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 2v9u_1_C DATA FIRST_RESID 1 DATA SEQUENCE GLDNELSLVD GQDRTLTVQQ WDTFLNGVFP LDRNRLTREW FHSGRAKYIV DATA SEQUENCE AGPGADEFEG TLELGYQIGX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XGPGIQEVAT FSVDVSGAEG GVAVSNAHGT DATA SEQUENCE VTGAAGGVLL RPFARLIAST GDSVTTYGEP WNMN 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.802 174.900 -0.163 0.000 0.946 1 G CA 0.000 45.159 45.100 0.099 0.000 0.502 2 L N 1.266 122.026 121.223 -0.772 0.000 2.513 2 L HA 0.309 4.649 4.340 -0.000 0.000 0.272 2 L C 0.777 177.351 176.870 -0.494 0.000 1.187 2 L CA 0.515 54.628 54.840 -1.212 0.000 0.895 2 L CB 0.242 41.468 42.059 -1.389 0.000 1.147 2 L HN 0.579 8.809 8.230 -0.000 0.000 0.483 3 D N 2.799 122.994 120.400 -0.341 0.000 2.269 3 D HA 0.053 4.693 4.640 -0.000 0.000 0.220 3 D C -0.134 176.105 176.300 -0.102 0.000 0.962 3 D CA 0.973 54.901 54.000 -0.120 0.000 0.884 3 D CB 0.206 41.014 40.800 0.012 0.000 1.023 3 D HN 0.777 9.147 8.370 -0.000 0.000 0.484 4 N N -0.067 118.565 118.700 -0.113 0.000 2.927 4 N HA 0.340 5.080 4.740 -0.000 0.000 0.248 4 N C -1.571 173.912 175.510 -0.044 0.000 1.443 4 N CA -0.842 52.178 53.050 -0.050 0.000 0.870 4 N CB 1.994 40.495 38.487 0.023 0.000 1.444 4 N HN -0.018 8.362 8.380 -0.000 0.000 0.519 5 E N 0.033 120.230 120.200 -0.004 0.000 2.401 5 E HA 0.599 4.949 4.350 -0.000 0.000 0.280 5 E C -1.841 174.784 176.600 0.042 0.000 1.039 5 E CA -1.084 55.333 56.400 0.028 0.000 0.814 5 E CB 1.754 31.467 29.700 0.022 0.000 1.275 5 E HN 0.511 8.871 8.360 -0.000 0.000 0.448 6 L N 0.862 122.118 121.223 0.055 0.000 2.506 6 L HA 0.543 4.883 4.340 -0.000 0.000 0.257 6 L C -1.415 175.488 176.870 0.055 0.000 0.964 6 L CA -0.723 54.149 54.840 0.054 0.000 0.836 6 L CB 2.666 44.763 42.059 0.063 0.000 1.384 6 L HN 0.749 8.979 8.230 -0.000 0.000 0.410 7 S N 2.550 118.278 115.700 0.046 0.000 2.500 7 S HA 0.739 5.209 4.470 -0.000 0.000 0.301 7 S C -1.224 173.400 174.600 0.040 0.000 1.092 7 S CA -0.419 57.806 58.200 0.042 0.000 1.030 7 S CB 2.196 65.415 63.200 0.033 0.000 1.031 7 S HN 0.394 8.704 8.310 -0.000 0.000 0.483 8 L N 3.531 124.779 121.223 0.042 0.000 2.386 8 L HA 0.698 5.038 4.340 -0.000 0.000 0.271 8 L C -1.288 175.606 176.870 0.039 0.000 0.993 8 L CA -0.540 54.325 54.840 0.042 0.000 0.819 8 L CB 1.825 43.913 42.059 0.049 0.000 1.294 8 L HN 0.435 8.665 8.230 -0.000 0.000 0.414 9 V N 4.769 124.705 119.914 0.036 0.000 2.348 9 V HA 0.319 4.439 4.120 -0.000 0.000 0.270 9 V C -0.208 175.910 176.094 0.040 0.000 1.037 9 V CA -0.642 61.679 62.300 0.035 0.000 0.872 9 V CB 0.679 32.519 31.823 0.028 0.000 1.002 9 V HN 0.897 9.087 8.190 -0.000 0.000 0.464 10 D N 4.343 124.773 120.400 0.050 0.000 2.478 10 D HA 0.209 4.849 4.640 -0.000 0.000 0.274 10 D C 1.520 177.849 176.300 0.048 0.000 1.234 10 D CA -0.017 54.016 54.000 0.056 0.000 1.069 10 D CB 0.732 41.580 40.800 0.080 0.000 1.113 10 D HN 0.389 8.759 8.370 -0.000 0.000 0.571 11 G N -1.640 107.188 108.800 0.047 0.000 2.625 11 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 11 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 11 G C 0.781 175.703 174.900 0.037 0.000 1.132 11 G CA 0.730 45.852 45.100 0.037 0.000 0.782 11 G HN 0.647 8.937 8.290 -0.000 0.000 0.538 12 Q N -0.582 119.245 119.800 0.046 0.000 2.158 12 Q HA 0.305 4.645 4.340 -0.000 0.000 0.306 12 Q C -0.362 175.666 176.000 0.046 0.000 0.878 12 Q CA -0.340 55.489 55.803 0.044 0.000 1.136 12 Q CB 0.293 29.059 28.738 0.047 0.000 1.253 12 Q HN 0.047 8.317 8.270 -0.000 0.000 0.441 13 D N 0.960 121.385 120.400 0.042 0.000 2.945 13 D HA -0.158 4.482 4.640 -0.000 0.000 0.225 13 D C -0.840 175.484 176.300 0.040 0.000 1.158 13 D CA 0.858 54.880 54.000 0.036 0.000 0.805 13 D CB -0.649 40.169 40.800 0.030 0.000 1.098 13 D HN 0.560 8.930 8.370 -0.000 0.000 0.426 14 R N -0.046 120.485 120.500 0.052 0.000 2.349 14 R HA 0.462 4.802 4.340 -0.000 0.000 0.299 14 R C 0.137 176.462 176.300 0.041 0.000 1.027 14 R CA -0.333 55.799 56.100 0.053 0.000 0.958 14 R CB 0.888 31.238 30.300 0.084 0.000 1.047 14 R HN -0.136 8.134 8.270 -0.000 0.000 0.468 15 T N 4.709 119.278 114.554 0.025 0.000 2.875 15 T HA 0.230 4.580 4.350 -0.000 0.000 0.307 15 T C 0.256 174.960 174.700 0.007 0.000 1.013 15 T CA -0.394 61.717 62.100 0.019 0.000 0.970 15 T CB 0.011 68.888 68.868 0.015 0.000 0.986 15 T HN 0.225 8.465 8.240 -0.000 0.000 0.536 16 L N 3.828 125.060 121.223 0.016 0.000 2.281 16 L HA 0.377 4.717 4.340 -0.000 0.000 0.285 16 L C 0.749 177.634 176.870 0.025 0.000 1.074 16 L CA -0.424 54.418 54.840 0.002 0.000 0.817 16 L CB 0.764 42.840 42.059 0.029 0.000 1.168 16 L HN 0.551 8.781 8.230 -0.000 0.000 0.434 17 T N 2.250 116.820 114.554 0.027 0.000 2.945 17 T HA 0.657 5.007 4.350 -0.000 0.000 0.286 17 T C -0.752 174.010 174.700 0.103 0.000 1.025 17 T CA -0.583 61.550 62.100 0.055 0.000 1.039 17 T CB 2.638 71.531 68.868 0.042 0.000 1.068 17 T HN 0.300 8.540 8.240 -0.000 0.000 0.497 18 V N 1.157 121.139 119.914 0.114 0.000 2.969 18 V HA 0.514 4.634 4.120 -0.000 0.000 0.304 18 V C -1.967 174.217 176.094 0.151 0.000 1.192 18 V CA -0.531 61.862 62.300 0.154 0.000 0.962 18 V CB 2.223 34.125 31.823 0.133 0.000 1.045 18 V HN 0.947 9.137 8.190 -0.000 0.000 0.428 19 Q N 3.869 123.797 119.800 0.212 0.000 2.389 19 Q HA 0.559 4.899 4.340 -0.000 0.000 0.277 19 Q C -1.571 174.616 176.000 0.312 0.000 1.082 19 Q CA -0.635 55.322 55.803 0.258 0.000 0.810 19 Q CB 3.160 32.187 28.738 0.480 0.000 1.374 19 Q HN 0.732 9.002 8.270 -0.000 0.000 0.422 20 Q N 1.799 121.724 119.800 0.209 0.000 2.320 20 Q HA 0.393 4.733 4.340 -0.000 0.000 0.268 20 Q C -1.947 174.147 176.000 0.157 0.000 1.023 20 Q CA -0.416 55.512 55.803 0.207 0.000 0.744 20 Q CB 1.092 29.889 28.738 0.098 0.000 1.246 20 Q HN 0.506 8.776 8.270 -0.000 0.000 0.462 21 W N 2.521 123.859 121.300 0.063 0.000 2.689 21 W HA 0.381 5.041 4.660 -0.000 0.000 0.340 21 W C -0.318 176.238 176.519 0.063 0.000 1.060 21 W CA -0.328 57.054 57.345 0.062 0.000 1.218 21 W CB 1.302 30.793 29.460 0.051 0.000 1.410 21 W HN 0.675 8.855 8.180 -0.000 0.000 0.528 22 D N 0.758 121.330 120.400 0.286 0.000 2.746 22 D HA -0.148 4.492 4.640 -0.000 0.000 0.236 22 D C -0.364 176.041 176.300 0.176 0.000 1.129 22 D CA 0.929 55.057 54.000 0.213 0.000 0.691 22 D CB -1.656 39.266 40.800 0.203 0.000 1.077 22 D HN 0.246 8.616 8.370 -0.000 0.000 0.432 23 T N 1.107 115.774 114.554 0.189 0.000 2.723 23 T HA 0.320 4.670 4.350 -0.000 0.000 0.297 23 T C -0.144 174.648 174.700 0.154 0.000 0.925 23 T CA -0.209 61.971 62.100 0.134 0.000 1.030 23 T CB 0.241 69.183 68.868 0.124 0.000 0.905 23 T HN 0.065 8.305 8.240 -0.000 0.000 0.502 24 F N 5.489 125.333 119.950 -0.176 0.000 2.427 24 F HA 0.466 4.993 4.527 0.000 0.000 0.348 24 F C -1.075 174.409 175.800 -0.526 0.000 1.125 24 F CA -1.907 55.907 58.000 -0.309 0.000 0.989 24 F CB 0.929 39.909 39.000 -0.033 0.000 1.165 24 F HN 0.207 8.507 8.300 -0.000 0.000 0.442 25 L N 6.068 126.334 121.223 -1.594 0.000 2.314 25 L HA 0.240 4.580 4.340 -0.000 0.000 0.275 25 L C -0.214 176.111 176.870 -0.908 0.000 1.068 25 L CA -0.420 53.721 54.840 -1.165 0.000 0.894 25 L CB -0.157 41.110 42.059 -1.319 0.000 1.275 25 L HN 0.547 8.777 8.230 -0.000 0.000 0.432 26 N N 1.967 120.204 118.700 -0.771 0.000 2.482 26 N HA 0.262 5.002 4.740 -0.000 0.000 0.242 26 N C 0.358 175.801 175.510 -0.111 0.000 1.100 26 N CA -0.170 52.516 53.050 -0.606 0.000 0.946 26 N CB 0.966 39.271 38.487 -0.303 0.000 1.227 26 N HN 0.590 8.970 8.380 -0.000 0.000 0.508 27 G N 1.872 110.624 108.800 -0.081 0.000 2.406 27 G HA2 0.452 4.412 3.960 -0.000 0.000 0.251 27 G HA3 0.452 4.412 3.960 -0.000 0.000 0.251 27 G C -0.135 174.747 174.900 -0.029 0.000 1.271 27 G CA -0.028 45.066 45.100 -0.009 0.000 0.859 27 G HN 0.610 8.900 8.290 -0.000 0.000 0.540 28 V N -0.476 119.408 119.914 -0.050 0.000 3.206 28 V HA 0.716 4.836 4.120 -0.000 0.000 0.305 28 V C -0.662 175.372 176.094 -0.101 0.000 1.257 28 V CA -1.717 60.540 62.300 -0.072 0.000 1.057 28 V CB 1.363 33.239 31.823 0.088 0.000 1.075 28 V HN 0.468 8.658 8.190 -0.000 0.000 0.443 29 F N 2.092 122.082 119.950 0.066 0.000 2.543 29 F HA 0.494 5.021 4.527 -0.000 0.000 0.375 29 F C -1.888 173.932 175.800 0.033 0.000 1.075 29 F CA -1.495 56.535 58.000 0.049 0.000 1.225 29 F CB -0.092 38.938 39.000 0.050 0.000 1.099 29 F HN 0.335 8.635 8.300 -0.000 0.000 0.561 30 P HA -0.040 4.380 4.420 -0.000 0.000 0.263 30 P C 0.763 178.125 177.300 0.103 0.000 1.195 30 P CA -0.065 63.102 63.100 0.113 0.000 0.762 30 P CB 0.626 32.386 31.700 0.099 0.000 0.799 31 L N 3.495 124.761 121.223 0.072 0.000 2.265 31 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 31 L C 1.241 178.133 176.870 0.038 0.000 1.117 31 L CA 1.841 56.715 54.840 0.057 0.000 0.782 31 L CB -0.675 41.408 42.059 0.040 0.000 0.914 31 L HN 0.337 8.567 8.230 -0.000 0.000 0.441 32 D N -2.582 117.839 120.400 0.035 0.000 2.328 32 D HA -0.059 4.581 4.640 -0.000 0.000 0.221 32 D C 0.777 177.092 176.300 0.025 0.000 1.072 32 D CA -0.128 53.886 54.000 0.024 0.000 0.850 32 D CB -0.044 40.768 40.800 0.020 0.000 0.922 32 D HN -0.003 8.367 8.370 -0.000 0.000 0.516 33 R N -0.782 119.738 120.500 0.034 0.000 3.989 33 R HA -0.224 4.116 4.340 -0.000 0.000 0.335 33 R C -0.404 175.915 176.300 0.031 0.000 1.223 33 R CA 0.565 56.680 56.100 0.025 0.000 0.962 33 R CB -3.198 27.102 30.300 0.000 0.000 1.393 33 R HN 0.411 8.681 8.270 -0.000 0.000 0.554 34 N N 0.664 119.388 118.700 0.040 0.000 2.455 34 N HA 0.182 4.922 4.740 -0.000 0.000 0.280 34 N C 0.950 176.492 175.510 0.054 0.000 1.055 34 N CA -0.310 52.763 53.050 0.038 0.000 0.961 34 N CB 0.740 39.245 38.487 0.030 0.000 1.121 34 N HN 0.113 8.493 8.380 -0.000 0.000 0.476 35 R N 2.329 122.858 120.500 0.050 0.000 2.235 35 R HA 0.090 4.430 4.340 -0.000 0.000 0.213 35 R C 0.461 176.795 176.300 0.058 0.000 1.059 35 R CA 0.737 56.873 56.100 0.061 0.000 0.997 35 R CB 0.152 30.481 30.300 0.047 0.000 0.884 35 R HN 0.469 8.739 8.270 -0.000 0.000 0.462 36 L N -0.385 120.867 121.223 0.048 0.000 2.640 36 L HA 0.140 4.480 4.340 -0.000 0.000 0.230 36 L C 0.097 176.997 176.870 0.050 0.000 1.123 36 L CA 0.734 55.601 54.840 0.045 0.000 0.900 36 L CB 0.854 42.934 42.059 0.035 0.000 1.146 36 L HN -0.131 8.099 8.230 -0.000 0.000 0.484 37 T N 0.763 115.348 114.554 0.053 0.000 2.907 37 T HA 0.537 4.887 4.350 -0.000 0.000 0.284 37 T C 0.153 174.895 174.700 0.070 0.000 1.004 37 T CA -0.638 61.492 62.100 0.050 0.000 1.063 37 T CB 1.649 70.536 68.868 0.032 0.000 0.992 37 T HN -0.129 8.111 8.240 -0.000 0.000 0.483 38 R N 1.952 122.507 120.500 0.091 0.000 2.562 38 R HA 0.563 4.903 4.340 -0.000 0.000 0.298 38 R C -0.461 175.864 176.300 0.042 0.000 0.961 38 R CA -0.713 55.474 56.100 0.144 0.000 0.881 38 R CB 1.665 32.122 30.300 0.262 0.000 1.159 38 R HN 0.724 8.994 8.270 -0.000 0.000 0.450 39 E N 2.444 122.632 120.200 -0.020 0.000 2.256 39 E HA 0.483 4.833 4.350 -0.000 0.000 0.268 39 E C -1.343 175.093 176.600 -0.274 0.000 0.877 39 E CA -0.663 55.525 56.400 -0.353 0.000 0.757 39 E CB 1.571 31.120 29.700 -0.250 0.000 1.183 39 E HN 0.528 8.888 8.360 -0.000 0.000 0.418 40 W N 3.168 124.158 121.300 -0.515 0.000 3.039 40 W HA 0.718 5.378 4.660 -0.000 0.000 0.354 40 W C -1.863 174.174 176.519 -0.803 0.000 1.206 40 W CA -0.978 56.046 57.345 -0.535 0.000 1.134 40 W CB 0.651 29.872 29.460 -0.398 0.000 1.493 40 W HN 0.238 8.418 8.180 -0.000 0.000 0.591 41 F N 1.519 121.548 119.950 0.132 0.000 2.539 41 F HA 0.293 4.820 4.527 -0.000 0.000 0.318 41 F C 0.038 175.903 175.800 0.109 0.000 1.135 41 F CA -1.113 56.943 58.000 0.092 0.000 0.915 41 F CB 1.524 40.565 39.000 0.069 0.000 1.176 41 F HN 0.495 8.795 8.300 -0.000 0.000 0.440 42 H N 2.360 121.557 119.070 0.212 0.000 2.527 42 H HA 0.652 5.208 4.556 -0.000 0.000 0.321 42 H C -1.064 174.308 175.328 0.074 0.000 1.087 42 H CA -0.229 55.835 56.048 0.025 0.000 1.337 42 H CB 1.044 30.825 29.762 0.032 0.000 1.440 42 H HN 0.638 8.918 8.280 -0.000 0.000 0.490 43 S N 2.618 118.217 115.700 -0.169 0.000 2.547 43 S HA 0.659 5.129 4.470 -0.000 0.000 0.281 43 S C -0.540 173.916 174.600 -0.240 0.000 1.118 43 S CA -0.420 57.676 58.200 -0.172 0.000 0.947 43 S CB 2.057 65.299 63.200 0.070 0.000 1.053 43 S HN 0.973 9.283 8.310 -0.000 0.000 0.482 44 G N 1.234 109.921 108.800 -0.189 0.000 2.519 44 G HA2 0.568 4.528 3.960 -0.000 0.000 0.292 44 G HA3 0.568 4.528 3.960 -0.000 0.000 0.292 44 G C -2.036 172.901 174.900 0.062 0.000 1.507 44 G CA -0.856 44.203 45.100 -0.068 0.000 0.806 44 G HN 0.616 8.906 8.290 -0.000 0.000 0.523 45 R N 0.035 120.627 120.500 0.154 0.000 2.534 45 R HA 0.757 5.097 4.340 -0.000 0.000 0.301 45 R C -0.511 175.940 176.300 0.251 0.000 0.961 45 R CA -0.511 55.697 56.100 0.180 0.000 0.871 45 R CB 1.824 32.210 30.300 0.142 0.000 1.170 45 R HN 0.952 9.222 8.270 -0.000 0.000 0.446 46 A N 4.054 127.043 122.820 0.283 0.000 2.343 46 A HA 0.610 4.930 4.320 -0.000 0.000 0.316 46 A C -1.108 176.620 177.584 0.241 0.000 1.104 46 A CA -0.751 51.467 52.037 0.302 0.000 0.768 46 A CB 1.179 20.397 19.000 0.362 0.000 1.213 46 A HN 0.725 8.875 8.150 -0.000 0.000 0.456 47 K N 0.536 121.082 120.400 0.243 0.000 2.443 47 K HA 0.670 4.990 4.320 -0.000 0.000 0.251 47 K C -1.582 175.188 176.600 0.284 0.000 0.972 47 K CA -0.624 55.775 56.287 0.187 0.000 0.833 47 K CB 2.388 34.886 32.500 -0.003 0.000 1.317 47 K HN 0.779 9.029 8.250 -0.000 0.000 0.441 48 Y N -1.386 118.940 120.300 0.043 0.000 2.609 48 Y HA 0.776 5.326 4.550 0.000 0.000 0.342 48 Y C -1.223 174.649 175.900 -0.047 0.000 1.058 48 Y CA -1.331 56.771 58.100 0.004 0.000 1.055 48 Y CB 1.251 39.697 38.460 -0.024 0.000 1.292 48 Y HN 0.437 8.717 8.280 -0.000 0.000 0.476 49 I N 2.733 123.216 120.570 -0.144 0.000 2.656 49 I HA 0.545 4.715 4.170 -0.000 0.000 0.292 49 I C -1.484 174.543 176.117 -0.149 0.000 1.144 49 I CA -1.283 59.870 61.300 -0.244 0.000 1.038 49 I CB 2.433 40.357 38.000 -0.127 0.000 1.244 49 I HN 0.677 8.887 8.210 -0.000 0.000 0.420 50 V N 5.340 125.136 119.914 -0.196 0.000 2.444 50 V HA 0.896 5.016 4.120 -0.000 0.000 0.294 50 V C -0.374 175.673 176.094 -0.078 0.000 1.022 50 V CA -0.036 62.174 62.300 -0.149 0.000 0.850 50 V CB 1.449 33.109 31.823 -0.272 0.000 0.992 50 V HN 0.855 9.045 8.190 -0.000 0.000 0.426 51 A N 4.885 127.682 122.820 -0.039 0.000 2.281 51 A HA 1.062 5.382 4.320 -0.000 0.000 0.329 51 A C 0.601 178.189 177.584 0.007 0.000 1.122 51 A CA 0.125 52.153 52.037 -0.014 0.000 0.850 51 A CB 1.085 20.079 19.000 -0.009 0.000 1.207 51 A HN 2.726 10.876 8.150 -0.000 0.000 0.495 52 G N -0.213 108.596 108.800 0.015 0.000 2.434 52 G HA2 0.124 4.084 3.960 -0.000 0.000 0.671 52 G HA3 0.124 4.084 3.960 -0.000 0.000 0.671 52 G C -3.172 171.749 174.900 0.035 0.000 1.280 52 G CA -0.443 44.672 45.100 0.025 0.000 0.975 52 G HN 0.872 9.162 8.290 -0.000 0.000 0.510 53 P HA 0.370 4.790 4.420 -0.000 0.000 0.266 53 P C 1.049 178.381 177.300 0.052 0.000 1.215 53 P CA 1.818 64.941 63.100 0.038 0.000 0.763 53 P CB 0.528 32.248 31.700 0.035 0.000 0.806 54 G N 3.290 112.121 108.800 0.052 0.000 2.155 54 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.257 54 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.257 54 G C 1.125 176.083 174.900 0.096 0.000 0.983 54 G CA 0.490 45.630 45.100 0.066 0.000 0.676 54 G HN 0.698 8.988 8.290 -0.000 0.000 0.528 55 A N 0.338 123.209 122.820 0.085 0.000 1.927 55 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 55 A C 1.965 179.623 177.584 0.124 0.000 1.185 55 A CA 2.417 54.511 52.037 0.096 0.000 0.639 55 A CB -0.366 18.658 19.000 0.040 0.000 0.820 55 A HN 0.434 8.584 8.150 -0.000 0.000 0.451 56 D N -0.576 119.877 120.400 0.089 0.000 2.371 56 D HA 0.032 4.672 4.640 -0.000 0.000 0.221 56 D C 0.433 176.800 176.300 0.111 0.000 0.986 56 D CA 0.810 54.862 54.000 0.087 0.000 0.899 56 D CB -0.062 40.769 40.800 0.051 0.000 0.902 56 D HN 0.561 8.931 8.370 -0.000 0.000 0.530 57 E N -0.347 119.927 120.200 0.124 0.000 2.609 57 E HA 0.144 4.494 4.350 -0.000 0.000 0.208 57 E C -0.509 176.177 176.600 0.142 0.000 1.013 57 E CA -0.473 55.992 56.400 0.109 0.000 1.093 57 E CB -0.140 29.599 29.700 0.066 0.000 1.129 57 E HN 0.109 8.469 8.360 -0.000 0.000 0.450 58 F N 1.852 121.837 119.950 0.058 0.000 2.427 58 F HA 0.273 4.800 4.527 0.000 0.000 0.352 58 F C 0.118 175.949 175.800 0.051 0.000 1.100 58 F CA -0.313 57.726 58.000 0.065 0.000 1.191 58 F CB 0.667 39.734 39.000 0.112 0.000 1.128 58 F HN -0.150 8.150 8.300 -0.000 0.000 0.533 59 E N 4.455 124.213 120.200 -0.735 0.000 2.199 59 E HA 0.669 5.019 4.350 -0.000 0.000 0.269 59 E C -0.161 175.784 176.600 -1.092 0.000 0.899 59 E CA -0.721 55.283 56.400 -0.661 0.000 0.772 59 E CB 1.758 31.269 29.700 -0.314 0.000 1.155 59 E HN 0.947 9.307 8.360 -0.000 0.000 0.408 60 G N 0.791 109.180 108.800 -0.685 0.000 2.427 60 G HA2 0.362 4.322 3.960 -0.000 0.000 0.306 60 G HA3 0.362 4.322 3.960 -0.000 0.000 0.306 60 G C -1.282 173.527 174.900 -0.153 0.000 1.280 60 G CA -0.528 44.321 45.100 -0.419 0.000 0.837 60 G HN 0.300 8.590 8.290 -0.000 0.000 0.482 61 T N 0.415 114.931 114.554 -0.063 0.000 2.824 61 T HA 0.583 4.933 4.350 -0.000 0.000 0.282 61 T C -1.067 173.643 174.700 0.017 0.000 0.993 61 T CA -0.303 61.791 62.100 -0.009 0.000 0.967 61 T CB 1.769 70.644 68.868 0.012 0.000 0.960 61 T HN 0.609 8.849 8.240 -0.000 0.000 0.441 62 L N 3.141 124.396 121.223 0.052 0.000 2.307 62 L HA 0.633 4.973 4.340 -0.000 0.000 0.284 62 L C -0.468 176.562 176.870 0.265 0.000 1.023 62 L CA -0.048 54.867 54.840 0.124 0.000 0.810 62 L CB 0.993 43.135 42.059 0.138 0.000 1.231 62 L HN 0.649 8.879 8.230 -0.000 0.000 0.423 63 E N 4.250 124.565 120.200 0.191 0.000 2.340 63 E HA 0.596 4.946 4.350 -0.000 0.000 0.273 63 E C -1.778 174.669 176.600 -0.256 0.000 0.891 63 E CA -0.864 55.560 56.400 0.041 0.000 0.757 63 E CB 2.871 32.643 29.700 0.120 0.000 1.231 63 E HN 0.438 8.798 8.360 -0.000 0.000 0.439 64 L N 1.093 121.789 121.223 -0.878 0.000 2.422 64 L HA 0.837 5.177 4.340 -0.000 0.000 0.264 64 L C -0.318 176.074 176.870 -0.796 0.000 0.984 64 L CA 0.063 54.368 54.840 -0.892 0.000 0.819 64 L CB 2.013 43.453 42.059 -1.032 0.000 1.330 64 L HN 0.729 8.959 8.230 -0.000 0.000 0.410 65 G N 1.820 110.033 108.800 -0.977 0.000 2.356 65 G HA2 0.384 4.344 3.960 -0.000 0.000 0.281 65 G HA3 0.384 4.344 3.960 -0.000 0.000 0.281 65 G C -2.018 172.371 174.900 -0.851 0.000 1.246 65 G CA 0.140 44.779 45.100 -0.768 0.000 0.889 65 G HN 0.844 9.134 8.290 -0.000 0.000 0.486 66 Y N -2.083 117.908 120.300 -0.515 0.000 2.689 66 Y HA 0.822 5.372 4.550 0.000 0.000 0.333 66 Y C -0.707 175.303 175.900 0.183 0.000 1.208 66 Y CA -1.370 56.649 58.100 -0.136 0.000 1.055 66 Y CB 1.051 39.307 38.460 -0.339 0.000 1.304 66 Y HN 0.544 8.824 8.280 -0.000 0.000 0.455 67 Q N 1.523 121.506 119.800 0.305 0.000 2.245 67 Q HA 0.618 4.958 4.340 -0.000 0.000 0.256 67 Q C -1.091 174.998 176.000 0.149 0.000 0.942 67 Q CA -0.580 55.319 55.803 0.159 0.000 0.896 67 Q CB 2.256 31.075 28.738 0.135 0.000 1.272 67 Q HN 0.557 8.827 8.270 -0.000 0.000 0.442 68 I N 1.442 122.066 120.570 0.091 0.000 2.359 68 I HA 0.633 4.803 4.170 -0.000 0.000 0.294 68 I C 0.498 176.637 176.117 0.036 0.000 0.987 68 I CA -0.533 60.812 61.300 0.074 0.000 1.225 68 I CB 1.432 39.506 38.000 0.123 0.000 1.366 68 I HN 0.619 8.829 8.210 -0.000 0.000 0.466 123 P HA 0.371 4.791 4.420 -0.000 0.000 0.259 123 P C 0.666 177.977 177.300 0.019 0.000 1.307 123 P CA 1.748 64.863 63.100 0.024 0.000 0.768 123 P CB 0.049 31.768 31.700 0.032 0.000 1.199 124 G N -0.061 108.748 108.800 0.015 0.000 2.359 124 G HA2 0.128 4.088 3.960 -0.000 0.000 0.303 124 G HA3 0.128 4.088 3.960 -0.000 0.000 0.303 124 G C -1.754 173.152 174.900 0.010 0.000 1.293 124 G CA -0.919 44.187 45.100 0.009 0.000 0.964 124 G HN -0.000 8.290 8.290 -0.000 0.000 0.531 125 I N 0.953 121.525 120.570 0.003 0.000 2.321 125 I HA 0.538 4.708 4.170 -0.000 0.000 0.291 125 I C 0.295 176.414 176.117 0.003 0.000 0.998 125 I CA -0.367 60.934 61.300 0.003 0.000 1.227 125 I CB 0.868 38.862 38.000 -0.010 0.000 1.368 125 I HN 0.733 8.943 8.210 -0.000 0.000 0.466 126 Q N 4.621 124.427 119.800 0.010 0.000 2.377 126 Q HA 0.438 4.778 4.340 -0.000 0.000 0.271 126 Q C -1.132 174.864 176.000 -0.006 0.000 1.077 126 Q CA -0.676 55.128 55.803 0.002 0.000 0.820 126 Q CB 2.881 31.624 28.738 0.010 0.000 1.347 126 Q HN 0.689 8.959 8.270 -0.000 0.000 0.444 127 E N 1.910 122.099 120.200 -0.018 0.000 2.175 127 E HA 0.449 4.799 4.350 -0.000 0.000 0.278 127 E C -1.587 174.971 176.600 -0.071 0.000 0.969 127 E CA -0.659 55.733 56.400 -0.014 0.000 0.796 127 E CB 1.648 31.345 29.700 -0.006 0.000 1.104 127 E HN 0.378 8.738 8.360 -0.000 0.000 0.395 128 V N 3.290 123.078 119.914 -0.210 0.000 2.409 128 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 128 V C -0.267 175.680 176.094 -0.245 0.000 1.020 128 V CA -0.722 61.393 62.300 -0.307 0.000 0.848 128 V CB 1.397 32.856 31.823 -0.608 0.000 0.990 128 V HN 0.800 8.990 8.190 -0.000 0.000 0.430 129 A N 3.405 126.179 122.820 -0.078 0.000 2.391 129 A HA 0.458 4.778 4.320 -0.000 0.000 0.316 129 A C 1.250 178.797 177.584 -0.062 0.000 1.381 129 A CA -0.152 51.855 52.037 -0.051 0.000 0.998 129 A CB 0.220 19.245 19.000 0.041 0.000 1.147 129 A HN 0.857 9.007 8.150 -0.000 0.000 0.545 130 T N 2.088 116.585 114.554 -0.095 0.000 2.720 130 T HA 0.026 4.376 4.350 -0.000 0.000 0.268 130 T C 0.422 175.203 174.700 0.135 0.000 1.037 130 T CA 2.150 64.293 62.100 0.071 0.000 1.144 130 T CB -0.552 68.445 68.868 0.214 0.000 0.864 130 T HN 0.810 9.050 8.240 -0.000 0.000 0.444 131 F N -1.024 118.961 119.950 0.059 0.000 2.643 131 F HA 0.777 5.303 4.527 -0.000 0.000 0.314 131 F C -0.770 175.059 175.800 0.048 0.000 1.096 131 F CA -1.404 56.624 58.000 0.047 0.000 0.953 131 F CB 1.876 40.899 39.000 0.038 0.000 1.345 131 F HN -0.196 8.104 8.300 -0.000 0.000 0.468 132 S N 1.834 117.787 115.700 0.421 0.000 2.626 132 S HA 0.703 5.173 4.470 -0.000 0.000 0.275 132 S C -1.631 173.103 174.600 0.222 0.000 1.175 132 S CA -0.215 58.158 58.200 0.289 0.000 0.982 132 S CB 1.138 64.427 63.200 0.148 0.000 1.093 132 S HN 1.811 10.121 8.310 -0.000 0.000 0.472 133 V N 1.147 121.178 119.914 0.194 0.000 3.012 133 V HA 0.694 4.814 4.120 -0.000 0.000 0.307 133 V C -1.047 175.077 176.094 0.050 0.000 1.166 133 V CA -1.066 61.289 62.300 0.091 0.000 0.974 133 V CB 1.834 33.674 31.823 0.028 0.000 1.040 133 V HN 0.684 8.874 8.190 -0.000 0.000 0.428 134 D N 2.156 122.568 120.400 0.019 0.000 2.372 134 D HA 0.557 5.197 4.640 -0.000 0.000 0.243 134 D C 0.081 176.385 176.300 0.007 0.000 1.121 134 D CA 0.448 54.447 54.000 -0.003 0.000 0.898 134 D CB 1.698 42.491 40.800 -0.012 0.000 1.202 134 D HN 1.186 9.556 8.370 -0.000 0.000 0.428 135 V N -1.194 118.719 119.914 -0.001 0.000 2.888 135 V HA 0.817 4.937 4.120 -0.000 0.000 0.309 135 V C -0.474 175.680 176.094 0.100 0.000 1.114 135 V CA -0.920 61.420 62.300 0.065 0.000 0.940 135 V CB 1.801 33.650 31.823 0.043 0.000 1.021 135 V HN 0.577 8.767 8.190 -0.000 0.000 0.426 136 S N 1.884 117.686 115.700 0.170 0.000 2.570 136 S HA 1.037 5.507 4.470 -0.000 0.000 0.286 136 S C 0.124 174.889 174.600 0.274 0.000 1.099 136 S CA 0.049 58.362 58.200 0.188 0.000 0.913 136 S CB 1.400 64.650 63.200 0.083 0.000 1.085 136 S HN 2.984 11.294 8.310 -0.000 0.000 0.480 137 G N 0.469 109.447 108.800 0.297 0.000 2.655 137 G HA2 0.384 4.344 3.960 -0.000 0.000 0.680 137 G HA3 0.384 4.344 3.960 -0.000 0.000 0.680 137 G C 0.381 175.451 174.900 0.283 0.000 1.302 137 G CA -0.284 44.958 45.100 0.237 0.000 0.872 137 G HN 1.854 10.144 8.290 -0.000 0.000 0.540 138 A N -0.546 122.329 122.820 0.092 0.000 2.267 138 A HA 0.603 4.923 4.320 -0.000 0.000 0.213 138 A C 0.848 178.267 177.584 -0.276 0.000 1.192 138 A CA 1.788 53.803 52.037 -0.037 0.000 0.851 138 A CB 0.090 19.071 19.000 -0.032 0.000 0.881 138 A HN 0.655 8.805 8.150 -0.000 0.000 0.494 139 E N -1.919 118.095 120.200 -0.309 0.000 2.416 139 E HA 0.590 4.940 4.350 -0.000 0.000 0.273 139 E C -0.518 175.779 176.600 -0.506 0.000 0.935 139 E CA -0.453 55.610 56.400 -0.561 0.000 0.784 139 E CB 2.406 31.925 29.700 -0.301 0.000 1.301 139 E HN 0.385 8.745 8.360 -0.000 0.000 0.454 140 G N -0.545 107.919 108.800 -0.561 0.000 2.358 140 G HA2 0.500 4.460 3.960 -0.000 0.000 0.301 140 G HA3 0.500 4.460 3.960 -0.000 0.000 0.301 140 G C -1.247 173.670 174.900 0.029 0.000 1.539 140 G CA -0.136 44.911 45.100 -0.089 0.000 0.893 140 G HN 0.699 8.989 8.290 -0.000 0.000 0.636 141 G N -1.891 106.955 108.800 0.077 0.000 2.579 141 G HA2 0.883 4.843 3.960 -0.000 0.000 0.292 141 G HA3 0.883 4.843 3.960 -0.000 0.000 0.292 141 G C -1.434 173.465 174.900 -0.003 0.000 1.484 141 G CA 0.399 45.538 45.100 0.067 0.000 0.813 141 G HN 2.108 10.399 8.290 -0.000 0.000 0.515 142 V N -0.738 119.171 119.914 -0.007 0.000 3.012 142 V HA 0.965 5.084 4.120 -0.000 0.000 0.307 142 V C -0.749 175.301 176.094 -0.074 0.000 1.166 142 V CA 0.008 62.203 62.300 -0.175 0.000 0.974 142 V CB 1.660 33.198 31.823 -0.474 0.000 1.040 142 V HN 2.316 10.506 8.190 -0.000 0.000 0.428 143 A N 4.055 126.814 122.820 -0.101 0.000 2.401 143 A HA 0.947 5.267 4.320 -0.000 0.000 0.310 143 A C -1.107 176.491 177.584 0.024 0.000 1.075 143 A CA -0.410 51.642 52.037 0.025 0.000 0.746 143 A CB 2.017 21.011 19.000 -0.010 0.000 1.277 143 A HN 1.990 10.140 8.150 -0.000 0.000 0.425 144 V N 1.207 121.177 119.914 0.095 0.000 2.709 144 V HA 0.781 4.901 4.120 -0.000 0.000 0.308 144 V C -0.494 175.605 176.094 0.008 0.000 1.062 144 V CA -0.134 62.211 62.300 0.075 0.000 0.901 144 V CB 2.140 34.075 31.823 0.186 0.000 1.003 144 V HN 1.135 9.325 8.190 -0.000 0.000 0.425 145 S N 5.496 121.206 115.700 0.016 0.000 2.605 145 S HA 0.529 4.999 4.470 -0.000 0.000 0.308 145 S C 0.097 174.711 174.600 0.024 0.000 1.113 145 S CA -0.344 57.863 58.200 0.012 0.000 1.049 145 S CB 0.372 63.574 63.200 0.003 0.000 1.001 145 S HN 1.005 9.315 8.310 -0.000 0.000 0.480 146 N N 1.593 120.322 118.700 0.049 0.000 2.780 146 N HA -0.145 4.595 4.740 -0.000 0.000 0.248 146 N C -0.148 175.465 175.510 0.171 0.000 1.102 146 N CA 0.912 53.991 53.050 0.049 0.000 0.697 146 N CB -1.489 36.913 38.487 -0.141 0.000 1.028 146 N HN 0.857 9.237 8.380 -0.000 0.000 0.554 147 A N 0.472 123.430 122.820 0.230 0.000 2.520 147 A HA 0.226 4.546 4.320 -0.000 0.000 0.245 147 A C 0.386 178.236 177.584 0.443 0.000 1.072 147 A CA 0.224 52.453 52.037 0.320 0.000 0.761 147 A CB 0.079 19.245 19.000 0.277 0.000 1.004 147 A HN 0.471 8.621 8.150 -0.000 0.000 0.499 148 H N 1.210 120.439 119.070 0.265 0.000 2.517 148 H HA 0.581 5.137 4.556 -0.000 0.000 0.317 148 H C 0.312 175.497 175.328 -0.238 0.000 1.080 148 H CA 0.543 56.601 56.048 0.016 0.000 1.301 148 H CB 1.053 30.885 29.762 0.116 0.000 1.425 148 H HN 0.759 9.039 8.280 -0.000 0.000 0.471 149 G N 2.508 110.457 108.800 -1.418 0.000 2.519 149 G HA2 0.529 4.489 3.960 -0.000 0.000 0.307 149 G HA3 0.529 4.489 3.960 -0.000 0.000 0.307 149 G C -1.235 172.403 174.900 -2.103 0.000 1.266 149 G CA -0.581 43.631 45.100 -1.480 0.000 0.970 149 G HN 0.748 9.038 8.290 -0.000 0.000 0.481 150 T N -1.474 112.273 114.554 -1.345 0.000 2.830 150 T HA 0.599 4.949 4.350 -0.000 0.000 0.322 150 T C -1.925 172.578 174.700 -0.328 0.000 1.501 150 T CA -0.267 61.273 62.100 -0.932 0.000 1.036 150 T CB 1.810 70.371 68.868 -0.511 0.000 1.379 150 T HN 1.388 9.628 8.240 -0.000 0.000 0.493 151 V N 1.983 121.846 119.914 -0.085 0.000 3.167 151 V HA 0.860 4.980 4.120 -0.000 0.000 0.293 151 V C -0.983 175.150 176.094 0.064 0.000 1.379 151 V CA 0.004 62.346 62.300 0.071 0.000 1.019 151 V CB 2.366 34.321 31.823 0.221 0.000 1.115 151 V HN 1.149 9.339 8.190 -0.000 0.000 0.442 152 T N 2.357 116.942 114.554 0.052 0.000 2.864 152 T HA 0.680 5.030 4.350 -0.000 0.000 0.299 152 T C 0.416 175.140 174.700 0.040 0.000 1.166 152 T CA 0.685 62.810 62.100 0.042 0.000 1.007 152 T CB 1.425 70.308 68.868 0.025 0.000 1.219 152 T HN 2.480 10.720 8.240 -0.000 0.000 0.506 153 G N 1.062 109.883 108.800 0.035 0.000 2.141 153 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.242 153 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.242 153 G C 0.360 175.280 174.900 0.033 0.000 0.982 153 G CA 0.156 45.274 45.100 0.030 0.000 0.662 153 G HN 1.326 9.616 8.290 -0.000 0.000 0.527 154 A N 0.360 123.205 122.820 0.042 0.000 2.770 154 A HA 0.659 4.979 4.320 -0.000 0.000 0.292 154 A C 1.113 178.717 177.584 0.035 0.000 1.604 154 A CA 1.158 53.222 52.037 0.045 0.000 1.271 154 A CB -0.382 18.656 19.000 0.062 0.000 1.075 154 A HN 2.038 10.188 8.150 -0.000 0.000 0.573 155 A N 3.008 125.844 122.820 0.027 0.000 2.671 155 A HA 0.533 4.853 4.320 -0.000 0.000 0.306 155 A C 1.181 178.776 177.584 0.018 0.000 1.473 155 A CA 0.354 52.404 52.037 0.021 0.000 1.155 155 A CB -1.066 17.945 19.000 0.017 0.000 1.123 155 A HN 2.510 10.660 8.150 -0.000 0.000 0.545 156 G N 1.871 110.683 108.800 0.020 0.000 2.515 156 G HA2 0.404 4.364 3.960 -0.000 0.000 0.208 156 G HA3 0.404 4.364 3.960 -0.000 0.000 0.208 156 G C 1.001 175.908 174.900 0.013 0.000 0.737 156 G CA 0.365 45.475 45.100 0.016 0.000 0.987 156 G HN 2.945 11.235 8.290 -0.000 0.000 0.307 157 G N -1.103 107.706 108.800 0.015 0.000 2.728 157 G HA2 0.313 4.273 3.960 -0.000 0.000 0.686 157 G HA3 0.313 4.273 3.960 -0.000 0.000 0.686 157 G C -0.347 174.555 174.900 0.003 0.000 1.337 157 G CA -0.031 45.072 45.100 0.006 0.000 0.861 157 G HN 1.961 10.251 8.290 -0.000 0.000 0.597 158 V N 3.038 122.944 119.914 -0.013 0.000 2.686 158 V HA 0.645 4.765 4.120 -0.000 0.000 0.306 158 V C 0.483 176.529 176.094 -0.080 0.000 1.065 158 V CA -0.825 61.455 62.300 -0.034 0.000 0.894 158 V CB 1.796 33.609 31.823 -0.016 0.000 1.004 158 V HN 0.796 8.986 8.190 -0.000 0.000 0.424 159 L N 4.947 126.125 121.223 -0.076 0.000 2.331 159 L HA 0.650 4.990 4.340 -0.000 0.000 0.275 159 L C -1.197 175.602 176.870 -0.119 0.000 1.022 159 L CA -0.867 53.925 54.840 -0.080 0.000 0.812 159 L CB 1.791 43.826 42.059 -0.040 0.000 1.257 159 L HN 0.333 8.563 8.230 -0.000 0.000 0.435 160 L N 3.234 124.378 121.223 -0.132 0.000 2.372 160 L HA 0.407 4.747 4.340 -0.000 0.000 0.273 160 L C -0.191 176.662 176.870 -0.029 0.000 0.989 160 L CA -0.165 54.570 54.840 -0.176 0.000 0.841 160 L CB 1.496 43.238 42.059 -0.528 0.000 1.225 160 L HN 0.499 8.729 8.230 -0.000 0.000 0.414 161 R N 5.943 126.485 120.500 0.071 0.000 2.204 161 R HA 0.465 4.805 4.340 -0.000 0.000 0.341 161 R C -2.451 174.000 176.300 0.252 0.000 1.035 161 R CA -1.413 54.786 56.100 0.166 0.000 0.887 161 R CB 1.007 31.407 30.300 0.166 0.000 1.114 161 R HN 0.284 8.554 8.270 -0.000 0.000 0.473 162 P HA 0.199 4.619 4.420 -0.000 0.000 0.288 162 P C -1.252 176.138 177.300 0.150 0.000 1.267 162 P CA -0.254 62.880 63.100 0.057 0.000 0.815 162 P CB 0.757 32.398 31.700 -0.099 0.000 0.989 163 F N 0.152 120.071 119.950 -0.052 0.000 2.620 163 F HA 0.892 5.419 4.527 -0.000 0.000 0.320 163 F C -1.231 174.466 175.800 -0.171 0.000 1.069 163 F CA -1.760 56.080 58.000 -0.267 0.000 0.953 163 F CB 1.102 39.739 39.000 -0.605 0.000 1.322 163 F HN 0.387 8.687 8.300 -0.000 0.000 0.479 164 A N 2.140 124.968 122.820 0.014 0.000 2.342 164 A HA 0.851 5.171 4.320 -0.000 0.000 0.323 164 A C -0.982 176.685 177.584 0.137 0.000 1.125 164 A CA -0.905 51.165 52.037 0.055 0.000 0.785 164 A CB 1.430 20.477 19.000 0.078 0.000 1.221 164 A HN 0.959 9.109 8.150 -0.000 0.000 0.463 165 R N 1.299 121.902 120.500 0.171 0.000 2.686 165 R HA 0.685 5.025 4.340 -0.000 0.000 0.283 165 R C -2.086 174.274 176.300 0.101 0.000 0.978 165 R CA -0.650 55.520 56.100 0.116 0.000 0.897 165 R CB 1.639 32.003 30.300 0.106 0.000 1.192 165 R HN 0.659 8.929 8.270 -0.000 0.000 0.457 166 L N 5.463 126.734 121.223 0.079 0.000 2.376 166 L HA 0.577 4.917 4.340 -0.000 0.000 0.275 166 L C -1.594 175.326 176.870 0.085 0.000 0.987 166 L CA -0.291 54.592 54.840 0.072 0.000 0.828 166 L CB 1.623 43.725 42.059 0.072 0.000 1.249 166 L HN 0.628 8.858 8.230 -0.000 0.000 0.409 167 I N 4.674 125.291 120.570 0.078 0.000 2.404 167 I HA 0.713 4.883 4.170 -0.000 0.000 0.293 167 I C 0.146 176.305 176.117 0.070 0.000 0.992 167 I CA -0.607 60.732 61.300 0.064 0.000 1.149 167 I CB 1.964 39.979 38.000 0.024 0.000 1.315 167 I HN 0.774 8.984 8.210 -0.000 0.000 0.446 168 A N 3.352 126.217 122.820 0.076 0.000 2.310 168 A HA 0.412 4.732 4.320 -0.000 0.000 0.299 168 A C 1.077 178.597 177.584 -0.107 0.000 1.147 168 A CA -0.249 51.768 52.037 -0.033 0.000 0.818 168 A CB 0.706 19.785 19.000 0.132 0.000 1.096 168 A HN 0.874 9.024 8.150 -0.000 0.000 0.495 169 S N 0.831 116.398 115.700 -0.222 0.000 2.528 169 S HA -0.144 4.326 4.470 -0.000 0.000 0.244 169 S C 1.129 175.675 174.600 -0.090 0.000 0.982 169 S CA 1.659 59.768 58.200 -0.152 0.000 0.953 169 S CB -0.862 62.223 63.200 -0.192 0.000 0.754 169 S HN 1.056 9.367 8.310 -0.000 0.000 0.529 170 T N -2.915 111.598 114.554 -0.068 0.000 3.144 170 T HA 0.568 4.918 4.350 -0.000 0.000 0.249 170 T C 1.546 176.243 174.700 -0.006 0.000 1.089 170 T CA 0.310 62.396 62.100 -0.024 0.000 0.989 170 T CB 0.027 68.895 68.868 0.000 0.000 0.992 170 T HN 0.980 9.220 8.240 -0.000 0.000 0.540 171 G N 1.522 110.317 108.800 -0.009 0.000 2.234 171 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.235 171 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.235 171 G C -0.391 174.519 174.900 0.017 0.000 0.997 171 G CA -0.188 44.913 45.100 0.001 0.000 0.623 171 G HN 0.621 8.911 8.290 -0.000 0.000 0.514 172 D N 0.833 121.254 120.400 0.036 0.000 2.339 172 D HA 0.556 5.196 4.640 -0.000 0.000 0.245 172 D C 0.516 176.854 176.300 0.062 0.000 1.115 172 D CA 0.816 54.848 54.000 0.053 0.000 0.917 172 D CB 1.479 42.324 40.800 0.075 0.000 1.192 172 D HN 0.760 9.130 8.370 -0.000 0.000 0.428 173 S N -0.121 115.612 115.700 0.056 0.000 2.566 173 S HA 0.545 5.015 4.470 -0.000 0.000 0.273 173 S C -1.272 173.359 174.600 0.051 0.000 1.157 173 S CA -0.968 57.263 58.200 0.051 0.000 0.938 173 S CB 1.374 64.590 63.200 0.026 0.000 1.087 173 S HN 0.361 8.671 8.310 -0.000 0.000 0.474 174 V N 2.201 122.149 119.914 0.056 0.000 2.680 174 V HA 0.900 5.020 4.120 -0.000 0.000 0.309 174 V C -0.627 175.489 176.094 0.036 0.000 1.052 174 V CA 0.148 62.479 62.300 0.052 0.000 0.908 174 V CB 2.086 33.946 31.823 0.060 0.000 1.001 174 V HN 1.234 9.424 8.190 -0.000 0.000 0.431 175 T N 3.659 118.228 114.554 0.025 0.000 2.928 175 T HA 0.504 4.854 4.350 -0.000 0.000 0.296 175 T C -0.706 173.953 174.700 -0.069 0.000 1.000 175 T CA -0.076 61.988 62.100 -0.060 0.000 0.989 175 T CB 1.372 70.145 68.868 -0.159 0.000 1.005 175 T HN 1.012 9.252 8.240 -0.000 0.000 0.442 176 T N 3.877 118.360 114.554 -0.118 0.000 2.902 176 T HA 0.723 5.073 4.350 -0.000 0.000 0.283 176 T C -1.502 173.079 174.700 -0.197 0.000 1.009 176 T CA -0.287 61.788 62.100 -0.042 0.000 1.051 176 T CB 0.452 69.338 68.868 0.029 0.000 0.999 176 T HN 0.562 8.802 8.240 -0.000 0.000 0.474 177 Y N 1.107 121.472 120.300 0.107 0.000 2.477 177 Y HA 0.617 5.167 4.550 -0.000 0.000 0.347 177 Y C 0.831 176.789 175.900 0.096 0.000 0.981 177 Y CA -0.840 57.334 58.100 0.123 0.000 1.033 177 Y CB 2.231 40.750 38.460 0.099 0.000 1.245 177 Y HN 0.917 9.197 8.280 -0.000 0.000 0.455 178 G N 0.720 109.674 108.800 0.256 0.000 2.535 178 G HA2 0.440 4.400 3.960 -0.000 0.000 0.303 178 G HA3 0.440 4.400 3.960 -0.000 0.000 0.303 178 G C -1.041 173.974 174.900 0.192 0.000 1.237 178 G CA -0.799 44.420 45.100 0.199 0.000 0.986 178 G HN 0.538 8.828 8.290 -0.000 0.000 0.494 179 E N 1.503 121.788 120.200 0.142 0.000 2.366 179 E HA 0.238 4.588 4.350 -0.000 0.000 0.266 179 E C -1.935 174.755 176.600 0.150 0.000 1.015 179 E CA -1.018 55.437 56.400 0.093 0.000 0.906 179 E CB 0.434 30.141 29.700 0.012 0.000 0.979 179 E HN 0.152 8.512 8.360 -0.000 0.000 0.443 180 P HA -0.148 4.272 4.420 -0.000 0.000 0.263 180 P C -0.811 176.572 177.300 0.137 0.000 1.168 180 P CA 0.388 63.566 63.100 0.130 0.000 0.759 180 P CB 0.296 32.022 31.700 0.043 0.000 0.782 181 W N 2.085 123.300 121.300 -0.141 0.000 2.449 181 W HA 0.331 4.991 4.660 -0.000 0.000 0.331 181 W C 0.715 177.122 176.519 -0.188 0.000 1.119 181 W CA -0.040 57.205 57.345 -0.166 0.000 1.240 181 W CB 0.381 29.702 29.460 -0.232 0.000 1.251 181 W HN 0.231 8.411 8.180 -0.000 0.000 0.576 182 N N 2.533 121.247 118.700 0.022 0.000 2.446 182 N HA 0.199 4.939 4.740 -0.000 0.000 0.265 182 N C 0.047 175.534 175.510 -0.037 0.000 0.975 182 N CA -0.311 52.719 53.050 -0.033 0.000 0.928 182 N CB 0.919 39.376 38.487 -0.050 0.000 1.160 182 N HN 0.215 8.595 8.380 -0.000 0.000 0.495 183 M N 1.720 121.278 119.600 -0.070 0.000 2.608 183 M HA 0.189 4.669 4.480 -0.000 0.000 0.224 183 M C -0.130 176.155 176.300 -0.024 0.000 1.204 183 M CA 0.052 55.312 55.300 -0.067 0.000 0.984 183 M CB -2.024 30.503 32.600 -0.122 0.000 1.691 183 M HN 0.573 8.863 8.290 -0.000 0.000 0.469 184 N N 0.000 118.686 118.700 -0.024 0.000 1.763 184 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 184 N CA 0.000 53.042 53.050 -0.013 0.000 0.885 184 N CB 0.000 38.487 38.487 -0.000 0.000 1.341 184 N HN 0.000 8.380 8.380 -0.000 0.000 0.667