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 1ak7_1_A DATA FIRST_RESID -8 DATA SEQUENCE TMITPSSGNS ASGVQVADEV CRIFYDMKVR KCSTPEEIKK RKKAVIFCLS DATA SEQUENCE ADKKCIIVEE GKEILVGDVG VTITDPFKHF VGMLPEKDCR YALYDASFET DATA SEQUENCE KESRKEELMF FLWAPELAPL KSKMIYASSK DAIKKKFQGI KHECQANGPE DATA SEQUENCE DLNRACIAEK LGGSLIVAFE GCPV 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 -8 T HA 0.000 4.345 4.350 -0.008 0.000 0.228 -8 T C 0.000 174.695 174.700 -0.009 0.000 1.109 -8 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 -8 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 -7 M N 4.327 123.922 119.600 -0.008 0.000 2.205 -7 M HA 0.418 4.893 4.480 -0.009 0.000 0.344 -7 M C -0.338 175.956 176.300 -0.010 0.000 1.085 -7 M CA -1.029 54.265 55.300 -0.009 0.000 1.001 -7 M CB 0.897 33.492 32.600 -0.008 0.000 1.626 -7 M HN -0.233 8.052 8.290 -0.008 0.000 0.442 -6 I N 0.647 121.210 120.570 -0.012 0.000 3.076 -6 I HA 0.462 4.624 4.170 -0.013 0.000 0.313 -6 I C -0.645 175.464 176.117 -0.013 0.000 1.053 -6 I CA -0.411 60.881 61.300 -0.013 0.000 1.048 -6 I CB 1.227 39.218 38.000 -0.015 0.000 1.264 -6 I HN 0.257 8.460 8.210 -0.012 0.000 0.498 -5 T N -0.059 114.487 114.554 -0.014 0.000 3.523 -5 T HA 0.353 4.694 4.350 -0.014 0.000 0.265 -5 T C -1.863 172.827 174.700 -0.016 0.000 0.986 -5 T CA -1.236 60.855 62.100 -0.014 0.000 1.616 -5 T CB -0.485 68.376 68.868 -0.012 0.000 0.803 -5 T HN -0.047 8.184 8.240 -0.015 0.000 0.603 -4 P HA 0.218 4.626 4.420 -0.021 0.000 0.297 -4 P C -0.507 176.780 177.300 -0.021 0.000 1.303 -4 P CA -0.962 62.125 63.100 -0.022 0.000 0.753 -4 P CB 0.592 32.276 31.700 -0.027 0.000 1.281 -3 S N -0.585 115.101 115.700 -0.024 0.000 2.502 -3 S HA 0.055 4.514 4.470 -0.018 0.000 0.251 -3 S C 0.080 174.666 174.600 -0.023 0.000 1.254 -3 S CA 0.415 58.602 58.200 -0.022 0.000 0.989 -3 S CB 0.584 63.770 63.200 -0.023 0.000 1.015 -3 S HN 0.132 8.426 8.310 -0.026 0.000 0.529 -2 S N 0.161 115.848 115.700 -0.022 0.000 2.386 -2 S HA 0.356 4.812 4.470 -0.024 0.000 0.152 -2 S C -0.807 173.779 174.600 -0.023 0.000 1.511 -2 S CA -0.597 57.590 58.200 -0.022 0.000 1.246 -2 S CB 0.991 64.181 63.200 -0.017 0.000 1.338 -2 S HN 0.120 8.417 8.310 -0.021 0.000 0.409 -1 G N 2.360 111.142 108.800 -0.029 0.000 3.645 -1 G HA2 0.069 4.014 3.960 -0.025 0.000 0.122 -1 G HA3 0.069 4.013 3.960 -0.027 0.000 0.122 -1 G C -1.628 173.246 174.900 -0.043 0.000 1.252 -1 G CA 0.951 46.033 45.100 -0.030 0.000 1.225 -1 G HN -0.636 7.633 8.290 -0.034 0.000 0.541 0 N N 0.405 119.073 118.700 -0.053 0.000 2.467 0 N HA 0.058 4.887 4.740 -0.084 -0.139 0.184 0 N C 1.745 177.200 175.510 -0.092 0.000 1.106 0 N CA 1.260 54.261 53.050 -0.080 0.000 0.892 0 N CB -0.185 38.250 38.487 -0.087 0.000 0.969 0 N HN 0.172 8.524 8.380 -0.046 0.000 0.454 1 S N 0.471 116.130 115.700 -0.069 0.000 2.368 1 S HA -0.185 4.238 4.470 -0.078 0.000 0.224 1 S C 0.224 174.784 174.600 -0.067 0.000 1.029 1 S CA 2.441 60.600 58.200 -0.067 0.000 0.988 1 S CB -0.199 62.972 63.200 -0.048 0.000 0.838 1 S HN -0.060 8.231 8.310 -0.056 -0.014 0.462 2 A N -0.091 122.695 122.820 -0.055 0.000 2.507 2 A HA 0.220 4.512 4.320 -0.047 0.000 0.270 2 A C -1.566 175.987 177.584 -0.052 0.000 1.318 2 A CA -0.811 51.198 52.037 -0.047 0.000 0.924 2 A CB -0.256 18.725 19.000 -0.032 0.000 1.061 2 A HN -0.047 8.073 8.150 -0.050 0.000 0.516 3 S N -2.715 112.939 115.700 -0.076 0.000 3.285 3 S HA -0.211 4.182 4.470 -0.129 0.000 0.787 3 S C -0.917 173.648 174.600 -0.058 0.000 0.607 3 S CA 0.546 58.696 58.200 -0.083 0.000 1.506 3 S CB -1.307 61.862 63.200 -0.052 0.000 1.010 3 S HN -0.620 7.411 8.310 -0.089 0.225 0.914 4 G N 2.917 111.677 108.800 -0.068 0.000 5.021 4 G HA2 0.145 4.088 3.960 -0.029 0.000 0.254 4 G HA3 0.145 4.106 3.960 -0.039 -0.024 0.254 4 G C -1.295 173.582 174.900 -0.038 0.000 0.932 4 G CA -0.423 44.652 45.100 -0.042 0.000 0.743 4 G HN 0.116 8.348 8.290 -0.097 0.000 0.441 5 V N -2.121 117.766 119.914 -0.044 0.000 3.336 5 V HA 0.025 4.051 4.120 -0.022 0.081 0.304 5 V C -1.681 174.415 176.094 0.003 0.000 1.073 5 V CA -1.820 60.466 62.300 -0.023 0.000 1.074 5 V CB 1.166 32.972 31.823 -0.029 0.000 1.161 5 V HN -0.542 7.614 8.190 -0.057 0.000 0.460 6 Q N -0.371 119.439 119.800 0.017 0.000 2.163 6 Q HA 0.048 4.393 4.340 0.008 0.000 0.267 6 Q C -1.272 174.736 176.000 0.012 0.000 0.833 6 Q CA -1.369 54.441 55.803 0.012 0.000 1.033 6 Q CB 0.323 29.067 28.738 0.010 0.000 1.318 6 Q HN 0.142 8.448 8.270 0.026 -0.021 0.396 7 V N -2.302 117.623 119.914 0.019 0.000 3.673 7 V HA -0.385 3.795 4.120 0.006 -0.056 0.521 7 V C -1.496 174.616 176.094 0.030 0.000 0.682 7 V CA 0.950 63.248 62.300 -0.003 0.000 2.075 7 V CB -0.304 31.478 31.823 -0.068 0.000 2.486 7 V HN -0.208 8.035 8.190 0.038 -0.031 0.514 8 A N 6.923 129.785 122.820 0.070 0.000 2.216 8 A HA -0.229 4.156 4.320 0.109 0.000 0.214 8 A C 0.061 177.694 177.584 0.082 0.000 1.160 8 A CA 1.745 53.852 52.037 0.117 0.000 0.725 8 A CB -0.318 18.831 19.000 0.248 0.000 0.784 8 A HN 0.442 8.636 8.150 0.073 0.000 0.472 9 D N -6.457 113.960 120.400 0.029 0.000 2.830 9 D HA -0.327 4.303 4.640 -0.018 0.000 0.209 9 D C 1.023 177.332 176.300 0.015 0.000 1.315 9 D CA 2.774 56.783 54.000 0.015 0.000 1.965 9 D CB -1.993 38.835 40.800 0.046 0.000 1.343 9 D HN 0.518 8.804 8.370 -0.003 0.082 0.542 10 E N 1.557 121.807 120.200 0.084 0.000 2.265 10 E HA -0.275 4.145 4.350 0.117 0.000 0.196 10 E C 1.136 177.747 176.600 0.018 0.000 0.996 10 E CA 2.434 58.912 56.400 0.130 0.000 0.832 10 E CB -0.438 29.433 29.700 0.285 0.000 0.756 10 E HN -0.203 8.118 8.360 0.121 0.111 0.491 11 V N -2.007 117.836 119.914 -0.119 0.000 2.591 11 V HA -0.257 3.614 4.120 -0.415 0.000 0.249 11 V C 0.822 176.858 176.094 -0.096 0.000 1.053 11 V CA 2.490 64.627 62.300 -0.272 0.000 1.068 11 V CB -0.381 31.216 31.823 -0.376 0.000 0.689 11 V HN -0.425 7.769 8.190 -0.054 -0.037 0.462 12 C N -3.353 115.842 119.300 -0.175 0.000 2.443 12 C HA -0.167 4.115 4.460 -0.296 0.000 0.290 12 C C 0.274 174.746 174.990 -0.863 0.000 1.476 12 C CA 0.971 59.747 59.018 -0.403 0.000 1.772 12 C CB -0.760 26.784 27.740 -0.326 0.000 1.714 12 C HN -0.440 7.563 8.230 -0.134 0.146 0.562 13 R N -1.843 118.468 120.500 -0.315 0.000 2.279 13 R HA 0.099 4.473 4.340 0.057 0.000 0.195 13 R C 1.074 177.399 176.300 0.042 0.000 0.905 13 R CA 0.384 56.461 56.100 -0.039 0.000 1.044 13 R CB 0.016 30.399 30.300 0.138 0.000 1.056 13 R HN -0.407 7.621 8.270 -0.151 0.151 0.535 14 I N 1.158 121.734 120.570 0.011 0.000 2.113 14 I HA -0.459 3.773 4.170 0.104 0.000 0.238 14 I C 2.511 178.591 176.117 -0.061 0.000 1.070 14 I CA 4.386 65.713 61.300 0.045 0.000 1.332 14 I CB -0.044 37.966 38.000 0.016 0.000 1.044 14 I HN -0.191 7.762 8.210 -0.039 0.233 0.402 15 F N 1.073 120.847 119.950 -0.293 0.000 2.069 15 F HA -0.391 3.686 4.527 -0.749 0.000 0.298 15 F C 1.075 176.800 175.800 -0.126 0.000 1.113 15 F CA 3.938 61.609 58.000 -0.549 0.000 1.214 15 F CB -0.097 38.461 39.000 -0.736 0.000 0.978 15 F HN -0.358 8.034 8.300 0.153 0.000 0.474 16 Y N -2.986 116.937 120.300 -0.628 0.000 2.219 16 Y HA -0.401 3.600 4.550 -0.914 0.000 0.283 16 Y C 0.601 176.199 175.900 -0.503 0.000 1.191 16 Y CA 1.718 59.444 58.100 -0.623 0.000 1.199 16 Y CB -0.855 37.520 38.460 -0.141 0.000 0.972 16 Y HN -0.145 8.170 8.280 0.058 0.000 0.527 17 D N -3.679 116.624 120.400 -0.162 0.000 2.390 17 D HA 0.083 4.637 4.640 -0.143 0.000 0.279 17 D C -0.661 175.513 176.300 -0.211 0.000 1.193 17 D CA -0.523 53.394 54.000 -0.139 0.000 1.112 17 D CB 1.376 42.160 40.800 -0.026 0.000 1.182 17 D HN -0.579 7.565 8.370 -0.109 0.161 0.569 18 M N -7.202 112.309 119.600 -0.147 0.000 2.523 18 M HA -0.461 3.948 4.480 -0.183 -0.038 0.184 18 M C -0.594 175.574 176.300 -0.219 0.000 0.538 18 M CA 1.331 56.522 55.300 -0.182 0.000 0.466 18 M CB -3.064 29.442 32.600 -0.156 0.000 1.661 18 M HN 0.273 8.507 8.290 -0.093 0.000 0.748 19 K N -1.775 118.489 120.400 -0.228 0.000 2.849 19 K HA -0.077 4.103 4.320 -0.234 0.000 0.175 19 K C 0.472 176.964 176.600 -0.180 0.000 1.113 19 K CA 0.907 57.058 56.287 -0.227 0.000 1.286 19 K CB 0.454 32.801 32.500 -0.254 0.000 1.776 19 K HN -0.169 7.885 8.250 -0.213 0.068 0.472 20 V N -2.331 117.486 119.914 -0.161 0.000 5.999 20 V HA 0.103 4.128 4.120 -0.157 0.000 0.092 20 V C -0.152 175.868 176.094 -0.123 0.000 1.004 20 V CA -0.512 61.700 62.300 -0.146 0.000 1.274 20 V CB 1.654 33.392 31.823 -0.141 0.000 2.420 20 V HN 0.049 8.142 8.190 -0.162 0.000 0.342 21 R N -0.986 119.449 120.500 -0.109 0.000 2.323 21 R HA -0.091 4.198 4.340 -0.085 0.000 0.198 21 R C 0.393 176.642 176.300 -0.086 0.000 0.988 21 R CA 0.551 56.598 56.100 -0.089 0.000 1.041 21 R CB -1.085 29.167 30.300 -0.079 0.000 0.926 21 R HN 0.171 8.375 8.270 -0.110 0.000 0.476 22 K N -2.237 118.102 120.400 -0.101 0.000 2.293 22 K HA -0.239 4.024 4.320 -0.095 0.000 0.204 22 K C -0.274 176.276 176.600 -0.082 0.000 1.045 22 K CA 1.140 57.366 56.287 -0.101 0.000 0.933 22 K CB -0.365 32.056 32.500 -0.132 0.000 0.736 22 K HN -0.234 7.856 8.250 -0.115 0.091 0.463 23 C N -0.437 118.818 119.300 -0.076 0.000 2.409 23 C HA -0.204 4.225 4.460 -0.051 0.000 0.399 23 C C 1.036 175.998 174.990 -0.047 0.000 1.505 23 C CA 1.214 60.199 59.018 -0.056 0.000 1.435 23 C CB -0.288 27.422 27.740 -0.050 0.000 2.462 23 C HN -0.760 7.366 8.230 -0.084 0.054 0.619 24 S N 4.239 119.915 115.700 -0.040 0.000 2.412 24 S HA -0.381 4.067 4.470 -0.037 0.000 0.246 24 S C 0.139 174.722 174.600 -0.030 0.000 1.073 24 S CA 3.100 61.280 58.200 -0.033 0.000 1.186 24 S CB 0.281 63.467 63.200 -0.023 0.000 1.084 24 S HN 0.422 8.708 8.310 -0.039 0.000 0.434 25 T N -1.910 112.629 114.554 -0.025 0.000 3.143 25 T HA 0.390 4.724 4.350 -0.026 0.000 0.312 25 T C -2.033 172.655 174.700 -0.020 0.000 0.986 25 T CA -2.339 59.748 62.100 -0.022 0.000 1.024 25 T CB 1.347 70.206 68.868 -0.016 0.000 1.030 25 T HN -0.535 7.707 8.240 -0.022 -0.016 0.448 26 P HA -0.006 4.400 4.420 -0.023 0.000 0.234 26 P C 0.536 177.829 177.300 -0.011 0.000 1.167 26 P CA 1.064 64.151 63.100 -0.021 0.000 0.763 26 P CB 0.105 31.788 31.700 -0.029 0.000 0.835 27 E N -3.172 117.022 120.200 -0.009 0.000 2.482 27 E HA -0.216 4.132 4.350 -0.003 0.000 0.196 27 E C 0.205 176.806 176.600 0.001 0.000 1.047 27 E CA 2.052 58.450 56.400 -0.004 0.000 0.869 27 E CB -0.401 29.296 29.700 -0.005 0.000 0.836 27 E HN 0.501 8.775 8.360 -0.012 0.078 0.520 28 E N -5.093 115.107 120.200 0.000 0.000 2.444 28 E HA 0.079 4.434 4.350 0.009 0.000 0.209 28 E C 2.033 178.638 176.600 0.009 0.000 0.806 28 E CA 0.418 56.822 56.400 0.006 0.000 1.240 28 E CB 1.123 30.826 29.700 0.005 0.000 1.238 28 E HN -0.594 7.690 8.360 -0.004 0.073 0.591 29 I N 2.983 123.555 120.570 0.003 0.000 2.264 29 I HA -0.508 3.666 4.170 0.006 0.000 0.248 29 I C 1.261 177.384 176.117 0.011 0.000 1.111 29 I CA 4.449 65.751 61.300 0.002 0.000 1.382 29 I CB 0.239 38.231 38.000 -0.013 0.000 1.060 29 I HN -0.121 8.023 8.210 -0.003 0.064 0.418 30 K N -0.964 119.442 120.400 0.010 0.000 2.113 30 K HA -0.294 4.185 4.320 0.020 -0.147 0.208 30 K C 0.915 177.536 176.600 0.034 0.000 1.047 30 K CA 2.803 59.102 56.287 0.020 0.000 0.928 30 K CB -0.315 32.194 32.500 0.016 0.000 0.716 30 K HN -0.330 7.801 8.250 0.004 0.121 0.446 31 K N -2.602 117.816 120.400 0.030 0.000 2.832 31 K HA 0.115 4.462 4.320 0.045 0.000 0.211 31 K C -0.151 176.473 176.600 0.041 0.000 1.112 31 K CA -0.546 55.763 56.287 0.037 0.000 1.108 31 K CB -0.213 32.304 32.500 0.028 0.000 0.899 31 K HN -0.221 7.881 8.250 0.022 0.162 0.464 32 R N -1.500 119.027 120.500 0.045 0.000 2.508 32 R HA 0.098 4.467 4.340 0.048 0.000 0.300 32 R C -1.903 174.439 176.300 0.071 0.000 0.970 32 R CA -1.001 55.128 56.100 0.049 0.000 1.102 32 R CB 0.815 31.135 30.300 0.034 0.000 1.246 32 R HN -0.249 7.888 8.270 0.043 0.159 0.539 33 K N -1.736 118.715 120.400 0.085 0.000 6.195 33 K HA -0.300 4.103 4.320 0.138 0.000 0.682 33 K C -0.978 175.692 176.600 0.117 0.000 1.565 33 K CA 0.986 57.346 56.287 0.122 0.000 1.637 33 K CB -1.235 31.349 32.500 0.140 0.000 1.930 33 K HN 0.140 8.376 8.250 0.078 0.060 0.344 34 K N -1.731 118.735 120.400 0.110 0.000 2.517 34 K HA 0.347 4.698 4.320 0.052 0.000 0.210 34 K C -1.270 175.369 176.600 0.064 0.000 1.166 34 K CA -0.944 55.377 56.287 0.056 0.000 1.030 34 K CB 1.216 33.713 32.500 -0.005 0.000 0.974 34 K HN -0.166 8.162 8.250 0.129 0.000 0.585 35 A N -0.555 122.374 122.820 0.182 0.000 2.475 35 A HA 0.667 5.345 4.320 0.218 -0.228 0.301 35 A C -1.991 175.856 177.584 0.438 0.000 1.059 35 A CA -1.258 50.962 52.037 0.305 0.000 0.710 35 A CB 3.436 22.733 19.000 0.495 0.000 1.288 35 A HN -0.371 7.905 8.150 0.211 0.000 0.408 36 V N -4.153 116.107 119.914 0.577 0.000 3.234 36 V HA 0.333 4.734 4.120 0.469 0.000 0.280 36 V C -2.389 174.163 176.094 0.764 0.000 1.580 36 V CA -1.808 60.857 62.300 0.609 0.000 1.032 36 V CB 2.434 34.680 31.823 0.706 0.000 1.203 36 V HN 0.555 8.981 8.190 0.600 0.125 0.459 37 I N -0.899 119.987 120.570 0.526 0.000 2.910 37 I HA 0.169 4.846 4.170 0.691 -0.093 0.310 37 I C -1.223 175.184 176.117 0.483 0.000 1.043 37 I CA -0.869 60.726 61.300 0.492 0.000 1.053 37 I CB 3.260 41.322 38.000 0.103 0.000 1.242 37 I HN -0.089 8.294 8.210 0.289 0.000 0.452 38 F N -0.309 119.813 119.950 0.286 0.000 2.869 38 F HA 0.792 5.494 4.527 0.197 -0.057 0.325 38 F C -1.307 174.616 175.800 0.206 0.000 1.184 38 F CA -0.965 57.179 58.000 0.241 0.000 0.951 38 F CB 4.501 43.672 39.000 0.285 0.000 1.421 38 F HN 0.351 8.923 8.300 0.575 0.073 0.501 39 C N -3.748 115.790 119.300 0.398 0.000 3.227 39 C HA 0.539 5.260 4.460 0.436 0.000 0.291 39 C C -0.394 174.786 174.990 0.318 0.000 2.322 39 C CA -0.498 58.733 59.018 0.354 0.000 1.499 39 C CB 2.856 30.726 27.740 0.217 0.000 1.621 39 C HN 0.720 9.179 8.230 0.439 0.034 0.665 40 L N -3.113 118.224 121.223 0.190 0.000 1.874 40 L HA 0.267 5.052 4.340 0.109 -0.380 0.101 40 L C -1.534 175.387 176.870 0.084 0.000 1.555 40 L CA 0.027 54.925 54.840 0.097 0.000 1.031 40 L CB 2.000 44.054 42.059 -0.008 0.000 2.011 40 L HN -0.322 8.009 8.230 0.169 0.000 0.446 41 S N -4.638 111.093 115.700 0.051 0.000 2.636 41 S HA 0.081 4.588 4.470 0.062 0.000 0.266 41 S C -1.037 173.577 174.600 0.025 0.000 1.116 41 S CA -0.561 57.666 58.200 0.045 0.000 0.893 41 S CB 2.129 65.350 63.200 0.035 0.000 1.171 41 S HN -0.766 7.565 8.310 0.035 0.000 0.482 42 A N -0.198 122.635 122.820 0.021 0.000 1.858 42 A HA -0.239 4.087 4.320 0.011 0.000 0.216 42 A C 1.301 178.887 177.584 0.004 0.000 1.190 42 A CA 3.539 55.583 52.037 0.012 0.000 0.617 42 A CB -0.064 18.943 19.000 0.012 0.000 0.827 42 A HN 0.331 8.497 8.150 0.027 0.000 0.443 43 D N -2.723 117.678 120.400 0.002 0.000 2.340 43 D HA -0.102 4.533 4.640 -0.009 0.000 0.220 43 D C -1.406 174.884 176.300 -0.016 0.000 1.039 43 D CA -0.752 53.244 54.000 -0.007 0.000 0.866 43 D CB -0.145 40.652 40.800 -0.006 0.000 0.913 43 D HN 0.064 8.438 8.370 0.007 0.000 0.523 44 K N -3.094 117.300 120.400 -0.011 0.000 6.074 44 K HA -0.263 4.231 4.320 -0.012 -0.181 0.850 44 K C -2.298 174.281 176.600 -0.035 0.000 2.043 44 K CA 0.896 57.167 56.287 -0.026 0.000 1.609 44 K CB -0.922 31.547 32.500 -0.051 0.000 2.376 44 K HN -0.298 7.816 8.250 0.001 0.137 0.262 45 K N -0.149 120.240 120.400 -0.017 0.000 1.636 45 K HA 0.007 4.301 4.320 -0.044 0.000 0.293 45 K C -1.255 175.357 176.600 0.019 0.000 0.829 45 K CA -0.356 55.922 56.287 -0.016 0.000 0.384 45 K CB 1.885 34.383 32.500 -0.002 0.000 3.022 45 K HN -0.188 7.994 8.250 0.005 0.071 1.074 46 C N 0.195 119.519 119.300 0.040 0.000 1.820 46 C HA -0.193 4.354 4.460 0.055 -0.054 0.416 46 C C 0.381 175.449 174.990 0.130 0.000 1.503 46 C CA 1.763 60.825 59.018 0.074 0.000 1.553 46 C CB -0.128 27.666 27.740 0.089 0.000 2.775 46 C HN 0.435 8.683 8.230 0.030 0.000 0.552 47 I N 1.946 122.603 120.570 0.146 0.000 2.826 47 I HA -0.314 4.186 4.170 0.302 -0.150 0.295 47 I C -1.169 175.189 176.117 0.402 0.000 1.213 47 I CA 2.013 63.467 61.300 0.255 0.000 1.436 47 I CB 0.419 38.515 38.000 0.160 0.000 1.348 47 I HN 0.071 8.471 8.210 0.094 -0.133 0.570 48 I N 7.832 128.729 120.570 0.546 0.000 3.467 48 I HA 0.159 4.691 4.170 0.604 0.000 0.314 48 I C -2.038 174.191 176.117 0.188 0.000 1.177 48 I CA -1.635 59.971 61.300 0.510 0.000 0.943 48 I CB 4.647 42.779 38.000 0.221 0.000 1.338 48 I HN 0.338 8.852 8.210 0.474 -0.020 0.482 49 V N 3.110 122.924 119.914 -0.166 0.000 2.240 49 V HA 0.025 3.775 4.120 -0.617 0.000 0.265 49 V C -0.301 175.706 176.094 -0.143 0.000 1.073 49 V CA -0.753 61.278 62.300 -0.447 0.000 0.857 49 V CB -1.184 30.320 31.823 -0.531 0.000 1.114 49 V HN 0.067 8.256 8.190 -0.001 0.000 0.469 50 E N 6.341 126.504 120.200 -0.061 0.000 2.526 50 E HA -0.235 4.113 4.350 -0.003 0.000 0.198 50 E C -0.886 175.696 176.600 -0.029 0.000 1.091 50 E CA 1.459 57.852 56.400 -0.012 0.000 0.880 50 E CB 0.314 30.032 29.700 0.029 0.000 0.873 50 E HN -0.015 8.321 8.360 -0.041 0.000 0.527 51 E N -4.339 115.824 120.200 -0.062 0.000 1.228 51 E HA 0.081 4.409 4.350 -0.037 0.000 0.132 51 E C -1.773 174.785 176.600 -0.070 0.000 2.147 51 E CA -0.272 56.097 56.400 -0.052 0.000 1.269 51 E CB 0.358 30.034 29.700 -0.040 0.000 1.404 51 E HN -0.687 7.499 8.360 -0.102 0.113 0.777 52 G N -0.216 108.547 108.800 -0.062 0.000 4.757 52 G HA2 0.267 4.192 3.960 -0.058 0.000 0.303 52 G HA3 0.267 4.205 3.960 -0.037 0.000 0.303 52 G C -0.032 174.831 174.900 -0.062 0.000 1.318 52 G CA -0.711 44.356 45.100 -0.054 0.000 1.020 52 G HN 0.190 8.446 8.290 -0.056 0.000 0.589 53 K N -0.107 120.237 120.400 -0.093 0.000 3.054 53 K HA 0.051 4.284 4.320 -0.145 0.000 0.348 53 K C -0.343 176.239 176.600 -0.029 0.000 1.024 53 K CA -0.239 55.979 56.287 -0.114 0.000 1.316 53 K CB 1.020 33.428 32.500 -0.154 0.000 1.328 53 K HN -0.529 7.654 8.250 -0.111 0.000 0.534 54 E N -2.909 117.312 120.200 0.035 0.000 7.527 54 E HA -0.268 4.361 4.350 0.313 -0.092 0.389 54 E C -2.390 174.367 176.600 0.261 0.000 0.568 54 E CA 0.684 57.200 56.400 0.193 0.000 1.067 54 E CB -0.313 29.465 29.700 0.130 0.000 0.942 54 E HN 0.086 8.438 8.360 -0.013 0.000 0.262 55 I N 3.076 123.893 120.570 0.410 0.000 2.924 55 I HA 0.059 4.457 4.170 0.379 0.000 0.316 55 I C -1.403 174.909 176.117 0.325 0.000 1.014 55 I CA -1.328 60.231 61.300 0.431 0.000 1.106 55 I CB 2.640 41.013 38.000 0.622 0.000 1.311 55 I HN 0.029 8.430 8.210 0.503 0.111 0.502 56 L N -1.078 120.294 121.223 0.248 0.000 3.524 56 L HA 0.470 5.075 4.340 0.166 -0.166 0.337 56 L C -0.105 176.833 176.870 0.114 0.000 1.330 56 L CA -0.553 54.385 54.840 0.162 0.000 0.966 56 L CB -0.848 41.284 42.059 0.122 0.000 1.395 56 L HN 0.150 8.525 8.230 0.241 0.000 0.616 57 V N -2.134 117.870 119.914 0.150 0.000 0.421 57 V HA -0.454 3.786 4.120 0.137 -0.038 0.092 57 V C -0.537 175.603 176.094 0.076 0.000 2.633 57 V CA 2.259 64.615 62.300 0.092 0.000 3.758 57 V CB -2.666 29.160 31.823 0.004 0.000 1.024 57 V HN -0.249 8.095 8.190 0.257 0.000 1.077 58 G N -0.108 108.729 108.800 0.061 0.000 2.404 58 G HA2 -0.190 3.789 3.960 0.032 0.000 0.214 58 G HA3 -0.190 3.813 3.960 0.035 -0.022 0.214 58 G C 0.404 175.328 174.900 0.039 0.000 1.189 58 G CA 1.266 46.390 45.100 0.041 0.000 0.789 58 G HN -0.093 8.064 8.290 0.065 0.172 0.533 59 D N 0.890 121.317 120.400 0.044 0.000 2.126 59 D HA -0.256 4.380 4.640 -0.007 0.000 0.190 59 D C 0.386 176.685 176.300 -0.002 0.000 1.001 59 D CA 2.183 56.187 54.000 0.006 0.000 0.841 59 D CB -0.390 40.404 40.800 -0.010 0.000 0.949 59 D HN -0.265 8.143 8.370 0.063 0.000 0.446 60 V N -1.373 118.569 119.914 0.047 0.000 2.864 60 V HA -0.320 3.829 4.120 0.048 0.000 0.275 60 V C -0.261 175.856 176.094 0.037 0.000 0.972 60 V CA 2.604 64.945 62.300 0.068 0.000 1.176 60 V CB -0.868 31.042 31.823 0.145 0.000 0.838 60 V HN -0.130 8.124 8.190 0.092 -0.009 0.454 61 G N 3.688 112.493 108.800 0.008 0.000 2.273 61 G HA2 -0.214 3.784 3.960 0.014 0.000 0.162 61 G HA3 -0.214 3.756 3.960 0.016 0.000 0.162 61 G C -1.270 173.623 174.900 -0.012 0.000 1.006 61 G CA 0.048 45.153 45.100 0.008 0.000 0.704 61 G HN -0.077 8.113 8.290 -0.017 0.090 0.487 62 V N 1.060 120.953 119.914 -0.035 0.000 4.535 62 V HA 0.333 4.436 4.120 -0.027 0.000 0.173 62 V C 0.536 176.589 176.094 -0.067 0.000 1.036 62 V CA 0.784 63.059 62.300 -0.042 0.000 1.412 62 V CB 0.987 32.785 31.823 -0.043 0.000 1.991 62 V HN -0.006 8.193 8.190 -0.049 -0.039 0.469 63 T N 0.778 115.266 114.554 -0.111 0.000 3.118 63 T HA -0.045 4.253 4.350 -0.087 0.000 0.260 63 T C -0.852 173.731 174.700 -0.195 0.000 1.139 63 T CA 1.674 63.690 62.100 -0.140 0.000 1.085 63 T CB 0.044 68.809 68.868 -0.171 0.000 0.934 63 T HN 0.094 8.261 8.240 -0.122 0.000 0.518 64 I N -5.230 115.225 120.570 -0.191 0.000 3.690 64 I HA 0.353 4.454 4.170 -0.115 0.000 0.280 64 I C -2.183 173.914 176.117 -0.033 0.000 1.145 64 I CA -1.945 59.269 61.300 -0.144 0.000 1.144 64 I CB 1.847 39.719 38.000 -0.214 0.000 1.378 64 I HN -0.943 7.186 8.210 -0.153 -0.010 0.478 65 T N -3.679 110.891 114.554 0.026 0.000 4.553 65 T HA 0.192 4.633 4.350 0.040 -0.067 0.321 65 T C -1.289 173.473 174.700 0.104 0.000 0.893 65 T CA 0.096 62.228 62.100 0.053 0.000 0.879 65 T CB 0.932 69.826 68.868 0.044 0.000 1.001 65 T HN -0.058 8.212 8.240 0.049 0.000 0.439 66 D N -3.169 117.319 120.400 0.146 0.000 2.277 66 D HA -0.201 4.577 4.640 0.229 0.000 0.167 66 D C -1.872 174.617 176.300 0.316 0.000 0.974 66 D CA 2.291 56.418 54.000 0.212 0.000 1.013 66 D CB -1.793 39.104 40.800 0.162 0.000 1.086 66 D HN -0.060 8.390 8.370 0.134 0.000 0.498 67 P HA 0.057 4.877 4.420 0.667 0.000 0.302 67 P C -0.796 176.785 177.300 0.468 0.000 1.393 67 P CA 1.224 64.598 63.100 0.457 0.000 0.818 67 P CB 0.468 32.340 31.700 0.287 0.000 1.974 68 F N -8.320 111.662 119.950 0.054 0.000 2.796 68 F HA 0.195 4.465 4.527 -0.427 0.000 0.427 68 F C -1.213 174.512 175.800 -0.126 0.000 0.906 68 F CA 1.034 58.880 58.000 -0.257 0.000 0.870 68 F CB -0.287 38.462 39.000 -0.417 0.000 1.345 68 F HN -0.309 8.178 8.300 0.312 0.000 0.553 69 K N -0.038 119.587 120.400 -1.292 0.000 2.218 69 K HA -0.372 2.810 4.320 -1.896 0.000 0.205 69 K C 1.168 177.355 176.600 -0.689 0.000 1.046 69 K CA 2.749 58.326 56.287 -1.184 0.000 0.933 69 K CB -1.802 30.467 32.500 -0.384 0.000 0.728 69 K HN 0.413 8.528 8.250 -0.224 0.000 0.454 70 H N -0.006 118.797 119.070 -0.446 0.000 2.319 70 H HA -0.256 4.148 4.556 -0.253 0.000 0.299 70 H C 1.636 176.770 175.328 -0.324 0.000 1.092 70 H CA 3.374 59.250 56.048 -0.285 0.000 1.302 70 H CB -0.654 29.013 29.762 -0.158 0.000 1.373 70 H HN -0.015 8.110 8.280 -0.203 0.033 0.497 71 F N 0.132 119.343 119.950 -1.231 0.000 2.161 71 F HA -0.377 3.350 4.527 -1.334 0.000 0.300 71 F C 1.095 176.343 175.800 -0.921 0.000 1.089 71 F CA 2.558 59.905 58.000 -1.088 0.000 1.282 71 F CB -0.422 38.201 39.000 -0.628 0.000 1.010 71 F HN -0.126 7.860 8.300 -0.380 0.085 0.485 72 V N -2.972 116.456 119.914 -0.811 0.000 2.490 72 V HA -0.325 3.149 4.120 -1.076 0.000 0.250 72 V C 1.141 176.728 176.094 -0.845 0.000 1.061 72 V CA 2.985 64.747 62.300 -0.897 0.000 1.064 72 V CB -0.972 30.409 31.823 -0.737 0.000 0.670 72 V HN -0.547 6.997 8.190 -0.859 0.130 0.461 73 G N -2.492 105.889 108.800 -0.699 0.000 2.422 73 G HA2 -0.210 3.512 3.960 -0.397 0.000 0.218 73 G HA3 -0.210 3.533 3.960 -0.393 -0.019 0.218 73 G C 0.583 175.177 174.900 -0.510 0.000 1.140 73 G CA 1.611 46.417 45.100 -0.490 0.000 0.775 73 G HN -0.566 7.152 8.290 -0.723 0.138 0.545 74 M N -0.741 118.432 119.600 -0.712 0.000 2.080 74 M HA -0.309 3.950 4.480 -0.368 0.000 0.260 74 M C 0.088 176.093 176.300 -0.492 0.000 1.068 74 M CA 2.892 57.855 55.300 -0.561 0.000 1.109 74 M CB 0.406 32.604 32.600 -0.671 0.000 1.342 74 M HN -0.913 6.648 8.290 -0.951 0.158 0.405 75 L N -7.000 113.800 121.223 -0.705 0.000 2.260 75 L HA 0.472 4.654 4.340 -0.263 0.000 0.289 75 L C -1.876 174.752 176.870 -0.404 0.000 1.057 75 L CA -1.952 52.575 54.840 -0.522 0.000 0.811 75 L CB -0.868 40.711 42.059 -0.800 0.000 1.184 75 L HN -0.783 6.771 8.230 -1.010 0.070 0.429 76 P HA 0.061 4.448 4.420 -0.055 0.000 0.196 76 P C -0.584 176.955 177.300 0.398 0.000 1.166 76 P CA 0.570 63.703 63.100 0.054 0.000 0.854 76 P CB 1.021 32.742 31.700 0.036 0.000 0.701 77 E N -6.680 113.727 120.200 0.344 0.000 2.370 77 E HA 0.032 4.601 4.350 0.365 0.000 0.195 77 E C -1.043 175.600 176.600 0.072 0.000 1.001 77 E CA 0.255 56.820 56.400 0.274 0.000 1.531 77 E CB 1.325 31.132 29.700 0.177 0.000 2.982 77 E HN -0.162 8.320 8.360 0.204 0.000 1.057 78 K N -0.332 120.112 120.400 0.074 0.000 2.476 78 K HA -0.095 4.224 4.320 -0.001 0.000 0.196 78 K C -1.478 175.141 176.600 0.033 0.000 1.025 78 K CA 0.947 57.250 56.287 0.026 0.000 1.138 78 K CB -0.423 32.089 32.500 0.020 0.000 0.860 78 K HN -0.220 8.086 8.250 0.093 0.000 0.515 79 D N -3.444 116.996 120.400 0.067 0.000 2.369 79 D HA 0.065 4.738 4.640 0.055 0.000 0.185 79 D C -1.849 174.521 176.300 0.117 0.000 1.253 79 D CA 0.029 54.071 54.000 0.069 0.000 1.107 79 D CB -0.366 40.461 40.800 0.044 0.000 1.588 79 D HN -0.515 7.855 8.370 0.110 0.066 0.561 80 C N -2.913 116.474 119.300 0.146 0.000 2.138 80 C HA -0.001 4.656 4.460 0.203 -0.076 0.260 80 C C -2.296 172.792 174.990 0.163 0.000 1.097 80 C CA -0.544 58.592 59.018 0.197 0.000 1.024 80 C CB 1.725 29.584 27.740 0.198 0.000 1.232 80 C HN 0.079 8.382 8.230 0.121 0.000 0.591 81 R N -1.924 118.586 120.500 0.017 0.000 2.771 81 R HA 0.337 4.873 4.340 0.045 -0.169 0.177 81 R C -2.102 174.223 176.300 0.043 0.000 0.937 81 R CA 0.075 56.033 56.100 -0.236 0.000 1.536 81 R CB 4.390 34.004 30.300 -1.143 0.000 1.696 81 R HN 0.198 8.506 8.270 0.063 0.000 0.550 82 Y N -0.195 120.039 120.300 -0.111 0.000 2.328 82 Y HA 0.579 5.359 4.550 -0.044 -0.256 0.337 82 Y C -1.409 174.808 175.900 0.529 0.000 1.008 82 Y CA -3.179 55.005 58.100 0.141 0.000 1.129 82 Y CB 1.103 39.682 38.460 0.199 0.000 1.185 82 Y HN -0.864 7.394 8.280 -0.036 0.000 0.476 83 A N 2.998 126.330 122.820 0.854 0.000 2.427 83 A HA 0.563 5.501 4.320 0.902 -0.077 0.298 83 A C -2.296 175.830 177.584 0.903 0.000 1.036 83 A CA -1.353 51.237 52.037 0.921 0.000 0.701 83 A CB 3.549 23.164 19.000 1.024 0.000 1.250 83 A HN 0.657 9.233 8.150 0.760 0.030 0.412 84 L N 3.231 124.886 121.223 0.720 0.000 2.294 84 L HA 0.487 5.319 4.340 0.461 -0.215 0.283 84 L C -0.961 176.138 176.870 0.382 0.000 1.015 84 L CA -1.270 53.839 54.840 0.449 0.000 0.831 84 L CB 1.492 43.651 42.059 0.167 0.000 1.217 84 L HN 0.306 8.977 8.230 0.734 0.000 0.420 85 Y N 6.704 127.109 120.300 0.176 0.000 2.328 85 Y HA 0.214 4.909 4.550 0.139 -0.062 0.337 85 Y C -2.224 173.715 175.900 0.066 0.000 0.966 85 Y CA -2.360 55.776 58.100 0.060 0.000 1.136 85 Y CB 3.025 41.323 38.460 -0.269 0.000 1.170 85 Y HN -0.185 8.354 8.280 0.431 0.000 0.470 86 D N 6.743 126.684 120.400 -0.765 0.000 2.536 86 D HA -0.315 4.073 4.640 -0.420 0.000 0.260 86 D C -0.929 174.640 176.300 -1.218 0.000 1.270 86 D CA 0.823 54.382 54.000 -0.735 0.000 0.934 86 D CB 0.560 41.092 40.800 -0.445 0.000 1.129 86 D HN -0.371 7.767 8.370 -0.386 0.000 0.533 87 A N 5.428 127.927 122.820 -0.535 0.000 2.343 87 A HA 0.077 4.423 4.320 0.042 0.000 0.305 87 A C -0.762 176.834 177.584 0.019 0.000 1.308 87 A CA -0.573 51.402 52.037 -0.104 0.000 0.949 87 A CB 0.744 19.843 19.000 0.165 0.000 1.148 87 A HN -0.347 7.713 8.150 -0.299 -0.089 0.545 88 S N 5.358 121.062 115.700 0.007 0.000 2.473 88 S HA 0.154 4.520 4.470 -0.174 0.000 0.312 88 S C -1.415 173.176 174.600 -0.015 0.000 1.087 88 S CA -0.058 58.108 58.200 -0.056 0.000 1.077 88 S CB -0.407 62.784 63.200 -0.016 0.000 1.065 88 S HN 0.078 8.444 8.310 0.093 0.000 0.510 89 F N 1.045 120.884 119.950 -0.185 0.000 2.591 89 F HA 0.388 4.834 4.527 -0.135 0.000 0.309 89 F C -2.161 173.583 175.800 -0.093 0.000 1.098 89 F CA -1.783 56.099 58.000 -0.196 0.000 0.937 89 F CB 2.775 41.516 39.000 -0.432 0.000 1.250 89 F HN -0.631 7.272 8.300 -0.662 0.000 0.447 90 E N 1.416 121.609 120.200 -0.011 0.000 2.342 90 E HA 0.140 4.507 4.350 -0.244 -0.164 0.257 90 E C -0.978 175.722 176.600 0.168 0.000 1.150 90 E CA -0.417 55.950 56.400 -0.055 0.000 0.926 90 E CB 1.398 31.104 29.700 0.011 0.000 1.074 90 E HN 0.346 8.778 8.360 0.120 0.000 0.449 91 T N -1.982 112.631 114.554 0.097 0.000 2.647 91 T HA 0.165 4.713 4.350 0.250 -0.047 0.295 91 T C -0.335 174.422 174.700 0.096 0.000 1.126 91 T CA -2.348 59.868 62.100 0.192 0.000 1.040 91 T CB 2.109 71.148 68.868 0.285 0.000 1.472 91 T HN -0.239 7.973 8.240 -0.002 0.027 0.500 92 K N 0.409 120.862 120.400 0.090 0.000 2.281 92 K HA -0.258 4.084 4.320 0.047 0.006 0.203 92 K C 1.183 177.803 176.600 0.033 0.000 1.046 92 K CA 2.357 58.676 56.287 0.053 0.000 0.938 92 K CB -0.054 32.475 32.500 0.048 0.000 0.737 92 K HN 0.156 8.411 8.250 0.109 0.060 0.458 93 E N -2.809 117.411 120.200 0.033 0.000 2.158 93 E HA -0.161 4.188 4.350 -0.002 0.000 0.191 93 E C -0.648 175.934 176.600 -0.030 0.000 0.982 93 E CA 0.719 57.119 56.400 -0.001 0.000 0.823 93 E CB 0.524 30.221 29.700 -0.006 0.000 0.766 93 E HN -0.522 7.837 8.360 0.062 0.038 0.468 94 S N -5.999 109.680 115.700 -0.035 0.000 4.099 94 S HA -0.244 4.254 4.470 -0.031 -0.047 0.658 94 S C -1.038 173.466 174.600 -0.160 0.000 0.821 94 S CA 0.279 58.441 58.200 -0.064 0.000 1.014 94 S CB -0.169 62.996 63.200 -0.057 0.000 0.401 94 S HN -0.356 7.871 8.310 -0.003 0.080 0.952 95 R N 3.020 123.427 120.500 -0.156 0.000 2.561 95 R HA -0.283 3.987 4.340 -0.349 -0.140 0.347 95 R C 0.417 176.549 176.300 -0.280 0.000 0.916 95 R CA 1.196 57.151 56.100 -0.242 0.000 1.063 95 R CB -1.224 28.989 30.300 -0.145 0.000 0.916 95 R HN 0.311 8.523 8.270 -0.097 0.000 0.410 96 K N 5.194 125.330 120.400 -0.441 0.000 2.586 96 K HA 0.109 4.283 4.320 -0.244 0.000 0.198 96 K C -1.656 174.703 176.600 -0.401 0.000 1.170 96 K CA -0.745 55.335 56.287 -0.345 0.000 1.069 96 K CB 1.283 33.618 32.500 -0.274 0.000 0.944 96 K HN -0.410 7.426 8.250 -0.690 0.000 0.572 97 E N -1.214 118.665 120.200 -0.535 0.000 3.206 97 E HA -0.404 3.970 4.350 -0.423 -0.277 0.380 97 E C -1.118 175.335 176.600 -0.245 0.000 0.859 97 E CA 1.284 57.449 56.400 -0.392 0.000 1.283 97 E CB -0.154 29.402 29.700 -0.240 0.000 0.483 97 E HN -0.124 7.869 8.360 -0.611 0.000 0.364 98 E N 5.612 125.814 120.200 0.003 0.000 2.528 98 E HA 0.214 4.549 4.350 -0.024 0.000 0.277 98 E C -0.974 175.719 176.600 0.155 0.000 0.980 98 E CA -0.946 55.535 56.400 0.136 0.000 0.796 98 E CB 1.208 31.079 29.700 0.285 0.000 1.427 98 E HN 0.268 8.713 8.360 0.142 0.000 0.394 99 L N 1.935 123.147 121.223 -0.019 0.000 2.428 99 L HA 0.072 4.617 4.340 -0.048 -0.234 0.266 99 L C -1.002 175.892 176.870 0.040 0.000 1.269 99 L CA 0.346 55.165 54.840 -0.035 0.000 0.821 99 L CB 0.736 42.726 42.059 -0.115 0.000 1.095 99 L HN -0.371 7.809 8.230 -0.084 0.000 0.559 100 M N -4.041 115.612 119.600 0.089 0.000 2.413 100 M HA 0.072 4.804 4.480 0.100 -0.192 0.287 100 M C -1.187 175.182 176.300 0.117 0.000 1.186 100 M CA -0.912 54.435 55.300 0.078 0.000 0.927 100 M CB 4.349 36.940 32.600 -0.016 0.000 1.715 100 M HN -0.528 7.843 8.290 0.135 0.000 0.478 101 F N 2.828 122.723 119.950 -0.092 0.000 2.518 101 F HA -0.003 4.632 4.527 0.181 0.000 0.359 101 F C -1.444 174.258 175.800 -0.163 0.000 1.118 101 F CA -1.064 56.940 58.000 0.007 0.000 1.287 101 F CB 1.039 40.051 39.000 0.021 0.000 1.132 101 F HN -0.358 7.946 8.300 0.207 0.121 0.587 102 F N 6.271 126.376 119.950 0.260 0.000 2.500 102 F HA 0.391 5.220 4.527 0.110 -0.235 0.349 102 F C 0.027 175.815 175.800 -0.020 0.000 1.127 102 F CA -1.668 56.422 58.000 0.149 0.000 0.998 102 F CB 2.048 41.297 39.000 0.415 0.000 1.237 102 F HN -0.273 8.532 8.300 0.746 -0.058 0.439 103 L N 5.283 126.514 121.223 0.013 0.000 2.955 103 L HA 0.154 4.755 4.340 0.257 -0.106 0.238 103 L C 0.077 177.103 176.870 0.261 0.000 1.359 103 L CA -1.929 52.963 54.840 0.085 0.000 1.214 103 L CB -2.347 39.696 42.059 -0.027 0.000 1.600 103 L HN 0.651 8.741 8.230 -0.045 0.113 0.442 104 W N 2.772 124.186 121.300 0.190 0.000 2.851 104 W HA -0.454 4.419 4.660 0.188 -0.100 0.447 104 W C -1.637 174.905 176.519 0.038 0.000 1.025 104 W CA 0.069 57.496 57.345 0.137 0.000 1.316 104 W CB -0.866 28.654 29.460 0.100 0.000 1.303 104 W HN -0.284 8.164 8.180 0.642 0.117 0.559 105 A N 8.267 130.815 122.820 -0.454 0.000 2.644 105 A HA 0.659 4.668 4.320 -0.518 0.000 0.343 105 A C -2.453 174.683 177.584 -0.746 0.000 1.324 105 A CA -3.452 48.269 52.037 -0.527 0.000 0.846 105 A CB 1.411 20.297 19.000 -0.189 0.000 1.128 105 A HN 0.440 8.397 8.150 -0.148 0.104 0.484 106 P HA 0.065 4.009 4.420 -0.794 0.000 0.271 106 P C -0.173 176.923 177.300 -0.339 0.000 1.216 106 P CA -0.769 61.869 63.100 -0.771 0.000 0.776 106 P CB 0.724 32.034 31.700 -0.651 0.000 0.881 107 E N 0.640 120.720 120.200 -0.201 0.000 2.515 107 E HA -0.250 4.033 4.350 -0.111 0.000 0.201 107 E C 0.701 177.249 176.600 -0.087 0.000 1.071 107 E CA 2.383 58.716 56.400 -0.111 0.000 0.880 107 E CB -0.276 29.388 29.700 -0.060 0.000 0.828 107 E HN 0.638 8.892 8.360 -0.177 0.000 0.540 108 L N -6.975 114.189 121.223 -0.098 0.000 2.717 108 L HA 0.179 4.490 4.340 -0.048 0.000 0.239 108 L C -0.716 176.113 176.870 -0.068 0.000 1.086 108 L CA -0.373 54.430 54.840 -0.061 0.000 0.897 108 L CB 0.853 42.892 42.059 -0.033 0.000 1.214 108 L HN -0.643 7.406 8.230 -0.138 0.098 0.508 109 A N 0.141 122.897 122.820 -0.107 0.000 2.641 109 A HA -0.156 4.190 4.320 -0.057 -0.060 0.239 109 A C -1.702 175.848 177.584 -0.058 0.000 1.123 109 A CA -0.063 51.923 52.037 -0.086 0.000 0.822 109 A CB -1.034 17.888 19.000 -0.129 0.000 1.050 109 A HN -0.878 7.075 8.150 -0.162 0.099 0.520 110 P HA -0.009 4.388 4.420 -0.039 0.000 0.272 110 P C 0.711 177.978 177.300 -0.054 0.000 1.223 110 P CA -0.698 62.377 63.100 -0.042 0.000 0.784 110 P CB 0.960 32.639 31.700 -0.035 0.000 0.923 111 L N 1.896 123.086 121.223 -0.056 0.000 2.012 111 L HA -0.474 3.831 4.340 -0.058 0.000 0.210 111 L C 1.614 178.426 176.870 -0.096 0.000 1.073 111 L CA 4.589 59.390 54.840 -0.064 0.000 0.748 111 L CB -0.275 41.751 42.059 -0.055 0.000 0.891 111 L HN 0.344 8.545 8.230 -0.048 0.000 0.431 112 K N -5.036 115.299 120.400 -0.107 0.000 2.293 112 K HA -0.297 3.923 4.320 -0.166 0.000 0.204 112 K C 0.460 176.886 176.600 -0.290 0.000 1.045 112 K CA 2.021 58.208 56.287 -0.167 0.000 0.933 112 K CB -0.930 31.488 32.500 -0.136 0.000 0.736 112 K HN 0.234 8.434 8.250 -0.084 0.000 0.463 113 S N -2.741 112.834 115.700 -0.208 0.000 2.481 113 S HA 0.200 4.128 4.470 -0.903 0.000 0.243 113 S C -0.589 174.039 174.600 0.047 0.000 1.152 113 S CA -0.699 57.371 58.200 -0.216 0.000 1.168 113 S CB -0.255 63.027 63.200 0.137 0.000 0.835 113 S HN -0.444 7.609 8.310 -0.119 0.186 0.474 114 K N 0.848 121.199 120.400 -0.082 0.000 3.080 114 K HA 0.128 4.511 4.320 0.105 0.000 0.200 114 K C 1.414 177.995 176.600 -0.031 0.000 1.741 114 K CA 1.577 57.869 56.287 0.009 0.000 1.386 114 K CB 0.195 32.680 32.500 -0.024 0.000 2.059 114 K HN 0.279 8.316 8.250 -0.204 0.090 0.612 115 M N -0.725 118.826 119.600 -0.080 0.000 2.476 115 M HA -0.165 4.291 4.480 -0.039 0.000 0.262 115 M C 1.845 178.083 176.300 -0.104 0.000 1.079 115 M CA 2.664 57.921 55.300 -0.071 0.000 1.104 115 M CB -0.223 32.332 32.600 -0.075 0.000 1.409 115 M HN -0.092 8.140 8.290 -0.097 0.000 0.467 116 I N -2.232 118.210 120.570 -0.212 0.000 2.429 116 I HA -0.297 3.756 4.170 -0.195 0.000 0.247 116 I C 1.855 177.822 176.117 -0.249 0.000 1.099 116 I CA 2.727 63.849 61.300 -0.296 0.000 1.422 116 I CB 0.480 38.148 38.000 -0.553 0.000 1.112 116 I HN -0.563 7.527 8.210 -0.261 -0.037 0.430 117 Y N -2.049 118.172 120.300 -0.132 0.000 2.403 117 Y HA -0.337 4.063 4.550 -0.250 0.000 0.291 117 Y C 1.727 177.644 175.900 0.029 0.000 1.143 117 Y CA 2.404 60.401 58.100 -0.172 0.000 1.257 117 Y CB -1.843 36.420 38.460 -0.328 0.000 0.984 117 Y HN -0.098 7.882 8.280 -0.500 0.000 0.550 118 A N -1.910 120.990 122.820 0.134 0.000 1.927 118 A HA -0.336 4.059 4.320 0.125 0.000 0.220 118 A C 0.835 178.484 177.584 0.109 0.000 1.185 118 A CA 2.888 54.989 52.037 0.106 0.000 0.639 118 A CB -0.627 18.398 19.000 0.042 0.000 0.820 118 A HN -0.632 7.511 8.150 0.058 0.042 0.451 119 S N -5.643 110.104 115.700 0.079 0.000 2.539 119 S HA 0.122 4.640 4.470 0.080 0.000 0.221 119 S C 1.032 175.699 174.600 0.111 0.000 0.987 119 S CA 0.100 58.344 58.200 0.074 0.000 0.929 119 S CB 1.128 64.345 63.200 0.028 0.000 0.832 119 S HN -0.383 7.842 8.310 0.040 0.110 0.492 120 S N 3.577 119.378 115.700 0.167 0.000 2.428 120 S HA -0.242 4.316 4.470 0.147 0.000 0.230 120 S C 0.139 174.989 174.600 0.417 0.000 1.014 120 S CA 2.593 60.942 58.200 0.249 0.000 0.957 120 S CB 0.314 63.679 63.200 0.275 0.000 0.784 120 S HN -0.179 8.016 8.310 0.159 0.211 0.499 121 K N 0.437 121.122 120.400 0.474 0.000 2.155 121 K HA -0.174 4.353 4.320 0.344 0.000 0.240 121 K C -1.149 175.553 176.600 0.170 0.000 1.193 121 K CA 1.299 57.793 56.287 0.345 0.000 1.104 121 K CB -0.747 31.923 32.500 0.283 0.000 1.558 121 K HN -0.713 7.773 8.250 0.431 0.023 0.313 122 D N 1.386 121.853 120.400 0.113 0.000 1.294 122 D HA -0.058 4.598 4.640 0.028 0.000 0.844 122 D C -0.076 176.229 176.300 0.008 0.000 0.420 122 D CA 1.949 55.976 54.000 0.046 0.000 1.370 122 D CB 1.491 42.323 40.800 0.053 0.000 0.992 122 D HN 0.207 8.606 8.370 0.127 0.048 0.399 123 A N 1.638 124.475 122.820 0.029 0.000 1.843 123 A HA -0.054 4.254 4.320 -0.020 0.000 0.213 123 A C 1.409 178.939 177.584 -0.091 0.000 1.202 123 A CA 3.026 55.057 52.037 -0.010 0.000 0.607 123 A CB -0.034 18.982 19.000 0.026 0.000 0.847 123 A HN -0.181 7.900 8.150 0.085 0.120 0.445 124 I N -1.756 118.748 120.570 -0.110 0.000 2.264 124 I HA -0.525 3.341 4.170 -0.506 0.000 0.248 124 I C 1.434 177.208 176.117 -0.572 0.000 1.111 124 I CA 3.479 64.499 61.300 -0.466 0.000 1.382 124 I CB 0.185 37.914 38.000 -0.451 0.000 1.060 124 I HN -0.030 8.203 8.210 0.039 0.000 0.418 125 K N -1.816 118.413 120.400 -0.285 0.000 2.063 125 K HA -0.388 3.824 4.320 -0.181 0.000 0.208 125 K C 1.514 178.024 176.600 -0.150 0.000 1.048 125 K CA 3.044 59.227 56.287 -0.173 0.000 0.928 125 K CB -0.606 31.859 32.500 -0.058 0.000 0.713 125 K HN -0.116 8.054 8.250 -0.146 -0.007 0.442 126 K N -4.499 115.826 120.400 -0.125 0.000 2.442 126 K HA -0.232 4.033 4.320 -0.090 0.000 0.198 126 K C 0.792 177.314 176.600 -0.131 0.000 1.044 126 K CA 2.057 58.283 56.287 -0.102 0.000 0.948 126 K CB 0.153 32.612 32.500 -0.067 0.000 0.762 126 K HN -0.371 7.599 8.250 -0.111 0.213 0.472 127 K N -5.405 114.896 120.400 -0.164 0.000 2.425 127 K HA 0.165 4.388 4.320 -0.162 0.000 0.201 127 K C 0.412 176.930 176.600 -0.137 0.000 1.128 127 K CA -1.131 55.065 56.287 -0.150 0.000 1.000 127 K CB 0.785 33.207 32.500 -0.130 0.000 0.961 127 K HN -0.409 7.512 8.250 -0.199 0.210 0.555 128 F N 0.949 120.552 119.950 -0.577 0.000 2.873 128 F HA 0.073 4.083 4.527 -0.862 0.000 0.289 128 F C 0.025 175.297 175.800 -0.880 0.000 1.206 128 F CA -2.751 54.786 58.000 -0.770 0.000 1.401 128 F CB -1.200 37.388 39.000 -0.686 0.000 0.996 128 F HN -0.001 7.993 8.300 -0.122 0.233 0.511 129 Q N -2.142 117.135 119.800 -0.872 0.000 2.231 129 Q HA -0.373 3.768 4.340 -0.331 0.000 0.217 129 Q C 0.636 176.373 176.000 -0.439 0.000 1.013 129 Q CA 2.321 57.770 55.803 -0.591 0.000 0.917 129 Q CB -0.392 28.009 28.738 -0.562 0.000 0.968 129 Q HN -0.046 7.557 8.270 -0.882 0.138 0.414 130 G N -3.169 105.283 108.800 -0.579 0.000 3.003 130 G HA2 0.114 4.023 3.960 -0.085 0.000 0.293 130 G HA3 0.114 4.181 3.960 0.177 0.000 0.293 130 G C -1.180 173.715 174.900 -0.009 0.000 1.553 130 G CA -1.063 44.005 45.100 -0.054 0.000 1.078 130 G HN -0.395 6.957 8.290 -1.531 0.019 0.550 131 I N 2.378 122.871 120.570 -0.127 0.000 2.439 131 I HA -0.267 3.681 4.170 -0.370 0.000 0.251 131 I C 0.326 176.378 176.117 -0.108 0.000 1.139 131 I CA -0.030 61.163 61.300 -0.180 0.000 1.438 131 I CB -0.058 37.891 38.000 -0.086 0.000 1.085 131 I HN 0.170 8.308 8.210 -0.119 0.000 0.427 132 K N -6.053 114.279 120.400 -0.114 0.000 4.528 132 K HA -0.383 3.784 4.320 -0.255 0.000 0.441 132 K C -0.660 175.690 176.600 -0.417 0.000 0.390 132 K CA 2.077 58.218 56.287 -0.243 0.000 1.912 132 K CB -1.995 30.391 32.500 -0.189 0.000 0.729 132 K HN 0.331 8.505 8.250 -0.092 0.022 0.541 133 H N 0.333 119.384 119.070 -0.032 0.000 2.895 133 H HA 0.209 4.732 4.556 -0.054 0.000 0.282 133 H C -1.816 173.496 175.328 -0.026 0.000 1.338 133 H CA -1.299 54.712 56.048 -0.061 0.000 1.595 133 H CB 1.885 31.560 29.762 -0.145 0.000 1.771 133 H HN -0.167 7.999 8.280 0.003 0.115 0.573 134 E N 3.628 123.934 120.200 0.178 0.000 2.341 134 E HA -0.145 4.402 4.350 0.328 0.000 0.256 134 E C -1.048 175.537 176.600 -0.025 0.000 1.125 134 E CA 0.372 56.871 56.400 0.164 0.000 0.939 134 E CB -0.517 29.279 29.700 0.160 0.000 0.991 134 E HN 0.092 8.546 8.360 0.156 0.000 0.458 135 C N 5.298 124.492 119.300 -0.177 0.000 2.344 135 C HA 0.259 4.621 4.460 -0.163 0.000 0.326 135 C C -1.471 173.408 174.990 -0.185 0.000 1.201 135 C CA -1.612 57.246 59.018 -0.267 0.000 1.410 135 C CB 2.381 29.788 27.740 -0.555 0.000 2.070 135 C HN 0.353 8.361 8.230 -0.190 0.108 0.445 136 Q N 8.398 128.170 119.800 -0.048 0.000 2.221 136 Q HA -0.040 4.434 4.340 0.080 -0.086 0.242 136 Q C -2.031 174.094 176.000 0.207 0.000 0.940 136 Q CA -0.327 55.516 55.803 0.066 0.000 0.896 136 Q CB 2.040 30.796 28.738 0.031 0.000 1.226 136 Q HN 0.403 8.645 8.270 -0.047 0.000 0.463 137 A N 3.547 126.563 122.820 0.327 0.000 2.497 137 A HA 0.270 4.789 4.320 0.331 0.000 0.280 137 A C -2.212 175.568 177.584 0.326 0.000 1.065 137 A CA 0.176 52.489 52.037 0.460 0.000 0.781 137 A CB 2.088 21.549 19.000 0.769 0.000 1.289 137 A HN 0.025 8.350 8.150 0.292 0.000 0.415 138 N N 4.011 122.803 118.700 0.152 0.000 2.671 138 N HA 0.189 4.875 4.740 -0.330 -0.144 0.303 138 N C -1.001 174.545 175.510 0.060 0.000 1.351 138 N CA -0.308 52.705 53.050 -0.061 0.000 0.991 138 N CB 0.958 39.413 38.487 -0.054 0.000 1.307 138 N HN 0.444 8.926 8.380 0.170 0.000 0.512 139 G N -1.690 107.310 108.800 0.334 0.000 2.433 139 G HA2 0.058 4.283 3.960 0.443 0.000 0.306 139 G HA3 0.058 4.178 3.960 0.267 0.000 0.306 139 G C -2.382 172.900 174.900 0.636 0.000 1.627 139 G CA 0.108 45.476 45.100 0.446 0.000 0.893 139 G HN -0.688 7.835 8.290 0.596 0.125 0.648 140 P HA -0.027 4.021 4.420 -0.619 0.000 0.239 140 P C -1.004 176.316 177.300 0.033 0.000 1.184 140 P CA 0.762 63.783 63.100 -0.133 0.000 0.760 140 P CB 0.559 32.109 31.700 -0.250 0.000 0.884 141 E N -3.111 117.171 120.200 0.138 0.000 2.250 141 E HA -0.141 4.267 4.350 0.096 0.000 0.192 141 E C 1.791 178.487 176.600 0.159 0.000 0.986 141 E CA 1.316 57.788 56.400 0.120 0.000 0.849 141 E CB -0.388 29.367 29.700 0.091 0.000 0.797 141 E HN -0.034 8.333 8.360 0.191 0.108 0.482 142 D N 0.200 120.730 120.400 0.217 0.000 2.310 142 D HA -0.202 4.520 4.640 0.137 0.000 0.212 142 D C 0.773 177.234 176.300 0.268 0.000 0.965 142 D CA 3.542 57.667 54.000 0.209 0.000 0.879 142 D CB 0.098 41.042 40.800 0.240 0.000 0.921 142 D HN -0.346 8.078 8.370 0.265 0.105 0.510 143 L N -4.304 117.138 121.223 0.365 0.000 2.341 143 L HA -0.116 4.699 4.340 0.791 0.000 0.214 143 L C -0.788 176.304 176.870 0.370 0.000 1.115 143 L CA 0.597 55.764 54.840 0.544 0.000 0.820 143 L CB 0.280 42.636 42.059 0.496 0.000 0.944 143 L HN -0.589 7.778 8.230 0.313 0.051 0.452 144 N N -0.016 118.862 118.700 0.296 0.000 1.920 144 N HA -0.320 4.616 4.740 0.326 0.000 0.307 144 N C 0.941 176.407 175.510 -0.074 0.000 1.305 144 N CA 0.609 53.769 53.050 0.184 0.000 0.800 144 N CB 0.971 39.498 38.487 0.067 0.000 1.035 144 N HN -0.669 7.661 8.380 0.254 0.203 0.498 145 R N 3.471 123.886 120.500 -0.142 0.000 2.127 145 R HA -0.320 3.474 4.340 -0.911 0.000 0.238 145 R C 1.216 177.038 176.300 -0.798 0.000 1.134 145 R CA 3.107 58.676 56.100 -0.884 0.000 0.975 145 R CB -0.270 29.302 30.300 -1.213 0.000 0.865 145 R HN 0.542 9.006 8.270 0.322 0.000 0.447 146 A N -1.788 120.785 122.820 -0.411 0.000 1.933 146 A HA -0.101 4.048 4.320 -0.287 0.000 0.218 146 A C 0.992 178.469 177.584 -0.178 0.000 1.175 146 A CA 2.201 54.083 52.037 -0.259 0.000 0.628 146 A CB -0.893 18.023 19.000 -0.140 0.000 0.814 146 A HN 0.247 8.291 8.150 -0.277 -0.060 0.444 147 C N -2.715 116.497 119.300 -0.147 0.000 2.464 147 C HA -0.043 4.371 4.460 -0.077 0.000 0.278 147 C C 1.158 176.073 174.990 -0.124 0.000 1.375 147 C CA 1.629 60.590 59.018 -0.094 0.000 1.761 147 C CB 0.833 28.550 27.740 -0.039 0.000 1.944 147 C HN -0.350 7.780 8.230 -0.146 0.012 0.509 148 I N -1.118 119.354 120.570 -0.164 0.000 3.059 148 I HA -0.151 3.894 4.170 -0.208 0.000 0.270 148 I C 0.607 176.707 176.117 -0.028 0.000 1.238 148 I CA -0.479 60.745 61.300 -0.127 0.000 1.478 148 I CB -1.616 36.368 38.000 -0.028 0.000 1.097 148 I HN 0.280 8.097 8.210 -0.236 0.252 0.455 149 A N -2.687 120.101 122.820 -0.054 0.000 2.411 149 A HA 0.009 4.424 4.320 0.110 -0.028 0.251 149 A C -0.236 177.320 177.584 -0.047 0.000 1.317 149 A CA 0.548 52.587 52.037 0.003 0.000 0.904 149 A CB -1.116 17.829 19.000 -0.090 0.000 0.993 149 A HN 0.142 8.004 8.150 -0.175 0.183 0.504 150 E N -1.816 118.334 120.200 -0.084 0.000 2.571 150 E HA 0.001 4.433 4.350 -0.050 -0.112 0.204 150 E C 1.260 177.795 176.600 -0.109 0.000 0.851 150 E CA 1.223 57.578 56.400 -0.075 0.000 1.358 150 E CB 1.915 31.574 29.700 -0.068 0.000 1.327 150 E HN -0.264 7.798 8.360 -0.111 0.232 0.665 151 K N 0.003 120.294 120.400 -0.181 0.000 2.211 151 K HA -0.215 3.990 4.320 -0.191 0.000 0.203 151 K C 1.066 177.472 176.600 -0.323 0.000 1.050 151 K CA 2.785 58.901 56.287 -0.284 0.000 0.945 151 K CB 0.088 32.324 32.500 -0.439 0.000 0.732 151 K HN 0.013 8.069 8.250 -0.182 0.085 0.451 152 L N -5.646 115.411 121.223 -0.276 0.000 2.624 152 L HA 0.180 4.477 4.340 -0.072 0.000 0.222 152 L C 0.465 177.296 176.870 -0.065 0.000 1.046 152 L CA 0.792 55.523 54.840 -0.181 0.000 0.872 152 L CB 1.651 43.470 42.059 -0.400 0.000 1.190 152 L HN -0.532 7.609 8.230 -0.235 -0.052 0.487 153 G N -4.075 104.694 108.800 -0.052 0.000 3.181 153 G HA2 0.085 4.063 3.960 0.030 0.000 0.219 153 G HA3 0.085 4.196 3.960 0.016 -0.141 0.219 153 G C 0.236 175.131 174.900 -0.009 0.000 1.182 153 G CA -0.047 45.055 45.100 0.003 0.000 0.791 153 G HN -0.637 7.605 8.290 -0.080 -0.000 0.537 154 G N -1.637 107.147 108.800 -0.027 0.000 3.337 154 G HA2 0.170 4.122 3.960 -0.014 0.000 0.246 154 G HA3 0.170 4.215 3.960 -0.032 -0.104 0.246 154 G C -0.962 173.935 174.900 -0.004 0.000 1.131 154 G CA -0.104 44.984 45.100 -0.020 0.000 0.773 154 G HN -0.302 7.814 8.290 -0.046 0.147 0.544 155 S N 0.008 115.712 115.700 0.007 0.000 4.403 155 S HA 0.333 4.813 4.470 0.016 0.000 0.183 155 S C -1.098 173.521 174.600 0.031 0.000 1.070 155 S CA 0.191 58.403 58.200 0.020 0.000 1.145 155 S CB 1.226 64.442 63.200 0.027 0.000 1.585 155 S HN -0.711 7.515 8.310 0.008 0.088 0.634 156 L N -2.194 119.057 121.223 0.046 0.000 2.367 156 L HA 0.438 4.808 4.340 0.049 0.000 0.263 156 L C -0.994 175.928 176.870 0.087 0.000 1.473 156 L CA 0.012 54.886 54.840 0.056 0.000 0.807 156 L CB -0.259 41.830 42.059 0.050 0.000 0.968 156 L HN -0.671 7.590 8.230 0.050 0.000 0.520 157 I N -3.417 117.213 120.570 0.099 0.000 5.097 157 I HA 0.733 5.015 4.170 0.184 -0.002 0.154 157 I C -0.877 175.320 176.117 0.134 0.000 0.739 157 I CA -1.423 59.973 61.300 0.160 0.000 2.375 157 I CB 2.239 40.363 38.000 0.206 0.000 1.300 157 I HN -0.443 7.815 8.210 0.079 0.000 0.462 158 V N -4.372 115.637 119.914 0.159 0.000 3.415 158 V HA -0.017 4.159 4.120 0.093 0.000 0.255 158 V C -2.124 174.055 176.094 0.141 0.000 1.799 158 V CA 0.798 63.170 62.300 0.119 0.000 1.041 158 V CB 3.152 35.030 31.823 0.092 0.000 0.945 158 V HN -0.373 7.943 8.190 0.210 0.000 0.347 159 A N -1.359 121.586 122.820 0.210 0.000 2.498 159 A HA 0.379 4.979 4.320 0.198 -0.160 0.298 159 A C -0.583 177.236 177.584 0.392 0.000 1.075 159 A CA -0.798 51.388 52.037 0.249 0.000 0.714 159 A CB 2.163 21.299 19.000 0.228 0.000 1.299 159 A HN -0.676 7.629 8.150 0.258 0.000 0.407 160 F N -2.635 117.370 119.950 0.091 0.000 2.481 160 F HA -0.334 4.226 4.527 0.054 0.000 0.695 160 F C -0.572 175.234 175.800 0.010 0.000 0.489 160 F CA 2.723 60.749 58.000 0.043 0.000 0.988 160 F CB -0.362 38.632 39.000 -0.010 0.000 1.801 160 F HN 0.429 8.933 8.300 0.339 0.000 0.267 161 E N -0.153 120.154 120.200 0.179 0.000 2.490 161 E HA 0.101 4.602 4.350 0.014 -0.142 0.209 161 E C 0.086 176.729 176.600 0.072 0.000 0.971 161 E CA 0.668 57.111 56.400 0.070 0.000 0.988 161 E CB 1.289 31.028 29.700 0.064 0.000 1.029 161 E HN -0.475 7.892 8.360 0.254 0.146 0.496 162 G N -1.314 107.551 108.800 0.107 0.000 2.446 162 G HA2 0.076 4.072 3.960 0.061 0.000 0.200 162 G HA3 0.076 4.259 3.960 0.089 -0.171 0.200 162 G C -0.186 174.763 174.900 0.082 0.000 1.707 162 G CA 0.181 45.331 45.100 0.083 0.000 0.697 162 G HN -0.396 7.982 8.290 0.158 0.007 0.675 163 C N 0.637 119.998 119.300 0.102 0.000 2.667 163 C HA -0.165 4.336 4.460 0.068 0.000 0.287 163 C C 0.175 175.220 174.990 0.092 0.000 1.256 163 C CA 4.231 63.302 59.018 0.089 0.000 1.738 163 C CB -0.932 26.864 27.740 0.093 0.000 2.113 163 C HN -0.114 8.091 8.230 0.119 0.097 0.470 164 P HA -0.019 4.459 4.420 0.097 0.000 0.217 164 P C -1.130 176.210 177.300 0.067 0.000 1.151 164 P CA 1.438 64.611 63.100 0.123 0.000 0.828 164 P CB 0.056 31.886 31.700 0.216 0.000 0.788 165 V N 0.000 119.948 119.914 0.057 0.000 2.409 165 V HA 0.000 4.112 4.120 -0.013 0.000 0.244 165 V CA 0.000 62.288 62.300 -0.021 0.000 1.235 165 V CB 0.000 31.735 31.823 -0.146 0.000 1.184 165 V HN 0.000 8.334 8.190 0.117 -0.074 0.556