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 2do8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFGNLQGKFI IATPEMDDEY FDRTVIYICE HNDNGTIGVI INTPTDLSVL DATA SEQUENCE ELLTRMDFQM AKPRIYTQDQ MVLNGGPVNQ DRGFIVHSKT DHEFTHSYKV DATA SEQUENCE TDDITLTTSG DVLDSFGTQT APEKFIVCLG CSTWKPHQLE QEIAQNYWLL DATA SEQUENCE SEANNQTLFE TSYLDRWVEA NEMLGISGIL APAGRALE 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 1 M HA 0.000 4.663 4.480 0.304 0.000 0.227 1 M C 0.000 176.437 176.300 0.229 0.000 1.140 1 M CA 0.000 55.419 55.300 0.199 0.000 0.988 1 M CB 0.000 32.622 32.600 0.036 0.000 1.302 2 F N -1.394 118.523 119.950 -0.055 0.000 2.092 2 F HA -0.162 4.307 4.527 -0.096 0.000 0.446 2 F C -0.117 175.620 175.800 -0.106 0.000 1.207 2 F CA -0.153 57.770 58.000 -0.128 0.000 1.444 2 F CB -0.333 38.514 39.000 -0.255 0.000 2.290 2 F HN -0.154 7.935 8.300 -0.352 0.000 0.730 3 G N 3.152 111.988 108.800 0.060 0.000 2.843 3 G HA2 -0.282 3.719 3.960 0.069 0.000 0.275 3 G HA3 -0.282 3.697 3.960 0.031 0.000 0.275 3 G C -1.315 173.621 174.900 0.060 0.000 0.709 3 G CA 0.254 45.387 45.100 0.054 0.000 2.089 3 G HN 0.380 8.680 8.290 0.016 0.000 0.571 4 N N 0.964 119.708 118.700 0.073 0.000 3.351 4 N HA -0.467 4.380 4.740 0.178 0.000 0.282 4 N C -0.721 174.789 175.510 0.001 0.000 1.898 4 N CA 0.640 53.741 53.050 0.084 0.000 2.037 4 N CB -0.078 38.466 38.487 0.095 0.000 0.724 4 N HN 0.148 8.528 8.380 0.094 0.056 0.535 5 L N 2.713 123.896 121.223 -0.067 0.000 2.599 5 L HA -0.083 4.180 4.340 -0.128 0.000 0.230 5 L C -0.420 176.447 176.870 -0.004 0.000 1.141 5 L CA 0.052 54.825 54.840 -0.112 0.000 0.877 5 L CB -0.289 41.626 42.059 -0.240 0.000 1.009 5 L HN 0.705 8.919 8.230 -0.028 0.000 0.447 6 Q N 0.201 120.038 119.800 0.062 0.000 2.337 6 Q HA -0.332 4.260 4.340 0.126 -0.176 0.270 6 Q C 1.136 177.192 176.000 0.093 0.000 1.002 6 Q CA 1.395 57.258 55.803 0.101 0.000 0.888 6 Q CB 0.542 29.344 28.738 0.107 0.000 1.222 6 Q HN -0.485 8.075 8.270 0.080 -0.242 0.400 7 G N 6.396 115.282 108.800 0.143 0.000 2.148 7 G HA2 -0.540 3.477 3.960 0.096 0.000 0.254 7 G HA3 -0.540 3.457 3.960 0.063 0.000 0.254 7 G C -1.280 173.702 174.900 0.136 0.000 0.981 7 G CA 0.653 45.818 45.100 0.110 0.000 0.670 7 G HN 0.292 8.719 8.290 0.228 0.000 0.528 8 K N -1.015 119.466 120.400 0.135 0.000 2.238 8 K HA 0.676 5.056 4.320 0.100 0.000 0.239 8 K C -1.948 174.771 176.600 0.197 0.000 0.987 8 K CA -2.537 53.803 56.287 0.088 0.000 0.857 8 K CB 2.655 35.124 32.500 -0.052 0.000 1.154 8 K HN -0.726 7.544 8.250 0.129 0.057 0.439 9 F N -2.667 117.280 119.950 -0.005 0.000 2.613 9 F HA 0.456 4.963 4.527 -0.032 0.000 0.310 9 F C -3.001 172.773 175.800 -0.043 0.000 1.085 9 F CA -1.467 56.526 58.000 -0.012 0.000 0.945 9 F CB 3.184 42.206 39.000 0.036 0.000 1.298 9 F HN 0.816 8.939 8.300 -0.294 0.000 0.455 10 I N -3.426 117.170 120.570 0.044 0.000 2.406 10 I HA 0.911 5.230 4.170 -0.115 -0.219 0.290 10 I C -1.145 175.078 176.117 0.177 0.000 0.999 10 I CA -2.296 59.003 61.300 -0.002 0.000 1.124 10 I CB 2.357 40.298 38.000 -0.099 0.000 1.289 10 I HN 0.081 8.366 8.210 0.125 0.000 0.441 11 I N 5.244 125.900 120.570 0.143 0.000 2.294 11 I HA 0.036 4.324 4.170 0.198 0.000 0.295 11 I C -0.586 175.594 176.117 0.104 0.000 1.098 11 I CA -0.639 60.751 61.300 0.150 0.000 1.277 11 I CB -1.245 36.816 38.000 0.101 0.000 1.434 11 I HN 0.808 8.929 8.210 0.052 0.120 0.498 12 A N 8.440 131.334 122.820 0.122 0.000 1.887 12 A HA 0.218 4.430 4.320 -0.180 0.000 0.210 12 A C -0.077 177.467 177.584 -0.068 0.000 1.221 12 A CA 0.440 52.472 52.037 -0.008 0.000 0.635 12 A CB 0.974 20.060 19.000 0.143 0.000 0.881 12 A HN -0.003 8.243 8.150 0.161 0.000 0.456 13 T N -0.567 113.988 114.554 0.002 0.000 2.851 13 T HA -0.208 4.151 4.350 0.014 0.000 0.470 13 T C -2.554 172.131 174.700 -0.026 0.000 0.782 13 T CA -0.729 61.367 62.100 -0.007 0.000 2.467 13 T CB -0.481 68.378 68.868 -0.014 0.000 1.668 13 T HN 0.054 8.322 8.240 0.047 0.000 0.572 14 P HA 0.036 4.445 4.420 -0.017 0.000 0.272 14 P C 0.216 177.520 177.300 0.007 0.000 1.223 14 P CA -0.476 62.626 63.100 0.003 0.000 0.784 14 P CB 0.493 32.212 31.700 0.033 0.000 0.923 15 E N 1.594 121.797 120.200 0.005 0.000 2.058 15 E HA -0.292 4.062 4.350 0.006 0.000 0.194 15 E C 0.826 177.445 176.600 0.031 0.000 0.997 15 E CA 2.248 58.655 56.400 0.012 0.000 0.801 15 E CB 0.291 29.997 29.700 0.009 0.000 0.746 15 E HN 0.330 8.690 8.360 -0.001 0.000 0.450 16 M N -3.619 116.005 119.600 0.040 0.000 1.472 16 M HA -0.013 4.506 4.480 0.064 0.000 0.167 16 M C -1.853 174.485 176.300 0.063 0.000 1.287 16 M CA 1.146 56.481 55.300 0.058 0.000 0.681 16 M CB 1.427 34.063 32.600 0.061 0.000 1.641 16 M HN -0.620 7.692 8.290 0.036 0.000 0.632 17 D N 0.701 121.137 120.400 0.059 0.000 3.082 17 D HA -0.266 4.408 4.640 0.057 0.000 0.234 17 D C -0.230 176.114 176.300 0.073 0.000 1.159 17 D CA 1.378 55.415 54.000 0.062 0.000 0.875 17 D CB -0.706 40.132 40.800 0.062 0.000 0.946 17 D HN -0.068 8.334 8.370 0.053 0.000 0.411 18 D N -4.120 116.328 120.400 0.081 0.000 3.164 18 D HA -0.357 4.337 4.640 0.090 0.000 0.194 18 D C -0.887 175.499 176.300 0.144 0.000 1.437 18 D CA 1.929 55.987 54.000 0.097 0.000 2.125 18 D CB -0.133 40.717 40.800 0.084 0.000 1.321 18 D HN 0.193 8.607 8.370 0.074 0.000 0.465 19 E N -0.718 119.556 120.200 0.122 0.000 2.392 19 E HA -0.082 4.369 4.350 0.167 0.000 0.259 19 E C -1.335 175.368 176.600 0.171 0.000 1.108 19 E CA 0.386 56.855 56.400 0.115 0.000 0.916 19 E CB 1.130 30.841 29.700 0.018 0.000 0.989 19 E HN -0.147 8.166 8.360 0.092 0.102 0.432 20 Y N -4.687 115.660 120.300 0.079 0.000 2.652 20 Y HA 0.230 4.824 4.550 0.074 0.000 0.275 20 Y C -0.632 175.382 175.900 0.191 0.000 1.133 20 Y CA -0.299 57.858 58.100 0.096 0.000 1.246 20 Y CB 1.715 40.216 38.460 0.069 0.000 1.334 20 Y HN -0.181 7.924 8.280 -0.291 0.000 0.493 21 F N -3.065 116.519 119.950 -0.609 0.000 3.136 21 F HA 0.053 4.455 4.527 -0.208 0.000 0.417 21 F C -2.142 173.410 175.800 -0.412 0.000 1.037 21 F CA 0.776 58.538 58.000 -0.398 0.000 0.808 21 F CB 2.144 40.995 39.000 -0.250 0.000 1.633 21 F HN -0.115 8.032 8.300 -1.003 -0.448 0.505 22 D N 2.151 122.129 120.400 -0.704 0.000 2.631 22 D HA 0.069 4.629 4.640 -0.133 0.000 0.227 22 D C -1.011 175.194 176.300 -0.158 0.000 1.146 22 D CA -0.804 52.997 54.000 -0.332 0.000 1.009 22 D CB -0.754 39.868 40.800 -0.296 0.000 1.057 22 D HN -0.093 8.095 8.370 -1.075 -0.463 0.509 23 R N -0.591 119.850 120.500 -0.097 0.000 1.234 23 R HA -0.333 3.935 4.340 -0.119 0.000 0.419 23 R C -1.446 174.797 176.300 -0.095 0.000 1.334 23 R CA 1.052 57.089 56.100 -0.104 0.000 1.106 23 R CB -1.291 28.943 30.300 -0.111 0.000 3.296 23 R HN -0.334 7.815 8.270 -0.107 0.057 0.499 24 T N 3.244 117.751 114.554 -0.078 0.000 3.050 24 T HA 0.163 4.499 4.350 -0.024 0.000 0.310 24 T C -0.669 174.025 174.700 -0.011 0.000 0.978 24 T CA -0.395 61.684 62.100 -0.035 0.000 1.013 24 T CB 0.464 69.317 68.868 -0.026 0.000 1.000 24 T HN 0.156 8.341 8.240 -0.092 0.000 0.447 25 V N 5.735 125.654 119.914 0.008 0.000 3.524 25 V HA -0.359 3.775 4.120 0.023 0.000 0.504 25 V C -1.798 174.303 176.094 0.012 0.000 0.682 25 V CA 0.899 63.215 62.300 0.026 0.000 2.055 25 V CB -0.221 31.642 31.823 0.067 0.000 2.484 25 V HN 0.280 8.475 8.190 0.008 0.000 0.508 26 I N 3.965 124.560 120.570 0.042 0.000 3.859 26 I HA 0.176 4.343 4.170 -0.004 0.000 0.266 26 I C -2.500 173.758 176.117 0.235 0.000 1.132 26 I CA -0.189 61.171 61.300 0.100 0.000 1.361 26 I CB 4.030 42.150 38.000 0.200 0.000 1.690 26 I HN 0.026 8.250 8.210 0.024 0.000 0.424 27 Y N -8.261 112.057 120.300 0.030 0.000 2.779 27 Y HA 0.261 4.981 4.550 0.143 -0.084 0.340 27 Y C -3.093 172.817 175.900 0.016 0.000 1.252 27 Y CA -1.739 56.401 58.100 0.066 0.000 1.072 27 Y CB 0.936 39.434 38.460 0.064 0.000 1.343 27 Y HN -0.970 7.291 8.280 -0.031 0.000 0.450 28 I N -1.316 119.256 120.570 0.003 0.000 2.353 28 I HA 0.116 4.125 4.170 -0.268 0.000 0.293 28 I C 0.188 176.297 176.117 -0.012 0.000 0.992 28 I CA -1.208 60.016 61.300 -0.128 0.000 1.268 28 I CB 1.402 39.348 38.000 -0.090 0.000 1.387 28 I HN 0.131 8.476 8.210 0.225 0.000 0.478 29 C N 6.921 126.143 119.300 -0.130 0.000 2.518 29 C HA -0.167 4.459 4.460 0.277 0.000 0.279 29 C C -0.355 174.720 174.990 0.140 0.000 1.279 29 C CA 2.082 61.132 59.018 0.052 0.000 1.703 29 C CB 0.911 28.611 27.740 -0.065 0.000 2.072 29 C HN 0.555 8.561 8.230 -0.210 0.098 0.487 30 E N -6.063 114.186 120.200 0.082 0.000 2.429 30 E HA 0.125 4.558 4.350 0.138 0.000 0.280 30 E C -2.706 173.971 176.600 0.128 0.000 1.068 30 E CA -1.587 54.885 56.400 0.120 0.000 0.837 30 E CB 2.580 32.363 29.700 0.138 0.000 1.357 30 E HN -0.279 8.095 8.360 0.023 0.000 0.455 31 H N 1.819 120.906 119.070 0.029 0.000 2.906 31 H HA 0.336 4.894 4.556 0.003 0.000 0.324 31 H C -1.890 173.461 175.328 0.039 0.000 0.973 31 H CA -0.647 55.412 56.048 0.019 0.000 1.321 31 H CB 1.643 31.412 29.762 0.011 0.000 1.535 31 H HN 0.295 8.684 8.280 0.182 0.000 0.518 32 N N 6.017 124.545 118.700 -0.287 0.000 2.577 32 N HA 0.119 4.745 4.740 -0.189 0.000 0.285 32 N C -0.066 175.287 175.510 -0.262 0.000 1.309 32 N CA -0.432 52.487 53.050 -0.220 0.000 0.798 32 N CB 3.364 41.804 38.487 -0.078 0.000 1.463 32 N HN 0.230 8.475 8.380 -0.225 0.000 0.518 33 D N 0.192 120.505 120.400 -0.146 0.000 2.178 33 D HA -0.221 4.357 4.640 -0.103 0.000 0.201 33 D C 0.631 176.896 176.300 -0.059 0.000 0.980 33 D CA 2.553 56.498 54.000 -0.092 0.000 0.842 33 D CB 0.244 41.014 40.800 -0.049 0.000 0.948 33 D HN 0.428 8.735 8.370 -0.105 0.000 0.472 34 N N -1.933 116.735 118.700 -0.052 0.000 2.459 34 N HA -0.108 4.618 4.740 -0.023 0.000 0.181 34 N C -0.419 175.077 175.510 -0.024 0.000 1.046 34 N CA 0.500 53.531 53.050 -0.031 0.000 0.904 34 N CB 1.140 39.612 38.487 -0.026 0.000 0.964 34 N HN -0.290 8.393 8.380 -0.059 -0.338 0.444 35 G N -4.789 103.989 108.800 -0.036 0.000 2.359 35 G HA2 -0.083 3.892 3.960 0.025 0.000 0.293 35 G HA3 -0.083 3.884 3.960 0.012 0.000 0.293 35 G C -2.283 172.619 174.900 0.002 0.000 1.300 35 G CA -0.349 44.752 45.100 0.001 0.000 0.888 35 G HN -0.809 7.265 8.290 -0.074 0.173 0.541 36 T N 2.054 116.653 114.554 0.074 0.000 2.772 36 T HA 0.468 4.966 4.350 0.071 -0.106 0.288 36 T C -1.232 173.501 174.700 0.055 0.000 0.994 36 T CA 0.062 62.213 62.100 0.086 0.000 0.951 36 T CB 1.115 70.052 68.868 0.116 0.000 0.933 36 T HN 0.033 8.341 8.240 0.115 0.000 0.447 37 I N 7.875 128.451 120.570 0.009 0.000 2.315 37 I HA 0.524 4.860 4.170 -0.025 -0.181 0.291 37 I C -0.828 175.233 176.117 -0.093 0.000 1.006 37 I CA -1.103 60.174 61.300 -0.039 0.000 1.265 37 I CB 0.511 38.472 38.000 -0.065 0.000 1.387 37 I HN 0.298 8.520 8.210 0.019 0.000 0.475 38 G N 6.158 114.883 108.800 -0.125 0.000 2.646 38 G HA2 0.710 4.561 3.960 -0.312 0.000 0.291 38 G HA3 0.710 4.543 3.960 -0.211 0.000 0.291 38 G C -2.775 171.999 174.900 -0.211 0.000 1.445 38 G CA 0.121 45.089 45.100 -0.220 0.000 0.814 38 G HN 0.781 9.024 8.290 -0.079 0.000 0.495 39 V N -1.857 117.881 119.914 -0.293 0.000 2.235 39 V HA 0.640 4.695 4.120 -0.109 0.000 0.266 39 V C -1.451 174.574 176.094 -0.115 0.000 1.055 39 V CA -2.429 59.760 62.300 -0.185 0.000 0.844 39 V CB -0.695 31.004 31.823 -0.207 0.000 1.097 39 V HN -0.061 7.870 8.190 -0.433 0.000 0.453 40 I N -0.117 120.420 120.570 -0.054 0.000 4.310 40 I HA 0.301 4.470 4.170 -0.001 0.000 0.328 40 I C -0.392 175.776 176.117 0.085 0.000 1.406 40 I CA 0.060 61.352 61.300 -0.013 0.000 1.174 40 I CB 0.044 37.982 38.000 -0.102 0.000 1.279 40 I HN -0.253 7.941 8.210 -0.026 0.000 0.471 41 I N 2.523 123.163 120.570 0.116 0.000 2.353 41 I HA -0.296 4.032 4.170 0.263 0.000 0.248 41 I C -0.037 176.160 176.117 0.134 0.000 1.119 41 I CA 1.023 62.429 61.300 0.176 0.000 1.417 41 I CB 0.614 38.708 38.000 0.156 0.000 1.078 41 I HN -0.249 8.008 8.210 0.079 0.000 0.421 42 N N -0.586 118.168 118.700 0.090 0.000 2.394 42 N HA -0.282 4.490 4.740 0.054 0.000 0.288 42 N C -1.612 173.942 175.510 0.073 0.000 1.501 42 N CA 1.181 54.273 53.050 0.071 0.000 0.707 42 N CB -1.045 37.484 38.487 0.069 0.000 0.936 42 N HN -0.006 8.419 8.380 0.074 0.000 0.475 43 T N 4.296 118.889 114.554 0.065 0.000 3.634 43 T HA 0.395 4.787 4.350 0.069 0.000 0.319 43 T C -2.582 172.157 174.700 0.066 0.000 0.773 43 T CA -1.991 60.150 62.100 0.067 0.000 1.085 43 T CB 1.063 69.972 68.868 0.067 0.000 1.025 43 T HN 0.108 8.384 8.240 0.059 0.000 0.483 44 P HA 0.126 4.588 4.420 0.070 0.000 0.274 44 P C -0.846 176.501 177.300 0.079 0.000 1.231 44 P CA -0.497 62.649 63.100 0.076 0.000 0.790 44 P CB 0.973 32.726 31.700 0.090 0.000 0.951 45 T N -0.058 114.542 114.554 0.077 0.000 2.949 45 T HA 0.210 4.600 4.350 0.066 0.000 0.287 45 T C -0.268 174.475 174.700 0.071 0.000 1.034 45 T CA -2.233 59.909 62.100 0.070 0.000 1.018 45 T CB 2.248 71.154 68.868 0.063 0.000 1.135 45 T HN -0.101 8.186 8.240 0.077 0.000 0.532 46 D N -0.798 119.638 120.400 0.060 0.000 2.349 46 D HA 0.008 4.684 4.640 0.061 0.000 0.224 46 D C -0.419 175.912 176.300 0.052 0.000 1.029 46 D CA 1.420 55.453 54.000 0.055 0.000 0.879 46 D CB -0.064 40.761 40.800 0.043 0.000 0.906 46 D HN 0.169 8.572 8.370 0.055 0.000 0.528 47 L N 0.110 121.366 121.223 0.054 0.000 2.379 47 L HA 0.233 4.602 4.340 0.048 0.000 0.269 47 L C -1.375 175.528 176.870 0.055 0.000 1.084 47 L CA -0.223 54.648 54.840 0.052 0.000 0.802 47 L CB 2.077 44.168 42.059 0.053 0.000 1.175 47 L HN -0.780 7.402 8.230 0.057 0.082 0.448 48 S N 3.227 118.958 115.700 0.051 0.000 2.593 48 S HA 0.368 4.966 4.470 0.051 -0.097 0.297 48 S C 0.405 175.033 174.600 0.047 0.000 1.112 48 S CA -0.923 57.306 58.200 0.048 0.000 1.043 48 S CB 2.180 65.405 63.200 0.042 0.000 1.054 48 S HN -0.084 8.256 8.310 0.049 0.000 0.516 49 V N 4.323 124.262 119.914 0.041 0.000 2.295 49 V HA -0.302 3.849 4.120 0.053 0.000 0.246 49 V C 0.764 176.871 176.094 0.021 0.000 1.049 49 V CA 3.474 65.798 62.300 0.040 0.000 1.024 49 V CB 0.172 32.023 31.823 0.046 0.000 0.648 49 V HN 1.009 9.108 8.190 0.037 0.113 0.447 50 L N -2.791 118.438 121.223 0.010 0.000 2.240 50 L HA -0.284 4.046 4.340 -0.017 0.000 0.211 50 L C 2.124 179.019 176.870 0.042 0.000 1.106 50 L CA 2.580 57.424 54.840 0.007 0.000 0.793 50 L CB -0.945 41.114 42.059 -0.000 0.000 0.927 50 L HN -0.386 8.232 8.230 0.011 -0.381 0.446 51 E N 1.230 121.458 120.200 0.046 0.000 2.038 51 E HA -0.257 4.124 4.350 0.052 0.000 0.195 51 E C 2.678 179.321 176.600 0.071 0.000 1.000 51 E CA 3.158 59.590 56.400 0.054 0.000 0.803 51 E CB -0.312 29.417 29.700 0.049 0.000 0.750 51 E HN -0.458 7.874 8.360 0.040 0.051 0.448 52 L N -3.667 117.602 121.223 0.077 0.000 2.093 52 L HA -0.183 4.211 4.340 0.091 0.000 0.208 52 L C 2.122 179.088 176.870 0.161 0.000 1.085 52 L CA 3.381 58.282 54.840 0.101 0.000 0.755 52 L CB -0.826 41.288 42.059 0.092 0.000 0.904 52 L HN -0.519 7.751 8.230 0.066 0.000 0.435 53 L N -1.357 119.962 121.223 0.161 0.000 1.994 53 L HA -0.399 4.229 4.340 0.480 0.000 0.208 53 L C 2.246 179.302 176.870 0.310 0.000 1.071 53 L CA 3.176 58.187 54.840 0.284 0.000 0.745 53 L CB -0.567 41.561 42.059 0.115 0.000 0.892 53 L HN -0.690 7.587 8.230 0.101 0.013 0.431 54 T N -4.800 109.856 114.554 0.171 0.000 2.951 54 T HA -0.270 4.233 4.350 0.148 -0.064 0.268 54 T C 1.957 176.711 174.700 0.090 0.000 1.073 54 T CA 2.875 65.051 62.100 0.126 0.000 1.134 54 T CB -0.273 68.646 68.868 0.086 0.000 0.884 54 T HN -0.023 8.294 8.240 0.128 0.000 0.479 55 R N 0.624 121.177 120.500 0.089 0.000 2.092 55 R HA -0.188 4.179 4.340 0.044 0.000 0.231 55 R C 1.376 177.701 176.300 0.042 0.000 1.119 55 R CA 2.314 58.450 56.100 0.059 0.000 0.970 55 R CB 0.237 30.573 30.300 0.060 0.000 0.864 55 R HN -0.299 8.009 8.270 0.104 0.024 0.440 56 M N -2.821 116.816 119.600 0.062 0.000 2.087 56 M HA -0.067 4.409 4.480 -0.006 0.000 0.233 56 M C 0.941 177.170 176.300 -0.119 0.000 1.211 56 M CA 2.543 57.841 55.300 -0.003 0.000 1.106 56 M CB 0.961 33.593 32.600 0.053 0.000 1.125 56 M HN -0.560 7.804 8.290 0.123 0.000 0.438 57 D N -3.559 116.646 120.400 -0.325 0.000 2.672 57 D HA 0.098 4.590 4.640 -0.247 0.000 0.287 57 D C -0.694 175.215 176.300 -0.653 0.000 1.559 57 D CA 0.064 53.781 54.000 -0.472 0.000 0.796 57 D CB 1.226 41.709 40.800 -0.528 0.000 1.181 57 D HN -0.011 8.140 8.370 -0.365 0.000 0.458 58 F N -0.553 119.423 119.950 0.043 0.000 2.739 58 F HA 0.262 4.824 4.527 0.058 0.000 0.345 58 F C 0.439 176.270 175.800 0.053 0.000 1.373 58 F CA -1.604 56.432 58.000 0.060 0.000 1.160 58 F CB -0.362 38.693 39.000 0.091 0.000 1.137 58 F HN -0.434 7.840 8.300 -0.043 0.000 0.524 59 Q N 1.915 121.785 119.800 0.116 0.000 2.119 59 Q HA -0.221 4.175 4.340 0.093 0.000 0.201 59 Q C 0.240 176.296 176.000 0.093 0.000 0.972 59 Q CA 2.366 58.221 55.803 0.086 0.000 0.847 59 Q CB -0.002 28.759 28.738 0.037 0.000 0.903 59 Q HN -0.186 8.051 8.270 0.041 0.057 0.433 60 M N 0.102 119.762 119.600 0.100 0.000 2.923 60 M HA 0.004 4.529 4.480 0.075 0.000 0.311 60 M C -1.283 175.087 176.300 0.116 0.000 1.376 60 M CA -0.772 54.583 55.300 0.091 0.000 1.468 60 M CB -1.217 31.427 32.600 0.074 0.000 1.151 60 M HN -0.282 8.070 8.290 0.103 0.000 0.517 61 A N 5.084 127.967 122.820 0.105 0.000 2.637 61 A HA 0.418 4.813 4.320 0.124 0.000 0.258 61 A C -1.509 176.121 177.584 0.076 0.000 1.250 61 A CA -0.703 51.392 52.037 0.097 0.000 0.931 61 A CB 2.027 21.067 19.000 0.067 0.000 1.488 61 A HN -0.328 7.843 8.150 0.091 0.034 0.464 62 K N -1.836 118.601 120.400 0.061 0.000 2.877 62 K HA 0.389 4.754 4.320 0.075 0.000 0.176 62 K C -1.475 175.166 176.600 0.069 0.000 1.075 62 K CA -1.603 54.725 56.287 0.069 0.000 0.939 62 K CB -0.586 31.958 32.500 0.074 0.000 1.237 62 K HN 0.070 8.344 8.250 0.040 0.000 0.607 63 P HA 0.196 4.658 4.420 0.070 0.000 0.245 63 P C -0.478 176.938 177.300 0.193 0.000 1.203 63 P CA -0.432 62.726 63.100 0.097 0.000 0.792 63 P CB 0.642 32.386 31.700 0.074 0.000 0.997 64 R N -4.260 116.335 120.500 0.158 0.000 3.797 64 R HA -0.390 4.003 4.340 0.088 0.000 0.502 64 R C 0.673 177.025 176.300 0.088 0.000 0.241 64 R CA 1.177 57.365 56.100 0.146 0.000 1.568 64 R CB -0.914 29.536 30.300 0.249 0.000 1.016 64 R HN -0.196 8.094 8.270 0.114 0.048 0.558 65 I N -4.944 115.600 120.570 -0.044 0.000 3.646 65 I HA -0.048 4.107 4.170 -0.025 0.000 0.301 65 I C 0.001 176.052 176.117 -0.111 0.000 1.276 65 I CA 1.277 62.523 61.300 -0.090 0.000 1.254 65 I CB -0.635 37.280 38.000 -0.141 0.000 1.020 65 I HN 0.213 8.358 8.210 -0.108 0.000 0.473 66 Y N 0.486 120.793 120.300 0.012 0.000 2.200 66 Y HA -0.335 4.221 4.550 0.011 0.000 0.290 66 Y C 0.988 176.894 175.900 0.011 0.000 1.137 66 Y CA 2.853 60.959 58.100 0.011 0.000 1.163 66 Y CB 0.117 38.583 38.460 0.011 0.000 0.988 66 Y HN -0.384 7.881 8.280 0.143 0.101 0.518 67 T N -6.552 108.105 114.554 0.172 0.000 10.012 67 T HA -0.550 3.850 4.350 0.084 0.000 0.364 67 T C -0.284 174.469 174.700 0.089 0.000 1.801 67 T CA 1.909 64.068 62.100 0.098 0.000 2.812 67 T CB -1.430 67.475 68.868 0.062 0.000 2.543 67 T HN -0.041 8.318 8.240 0.199 0.000 1.030 68 Q N 0.744 120.609 119.800 0.110 0.000 2.421 68 Q HA -0.062 4.314 4.340 0.059 0.000 0.255 68 Q C -1.884 174.141 176.000 0.042 0.000 1.013 68 Q CA 0.086 55.931 55.803 0.069 0.000 0.895 68 Q CB 0.921 29.699 28.738 0.067 0.000 1.271 68 Q HN -0.119 8.106 8.270 0.166 0.144 0.460 69 D N 0.004 120.422 120.400 0.030 0.000 2.636 69 D HA 0.086 4.729 4.640 0.005 0.000 0.275 69 D C -1.028 175.280 176.300 0.013 0.000 1.130 69 D CA -1.206 52.804 54.000 0.017 0.000 1.031 69 D CB 2.734 43.551 40.800 0.028 0.000 1.451 69 D HN -0.092 8.300 8.370 0.036 0.000 0.505 70 Q N -0.369 119.433 119.800 0.004 0.000 2.337 70 Q HA 0.264 4.617 4.340 0.021 0.000 0.266 70 Q C -0.652 175.366 176.000 0.030 0.000 1.023 70 Q CA -1.342 54.465 55.803 0.006 0.000 0.829 70 Q CB 2.407 31.122 28.738 -0.039 0.000 1.306 70 Q HN 0.271 8.541 8.270 0.001 0.000 0.449 71 M N 1.858 121.488 119.600 0.051 0.000 2.235 71 M HA 0.141 4.779 4.480 0.060 -0.122 0.351 71 M C 0.022 176.358 176.300 0.059 0.000 1.178 71 M CA -1.492 53.847 55.300 0.064 0.000 1.143 71 M CB 0.028 32.683 32.600 0.092 0.000 1.530 71 M HN 0.307 8.632 8.290 0.058 0.000 0.461 72 V N 3.585 123.538 119.914 0.065 0.000 2.509 72 V HA 0.067 4.231 4.120 0.072 0.000 0.284 72 V C -1.991 174.148 176.094 0.074 0.000 1.047 72 V CA -1.499 60.843 62.300 0.072 0.000 0.952 72 V CB 2.075 33.944 31.823 0.075 0.000 0.988 72 V HN 0.589 8.817 8.190 0.064 0.000 0.469 73 L N 8.041 129.311 121.223 0.078 0.000 2.334 73 L HA 0.250 4.633 4.340 0.072 0.000 0.270 73 L C -1.275 175.646 176.870 0.084 0.000 1.018 73 L CA -0.922 53.963 54.840 0.074 0.000 0.811 73 L CB 2.307 44.404 42.059 0.063 0.000 1.271 73 L HN -0.179 8.102 8.230 0.084 0.000 0.443 74 N N 1.137 119.883 118.700 0.077 0.000 2.444 74 N HA 0.186 5.113 4.740 0.094 -0.131 0.271 74 N C 0.600 176.155 175.510 0.074 0.000 1.069 74 N CA -0.108 52.991 53.050 0.080 0.000 0.965 74 N CB 1.252 39.781 38.487 0.070 0.000 1.092 74 N HN 0.272 8.694 8.380 0.071 0.000 0.476 75 G N 0.050 108.898 108.800 0.080 0.000 2.623 75 G HA2 0.007 3.988 3.960 0.035 0.000 0.214 75 G HA3 0.007 4.178 3.960 0.032 -0.192 0.214 75 G C -1.499 173.418 174.900 0.029 0.000 1.138 75 G CA 0.088 45.214 45.100 0.043 0.000 0.794 75 G HN 0.833 9.051 8.290 0.106 0.136 0.535 76 G N -1.995 106.833 108.800 0.047 0.000 2.337 76 G HA2 0.041 4.029 3.960 0.048 0.000 0.298 76 G HA3 0.041 4.145 3.960 0.027 -0.128 0.298 76 G C -2.809 172.115 174.900 0.040 0.000 1.335 76 G CA 0.155 45.279 45.100 0.040 0.000 0.875 76 G HN -0.892 7.396 8.290 0.063 0.040 0.579 77 P HA 0.030 4.467 4.420 0.029 0.000 0.236 77 P C -0.959 176.355 177.300 0.024 0.000 1.177 77 P CA 0.680 63.793 63.100 0.021 0.000 0.773 77 P CB 0.595 32.296 31.700 0.002 0.000 0.878 78 V N 1.941 121.869 119.914 0.023 0.000 2.617 78 V HA 0.005 4.140 4.120 0.025 0.000 0.298 78 V C -0.476 175.659 176.094 0.067 0.000 1.048 78 V CA -0.347 61.969 62.300 0.027 0.000 0.964 78 V CB 0.616 32.441 31.823 0.003 0.000 1.004 78 V HN -0.345 7.795 8.190 0.017 0.060 0.466 79 N N 1.100 119.854 118.700 0.090 0.000 2.747 79 N HA -0.371 4.450 4.740 0.135 0.000 0.249 79 N C 0.906 176.531 175.510 0.193 0.000 1.107 79 N CA 1.718 54.873 53.050 0.175 0.000 0.707 79 N CB -1.344 37.326 38.487 0.305 0.000 1.054 79 N HN 0.603 9.020 8.380 0.062 0.000 0.555 80 Q N -1.616 118.251 119.800 0.112 0.000 2.500 80 Q HA -0.169 4.242 4.340 0.119 0.000 0.213 80 Q C 0.417 176.454 176.000 0.061 0.000 0.974 80 Q CA 1.875 57.733 55.803 0.092 0.000 0.918 80 Q CB -0.559 28.217 28.738 0.062 0.000 0.980 80 Q HN 0.327 8.625 8.270 0.083 0.022 0.505 81 D N -2.644 117.783 120.400 0.044 0.000 2.312 81 D HA -0.107 4.540 4.640 0.011 0.000 0.211 81 D C -0.584 175.692 176.300 -0.040 0.000 0.964 81 D CA 1.081 55.084 54.000 0.006 0.000 0.877 81 D CB 0.477 41.278 40.800 0.002 0.000 0.924 81 D HN -0.086 8.227 8.370 0.063 0.095 0.515 82 R N -1.928 118.521 120.500 -0.085 0.000 2.686 82 R HA 0.299 4.525 4.340 -0.191 0.000 0.283 82 R C -1.612 174.487 176.300 -0.336 0.000 0.978 82 R CA -1.299 54.638 56.100 -0.271 0.000 0.897 82 R CB 3.735 33.745 30.300 -0.483 0.000 1.192 82 R HN -0.548 7.659 8.270 -0.010 0.057 0.457 83 G N 0.706 109.337 108.800 -0.282 0.000 2.319 83 G HA2 0.523 4.607 3.960 0.002 0.000 0.308 83 G HA3 0.523 4.455 3.960 -0.046 0.000 0.308 83 G C -1.080 173.681 174.900 -0.232 0.000 1.117 83 G CA -1.063 43.954 45.100 -0.138 0.000 0.903 83 G HN 0.345 8.494 8.290 -0.234 0.000 0.436 84 F N 6.982 126.973 119.950 0.069 0.000 2.410 84 F HA 0.146 4.716 4.527 0.071 0.000 0.349 84 F C -1.266 174.613 175.800 0.131 0.000 1.117 84 F CA -0.312 57.739 58.000 0.085 0.000 1.104 84 F CB 2.002 41.048 39.000 0.078 0.000 1.122 84 F HN 0.978 9.392 8.300 0.362 0.103 0.483 85 I N 4.145 124.887 120.570 0.287 0.000 2.355 85 I HA 0.587 5.198 4.170 0.332 -0.242 0.288 85 I C -0.899 175.407 176.117 0.315 0.000 0.999 85 I CA -1.525 59.958 61.300 0.306 0.000 1.163 85 I CB 1.446 39.601 38.000 0.259 0.000 1.316 85 I HN 0.936 9.181 8.210 0.231 0.104 0.454 86 V N 8.281 128.379 119.914 0.306 0.000 2.406 86 V HA 0.275 4.548 4.120 0.018 -0.142 0.272 86 V C -1.114 175.001 176.094 0.034 0.000 1.043 86 V CA -0.636 61.743 62.300 0.132 0.000 0.915 86 V CB 0.134 32.079 31.823 0.204 0.000 0.988 86 V HN 0.855 9.256 8.190 0.351 0.000 0.466 87 H N 4.246 123.160 119.070 -0.261 0.000 2.949 87 H HA 0.847 5.263 4.556 -0.435 -0.121 0.356 87 H C -1.234 173.761 175.328 -0.555 0.000 1.212 87 H CA -2.629 53.210 56.048 -0.348 0.000 1.136 87 H CB 3.266 33.030 29.762 0.003 0.000 1.869 87 H HN 0.488 8.413 8.280 -0.592 0.000 0.556 88 S N -0.591 114.943 115.700 -0.278 0.000 2.707 88 S HA 0.218 4.581 4.470 -0.363 -0.110 0.276 88 S C 0.027 174.643 174.600 0.027 0.000 1.179 88 S CA -0.961 57.124 58.200 -0.193 0.000 0.992 88 S CB 1.579 64.775 63.200 -0.006 0.000 1.030 88 S HN -0.329 7.978 8.310 -0.006 0.000 0.554 89 K N 1.543 121.932 120.400 -0.018 0.000 2.484 89 K HA -0.124 4.223 4.320 0.045 0.000 0.280 89 K C -0.186 176.425 176.600 0.018 0.000 1.013 89 K CA 1.061 57.354 56.287 0.009 0.000 1.029 89 K CB -0.062 32.416 32.500 -0.037 0.000 0.902 89 K HN 0.083 8.294 8.250 -0.065 0.000 0.481 90 T N 6.033 120.596 114.554 0.014 0.000 3.548 90 T HA 0.229 4.552 4.350 -0.044 0.000 0.329 90 T C -0.875 173.781 174.700 -0.075 0.000 0.960 90 T CA -0.271 61.816 62.100 -0.023 0.000 1.041 90 T CB 2.377 71.253 68.868 0.014 0.000 1.065 90 T HN 0.186 8.449 8.240 0.038 0.000 0.459 91 D N 4.329 124.632 120.400 -0.161 0.000 3.301 91 D HA -0.293 4.138 4.640 -0.349 0.000 0.217 91 D C -1.204 174.860 176.300 -0.392 0.000 1.548 91 D CA 1.743 55.589 54.000 -0.257 0.000 1.118 91 D CB 0.183 40.928 40.800 -0.091 0.000 0.684 91 D HN 0.262 8.538 8.370 -0.157 0.000 0.821 92 H N -0.525 118.557 119.070 0.020 0.000 2.562 92 H HA 0.165 4.738 4.556 0.029 0.000 0.249 92 H C -0.857 174.500 175.328 0.048 0.000 1.195 92 H CA -0.453 55.610 56.048 0.025 0.000 0.938 92 H CB 0.444 30.208 29.762 0.004 0.000 1.891 92 H HN 0.064 8.349 8.280 0.010 0.000 0.595 93 E N 0.793 121.070 120.200 0.128 0.000 2.280 93 E HA 0.117 4.537 4.350 0.117 0.000 0.264 93 E C -1.381 175.361 176.600 0.235 0.000 1.064 93 E CA -0.515 55.956 56.400 0.119 0.000 0.900 93 E CB 1.175 30.890 29.700 0.025 0.000 1.123 93 E HN -0.443 7.960 8.360 0.072 0.000 0.418 94 F N 0.147 120.092 119.950 -0.008 0.000 3.185 94 F HA 0.050 4.591 4.527 0.022 0.000 0.303 94 F C -1.808 173.974 175.800 -0.030 0.000 0.928 94 F CA 0.784 58.787 58.000 0.004 0.000 1.374 94 F CB 0.622 39.635 39.000 0.022 0.000 1.606 94 F HN 0.186 8.557 8.300 0.119 0.000 0.828 95 T N 8.196 122.634 114.554 -0.193 0.000 3.221 95 T HA 0.228 4.537 4.350 -0.069 0.000 0.250 95 T C -0.613 173.904 174.700 -0.305 0.000 0.988 95 T CA 0.346 62.312 62.100 -0.225 0.000 1.163 95 T CB 1.813 70.483 68.868 -0.330 0.000 1.098 95 T HN 0.554 8.964 8.240 -0.306 -0.354 0.422 96 H N 2.958 121.875 119.070 -0.255 0.000 2.348 96 H HA 0.390 4.859 4.556 -0.145 0.000 0.232 96 H C -2.302 172.858 175.328 -0.279 0.000 1.419 96 H CA -2.004 53.922 56.048 -0.204 0.000 1.416 96 H CB 0.198 29.889 29.762 -0.118 0.000 1.510 96 H HN 0.096 8.673 8.280 -0.264 -0.455 0.507 97 S N 0.730 116.184 115.700 -0.410 0.000 2.521 97 S HA 0.345 4.895 4.470 -0.122 -0.153 0.295 97 S C -1.847 172.718 174.600 -0.058 0.000 1.098 97 S CA -0.806 57.169 58.200 -0.376 0.000 0.999 97 S CB 2.843 65.567 63.200 -0.793 0.000 1.034 97 S HN -0.305 7.648 8.310 -0.595 0.000 0.483 98 Y N 5.776 126.061 120.300 -0.025 0.000 2.330 98 Y HA 0.106 4.724 4.550 0.113 0.000 0.336 98 Y C -1.617 174.333 175.900 0.085 0.000 1.036 98 Y CA -1.529 56.613 58.100 0.071 0.000 1.125 98 Y CB 3.003 41.508 38.460 0.076 0.000 1.194 98 Y HN 1.088 9.356 8.280 0.178 0.119 0.469 99 K N 8.029 128.180 120.400 -0.415 0.000 2.338 99 K HA -0.150 4.086 4.320 -0.141 0.000 0.290 99 K C -1.174 175.135 176.600 -0.485 0.000 1.069 99 K CA 1.075 57.162 56.287 -0.333 0.000 0.941 99 K CB -0.329 32.037 32.500 -0.223 0.000 1.023 99 K HN 0.448 8.429 8.250 -0.448 0.000 0.477 100 V N 5.784 125.556 119.914 -0.236 0.000 2.374 100 V HA -0.063 3.994 4.120 -0.104 0.000 0.241 100 V C 0.093 176.110 176.094 -0.127 0.000 1.034 100 V CA 1.730 63.950 62.300 -0.133 0.000 1.037 100 V CB 0.946 32.713 31.823 -0.094 0.000 0.682 100 V HN 0.279 8.363 8.190 -0.178 0.000 0.463 101 T N -4.281 110.188 114.554 -0.142 0.000 2.590 101 T HA 0.047 4.341 4.350 -0.093 0.000 0.282 101 T C -1.340 173.297 174.700 -0.105 0.000 0.989 101 T CA -2.035 59.998 62.100 -0.110 0.000 1.091 101 T CB 1.449 70.257 68.868 -0.099 0.000 1.460 101 T HN -0.766 7.375 8.240 -0.164 0.000 0.499 102 D N 0.505 120.854 120.400 -0.085 0.000 2.084 102 D HA -0.178 4.417 4.640 -0.075 0.000 0.196 102 D C 0.940 177.193 176.300 -0.078 0.000 0.985 102 D CA 3.271 57.226 54.000 -0.075 0.000 0.826 102 D CB 0.272 41.036 40.800 -0.060 0.000 0.978 102 D HN 0.325 8.650 8.370 -0.075 0.000 0.456 103 D N -3.020 117.326 120.400 -0.091 0.000 2.213 103 D HA 0.097 4.691 4.640 -0.078 0.000 0.205 103 D C 0.258 176.456 176.300 -0.170 0.000 0.961 103 D CA 1.709 55.647 54.000 -0.102 0.000 0.853 103 D CB 1.222 41.969 40.800 -0.088 0.000 0.967 103 D HN -0.451 8.122 8.370 -0.088 -0.256 0.496 104 I N -0.711 119.731 120.570 -0.214 0.000 2.396 104 I HA 0.221 4.279 4.170 -0.443 -0.154 0.289 104 I C -0.645 175.291 176.117 -0.302 0.000 1.056 104 I CA -1.552 59.547 61.300 -0.334 0.000 1.365 104 I CB -1.339 36.445 38.000 -0.360 0.000 1.407 104 I HN -0.349 7.757 8.210 -0.174 0.000 0.509 105 T N 7.633 121.923 114.554 -0.440 0.000 2.812 105 T HA 0.393 4.751 4.350 -0.185 -0.119 0.282 105 T C -1.527 172.927 174.700 -0.409 0.000 0.990 105 T CA -1.575 60.300 62.100 -0.375 0.000 0.960 105 T CB 2.113 70.768 68.868 -0.355 0.000 0.948 105 T HN 0.597 8.463 8.240 -0.623 0.000 0.438 106 L N 8.026 129.193 121.223 -0.094 0.000 2.255 106 L HA 0.481 4.984 4.340 0.054 -0.130 0.289 106 L C -1.739 175.208 176.870 0.129 0.000 1.046 106 L CA -1.129 53.763 54.840 0.086 0.000 0.816 106 L CB 1.695 43.917 42.059 0.271 0.000 1.197 106 L HN 0.955 9.170 8.230 -0.025 0.000 0.427 107 T N 9.645 124.290 114.554 0.152 0.000 2.792 107 T HA 0.596 5.121 4.350 0.075 -0.130 0.280 107 T C -0.759 173.992 174.700 0.085 0.000 0.990 107 T CA -0.063 62.108 62.100 0.118 0.000 0.960 107 T CB 2.108 71.064 68.868 0.145 0.000 0.939 107 T HN 0.850 9.201 8.240 0.185 0.000 0.439 108 T N 5.324 119.876 114.554 -0.003 0.000 3.010 108 T HA 0.284 4.681 4.350 -0.116 -0.116 0.253 108 T C -0.570 174.032 174.700 -0.163 0.000 0.939 108 T CA -0.154 61.859 62.100 -0.144 0.000 0.910 108 T CB 1.104 69.735 68.868 -0.395 0.000 1.226 108 T HN 0.498 8.737 8.240 -0.002 0.000 0.508 109 S N 0.916 116.545 115.700 -0.119 0.000 2.532 109 S HA 0.149 4.548 4.470 -0.118 0.000 0.318 109 S C 0.840 175.433 174.600 -0.012 0.000 1.083 109 S CA -1.900 56.232 58.200 -0.113 0.000 1.131 109 S CB -0.324 62.755 63.200 -0.201 0.000 0.973 109 S HN -0.357 7.904 8.310 -0.082 0.000 0.468 110 G N 10.043 118.829 108.800 -0.024 0.000 3.078 110 G HA2 -0.572 3.383 3.960 -0.009 0.000 0.227 110 G HA3 -0.572 3.437 3.960 0.081 0.000 0.227 110 G C 0.964 175.817 174.900 -0.079 0.000 1.306 110 G CA 1.756 46.858 45.100 0.002 0.000 0.841 110 G HN 0.558 8.814 8.290 -0.056 0.000 0.530 111 D N 2.808 123.178 120.400 -0.050 0.000 2.182 111 D HA -0.185 4.351 4.640 -0.175 0.000 0.201 111 D C 1.810 177.937 176.300 -0.288 0.000 0.986 111 D CA 2.768 56.674 54.000 -0.156 0.000 0.847 111 D CB -0.345 40.382 40.800 -0.123 0.000 0.942 111 D HN 0.159 8.458 8.370 0.056 0.105 0.467 112 V N -4.590 115.145 119.914 -0.298 0.000 2.469 112 V HA -0.259 3.561 4.120 -0.500 0.000 0.251 112 V C 1.369 176.881 176.094 -0.970 0.000 1.064 112 V CA 2.808 64.819 62.300 -0.480 0.000 1.066 112 V CB -0.855 30.816 31.823 -0.253 0.000 0.667 112 V HN -0.218 7.837 8.190 -0.195 0.018 0.461 113 L N -2.893 117.895 121.223 -0.725 0.000 2.217 113 L HA -0.215 3.346 4.340 -1.298 0.000 0.211 113 L C 1.416 177.884 176.870 -0.671 0.000 1.107 113 L CA 2.198 56.553 54.840 -0.809 0.000 0.783 113 L CB -1.728 40.116 42.059 -0.357 0.000 0.919 113 L HN -0.229 7.612 8.230 -0.444 0.123 0.442 114 D N -2.917 117.194 120.400 -0.482 0.000 2.194 114 D HA -0.171 4.321 4.640 -0.246 0.000 0.204 114 D C 1.019 177.092 176.300 -0.379 0.000 0.964 114 D CA 2.256 56.058 54.000 -0.329 0.000 0.846 114 D CB 0.686 41.349 40.800 -0.228 0.000 0.962 114 D HN -0.746 7.228 8.370 -0.434 0.135 0.490 115 S N -0.660 114.720 115.700 -0.533 0.000 2.349 115 S HA -0.194 4.090 4.470 -0.310 0.000 0.216 115 S C 0.433 174.818 174.600 -0.357 0.000 1.033 115 S CA 2.966 60.894 58.200 -0.454 0.000 1.021 115 S CB 0.538 63.405 63.200 -0.554 0.000 0.968 115 S HN -0.374 7.428 8.310 -0.631 0.129 0.426 116 F N -1.745 118.053 119.950 -0.254 0.000 2.429 116 F HA 0.029 4.465 4.527 -0.151 0.000 0.348 116 F C 0.834 176.572 175.800 -0.104 0.000 1.109 116 F CA 0.130 58.017 58.000 -0.189 0.000 1.232 116 F CB 0.176 39.025 39.000 -0.253 0.000 1.157 116 F HN -0.866 6.641 8.300 -1.322 0.000 0.564 117 G N 3.300 112.204 108.800 0.173 0.000 2.336 117 G HA2 -0.207 3.835 3.960 0.137 0.000 0.194 117 G HA3 -0.207 3.816 3.960 0.104 0.000 0.194 117 G C -1.298 173.634 174.900 0.054 0.000 0.999 117 G CA -0.396 44.774 45.100 0.116 0.000 0.669 117 G HN 0.299 8.688 8.290 0.166 0.000 0.482 118 T N -0.625 113.944 114.554 0.025 0.000 2.831 118 T HA 0.318 4.681 4.350 0.022 0.000 0.287 118 T C -0.562 174.147 174.700 0.014 0.000 1.070 118 T CA -2.663 59.444 62.100 0.011 0.000 1.010 118 T CB 0.705 69.565 68.868 -0.014 0.000 1.264 118 T HN -0.726 7.455 8.240 0.014 0.068 0.532 119 Q N -0.011 119.796 119.800 0.012 0.000 2.482 119 Q HA -0.013 4.343 4.340 0.026 0.000 0.209 119 Q C 0.196 176.198 176.000 0.004 0.000 0.961 119 Q CA 1.344 57.157 55.803 0.015 0.000 0.945 119 Q CB 0.070 28.818 28.738 0.016 0.000 1.012 119 Q HN 0.534 8.810 8.270 0.009 0.000 0.515 120 T N -6.111 108.435 114.554 -0.013 0.000 3.163 120 T HA 0.045 4.381 4.350 -0.023 0.000 0.252 120 T C -0.362 174.306 174.700 -0.053 0.000 1.056 120 T CA -0.950 61.132 62.100 -0.030 0.000 0.947 120 T CB -0.028 68.819 68.868 -0.036 0.000 1.016 120 T HN -0.329 7.823 8.240 -0.017 0.078 0.554 121 A N 4.356 127.158 122.820 -0.029 0.000 2.450 121 A HA 0.127 4.384 4.320 -0.109 -0.002 0.255 121 A C -2.065 175.526 177.584 0.012 0.000 1.096 121 A CA -1.734 50.287 52.037 -0.028 0.000 0.778 121 A CB -0.645 18.386 19.000 0.052 0.000 1.031 121 A HN -0.741 7.316 8.150 -0.005 0.090 0.494 122 P HA -0.055 4.411 4.420 0.075 0.000 0.268 122 P C -0.381 177.064 177.300 0.242 0.000 1.205 122 P CA -0.543 62.611 63.100 0.089 0.000 0.771 122 P CB 0.708 32.432 31.700 0.040 0.000 0.858 123 E N 3.135 123.465 120.200 0.217 0.000 2.038 123 E HA -0.355 4.110 4.350 0.193 0.000 0.195 123 E C 0.242 177.011 176.600 0.282 0.000 1.000 123 E CA 2.710 59.247 56.400 0.229 0.000 0.803 123 E CB 0.396 30.225 29.700 0.214 0.000 0.750 123 E HN 0.042 8.503 8.360 0.169 0.000 0.448 124 K N -2.762 117.864 120.400 0.376 0.000 2.378 124 K HA 0.340 4.732 4.320 0.120 0.000 0.252 124 K C -2.104 174.892 176.600 0.661 0.000 0.931 124 K CA -1.588 54.923 56.287 0.374 0.000 0.794 124 K CB 1.794 34.509 32.500 0.358 0.000 1.181 124 K HN -0.735 7.750 8.250 0.392 0.000 0.425 125 F N -3.161 117.022 119.950 0.389 0.000 2.628 125 F HA 0.899 5.976 4.527 0.595 -0.194 0.309 125 F C -1.716 174.279 175.800 0.326 0.000 1.108 125 F CA -1.992 56.261 58.000 0.421 0.000 0.971 125 F CB 3.169 42.325 39.000 0.260 0.000 1.279 125 F HN -0.109 8.046 8.300 -0.242 0.000 0.441 126 I N -2.487 118.378 120.570 0.492 0.000 2.569 126 I HA 0.528 4.770 4.170 0.120 0.000 0.296 126 I C -2.149 174.163 176.117 0.325 0.000 1.028 126 I CA -1.523 59.945 61.300 0.280 0.000 1.082 126 I CB 3.615 41.752 38.000 0.229 0.000 1.264 126 I HN 0.949 9.423 8.210 0.621 0.109 0.429 127 V N 4.017 124.076 119.914 0.241 0.000 2.495 127 V HA 0.860 5.361 4.120 0.274 -0.217 0.298 127 V C -1.289 174.917 176.094 0.187 0.000 1.031 127 V CA -1.991 60.450 62.300 0.235 0.000 0.871 127 V CB 2.231 34.182 31.823 0.215 0.000 0.988 127 V HN 0.233 8.525 8.190 0.170 0.000 0.432 128 C N 7.722 127.152 119.300 0.216 0.000 2.535 128 C HA 0.676 5.420 4.460 0.148 -0.195 0.319 128 C C -1.409 173.728 174.990 0.245 0.000 1.171 128 C CA -2.112 57.021 59.018 0.191 0.000 1.394 128 C CB 3.688 31.525 27.740 0.161 0.000 1.990 128 C HN 0.903 9.185 8.230 0.265 0.107 0.466 129 L N 4.149 125.482 121.223 0.182 0.000 2.315 129 L HA 0.104 4.689 4.340 0.192 -0.130 0.283 129 L C 0.839 177.841 176.870 0.219 0.000 1.089 129 L CA -0.454 54.496 54.840 0.183 0.000 0.833 129 L CB -1.078 41.048 42.059 0.112 0.000 1.170 129 L HN 0.632 8.947 8.230 0.141 0.000 0.442 130 G N 6.649 115.667 108.800 0.364 0.000 2.782 130 G HA2 -0.339 4.026 3.960 0.455 0.000 0.228 130 G HA3 -0.339 3.758 3.960 0.181 -0.028 0.228 130 G C -1.419 173.547 174.900 0.109 0.000 1.372 130 G CA 0.095 45.377 45.100 0.303 0.000 0.862 130 G HN 0.500 9.069 8.290 0.466 0.000 0.547 131 C N -1.713 117.576 119.300 -0.018 0.000 3.318 131 C HA 0.190 4.636 4.460 -0.106 -0.050 0.322 131 C C -1.896 173.063 174.990 -0.051 0.000 1.398 131 C CA -1.499 57.443 59.018 -0.126 0.000 1.339 131 C CB 4.572 32.116 27.740 -0.326 0.000 1.668 131 C HN 0.788 8.920 8.230 0.031 0.117 0.462 132 S N 1.103 116.781 115.700 -0.036 0.000 2.475 132 S HA 0.427 4.907 4.470 0.018 0.000 0.298 132 S C -1.564 173.062 174.600 0.043 0.000 1.119 132 S CA -0.846 57.373 58.200 0.031 0.000 1.085 132 S CB 1.352 64.624 63.200 0.120 0.000 1.028 132 S HN 0.634 8.901 8.310 -0.071 0.000 0.489 133 T N 1.251 115.828 114.554 0.039 0.000 2.809 133 T HA 0.520 5.127 4.350 0.070 -0.214 0.296 133 T C -0.581 174.163 174.700 0.074 0.000 1.015 133 T CA -2.149 59.981 62.100 0.050 0.000 0.954 133 T CB 1.243 70.111 68.868 -0.000 0.000 0.950 133 T HN 0.207 8.451 8.240 0.006 0.000 0.450 134 W N 5.994 127.249 121.300 -0.076 0.000 2.215 134 W HA -0.015 4.609 4.660 -0.060 0.000 0.342 134 W C 0.290 176.781 176.519 -0.046 0.000 1.237 134 W CA -0.221 57.081 57.345 -0.073 0.000 1.283 134 W CB 1.769 31.155 29.460 -0.122 0.000 1.131 134 W HN 0.765 9.025 8.180 0.300 0.100 0.606 135 K N 3.374 123.779 120.400 0.008 0.000 2.485 135 K HA 0.027 4.345 4.320 -0.003 0.000 0.277 135 K C -1.860 174.822 176.600 0.137 0.000 0.990 135 K CA -1.729 54.580 56.287 0.038 0.000 0.994 135 K CB -1.189 31.309 32.500 -0.002 0.000 0.906 135 K HN 0.282 8.364 8.250 -0.281 0.000 0.488 136 P HA -0.099 4.379 4.420 0.096 0.000 0.261 136 P C -0.854 176.580 177.300 0.223 0.000 1.203 136 P CA 1.422 64.591 63.100 0.115 0.000 0.767 136 P CB -0.192 31.544 31.700 0.060 0.000 0.785 137 H N -0.016 119.130 119.070 0.126 0.000 3.898 137 H HA -0.424 4.577 4.556 0.228 -0.308 0.171 137 H C 0.491 175.898 175.328 0.132 0.000 0.920 137 H CA 2.228 58.370 56.048 0.156 0.000 1.238 137 H CB -1.220 28.616 29.762 0.122 0.000 0.997 137 H HN 0.389 8.814 8.280 0.240 0.000 0.380 138 Q N -1.248 118.652 119.800 0.167 0.000 2.016 138 Q HA -0.323 4.101 4.340 0.140 0.000 0.200 138 Q C 1.120 177.167 176.000 0.078 0.000 0.978 138 Q CA 3.101 58.996 55.803 0.153 0.000 0.833 138 Q CB 0.128 29.000 28.738 0.222 0.000 0.895 138 Q HN -0.600 7.584 8.270 0.208 0.211 0.427 139 L N -0.705 120.544 121.223 0.044 0.000 2.081 139 L HA -0.414 3.762 4.340 -0.274 0.000 0.212 139 L C 1.708 178.371 176.870 -0.345 0.000 1.080 139 L CA 3.368 58.038 54.840 -0.284 0.000 0.754 139 L CB -0.378 41.327 42.059 -0.590 0.000 0.893 139 L HN -0.467 7.860 8.230 0.162 0.000 0.433 140 E N -3.011 116.983 120.200 -0.343 0.000 2.085 140 E HA -0.490 3.365 4.350 -0.824 0.000 0.194 140 E C 2.534 179.062 176.600 -0.119 0.000 0.994 140 E CA 3.481 59.642 56.400 -0.399 0.000 0.801 140 E CB -0.770 28.755 29.700 -0.292 0.000 0.743 140 E HN 0.405 8.594 8.360 -0.257 0.017 0.453 141 Q N -1.687 118.058 119.800 -0.092 0.000 2.123 141 Q HA -0.246 4.132 4.340 0.063 0.000 0.199 141 Q C 2.672 178.721 176.000 0.081 0.000 0.966 141 Q CA 2.674 58.493 55.803 0.028 0.000 0.845 141 Q CB -0.060 28.709 28.738 0.052 0.000 0.907 141 Q HN -0.425 7.659 8.270 -0.150 0.097 0.439 142 E N -0.071 120.185 120.200 0.093 0.000 2.077 142 E HA -0.268 4.349 4.350 0.201 -0.147 0.193 142 E C 2.475 179.265 176.600 0.315 0.000 0.989 142 E CA 2.546 59.089 56.400 0.237 0.000 0.800 142 E CB -0.413 29.511 29.700 0.372 0.000 0.746 142 E HN -0.284 8.028 8.360 0.043 0.073 0.452 143 I N -1.336 119.322 120.570 0.147 0.000 2.394 143 I HA -0.335 3.991 4.170 0.260 0.000 0.251 143 I C 2.700 178.910 176.117 0.156 0.000 1.136 143 I CA 3.458 64.831 61.300 0.122 0.000 1.425 143 I CB -0.393 37.511 38.000 -0.160 0.000 1.079 143 I HN 0.336 8.532 8.210 -0.023 0.000 0.425 144 A N -0.059 122.857 122.820 0.161 0.000 2.015 144 A HA -0.226 4.198 4.320 0.173 0.000 0.219 144 A C 1.283 178.940 177.584 0.123 0.000 1.163 144 A CA 2.194 54.326 52.037 0.158 0.000 0.646 144 A CB -0.649 18.440 19.000 0.149 0.000 0.806 144 A HN -0.346 7.762 8.150 0.130 0.120 0.448 145 Q N -4.410 115.471 119.800 0.136 0.000 2.472 145 Q HA -0.108 4.288 4.340 0.094 0.000 0.208 145 Q C -0.209 175.867 176.000 0.126 0.000 0.958 145 Q CA 0.327 56.203 55.803 0.122 0.000 0.932 145 Q CB 0.415 29.228 28.738 0.126 0.000 1.007 145 Q HN -0.634 7.589 8.270 0.155 0.140 0.508 146 N N -5.460 113.320 118.700 0.134 0.000 2.776 146 N HA -0.346 4.525 4.740 0.095 -0.074 0.249 146 N C -0.966 174.594 175.510 0.083 0.000 1.111 146 N CA 1.441 54.549 53.050 0.096 0.000 0.711 146 N CB -1.519 37.001 38.487 0.056 0.000 1.065 146 N HN -0.266 7.982 8.380 0.148 0.220 0.556 147 Y N -1.988 118.302 120.300 -0.017 0.000 2.517 147 Y HA -0.128 4.311 4.550 -0.186 0.000 0.281 147 Y C -1.570 174.090 175.900 -0.400 0.000 1.125 147 Y CA 2.308 60.294 58.100 -0.190 0.000 1.283 147 Y CB 1.263 39.617 38.460 -0.178 0.000 1.042 147 Y HN -0.707 7.709 8.280 0.278 0.031 0.547 148 W N -4.100 117.193 121.300 -0.012 0.000 2.785 148 W HA 0.218 4.777 4.660 -0.168 0.000 0.333 148 W C -1.244 175.207 176.519 -0.115 0.000 1.062 148 W CA -1.709 55.571 57.345 -0.107 0.000 1.233 148 W CB 2.443 31.831 29.460 -0.119 0.000 1.413 148 W HN -0.822 7.476 8.180 0.264 0.040 0.489 149 L N 2.782 124.062 121.223 0.095 0.000 2.268 149 L HA 0.181 4.523 4.340 0.004 0.000 0.289 149 L C -1.192 175.647 176.870 -0.052 0.000 1.064 149 L CA -0.813 54.032 54.840 0.008 0.000 0.824 149 L CB 0.211 42.258 42.059 -0.019 0.000 1.202 149 L HN 0.195 8.486 8.230 0.102 0.000 0.433 150 L N 6.687 127.858 121.223 -0.086 0.000 2.292 150 L HA 0.343 4.659 4.340 -0.247 -0.125 0.284 150 L C -0.980 175.725 176.870 -0.274 0.000 1.065 150 L CA -0.387 54.340 54.840 -0.189 0.000 0.806 150 L CB 1.678 43.657 42.059 -0.133 0.000 1.175 150 L HN 0.231 8.438 8.230 -0.039 0.000 0.431 151 S N 5.436 120.823 115.700 -0.522 0.000 2.541 151 S HA 0.300 4.583 4.470 -0.312 0.000 0.271 151 S C -1.973 172.252 174.600 -0.625 0.000 1.133 151 S CA -1.405 56.438 58.200 -0.594 0.000 0.876 151 S CB 2.101 64.839 63.200 -0.769 0.000 1.105 151 S HN 0.668 8.600 8.310 -0.631 0.000 0.470 152 E N 3.514 123.568 120.200 -0.242 0.000 2.319 152 E HA 0.038 4.360 4.350 -0.046 0.000 0.268 152 E C -1.007 175.714 176.600 0.201 0.000 1.050 152 E CA -0.206 56.171 56.400 -0.038 0.000 0.878 152 E CB 1.243 30.946 29.700 0.005 0.000 1.066 152 E HN 0.371 8.632 8.360 -0.165 0.000 0.406 153 A N 1.934 124.922 122.820 0.279 0.000 2.322 153 A HA 0.258 4.815 4.320 0.395 0.000 0.327 153 A C -1.208 176.449 177.584 0.123 0.000 1.394 153 A CA -1.367 50.849 52.037 0.298 0.000 0.921 153 A CB 0.812 19.977 19.000 0.276 0.000 1.153 153 A HN 0.508 8.774 8.150 0.193 0.000 0.523 154 N N 7.137 125.895 118.700 0.097 0.000 2.895 154 N HA -0.131 4.631 4.740 0.038 0.000 0.277 154 N C -0.056 175.465 175.510 0.019 0.000 1.185 154 N CA -0.224 52.854 53.050 0.046 0.000 1.106 154 N CB -0.904 37.608 38.487 0.042 0.000 1.422 154 N HN 0.534 8.991 8.380 0.127 0.000 0.521 155 N N 4.960 123.661 118.700 0.001 0.000 3.058 155 N HA -0.604 4.106 4.740 -0.049 0.000 0.176 155 N C 0.747 176.248 175.510 -0.016 0.000 0.244 155 N CA 3.763 56.797 53.050 -0.026 0.000 1.993 155 N CB -1.080 37.390 38.487 -0.029 0.000 1.263 155 N HN 0.528 8.861 8.380 0.006 0.051 0.407 156 Q N -0.531 119.266 119.800 -0.005 0.000 2.124 156 Q HA -0.273 4.080 4.340 0.022 0.000 0.202 156 Q C 2.585 178.595 176.000 0.016 0.000 0.977 156 Q CA 2.808 58.617 55.803 0.011 0.000 0.850 156 Q CB 0.084 28.823 28.738 0.003 0.000 0.901 156 Q HN 0.016 8.273 8.270 -0.007 0.009 0.429 157 T N 1.185 115.742 114.554 0.005 0.000 2.803 157 T HA -0.386 3.952 4.350 -0.020 0.000 0.269 157 T C 0.506 175.164 174.700 -0.070 0.000 1.052 157 T CA 4.172 66.264 62.100 -0.014 0.000 1.136 157 T CB -0.347 68.537 68.868 0.026 0.000 0.864 157 T HN -0.058 8.074 8.240 0.011 0.115 0.467 158 L N -2.033 119.164 121.223 -0.044 0.000 2.005 158 L HA -0.264 3.970 4.340 -0.176 0.000 0.207 158 L C 0.095 176.953 176.870 -0.021 0.000 1.072 158 L CA 2.497 57.291 54.840 -0.078 0.000 0.744 158 L CB 0.237 42.253 42.059 -0.072 0.000 0.895 158 L HN -0.689 7.383 8.230 -0.014 0.150 0.433 159 F N -5.119 114.746 119.950 -0.141 0.000 2.680 159 F HA 0.045 4.494 4.527 -0.131 0.000 0.290 159 F C 0.723 176.483 175.800 -0.067 0.000 1.114 159 F CA 0.967 58.900 58.000 -0.111 0.000 1.333 159 F CB 2.167 41.114 39.000 -0.088 0.000 1.091 159 F HN -0.882 7.495 8.300 0.129 0.000 0.606 160 E N -3.062 117.185 120.200 0.079 0.000 2.207 160 E HA 0.137 4.551 4.350 0.106 0.000 0.197 160 E C -0.164 176.438 176.600 0.003 0.000 0.914 160 E CA 0.404 56.860 56.400 0.094 0.000 0.914 160 E CB 2.066 31.866 29.700 0.166 0.000 0.893 160 E HN 0.106 8.418 8.360 0.091 0.103 0.479 161 T N 1.759 116.308 114.554 -0.009 0.000 2.286 161 T HA -0.323 4.021 4.350 -0.010 0.000 0.529 161 T C 0.172 174.867 174.700 -0.009 0.000 0.839 161 T CA 1.431 63.514 62.100 -0.029 0.000 2.802 161 T CB -0.342 68.476 68.868 -0.084 0.000 1.699 161 T HN 0.280 8.397 8.240 0.005 0.126 0.428 162 S N 4.524 120.242 115.700 0.030 0.000 1.811 162 S HA -0.355 4.145 4.470 0.050 0.000 0.234 162 S C -0.783 173.895 174.600 0.130 0.000 0.947 162 S CA 1.984 60.213 58.200 0.049 0.000 1.485 162 S CB -0.412 62.795 63.200 0.011 0.000 1.892 162 S HN 0.555 8.884 8.310 0.031 0.000 0.542 163 Y N -0.069 120.193 120.300 -0.064 0.000 2.823 163 Y HA -0.445 4.133 4.550 -0.091 -0.083 0.067 163 Y C -0.572 175.292 175.900 -0.061 0.000 1.990 163 Y CA 0.971 59.032 58.100 -0.065 0.000 1.150 163 Y CB -1.093 37.346 38.460 -0.036 0.000 1.811 163 Y HN -0.490 7.617 8.280 0.050 0.203 0.302 164 L N 1.358 122.338 121.223 -0.405 0.000 1.315 164 L HA 0.250 4.278 4.340 -0.520 0.000 0.105 164 L C -1.758 174.920 176.870 -0.319 0.000 1.415 164 L CA 0.564 55.182 54.840 -0.369 0.000 1.170 164 L CB 0.849 42.810 42.059 -0.163 0.000 2.420 164 L HN 0.556 8.572 8.230 -0.357 0.000 0.465 165 D N -0.853 119.392 120.400 -0.258 0.000 2.785 165 D HA 0.062 4.481 4.640 -0.370 0.000 0.239 165 D C -1.775 174.364 176.300 -0.268 0.000 1.142 165 D CA 0.094 53.929 54.000 -0.275 0.000 0.734 165 D CB 1.421 42.131 40.800 -0.150 0.000 1.820 165 D HN -0.242 7.997 8.370 -0.217 0.000 0.461 166 R N -0.111 120.109 120.500 -0.467 0.000 2.629 166 R HA 0.357 4.596 4.340 -0.168 0.000 0.266 166 R C -1.943 173.936 176.300 -0.701 0.000 1.051 166 R CA -0.498 55.372 56.100 -0.384 0.000 0.895 166 R CB 2.648 32.780 30.300 -0.280 0.000 1.246 166 R HN 0.262 8.116 8.270 -0.694 0.000 0.459 167 W N 2.846 124.083 121.300 -0.105 0.000 2.998 167 W HA 0.200 4.828 4.660 -0.242 -0.114 0.335 167 W C -0.624 175.833 176.519 -0.103 0.000 1.110 167 W CA -0.441 56.809 57.345 -0.159 0.000 1.230 167 W CB 1.833 31.218 29.460 -0.125 0.000 1.405 167 W HN -0.052 8.176 8.180 0.080 0.000 0.493 168 V N -3.237 116.725 119.914 0.080 0.000 4.032 168 V HA -0.458 3.677 4.120 0.024 0.000 0.231 168 V C 0.602 176.702 176.094 0.009 0.000 0.429 168 V CA 1.093 63.423 62.300 0.050 0.000 0.934 168 V CB -1.409 30.474 31.823 0.100 0.000 1.004 168 V HN 0.463 8.674 8.190 0.034 0.000 1.283 169 E N -0.653 119.515 120.200 -0.054 0.000 2.110 169 E HA -0.314 4.009 4.350 -0.044 0.000 0.193 169 E C 1.450 178.007 176.600 -0.072 0.000 0.988 169 E CA 2.719 59.069 56.400 -0.083 0.000 0.804 169 E CB -0.778 28.820 29.700 -0.169 0.000 0.745 169 E HN 0.040 8.301 8.360 -0.090 0.045 0.458 170 A N -1.379 121.384 122.820 -0.096 0.000 1.933 170 A HA -0.336 3.873 4.320 -0.185 0.000 0.218 170 A C 1.200 178.873 177.584 0.150 0.000 1.175 170 A CA 2.682 54.694 52.037 -0.043 0.000 0.628 170 A CB -0.838 18.130 19.000 -0.054 0.000 0.814 170 A HN 0.365 8.433 8.150 -0.117 0.011 0.444 171 N N -3.266 115.485 118.700 0.085 0.000 2.354 171 N HA -0.223 4.582 4.740 0.110 0.000 0.179 171 N C 1.449 177.003 175.510 0.073 0.000 1.021 171 N CA 2.059 55.160 53.050 0.086 0.000 0.887 171 N CB 0.531 39.052 38.487 0.056 0.000 0.974 171 N HN -0.493 7.796 8.380 0.043 0.117 0.437 172 E N 0.675 120.909 120.200 0.056 0.000 2.230 172 E HA -0.254 4.195 4.350 0.044 -0.073 0.192 172 E C 1.816 178.450 176.600 0.056 0.000 0.987 172 E CA 2.268 58.696 56.400 0.046 0.000 0.841 172 E CB 0.067 29.784 29.700 0.029 0.000 0.783 172 E HN -0.348 7.908 8.360 0.043 0.129 0.481 173 M N -1.073 118.577 119.600 0.083 0.000 2.195 173 M HA -0.267 4.259 4.480 0.076 0.000 0.260 173 M C 1.408 177.774 176.300 0.110 0.000 1.066 173 M CA 3.014 58.384 55.300 0.116 0.000 1.089 173 M CB -0.426 32.313 32.600 0.232 0.000 1.377 173 M HN -0.115 8.198 8.290 0.083 0.027 0.411 174 L N -2.691 118.592 121.223 0.101 0.000 2.202 174 L HA 0.019 4.391 4.340 0.053 0.000 0.205 174 L C 0.256 177.150 176.870 0.041 0.000 1.083 174 L CA 0.546 55.422 54.840 0.060 0.000 0.790 174 L CB 1.413 43.498 42.059 0.044 0.000 0.942 174 L HN -0.612 7.664 8.230 0.115 0.023 0.452 175 G N -2.535 106.290 108.800 0.042 0.000 2.398 175 G HA2 -0.178 3.855 3.960 0.030 0.000 0.221 175 G HA3 -0.178 3.797 3.960 0.025 0.000 0.221 175 G C -0.533 174.383 174.900 0.026 0.000 1.112 175 G CA -0.569 44.549 45.100 0.030 0.000 0.823 175 G HN -0.818 7.431 8.290 0.051 0.071 0.487 176 I N -2.036 118.553 120.570 0.032 0.000 7.356 176 I HA -0.553 3.697 4.170 0.032 -0.060 0.126 176 I C -1.570 174.558 176.117 0.019 0.000 1.829 176 I CA 0.891 62.207 61.300 0.027 0.000 2.068 176 I CB -2.101 35.913 38.000 0.024 0.000 3.620 176 I HN -0.317 7.916 8.210 0.039 0.000 0.179 177 S N 3.319 119.031 115.700 0.019 0.000 2.480 177 S HA 0.228 4.701 4.470 0.005 0.000 0.286 177 S C -0.472 174.127 174.600 -0.002 0.000 1.180 177 S CA -0.394 57.810 58.200 0.007 0.000 1.075 177 S CB 1.559 64.763 63.200 0.007 0.000 0.996 177 S HN -0.536 7.791 8.310 0.028 0.000 0.487 178 G N 3.374 112.168 108.800 -0.010 0.000 3.108 178 G HA2 0.150 4.094 3.960 -0.028 0.000 0.268 178 G HA3 0.150 4.100 3.960 -0.018 0.000 0.268 178 G C -1.506 173.375 174.900 -0.033 0.000 1.361 178 G CA -0.908 44.178 45.100 -0.022 0.000 1.047 178 G HN 0.029 8.315 8.290 -0.008 0.000 0.540 179 I N -2.622 117.922 120.570 -0.043 0.000 9.254 179 I HA -0.372 3.768 4.170 -0.050 0.000 0.126 179 I C -0.549 175.524 176.117 -0.073 0.000 1.868 179 I CA 0.425 61.696 61.300 -0.049 0.000 2.042 179 I CB -0.081 37.901 38.000 -0.030 0.000 3.981 179 I HN 0.076 8.260 8.210 -0.043 0.000 0.171 180 L N -1.952 119.225 121.223 -0.077 0.000 3.573 180 L HA -0.374 3.923 4.340 -0.073 0.000 0.578 180 L C -1.319 175.422 176.870 -0.216 0.000 1.299 180 L CA 0.244 55.023 54.840 -0.101 0.000 0.914 180 L CB -1.333 40.685 42.059 -0.068 0.000 1.563 180 L HN 0.353 8.548 8.230 -0.058 0.000 0.860 181 A N -3.232 119.437 122.820 -0.250 0.000 3.381 181 A HA 0.175 4.047 4.320 -0.746 0.000 0.198 181 A C -2.407 175.010 177.584 -0.279 0.000 1.370 181 A CA 0.340 52.111 52.037 -0.444 0.000 1.349 181 A CB 0.002 18.736 19.000 -0.443 0.000 1.095 181 A HN -0.284 7.769 8.150 -0.162 0.000 0.475 182 P HA 0.312 4.685 4.420 -0.079 0.000 0.270 182 P C -1.229 176.040 177.300 -0.051 0.000 1.551 182 P CA -0.513 62.534 63.100 -0.089 0.000 1.049 182 P CB -0.699 30.956 31.700 -0.074 0.000 1.397 183 A N 3.424 126.228 122.820 -0.026 0.000 2.013 183 A HA 0.174 4.486 4.320 -0.014 0.000 0.204 183 A C 0.473 178.058 177.584 0.001 0.000 1.262 183 A CA 0.347 52.379 52.037 -0.008 0.000 0.800 183 A CB 0.708 19.713 19.000 0.009 0.000 0.909 183 A HN 0.368 8.507 8.150 -0.017 0.000 0.472 184 G N -1.176 107.629 108.800 0.007 0.000 2.179 184 G HA2 -0.350 3.617 3.960 0.012 0.000 0.257 184 G HA3 -0.350 3.612 3.960 0.004 0.000 0.257 184 G C -0.480 174.427 174.900 0.011 0.000 1.010 184 G CA -0.191 44.914 45.100 0.009 0.000 0.736 184 G HN 0.193 8.490 8.290 0.011 0.000 0.513 185 R N -0.409 120.101 120.500 0.016 0.000 2.937 185 R HA 0.140 4.487 4.340 0.011 0.000 0.264 185 R C -0.960 175.350 176.300 0.016 0.000 1.334 185 R CA -1.031 55.077 56.100 0.014 0.000 1.516 185 R CB -0.789 29.520 30.300 0.014 0.000 1.187 185 R HN -0.069 8.179 8.270 0.020 0.034 0.609 186 A N 3.935 126.764 122.820 0.014 0.000 1.859 186 A HA 0.069 4.398 4.320 0.015 0.000 0.212 186 A C -0.094 177.495 177.584 0.010 0.000 1.238 186 A CA 1.101 53.146 52.037 0.013 0.000 0.613 186 A CB 0.426 19.434 19.000 0.014 0.000 0.904 186 A HN 0.023 8.180 8.150 0.013 0.000 0.457 187 L N -1.466 119.762 121.223 0.009 0.000 2.288 187 L HA 0.339 4.683 4.340 0.007 0.000 0.283 187 L C -0.080 176.794 176.870 0.007 0.000 1.072 187 L CA -0.433 54.411 54.840 0.007 0.000 0.862 187 L CB -1.515 40.548 42.059 0.006 0.000 1.245 187 L HN -0.294 7.942 8.230 0.009 0.000 0.432 188 E N 0.000 120.204 120.200 0.007 0.000 2.725 188 E HA 0.000 4.354 4.350 0.006 0.000 0.291 188 E CA 0.000 56.404 56.400 0.007 0.000 0.976 188 E CB 0.000 29.704 29.700 0.007 0.000 0.812 188 E HN 0.000 8.364 8.360 0.007 0.000 0.440