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 3eb8_1_A DATA FIRST_RESID 53 DATA SEQUENCE AEKHSEKKLM DSFSPSLSQD KMDGEFAHAN IDGISIRLCL NKGICSVFYL DATA SEQUENCE DGDKIQSTQL SSKEYNNLLS SLPPKQFNLG KVHTITAPVS GNFKTHKPAP DATA SEQUENCE EVIETAINCC TSIIPNDDYF HVKDTDFNSV WHDIYRDIRA SDSNSTKIYF DATA SEQUENCE NNIEIPLKLI ADLINELGIN EFIDSKKELQ MLSYNQVNKI INSNFPQQDL DATA SEQUENCE CFQTEKLLFT SLFQDPAFIS ALTSAFWQSL HITSSSVEHI YAQIMSENIE DATA SEQUENCE NRLNFMPEQR VINNCGHIIK INAVXXXXXX XXXXXXXRAY EVSSSILPSH DATA SEQUENCE ITCNGVGINK IETSYLVHAG TLPSSEGLRN AIPPESRQVS FAIISPD 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 53 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 53 A C 0.000 177.200 177.584 -0.641 0.000 1.274 53 A CA 0.000 51.866 52.037 -0.285 0.000 0.836 53 A CB 0.000 18.973 19.000 -0.044 0.000 0.831 54 E N 0.561 120.579 120.200 -0.304 0.000 2.472 54 E HA -0.054 4.297 4.350 0.001 0.000 0.200 54 E C 1.235 177.685 176.600 -0.250 0.000 1.046 54 E CA 0.952 57.218 56.400 -0.225 0.000 0.871 54 E CB -0.013 29.620 29.700 -0.111 0.000 0.806 54 E HN 0.373 8.733 8.360 -0.000 0.000 0.533 55 K N -0.266 119.927 120.400 -0.346 0.000 2.166 55 K HA -0.021 4.299 4.320 0.001 0.000 0.201 55 K C 1.795 178.321 176.600 -0.125 0.000 1.052 55 K CA 0.802 56.981 56.287 -0.180 0.000 0.969 55 K CB -0.044 32.406 32.500 -0.084 0.000 0.761 55 K HN 0.323 8.573 8.250 -0.000 0.000 0.459 56 H N -0.890 118.187 119.070 0.011 0.000 2.326 56 H HA 0.066 4.622 4.556 0.001 0.000 0.301 56 H C 1.761 177.100 175.328 0.018 0.000 1.081 56 H CA 1.407 57.463 56.048 0.013 0.000 1.334 56 H CB -0.658 29.110 29.762 0.009 0.000 1.385 56 H HN -0.048 8.232 8.280 -0.000 0.000 0.504 57 S N 0.938 116.643 115.700 0.008 0.000 2.365 57 S HA -0.223 4.247 4.470 0.001 0.000 0.225 57 S C 2.098 176.716 174.600 0.030 0.000 1.039 57 S CA 1.620 59.836 58.200 0.026 0.000 1.033 57 S CB -0.222 62.972 63.200 -0.011 0.000 0.887 57 S HN 0.562 8.872 8.310 -0.000 0.000 0.447 58 E N 1.229 121.429 120.200 0.000 0.000 2.038 58 E HA -0.274 4.076 4.350 0.001 0.000 0.195 58 E C 1.939 178.570 176.600 0.051 0.000 1.000 58 E CA 1.672 58.086 56.400 0.024 0.000 0.803 58 E CB -0.118 29.579 29.700 -0.005 0.000 0.750 58 E HN 0.519 8.879 8.360 -0.000 0.000 0.448 59 K N 0.617 121.045 120.400 0.047 0.000 2.283 59 K HA -0.096 4.224 4.320 0.001 0.000 0.202 59 K C 2.024 178.668 176.600 0.074 0.000 1.048 59 K CA 1.127 57.448 56.287 0.058 0.000 0.948 59 K CB 0.109 32.641 32.500 0.053 0.000 0.742 59 K HN -0.093 8.157 8.250 -0.000 0.000 0.458 60 K N 0.657 121.103 120.400 0.076 0.000 2.062 60 K HA 0.071 4.392 4.320 0.001 0.000 0.205 60 K C 0.750 177.394 176.600 0.074 0.000 1.051 60 K CA 0.555 56.883 56.287 0.069 0.000 0.941 60 K CB -0.234 32.306 32.500 0.067 0.000 0.719 60 K HN 0.205 8.455 8.250 -0.000 0.000 0.440 61 L N 0.804 122.080 121.223 0.089 0.000 2.456 61 L HA -0.120 4.220 4.340 0.001 0.000 0.246 61 L C 1.418 178.418 176.870 0.216 0.000 1.238 61 L CA -0.170 54.748 54.840 0.129 0.000 0.826 61 L CB 0.051 42.200 42.059 0.150 0.000 1.150 61 L HN 0.186 8.416 8.230 -0.000 0.000 0.514 62 M N -1.826 118.051 119.600 0.461 0.000 2.828 62 M HA -0.304 4.176 4.480 0.001 0.000 0.155 62 M C 1.159 177.681 176.300 0.369 0.000 0.686 62 M CA 1.814 57.380 55.300 0.444 0.000 0.593 62 M CB -2.128 30.558 32.600 0.143 0.000 2.171 62 M HN 0.710 9.000 8.290 -0.000 0.000 0.262 63 D N 0.454 120.976 120.400 0.203 0.000 2.117 63 D HA 0.044 4.684 4.640 0.001 0.000 0.198 63 D C 1.745 178.118 176.300 0.121 0.000 0.982 63 D CA 1.767 55.851 54.000 0.141 0.000 0.828 63 D CB -0.208 40.639 40.800 0.077 0.000 0.967 63 D HN 0.527 8.897 8.370 -0.000 0.000 0.464 64 S N -0.059 115.683 115.700 0.070 0.000 2.461 64 S HA -0.150 4.321 4.470 0.001 0.000 0.246 64 S C 0.484 175.005 174.600 -0.133 0.000 1.007 64 S CA 0.397 58.564 58.200 -0.055 0.000 0.976 64 S CB -0.368 62.748 63.200 -0.139 0.000 0.763 64 S HN 0.165 8.475 8.310 -0.000 0.000 0.508 65 F N 1.953 121.901 119.950 -0.003 0.000 2.456 65 F HA 0.260 4.787 4.527 0.001 0.000 0.358 65 F C 0.746 176.559 175.800 0.020 0.000 1.095 65 F CA -0.110 57.880 58.000 -0.016 0.000 1.216 65 F CB 0.744 39.754 39.000 0.016 0.000 1.125 65 F HN -0.145 8.155 8.300 -0.000 0.000 0.549 66 S N 4.180 119.850 115.700 -0.049 0.000 2.568 66 S HA 0.513 4.983 4.470 0.001 0.000 0.293 66 S C -2.776 171.781 174.600 -0.071 0.000 1.089 66 S CA -1.685 56.435 58.200 -0.133 0.000 0.945 66 S CB 2.092 65.123 63.200 -0.282 0.000 1.077 66 S HN 0.181 8.491 8.310 -0.000 0.000 0.485 67 P HA 0.147 4.567 4.420 -0.000 0.000 0.266 67 P C -0.919 176.493 177.300 0.187 0.000 1.195 67 P CA -0.052 63.079 63.100 0.052 0.000 0.768 67 P CB 0.276 31.877 31.700 -0.165 0.000 0.838 68 S N 2.687 118.558 115.700 0.285 0.000 2.415 68 S HA 0.234 4.704 4.470 0.001 0.000 0.313 68 S C 1.183 175.883 174.600 0.167 0.000 1.067 68 S CA -0.399 57.975 58.200 0.291 0.000 1.099 68 S CB -0.336 63.020 63.200 0.259 0.000 0.991 68 S HN 0.330 8.640 8.310 -0.000 0.000 0.491 69 L N 1.433 122.730 121.223 0.123 0.000 2.470 69 L HA 0.129 4.469 4.340 0.001 0.000 0.219 69 L C 0.897 177.795 176.870 0.046 0.000 1.071 69 L CA -0.129 54.758 54.840 0.078 0.000 0.850 69 L CB -0.575 41.521 42.059 0.061 0.000 1.040 69 L HN 0.443 8.673 8.230 -0.000 0.000 0.475 70 S N 1.079 116.796 115.700 0.028 0.000 2.691 70 S HA -0.208 4.262 4.470 0.001 0.000 0.320 70 S C 0.877 175.473 174.600 -0.006 0.000 1.241 70 S CA 0.250 58.442 58.200 -0.014 0.000 1.028 70 S CB 0.344 63.501 63.200 -0.072 0.000 0.726 70 S HN 0.338 8.648 8.310 -0.000 0.000 0.488 71 Q N 0.578 120.371 119.800 -0.012 0.000 2.432 71 Q HA -0.055 4.286 4.340 0.001 0.000 0.205 71 Q C 0.073 176.061 176.000 -0.021 0.000 0.945 71 Q CA 0.876 56.674 55.803 -0.008 0.000 0.924 71 Q CB -0.017 28.718 28.738 -0.005 0.000 1.016 71 Q HN 0.888 9.158 8.270 -0.000 0.000 0.503 72 D N 0.365 120.743 120.400 -0.037 0.000 2.894 72 D HA 0.050 4.691 4.640 0.001 0.000 0.273 72 D C -0.244 176.015 176.300 -0.068 0.000 1.328 72 D CA -0.313 53.658 54.000 -0.049 0.000 0.845 72 D CB -0.198 40.571 40.800 -0.050 0.000 1.072 72 D HN 0.043 8.413 8.370 -0.000 0.000 0.484 73 K N -0.530 119.835 120.400 -0.059 0.000 2.090 73 K HA 0.437 4.757 4.320 0.001 0.000 0.249 73 K C 0.296 176.845 176.600 -0.085 0.000 0.995 73 K CA -0.810 55.435 56.287 -0.071 0.000 0.914 73 K CB 1.399 33.880 32.500 -0.032 0.000 1.057 73 K HN -0.043 8.207 8.250 -0.000 0.000 0.462 74 M N 1.172 120.695 119.600 -0.129 0.000 2.131 74 M HA -0.006 4.475 4.480 0.001 0.000 0.283 74 M C -0.332 175.893 176.300 -0.125 0.000 1.225 74 M CA 0.258 55.446 55.300 -0.187 0.000 1.153 74 M CB 0.094 32.477 32.600 -0.362 0.000 1.380 74 M HN 0.556 8.846 8.290 -0.000 0.000 0.458 75 D N 0.695 121.016 120.400 -0.131 0.000 2.383 75 D HA 0.307 4.948 4.640 0.001 0.000 0.252 75 D C 0.951 177.239 176.300 -0.020 0.000 1.166 75 D CA 1.296 55.261 54.000 -0.057 0.000 0.879 75 D CB 0.469 41.243 40.800 -0.044 0.000 1.164 75 D HN 0.795 9.165 8.370 -0.000 0.000 0.462 76 G N 2.429 111.248 108.800 0.031 0.000 2.184 76 G HA2 -0.354 3.606 3.960 0.001 0.000 0.264 76 G HA3 -0.354 3.606 3.960 0.001 0.000 0.264 76 G C 0.414 175.404 174.900 0.151 0.000 0.975 76 G CA 0.319 45.474 45.100 0.092 0.000 0.642 76 G HN 0.633 8.923 8.290 -0.000 0.000 0.536 77 E N 0.121 120.365 120.200 0.072 0.000 2.417 77 E HA 0.382 4.732 4.350 0.001 0.000 0.261 77 E C 1.147 177.842 176.600 0.157 0.000 1.000 77 E CA 0.085 56.512 56.400 0.046 0.000 0.919 77 E CB -0.041 29.638 29.700 -0.036 0.000 0.955 77 E HN 0.692 9.052 8.360 -0.000 0.000 0.455 78 F N 2.898 122.928 119.950 0.132 0.000 2.752 78 F HA 0.593 5.121 4.527 0.001 0.000 0.310 78 F C -0.078 175.905 175.800 0.305 0.000 1.097 78 F CA -0.131 57.986 58.000 0.194 0.000 1.238 78 F CB 0.466 39.572 39.000 0.178 0.000 1.061 78 F HN 0.366 8.666 8.300 -0.000 0.000 0.591 79 A N 0.917 123.528 122.820 -0.347 0.000 2.587 79 A HA 0.729 5.049 4.320 0.001 0.000 0.293 79 A C -1.485 176.131 177.584 0.053 0.000 1.087 79 A CA -0.403 51.629 52.037 -0.007 0.000 0.692 79 A CB 1.037 20.027 19.000 -0.015 0.000 1.291 79 A HN 0.568 8.718 8.150 -0.000 0.000 0.407 80 H N -0.721 118.424 119.070 0.124 0.000 3.012 80 H HA 0.847 5.404 4.556 0.001 0.000 0.367 80 H C -1.129 174.092 175.328 -0.178 0.000 1.211 80 H CA -0.509 55.538 56.048 -0.003 0.000 1.139 80 H CB 1.698 31.436 29.762 -0.040 0.000 1.838 80 H HN 1.317 9.597 8.280 -0.000 0.000 0.550 81 A N 2.559 125.184 122.820 -0.325 0.000 2.381 81 A HA 0.393 4.713 4.320 0.001 0.000 0.299 81 A C -1.260 176.201 177.584 -0.206 0.000 1.049 81 A CA -0.996 50.722 52.037 -0.532 0.000 0.715 81 A CB 1.082 19.278 19.000 -1.340 0.000 1.222 81 A HN 0.688 8.838 8.150 -0.000 0.000 0.428 82 N N 2.187 120.834 118.700 -0.089 0.000 2.518 82 N HA 0.460 5.201 4.740 0.001 0.000 0.254 82 N C -1.367 174.109 175.510 -0.056 0.000 0.979 82 N CA -0.008 53.017 53.050 -0.043 0.000 0.930 82 N CB 1.383 39.871 38.487 0.001 0.000 1.152 82 N HN 0.561 8.941 8.380 -0.000 0.000 0.505 83 I N 1.750 122.287 120.570 -0.054 0.000 2.405 83 I HA 0.124 4.295 4.170 0.001 0.000 0.280 83 I C -0.366 175.741 176.117 -0.016 0.000 1.027 83 I CA -0.538 60.740 61.300 -0.038 0.000 1.161 83 I CB 0.735 38.710 38.000 -0.042 0.000 1.300 83 I HN 0.277 8.487 8.210 -0.000 0.000 0.463 84 D N 5.682 126.075 120.400 -0.013 0.000 2.697 84 D HA -0.214 4.426 4.640 0.001 0.000 0.235 84 D C 1.085 177.384 176.300 -0.003 0.000 1.167 84 D CA 1.520 55.516 54.000 -0.007 0.000 0.656 84 D CB -0.934 39.864 40.800 -0.004 0.000 1.025 84 D HN 1.102 9.472 8.370 -0.000 0.000 0.419 85 G N -1.333 107.465 108.800 -0.003 0.000 2.259 85 G HA2 -0.270 3.691 3.960 0.001 0.000 0.217 85 G HA3 -0.270 3.691 3.960 0.001 0.000 0.217 85 G C 0.398 175.303 174.900 0.007 0.000 1.001 85 G CA 0.063 45.163 45.100 0.001 0.000 0.627 85 G HN 0.502 8.792 8.290 -0.000 0.000 0.501 86 I N 1.065 121.641 120.570 0.010 0.000 2.676 86 I HA 0.660 4.830 4.170 0.001 0.000 0.309 86 I C 0.085 176.209 176.117 0.011 0.000 0.990 86 I CA -0.686 60.629 61.300 0.025 0.000 1.168 86 I CB 1.897 39.921 38.000 0.041 0.000 1.343 86 I HN 0.171 8.381 8.210 -0.000 0.000 0.482 87 S N 4.522 120.239 115.700 0.028 0.000 2.575 87 S HA 0.680 5.150 4.470 0.001 0.000 0.278 87 S C -1.103 173.508 174.600 0.018 0.000 1.139 87 S CA -0.450 57.751 58.200 0.002 0.000 0.954 87 S CB 1.096 64.294 63.200 -0.003 0.000 1.054 87 S HN 0.332 8.642 8.310 -0.000 0.000 0.483 88 I N 4.670 125.221 120.570 -0.032 0.000 2.433 88 I HA 0.613 4.783 4.170 0.001 0.000 0.292 88 I C -0.162 175.969 176.117 0.022 0.000 1.001 88 I CA -0.507 60.776 61.300 -0.029 0.000 1.119 88 I CB 1.654 39.670 38.000 0.026 0.000 1.289 88 I HN 0.431 8.641 8.210 -0.000 0.000 0.438 89 R N 6.639 127.150 120.500 0.018 0.000 2.494 89 R HA 0.653 4.994 4.340 0.001 0.000 0.305 89 R C -1.235 175.063 176.300 -0.003 0.000 0.959 89 R CA -0.793 55.323 56.100 0.025 0.000 0.864 89 R CB 1.562 31.853 30.300 -0.016 0.000 1.159 89 R HN 0.545 8.815 8.270 -0.000 0.000 0.446 90 L N 2.691 123.804 121.223 -0.184 0.000 2.287 90 L HA 0.549 4.890 4.340 0.001 0.000 0.287 90 L C -0.400 176.216 176.870 -0.423 0.000 1.022 90 L CA -0.769 53.842 54.840 -0.382 0.000 0.814 90 L CB 1.506 43.077 42.059 -0.813 0.000 1.217 90 L HN 0.476 8.706 8.230 -0.000 0.000 0.420 91 C N 3.971 123.298 119.300 0.046 0.000 2.561 91 C HA 0.663 5.123 4.460 0.001 0.000 0.319 91 C C 0.064 175.239 174.990 0.308 0.000 1.198 91 C CA -0.840 58.306 59.018 0.213 0.000 1.665 91 C CB 1.777 29.634 27.740 0.196 0.000 2.258 91 C HN 0.637 8.867 8.230 -0.000 0.000 0.493 92 L N 3.547 124.952 121.223 0.303 0.000 2.322 92 L HA 0.518 4.859 4.340 0.001 0.000 0.281 92 L C -0.535 176.382 176.870 0.078 0.000 1.014 92 L CA -0.028 54.879 54.840 0.112 0.000 0.815 92 L CB 1.011 43.092 42.059 0.037 0.000 1.247 92 L HN 0.696 8.926 8.230 -0.000 0.000 0.421 93 N N 4.489 123.208 118.700 0.032 0.000 2.480 93 N HA 0.198 4.938 4.740 0.001 0.000 0.289 93 N C -0.974 174.541 175.510 0.009 0.000 1.073 93 N CA -0.657 52.413 53.050 0.033 0.000 0.885 93 N CB 2.177 40.694 38.487 0.050 0.000 1.421 93 N HN 0.502 8.882 8.380 -0.000 0.000 0.503 94 K N 0.914 121.321 120.400 0.012 0.000 3.148 94 K HA -0.245 4.075 4.320 0.001 0.000 0.267 94 K C 0.792 177.389 176.600 -0.004 0.000 0.996 94 K CA 0.794 57.085 56.287 0.006 0.000 0.737 94 K CB -1.441 31.063 32.500 0.007 0.000 1.308 94 K HN 1.087 9.337 8.250 -0.000 0.000 0.470 95 G N -0.213 108.581 108.800 -0.012 0.000 2.189 95 G HA2 -0.320 3.640 3.960 0.001 0.000 0.267 95 G HA3 -0.320 3.640 3.960 0.001 0.000 0.267 95 G C 0.256 175.106 174.900 -0.084 0.000 0.975 95 G CA 0.611 45.699 45.100 -0.019 0.000 0.644 95 G HN 0.455 8.745 8.290 -0.000 0.000 0.537 96 I N 0.757 121.269 120.570 -0.095 0.000 2.331 96 I HA 0.390 4.560 4.170 0.001 0.000 0.292 96 I C 0.823 176.810 176.117 -0.217 0.000 0.998 96 I CA -0.891 60.320 61.300 -0.148 0.000 1.267 96 I CB 1.554 39.512 38.000 -0.069 0.000 1.386 96 I HN 0.188 8.398 8.210 -0.000 0.000 0.476 97 C N 5.920 124.974 119.300 -0.409 0.000 2.347 97 C HA 0.566 5.026 4.460 0.001 0.000 0.353 97 C C 0.458 175.366 174.990 -0.137 0.000 1.273 97 C CA -0.048 58.760 59.018 -0.350 0.000 1.861 97 C CB -0.444 26.832 27.740 -0.774 0.000 2.420 97 C HN 0.819 9.049 8.230 -0.000 0.000 0.542 98 S N 3.638 119.319 115.700 -0.030 0.000 2.568 98 S HA 0.715 5.186 4.470 0.001 0.000 0.302 98 S C -0.829 173.722 174.600 -0.081 0.000 1.082 98 S CA -0.565 57.586 58.200 -0.081 0.000 1.009 98 S CB 1.783 64.927 63.200 -0.093 0.000 1.069 98 S HN 0.686 8.996 8.310 -0.000 0.000 0.500 99 V N 2.824 122.594 119.914 -0.240 0.000 2.417 99 V HA 0.529 4.649 4.120 0.001 0.000 0.291 99 V C -1.273 174.514 176.094 -0.511 0.000 1.024 99 V CA -0.560 61.569 62.300 -0.285 0.000 0.861 99 V CB 0.730 32.378 31.823 -0.292 0.000 0.985 99 V HN 0.762 8.952 8.190 -0.000 0.000 0.436 100 F N 3.794 123.543 119.950 -0.335 0.000 2.444 100 F HA 0.605 5.132 4.527 0.001 0.000 0.342 100 F C -0.408 175.188 175.800 -0.339 0.000 1.121 100 F CA -0.677 57.188 58.000 -0.224 0.000 0.997 100 F CB 1.483 40.422 39.000 -0.101 0.000 1.130 100 F HN 0.376 8.676 8.300 -0.000 0.000 0.454 101 Y N 4.134 124.524 120.300 0.150 0.000 2.369 101 Y HA 0.508 5.059 4.550 0.000 0.000 0.337 101 Y C -0.806 175.150 175.900 0.092 0.000 0.961 101 Y CA -0.976 57.182 58.100 0.097 0.000 1.186 101 Y CB 0.908 39.397 38.460 0.049 0.000 1.139 101 Y HN 0.262 8.542 8.280 -0.000 0.000 0.494 102 L N 4.310 125.643 121.223 0.184 0.000 2.283 102 L HA 0.266 4.606 4.340 0.001 0.000 0.281 102 L C -0.281 176.644 176.870 0.092 0.000 1.033 102 L CA -0.484 54.427 54.840 0.118 0.000 0.848 102 L CB 0.659 42.759 42.059 0.068 0.000 1.226 102 L HN 0.529 8.759 8.230 -0.000 0.000 0.429 103 D N 2.554 123.004 120.400 0.084 0.000 2.499 103 D HA 0.434 5.074 4.640 0.001 0.000 0.225 103 D C 1.239 177.562 176.300 0.038 0.000 1.124 103 D CA 0.671 54.704 54.000 0.054 0.000 0.938 103 D CB 0.742 41.569 40.800 0.047 0.000 1.014 103 D HN 0.676 9.046 8.370 -0.000 0.000 0.517 104 G N 4.545 113.362 108.800 0.029 0.000 4.236 104 G HA2 -0.390 3.570 3.960 0.001 0.000 0.222 104 G HA3 -0.390 3.570 3.960 0.001 0.000 0.222 104 G C 0.666 175.578 174.900 0.019 0.000 1.354 104 G CA 1.049 46.160 45.100 0.018 0.000 0.966 104 G HN 0.609 8.899 8.290 -0.000 0.000 0.624 105 D N -1.114 119.301 120.400 0.026 0.000 2.475 105 D HA 0.170 4.810 4.640 0.001 0.000 0.306 105 D C 1.433 177.755 176.300 0.035 0.000 1.304 105 D CA 0.747 54.763 54.000 0.025 0.000 0.862 105 D CB -0.524 40.287 40.800 0.017 0.000 1.306 105 D HN 0.514 8.884 8.370 -0.000 0.000 0.494 106 K N 1.053 121.479 120.400 0.043 0.000 1.973 106 K HA 0.175 4.495 4.320 0.001 0.000 0.210 106 K C 0.342 176.985 176.600 0.071 0.000 1.045 106 K CA 1.051 57.368 56.287 0.050 0.000 0.937 106 K CB 0.007 32.536 32.500 0.048 0.000 0.721 106 K HN 0.068 8.318 8.250 -0.000 0.000 0.438 107 I N 2.268 122.898 120.570 0.101 0.000 7.686 107 I HA -0.290 3.880 4.170 0.001 0.000 0.126 107 I C -0.942 175.267 176.117 0.153 0.000 1.840 107 I CA 0.159 61.547 61.300 0.148 0.000 2.048 107 I CB -1.184 36.898 38.000 0.136 0.000 3.688 107 I HN 0.388 8.598 8.210 -0.000 0.000 0.172 108 Q N 4.153 124.057 119.800 0.173 0.000 2.297 108 Q HA 0.862 5.202 4.340 0.001 0.000 0.269 108 Q C -0.064 176.000 176.000 0.107 0.000 1.051 108 Q CA -0.634 55.245 55.803 0.127 0.000 0.869 108 Q CB 2.592 31.388 28.738 0.097 0.000 1.346 108 Q HN 0.650 8.920 8.270 -0.000 0.000 0.457 109 S N -0.529 115.145 115.700 -0.044 0.000 2.618 109 S HA 0.836 5.307 4.470 0.001 0.000 0.277 109 S C -0.941 173.555 174.600 -0.174 0.000 1.138 109 S CA -0.707 57.299 58.200 -0.323 0.000 0.844 109 S CB 2.104 64.782 63.200 -0.870 0.000 1.127 109 S HN 0.461 8.771 8.310 -0.000 0.000 0.474 110 T N 1.426 115.849 114.554 -0.218 0.000 2.993 110 T HA 0.429 4.779 4.350 0.001 0.000 0.312 110 T C -1.545 173.075 174.700 -0.135 0.000 1.115 110 T CA -0.525 61.517 62.100 -0.097 0.000 1.027 110 T CB 1.828 70.716 68.868 0.034 0.000 1.116 110 T HN 0.712 8.952 8.240 -0.000 0.000 0.464 111 Q N 3.104 122.849 119.800 -0.092 0.000 2.278 111 Q HA 0.547 4.887 4.340 0.001 0.000 0.257 111 Q C -0.912 175.063 176.000 -0.040 0.000 0.928 111 Q CA -0.643 55.115 55.803 -0.076 0.000 0.932 111 Q CB 0.650 29.353 28.738 -0.059 0.000 1.221 111 Q HN 0.573 8.843 8.270 -0.000 0.000 0.434 112 L N 2.672 123.872 121.223 -0.037 0.000 2.350 112 L HA 0.338 4.679 4.340 0.001 0.000 0.275 112 L C 0.679 177.557 176.870 0.013 0.000 1.099 112 L CA -0.651 54.191 54.840 0.004 0.000 0.808 112 L CB 1.207 43.291 42.059 0.041 0.000 1.149 112 L HN 0.706 8.936 8.230 -0.000 0.000 0.442 113 S N 0.357 116.076 115.700 0.032 0.000 2.596 113 S HA 0.006 4.476 4.470 0.001 0.000 0.260 113 S C 1.310 175.962 174.600 0.085 0.000 1.336 113 S CA -0.106 58.118 58.200 0.041 0.000 0.993 113 S CB 1.309 64.529 63.200 0.032 0.000 0.923 113 S HN 0.777 9.087 8.310 -0.000 0.000 0.567 114 S N 0.778 116.531 115.700 0.089 0.000 2.400 114 S HA -0.230 4.240 4.470 0.001 0.000 0.232 114 S C 1.741 176.413 174.600 0.120 0.000 1.025 114 S CA 1.469 59.754 58.200 0.142 0.000 0.993 114 S CB -0.671 62.593 63.200 0.107 0.000 0.808 114 S HN 0.852 9.162 8.310 -0.000 0.000 0.478 115 K N 1.043 121.484 120.400 0.070 0.000 2.001 115 K HA -0.099 4.222 4.320 0.001 0.000 0.208 115 K C 2.114 178.735 176.600 0.034 0.000 1.048 115 K CA 1.629 57.939 56.287 0.037 0.000 0.932 115 K CB -0.320 32.194 32.500 0.023 0.000 0.715 115 K HN 0.590 8.840 8.250 -0.000 0.000 0.437 116 E N -0.520 119.712 120.200 0.052 0.000 2.204 116 E HA -0.225 4.125 4.350 0.001 0.000 0.195 116 E C 1.813 178.460 176.600 0.079 0.000 0.990 116 E CA 1.035 57.464 56.400 0.047 0.000 0.821 116 E CB -0.212 29.516 29.700 0.047 0.000 0.750 116 E HN 0.404 8.764 8.360 -0.000 0.000 0.477 117 Y N 1.901 122.179 120.300 -0.036 0.000 2.286 117 Y HA -0.009 4.541 4.550 0.000 0.000 0.293 117 Y C 1.659 177.504 175.900 -0.092 0.000 1.124 117 Y CA 0.953 59.018 58.100 -0.058 0.000 1.178 117 Y CB -0.046 38.391 38.460 -0.038 0.000 1.010 117 Y HN -0.072 8.208 8.280 -0.000 0.000 0.536 118 N N 0.492 119.064 118.700 -0.215 0.000 2.270 118 N HA -0.191 4.550 4.740 0.001 0.000 0.181 118 N C 1.667 177.048 175.510 -0.214 0.000 1.016 118 N CA 0.917 53.784 53.050 -0.306 0.000 0.870 118 N CB -0.482 37.922 38.487 -0.138 0.000 0.979 118 N HN 0.522 8.902 8.380 -0.000 0.000 0.431 119 N N 1.664 120.291 118.700 -0.122 0.000 2.084 119 N HA -0.133 4.607 4.740 0.001 0.000 0.190 119 N C 1.941 177.377 175.510 -0.123 0.000 1.030 119 N CA 0.636 53.630 53.050 -0.094 0.000 0.849 119 N CB -0.031 38.426 38.487 -0.049 0.000 1.012 119 N HN 0.213 8.593 8.380 -0.000 0.000 0.423 120 L N 1.178 122.323 121.223 -0.129 0.000 2.046 120 L HA -0.128 4.212 4.340 0.001 0.000 0.208 120 L C 2.373 179.100 176.870 -0.238 0.000 1.077 120 L CA 0.962 55.710 54.840 -0.152 0.000 0.747 120 L CB -0.279 41.738 42.059 -0.071 0.000 0.896 120 L HN 0.192 8.422 8.230 -0.000 0.000 0.432 121 L N -0.283 120.732 121.223 -0.347 0.000 2.079 121 L HA -0.216 4.125 4.340 0.001 0.000 0.210 121 L C 2.796 179.518 176.870 -0.246 0.000 1.081 121 L CA 1.583 56.188 54.840 -0.392 0.000 0.752 121 L CB -0.690 41.004 42.059 -0.608 0.000 0.896 121 L HN 0.512 8.742 8.230 -0.000 0.000 0.433 122 S N -1.412 114.173 115.700 -0.192 0.000 2.481 122 S HA -0.102 4.368 4.470 0.001 0.000 0.231 122 S C 1.883 176.427 174.600 -0.093 0.000 0.996 122 S CA 0.830 58.959 58.200 -0.120 0.000 0.942 122 S CB -0.240 62.903 63.200 -0.094 0.000 0.768 122 S HN 0.513 8.823 8.310 -0.000 0.000 0.520 123 S N 0.518 116.151 115.700 -0.112 0.000 2.535 123 S HA 0.376 4.847 4.470 0.001 0.000 0.214 123 S C 0.510 175.060 174.600 -0.085 0.000 0.980 123 S CA -0.681 57.469 58.200 -0.083 0.000 0.907 123 S CB -0.581 62.571 63.200 -0.081 0.000 0.790 123 S HN 0.458 8.768 8.310 -0.000 0.000 0.510 124 L N 2.290 123.436 121.223 -0.129 0.000 2.467 124 L HA 0.341 4.682 4.340 0.001 0.000 0.270 124 L C -2.185 174.714 176.870 0.048 0.000 1.205 124 L CA -2.000 52.781 54.840 -0.099 0.000 0.828 124 L CB -0.037 41.877 42.059 -0.241 0.000 1.101 124 L HN 0.095 8.325 8.230 -0.000 0.000 0.479 125 P HA 0.125 4.545 4.420 -0.000 0.000 0.274 125 P C -2.493 174.910 177.300 0.172 0.000 1.246 125 P CA -1.647 61.540 63.100 0.145 0.000 0.795 125 P CB -0.269 31.526 31.700 0.158 0.000 1.006 126 P HA 0.069 4.489 4.420 -0.000 0.000 0.244 126 P C -0.531 176.793 177.300 0.039 0.000 1.723 126 P CA 0.694 63.831 63.100 0.063 0.000 1.110 126 P CB -0.194 31.515 31.700 0.015 0.000 1.972 127 K N 1.279 121.721 120.400 0.069 0.000 2.400 127 K HA 0.368 4.689 4.320 0.001 0.000 0.246 127 K C 0.033 176.514 176.600 -0.199 0.000 0.995 127 K CA -0.922 55.278 56.287 -0.145 0.000 0.840 127 K CB 1.884 34.165 32.500 -0.366 0.000 1.293 127 K HN 0.185 8.435 8.250 -0.000 0.000 0.445 128 Q N 1.515 121.145 119.800 -0.284 0.000 2.349 128 Q HA 0.283 4.624 4.340 0.001 0.000 0.254 128 Q C -1.115 174.717 176.000 -0.280 0.000 0.980 128 Q CA -0.092 55.619 55.803 -0.153 0.000 0.924 128 Q CB 0.325 29.025 28.738 -0.064 0.000 1.209 128 Q HN 0.276 8.546 8.270 -0.000 0.000 0.445 129 F N 0.887 120.892 119.950 0.093 0.000 2.470 129 F HA 0.228 4.755 4.527 0.001 0.000 0.329 129 F C 0.941 176.800 175.800 0.097 0.000 1.072 129 F CA -0.985 57.097 58.000 0.138 0.000 0.989 129 F CB 1.081 40.196 39.000 0.192 0.000 1.193 129 F HN 0.427 8.727 8.300 -0.000 0.000 0.481 130 N N 3.270 122.163 118.700 0.322 0.000 2.605 130 N HA 0.134 4.874 4.740 0.001 0.000 0.258 130 N C 0.442 175.994 175.510 0.069 0.000 1.156 130 N CA 0.081 53.244 53.050 0.188 0.000 1.008 130 N CB 0.239 38.838 38.487 0.186 0.000 1.354 130 N HN 0.638 9.018 8.380 -0.000 0.000 0.509 131 L N 1.014 122.249 121.223 0.020 0.000 2.529 131 L HA 0.188 4.528 4.340 0.001 0.000 0.223 131 L C 1.588 178.468 176.870 0.017 0.000 1.113 131 L CA 0.167 54.952 54.840 -0.092 0.000 0.861 131 L CB -0.055 41.990 42.059 -0.023 0.000 1.012 131 L HN 0.537 8.767 8.230 -0.000 0.000 0.461 132 G N 1.565 110.391 108.800 0.042 0.000 2.203 132 G HA2 -0.339 3.621 3.960 0.001 0.000 0.263 132 G HA3 -0.339 3.621 3.960 0.001 0.000 0.263 132 G C 0.168 175.082 174.900 0.023 0.000 1.012 132 G CA 0.909 46.029 45.100 0.035 0.000 0.749 132 G HN 0.457 8.747 8.290 -0.000 0.000 0.512 133 K N -0.986 119.434 120.400 0.033 0.000 2.592 133 K HA 0.378 4.698 4.320 0.001 0.000 0.259 133 K C -0.584 175.990 176.600 -0.042 0.000 0.937 133 K CA -0.818 55.439 56.287 -0.051 0.000 0.874 133 K CB 1.238 33.663 32.500 -0.126 0.000 1.339 133 K HN 0.220 8.470 8.250 -0.000 0.000 0.425 134 V N 5.404 125.263 119.914 -0.091 0.000 2.439 134 V HA 0.188 4.309 4.120 0.001 0.000 0.271 134 V C 0.327 176.352 176.094 -0.116 0.000 1.040 134 V CA -0.104 62.178 62.300 -0.029 0.000 1.002 134 V CB 0.272 32.072 31.823 -0.039 0.000 1.000 134 V HN 0.624 8.814 8.190 -0.000 0.000 0.477 135 H N 2.524 121.582 119.070 -0.021 0.000 2.508 135 H HA 0.407 4.963 4.556 0.000 0.000 0.344 135 H C -0.155 175.149 175.328 -0.039 0.000 1.192 135 H CA -0.377 55.642 56.048 -0.048 0.000 1.290 135 H CB 1.916 31.618 29.762 -0.101 0.000 1.571 135 H HN 0.500 8.780 8.280 -0.000 0.000 0.555 136 T N 3.722 118.323 114.554 0.078 0.000 2.770 136 T HA 0.258 4.608 4.350 0.001 0.000 0.283 136 T C 0.310 175.025 174.700 0.024 0.000 0.988 136 T CA -0.666 61.458 62.100 0.039 0.000 0.957 136 T CB 0.307 69.192 68.868 0.028 0.000 0.930 136 T HN 0.227 8.467 8.240 -0.000 0.000 0.443 137 I N 3.565 124.139 120.570 0.007 0.000 2.336 137 I HA 0.256 4.426 4.170 0.001 0.000 0.292 137 I C 0.884 176.992 176.117 -0.014 0.000 0.991 137 I CA -0.618 60.672 61.300 -0.018 0.000 1.227 137 I CB 0.924 38.909 38.000 -0.025 0.000 1.366 137 I HN 0.515 8.725 8.210 -0.000 0.000 0.466 138 T N 6.006 120.547 114.554 -0.022 0.000 2.794 138 T HA 0.506 4.857 4.350 0.001 0.000 0.296 138 T C 0.488 175.172 174.700 -0.026 0.000 0.949 138 T CA -0.360 61.726 62.100 -0.023 0.000 1.101 138 T CB 1.008 69.860 68.868 -0.026 0.000 0.905 138 T HN 0.725 8.965 8.240 -0.000 0.000 0.516 139 A N 5.020 127.825 122.820 -0.025 0.000 2.293 139 A HA 0.616 4.936 4.320 0.001 0.000 0.302 139 A C -2.190 175.375 177.584 -0.031 0.000 1.119 139 A CA -1.913 50.109 52.037 -0.026 0.000 0.823 139 A CB 0.158 19.144 19.000 -0.024 0.000 1.097 139 A HN 0.493 8.643 8.150 -0.000 0.000 0.491 140 P HA 0.284 4.704 4.420 -0.000 0.000 0.225 140 P C -0.947 176.333 177.300 -0.033 0.000 1.768 140 P CA 0.292 63.375 63.100 -0.028 0.000 0.943 140 P CB -0.581 31.106 31.700 -0.022 0.000 1.936 141 V N -2.719 117.169 119.914 -0.043 0.000 3.178 141 V HA 0.615 4.735 4.120 0.001 0.000 0.302 141 V C -0.320 175.733 176.094 -0.069 0.000 1.262 141 V CA -1.284 60.985 62.300 -0.052 0.000 1.030 141 V CB 1.882 33.672 31.823 -0.055 0.000 1.074 141 V HN 0.143 8.333 8.190 -0.000 0.000 0.438 142 S N 0.882 116.535 115.700 -0.079 0.000 2.499 142 S HA 0.772 5.243 4.470 0.001 0.000 0.279 142 S C 0.442 174.957 174.600 -0.142 0.000 1.219 142 S CA 0.002 58.139 58.200 -0.105 0.000 1.062 142 S CB 1.151 64.294 63.200 -0.095 0.000 0.978 142 S HN 1.714 10.024 8.310 -0.000 0.000 0.489 143 G N 1.691 110.372 108.800 -0.199 0.000 2.599 143 G HA2 0.484 4.444 3.960 0.001 0.000 0.264 143 G HA3 0.484 4.444 3.960 0.001 0.000 0.264 143 G C -0.251 174.433 174.900 -0.360 0.000 1.200 143 G CA -0.798 44.138 45.100 -0.273 0.000 0.896 143 G HN 0.948 9.238 8.290 -0.000 0.000 0.536 144 N N -1.648 116.813 118.700 -0.399 0.000 2.732 144 N HA 0.281 5.021 4.740 0.001 0.000 0.259 144 N C -1.058 174.186 175.510 -0.443 0.000 1.402 144 N CA -0.881 51.905 53.050 -0.441 0.000 0.829 144 N CB 1.218 39.589 38.487 -0.193 0.000 1.495 144 N HN 0.315 8.695 8.380 -0.000 0.000 0.511 145 F N -0.335 119.605 119.950 -0.016 0.000 2.647 145 F HA 0.392 4.919 4.527 -0.000 0.000 0.300 145 F C 1.045 176.858 175.800 0.023 0.000 1.106 145 F CA -0.361 57.644 58.000 0.009 0.000 1.313 145 F CB 0.543 39.564 39.000 0.035 0.000 1.007 145 F HN 0.257 8.557 8.300 -0.000 0.000 0.536 146 K N 0.185 120.660 120.400 0.124 0.000 2.514 146 K HA 0.235 4.555 4.320 0.001 0.000 0.207 146 K C -0.099 176.548 176.600 0.078 0.000 1.035 146 K CA 0.061 56.407 56.287 0.099 0.000 1.113 146 K CB 0.725 33.267 32.500 0.070 0.000 0.846 146 K HN -0.004 8.246 8.250 -0.000 0.000 0.491 147 T N -0.004 114.588 114.554 0.063 0.000 2.924 147 T HA 0.175 4.525 4.350 0.001 0.000 0.291 147 T C 0.507 175.240 174.700 0.054 0.000 1.045 147 T CA -0.797 61.318 62.100 0.025 0.000 1.015 147 T CB 1.179 70.001 68.868 -0.076 0.000 1.103 147 T HN 0.323 8.563 8.240 -0.000 0.000 0.496 148 H N 0.192 119.280 119.070 0.030 0.000 2.652 148 H HA 0.370 4.926 4.556 0.000 0.000 0.274 148 H C 0.034 175.379 175.328 0.028 0.000 1.021 148 H CA -0.470 55.597 56.048 0.032 0.000 1.187 148 H CB 0.543 30.320 29.762 0.025 0.000 1.505 148 H HN 0.587 8.867 8.280 -0.000 0.000 0.530 149 K N 0.332 120.529 120.400 -0.339 0.000 2.536 149 K HA 0.536 4.856 4.320 0.001 0.000 0.269 149 K C -3.554 172.959 176.600 -0.144 0.000 0.965 149 K CA -2.145 54.016 56.287 -0.211 0.000 0.860 149 K CB 2.186 34.517 32.500 -0.282 0.000 1.423 149 K HN -0.237 8.013 8.250 -0.000 0.000 0.438 150 P HA 0.042 4.462 4.420 -0.000 0.000 0.269 150 P C -0.685 176.574 177.300 -0.069 0.000 1.209 150 P CA -0.178 62.889 63.100 -0.054 0.000 0.776 150 P CB 0.696 32.382 31.700 -0.024 0.000 0.876 151 A N 5.189 127.971 122.820 -0.064 0.000 2.406 151 A HA 0.235 4.555 4.320 0.001 0.000 0.243 151 A C -1.223 176.339 177.584 -0.037 0.000 1.082 151 A CA -0.748 51.255 52.037 -0.057 0.000 0.786 151 A CB -1.057 17.909 19.000 -0.057 0.000 1.029 151 A HN 0.420 8.570 8.150 -0.000 0.000 0.495 152 P HA -0.173 4.247 4.420 -0.000 0.000 0.216 152 P C 0.809 178.103 177.300 -0.010 0.000 1.150 152 P CA 1.710 64.802 63.100 -0.014 0.000 0.843 152 P CB 0.131 31.826 31.700 -0.009 0.000 0.787 153 E N -0.837 119.353 120.200 -0.016 0.000 2.110 153 E HA -0.107 4.243 4.350 0.001 0.000 0.193 153 E C 2.041 178.633 176.600 -0.014 0.000 0.988 153 E CA 0.776 57.168 56.400 -0.015 0.000 0.804 153 E CB -1.236 28.452 29.700 -0.020 0.000 0.745 153 E HN 0.026 8.386 8.360 -0.000 0.000 0.458 154 V N 0.740 120.643 119.914 -0.019 0.000 2.295 154 V HA -0.248 3.872 4.120 0.001 0.000 0.246 154 V C 2.126 178.215 176.094 -0.008 0.000 1.049 154 V CA 1.568 63.859 62.300 -0.015 0.000 1.024 154 V CB -0.374 31.438 31.823 -0.019 0.000 0.648 154 V HN 0.246 8.436 8.190 -0.000 0.000 0.447 155 I N 0.039 120.605 120.570 -0.007 0.000 2.163 155 I HA -0.290 3.880 4.170 0.001 0.000 0.243 155 I C 2.606 178.727 176.117 0.006 0.000 1.085 155 I CA 2.068 63.368 61.300 0.000 0.000 1.347 155 I CB -0.321 37.681 38.000 0.003 0.000 1.044 155 I HN 0.377 8.587 8.210 -0.000 0.000 0.408 156 E N 0.720 120.925 120.200 0.007 0.000 2.058 156 E HA -0.208 4.142 4.350 0.001 0.000 0.194 156 E C 2.056 178.660 176.600 0.005 0.000 0.997 156 E CA 2.338 58.745 56.400 0.011 0.000 0.801 156 E CB -0.317 29.389 29.700 0.010 0.000 0.746 156 E HN 0.347 8.707 8.360 -0.000 0.000 0.450 157 T N 0.367 114.920 114.554 -0.001 0.000 2.684 157 T HA -0.182 4.169 4.350 0.001 0.000 0.267 157 T C 1.841 176.539 174.700 -0.005 0.000 1.036 157 T CA 1.701 63.798 62.100 -0.005 0.000 1.148 157 T CB -0.633 68.229 68.868 -0.010 0.000 0.863 157 T HN 0.384 8.624 8.240 -0.000 0.000 0.436 158 A N 1.085 123.902 122.820 -0.005 0.000 1.902 158 A HA -0.025 4.295 4.320 0.001 0.000 0.217 158 A C 2.305 179.885 177.584 -0.006 0.000 1.181 158 A CA 1.210 53.242 52.037 -0.009 0.000 0.623 158 A CB -0.822 18.170 19.000 -0.013 0.000 0.818 158 A HN 0.528 8.678 8.150 -0.000 0.000 0.443 159 I N -0.317 120.255 120.570 0.003 0.000 2.208 159 I HA -0.286 3.884 4.170 0.001 0.000 0.245 159 I C 1.385 177.504 176.117 0.004 0.000 1.097 159 I CA 1.762 63.069 61.300 0.012 0.000 1.363 159 I CB -0.368 37.652 38.000 0.033 0.000 1.051 159 I HN 0.419 8.629 8.210 -0.000 0.000 0.413 160 N N -0.580 118.122 118.700 0.002 0.000 2.230 160 N HA 0.079 4.819 4.740 0.001 0.000 0.202 160 N C 0.095 175.610 175.510 0.009 0.000 1.119 160 N CA -0.293 52.758 53.050 0.001 0.000 0.851 160 N CB 0.367 38.854 38.487 -0.001 0.000 0.990 160 N HN 0.397 8.777 8.380 -0.000 0.000 0.497 161 C N 0.266 119.571 119.300 0.008 0.000 2.398 161 C HA 0.681 5.142 4.460 0.001 0.000 0.364 161 C C 1.619 176.635 174.990 0.044 0.000 1.219 161 C CA -1.936 57.091 59.018 0.015 0.000 2.312 161 C CB -0.403 27.337 27.740 0.000 0.000 2.428 161 C HN 0.481 8.711 8.230 -0.000 0.000 0.564 162 C N 3.658 123.005 119.300 0.077 0.000 2.639 162 C HA 0.841 5.301 4.460 0.001 0.000 0.360 162 C C 0.788 175.856 174.990 0.130 0.000 1.351 162 C CA 0.481 59.601 59.018 0.171 0.000 2.408 162 C CB -0.337 27.585 27.740 0.303 0.000 2.517 162 C HN 1.221 9.451 8.230 -0.000 0.000 0.696 163 T N -1.168 113.489 114.554 0.172 0.000 2.865 163 T HA 0.587 4.938 4.350 0.001 0.000 0.294 163 T C -0.644 174.166 174.700 0.184 0.000 1.119 163 T CA -0.340 61.842 62.100 0.137 0.000 1.007 163 T CB 1.315 70.234 68.868 0.085 0.000 1.225 163 T HN 1.147 9.387 8.240 -0.000 0.000 0.515 164 S N 0.189 115.996 115.700 0.178 0.000 2.437 164 S HA 0.574 5.045 4.470 0.001 0.000 0.305 164 S C -0.168 174.531 174.600 0.165 0.000 1.109 164 S CA -0.930 57.374 58.200 0.172 0.000 1.099 164 S CB -0.348 62.949 63.200 0.160 0.000 1.004 164 S HN 0.606 8.916 8.310 -0.000 0.000 0.475 165 I N 5.155 125.809 120.570 0.141 0.000 2.618 165 I HA 0.124 4.295 4.170 0.001 0.000 0.284 165 I C -0.006 176.175 176.117 0.106 0.000 1.146 165 I CA -0.287 61.087 61.300 0.124 0.000 1.425 165 I CB 0.455 38.515 38.000 0.100 0.000 1.383 165 I HN 0.480 8.690 8.210 -0.000 0.000 0.562 166 I N 8.853 129.492 120.570 0.115 0.000 2.322 166 I HA 0.234 4.404 4.170 0.001 0.000 0.292 166 I C -2.059 174.091 176.117 0.055 0.000 1.060 166 I CA -2.802 58.536 61.300 0.063 0.000 1.309 166 I CB -0.096 37.940 38.000 0.061 0.000 1.415 166 I HN 0.203 8.413 8.210 -0.000 0.000 0.492 167 P HA 0.090 4.510 4.420 -0.000 0.000 0.267 167 P C -0.313 177.002 177.300 0.026 0.000 1.209 167 P CA 0.109 63.231 63.100 0.037 0.000 0.763 167 P CB 0.366 32.083 31.700 0.029 0.000 0.816 168 N N 2.895 121.621 118.700 0.043 0.000 3.112 168 N HA 0.071 4.811 4.740 0.001 0.000 0.270 168 N C 0.024 175.606 175.510 0.119 0.000 1.385 168 N CA -0.089 52.991 53.050 0.050 0.000 0.986 168 N CB 0.374 38.897 38.487 0.059 0.000 1.261 168 N HN 0.321 8.701 8.380 -0.000 0.000 0.495 169 D N -0.357 120.080 120.400 0.062 0.000 2.183 169 D HA -0.093 4.547 4.640 0.001 0.000 0.205 169 D C 0.012 176.291 176.300 -0.036 0.000 0.962 169 D CA 0.823 54.865 54.000 0.070 0.000 0.849 169 D CB 0.088 40.899 40.800 0.018 0.000 0.978 169 D HN 0.472 8.842 8.370 -0.000 0.000 0.488 170 D N 0.590 120.918 120.400 -0.120 0.000 2.943 170 D HA 0.074 4.715 4.640 0.001 0.000 0.249 170 D C -0.118 175.963 176.300 -0.366 0.000 1.231 170 D CA -0.814 53.027 54.000 -0.265 0.000 0.979 170 D CB -0.989 39.697 40.800 -0.190 0.000 1.053 170 D HN 0.232 8.602 8.370 -0.000 0.000 0.504 171 Y N -1.106 119.058 120.300 -0.227 0.000 2.336 171 Y HA 0.468 5.019 4.550 0.000 0.000 0.331 171 Y C -0.169 175.567 175.900 -0.273 0.000 1.211 171 Y CA -1.766 56.159 58.100 -0.291 0.000 1.346 171 Y CB 0.233 38.612 38.460 -0.135 0.000 1.271 171 Y HN -0.125 8.155 8.280 -0.000 0.000 0.538 172 F N 1.503 121.481 119.950 0.046 0.000 2.450 172 F HA 0.228 4.756 4.527 0.001 0.000 0.339 172 F C 0.643 176.465 175.800 0.037 0.000 1.146 172 F CA -0.771 57.197 58.000 -0.054 0.000 1.267 172 F CB -0.033 38.980 39.000 0.022 0.000 1.178 172 F HN 0.628 8.928 8.300 -0.000 0.000 0.585 173 H N -0.486 118.787 119.070 0.338 0.000 2.607 173 H HA 0.341 4.897 4.556 0.001 0.000 0.367 173 H C -0.395 175.055 175.328 0.203 0.000 1.181 173 H CA -0.886 55.312 56.048 0.249 0.000 1.402 173 H CB 0.581 30.434 29.762 0.152 0.000 1.474 173 H HN 0.258 8.538 8.280 -0.000 0.000 0.596 174 V N 2.552 122.649 119.914 0.305 0.000 2.617 174 V HA -0.057 4.063 4.120 0.001 0.000 0.304 174 V C 0.277 176.457 176.094 0.143 0.000 1.040 174 V CA 0.604 63.018 62.300 0.190 0.000 1.149 174 V CB -0.070 31.837 31.823 0.139 0.000 0.914 174 V HN 0.666 8.856 8.190 -0.000 0.000 0.487 175 K N 2.852 123.311 120.400 0.099 0.000 2.267 175 K HA 0.384 4.704 4.320 0.001 0.000 0.246 175 K C 0.168 176.782 176.600 0.023 0.000 0.954 175 K CA -0.911 55.409 56.287 0.055 0.000 0.824 175 K CB 1.490 34.012 32.500 0.036 0.000 1.167 175 K HN 0.450 8.700 8.250 -0.000 0.000 0.431 176 D N 0.630 121.035 120.400 0.008 0.000 2.311 176 D HA -0.127 4.513 4.640 0.001 0.000 0.212 176 D C 1.375 177.658 176.300 -0.028 0.000 0.972 176 D CA 1.482 55.477 54.000 -0.009 0.000 0.887 176 D CB -0.034 40.761 40.800 -0.008 0.000 0.915 176 D HN 0.677 9.047 8.370 -0.000 0.000 0.497 177 T N -2.503 112.037 114.554 -0.022 0.000 3.081 177 T HA 0.009 4.359 4.350 0.001 0.000 0.250 177 T C 0.442 175.095 174.700 -0.079 0.000 1.100 177 T CA -0.491 61.591 62.100 -0.029 0.000 1.038 177 T CB 0.155 69.027 68.868 0.007 0.000 0.962 177 T HN -0.204 8.036 8.240 -0.000 0.000 0.516 178 D N 1.819 122.148 120.400 -0.119 0.000 2.493 178 D HA 0.177 4.817 4.640 0.001 0.000 0.240 178 D C 0.283 176.157 176.300 -0.710 0.000 1.142 178 D CA 0.206 53.964 54.000 -0.403 0.000 0.872 178 D CB -0.157 40.541 40.800 -0.170 0.000 1.173 178 D HN 0.320 8.690 8.370 -0.000 0.000 0.467 179 F N 0.533 119.306 119.950 -1.960 0.000 2.914 179 F HA -0.321 4.206 4.527 0.001 0.000 0.304 179 F C 1.515 176.754 175.800 -0.935 0.000 0.712 179 F CA 0.205 57.084 58.000 -1.868 0.000 1.211 179 F CB -1.557 36.761 39.000 -1.137 0.000 1.515 179 F HN 0.326 8.626 8.300 -0.000 0.000 0.350 180 N N 0.579 119.020 118.700 -0.430 0.000 2.094 180 N HA -0.165 4.576 4.740 0.001 0.000 0.191 180 N C 1.869 177.289 175.510 -0.150 0.000 1.023 180 N CA 1.815 54.738 53.050 -0.212 0.000 0.857 180 N CB -0.288 38.148 38.487 -0.084 0.000 1.013 180 N HN 0.573 8.953 8.380 -0.000 0.000 0.426 181 S N -0.850 114.865 115.700 0.024 0.000 2.605 181 S HA 0.129 4.600 4.470 0.001 0.000 0.217 181 S C 1.756 176.481 174.600 0.208 0.000 0.958 181 S CA -0.188 58.090 58.200 0.130 0.000 0.919 181 S CB -0.026 63.306 63.200 0.220 0.000 0.780 181 S HN 0.078 8.388 8.310 -0.000 0.000 0.507 182 V N 1.435 121.357 119.914 0.013 0.000 2.332 182 V HA -0.153 3.968 4.120 0.001 0.000 0.248 182 V C 1.837 178.083 176.094 0.253 0.000 1.055 182 V CA 1.950 64.307 62.300 0.094 0.000 1.038 182 V CB -0.708 31.017 31.823 -0.163 0.000 0.651 182 V HN 0.801 8.991 8.190 -0.000 0.000 0.450 183 W N -0.859 120.544 121.300 0.173 0.000 2.355 183 W HA -0.192 4.468 4.660 0.000 0.000 0.309 183 W C 2.478 179.039 176.519 0.070 0.000 1.206 183 W CA 0.908 58.300 57.345 0.079 0.000 1.284 183 W CB -0.562 28.908 29.460 0.017 0.000 1.145 183 W HN 0.409 8.589 8.180 -0.000 0.000 0.502 184 H N -0.128 119.111 119.070 0.282 0.000 2.428 184 H HA -0.123 4.434 4.556 0.001 0.000 0.296 184 H C 1.656 177.112 175.328 0.213 0.000 1.062 184 H CA 1.629 57.801 56.048 0.207 0.000 1.350 184 H CB -0.712 29.137 29.762 0.145 0.000 1.403 184 H HN 0.002 8.282 8.280 -0.000 0.000 0.533 185 D N 0.399 121.006 120.400 0.344 0.000 2.092 185 D HA -0.152 4.488 4.640 0.001 0.000 0.193 185 D C 2.282 178.685 176.300 0.173 0.000 0.994 185 D CA 0.983 55.149 54.000 0.277 0.000 0.828 185 D CB -0.396 40.606 40.800 0.336 0.000 0.963 185 D HN 0.345 8.715 8.370 -0.000 0.000 0.450 186 I N -0.358 120.270 120.570 0.097 0.000 2.252 186 I HA -0.304 3.866 4.170 0.001 0.000 0.245 186 I C 2.310 178.287 176.117 -0.234 0.000 1.102 186 I CA 1.000 62.114 61.300 -0.309 0.000 1.385 186 I CB -0.055 37.711 38.000 -0.389 0.000 1.064 186 I HN -0.062 8.148 8.210 -0.000 0.000 0.414 187 Y N 2.057 122.266 120.300 -0.151 0.000 2.030 187 Y HA -0.367 4.184 4.550 0.001 0.000 0.274 187 Y C 2.676 178.510 175.900 -0.110 0.000 1.153 187 Y CA 2.141 60.149 58.100 -0.152 0.000 1.115 187 Y CB -0.503 37.865 38.460 -0.153 0.000 0.969 187 Y HN 0.063 8.343 8.280 -0.000 0.000 0.488 188 R N -0.036 120.456 120.500 -0.013 0.000 2.096 188 R HA -0.226 4.114 4.340 0.001 0.000 0.240 188 R C 2.201 178.436 176.300 -0.108 0.000 1.139 188 R CA 1.742 57.804 56.100 -0.063 0.000 0.952 188 R CB -0.699 29.660 30.300 0.097 0.000 0.854 188 R HN 0.497 8.767 8.270 -0.000 0.000 0.436 189 D N 0.482 120.854 120.400 -0.046 0.000 2.117 189 D HA -0.124 4.516 4.640 0.001 0.000 0.198 189 D C 1.833 178.088 176.300 -0.075 0.000 0.982 189 D CA 0.978 54.993 54.000 0.024 0.000 0.828 189 D CB 0.197 41.132 40.800 0.225 0.000 0.967 189 D HN 0.045 8.415 8.370 -0.000 0.000 0.464 190 I N 1.033 121.461 120.570 -0.237 0.000 2.315 190 I HA -0.157 4.014 4.170 0.001 0.000 0.248 190 I C 2.645 178.622 176.117 -0.233 0.000 1.117 190 I CA 0.656 61.815 61.300 -0.235 0.000 1.404 190 I CB -1.078 36.735 38.000 -0.312 0.000 1.071 190 I HN 0.050 8.260 8.210 -0.000 0.000 0.419 191 R N 1.106 121.395 120.500 -0.352 0.000 2.105 191 R HA -0.112 4.228 4.340 0.001 0.000 0.239 191 R C 1.904 178.091 176.300 -0.188 0.000 1.135 191 R CA 1.675 57.563 56.100 -0.354 0.000 0.967 191 R CB -0.074 29.884 30.300 -0.570 0.000 0.861 191 R HN 0.318 8.588 8.270 -0.000 0.000 0.442 192 A N -0.351 122.390 122.820 -0.131 0.000 2.307 192 A HA 0.048 4.368 4.320 0.001 0.000 0.218 192 A C 1.736 179.304 177.584 -0.026 0.000 1.228 192 A CA 0.543 52.544 52.037 -0.059 0.000 0.857 192 A CB -0.129 18.856 19.000 -0.025 0.000 0.897 192 A HN 0.484 8.634 8.150 -0.000 0.000 0.495 193 S N 1.474 117.152 115.700 -0.036 0.000 2.402 193 S HA -0.182 4.288 4.470 0.001 0.000 0.229 193 S C 1.377 175.972 174.600 -0.007 0.000 1.021 193 S CA 1.286 59.484 58.200 -0.003 0.000 0.974 193 S CB -0.523 62.672 63.200 -0.007 0.000 0.800 193 S HN 0.640 8.950 8.310 -0.000 0.000 0.484 194 D N 2.135 122.520 120.400 -0.026 0.000 2.403 194 D HA -0.061 4.580 4.640 0.001 0.000 0.227 194 D C 1.258 177.555 176.300 -0.005 0.000 0.995 194 D CA 1.015 55.003 54.000 -0.020 0.000 0.928 194 D CB -0.603 40.178 40.800 -0.031 0.000 0.887 194 D HN 0.641 9.011 8.370 -0.000 0.000 0.529 195 S N -2.486 113.216 115.700 0.003 0.000 3.009 195 S HA 0.195 4.665 4.470 0.001 0.000 0.254 195 S C 0.317 174.933 174.600 0.027 0.000 1.004 195 S CA -0.846 57.363 58.200 0.016 0.000 1.119 195 S CB 0.001 63.210 63.200 0.016 0.000 1.075 195 S HN -0.051 8.259 8.310 -0.000 0.000 0.618 196 N N 1.618 120.334 118.700 0.028 0.000 2.448 196 N HA 0.476 5.217 4.740 0.001 0.000 0.274 196 N C 0.357 175.891 175.510 0.039 0.000 1.239 196 N CA -0.522 52.552 53.050 0.040 0.000 0.982 196 N CB 1.279 39.800 38.487 0.057 0.000 1.199 196 N HN 0.102 8.482 8.380 -0.000 0.000 0.576 197 S N -0.909 114.817 115.700 0.044 0.000 2.557 197 S HA 0.114 4.585 4.470 0.001 0.000 0.223 197 S C -0.168 174.467 174.600 0.057 0.000 0.969 197 S CA -0.198 58.028 58.200 0.043 0.000 0.927 197 S CB -0.016 63.203 63.200 0.033 0.000 0.806 197 S HN 0.466 8.776 8.310 -0.000 0.000 0.489 198 T N 3.819 118.417 114.554 0.075 0.000 2.871 198 T HA 0.104 4.455 4.350 0.001 0.000 0.296 198 T C -0.014 174.719 174.700 0.056 0.000 0.998 198 T CA 0.805 62.967 62.100 0.104 0.000 1.162 198 T CB 0.151 69.119 68.868 0.168 0.000 0.947 198 T HN 0.222 8.462 8.240 -0.000 0.000 0.536 199 K N 2.917 123.338 120.400 0.035 0.000 2.464 199 K HA 0.612 4.933 4.320 0.001 0.000 0.253 199 K C -0.999 175.493 176.600 -0.180 0.000 0.933 199 K CA -0.700 55.526 56.287 -0.102 0.000 0.801 199 K CB 2.259 34.712 32.500 -0.079 0.000 1.271 199 K HN 0.438 8.688 8.250 -0.000 0.000 0.430 200 I N 2.667 123.028 120.570 -0.349 0.000 2.498 200 I HA 0.386 4.556 4.170 0.001 0.000 0.290 200 I C -1.322 174.588 176.117 -0.344 0.000 1.032 200 I CA -0.837 60.350 61.300 -0.188 0.000 1.073 200 I CB 1.245 39.255 38.000 0.018 0.000 1.251 200 I HN 0.478 8.688 8.210 -0.000 0.000 0.426 201 Y N 5.185 125.594 120.300 0.182 0.000 2.425 201 Y HA 0.501 5.052 4.550 0.000 0.000 0.344 201 Y C -0.736 175.363 175.900 0.330 0.000 0.969 201 Y CA -0.817 57.420 58.100 0.229 0.000 1.052 201 Y CB 2.057 40.604 38.460 0.145 0.000 1.215 201 Y HN 0.395 8.675 8.280 -0.000 0.000 0.451 202 F N 4.255 124.474 119.950 0.448 0.000 2.411 202 F HA 0.408 4.936 4.527 0.001 0.000 0.352 202 F C 0.495 176.479 175.800 0.306 0.000 1.123 202 F CA -0.651 57.597 58.000 0.413 0.000 1.044 202 F CB 0.688 39.990 39.000 0.503 0.000 1.135 202 F HN 0.663 8.963 8.300 -0.000 0.000 0.461 203 N N 5.743 124.215 118.700 -0.380 0.000 2.705 203 N HA -0.304 4.436 4.740 0.001 0.000 0.255 203 N C -0.272 175.242 175.510 0.006 0.000 1.008 203 N CA 1.221 54.128 53.050 -0.239 0.000 0.742 203 N CB -0.791 37.520 38.487 -0.292 0.000 0.906 203 N HN 0.899 9.279 8.380 -0.000 0.000 0.541 204 N N -1.595 117.133 118.700 0.047 0.000 2.782 204 N HA -0.212 4.529 4.740 0.001 0.000 0.251 204 N C -0.571 175.052 175.510 0.188 0.000 1.101 204 N CA 1.157 54.223 53.050 0.027 0.000 0.764 204 N CB -1.038 37.427 38.487 -0.037 0.000 1.122 204 N HN 0.566 8.946 8.380 -0.000 0.000 0.561 205 I N 1.281 122.073 120.570 0.370 0.000 2.382 205 I HA 0.128 4.299 4.170 0.001 0.000 0.286 205 I C 0.759 177.207 176.117 0.552 0.000 1.002 205 I CA -0.594 60.964 61.300 0.430 0.000 1.135 205 I CB 1.694 39.951 38.000 0.428 0.000 1.288 205 I HN -0.011 8.199 8.210 -0.000 0.000 0.448 206 E N 7.198 127.685 120.200 0.478 0.000 2.415 206 E HA 0.135 4.485 4.350 0.001 0.000 0.260 206 E C -0.630 176.068 176.600 0.162 0.000 1.016 206 E CA -0.197 56.299 56.400 0.161 0.000 0.924 206 E CB 0.603 30.366 29.700 0.106 0.000 0.961 206 E HN 0.462 8.822 8.360 -0.000 0.000 0.459 207 I N 7.751 128.340 120.570 0.031 0.000 2.379 207 I HA 0.161 4.332 4.170 0.001 0.000 0.290 207 I C -1.921 174.158 176.117 -0.064 0.000 1.063 207 I CA -2.232 59.033 61.300 -0.059 0.000 1.351 207 I CB 0.686 38.618 38.000 -0.113 0.000 1.410 207 I HN 0.423 8.633 8.210 -0.000 0.000 0.505 208 P HA 0.030 4.450 4.420 -0.000 0.000 0.265 208 P C 0.813 178.055 177.300 -0.097 0.000 1.193 208 P CA 0.039 63.090 63.100 -0.082 0.000 0.765 208 P CB 0.684 32.286 31.700 -0.164 0.000 0.823 209 L N 2.367 123.545 121.223 -0.075 0.000 2.079 209 L HA -0.234 4.106 4.340 0.001 0.000 0.210 209 L C 2.293 179.109 176.870 -0.090 0.000 1.081 209 L CA 1.642 56.440 54.840 -0.070 0.000 0.752 209 L CB -0.489 41.540 42.059 -0.051 0.000 0.896 209 L HN 0.367 8.597 8.230 -0.000 0.000 0.433 210 K N 0.496 120.837 120.400 -0.098 0.000 2.097 210 K HA -0.216 4.104 4.320 0.001 0.000 0.206 210 K C 1.890 178.420 176.600 -0.116 0.000 1.049 210 K CA 1.391 57.615 56.287 -0.105 0.000 0.933 210 K CB -0.367 32.070 32.500 -0.105 0.000 0.717 210 K HN 0.109 8.359 8.250 -0.000 0.000 0.442 211 L N 0.365 121.507 121.223 -0.135 0.000 2.109 211 L HA -0.012 4.328 4.340 0.001 0.000 0.207 211 L C 1.776 178.595 176.870 -0.085 0.000 1.086 211 L CA 1.443 56.216 54.840 -0.113 0.000 0.760 211 L CB -0.369 41.598 42.059 -0.153 0.000 0.910 211 L HN 0.176 8.406 8.230 -0.000 0.000 0.437 212 I N 0.196 120.706 120.570 -0.099 0.000 2.179 212 I HA -0.232 3.938 4.170 0.001 0.000 0.242 212 I C 2.663 178.685 176.117 -0.158 0.000 1.088 212 I CA 1.404 62.625 61.300 -0.132 0.000 1.357 212 I CB -1.834 36.105 38.000 -0.101 0.000 1.051 212 I HN 0.355 8.565 8.210 -0.000 0.000 0.409 213 A N 0.746 123.484 122.820 -0.138 0.000 1.902 213 A HA -0.218 4.103 4.320 0.001 0.000 0.217 213 A C 1.973 179.485 177.584 -0.119 0.000 1.181 213 A CA 1.961 53.916 52.037 -0.137 0.000 0.623 213 A CB -0.587 18.339 19.000 -0.124 0.000 0.818 213 A HN 0.358 8.508 8.150 -0.000 0.000 0.443 214 D N -0.503 119.833 120.400 -0.107 0.000 2.117 214 D HA -0.113 4.527 4.640 0.001 0.000 0.198 214 D C 1.854 178.089 176.300 -0.108 0.000 0.982 214 D CA 1.250 55.195 54.000 -0.091 0.000 0.828 214 D CB -0.406 40.350 40.800 -0.072 0.000 0.967 214 D HN 0.372 8.742 8.370 -0.000 0.000 0.464 215 L N 0.390 121.524 121.223 -0.148 0.000 1.994 215 L HA -0.101 4.239 4.340 0.001 0.000 0.208 215 L C 2.039 178.779 176.870 -0.216 0.000 1.071 215 L CA 1.335 56.042 54.840 -0.222 0.000 0.745 215 L CB -0.555 41.248 42.059 -0.426 0.000 0.892 215 L HN -0.100 8.130 8.230 -0.000 0.000 0.431 216 I N 0.388 120.831 120.570 -0.211 0.000 2.361 216 I HA -0.278 3.892 4.170 0.001 0.000 0.251 216 I C 2.418 178.437 176.117 -0.163 0.000 1.133 216 I CA 1.322 62.500 61.300 -0.204 0.000 1.413 216 I CB -0.801 37.080 38.000 -0.198 0.000 1.073 216 I HN 0.562 8.772 8.210 -0.000 0.000 0.424 217 N N 0.518 119.145 118.700 -0.123 0.000 2.142 217 N HA -0.197 4.544 4.740 0.001 0.000 0.186 217 N C 1.600 177.047 175.510 -0.105 0.000 1.023 217 N CA 1.384 54.380 53.050 -0.091 0.000 0.852 217 N CB 0.027 38.475 38.487 -0.064 0.000 0.998 217 N HN 0.473 8.853 8.380 -0.000 0.000 0.424 218 E N 0.419 120.553 120.200 -0.109 0.000 2.285 218 E HA -0.017 4.333 4.350 0.001 0.000 0.194 218 E C 1.910 178.436 176.600 -0.123 0.000 0.997 218 E CA 0.171 56.512 56.400 -0.098 0.000 0.845 218 E CB 0.094 29.747 29.700 -0.079 0.000 0.782 218 E HN 0.420 8.780 8.360 -0.000 0.000 0.491 219 L N 0.112 121.235 121.223 -0.166 0.000 2.549 219 L HA -0.022 4.319 4.340 0.001 0.000 0.229 219 L C 1.442 178.165 176.870 -0.245 0.000 1.158 219 L CA 0.669 55.380 54.840 -0.214 0.000 0.842 219 L CB -0.273 41.620 42.059 -0.277 0.000 0.952 219 L HN 0.305 8.535 8.230 -0.000 0.000 0.452 220 G N 0.428 109.108 108.800 -0.200 0.000 2.143 220 G HA2 -0.292 3.668 3.960 0.001 0.000 0.249 220 G HA3 -0.292 3.668 3.960 0.001 0.000 0.249 220 G C 0.266 175.016 174.900 -0.251 0.000 0.981 220 G CA -0.242 44.744 45.100 -0.190 0.000 0.665 220 G HN 0.304 8.594 8.290 -0.000 0.000 0.528 221 I N 2.097 122.493 120.570 -0.290 0.000 2.406 221 I HA 0.261 4.432 4.170 0.001 0.000 0.293 221 I C 0.705 176.659 176.117 -0.273 0.000 1.101 221 I CA -0.005 61.110 61.300 -0.309 0.000 1.334 221 I CB -0.014 37.820 38.000 -0.276 0.000 1.421 221 I HN 0.516 8.726 8.210 -0.000 0.000 0.513 222 N N 4.680 123.096 118.700 -0.473 0.000 3.439 222 N HA 0.193 4.933 4.740 0.001 0.000 0.343 222 N C 0.523 175.238 175.510 -1.324 0.000 1.597 222 N CA -0.811 51.665 53.050 -0.956 0.000 0.733 222 N CB 0.211 38.330 38.487 -0.613 0.000 1.973 222 N HN 0.370 8.750 8.380 -0.000 0.000 0.646 223 E N -0.513 118.744 120.200 -1.572 0.000 2.285 223 E HA -0.055 4.295 4.350 0.001 0.000 0.194 223 E C -0.404 175.745 176.600 -0.753 0.000 0.997 223 E CA 0.938 56.626 56.400 -1.187 0.000 0.845 223 E CB -0.473 28.644 29.700 -0.971 0.000 0.782 223 E HN 0.643 9.003 8.360 -0.000 0.000 0.491 224 F N 0.077 119.862 119.950 -0.275 0.000 2.623 224 F HA 0.425 4.953 4.527 0.001 0.000 0.361 224 F C 1.021 176.770 175.800 -0.085 0.000 1.469 224 F CA -1.509 56.440 58.000 -0.086 0.000 1.126 224 F CB -0.665 38.316 39.000 -0.032 0.000 1.221 224 F HN -0.138 8.162 8.300 -0.000 0.000 0.536 225 I N 0.472 121.038 120.570 -0.007 0.000 2.617 225 I HA 0.049 4.219 4.170 0.001 0.000 0.256 225 I C -0.253 175.952 176.117 0.146 0.000 1.167 225 I CA 0.982 62.296 61.300 0.022 0.000 1.469 225 I CB 0.168 38.096 38.000 -0.121 0.000 1.098 225 I HN 0.511 8.721 8.210 -0.000 0.000 0.436 226 D N -0.240 120.320 120.400 0.265 0.000 5.500 226 D HA -0.179 4.461 4.640 0.001 0.000 0.227 226 D C 0.990 177.503 176.300 0.355 0.000 1.663 226 D CA 0.710 54.871 54.000 0.268 0.000 1.378 226 D CB -0.367 40.532 40.800 0.165 0.000 0.536 226 D HN 0.359 8.729 8.370 -0.000 0.000 0.273 227 S N 3.747 119.616 115.700 0.283 0.000 2.383 227 S HA -0.236 4.234 4.470 0.001 0.000 0.229 227 S C 1.576 176.202 174.600 0.043 0.000 1.030 227 S CA 1.392 59.686 58.200 0.157 0.000 1.002 227 S CB -0.014 63.194 63.200 0.013 0.000 0.829 227 S HN 0.568 8.878 8.310 -0.000 0.000 0.467 228 K N 0.970 121.422 120.400 0.086 0.000 2.432 228 K HA 0.156 4.477 4.320 0.001 0.000 0.196 228 K C 0.777 177.469 176.600 0.152 0.000 1.038 228 K CA 0.081 56.403 56.287 0.058 0.000 0.986 228 K CB -0.010 32.516 32.500 0.043 0.000 0.782 228 K HN 0.421 8.671 8.250 -0.000 0.000 0.485 229 K N 2.294 122.862 120.400 0.280 0.000 2.469 229 K HA -0.087 4.233 4.320 0.001 0.000 0.274 229 K C -0.385 176.459 176.600 0.408 0.000 0.983 229 K CA 0.280 56.743 56.287 0.293 0.000 0.974 229 K CB 0.493 33.137 32.500 0.240 0.000 0.913 229 K HN -0.030 8.220 8.250 -0.000 0.000 0.493 230 E N 4.708 125.040 120.200 0.222 0.000 2.151 230 E HA 0.163 4.514 4.350 0.001 0.000 0.275 230 E C -0.846 175.797 176.600 0.071 0.000 0.936 230 E CA -0.662 55.859 56.400 0.203 0.000 0.777 230 E CB 0.750 30.521 29.700 0.119 0.000 1.108 230 E HN 0.486 8.846 8.360 -0.000 0.000 0.401 231 L N 4.139 125.359 121.223 -0.004 0.000 2.410 231 L HA 0.104 4.444 4.340 0.001 0.000 0.273 231 L C 0.474 177.293 176.870 -0.084 0.000 1.152 231 L CA 0.057 54.791 54.840 -0.177 0.000 0.855 231 L CB 0.579 42.431 42.059 -0.346 0.000 1.129 231 L HN 0.570 8.800 8.230 -0.000 0.000 0.463 232 Q N 2.707 122.456 119.800 -0.086 0.000 2.288 232 Q HA 0.299 4.639 4.340 0.001 0.000 0.254 232 Q C -0.279 175.690 176.000 -0.052 0.000 0.932 232 Q CA -0.558 55.217 55.803 -0.047 0.000 0.902 232 Q CB 1.428 30.143 28.738 -0.038 0.000 1.203 232 Q HN 0.426 8.696 8.270 -0.000 0.000 0.415 233 M N 2.099 121.688 119.600 -0.019 0.000 2.242 233 M HA 0.164 4.644 4.480 0.001 0.000 0.344 233 M C -0.426 175.874 176.300 0.000 0.000 1.140 233 M CA -0.462 54.835 55.300 -0.005 0.000 1.160 233 M CB 0.208 32.825 32.600 0.029 0.000 1.491 233 M HN 0.475 8.765 8.290 -0.000 0.000 0.459 234 L N 1.594 122.821 121.223 0.005 0.000 2.397 234 L HA 0.173 4.513 4.340 0.001 0.000 0.271 234 L C 0.869 177.764 176.870 0.042 0.000 1.148 234 L CA 0.310 55.156 54.840 0.010 0.000 0.825 234 L CB 0.592 42.653 42.059 0.003 0.000 1.117 234 L HN 0.878 9.108 8.230 -0.000 0.000 0.456 235 S N 2.139 117.862 115.700 0.038 0.000 2.580 235 S HA -0.043 4.427 4.470 0.001 0.000 0.266 235 S C 1.114 175.768 174.600 0.091 0.000 1.354 235 S CA -0.040 58.203 58.200 0.072 0.000 1.008 235 S CB 0.066 63.304 63.200 0.062 0.000 0.898 235 S HN 0.587 8.897 8.310 -0.000 0.000 0.555 236 Y N 2.391 122.712 120.300 0.034 0.000 2.165 236 Y HA -0.223 4.328 4.550 0.001 0.000 0.286 236 Y C 1.999 177.920 175.900 0.035 0.000 1.155 236 Y CA 2.429 60.551 58.100 0.036 0.000 1.164 236 Y CB -0.770 37.705 38.460 0.025 0.000 0.978 236 Y HN 0.706 8.986 8.280 -0.000 0.000 0.513 237 N N 0.518 119.227 118.700 0.015 0.000 2.061 237 N HA -0.227 4.514 4.740 0.001 0.000 0.193 237 N C 1.788 177.218 175.510 -0.133 0.000 1.030 237 N CA 2.059 55.068 53.050 -0.068 0.000 0.856 237 N CB -0.585 37.930 38.487 0.048 0.000 1.023 237 N HN 0.580 8.960 8.380 -0.000 0.000 0.424 238 Q N 0.006 119.763 119.800 -0.072 0.000 2.020 238 Q HA -0.088 4.252 4.340 0.001 0.000 0.202 238 Q C 2.233 178.192 176.000 -0.068 0.000 0.982 238 Q CA 1.776 57.545 55.803 -0.055 0.000 0.838 238 Q CB -0.257 28.464 28.738 -0.027 0.000 0.899 238 Q HN 0.420 8.690 8.270 -0.000 0.000 0.423 239 V N -0.390 119.486 119.914 -0.063 0.000 2.407 239 V HA -0.267 3.854 4.120 0.001 0.000 0.248 239 V C 1.837 177.888 176.094 -0.071 0.000 1.055 239 V CA 2.263 64.564 62.300 0.003 0.000 1.049 239 V CB -0.830 31.052 31.823 0.099 0.000 0.662 239 V HN 0.463 8.653 8.190 -0.000 0.000 0.455 240 N N 1.033 119.573 118.700 -0.268 0.000 2.272 240 N HA -0.290 4.450 4.740 0.001 0.000 0.185 240 N C 1.887 177.321 175.510 -0.126 0.000 1.014 240 N CA 1.901 54.774 53.050 -0.296 0.000 0.870 240 N CB -0.062 38.058 38.487 -0.612 0.000 0.975 240 N HN 0.735 9.115 8.380 -0.000 0.000 0.433 241 K N 1.429 121.771 120.400 -0.098 0.000 1.973 241 K HA -0.052 4.268 4.320 0.001 0.000 0.212 241 K C 2.105 178.691 176.600 -0.025 0.000 1.047 241 K CA 1.293 57.550 56.287 -0.050 0.000 0.937 241 K CB -0.509 31.964 32.500 -0.044 0.000 0.721 241 K HN 0.145 8.395 8.250 -0.000 0.000 0.440 242 I N 0.620 121.183 120.570 -0.013 0.000 2.118 242 I HA -0.317 3.854 4.170 0.001 0.000 0.241 242 I C 2.465 178.591 176.117 0.016 0.000 1.070 242 I CA 1.724 63.025 61.300 0.002 0.000 1.327 242 I CB -0.427 37.593 38.000 0.034 0.000 1.034 242 I HN 0.195 8.405 8.210 -0.000 0.000 0.405 243 I N 0.833 121.443 120.570 0.067 0.000 2.151 243 I HA -0.349 3.821 4.170 0.001 0.000 0.243 243 I C 2.366 178.567 176.117 0.141 0.000 1.080 243 I CA 1.584 62.964 61.300 0.134 0.000 1.339 243 I CB -0.474 37.607 38.000 0.135 0.000 1.039 243 I HN 0.328 8.538 8.210 -0.000 0.000 0.409 244 N N 0.067 118.814 118.700 0.078 0.000 2.244 244 N HA -0.117 4.623 4.740 0.001 0.000 0.183 244 N C 1.981 177.506 175.510 0.025 0.000 1.016 244 N CA 1.174 54.265 53.050 0.069 0.000 0.866 244 N CB -0.107 38.401 38.487 0.035 0.000 0.980 244 N HN 0.224 8.604 8.380 -0.000 0.000 0.430 245 S N 0.857 116.550 115.700 -0.011 0.000 2.399 245 S HA 0.011 4.481 4.470 0.001 0.000 0.231 245 S C 1.350 175.898 174.600 -0.087 0.000 1.022 245 S CA 0.775 58.949 58.200 -0.043 0.000 0.983 245 S CB -0.003 63.167 63.200 -0.049 0.000 0.803 245 S HN 0.395 8.705 8.310 -0.000 0.000 0.480 246 N N -0.467 118.144 118.700 -0.148 0.000 2.236 246 N HA 0.201 4.941 4.740 0.001 0.000 0.196 246 N C -0.802 174.402 175.510 -0.509 0.000 1.114 246 N CA 0.211 53.059 53.050 -0.335 0.000 0.859 246 N CB 0.516 38.729 38.487 -0.457 0.000 0.982 246 N HN 0.323 8.703 8.380 -0.000 0.000 0.493 247 F N 0.510 120.446 119.950 -0.024 0.000 2.686 247 F HA 0.339 4.867 4.527 0.000 0.000 0.365 247 F C -1.776 173.957 175.800 -0.111 0.000 1.196 247 F CA -1.653 56.315 58.000 -0.054 0.000 1.198 247 F CB 2.203 41.235 39.000 0.053 0.000 1.454 247 F HN -0.129 8.171 8.300 -0.000 0.000 0.539 248 P HA -0.076 4.344 4.420 -0.000 0.000 0.217 248 P C -0.211 177.021 177.300 -0.114 0.000 1.154 248 P CA 0.868 63.932 63.100 -0.060 0.000 0.841 248 P CB 0.151 31.799 31.700 -0.086 0.000 0.788 249 Q N 0.007 119.627 119.800 -0.300 0.000 2.333 249 Q HA 0.004 4.344 4.340 0.001 0.000 0.299 249 Q C 0.875 176.811 176.000 -0.107 0.000 1.067 249 Q CA 0.696 56.275 55.803 -0.374 0.000 0.943 249 Q CB -0.098 27.953 28.738 -1.145 0.000 1.233 249 Q HN 0.029 8.299 8.270 -0.000 0.000 0.401 250 Q N 0.791 120.601 119.800 0.017 0.000 2.247 250 Q HA 0.095 4.436 4.340 0.001 0.000 0.211 250 Q C -0.861 175.215 176.000 0.127 0.000 0.861 250 Q CA 0.025 55.869 55.803 0.069 0.000 0.949 250 Q CB 0.578 29.338 28.738 0.037 0.000 1.115 250 Q HN 0.707 8.977 8.270 -0.000 0.000 0.507 251 D N -0.268 120.273 120.400 0.234 0.000 2.443 251 D HA -0.115 4.526 4.640 0.001 0.000 0.234 251 D C 1.100 177.467 176.300 0.113 0.000 1.172 251 D CA 0.096 54.216 54.000 0.200 0.000 0.878 251 D CB 0.603 41.576 40.800 0.288 0.000 1.204 251 D HN 0.061 8.431 8.370 -0.000 0.000 0.453 252 L N 2.686 123.928 121.223 0.032 0.000 2.013 252 L HA -0.228 4.113 4.340 0.001 0.000 0.212 252 L C 2.115 178.946 176.870 -0.066 0.000 1.073 252 L CA 1.750 56.581 54.840 -0.015 0.000 0.753 252 L CB -0.651 41.392 42.059 -0.028 0.000 0.890 252 L HN 0.827 9.057 8.230 -0.000 0.000 0.432 253 C N -1.759 117.466 119.300 -0.126 0.000 2.413 253 C HA -0.187 4.273 4.460 0.001 0.000 0.276 253 C C 2.511 177.306 174.990 -0.325 0.000 1.236 253 C CA 0.698 59.562 59.018 -0.257 0.000 1.735 253 C CB -2.055 25.471 27.740 -0.357 0.000 2.031 253 C HN 0.525 8.755 8.230 -0.000 0.000 0.474 254 F N 1.083 120.957 119.950 -0.126 0.000 2.186 254 F HA -0.095 4.432 4.527 0.000 0.000 0.299 254 F C 2.953 178.603 175.800 -0.250 0.000 1.090 254 F CA 1.868 59.738 58.000 -0.216 0.000 1.307 254 F CB -0.572 38.367 39.000 -0.101 0.000 1.019 254 F HN 0.186 8.486 8.300 -0.000 0.000 0.489 255 Q N 0.523 120.336 119.800 0.021 0.000 2.084 255 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 255 Q C 2.407 178.340 176.000 -0.110 0.000 0.978 255 Q CA 2.482 58.266 55.803 -0.031 0.000 0.844 255 Q CB -0.710 28.025 28.738 -0.006 0.000 0.898 255 Q HN 0.459 8.729 8.270 -0.000 0.000 0.426 256 T N -1.974 112.494 114.554 -0.143 0.000 2.708 256 T HA -0.158 4.192 4.350 0.001 0.000 0.266 256 T C 1.520 176.040 174.700 -0.299 0.000 1.037 256 T CA 1.477 63.464 62.100 -0.188 0.000 1.146 256 T CB -0.355 68.411 68.868 -0.169 0.000 0.865 256 T HN 0.405 8.645 8.240 -0.000 0.000 0.435 257 E N 1.189 121.165 120.200 -0.374 0.000 2.085 257 E HA -0.131 4.219 4.350 0.001 0.000 0.194 257 E C 2.484 178.760 176.600 -0.540 0.000 0.994 257 E CA 1.174 57.228 56.400 -0.577 0.000 0.801 257 E CB -0.135 29.233 29.700 -0.555 0.000 0.743 257 E HN 0.587 8.947 8.360 -0.000 0.000 0.453 258 K N 0.408 120.588 120.400 -0.368 0.000 2.063 258 K HA -0.169 4.151 4.320 0.001 0.000 0.208 258 K C 2.211 178.724 176.600 -0.145 0.000 1.048 258 K CA 0.837 57.031 56.287 -0.155 0.000 0.928 258 K CB -0.168 32.303 32.500 -0.048 0.000 0.713 258 K HN 0.036 8.286 8.250 -0.000 0.000 0.442 259 L N 0.982 122.096 121.223 -0.181 0.000 2.027 259 L HA -0.157 4.183 4.340 0.001 0.000 0.206 259 L C 2.210 178.940 176.870 -0.234 0.000 1.074 259 L CA 1.070 55.822 54.840 -0.146 0.000 0.745 259 L CB -0.493 41.490 42.059 -0.128 0.000 0.898 259 L HN 0.099 8.329 8.230 -0.000 0.000 0.433 260 L N -0.903 120.088 121.223 -0.388 0.000 1.989 260 L HA -0.238 4.102 4.340 0.001 0.000 0.211 260 L C 2.214 178.712 176.870 -0.621 0.000 1.071 260 L CA 2.032 56.548 54.840 -0.540 0.000 0.749 260 L CB -0.861 40.743 42.059 -0.759 0.000 0.890 260 L HN 0.236 8.466 8.230 -0.000 0.000 0.431 261 F N -1.252 118.409 119.950 -0.482 0.000 2.407 261 F HA -0.123 4.404 4.527 0.001 0.000 0.299 261 F C 2.234 177.549 175.800 -0.809 0.000 1.097 261 F CA 0.894 58.382 58.000 -0.853 0.000 1.422 261 F CB -0.676 37.776 39.000 -0.915 0.000 1.067 261 F HN 0.061 8.361 8.300 -0.000 0.000 0.539 262 T N -1.068 113.329 114.554 -0.261 0.000 2.777 262 T HA -0.198 4.152 4.350 0.001 0.000 0.266 262 T C 2.247 176.928 174.700 -0.033 0.000 1.040 262 T CA 1.573 63.611 62.100 -0.103 0.000 1.141 262 T CB -0.313 68.560 68.868 0.009 0.000 0.868 262 T HN 0.285 8.525 8.240 -0.000 0.000 0.444 263 S N 0.484 116.131 115.700 -0.088 0.000 2.338 263 S HA 0.054 4.524 4.470 0.001 0.000 0.218 263 S C 0.947 175.518 174.600 -0.048 0.000 1.032 263 S CA 0.431 58.604 58.200 -0.045 0.000 0.999 263 S CB -0.702 62.450 63.200 -0.081 0.000 0.905 263 S HN 0.367 8.677 8.310 -0.000 0.000 0.439 264 L N 0.539 121.638 121.223 -0.207 0.000 2.472 264 L HA 0.125 4.465 4.340 0.001 0.000 0.273 264 L C 1.119 178.033 176.870 0.073 0.000 1.254 264 L CA 0.155 54.827 54.840 -0.281 0.000 0.823 264 L CB -0.268 41.239 42.059 -0.920 0.000 1.096 264 L HN 0.427 8.657 8.230 -0.000 0.000 0.521 265 F N -2.006 117.881 119.950 -0.105 0.000 2.466 265 F HA -0.302 4.225 4.527 0.000 0.000 0.630 265 F C 1.722 177.565 175.800 0.072 0.000 0.498 265 F CA 1.524 59.563 58.000 0.064 0.000 1.125 265 F CB -1.062 37.949 39.000 0.019 0.000 1.909 265 F HN 0.548 8.848 8.300 -0.000 0.000 0.260 266 Q N -0.413 119.536 119.800 0.248 0.000 2.319 266 Q HA 0.088 4.428 4.340 0.001 0.000 0.202 266 Q C 0.100 176.198 176.000 0.164 0.000 0.896 266 Q CA 0.391 56.296 55.803 0.171 0.000 0.942 266 Q CB 0.328 29.158 28.738 0.153 0.000 1.083 266 Q HN 0.262 8.532 8.270 -0.000 0.000 0.510 267 D N 1.060 121.584 120.400 0.207 0.000 2.347 267 D HA 0.100 4.740 4.640 0.001 0.000 0.235 267 D C -1.960 174.482 176.300 0.238 0.000 1.149 267 D CA -2.347 51.793 54.000 0.235 0.000 0.850 267 D CB 1.591 42.581 40.800 0.317 0.000 1.061 267 D HN -0.133 8.237 8.370 -0.000 0.000 0.487 268 P HA -0.079 4.341 4.420 -0.000 0.000 0.219 268 P C 0.912 178.283 177.300 0.118 0.000 1.146 268 P CA 0.976 64.146 63.100 0.116 0.000 0.808 268 P CB 0.253 32.005 31.700 0.086 0.000 0.779 269 A N -1.221 121.712 122.820 0.188 0.000 1.930 269 A HA -0.167 4.154 4.320 0.001 0.000 0.217 269 A C 2.049 179.739 177.584 0.176 0.000 1.175 269 A CA 1.095 53.256 52.037 0.206 0.000 0.627 269 A CB -1.734 17.457 19.000 0.318 0.000 0.815 269 A HN 0.159 8.309 8.150 -0.000 0.000 0.443 270 F N 0.872 120.812 119.950 -0.016 0.000 2.113 270 F HA -0.139 4.389 4.527 0.001 0.000 0.297 270 F C 1.905 177.606 175.800 -0.165 0.000 1.103 270 F CA 1.356 59.099 58.000 -0.427 0.000 1.248 270 F CB -0.076 38.666 39.000 -0.429 0.000 0.999 270 F HN 0.126 8.426 8.300 -0.000 0.000 0.475 271 I N 0.032 120.559 120.570 -0.072 0.000 2.208 271 I HA -0.283 3.888 4.170 0.001 0.000 0.245 271 I C 2.512 178.544 176.117 -0.143 0.000 1.097 271 I CA 1.406 62.618 61.300 -0.147 0.000 1.363 271 I CB -1.846 36.132 38.000 -0.037 0.000 1.051 271 I HN 0.145 8.355 8.210 -0.000 0.000 0.413 272 S N 0.913 116.572 115.700 -0.068 0.000 2.368 272 S HA -0.109 4.361 4.470 0.001 0.000 0.225 272 S C 2.237 176.806 174.600 -0.052 0.000 1.030 272 S CA 1.326 59.509 58.200 -0.028 0.000 0.999 272 S CB -0.280 62.899 63.200 -0.035 0.000 0.844 272 S HN 0.562 8.872 8.310 -0.000 0.000 0.459 273 A N 1.428 124.175 122.820 -0.122 0.000 1.873 273 A HA -0.026 4.295 4.320 0.001 0.000 0.215 273 A C 2.128 179.643 177.584 -0.116 0.000 1.186 273 A CA 1.395 53.386 52.037 -0.076 0.000 0.616 273 A CB -0.801 18.112 19.000 -0.144 0.000 0.823 273 A HN 0.415 8.565 8.150 -0.000 0.000 0.442 274 L N 0.604 121.604 121.223 -0.371 0.000 1.989 274 L HA -0.162 4.179 4.340 0.001 0.000 0.211 274 L C 2.738 179.671 176.870 0.106 0.000 1.071 274 L CA 3.241 57.944 54.840 -0.230 0.000 0.749 274 L CB -1.141 40.632 42.059 -0.477 0.000 0.890 274 L HN 0.576 8.806 8.230 -0.000 0.000 0.431 275 T N -3.306 111.306 114.554 0.096 0.000 2.812 275 T HA -0.146 4.204 4.350 0.001 0.000 0.264 275 T C 2.060 176.971 174.700 0.351 0.000 1.042 275 T CA 1.353 63.616 62.100 0.272 0.000 1.140 275 T CB -1.134 67.944 68.868 0.350 0.000 0.870 275 T HN 0.554 8.794 8.240 -0.000 0.000 0.445 276 S N 2.489 118.329 115.700 0.235 0.000 2.419 276 S HA 0.036 4.506 4.470 0.001 0.000 0.235 276 S C 2.391 177.252 174.600 0.434 0.000 1.019 276 S CA 0.908 59.278 58.200 0.283 0.000 0.982 276 S CB -0.978 62.267 63.200 0.075 0.000 0.789 276 S HN 0.769 9.079 8.310 -0.000 0.000 0.490 277 A N 0.327 123.344 122.820 0.328 0.000 2.070 277 A HA 0.194 4.514 4.320 0.001 0.000 0.220 277 A C 1.593 179.129 177.584 -0.081 0.000 1.159 277 A CA 0.934 53.070 52.037 0.164 0.000 0.656 277 A CB -0.827 18.133 19.000 -0.067 0.000 0.800 277 A HN 0.614 8.764 8.150 -0.000 0.000 0.453 278 F N -2.961 117.012 119.950 0.038 0.000 2.749 278 F HA 0.181 4.708 4.527 0.001 0.000 0.300 278 F C 0.677 176.565 175.800 0.146 0.000 1.103 278 F CA -0.865 57.042 58.000 -0.154 0.000 1.342 278 F CB -0.090 38.816 39.000 -0.156 0.000 1.098 278 F HN 0.369 8.669 8.300 -0.000 0.000 0.586 279 W N 3.935 125.363 121.300 0.212 0.000 2.385 279 W HA 0.001 4.662 4.660 0.001 0.000 0.336 279 W C 1.820 178.383 176.519 0.074 0.000 1.351 279 W CA -0.578 56.831 57.345 0.106 0.000 1.295 279 W CB 0.567 30.010 29.460 -0.028 0.000 1.239 279 W HN 0.357 8.537 8.180 -0.000 0.000 0.565 280 Q N 2.502 122.123 119.800 -0.299 0.000 2.226 280 Q HA -0.146 4.194 4.340 0.001 0.000 0.204 280 Q C 1.106 176.757 176.000 -0.583 0.000 0.975 280 Q CA 1.909 57.541 55.803 -0.286 0.000 0.866 280 Q CB -0.375 28.267 28.738 -0.160 0.000 0.915 280 Q HN 0.410 8.680 8.270 -0.000 0.000 0.440 281 S N 0.296 115.169 115.700 -1.378 0.000 2.575 281 S HA 0.134 4.604 4.470 0.001 0.000 0.237 281 S C 1.038 174.823 174.600 -1.358 0.000 0.975 281 S CA -0.410 56.952 58.200 -1.396 0.000 0.960 281 S CB 0.285 62.648 63.200 -1.395 0.000 0.822 281 S HN 0.246 8.556 8.310 -0.000 0.000 0.472 282 L N 3.295 124.007 121.223 -0.852 0.000 2.103 282 L HA -0.232 4.109 4.340 0.001 0.000 0.215 282 L C 2.324 179.116 176.870 -0.130 0.000 1.080 282 L CA 2.032 56.750 54.840 -0.205 0.000 0.764 282 L CB -0.457 41.670 42.059 0.113 0.000 0.890 282 L HN 0.601 8.831 8.230 -0.000 0.000 0.435 283 H N -1.757 117.199 119.070 -0.190 0.000 2.563 283 H HA 0.160 4.716 4.556 0.001 0.000 0.264 283 H C 0.601 175.884 175.328 -0.075 0.000 0.957 283 H CA -0.331 55.651 56.048 -0.110 0.000 1.173 283 H CB -0.384 29.276 29.762 -0.170 0.000 1.420 283 H HN 0.208 8.488 8.280 -0.000 0.000 0.551 284 I N 4.405 124.685 120.570 -0.484 0.000 2.357 284 I HA -0.017 4.153 4.170 0.001 0.000 0.300 284 I C 1.059 177.230 176.117 0.090 0.000 1.159 284 I CA 0.377 61.569 61.300 -0.181 0.000 1.339 284 I CB -0.132 37.733 38.000 -0.225 0.000 1.458 284 I HN 0.277 8.488 8.210 -0.000 0.000 0.577 285 T N 0.160 114.742 114.554 0.047 0.000 3.010 285 T HA 0.231 4.581 4.350 0.001 0.000 0.257 285 T C 0.541 174.983 174.700 -0.431 0.000 1.020 285 T CA 0.071 62.173 62.100 0.002 0.000 0.938 285 T CB 0.269 69.156 68.868 0.031 0.000 1.049 285 T HN 0.552 8.792 8.240 -0.000 0.000 0.522 286 S N -0.671 114.615 115.700 -0.691 0.000 2.611 286 S HA 0.429 4.899 4.470 0.001 0.000 0.270 286 S C 0.506 174.754 174.600 -0.585 0.000 1.131 286 S CA -0.189 57.350 58.200 -1.102 0.000 0.826 286 S CB 1.025 63.950 63.200 -0.458 0.000 1.095 286 S HN -0.044 8.266 8.310 -0.000 0.000 0.461 287 S N 1.474 116.929 115.700 -0.408 0.000 2.400 287 S HA -0.101 4.370 4.470 0.001 0.000 0.232 287 S C 1.858 176.459 174.600 0.002 0.000 1.025 287 S CA 1.802 59.992 58.200 -0.015 0.000 0.993 287 S CB -0.710 62.492 63.200 0.004 0.000 0.808 287 S HN 0.725 9.035 8.310 -0.000 0.000 0.478 288 S N 1.268 116.929 115.700 -0.065 0.000 2.368 288 S HA -0.041 4.429 4.470 0.001 0.000 0.224 288 S C 2.032 176.646 174.600 0.024 0.000 1.029 288 S CA 1.017 59.208 58.200 -0.014 0.000 0.988 288 S CB -0.444 62.731 63.200 -0.042 0.000 0.838 288 S HN 0.345 8.655 8.310 -0.000 0.000 0.462 289 V N 2.062 121.982 119.914 0.011 0.000 2.358 289 V HA -0.168 3.952 4.120 0.001 0.000 0.246 289 V C 2.392 178.570 176.094 0.140 0.000 1.047 289 V CA 1.598 63.939 62.300 0.068 0.000 1.035 289 V CB -0.677 31.220 31.823 0.124 0.000 0.658 289 V HN 0.478 8.668 8.190 -0.000 0.000 0.452 290 E N -0.820 119.478 120.200 0.164 0.000 2.097 290 E HA -0.293 4.057 4.350 0.001 0.000 0.196 290 E C 2.213 178.935 176.600 0.204 0.000 1.000 290 E CA 1.708 58.247 56.400 0.232 0.000 0.804 290 E CB -0.262 29.576 29.700 0.231 0.000 0.740 290 E HN 0.708 9.068 8.360 -0.000 0.000 0.454 291 H N 0.423 119.522 119.070 0.048 0.000 2.299 291 H HA -0.105 4.451 4.556 0.001 0.000 0.302 291 H C 2.133 177.441 175.328 -0.034 0.000 1.078 291 H CA 1.239 57.291 56.048 0.006 0.000 1.323 291 H CB 0.233 29.985 29.762 -0.017 0.000 1.381 291 H HN 0.064 8.344 8.280 -0.000 0.000 0.498 292 I N 0.808 121.327 120.570 -0.086 0.000 2.163 292 I HA -0.302 3.868 4.170 0.001 0.000 0.243 292 I C 2.499 178.480 176.117 -0.226 0.000 1.085 292 I CA 1.098 62.233 61.300 -0.274 0.000 1.347 292 I CB -1.812 35.892 38.000 -0.495 0.000 1.044 292 I HN 0.327 8.537 8.210 -0.000 0.000 0.408 293 Y N 2.060 122.238 120.300 -0.204 0.000 2.181 293 Y HA -0.169 4.381 4.550 0.001 0.000 0.288 293 Y C 2.578 178.480 175.900 0.002 0.000 1.146 293 Y CA 1.452 59.563 58.100 0.018 0.000 1.164 293 Y CB -0.490 38.097 38.460 0.212 0.000 0.982 293 Y HN 0.125 8.405 8.280 -0.000 0.000 0.515 294 A N -0.015 122.753 122.820 -0.087 0.000 1.902 294 A HA -0.228 4.093 4.320 0.001 0.000 0.217 294 A C 2.132 179.599 177.584 -0.195 0.000 1.181 294 A CA 1.821 53.755 52.037 -0.172 0.000 0.623 294 A CB -0.678 18.264 19.000 -0.096 0.000 0.818 294 A HN 0.648 8.798 8.150 -0.000 0.000 0.443 295 Q N -0.677 118.984 119.800 -0.231 0.000 2.119 295 Q HA -0.076 4.265 4.340 0.001 0.000 0.201 295 Q C 2.003 177.936 176.000 -0.112 0.000 0.972 295 Q CA 1.404 57.087 55.803 -0.198 0.000 0.847 295 Q CB -0.269 28.316 28.738 -0.255 0.000 0.903 295 Q HN 0.734 9.004 8.270 -0.000 0.000 0.433 296 I N 0.213 120.721 120.570 -0.103 0.000 2.202 296 I HA -0.283 3.888 4.170 0.001 0.000 0.242 296 I C 2.291 178.438 176.117 0.051 0.000 1.091 296 I CA 1.131 62.424 61.300 -0.012 0.000 1.368 296 I CB -0.090 37.917 38.000 0.012 0.000 1.058 296 I HN 0.279 8.489 8.210 -0.000 0.000 0.410 297 M N -0.389 119.142 119.600 -0.116 0.000 2.229 297 M HA -0.168 4.313 4.480 0.001 0.000 0.264 297 M C 2.418 178.676 176.300 -0.070 0.000 1.063 297 M CA 1.405 56.633 55.300 -0.122 0.000 1.114 297 M CB -0.343 32.075 32.600 -0.303 0.000 1.387 297 M HN 0.148 8.438 8.290 -0.000 0.000 0.420 298 S N 0.372 116.025 115.700 -0.078 0.000 2.368 298 S HA -0.187 4.284 4.470 0.001 0.000 0.224 298 S C 1.757 176.333 174.600 -0.040 0.000 1.029 298 S CA 1.613 59.774 58.200 -0.064 0.000 0.988 298 S CB -0.341 62.816 63.200 -0.071 0.000 0.838 298 S HN 0.566 8.876 8.310 -0.000 0.000 0.462 299 E N 1.995 122.199 120.200 0.007 0.000 2.072 299 E HA -0.203 4.148 4.350 0.001 0.000 0.191 299 E C 2.052 178.629 176.600 -0.037 0.000 0.985 299 E CA 1.089 57.510 56.400 0.034 0.000 0.801 299 E CB -0.328 29.450 29.700 0.131 0.000 0.750 299 E HN 0.540 8.900 8.360 -0.000 0.000 0.452 300 N N 0.680 119.350 118.700 -0.051 0.000 2.069 300 N HA -0.198 4.543 4.740 0.001 0.000 0.191 300 N C 2.126 177.543 175.510 -0.155 0.000 1.031 300 N CA 1.709 54.588 53.050 -0.284 0.000 0.852 300 N CB -0.168 38.240 38.487 -0.132 0.000 1.018 300 N HN 0.282 8.662 8.380 -0.000 0.000 0.423 301 I N 0.856 121.369 120.570 -0.096 0.000 2.226 301 I HA -0.216 3.955 4.170 0.001 0.000 0.245 301 I C 2.178 178.229 176.117 -0.110 0.000 1.100 301 I CA 1.197 62.444 61.300 -0.089 0.000 1.374 301 I CB -0.249 37.706 38.000 -0.074 0.000 1.057 301 I HN 0.189 8.399 8.210 -0.000 0.000 0.413 302 E N 0.980 121.114 120.200 -0.111 0.000 2.051 302 E HA -0.189 4.161 4.350 0.001 0.000 0.192 302 E C 1.911 178.379 176.600 -0.220 0.000 0.991 302 E CA 1.229 57.542 56.400 -0.145 0.000 0.799 302 E CB -0.102 29.529 29.700 -0.115 0.000 0.748 302 E HN 0.407 8.767 8.360 -0.000 0.000 0.449 303 N N 0.176 118.779 118.700 -0.162 0.000 2.188 303 N HA -0.167 4.573 4.740 0.001 0.000 0.184 303 N C 1.735 177.151 175.510 -0.155 0.000 1.018 303 N CA 1.032 54.002 53.050 -0.133 0.000 0.858 303 N CB -0.287 38.280 38.487 0.133 0.000 0.989 303 N HN 0.090 8.470 8.380 -0.000 0.000 0.426 304 R N 0.723 121.153 120.500 -0.118 0.000 2.070 304 R HA -0.019 4.322 4.340 0.001 0.000 0.233 304 R C 2.015 178.222 176.300 -0.155 0.000 1.137 304 R CA 0.907 56.950 56.100 -0.096 0.000 0.945 304 R CB -0.464 29.794 30.300 -0.068 0.000 0.845 304 R HN 0.060 8.330 8.270 -0.000 0.000 0.430 305 L N 1.399 122.516 121.223 -0.176 0.000 2.042 305 L HA -0.172 4.169 4.340 0.001 0.000 0.210 305 L C 1.731 178.437 176.870 -0.272 0.000 1.076 305 L CA 1.849 56.579 54.840 -0.183 0.000 0.749 305 L CB -1.313 40.650 42.059 -0.160 0.000 0.893 305 L HN 0.330 8.560 8.230 -0.000 0.000 0.432 306 N N -0.685 117.747 118.700 -0.447 0.000 2.171 306 N HA -0.123 4.617 4.740 0.001 0.000 0.184 306 N C 1.688 176.773 175.510 -0.708 0.000 1.021 306 N CA 1.510 54.147 53.050 -0.688 0.000 0.854 306 N CB -0.057 37.745 38.487 -1.142 0.000 0.994 306 N HN 0.351 8.731 8.380 -0.000 0.000 0.426 307 F N -0.675 119.040 119.950 -0.392 0.000 2.602 307 F HA 0.298 4.825 4.527 0.000 0.000 0.284 307 F C 0.749 176.189 175.800 -0.600 0.000 1.111 307 F CA -0.087 57.462 58.000 -0.750 0.000 1.405 307 F CB 0.309 38.416 39.000 -1.489 0.000 1.121 307 F HN -0.075 8.225 8.300 -0.000 0.000 0.603 308 M N -0.737 118.749 119.600 -0.190 0.000 3.600 308 M HA 0.405 4.885 4.480 0.001 0.000 0.397 308 M C -2.795 173.483 176.300 -0.036 0.000 1.860 308 M CA -1.459 53.809 55.300 -0.053 0.000 0.514 308 M CB 0.704 33.345 32.600 0.068 0.000 1.473 308 M HN -0.265 8.025 8.290 -0.000 0.000 0.485 309 P HA -0.188 4.232 4.420 -0.000 0.000 0.217 309 P C 1.422 178.710 177.300 -0.021 0.000 1.150 309 P CA 1.694 64.763 63.100 -0.052 0.000 0.832 309 P CB 0.033 31.695 31.700 -0.063 0.000 0.787 310 E N 0.082 120.279 120.200 -0.006 0.000 2.170 310 E HA -0.089 4.262 4.350 0.001 0.000 0.191 310 E C 0.993 177.607 176.600 0.023 0.000 0.981 310 E CA 0.562 56.967 56.400 0.007 0.000 0.830 310 E CB -0.961 28.745 29.700 0.011 0.000 0.775 310 E HN 0.150 8.511 8.360 -0.000 0.000 0.470 311 Q N 1.592 121.416 119.800 0.040 0.000 2.392 311 Q HA 0.041 4.381 4.340 0.001 0.000 0.262 311 Q C 1.107 177.143 176.000 0.060 0.000 1.003 311 Q CA 0.194 56.036 55.803 0.065 0.000 0.888 311 Q CB 1.155 29.953 28.738 0.100 0.000 1.260 311 Q HN 0.192 8.462 8.270 -0.000 0.000 0.435 312 R N 2.201 122.743 120.500 0.071 0.000 2.062 312 R HA 0.027 4.367 4.340 0.001 0.000 0.226 312 R C -0.379 175.967 176.300 0.077 0.000 1.125 312 R CA 0.987 57.123 56.100 0.060 0.000 0.966 312 R CB 0.082 30.408 30.300 0.043 0.000 0.861 312 R HN 0.567 8.837 8.270 -0.000 0.000 0.433 313 V N 2.813 122.799 119.914 0.121 0.000 3.796 313 V HA -0.222 3.898 4.120 0.001 0.000 0.495 313 V C 0.439 176.592 176.094 0.098 0.000 0.682 313 V CA 0.958 63.325 62.300 0.112 0.000 1.997 313 V CB -1.751 30.119 31.823 0.078 0.000 2.406 313 V HN 0.476 8.666 8.190 -0.000 0.000 0.506 314 I N 2.183 122.828 120.570 0.124 0.000 2.813 314 I HA 0.161 4.331 4.170 0.001 0.000 0.287 314 I C 1.493 177.651 176.117 0.067 0.000 1.196 314 I CA 0.530 61.890 61.300 0.099 0.000 1.421 314 I CB 0.441 38.512 38.000 0.119 0.000 1.365 314 I HN 0.754 8.964 8.210 -0.000 0.000 0.591 315 N N 4.455 123.189 118.700 0.056 0.000 2.135 315 N HA -0.144 4.596 4.740 0.001 0.000 0.186 315 N C 0.136 175.672 175.510 0.042 0.000 1.027 315 N CA 1.087 54.166 53.050 0.049 0.000 0.849 315 N CB 0.178 38.693 38.487 0.047 0.000 1.002 315 N HN 0.925 9.305 8.380 -0.000 0.000 0.425 316 N N -0.853 117.868 118.700 0.035 0.000 2.396 316 N HA 0.125 4.865 4.740 0.001 0.000 0.275 316 N C -0.856 174.663 175.510 0.015 0.000 1.218 316 N CA -0.569 52.489 53.050 0.014 0.000 0.812 316 N CB 1.475 39.962 38.487 -0.001 0.000 1.592 316 N HN 0.101 8.481 8.380 -0.000 0.000 0.480 317 C N 1.402 120.699 119.300 -0.004 0.000 2.884 317 C HA 0.604 5.064 4.460 0.001 0.000 0.287 317 C C 1.155 176.149 174.990 0.007 0.000 1.310 317 C CA 0.101 59.123 59.018 0.006 0.000 1.725 317 C CB -1.345 26.396 27.740 0.002 0.000 2.060 317 C HN 0.963 9.193 8.230 -0.000 0.000 0.618 318 G N 0.735 109.528 108.800 -0.011 0.000 2.660 318 G HA2 -0.070 3.890 3.960 0.001 0.000 0.247 318 G HA3 -0.070 3.890 3.960 0.001 0.000 0.247 318 G C -0.952 173.903 174.900 -0.075 0.000 1.328 318 G CA -0.754 44.363 45.100 0.028 0.000 0.884 318 G HN 0.501 8.791 8.290 -0.000 0.000 0.531 319 H N -0.877 118.198 119.070 0.008 0.000 2.458 319 H HA 0.561 5.117 4.556 0.001 0.000 0.330 319 H C -0.402 174.894 175.328 -0.052 0.000 1.111 319 H CA -0.204 55.796 56.048 -0.080 0.000 1.245 319 H CB 1.642 31.242 29.762 -0.269 0.000 1.456 319 H HN 0.306 8.586 8.280 -0.000 0.000 0.488 320 I N 4.329 124.931 120.570 0.054 0.000 2.354 320 I HA 0.189 4.359 4.170 0.001 0.000 0.286 320 I C -0.058 176.103 176.117 0.074 0.000 1.007 320 I CA 0.040 61.393 61.300 0.088 0.000 1.167 320 I CB 0.614 38.674 38.000 0.100 0.000 1.320 320 I HN 0.344 8.554 8.210 -0.000 0.000 0.458 321 I N 7.003 127.621 120.570 0.081 0.000 2.382 321 I HA 0.365 4.535 4.170 0.001 0.000 0.286 321 I C -0.181 176.036 176.117 0.166 0.000 1.002 321 I CA -0.639 60.687 61.300 0.044 0.000 1.135 321 I CB 0.804 38.755 38.000 -0.082 0.000 1.288 321 I HN 0.324 8.534 8.210 -0.000 0.000 0.448 322 K N 7.649 128.127 120.400 0.130 0.000 2.274 322 K HA 0.678 4.998 4.320 0.001 0.000 0.262 322 K C -0.970 175.681 176.600 0.084 0.000 0.961 322 K CA -0.630 55.752 56.287 0.159 0.000 0.833 322 K CB 2.550 35.097 32.500 0.078 0.000 1.102 322 K HN 0.490 8.740 8.250 -0.000 0.000 0.436 323 I N 2.563 123.218 120.570 0.142 0.000 2.498 323 I HA 0.302 4.473 4.170 0.001 0.000 0.290 323 I C -0.464 175.638 176.117 -0.025 0.000 1.032 323 I CA -0.805 60.585 61.300 0.151 0.000 1.073 323 I CB 1.832 40.043 38.000 0.352 0.000 1.251 323 I HN 0.443 8.653 8.210 -0.000 0.000 0.426 324 N N 3.646 122.327 118.700 -0.032 0.000 2.229 324 N HA 0.630 5.370 4.740 0.001 0.000 0.298 324 N C -0.846 174.719 175.510 0.091 0.000 1.114 324 N CA -0.584 52.325 53.050 -0.235 0.000 0.776 324 N CB 2.594 40.977 38.487 -0.174 0.000 1.501 324 N HN 0.630 9.010 8.380 -0.000 0.000 0.474 325 A N 0.980 123.846 122.820 0.076 0.000 2.322 325 A HA 0.497 4.817 4.320 0.001 0.000 0.269 325 A C 0.569 178.144 177.584 -0.015 0.000 1.094 325 A CA -0.360 51.741 52.037 0.106 0.000 0.807 325 A CB 0.415 19.544 19.000 0.216 0.000 1.047 325 A HN 0.394 8.544 8.150 -0.000 0.000 0.487 341 A N 3.407 126.047 122.820 -0.300 0.000 2.313 341 A HA 0.816 5.136 4.320 0.001 0.000 0.323 341 A C -1.620 175.660 177.584 -0.508 0.000 1.133 341 A CA -0.499 51.376 52.037 -0.270 0.000 0.847 341 A CB 0.938 19.918 19.000 -0.034 0.000 1.308 341 A HN 0.569 8.719 8.150 -0.000 0.000 0.475 342 Y N -0.131 120.258 120.300 0.147 0.000 2.425 342 Y HA 0.440 4.991 4.550 0.001 0.000 0.344 342 Y C -0.098 175.843 175.900 0.068 0.000 0.969 342 Y CA -0.506 57.686 58.100 0.153 0.000 1.052 342 Y CB 2.077 40.672 38.460 0.226 0.000 1.215 342 Y HN 0.672 8.952 8.280 -0.000 0.000 0.451 343 E N 2.377 122.678 120.200 0.169 0.000 2.174 343 E HA 0.527 4.878 4.350 0.001 0.000 0.282 343 E C -1.214 175.359 176.600 -0.045 0.000 0.992 343 E CA -0.729 55.687 56.400 0.027 0.000 0.803 343 E CB 1.867 31.565 29.700 -0.004 0.000 1.090 343 E HN 0.247 8.607 8.360 -0.000 0.000 0.396 344 V N 2.301 122.052 119.914 -0.272 0.000 2.513 344 V HA 0.354 4.474 4.120 0.001 0.000 0.299 344 V C -0.223 175.633 176.094 -0.397 0.000 1.035 344 V CA -0.657 61.405 62.300 -0.397 0.000 0.889 344 V CB 1.817 33.187 31.823 -0.755 0.000 0.988 344 V HN 0.624 8.814 8.190 -0.000 0.000 0.440 345 S N 3.131 118.716 115.700 -0.191 0.000 2.640 345 S HA 0.501 4.972 4.470 0.001 0.000 0.320 345 S C -0.496 174.072 174.600 -0.053 0.000 1.097 345 S CA -0.362 57.772 58.200 -0.111 0.000 1.092 345 S CB 1.233 64.398 63.200 -0.060 0.000 0.988 345 S HN 0.776 9.086 8.310 -0.000 0.000 0.470 346 S N 4.028 119.725 115.700 -0.006 0.000 2.594 346 S HA 0.592 5.062 4.470 0.001 0.000 0.322 346 S C -0.722 173.894 174.600 0.027 0.000 1.085 346 S CA -0.485 57.737 58.200 0.037 0.000 1.116 346 S CB 0.507 63.780 63.200 0.121 0.000 0.979 346 S HN 0.677 8.987 8.310 -0.000 0.000 0.465 347 S N 4.794 120.488 115.700 -0.011 0.000 2.451 347 S HA 0.524 4.994 4.470 0.001 0.000 0.301 347 S C -0.321 174.178 174.600 -0.169 0.000 1.116 347 S CA -0.615 57.534 58.200 -0.085 0.000 1.093 347 S CB 1.038 64.195 63.200 -0.071 0.000 1.017 347 S HN 0.805 9.115 8.310 -0.000 0.000 0.482 348 I N 3.347 123.750 120.570 -0.277 0.000 2.577 348 I HA 0.435 4.605 4.170 0.001 0.000 0.305 348 I C -0.985 174.964 176.117 -0.280 0.000 0.986 348 I CA -0.980 60.078 61.300 -0.404 0.000 1.189 348 I CB 0.891 38.611 38.000 -0.466 0.000 1.355 348 I HN 0.584 8.794 8.210 -0.000 0.000 0.476 349 L N 8.193 129.282 121.223 -0.223 0.000 2.839 349 L HA 0.380 4.721 4.340 0.001 0.000 0.259 349 L C -2.320 174.501 176.870 -0.082 0.000 1.369 349 L CA -1.579 53.183 54.840 -0.130 0.000 0.845 349 L CB 0.353 42.362 42.059 -0.083 0.000 1.181 349 L HN 0.364 8.594 8.230 -0.000 0.000 0.529 350 P HA 0.021 4.441 4.420 -0.000 0.000 0.269 350 P C 0.175 177.497 177.300 0.037 0.000 1.209 350 P CA 0.177 63.273 63.100 -0.007 0.000 0.776 350 P CB 1.019 32.737 31.700 0.029 0.000 0.876 351 S N 2.015 117.748 115.700 0.055 0.000 2.585 351 S HA 0.130 4.600 4.470 0.001 0.000 0.273 351 S C -0.176 174.510 174.600 0.144 0.000 1.339 351 S CA -0.184 58.063 58.200 0.078 0.000 1.028 351 S CB 0.210 63.445 63.200 0.058 0.000 0.906 351 S HN 0.667 8.977 8.310 -0.000 0.000 0.528 352 H N 2.107 121.198 119.070 0.035 0.000 3.018 352 H HA 0.303 4.859 4.556 0.001 0.000 0.334 352 H C -1.176 174.193 175.328 0.068 0.000 0.983 352 H CA -0.798 55.278 56.048 0.046 0.000 1.363 352 H CB 0.850 30.639 29.762 0.046 0.000 1.668 352 H HN 0.534 8.814 8.280 -0.000 0.000 0.513 353 I N 5.236 125.656 120.570 -0.250 0.000 2.471 353 I HA 0.014 4.184 4.170 0.001 0.000 0.286 353 I C 1.431 177.488 176.117 -0.099 0.000 1.079 353 I CA 0.162 61.419 61.300 -0.073 0.000 1.398 353 I CB 0.583 38.589 38.000 0.011 0.000 1.403 353 I HN 0.578 8.788 8.210 -0.000 0.000 0.530 354 T N 2.051 116.663 114.554 0.097 0.000 2.870 354 T HA 0.254 4.604 4.350 0.001 0.000 0.277 354 T C 1.265 176.054 174.700 0.148 0.000 1.000 354 T CA -0.543 61.638 62.100 0.134 0.000 0.982 354 T CB 1.390 70.331 68.868 0.122 0.000 1.249 354 T HN 0.717 8.957 8.240 -0.000 0.000 0.589 355 C N 0.180 119.508 119.300 0.048 0.000 2.511 355 C HA 0.245 4.705 4.460 0.001 0.000 0.277 355 C C 1.446 176.289 174.990 -0.246 0.000 1.451 355 C CA -0.117 58.712 59.018 -0.315 0.000 1.735 355 C CB -2.038 25.650 27.740 -0.087 0.000 1.704 355 C HN 0.739 8.969 8.230 -0.000 0.000 0.571 356 N N 0.681 119.315 118.700 -0.109 0.000 2.227 356 N HA 0.414 5.154 4.740 0.001 0.000 0.196 356 N C 0.895 176.082 175.510 -0.539 0.000 1.142 356 N CA 1.254 54.148 53.050 -0.260 0.000 0.887 356 N CB 1.123 39.508 38.487 -0.170 0.000 1.022 356 N HN 0.784 9.164 8.380 -0.000 0.000 0.500 357 G N -0.605 108.039 108.800 -0.259 0.000 2.334 357 G HA2 -0.019 3.942 3.960 0.001 0.000 0.249 357 G HA3 -0.019 3.942 3.960 0.001 0.000 0.249 357 G C -1.693 173.234 174.900 0.044 0.000 1.327 357 G CA -0.642 44.287 45.100 -0.286 0.000 0.979 357 G HN -0.121 8.169 8.290 -0.000 0.000 0.471 358 V N 2.162 122.076 119.914 0.001 0.000 2.387 358 V HA 0.586 4.706 4.120 0.001 0.000 0.260 358 V C 1.263 177.370 176.094 0.022 0.000 1.054 358 V CA 0.764 63.086 62.300 0.036 0.000 0.967 358 V CB 0.099 31.930 31.823 0.014 0.000 1.036 358 V HN 1.294 9.484 8.190 -0.000 0.000 0.481 359 G N 4.458 113.297 108.800 0.065 0.000 2.795 359 G HA2 0.824 4.785 3.960 0.001 0.000 0.267 359 G HA3 0.824 4.785 3.960 0.001 0.000 0.267 359 G C -0.899 174.060 174.900 0.099 0.000 1.362 359 G CA -0.738 44.409 45.100 0.078 0.000 1.048 359 G HN 0.525 8.815 8.290 -0.000 0.000 0.547 360 I N -0.096 120.528 120.570 0.090 0.000 2.647 360 I HA 0.246 4.416 4.170 0.001 0.000 0.295 360 I C -1.177 174.960 176.117 0.032 0.000 1.078 360 I CA -0.880 60.457 61.300 0.063 0.000 1.048 360 I CB 2.627 40.635 38.000 0.013 0.000 1.239 360 I HN 0.367 8.577 8.210 -0.000 0.000 0.421 361 N N 5.665 124.370 118.700 0.008 0.000 2.527 361 N HA 0.147 4.887 4.740 0.001 0.000 0.236 361 N C -0.685 174.753 175.510 -0.121 0.000 0.999 361 N CA -0.448 52.559 53.050 -0.072 0.000 0.935 361 N CB 0.744 39.193 38.487 -0.063 0.000 1.132 361 N HN 0.440 8.820 8.380 -0.000 0.000 0.511 362 K N 4.472 124.797 120.400 -0.124 0.000 2.378 362 K HA 0.199 4.519 4.320 0.001 0.000 0.288 362 K C -0.620 175.777 176.600 -0.338 0.000 1.057 362 K CA -0.052 56.130 56.287 -0.176 0.000 0.971 362 K CB 0.290 32.728 32.500 -0.102 0.000 0.975 362 K HN 0.570 8.820 8.250 -0.000 0.000 0.475 363 I N 4.498 124.793 120.570 -0.459 0.000 2.382 363 I HA 0.179 4.349 4.170 0.001 0.000 0.285 363 I C -0.303 175.569 176.117 -0.408 0.000 1.007 363 I CA -0.608 60.263 61.300 -0.714 0.000 1.142 363 I CB 1.623 39.034 38.000 -0.982 0.000 1.289 363 I HN 0.664 8.874 8.210 -0.000 0.000 0.453 364 E N 5.389 125.426 120.200 -0.273 0.000 2.171 364 E HA 0.519 4.869 4.350 0.001 0.000 0.271 364 E C -1.255 175.321 176.600 -0.040 0.000 0.916 364 E CA -0.447 55.881 56.400 -0.121 0.000 0.774 364 E CB 1.670 31.328 29.700 -0.070 0.000 1.128 364 E HN 0.489 8.849 8.360 -0.000 0.000 0.403 365 T N 2.562 117.137 114.554 0.035 0.000 2.824 365 T HA 0.403 4.753 4.350 0.001 0.000 0.282 365 T C -0.735 174.070 174.700 0.175 0.000 0.993 365 T CA -0.842 61.345 62.100 0.144 0.000 0.967 365 T CB 1.350 70.356 68.868 0.230 0.000 0.960 365 T HN 0.484 8.724 8.240 -0.000 0.000 0.441 366 S N 2.472 118.272 115.700 0.168 0.000 2.536 366 S HA 0.921 5.391 4.470 0.001 0.000 0.298 366 S C -1.129 173.601 174.600 0.217 0.000 1.083 366 S CA -0.868 57.367 58.200 0.058 0.000 0.995 366 S CB 1.283 64.481 63.200 -0.003 0.000 1.058 366 S HN 0.889 9.199 8.310 -0.000 0.000 0.488 367 Y N -0.909 119.432 120.300 0.069 0.000 2.741 367 Y HA 0.733 5.283 4.550 0.001 0.000 0.339 367 Y C -2.087 173.864 175.900 0.084 0.000 1.226 367 Y CA -1.580 56.566 58.100 0.076 0.000 1.072 367 Y CB 0.332 38.852 38.460 0.100 0.000 1.331 367 Y HN 0.631 8.911 8.280 -0.000 0.000 0.453 368 L N 2.048 123.430 121.223 0.265 0.000 2.309 368 L HA 0.733 5.074 4.340 0.001 0.000 0.282 368 L C -0.862 176.180 176.870 0.286 0.000 1.036 368 L CA -0.754 54.205 54.840 0.198 0.000 0.806 368 L CB 1.829 43.977 42.059 0.148 0.000 1.220 368 L HN 0.624 8.854 8.230 -0.000 0.000 0.429 369 V N 4.270 124.337 119.914 0.254 0.000 2.357 369 V HA 0.295 4.416 4.120 0.001 0.000 0.284 369 V C 0.154 176.341 176.094 0.156 0.000 1.018 369 V CA -0.852 61.572 62.300 0.206 0.000 0.841 369 V CB 0.805 32.760 31.823 0.220 0.000 0.991 369 V HN 0.828 9.018 8.190 -0.000 0.000 0.437 370 H N 3.898 123.048 119.070 0.132 0.000 2.757 370 H HA 0.321 4.877 4.556 0.001 0.000 0.370 370 H C 1.239 176.633 175.328 0.110 0.000 1.172 370 H CA 0.053 56.157 56.048 0.094 0.000 1.426 370 H CB 1.460 31.260 29.762 0.064 0.000 1.438 370 H HN 0.581 8.861 8.280 -0.000 0.000 0.612 371 A N 2.586 125.535 122.820 0.216 0.000 1.948 371 A HA -0.134 4.186 4.320 0.001 0.000 0.220 371 A C 2.273 179.952 177.584 0.158 0.000 1.177 371 A CA 1.686 53.816 52.037 0.155 0.000 0.636 371 A CB -1.095 17.980 19.000 0.125 0.000 0.815 371 A HN 0.903 9.053 8.150 -0.000 0.000 0.449 372 G N -0.978 107.997 108.800 0.292 0.000 3.314 372 G HA2 0.332 4.293 3.960 0.001 0.000 0.238 372 G HA3 0.332 4.293 3.960 0.001 0.000 0.238 372 G C 0.289 175.234 174.900 0.075 0.000 1.184 372 G CA 0.355 45.578 45.100 0.204 0.000 0.806 372 G HN 0.326 8.616 8.290 -0.000 0.000 0.536 373 T N 1.683 116.096 114.554 -0.235 0.000 2.888 373 T HA 0.284 4.635 4.350 0.001 0.000 0.301 373 T C 0.356 175.022 174.700 -0.058 0.000 1.001 373 T CA 0.167 62.105 62.100 -0.268 0.000 1.147 373 T CB 1.254 69.889 68.868 -0.389 0.000 0.931 373 T HN -0.002 8.238 8.240 -0.000 0.000 0.541 374 L N 5.863 127.076 121.223 -0.016 0.000 2.312 374 L HA 0.330 4.671 4.340 0.001 0.000 0.281 374 L C -1.962 174.927 176.870 0.032 0.000 1.070 374 L CA -2.475 52.379 54.840 0.023 0.000 0.805 374 L CB 0.929 43.013 42.059 0.041 0.000 1.174 374 L HN 0.367 8.597 8.230 -0.000 0.000 0.434 375 P HA 0.051 4.471 4.420 -0.000 0.000 0.249 375 P C -0.734 176.800 177.300 0.389 0.000 1.737 375 P CA 0.090 63.312 63.100 0.204 0.000 1.128 375 P CB 0.047 31.823 31.700 0.128 0.000 1.942 376 S N -0.589 115.228 115.700 0.196 0.000 2.596 376 S HA 0.378 4.848 4.470 0.001 0.000 0.270 376 S C 1.006 175.479 174.600 -0.213 0.000 1.155 376 S CA -0.535 57.740 58.200 0.126 0.000 0.827 376 S CB 0.989 64.257 63.200 0.114 0.000 1.130 376 S HN -0.029 8.281 8.310 -0.000 0.000 0.467 377 S N 0.763 116.266 115.700 -0.330 0.000 2.383 377 S HA -0.150 4.320 4.470 0.001 0.000 0.229 377 S C 1.623 176.090 174.600 -0.222 0.000 1.030 377 S CA 1.654 59.646 58.200 -0.347 0.000 1.002 377 S CB -0.614 62.394 63.200 -0.321 0.000 0.829 377 S HN 0.834 9.144 8.310 -0.000 0.000 0.467 378 E N 1.151 121.271 120.200 -0.133 0.000 2.031 378 E HA -0.122 4.228 4.350 0.001 0.000 0.193 378 E C 2.324 178.866 176.600 -0.097 0.000 0.994 378 E CA 1.145 57.494 56.400 -0.085 0.000 0.800 378 E CB -0.618 29.060 29.700 -0.037 0.000 0.752 378 E HN 0.481 8.841 8.360 -0.000 0.000 0.447 379 G N 1.572 110.317 108.800 -0.092 0.000 2.476 379 G HA2 -0.276 3.685 3.960 0.001 0.000 0.218 379 G HA3 -0.276 3.685 3.960 0.001 0.000 0.218 379 G C 1.606 176.391 174.900 -0.192 0.000 1.164 379 G CA 1.127 46.172 45.100 -0.090 0.000 0.768 379 G HN 0.219 8.509 8.290 -0.000 0.000 0.560 380 L N 0.694 121.694 121.223 -0.372 0.000 1.988 380 L HA -0.081 4.259 4.340 0.001 0.000 0.207 380 L C 3.212 179.678 176.870 -0.673 0.000 1.071 380 L CA 1.758 56.154 54.840 -0.741 0.000 0.744 380 L CB -0.596 40.660 42.059 -1.337 0.000 0.893 380 L HN 0.353 8.583 8.230 -0.000 0.000 0.433 381 R N 0.021 120.291 120.500 -0.383 0.000 2.120 381 R HA -0.139 4.201 4.340 0.001 0.000 0.234 381 R C 1.741 178.041 176.300 0.000 0.000 1.123 381 R CA 1.569 57.672 56.100 0.006 0.000 0.975 381 R CB -0.615 29.730 30.300 0.075 0.000 0.866 381 R HN 0.439 8.709 8.270 -0.000 0.000 0.446 382 N N 1.002 119.679 118.700 -0.039 0.000 2.250 382 N HA -0.025 4.716 4.740 0.001 0.000 0.181 382 N C 1.764 177.301 175.510 0.044 0.000 1.017 382 N CA 1.338 54.397 53.050 0.015 0.000 0.866 382 N CB 0.015 38.514 38.487 0.021 0.000 0.985 382 N HN 0.388 8.768 8.380 -0.000 0.000 0.429 383 A N 0.823 123.654 122.820 0.019 0.000 1.968 383 A HA 0.088 4.408 4.320 0.001 0.000 0.217 383 A C 1.222 178.840 177.584 0.055 0.000 1.169 383 A CA 0.723 52.818 52.037 0.097 0.000 0.638 383 A CB -0.012 18.982 19.000 -0.010 0.000 0.812 383 A HN 0.218 8.368 8.150 -0.000 0.000 0.446 384 I N 1.004 121.552 120.570 -0.037 0.000 2.905 384 I HA 0.217 4.387 4.170 0.001 0.000 0.297 384 I C -2.723 173.443 176.117 0.081 0.000 1.358 384 I CA -1.913 59.373 61.300 -0.023 0.000 0.975 384 I CB 1.275 39.153 38.000 -0.204 0.000 1.857 384 I HN 0.037 8.247 8.210 -0.000 0.000 0.612 385 P HA 0.191 4.611 4.420 -0.000 0.000 0.272 385 P C -2.157 175.201 177.300 0.096 0.000 1.223 385 P CA -1.226 61.943 63.100 0.115 0.000 0.784 385 P CB 0.570 32.320 31.700 0.083 0.000 0.923 386 P HA -0.246 4.174 4.420 -0.000 0.000 0.217 386 P C 1.517 178.810 177.300 -0.013 0.000 1.158 386 P CA 1.978 65.147 63.100 0.114 0.000 0.887 386 P CB -0.310 31.520 31.700 0.217 0.000 0.792 387 E N -0.328 119.759 120.200 -0.188 0.000 2.209 387 E HA -0.139 4.211 4.350 0.001 0.000 0.196 387 E C 1.267 177.726 176.600 -0.235 0.000 0.993 387 E CA 1.643 57.722 56.400 -0.535 0.000 0.819 387 E CB -0.914 28.185 29.700 -1.002 0.000 0.745 387 E HN 0.329 8.689 8.360 -0.000 0.000 0.477 388 S N 0.175 115.824 115.700 -0.086 0.000 2.556 388 S HA 0.169 4.640 4.470 0.001 0.000 0.216 388 S C 0.542 175.190 174.600 0.080 0.000 0.970 388 S CA -0.520 57.681 58.200 0.002 0.000 0.912 388 S CB 0.081 63.305 63.200 0.040 0.000 0.790 388 S HN 0.077 8.387 8.310 -0.000 0.000 0.504 389 R N 1.671 122.215 120.500 0.073 0.000 2.312 389 R HA 0.454 4.795 4.340 0.001 0.000 0.311 389 R C -0.404 175.965 176.300 0.114 0.000 1.004 389 R CA -0.318 55.868 56.100 0.144 0.000 0.902 389 R CB 0.938 31.314 30.300 0.126 0.000 1.073 389 R HN 0.303 8.573 8.270 -0.000 0.000 0.457 390 Q N 2.444 122.326 119.800 0.136 0.000 2.293 390 Q HA 0.389 4.729 4.340 0.001 0.000 0.261 390 Q C -1.274 174.794 176.000 0.113 0.000 0.960 390 Q CA -0.666 55.197 55.803 0.101 0.000 0.882 390 Q CB 1.732 30.514 28.738 0.074 0.000 1.275 390 Q HN 0.364 8.634 8.270 -0.000 0.000 0.445 391 V N 3.150 123.134 119.914 0.117 0.000 2.555 391 V HA 0.603 4.723 4.120 0.001 0.000 0.302 391 V C -0.544 175.654 176.094 0.173 0.000 1.038 391 V CA -0.419 61.965 62.300 0.139 0.000 0.887 391 V CB 1.738 33.671 31.823 0.183 0.000 0.991 391 V HN 0.931 9.121 8.190 -0.000 0.000 0.434 392 S N 3.782 119.569 115.700 0.146 0.000 2.588 392 S HA 0.872 5.342 4.470 0.001 0.000 0.275 392 S C -1.353 173.354 174.600 0.180 0.000 1.130 392 S CA -0.649 57.673 58.200 0.204 0.000 0.855 392 S CB 2.073 65.339 63.200 0.109 0.000 1.116 392 S HN 0.281 8.591 8.310 -0.000 0.000 0.472 393 F N 0.223 120.180 119.950 0.011 0.000 2.577 393 F HA 0.898 5.425 4.527 0.000 0.000 0.318 393 F C 0.295 176.094 175.800 -0.001 0.000 1.065 393 F CA -0.241 57.754 58.000 -0.008 0.000 0.929 393 F CB 2.392 41.387 39.000 -0.008 0.000 1.237 393 F HN 1.115 9.415 8.300 -0.000 0.000 0.468 394 A N 2.532 125.425 122.820 0.123 0.000 2.594 394 A HA 0.812 5.132 4.320 0.001 0.000 0.295 394 A C -1.614 175.985 177.584 0.025 0.000 1.071 394 A CA -0.561 51.526 52.037 0.083 0.000 0.685 394 A CB 1.254 20.284 19.000 0.049 0.000 1.285 394 A HN 0.642 8.792 8.150 -0.000 0.000 0.405 395 I N 1.432 122.006 120.570 0.008 0.000 2.377 395 I HA 0.403 4.573 4.170 0.001 0.000 0.293 395 I C -1.130 174.989 176.117 0.003 0.000 0.987 395 I CA -0.564 60.714 61.300 -0.036 0.000 1.185 395 I CB 1.620 39.571 38.000 -0.081 0.000 1.341 395 I HN 0.451 8.661 8.210 -0.000 0.000 0.455 396 I N 5.422 125.999 120.570 0.011 0.000 2.389 396 I HA 0.262 4.433 4.170 0.001 0.000 0.288 396 I C 0.046 176.183 176.117 0.034 0.000 0.999 396 I CA 0.082 61.391 61.300 0.015 0.000 1.129 396 I CB 1.758 39.760 38.000 0.004 0.000 1.288 396 I HN 0.398 8.608 8.210 -0.000 0.000 0.444 397 S N 7.225 122.940 115.700 0.024 0.000 2.501 397 S HA 0.716 5.187 4.470 0.001 0.000 0.301 397 S C -2.649 171.943 174.600 -0.012 0.000 1.096 397 S CA -1.694 56.520 58.200 0.023 0.000 1.063 397 S CB 1.317 64.535 63.200 0.029 0.000 1.042 397 S HN 0.200 8.510 8.310 -0.000 0.000 0.494 398 P HA 0.161 4.581 4.420 -0.000 0.000 0.269 398 P C -0.441 176.815 177.300 -0.073 0.000 1.215 398 P CA -0.200 62.860 63.100 -0.066 0.000 0.780 398 P CB 0.379 32.014 31.700 -0.109 0.000 0.898 399 D N 0.000 120.356 120.400 -0.073 0.000 6.856 399 D HA 0.000 4.640 4.640 0.001 0.000 0.175 399 D CA 0.000 53.958 54.000 -0.070 0.000 0.868 399 D CB 0.000 40.767 40.800 -0.055 0.000 0.688 399 D HN 0.000 8.370 8.370 -0.000 0.000 0.683