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 1agy_1_A DATA FIRST_RESID 17 DATA SEQUENCE RTTRDDLING NSAScRDVIF IYARGSTETG NLGTLGPSIA SNLESAFGKD DATA SEQUENCE GVWIQGVGGA YRATLGDNAL PRGTSSAAIR EMLGLFQQAN TKcPDATLIA DATA SEQUENCE GGYSQGAALA AASIEDLDSA IRDKIAGTVL FGYTKNLQNR GRIPNYPADR DATA SEQUENCE TKVFcNTGDL VcTGSLIVAA PHLAYGPDAR GPAPEFLIEK VRAVRGS 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 17 R HA 0.000 4.341 4.340 0.002 0.000 0.208 17 R C 0.000 176.302 176.300 0.003 0.000 0.893 17 R CA 0.000 56.099 56.100 -0.001 0.000 0.921 17 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 18 T N -2.743 111.814 114.554 0.005 0.000 3.129 18 T HA 0.135 4.494 4.350 0.015 0.000 0.251 18 T C -1.159 173.556 174.700 0.024 0.000 1.117 18 T CA 0.847 62.956 62.100 0.015 0.000 1.034 18 T CB 0.364 69.241 68.868 0.015 0.000 0.968 18 T HN -0.207 8.035 8.240 0.003 0.000 0.526 19 T N 4.463 119.027 114.554 0.016 0.000 2.809 19 T HA 0.484 5.077 4.350 0.025 -0.228 0.284 19 T C -0.843 173.864 174.700 0.012 0.000 0.992 19 T CA -0.362 61.746 62.100 0.015 0.000 0.957 19 T CB 1.435 70.305 68.868 0.003 0.000 0.942 19 T HN -0.493 7.708 8.240 0.010 0.045 0.439 20 R N 5.965 126.476 120.500 0.018 0.000 2.538 20 R HA 0.329 4.666 4.340 -0.006 0.000 0.292 20 R C -2.146 174.148 176.300 -0.010 0.000 1.008 20 R CA -1.587 54.519 56.100 0.010 0.000 0.896 20 R CB 3.312 33.638 30.300 0.043 0.000 1.187 20 R HN 0.578 9.213 8.270 0.029 -0.347 0.440 21 D N 4.419 124.790 120.400 -0.049 0.000 2.957 21 D HA 0.294 5.043 4.640 -0.066 -0.149 0.352 21 D C -0.836 175.368 176.300 -0.161 0.000 1.352 21 D CA 0.063 54.014 54.000 -0.082 0.000 0.831 21 D CB 1.783 42.536 40.800 -0.077 0.000 1.147 21 D HN 0.450 8.785 8.370 -0.059 0.000 0.467 22 D N 1.942 122.234 120.400 -0.180 0.000 2.219 22 D HA -0.187 4.190 4.640 -0.439 0.000 0.205 22 D C 1.555 177.412 176.300 -0.739 0.000 0.970 22 D CA 3.345 57.096 54.000 -0.415 0.000 0.851 22 D CB -0.008 40.615 40.800 -0.294 0.000 0.943 22 D HN 0.216 8.534 8.370 -0.086 0.000 0.488 23 L N -0.445 120.568 121.223 -0.350 0.000 2.044 23 L HA -0.247 3.870 4.340 -0.372 0.000 0.205 23 L C 0.852 177.562 176.870 -0.266 0.000 1.075 23 L CA 2.678 57.373 54.840 -0.242 0.000 0.747 23 L CB -0.168 41.919 42.059 0.047 0.000 0.903 23 L HN -0.568 7.747 8.230 -0.173 -0.188 0.435 24 I N -1.083 119.375 120.570 -0.187 0.000 2.286 24 I HA -0.519 3.784 4.170 -0.096 -0.190 0.248 24 I C 2.387 178.396 176.117 -0.179 0.000 1.115 24 I CA 3.539 64.755 61.300 -0.139 0.000 1.392 24 I CB -0.225 37.717 38.000 -0.097 0.000 1.065 24 I HN -0.243 8.173 8.210 -0.156 -0.300 0.418 25 N N -3.032 115.513 118.700 -0.257 0.000 2.424 25 N HA -0.033 4.612 4.740 -0.159 0.000 0.178 25 N C 0.666 175.989 175.510 -0.312 0.000 1.060 25 N CA 0.371 53.278 53.050 -0.237 0.000 0.901 25 N CB 0.159 38.516 38.487 -0.217 0.000 0.979 25 N HN -0.256 7.951 8.380 -0.287 0.000 0.451 26 G N -0.033 108.423 108.800 -0.573 0.000 2.483 26 G HA2 -0.049 3.547 3.960 -0.607 0.000 0.248 26 G HA3 -0.049 2.910 3.960 -1.773 -0.062 0.248 26 G C -1.662 173.122 174.900 -0.192 0.000 1.248 26 G CA -0.576 44.056 45.100 -0.779 0.000 0.838 26 G HN -0.719 7.011 8.290 -0.654 0.167 0.566 27 N N 2.034 120.784 118.700 0.083 0.000 2.458 27 N HA 0.041 4.834 4.740 0.088 0.000 0.270 27 N C 0.987 176.667 175.510 0.284 0.000 1.102 27 N CA 0.219 53.364 53.050 0.158 0.000 0.967 27 N CB 1.659 40.221 38.487 0.126 0.000 1.078 27 N HN 0.241 8.700 8.380 0.130 0.000 0.471 28 S N 6.147 121.965 115.700 0.197 0.000 2.481 28 S HA -0.191 4.431 4.470 0.253 0.000 0.231 28 S C 1.028 175.698 174.600 0.117 0.000 0.996 28 S CA 2.646 60.954 58.200 0.180 0.000 0.942 28 S CB 0.097 63.366 63.200 0.114 0.000 0.768 28 S HN 0.746 9.135 8.310 0.132 0.000 0.520 29 A N 0.914 123.796 122.820 0.102 0.000 2.208 29 A HA 0.116 4.465 4.320 0.048 0.000 0.209 29 A C -0.337 177.286 177.584 0.064 0.000 1.161 29 A CA 1.125 53.202 52.037 0.067 0.000 0.782 29 A CB -0.021 19.011 19.000 0.054 0.000 0.816 29 A HN 0.013 8.186 8.150 0.110 0.043 0.477 30 S N -3.218 112.545 115.700 0.106 0.000 2.526 30 S HA 0.182 4.674 4.470 0.036 0.000 0.220 30 S C -0.702 173.941 174.600 0.073 0.000 1.159 30 S CA -1.227 57.027 58.200 0.091 0.000 1.196 30 S CB -0.051 63.227 63.200 0.131 0.000 1.225 30 S HN -0.454 7.745 8.310 0.167 0.211 0.432 31 c N 1.292 119.853 118.600 -0.065 0.000 2.597 31 c HA -0.200 3.942 4.570 -0.713 0.000 0.412 31 c C 1.402 175.111 174.090 -0.635 0.000 1.348 31 c CA 1.917 57.986 56.329 -0.433 0.000 1.769 31 c CB -0.693 41.640 42.510 -0.295 0.000 2.641 31 c HN -0.143 8.070 8.230 -0.028 0.000 0.612 32 R N 2.941 122.664 120.500 -1.294 0.000 2.738 32 R HA -0.049 4.069 4.340 -0.582 -0.128 0.268 32 R C -0.470 175.503 176.300 -0.545 0.000 1.062 32 R CA -0.298 55.253 56.100 -0.915 0.000 1.158 32 R CB 0.312 29.854 30.300 -1.264 0.000 1.046 32 R HN 0.270 7.060 8.270 -2.466 0.000 0.493 33 D N -1.062 119.123 120.400 -0.358 0.000 2.277 33 D HA -0.008 4.489 4.640 -0.238 0.000 0.208 33 D C -0.391 175.734 176.300 -0.293 0.000 0.962 33 D CA 1.815 55.649 54.000 -0.275 0.000 0.865 33 D CB 1.359 42.026 40.800 -0.221 0.000 0.939 33 D HN -0.171 8.010 8.370 -0.315 0.000 0.510 34 V N -1.898 117.817 119.914 -0.331 0.000 2.638 34 V HA 0.722 4.940 4.120 -0.233 -0.237 0.306 34 V C -1.885 174.134 176.094 -0.126 0.000 1.052 34 V CA -1.149 60.975 62.300 -0.293 0.000 0.885 34 V CB 3.568 35.050 31.823 -0.569 0.000 0.999 34 V HN -0.653 7.298 8.190 -0.347 0.031 0.424 35 I N 5.104 125.682 120.570 0.013 0.000 2.447 35 I HA 0.518 5.010 4.170 0.232 -0.182 0.287 35 I C -2.131 174.142 176.117 0.260 0.000 1.023 35 I CA -1.330 60.069 61.300 0.165 0.000 1.083 35 I CB 3.028 41.130 38.000 0.169 0.000 1.245 35 I HN 0.370 8.587 8.210 0.012 0.000 0.434 36 F N 8.983 129.010 119.950 0.127 0.000 2.411 36 F HA 0.750 5.604 4.527 0.145 -0.240 0.352 36 F C -2.381 173.494 175.800 0.125 0.000 1.123 36 F CA -3.220 54.864 58.000 0.140 0.000 1.044 36 F CB 3.090 42.182 39.000 0.154 0.000 1.135 36 F HN 0.823 9.369 8.300 0.411 0.000 0.461 37 I N 8.263 128.633 120.570 -0.334 0.000 2.389 37 I HA 0.788 5.013 4.170 -0.330 -0.253 0.288 37 I C -2.263 173.498 176.117 -0.593 0.000 0.999 37 I CA -1.578 59.463 61.300 -0.432 0.000 1.129 37 I CB 2.104 39.796 38.000 -0.514 0.000 1.288 37 I HN 0.399 8.490 8.210 -0.198 0.000 0.444 38 Y N 9.212 129.149 120.300 -0.605 0.000 2.442 38 Y HA 0.684 5.202 4.550 -0.440 -0.232 0.344 38 Y C -2.833 172.958 175.900 -0.181 0.000 0.976 38 Y CA -2.297 55.520 58.100 -0.473 0.000 1.040 38 Y CB 4.732 42.877 38.460 -0.524 0.000 1.228 38 Y HN 0.403 8.524 8.280 -0.265 0.000 0.451 39 A N 6.727 129.050 122.820 -0.828 0.000 2.303 39 A HA 0.565 4.790 4.320 -0.160 0.000 0.320 39 A C -1.884 175.403 177.584 -0.495 0.000 1.192 39 A CA -1.957 49.805 52.037 -0.459 0.000 0.821 39 A CB 3.039 21.798 19.000 -0.402 0.000 1.188 39 A HN 0.619 8.133 8.150 -1.059 0.000 0.492 40 R N 3.169 123.690 120.500 0.035 0.000 2.652 40 R HA 0.000 4.520 4.340 0.300 0.000 0.271 40 R C -0.218 176.209 176.300 0.212 0.000 1.129 40 R CA -0.792 55.436 56.100 0.214 0.000 1.200 40 R CB 1.088 31.537 30.300 0.248 0.000 1.146 40 R HN 0.348 8.748 8.270 0.218 0.000 0.581 41 G N -2.412 106.517 108.800 0.215 0.000 2.580 41 G HA2 0.044 4.090 3.960 -0.095 0.000 0.278 41 G HA3 0.044 3.923 3.960 -0.135 0.000 0.278 41 G C -0.779 174.131 174.900 0.017 0.000 1.212 41 G CA -1.618 43.476 45.100 -0.009 0.000 0.939 41 G HN 0.210 9.084 8.290 0.372 -0.361 0.513 42 S N 0.009 115.695 115.700 -0.023 0.000 2.537 42 S HA -0.344 4.261 4.470 -0.035 -0.156 0.286 42 S C 0.353 174.950 174.600 -0.004 0.000 1.299 42 S CA 2.118 60.310 58.200 -0.013 0.000 1.067 42 S CB -0.248 62.954 63.200 0.003 0.000 0.864 42 S HN 0.238 8.503 8.310 -0.075 0.000 0.494 43 T N 1.341 115.873 114.554 -0.036 0.000 6.386 43 T HA -0.393 3.929 4.350 -0.045 0.000 0.278 43 T C -0.750 173.946 174.700 -0.007 0.000 2.163 43 T CA 2.134 64.221 62.100 -0.023 0.000 3.541 43 T CB -1.132 67.737 68.868 0.003 0.000 1.383 43 T HN 0.897 8.986 8.240 -0.076 0.105 1.186 44 E N 0.188 120.389 120.200 0.003 0.000 2.349 44 E HA 0.098 4.476 4.350 0.046 0.000 0.262 44 E C -0.302 176.301 176.600 0.005 0.000 1.088 44 E CA -0.203 56.218 56.400 0.036 0.000 0.899 44 E CB 1.287 31.048 29.700 0.102 0.000 1.044 44 E HN -0.565 7.735 8.360 -0.014 0.052 0.420 45 T N -1.973 112.592 114.554 0.019 0.000 2.902 45 T HA 0.096 4.438 4.350 -0.012 0.000 0.280 45 T C 0.161 174.869 174.700 0.014 0.000 0.992 45 T CA -0.806 61.297 62.100 0.004 0.000 1.015 45 T CB 1.038 69.909 68.868 0.006 0.000 1.044 45 T HN 0.050 8.310 8.240 0.034 0.000 0.520 46 G N 1.438 110.240 108.800 0.003 0.000 2.566 46 G HA2 -0.443 3.518 3.960 0.001 0.000 0.280 46 G HA3 -0.443 3.710 3.960 0.020 -0.181 0.280 46 G C -0.481 174.431 174.900 0.019 0.000 1.225 46 G CA 1.324 46.431 45.100 0.011 0.000 0.966 46 G HN 0.117 8.404 8.290 -0.006 0.000 0.560 47 N N -0.017 118.710 118.700 0.046 0.000 2.171 47 N HA 0.081 4.862 4.740 0.069 0.000 0.212 47 N C -0.170 175.434 175.510 0.157 0.000 1.184 47 N CA 0.152 53.248 53.050 0.078 0.000 0.888 47 N CB 1.530 40.052 38.487 0.058 0.000 1.038 47 N HN 0.054 8.462 8.380 0.046 0.000 0.517 48 L N -2.368 118.947 121.223 0.154 0.000 2.672 48 L HA 0.234 4.833 4.340 0.431 0.000 0.236 48 L C -0.080 176.926 176.870 0.227 0.000 1.092 48 L CA -0.021 54.954 54.840 0.224 0.000 0.887 48 L CB 1.000 43.107 42.059 0.080 0.000 1.168 48 L HN -0.108 8.180 8.230 0.097 0.000 0.502 49 G N -1.915 106.973 108.800 0.146 0.000 2.564 49 G HA2 -0.465 3.656 3.960 0.089 0.000 0.273 49 G HA3 -0.465 3.823 3.960 0.197 -0.211 0.273 49 G C -0.373 174.563 174.900 0.061 0.000 1.242 49 G CA 0.908 46.084 45.100 0.128 0.000 0.951 49 G HN -0.210 8.144 8.290 0.107 0.000 0.564 50 T N 0.524 115.106 114.554 0.046 0.000 2.978 50 T HA -0.157 4.172 4.350 -0.035 0.000 0.262 50 T C 1.135 175.756 174.700 -0.133 0.000 1.063 50 T CA 2.938 65.012 62.100 -0.043 0.000 1.140 50 T CB 0.482 69.316 68.868 -0.056 0.000 0.886 50 T HN -0.317 8.372 8.240 0.105 -0.387 0.470 51 L N -0.388 120.721 121.223 -0.189 0.000 2.470 51 L HA 0.279 4.420 4.340 -0.332 0.000 0.219 51 L C 1.908 178.563 176.870 -0.358 0.000 1.071 51 L CA 0.788 55.422 54.840 -0.344 0.000 0.850 51 L CB -0.430 41.263 42.059 -0.610 0.000 1.040 51 L HN -0.355 7.819 8.230 -0.093 0.000 0.475 52 G N -0.145 108.395 108.800 -0.434 0.000 2.440 52 G HA2 -0.196 3.169 3.960 -0.992 0.000 0.218 52 G HA3 -0.196 3.478 3.960 -0.643 -0.099 0.218 52 G C -1.887 172.866 174.900 -0.245 0.000 1.154 52 G CA 3.277 47.994 45.100 -0.638 0.000 0.767 52 G HN -0.241 7.906 8.290 -0.239 0.000 0.552 53 P HA -0.135 4.260 4.420 -0.042 0.000 0.217 53 P C 1.630 178.881 177.300 -0.080 0.000 1.150 53 P CA 2.495 65.550 63.100 -0.074 0.000 0.832 53 P CB -0.119 31.549 31.700 -0.053 0.000 0.787 54 S N -1.619 114.012 115.700 -0.114 0.000 2.383 54 S HA -0.203 4.218 4.470 -0.082 0.000 0.227 54 S C 2.014 176.554 174.600 -0.100 0.000 1.026 54 S CA 4.050 62.187 58.200 -0.105 0.000 0.981 54 S CB -0.201 62.921 63.200 -0.129 0.000 0.818 54 S HN -0.731 7.494 8.310 -0.141 0.000 0.472 55 I N 2.217 122.714 120.570 -0.121 0.000 2.252 55 I HA -0.398 3.713 4.170 -0.097 0.000 0.245 55 I C 1.712 177.746 176.117 -0.138 0.000 1.102 55 I CA 4.004 65.231 61.300 -0.122 0.000 1.385 55 I CB -0.151 37.783 38.000 -0.110 0.000 1.064 55 I HN -0.739 7.376 8.210 -0.159 0.000 0.414 56 A N -0.845 121.930 122.820 -0.074 0.000 1.902 56 A HA -0.357 3.953 4.320 -0.016 0.000 0.217 56 A C 1.946 179.522 177.584 -0.013 0.000 1.181 56 A CA 3.537 55.569 52.037 -0.009 0.000 0.623 56 A CB -0.770 18.265 19.000 0.058 0.000 0.818 56 A HN 0.173 8.284 8.150 -0.064 0.000 0.443 57 S N -1.936 113.747 115.700 -0.028 0.000 2.382 57 S HA -0.302 4.330 4.470 -0.007 -0.166 0.228 57 S C 2.093 176.668 174.600 -0.042 0.000 1.027 57 S CA 3.091 61.276 58.200 -0.025 0.000 0.991 57 S CB -0.260 62.923 63.200 -0.030 0.000 0.823 57 S HN -0.055 8.232 8.310 -0.039 0.000 0.469 58 N N 2.959 121.622 118.700 -0.063 0.000 2.270 58 N HA -0.095 4.597 4.740 -0.081 0.000 0.181 58 N C 2.125 177.568 175.510 -0.113 0.000 1.016 58 N CA 2.856 55.856 53.050 -0.083 0.000 0.870 58 N CB 0.213 38.652 38.487 -0.080 0.000 0.979 58 N HN -0.805 7.534 8.380 -0.068 0.000 0.431 59 L N -0.353 120.817 121.223 -0.088 0.000 2.109 59 L HA -0.334 3.933 4.340 -0.121 0.000 0.207 59 L C 1.749 178.630 176.870 0.018 0.000 1.086 59 L CA 3.591 58.410 54.840 -0.035 0.000 0.760 59 L CB -0.414 41.666 42.059 0.035 0.000 0.910 59 L HN -0.027 8.067 8.230 -0.086 0.085 0.437 60 E N -0.675 119.543 120.200 0.029 0.000 2.106 60 E HA -0.302 4.118 4.350 0.117 0.000 0.192 60 E C 2.768 179.364 176.600 -0.007 0.000 0.984 60 E CA 3.065 59.497 56.400 0.053 0.000 0.806 60 E CB -0.002 29.729 29.700 0.052 0.000 0.750 60 E HN 0.049 8.415 8.360 0.011 0.000 0.458 61 S N -0.269 115.396 115.700 -0.059 0.000 2.423 61 S HA -0.220 4.219 4.470 -0.052 0.000 0.231 61 S C 1.384 175.892 174.600 -0.153 0.000 1.014 61 S CA 2.738 60.888 58.200 -0.083 0.000 0.965 61 S CB -0.107 63.047 63.200 -0.077 0.000 0.785 61 S HN -0.216 8.056 8.310 -0.064 0.000 0.495 62 A N -0.111 122.534 122.820 -0.292 0.000 1.903 62 A HA -0.057 4.040 4.320 -0.371 0.000 0.213 62 A C 0.959 178.194 177.584 -0.581 0.000 1.185 62 A CA 2.628 54.344 52.037 -0.536 0.000 0.628 62 A CB 0.542 19.009 19.000 -0.888 0.000 0.830 62 A HN -0.477 7.389 8.150 -0.278 0.117 0.446 63 F N -5.554 114.384 119.950 -0.020 0.000 2.704 63 F HA 0.148 4.661 4.527 -0.023 0.000 0.304 63 F C -0.329 175.465 175.800 -0.011 0.000 1.094 63 F CA -0.911 57.077 58.000 -0.020 0.000 1.275 63 F CB 1.538 40.524 39.000 -0.023 0.000 1.073 63 F HN -0.131 8.010 8.300 -0.266 0.000 0.586 64 G N -0.587 108.275 108.800 0.103 0.000 2.705 64 G HA2 -0.382 3.648 3.960 0.045 0.000 0.686 64 G HA3 -0.382 3.623 3.960 0.075 0.000 0.686 64 G C -0.241 174.723 174.900 0.107 0.000 1.285 64 G CA -0.568 44.580 45.100 0.080 0.000 0.800 64 G HN -0.328 7.895 8.290 0.036 0.090 0.611 65 K N 0.812 121.265 120.400 0.088 0.000 2.160 65 K HA -0.283 4.110 4.320 0.121 0.000 0.206 65 K C 0.734 177.422 176.600 0.146 0.000 1.047 65 K CA 2.494 58.847 56.287 0.110 0.000 0.930 65 K CB -0.252 32.300 32.500 0.087 0.000 0.720 65 K HN 0.445 8.735 8.250 0.065 0.000 0.450 66 D N -4.252 116.220 120.400 0.119 0.000 2.350 66 D HA 0.056 4.815 4.640 0.199 0.000 0.213 66 D C 0.665 176.991 176.300 0.045 0.000 1.031 66 D CA 0.884 54.956 54.000 0.121 0.000 0.861 66 D CB -0.174 40.679 40.800 0.087 0.000 0.926 66 D HN -0.009 8.394 8.370 0.093 0.023 0.520 67 G N -1.620 107.214 108.800 0.057 0.000 2.683 67 G HA2 0.010 3.933 3.960 -0.061 0.000 0.213 67 G HA3 0.010 4.273 3.960 0.097 -0.245 0.213 67 G C -1.594 173.274 174.900 -0.053 0.000 1.142 67 G CA 0.530 45.635 45.100 0.009 0.000 0.793 67 G HN -0.036 8.138 8.290 0.105 0.179 0.534 68 V N -1.446 118.498 119.914 0.050 0.000 2.760 68 V HA 0.698 5.020 4.120 -0.067 -0.242 0.309 68 V C -2.025 174.222 176.094 0.256 0.000 1.077 68 V CA -2.540 59.805 62.300 0.075 0.000 0.910 68 V CB 2.207 34.145 31.823 0.191 0.000 1.008 68 V HN -0.855 7.412 8.190 0.128 0.000 0.424 69 W N 7.204 128.548 121.300 0.073 0.000 2.478 69 W HA 0.247 5.106 4.660 0.074 -0.155 0.318 69 W C -1.390 175.206 176.519 0.128 0.000 1.062 69 W CA -3.635 53.758 57.345 0.079 0.000 1.210 69 W CB 2.037 31.528 29.460 0.052 0.000 1.325 69 W HN 0.397 8.704 8.180 0.212 0.000 0.496 70 I N 2.410 123.180 120.570 0.333 0.000 2.354 70 I HA 0.351 4.879 4.170 0.395 -0.121 0.292 70 I C -1.660 174.551 176.117 0.156 0.000 0.989 70 I CA -2.426 59.047 61.300 0.288 0.000 1.188 70 I CB 0.441 38.591 38.000 0.249 0.000 1.342 70 I HN 0.569 9.303 8.210 0.272 -0.361 0.457 71 Q N 8.198 128.059 119.800 0.102 0.000 2.275 71 Q HA 0.522 5.029 4.340 0.006 -0.163 0.266 71 Q C -1.325 174.661 176.000 -0.024 0.000 1.002 71 Q CA -1.923 53.888 55.803 0.013 0.000 0.761 71 Q CB 3.732 32.461 28.738 -0.014 0.000 1.255 71 Q HN 0.742 9.072 8.270 0.101 0.000 0.446 72 G N 4.210 113.019 108.800 0.015 0.000 2.507 72 G HA2 0.418 4.615 3.960 0.070 0.000 0.271 72 G HA3 0.418 4.708 3.960 0.087 -0.277 0.271 72 G C -1.488 173.410 174.900 -0.004 0.000 1.189 72 G CA -1.171 43.956 45.100 0.045 0.000 0.859 72 G HN 0.339 8.642 8.290 0.021 0.000 0.542 73 V N 0.763 120.682 119.914 0.008 0.000 2.353 73 V HA 0.007 4.102 4.120 -0.042 0.000 0.264 73 V C -0.617 175.554 176.094 0.128 0.000 1.049 73 V CA 0.566 62.875 62.300 0.014 0.000 0.896 73 V CB -0.502 31.288 31.823 -0.055 0.000 1.025 73 V HN -0.207 7.998 8.190 0.025 0.000 0.475 74 G N 5.548 114.387 108.800 0.065 0.000 3.310 74 G HA2 0.190 4.184 3.960 0.057 0.000 0.176 74 G HA3 0.190 4.164 3.960 0.023 0.000 0.176 74 G C -0.536 174.397 174.900 0.055 0.000 1.307 74 G CA -1.012 44.119 45.100 0.053 0.000 0.935 74 G HN -0.478 7.826 8.290 0.023 0.000 0.628 75 G N 1.217 110.030 108.800 0.021 0.000 2.634 75 G HA2 -0.426 3.537 3.960 0.006 0.000 0.318 75 G HA3 -0.426 3.851 3.960 0.019 -0.306 0.318 75 G C 0.351 175.268 174.900 0.028 0.000 1.207 75 G CA 0.983 46.094 45.100 0.018 0.000 0.987 75 G HN -0.196 8.098 8.290 0.007 0.000 0.547 76 A N 3.197 126.044 122.820 0.045 0.000 2.206 76 A HA 0.000 4.339 4.320 0.031 0.000 0.211 76 A C -0.289 177.358 177.584 0.105 0.000 1.158 76 A CA 0.443 52.512 52.037 0.053 0.000 0.761 76 A CB 0.367 19.394 19.000 0.046 0.000 0.801 76 A HN -0.284 8.230 8.150 0.041 -0.340 0.473 77 Y N 1.394 121.679 120.300 -0.025 0.000 2.556 77 Y HA 0.021 4.557 4.550 -0.024 0.000 0.352 77 Y C -0.778 175.110 175.900 -0.020 0.000 1.006 77 Y CA -1.840 56.244 58.100 -0.027 0.000 1.277 77 Y CB -0.530 37.906 38.460 -0.040 0.000 1.136 77 Y HN -0.441 7.883 8.280 0.173 0.060 0.523 78 R N 7.598 127.959 120.500 -0.231 0.000 2.393 78 R HA 0.029 4.209 4.340 -0.267 0.000 0.244 78 R C -1.163 174.885 176.300 -0.421 0.000 0.920 78 R CA -0.698 55.234 56.100 -0.280 0.000 1.076 78 R CB -0.078 30.154 30.300 -0.115 0.000 1.119 78 R HN -0.304 7.939 8.270 -0.045 0.000 0.524 79 A N -1.760 120.608 122.820 -0.752 0.000 2.739 79 A HA -0.274 3.757 4.320 -0.481 0.000 0.296 79 A C -1.685 175.790 177.584 -0.182 0.000 1.488 79 A CA 0.452 52.143 52.037 -0.577 0.000 0.746 79 A CB -1.881 16.756 19.000 -0.606 0.000 1.047 79 A HN 0.130 7.603 8.150 -1.030 0.059 0.477 80 T N 0.331 114.832 114.554 -0.088 0.000 2.780 80 T HA 0.066 4.385 4.350 -0.052 0.000 0.294 80 T C 0.861 175.557 174.700 -0.008 0.000 0.949 80 T CA 0.529 62.605 62.100 -0.041 0.000 1.074 80 T CB 0.755 69.608 68.868 -0.025 0.000 0.910 80 T HN -0.259 7.938 8.240 -0.072 0.000 0.501 81 L N 9.762 130.980 121.223 -0.009 0.000 2.043 81 L HA -0.194 4.149 4.340 0.005 0.000 0.212 81 L C 1.838 178.710 176.870 0.004 0.000 1.075 81 L CA 3.186 58.026 54.840 0.001 0.000 0.752 81 L CB -0.326 41.733 42.059 -0.000 0.000 0.891 81 L HN 0.703 8.923 8.230 -0.017 0.000 0.432 82 G N -4.953 103.848 108.800 0.002 0.000 2.470 82 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.220 82 G HA3 -0.290 3.671 3.960 0.001 0.000 0.220 82 G C 1.129 176.034 174.900 0.007 0.000 1.121 82 G CA 1.805 46.907 45.100 0.002 0.000 0.766 82 G HN 0.268 8.557 8.290 -0.000 0.000 0.553 83 D N 1.476 121.887 120.400 0.018 0.000 2.371 83 D HA -0.044 4.608 4.640 0.020 0.000 0.221 83 D C 2.165 178.480 176.300 0.025 0.000 0.986 83 D CA 1.945 55.961 54.000 0.028 0.000 0.899 83 D CB -0.617 40.214 40.800 0.052 0.000 0.902 83 D HN -0.265 7.858 8.370 0.020 0.258 0.530 84 N N 0.548 119.258 118.700 0.017 0.000 2.272 84 N HA -0.269 4.657 4.740 0.011 -0.180 0.185 84 N C 1.247 176.753 175.510 -0.007 0.000 1.014 84 N CA 2.746 55.799 53.050 0.004 0.000 0.870 84 N CB -0.089 38.392 38.487 -0.010 0.000 0.975 84 N HN -0.221 8.122 8.380 0.015 0.046 0.433 85 A N -1.821 120.996 122.820 -0.005 0.000 2.218 85 A HA 0.086 4.397 4.320 -0.015 0.000 0.209 85 A C 0.024 177.604 177.584 -0.007 0.000 1.168 85 A CA -0.296 51.736 52.037 -0.009 0.000 0.804 85 A CB 0.191 19.186 19.000 -0.008 0.000 0.834 85 A HN -0.656 7.453 8.150 -0.001 0.041 0.482 86 L N -1.168 120.054 121.223 -0.001 0.000 2.472 86 L HA 0.060 4.399 4.340 -0.001 0.000 0.260 86 L C -0.641 176.226 176.870 -0.005 0.000 1.209 86 L CA -1.560 53.279 54.840 -0.000 0.000 0.817 86 L CB -1.095 40.968 42.059 0.006 0.000 1.106 86 L HN -0.807 7.213 8.230 0.003 0.212 0.479 87 P HA -0.187 4.226 4.420 -0.011 0.000 0.216 87 P C 0.737 178.030 177.300 -0.010 0.000 1.153 87 P CA 2.810 65.905 63.100 -0.008 0.000 0.858 87 P CB 0.164 31.860 31.700 -0.006 0.000 0.789 88 R N -6.215 114.281 120.500 -0.007 0.000 2.317 88 R HA 0.042 4.377 4.340 -0.007 0.000 0.208 88 R C 0.410 176.707 176.300 -0.005 0.000 0.914 88 R CA -0.378 55.718 56.100 -0.006 0.000 1.060 88 R CB -0.143 30.154 30.300 -0.004 0.000 1.015 88 R HN 0.034 8.301 8.270 -0.004 0.000 0.498 89 G N -1.522 107.274 108.800 -0.006 0.000 2.159 89 G HA2 -0.279 4.085 3.960 -0.007 0.000 0.256 89 G HA3 -0.279 3.679 3.960 -0.005 0.000 0.256 89 G C -1.636 173.270 174.900 0.009 0.000 0.977 89 G CA 0.413 45.512 45.100 -0.003 0.000 0.652 89 G HN 0.092 8.197 8.290 -0.007 0.180 0.531 90 T N -2.229 112.331 114.554 0.009 0.000 2.661 90 T HA 0.187 4.767 4.350 0.052 -0.199 0.305 90 T C -2.126 172.587 174.700 0.022 0.000 1.441 90 T CA -1.113 61.001 62.100 0.024 0.000 0.999 90 T CB 1.504 70.364 68.868 -0.013 0.000 1.650 90 T HN -0.781 7.422 8.240 0.004 0.039 0.489 91 S N 0.172 115.896 115.700 0.040 0.000 2.672 91 S HA 0.306 4.790 4.470 0.024 0.000 0.276 91 S C 1.298 175.907 174.600 0.015 0.000 1.207 91 S CA -0.839 57.380 58.200 0.032 0.000 1.002 91 S CB 1.735 64.966 63.200 0.052 0.000 0.998 91 S HN 0.367 8.716 8.310 0.064 0.000 0.542 92 S N 2.993 118.700 115.700 0.012 0.000 2.382 92 S HA -0.427 4.043 4.470 0.000 0.000 0.228 92 S C 2.135 176.740 174.600 0.009 0.000 1.027 92 S CA 3.756 61.960 58.200 0.006 0.000 0.991 92 S CB -0.397 62.807 63.200 0.007 0.000 0.823 92 S HN 0.610 8.928 8.310 0.014 0.000 0.469 93 A N 1.130 123.961 122.820 0.020 0.000 1.933 93 A HA -0.139 4.192 4.320 0.018 0.000 0.218 93 A C 1.522 179.124 177.584 0.031 0.000 1.175 93 A CA 2.642 54.694 52.037 0.025 0.000 0.628 93 A CB -1.038 17.982 19.000 0.033 0.000 0.814 93 A HN 0.107 8.271 8.150 0.024 0.000 0.444 94 A N -1.343 121.502 122.820 0.040 0.000 1.898 94 A HA -0.329 4.032 4.320 0.069 0.000 0.216 94 A C 1.780 179.320 177.584 -0.074 0.000 1.181 94 A CA 2.865 54.910 52.037 0.014 0.000 0.620 94 A CB -0.411 18.597 19.000 0.015 0.000 0.819 94 A HN -0.511 7.669 8.150 0.049 0.000 0.442 95 I N -0.933 119.602 120.570 -0.058 0.000 2.208 95 I HA -0.443 3.682 4.170 -0.074 0.000 0.245 95 I C 2.259 178.366 176.117 -0.018 0.000 1.097 95 I CA 3.837 65.109 61.300 -0.047 0.000 1.363 95 I CB -0.322 37.662 38.000 -0.027 0.000 1.051 95 I HN -0.439 7.748 8.210 -0.037 0.000 0.413 96 R N -1.413 119.084 120.500 -0.005 0.000 2.096 96 R HA -0.351 3.996 4.340 0.013 0.000 0.235 96 R C 2.286 178.587 176.300 0.003 0.000 1.127 96 R CA 2.328 58.431 56.100 0.006 0.000 0.968 96 R CB -1.179 29.127 30.300 0.009 0.000 0.861 96 R HN -0.181 8.086 8.270 -0.005 0.000 0.440 97 E N 0.047 120.243 120.200 -0.007 0.000 2.051 97 E HA -0.320 4.026 4.350 -0.007 0.000 0.192 97 E C 1.730 178.299 176.600 -0.050 0.000 0.991 97 E CA 2.895 59.286 56.400 -0.015 0.000 0.799 97 E CB -0.487 29.216 29.700 0.005 0.000 0.748 97 E HN -0.385 7.887 8.360 -0.006 0.085 0.449 98 M N -0.128 119.426 119.600 -0.078 0.000 2.236 98 M HA -0.265 4.085 4.480 -0.217 0.000 0.266 98 M C 1.964 178.246 176.300 -0.030 0.000 1.070 98 M CA 3.649 58.866 55.300 -0.139 0.000 1.137 98 M CB 0.064 32.564 32.600 -0.167 0.000 1.378 98 M HN -0.467 7.778 8.290 -0.076 0.000 0.426 99 L N -1.860 119.415 121.223 0.087 0.000 2.042 99 L HA -0.363 4.183 4.340 0.343 0.000 0.210 99 L C 2.184 179.128 176.870 0.123 0.000 1.076 99 L CA 2.989 57.931 54.840 0.169 0.000 0.749 99 L CB -0.536 41.576 42.059 0.088 0.000 0.893 99 L HN 0.500 8.755 8.230 0.041 0.000 0.432 100 G N -2.189 106.638 108.800 0.046 0.000 2.422 100 G HA2 -0.296 3.849 3.960 0.045 0.000 0.218 100 G HA3 -0.296 3.671 3.960 0.012 0.000 0.218 100 G C 0.971 175.878 174.900 0.012 0.000 1.140 100 G CA 2.006 47.124 45.100 0.029 0.000 0.775 100 G HN 0.004 8.309 8.290 0.025 0.000 0.545 101 L N 1.317 122.508 121.223 -0.053 0.000 2.109 101 L HA -0.290 4.012 4.340 -0.064 0.000 0.207 101 L C 1.823 178.639 176.870 -0.090 0.000 1.086 101 L CA 2.692 57.462 54.840 -0.117 0.000 0.760 101 L CB -0.195 41.718 42.059 -0.243 0.000 0.910 101 L HN -0.604 7.453 8.230 -0.077 0.127 0.437 102 F N -0.778 119.168 119.950 -0.007 0.000 2.171 102 F HA -0.448 4.084 4.527 0.008 0.000 0.300 102 F C 2.449 178.255 175.800 0.011 0.000 1.090 102 F CA 4.231 62.230 58.000 -0.001 0.000 1.293 102 F CB -0.826 38.163 39.000 -0.018 0.000 1.013 102 F HN -0.321 7.948 8.300 -0.052 0.000 0.486 103 Q N -1.743 118.176 119.800 0.197 0.000 2.079 103 Q HA -0.476 3.933 4.340 0.114 0.000 0.200 103 Q C 1.948 178.002 176.000 0.090 0.000 0.974 103 Q CA 3.590 59.462 55.803 0.116 0.000 0.840 103 Q CB -0.688 28.098 28.738 0.081 0.000 0.898 103 Q HN 0.150 8.539 8.270 0.198 0.000 0.430 104 Q N 0.687 120.532 119.800 0.074 0.000 2.124 104 Q HA -0.336 4.039 4.340 0.058 0.000 0.202 104 Q C 2.201 178.255 176.000 0.091 0.000 0.977 104 Q CA 3.179 59.020 55.803 0.064 0.000 0.850 104 Q CB 0.139 28.899 28.738 0.037 0.000 0.901 104 Q HN 0.131 8.439 8.270 0.064 0.000 0.429 105 A N -1.704 121.181 122.820 0.109 0.000 1.898 105 A HA -0.316 4.103 4.320 0.166 0.000 0.216 105 A C 1.735 179.388 177.584 0.115 0.000 1.181 105 A CA 3.380 55.500 52.037 0.137 0.000 0.620 105 A CB -0.728 18.364 19.000 0.154 0.000 0.819 105 A HN 0.032 8.243 8.150 0.101 0.000 0.442 106 N N -3.445 115.320 118.700 0.108 0.000 2.188 106 N HA -0.242 4.539 4.740 0.068 0.000 0.184 106 N C 1.795 177.341 175.510 0.060 0.000 1.018 106 N CA 2.988 56.085 53.050 0.078 0.000 0.858 106 N CB 0.436 38.969 38.487 0.076 0.000 0.989 106 N HN -0.200 8.257 8.380 0.127 0.000 0.426 107 T N -1.123 113.469 114.554 0.064 0.000 2.937 107 T HA -0.146 4.229 4.350 0.043 0.000 0.260 107 T C 1.854 176.590 174.700 0.059 0.000 1.051 107 T CA 2.962 65.093 62.100 0.053 0.000 1.141 107 T CB 0.089 68.985 68.868 0.047 0.000 0.879 107 T HN -0.320 7.963 8.240 0.073 0.000 0.459 108 K N 1.917 122.366 120.400 0.082 0.000 2.103 108 K HA -0.084 4.291 4.320 0.091 0.000 0.204 108 K C -0.448 176.209 176.600 0.094 0.000 1.052 108 K CA 2.454 58.805 56.287 0.106 0.000 0.945 108 K CB 0.761 33.360 32.500 0.164 0.000 0.722 108 K HN -0.107 8.198 8.250 0.091 0.000 0.443 109 c N -1.964 116.679 118.600 0.072 0.000 3.328 109 c HA 0.583 5.150 4.570 -0.005 0.000 0.230 109 c C -1.931 172.161 174.090 0.004 0.000 1.232 109 c CA -2.146 54.190 56.329 0.013 0.000 1.431 109 c CB -1.714 40.768 42.510 -0.047 0.000 1.818 109 c HN -0.003 8.277 8.230 0.082 0.000 0.484 110 P HA 0.050 4.576 4.420 0.017 -0.095 0.226 110 P C -0.522 176.771 177.300 -0.011 0.000 1.153 110 P CA 1.614 64.717 63.100 0.006 0.000 0.777 110 P CB 0.172 31.877 31.700 0.008 0.000 0.794 111 D N -2.393 117.988 120.400 -0.030 0.000 2.369 111 D HA 0.044 4.665 4.640 -0.032 0.000 0.211 111 D C -1.004 175.258 176.300 -0.064 0.000 1.077 111 D CA -0.310 53.664 54.000 -0.043 0.000 0.842 111 D CB -0.314 40.457 40.800 -0.048 0.000 0.947 111 D HN 0.189 8.496 8.370 -0.038 0.041 0.509 112 A N -0.062 122.714 122.820 -0.074 0.000 2.407 112 A HA 0.017 4.385 4.320 -0.137 -0.130 0.248 112 A C -0.225 177.321 177.584 -0.062 0.000 1.082 112 A CA 0.133 52.109 52.037 -0.100 0.000 0.785 112 A CB 0.499 19.427 19.000 -0.121 0.000 1.020 112 A HN -0.675 7.392 8.150 -0.058 0.048 0.489 113 T N 5.100 119.603 114.554 -0.086 0.000 2.817 113 T HA 0.021 4.355 4.350 -0.025 0.000 0.293 113 T C -0.376 174.316 174.700 -0.013 0.000 0.964 113 T CA 1.649 63.717 62.100 -0.054 0.000 1.085 113 T CB 0.920 69.730 68.868 -0.097 0.000 0.921 113 T HN 0.329 8.488 8.240 -0.135 0.000 0.502 114 L N 5.657 126.915 121.223 0.057 0.000 2.360 114 L HA 0.880 5.496 4.340 0.142 -0.191 0.271 114 L C -0.902 176.073 176.870 0.176 0.000 1.057 114 L CA -1.167 53.757 54.840 0.140 0.000 0.803 114 L CB 1.753 43.935 42.059 0.205 0.000 1.207 114 L HN 0.207 8.471 8.230 0.057 0.000 0.445 115 I N -7.432 113.302 120.570 0.275 0.000 2.994 115 I HA 0.976 5.459 4.170 0.298 -0.135 0.306 115 I C -2.092 174.309 176.117 0.473 0.000 1.195 115 I CA -2.198 59.319 61.300 0.361 0.000 1.001 115 I CB 4.406 42.617 38.000 0.351 0.000 1.244 115 I HN 0.399 8.793 8.210 0.308 0.000 0.437 116 A N -0.561 122.527 122.820 0.446 0.000 2.566 116 A HA 1.141 5.714 4.320 0.055 -0.220 0.292 116 A C -1.811 175.978 177.584 0.341 0.000 1.112 116 A CA -1.843 50.355 52.037 0.268 0.000 0.707 116 A CB 4.084 23.232 19.000 0.247 0.000 1.302 116 A HN 0.290 8.694 8.150 0.423 0.000 0.409 117 G N -3.319 105.573 108.800 0.153 0.000 2.576 117 G HA2 0.706 4.959 3.960 0.197 0.000 0.290 117 G HA3 0.706 5.062 3.960 0.661 0.000 0.290 117 G C -2.688 172.187 174.900 -0.042 0.000 1.442 117 G CA -0.034 45.235 45.100 0.281 0.000 0.792 117 G HN -0.101 8.136 8.290 -0.089 0.000 0.491 118 G N -2.938 105.877 108.800 0.025 0.000 2.601 118 G HA2 0.595 4.230 3.960 -0.821 0.000 0.291 118 G HA3 0.595 4.529 3.960 -0.209 -0.099 0.291 118 G C -3.515 171.522 174.900 0.228 0.000 1.456 118 G CA 0.271 45.249 45.100 -0.204 0.000 0.804 118 G HN -0.190 8.217 8.290 0.197 0.000 0.499 119 Y N 2.294 122.616 120.300 0.037 0.000 2.376 119 Y HA 0.876 5.774 4.550 0.234 -0.207 0.340 119 Y C -1.094 174.875 175.900 0.116 0.000 0.965 119 Y CA -3.594 54.596 58.100 0.151 0.000 1.078 119 Y CB 3.452 41.987 38.460 0.124 0.000 1.193 119 Y HN -0.256 8.043 8.280 0.031 0.000 0.452 120 S N 5.986 121.602 115.700 -0.140 0.000 4.118 120 S HA -0.561 4.207 4.470 0.104 -0.235 0.624 120 S C 0.738 175.331 174.600 -0.011 0.000 1.929 120 S CA 2.241 60.339 58.200 -0.171 0.000 4.219 120 S CB -0.333 62.489 63.200 -0.630 0.000 0.206 120 S HN 0.743 9.136 8.310 0.139 0.000 0.525 121 Q N 3.957 123.747 119.800 -0.017 0.000 2.181 121 Q HA -0.320 4.045 4.340 0.041 0.000 0.205 121 Q C 2.112 178.129 176.000 0.027 0.000 0.980 121 Q CA 2.940 58.771 55.803 0.047 0.000 0.862 121 Q CB 0.141 28.948 28.738 0.114 0.000 0.905 121 Q HN 0.522 8.761 8.270 -0.053 0.000 0.429 122 G N -2.920 105.892 108.800 0.021 0.000 2.443 122 G HA2 -0.252 3.569 3.960 -0.231 0.000 0.219 122 G HA3 -0.252 4.002 3.960 -0.071 -0.337 0.219 122 G C 0.315 175.148 174.900 -0.111 0.000 1.131 122 G CA 1.300 46.345 45.100 -0.092 0.000 0.775 122 G HN 0.143 8.429 8.290 0.021 0.016 0.547 123 A N 2.136 124.955 122.820 -0.001 0.000 1.929 123 A HA -0.271 4.012 4.320 -0.060 0.000 0.216 123 A C 1.229 178.864 177.584 0.086 0.000 1.176 123 A CA 2.693 54.745 52.037 0.026 0.000 0.628 123 A CB -0.497 18.586 19.000 0.138 0.000 0.816 123 A HN -0.172 7.835 8.150 0.036 0.165 0.444 124 A N -0.769 122.137 122.820 0.144 0.000 1.933 124 A HA -0.225 4.260 4.320 0.274 0.000 0.218 124 A C 1.697 179.293 177.584 0.021 0.000 1.175 124 A CA 2.873 54.990 52.037 0.134 0.000 0.628 124 A CB -0.697 18.343 19.000 0.066 0.000 0.814 124 A HN -0.515 7.620 8.150 0.110 0.081 0.444 125 L N -1.113 120.063 121.223 -0.079 0.000 2.017 125 L HA -0.385 3.873 4.340 -0.137 0.000 0.208 125 L C 1.725 178.517 176.870 -0.130 0.000 1.073 125 L CA 2.830 57.566 54.840 -0.172 0.000 0.745 125 L CB -0.592 41.224 42.059 -0.405 0.000 0.894 125 L HN 0.156 8.334 8.230 -0.088 0.000 0.432 126 A N -1.827 120.916 122.820 -0.127 0.000 1.902 126 A HA -0.319 3.977 4.320 -0.040 0.000 0.217 126 A C 2.058 179.595 177.584 -0.078 0.000 1.181 126 A CA 2.954 54.938 52.037 -0.087 0.000 0.623 126 A CB -0.787 18.144 19.000 -0.116 0.000 0.818 126 A HN 0.091 8.153 8.150 -0.146 0.000 0.443 127 A N -1.931 120.850 122.820 -0.066 0.000 1.898 127 A HA -0.404 3.852 4.320 -0.107 0.000 0.216 127 A C 1.562 179.137 177.584 -0.015 0.000 1.181 127 A CA 3.039 55.055 52.037 -0.035 0.000 0.620 127 A CB -0.434 18.638 19.000 0.119 0.000 0.819 127 A HN -0.100 8.023 8.150 -0.045 0.000 0.442 128 A N -1.305 121.514 122.820 -0.002 0.000 1.898 128 A HA -0.214 4.107 4.320 0.002 0.000 0.216 128 A C 1.886 179.458 177.584 -0.020 0.000 1.181 128 A CA 2.690 54.722 52.037 -0.008 0.000 0.620 128 A CB -0.253 18.740 19.000 -0.012 0.000 0.819 128 A HN 0.213 8.365 8.150 0.004 0.000 0.442 129 S N -0.861 114.829 115.700 -0.017 0.000 2.368 129 S HA -0.236 4.242 4.470 0.013 0.000 0.224 129 S C 2.140 176.711 174.600 -0.049 0.000 1.029 129 S CA 3.588 61.799 58.200 0.017 0.000 0.988 129 S CB -0.144 63.130 63.200 0.124 0.000 0.838 129 S HN -0.177 8.119 8.310 -0.022 0.000 0.462 130 I N 2.427 122.923 120.570 -0.123 0.000 2.286 130 I HA -0.530 3.403 4.170 -0.395 0.000 0.248 130 I C 1.415 177.441 176.117 -0.152 0.000 1.115 130 I CA 4.284 65.427 61.300 -0.263 0.000 1.392 130 I CB -0.458 37.307 38.000 -0.392 0.000 1.065 130 I HN 0.105 8.262 8.210 -0.088 0.000 0.418 131 E N 1.069 121.222 120.200 -0.080 0.000 2.085 131 E HA -0.369 4.117 4.350 -0.016 -0.146 0.194 131 E C 2.155 178.736 176.600 -0.031 0.000 0.994 131 E CA 3.094 59.474 56.400 -0.032 0.000 0.801 131 E CB -0.103 29.592 29.700 -0.008 0.000 0.743 131 E HN -0.221 8.096 8.360 -0.071 0.000 0.453 132 D N -2.380 117.999 120.400 -0.036 0.000 2.348 132 D HA -0.055 4.575 4.640 -0.017 0.000 0.211 132 D C 0.570 176.850 176.300 -0.033 0.000 0.998 132 D CA 0.869 54.855 54.000 -0.024 0.000 0.873 132 D CB 0.373 41.166 40.800 -0.012 0.000 0.925 132 D HN -0.597 7.560 8.370 -0.041 0.188 0.524 133 L N 0.520 121.702 121.223 -0.068 0.000 2.426 133 L HA -0.038 4.270 4.340 -0.052 0.000 0.271 133 L C -1.306 175.524 176.870 -0.065 0.000 1.169 133 L CA -0.142 54.645 54.840 -0.090 0.000 0.836 133 L CB 1.597 43.520 42.059 -0.226 0.000 1.112 133 L HN -0.684 7.334 8.230 -0.094 0.155 0.465 134 D N 3.054 123.428 120.400 -0.043 0.000 2.443 134 D HA -0.073 4.554 4.640 -0.022 0.000 0.239 134 D C 0.998 177.277 176.300 -0.037 0.000 1.136 134 D CA 1.032 55.016 54.000 -0.028 0.000 0.879 134 D CB 1.528 42.320 40.800 -0.013 0.000 1.195 134 D HN 0.139 8.489 8.370 -0.034 0.000 0.443 135 S N 6.698 122.384 115.700 -0.023 0.000 2.447 135 S HA -0.257 4.200 4.470 -0.022 0.000 0.233 135 S C 1.508 176.097 174.600 -0.018 0.000 1.006 135 S CA 3.235 61.424 58.200 -0.019 0.000 0.957 135 S CB -0.471 62.722 63.200 -0.010 0.000 0.773 135 S HN 0.557 8.857 8.310 -0.017 0.000 0.507 136 A N 2.151 124.962 122.820 -0.015 0.000 1.940 136 A HA -0.178 4.137 4.320 -0.008 0.000 0.219 136 A C 1.138 178.715 177.584 -0.012 0.000 1.176 136 A CA 2.665 54.696 52.037 -0.010 0.000 0.631 136 A CB -0.479 18.519 19.000 -0.004 0.000 0.814 136 A HN -0.454 8.100 8.150 -0.014 -0.412 0.446 137 I N -3.470 117.084 120.570 -0.026 0.000 2.628 137 I HA -0.223 3.943 4.170 -0.007 0.000 0.255 137 I C 2.076 178.143 176.117 -0.084 0.000 1.119 137 I CA 2.433 63.711 61.300 -0.036 0.000 1.448 137 I CB 0.213 38.194 38.000 -0.032 0.000 1.133 137 I HN -0.858 7.416 8.210 -0.033 -0.084 0.438 138 R N 1.167 121.598 120.500 -0.114 0.000 2.091 138 R HA -0.395 3.792 4.340 -0.255 0.000 0.238 138 R C 2.234 178.545 176.300 0.019 0.000 1.136 138 R CA 3.972 60.004 56.100 -0.115 0.000 0.959 138 R CB -0.215 30.043 30.300 -0.070 0.000 0.856 138 R HN 0.241 8.451 8.270 -0.100 0.000 0.437 139 D N -2.009 118.399 120.400 0.014 0.000 2.350 139 D HA -0.080 4.579 4.640 0.032 0.000 0.216 139 D C 1.051 177.364 176.300 0.021 0.000 0.968 139 D CA 2.125 56.137 54.000 0.021 0.000 0.894 139 D CB -0.725 40.073 40.800 -0.003 0.000 0.909 139 D HN 0.069 8.309 8.370 -0.009 0.125 0.520 140 K N -1.291 119.120 120.400 0.019 0.000 2.426 140 K HA -0.011 4.319 4.320 0.017 0.000 0.193 140 K C -0.329 176.305 176.600 0.057 0.000 1.028 140 K CA 0.393 56.695 56.287 0.026 0.000 1.047 140 K CB 0.620 33.135 32.500 0.024 0.000 0.821 140 K HN -0.187 7.716 8.250 0.004 0.349 0.513 141 I N 0.162 120.787 120.570 0.093 0.000 2.294 141 I HA 0.028 4.368 4.170 0.143 -0.084 0.295 141 I C 0.558 176.803 176.117 0.213 0.000 1.098 141 I CA -0.316 61.077 61.300 0.154 0.000 1.277 141 I CB -0.859 37.199 38.000 0.097 0.000 1.434 141 I HN -0.220 7.768 8.210 0.091 0.277 0.498 142 A N 8.958 131.860 122.820 0.136 0.000 2.014 142 A HA -0.054 4.292 4.320 0.042 0.000 0.218 142 A C -1.189 176.455 177.584 0.099 0.000 1.163 142 A CA 1.431 53.513 52.037 0.074 0.000 0.652 142 A CB 0.558 19.565 19.000 0.011 0.000 0.808 142 A HN 0.653 8.873 8.150 0.116 0.000 0.449 143 G N -6.734 102.191 108.800 0.209 0.000 2.732 143 G HA2 0.289 4.673 3.960 0.375 0.000 0.296 143 G HA3 0.289 4.338 3.960 0.148 0.000 0.296 143 G C -2.967 172.174 174.900 0.402 0.000 1.448 143 G CA 0.165 45.445 45.100 0.299 0.000 0.911 143 G HN -0.863 7.546 8.290 0.232 0.020 0.528 144 T N 3.732 118.570 114.554 0.474 0.000 2.881 144 T HA 0.886 5.669 4.350 0.300 -0.253 0.290 144 T C -1.012 173.821 174.700 0.221 0.000 1.000 144 T CA -0.967 61.303 62.100 0.283 0.000 0.978 144 T CB 3.331 72.223 68.868 0.041 0.000 0.997 144 T HN 0.491 9.094 8.240 0.604 0.000 0.443 145 V N 2.953 122.972 119.914 0.176 0.000 2.513 145 V HA 1.037 5.278 4.120 -0.166 -0.221 0.299 145 V C -2.289 173.710 176.094 -0.158 0.000 1.035 145 V CA -2.853 59.430 62.300 -0.028 0.000 0.889 145 V CB 1.559 33.409 31.823 0.045 0.000 0.988 145 V HN 0.418 8.770 8.190 0.270 0.000 0.440 146 L N 3.886 124.917 121.223 -0.320 0.000 2.381 146 L HA 0.694 5.156 4.340 -0.118 -0.194 0.274 146 L C -1.277 175.445 176.870 -0.247 0.000 0.988 146 L CA -1.290 53.389 54.840 -0.267 0.000 0.824 146 L CB 2.846 44.629 42.059 -0.460 0.000 1.263 146 L HN 0.379 8.394 8.230 -0.358 0.000 0.410 147 F N 0.672 120.656 119.950 0.056 0.000 2.458 147 F HA 0.584 5.155 4.527 -0.214 -0.173 0.336 147 F C 0.866 176.572 175.800 -0.156 0.000 1.114 147 F CA -2.110 55.777 58.000 -0.189 0.000 0.987 147 F CB 2.065 40.857 39.000 -0.346 0.000 1.130 147 F HN 0.672 9.186 8.300 0.357 0.000 0.458 148 G N 3.514 112.237 108.800 -0.128 0.000 2.338 148 G HA2 -0.524 3.819 3.960 0.459 0.000 0.296 148 G HA3 -0.524 3.676 3.960 0.401 0.000 0.296 148 G C -1.263 173.862 174.900 0.375 0.000 1.040 148 G CA 0.541 45.822 45.100 0.302 0.000 1.004 148 G HN 0.761 8.855 8.290 -0.327 0.000 0.509 149 Y N 1.098 121.477 120.300 0.132 0.000 2.697 149 Y HA -0.063 4.528 4.550 0.068 0.000 0.349 149 Y C 0.109 176.050 175.900 0.067 0.000 1.120 149 Y CA -2.005 56.141 58.100 0.077 0.000 1.468 149 Y CB -0.187 38.295 38.460 0.036 0.000 1.182 149 Y HN -0.702 7.799 8.280 0.368 0.000 0.525 150 T N 4.943 119.545 114.554 0.079 0.000 3.035 150 T HA -0.148 4.339 4.350 -0.042 -0.162 0.268 150 T C 0.138 174.696 174.700 -0.238 0.000 1.109 150 T CA 1.352 63.414 62.100 -0.064 0.000 1.119 150 T CB 0.244 69.101 68.868 -0.019 0.000 0.900 150 T HN -0.053 8.306 8.240 0.198 0.000 0.503 151 K N -2.316 117.747 120.400 -0.561 0.000 2.498 151 K HA 0.310 4.615 4.320 -0.351 -0.195 0.207 151 K C 0.003 176.054 176.600 -0.915 0.000 1.033 151 K CA -2.120 53.795 56.287 -0.619 0.000 1.138 151 K CB -1.387 30.863 32.500 -0.415 0.000 0.860 151 K HN -0.288 7.463 8.250 -0.762 0.041 0.490 152 N N 2.141 120.305 118.700 -0.893 0.000 2.069 152 N HA -0.344 4.064 4.740 -0.553 0.000 0.191 152 N C 0.993 176.382 175.510 -0.201 0.000 1.031 152 N CA 3.899 56.664 53.050 -0.476 0.000 0.852 152 N CB -0.202 38.227 38.487 -0.097 0.000 1.018 152 N HN -0.300 7.514 8.380 -0.686 0.154 0.423 153 L N -1.526 119.603 121.223 -0.157 0.000 2.027 153 L HA -0.305 4.005 4.340 -0.051 0.000 0.206 153 L C 2.237 179.056 176.870 -0.084 0.000 1.074 153 L CA 3.589 58.379 54.840 -0.084 0.000 0.745 153 L CB -0.128 41.893 42.059 -0.062 0.000 0.898 153 L HN 0.149 8.274 8.230 -0.176 0.000 0.433 154 Q N -2.000 117.730 119.800 -0.117 0.000 2.124 154 Q HA -0.314 3.990 4.340 -0.060 0.000 0.202 154 Q C 0.997 176.957 176.000 -0.067 0.000 0.977 154 Q CA 2.900 58.651 55.803 -0.087 0.000 0.850 154 Q CB -0.255 28.424 28.738 -0.098 0.000 0.901 154 Q HN 0.322 8.498 8.270 -0.156 0.000 0.429 155 N N -3.923 114.724 118.700 -0.089 0.000 2.230 155 N HA 0.149 4.889 4.740 -0.001 0.000 0.202 155 N C -1.023 174.498 175.510 0.018 0.000 1.119 155 N CA -0.545 52.495 53.050 -0.017 0.000 0.851 155 N CB 0.994 39.504 38.487 0.039 0.000 0.990 155 N HN -0.177 8.101 8.380 -0.170 0.000 0.497 156 R N -4.150 116.347 120.500 -0.005 0.000 3.525 156 R HA -0.388 3.952 4.340 0.001 0.000 0.276 156 R C -0.096 176.233 176.300 0.048 0.000 1.116 156 R CA 0.709 56.817 56.100 0.014 0.000 0.745 156 R CB -3.258 27.050 30.300 0.013 0.000 1.185 156 R HN -0.059 7.881 8.270 -0.036 0.308 0.454 157 G N -4.031 104.825 108.800 0.092 0.000 2.143 157 G HA2 -0.417 3.888 3.960 0.251 0.000 0.249 157 G HA3 -0.417 3.598 3.960 0.091 0.000 0.249 157 G C -0.863 174.146 174.900 0.183 0.000 0.981 157 G CA 0.226 45.421 45.100 0.158 0.000 0.665 157 G HN 0.468 8.778 8.290 0.056 0.013 0.528 158 R N -2.076 118.545 120.500 0.202 0.000 2.873 158 R HA 0.518 4.925 4.340 0.112 0.000 0.264 158 R C -1.227 175.198 176.300 0.208 0.000 1.026 158 R CA -3.037 53.155 56.100 0.153 0.000 1.002 158 R CB 2.663 33.023 30.300 0.100 0.000 1.174 158 R HN -0.571 7.667 8.270 0.189 0.146 0.488 159 I N 2.097 122.757 120.570 0.150 0.000 2.336 159 I HA 0.478 4.738 4.170 0.150 0.000 0.292 159 I C -1.973 174.223 176.117 0.131 0.000 0.991 159 I CA -2.873 58.502 61.300 0.125 0.000 1.227 159 I CB 1.274 39.298 38.000 0.041 0.000 1.366 159 I HN 0.585 8.890 8.210 0.159 0.000 0.466 160 P HA 0.043 4.505 4.420 0.071 0.000 0.267 160 P C -1.176 176.171 177.300 0.078 0.000 1.205 160 P CA 0.860 64.003 63.100 0.073 0.000 0.765 160 P CB 0.311 32.041 31.700 0.049 0.000 0.828 161 N N -3.805 114.939 118.700 0.073 0.000 2.925 161 N HA -0.458 4.308 4.740 0.044 0.000 0.244 161 N C -2.028 173.556 175.510 0.123 0.000 1.000 161 N CA 1.489 54.580 53.050 0.068 0.000 0.895 161 N CB -1.535 36.980 38.487 0.046 0.000 1.119 161 N HN 0.443 8.858 8.380 0.058 0.000 0.569 162 Y N -0.224 120.064 120.300 -0.019 0.000 2.462 162 Y HA 0.374 4.906 4.550 -0.030 0.000 0.346 162 Y C -2.370 173.524 175.900 -0.010 0.000 0.976 162 Y CA -2.428 55.659 58.100 -0.023 0.000 1.044 162 Y CB 2.546 40.987 38.460 -0.032 0.000 1.230 162 Y HN -0.751 7.599 8.280 0.175 0.035 0.455 163 P HA 0.084 4.411 4.420 -0.155 0.000 0.271 163 P C -0.586 176.586 177.300 -0.213 0.000 1.216 163 P CA -0.357 62.566 63.100 -0.295 0.000 0.776 163 P CB 0.781 32.285 31.700 -0.326 0.000 0.881 164 A N 3.737 126.507 122.820 -0.084 0.000 1.972 164 A HA -0.269 4.049 4.320 -0.003 0.000 0.219 164 A C 1.701 179.277 177.584 -0.014 0.000 1.169 164 A CA 2.916 54.936 52.037 -0.030 0.000 0.635 164 A CB -0.627 18.362 19.000 -0.017 0.000 0.810 164 A HN 0.449 8.558 8.150 -0.069 0.000 0.446 165 D N -5.771 114.611 120.400 -0.030 0.000 2.269 165 D HA -0.226 4.448 4.640 0.056 0.000 0.208 165 D C 0.225 176.584 176.300 0.098 0.000 0.963 165 D CA 1.793 55.807 54.000 0.023 0.000 0.864 165 D CB -0.788 40.007 40.800 -0.010 0.000 0.936 165 D HN 0.296 8.627 8.370 -0.065 0.000 0.505 166 R N -3.478 117.034 120.500 0.021 0.000 2.334 166 R HA 0.166 4.616 4.340 0.183 0.000 0.216 166 R C -1.225 175.322 176.300 0.412 0.000 0.905 166 R CA -0.101 56.074 56.100 0.126 0.000 1.064 166 R CB 0.975 31.158 30.300 -0.195 0.000 1.046 166 R HN -0.718 7.230 8.270 -0.109 0.257 0.508 167 T N 1.377 116.093 114.554 0.270 0.000 2.823 167 T HA 0.555 5.214 4.350 0.243 -0.163 0.279 167 T C -1.163 173.402 174.700 -0.224 0.000 0.998 167 T CA -0.031 62.154 62.100 0.142 0.000 0.994 167 T CB 1.721 70.649 68.868 0.100 0.000 0.960 167 T HN -0.492 7.669 8.240 0.148 0.169 0.448 168 K N 7.524 127.593 120.400 -0.551 0.000 2.507 168 K HA 0.337 4.211 4.320 -0.743 0.000 0.252 168 K C -2.472 173.705 176.600 -0.705 0.000 0.943 168 K CA -1.320 54.428 56.287 -0.898 0.000 0.808 168 K CB 2.681 34.190 32.500 -1.652 0.000 1.142 168 K HN 0.629 8.662 8.250 -0.362 0.000 0.426 169 V N 5.852 125.400 119.914 -0.610 0.000 2.427 169 V HA 0.434 4.508 4.120 -0.369 -0.176 0.286 169 V C -0.389 175.363 176.094 -0.570 0.000 1.034 169 V CA -0.970 61.074 62.300 -0.426 0.000 0.893 169 V CB 1.153 32.880 31.823 -0.160 0.000 0.982 169 V HN 0.296 8.161 8.190 -0.541 0.000 0.452 170 F N 7.456 127.314 119.950 -0.155 0.000 2.347 170 F HA 0.200 4.770 4.527 0.071 0.000 0.366 170 F C -1.785 174.112 175.800 0.163 0.000 1.107 170 F CA -0.817 57.196 58.000 0.021 0.000 1.058 170 F CB 1.305 40.340 39.000 0.059 0.000 1.236 170 F HN 0.922 9.192 8.300 -0.050 0.000 0.456 171 c N 5.754 124.585 118.600 0.385 0.000 2.383 171 c HA 0.477 5.375 4.570 0.547 0.000 0.330 171 c C -1.024 173.299 174.090 0.389 0.000 1.168 171 c CA -1.536 55.037 56.329 0.407 0.000 1.374 171 c CB 1.087 43.744 42.510 0.246 0.000 2.014 171 c HN 0.645 9.047 8.230 0.286 0.000 0.439 172 N N 6.448 125.423 118.700 0.457 0.000 2.525 172 N HA 0.098 4.958 4.740 0.200 0.000 0.271 172 N C -0.325 175.281 175.510 0.161 0.000 1.194 172 N CA -0.321 52.861 53.050 0.221 0.000 0.964 172 N CB 1.291 39.793 38.487 0.024 0.000 1.126 172 N HN 0.445 9.258 8.380 0.721 0.000 0.452 173 T N 2.986 117.602 114.554 0.104 0.000 2.867 173 T HA -0.145 4.255 4.350 0.083 0.000 0.297 173 T C 0.900 175.640 174.700 0.067 0.000 0.989 173 T CA 2.406 64.553 62.100 0.077 0.000 1.159 173 T CB -0.042 68.860 68.868 0.056 0.000 0.928 173 T HN 0.236 8.530 8.240 0.090 0.000 0.538 174 G N 6.352 115.193 108.800 0.068 0.000 2.175 174 G HA2 -0.385 3.605 3.960 0.051 0.000 0.244 174 G HA3 -0.385 3.603 3.960 0.048 0.000 0.244 174 G C -1.225 173.724 174.900 0.081 0.000 0.982 174 G CA -0.264 44.871 45.100 0.060 0.000 0.641 174 G HN 0.321 8.652 8.290 0.068 0.000 0.527 175 D N 1.461 121.937 120.400 0.125 0.000 2.393 175 D HA 0.180 4.923 4.640 0.171 0.000 0.232 175 D C 0.616 176.991 176.300 0.124 0.000 1.192 175 D CA -1.540 52.569 54.000 0.182 0.000 0.882 175 D CB -0.367 40.640 40.800 0.345 0.000 1.038 175 D HN -0.357 8.045 8.370 0.134 0.048 0.499 176 L N 6.076 127.335 121.223 0.061 0.000 2.362 176 L HA -0.103 4.255 4.340 0.030 0.000 0.219 176 L C 1.656 178.523 176.870 -0.005 0.000 1.134 176 L CA 1.602 56.454 54.840 0.021 0.000 0.807 176 L CB -0.155 41.904 42.059 -0.001 0.000 0.927 176 L HN 0.274 8.536 8.230 0.054 0.000 0.447 177 V N -3.117 116.780 119.914 -0.029 0.000 2.913 177 V HA 0.018 4.375 4.120 -0.071 -0.280 0.260 177 V C 1.483 177.577 176.094 -0.001 0.000 1.098 177 V CA 2.022 64.289 62.300 -0.055 0.000 1.121 177 V CB -1.332 30.405 31.823 -0.143 0.000 0.714 177 V HN -0.465 7.876 8.190 -0.042 -0.176 0.487 178 c N -1.977 116.661 118.600 0.064 0.000 2.539 178 c HA 0.154 4.903 4.570 0.038 -0.156 0.268 178 c C 0.087 174.188 174.090 0.019 0.000 1.395 178 c CA 0.636 57.005 56.329 0.066 0.000 1.757 178 c CB -0.848 41.750 42.510 0.147 0.000 1.851 178 c HN -0.325 7.805 8.230 0.093 0.155 0.545 179 T N -4.643 109.917 114.554 0.010 0.000 3.296 179 T HA 0.111 4.459 4.350 -0.004 0.000 0.285 179 T C 0.753 175.442 174.700 -0.018 0.000 1.014 179 T CA -0.831 61.269 62.100 0.000 0.000 0.920 179 T CB 0.052 68.929 68.868 0.015 0.000 1.143 179 T HN -0.605 7.485 8.240 0.014 0.159 0.522 180 G N 1.228 110.006 108.800 -0.037 0.000 2.163 180 G HA2 -0.321 3.600 3.960 -0.064 0.000 0.213 180 G HA3 -0.321 3.615 3.960 -0.039 0.000 0.213 180 G C -1.070 173.805 174.900 -0.042 0.000 0.991 180 G CA -0.195 44.877 45.100 -0.046 0.000 0.653 180 G HN -0.479 7.727 8.290 -0.045 0.057 0.518 181 S N -0.422 115.254 115.700 -0.039 0.000 2.747 181 S HA 0.410 4.859 4.470 -0.035 0.000 0.300 181 S C -0.232 174.334 174.600 -0.056 0.000 1.121 181 S CA -2.259 55.917 58.200 -0.039 0.000 0.995 181 S CB 1.109 64.291 63.200 -0.029 0.000 1.113 181 S HN -0.399 7.888 8.310 -0.037 0.000 0.547 182 L N 0.922 122.112 121.223 -0.055 0.000 3.122 182 L HA 0.241 4.523 4.340 -0.097 0.000 0.274 182 L C -0.952 175.874 176.870 -0.074 0.000 1.222 182 L CA -0.836 53.961 54.840 -0.071 0.000 1.028 182 L CB 0.738 42.765 42.059 -0.053 0.000 1.386 182 L HN 0.409 8.613 8.230 -0.043 0.000 0.578 183 I N 1.587 122.119 120.570 -0.062 0.000 2.496 183 I HA -0.127 4.019 4.170 -0.040 0.000 0.285 183 I C -0.495 175.577 176.117 -0.076 0.000 1.080 183 I CA 0.290 61.560 61.300 -0.049 0.000 1.404 183 I CB 0.667 38.652 38.000 -0.025 0.000 1.403 183 I HN -0.783 7.340 8.210 -0.054 0.055 0.539 184 V N 7.003 126.885 119.914 -0.054 0.000 2.348 184 V HA 0.003 4.056 4.120 -0.112 0.000 0.270 184 V C -0.643 175.471 176.094 0.033 0.000 1.037 184 V CA -0.415 61.866 62.300 -0.031 0.000 0.872 184 V CB 0.294 32.130 31.823 0.022 0.000 1.002 184 V HN 0.168 8.340 8.190 -0.029 0.000 0.464 185 A N 8.647 131.503 122.820 0.060 0.000 2.313 185 A HA 0.328 4.680 4.320 0.053 0.000 0.323 185 A C -0.238 177.410 177.584 0.108 0.000 1.133 185 A CA -1.556 50.522 52.037 0.069 0.000 0.847 185 A CB 2.045 21.076 19.000 0.052 0.000 1.308 185 A HN -0.001 8.188 8.150 0.065 0.000 0.475 186 A N -0.890 121.974 122.820 0.073 0.000 1.927 186 A HA -0.173 4.188 4.320 0.069 0.000 0.220 186 A C -0.647 176.968 177.584 0.051 0.000 1.185 186 A CA 4.268 56.341 52.037 0.059 0.000 0.639 186 A CB -2.392 16.626 19.000 0.029 0.000 0.820 186 A HN 0.740 8.922 8.150 0.054 0.000 0.451 187 P HA -0.153 4.221 4.420 -0.077 0.000 0.226 187 P C 1.167 178.468 177.300 0.002 0.000 1.153 187 P CA 2.155 65.250 63.100 -0.009 0.000 0.777 187 P CB -0.387 31.327 31.700 0.022 0.000 0.794 188 H N -0.484 118.636 119.070 0.083 0.000 2.521 188 H HA -0.089 4.935 4.556 0.482 -0.179 0.286 188 H C 0.824 176.352 175.328 0.334 0.000 1.034 188 H CA 2.193 58.413 56.048 0.287 0.000 1.278 188 H CB 0.047 29.964 29.762 0.258 0.000 1.386 188 H HN -0.085 8.321 8.280 0.274 0.039 0.567 189 L N -4.835 116.459 121.223 0.117 0.000 2.700 189 L HA 0.411 4.817 4.340 0.109 0.000 0.234 189 L C -0.352 176.464 176.870 -0.090 0.000 1.156 189 L CA -0.794 54.080 54.840 0.055 0.000 0.946 189 L CB -0.267 41.840 42.059 0.080 0.000 1.216 189 L HN -0.402 7.730 8.230 0.098 0.158 0.493 190 A N -1.632 121.033 122.820 -0.258 0.000 2.793 190 A HA 0.283 4.489 4.320 -0.190 0.000 0.301 190 A C -0.368 176.945 177.584 -0.452 0.000 1.172 190 A CA -0.089 51.767 52.037 -0.301 0.000 0.973 190 A CB 0.241 19.091 19.000 -0.249 0.000 1.164 190 A HN -0.787 7.065 8.150 -0.364 0.079 0.542 191 Y N -2.272 117.922 120.300 -0.176 0.000 2.458 191 Y HA 0.098 4.593 4.550 -0.092 0.000 0.256 191 Y C 1.388 177.097 175.900 -0.318 0.000 1.159 191 Y CA -0.793 57.173 58.100 -0.224 0.000 1.261 191 Y CB -0.362 37.897 38.460 -0.336 0.000 1.119 191 Y HN -0.157 7.991 8.280 -0.220 0.000 0.524 192 G N 1.004 109.696 108.800 -0.179 0.000 2.476 192 G HA2 -0.315 3.501 3.960 -0.239 0.000 0.218 192 G HA3 -0.315 3.554 3.960 -0.151 0.000 0.218 192 G C -1.266 173.551 174.900 -0.138 0.000 1.164 192 G CA 2.464 47.455 45.100 -0.181 0.000 0.768 192 G HN 0.647 8.780 8.290 -0.180 0.049 0.560 193 P HA -0.101 4.282 4.420 -0.062 0.000 0.218 193 P C 0.968 178.230 177.300 -0.062 0.000 1.149 193 P CA 2.473 65.535 63.100 -0.064 0.000 0.817 193 P CB -0.280 31.397 31.700 -0.039 0.000 0.785 194 D N -1.964 118.389 120.400 -0.077 0.000 2.144 194 D HA -0.248 4.306 4.640 -0.144 0.000 0.200 194 D C 1.730 177.943 176.300 -0.145 0.000 0.978 194 D CA 3.260 57.156 54.000 -0.174 0.000 0.833 194 D CB -0.683 39.916 40.800 -0.335 0.000 0.961 194 D HN -0.658 7.677 8.370 -0.057 0.000 0.470 195 A N -0.795 121.937 122.820 -0.146 0.000 2.014 195 A HA -0.208 4.134 4.320 0.037 0.000 0.218 195 A C 1.697 179.228 177.584 -0.089 0.000 1.163 195 A CA 2.741 54.689 52.037 -0.148 0.000 0.652 195 A CB -0.464 18.299 19.000 -0.396 0.000 0.808 195 A HN -0.241 7.784 8.150 -0.207 0.000 0.449 196 R N -5.368 115.079 120.500 -0.089 0.000 2.161 196 R HA -0.168 4.131 4.340 -0.068 0.000 0.213 196 R C 0.769 177.048 176.300 -0.034 0.000 1.055 196 R CA 2.391 58.453 56.100 -0.063 0.000 0.996 196 R CB 0.555 30.818 30.300 -0.062 0.000 0.901 196 R HN -0.324 7.778 8.270 -0.103 0.106 0.456 197 G N -2.705 106.084 108.800 -0.018 0.000 2.443 197 G HA2 0.565 4.530 3.960 0.008 0.000 0.188 197 G HA3 0.565 4.535 3.960 0.016 0.000 0.188 197 G C -2.377 172.557 174.900 0.057 0.000 1.654 197 G CA 0.687 45.795 45.100 0.014 0.000 0.685 197 G HN -0.603 7.566 8.290 -0.032 0.101 0.694 198 P HA -0.090 4.453 4.420 0.204 0.000 0.217 198 P C 0.951 178.436 177.300 0.309 0.000 1.150 198 P CA 1.891 65.120 63.100 0.215 0.000 0.832 198 P CB -0.032 31.862 31.700 0.323 0.000 0.787 199 A N -2.678 120.239 122.820 0.162 0.000 1.855 199 A HA -0.032 4.567 4.320 0.466 0.000 0.215 199 A C -1.191 176.538 177.584 0.242 0.000 1.191 199 A CA 4.763 56.947 52.037 0.244 0.000 0.613 199 A CB -2.607 16.485 19.000 0.154 0.000 0.829 199 A HN 0.374 8.516 8.150 -0.014 0.000 0.442 200 P HA -0.206 4.229 4.420 0.026 0.000 0.219 200 P C 1.549 178.892 177.300 0.072 0.000 1.150 200 P CA 2.555 65.686 63.100 0.050 0.000 0.814 200 P CB -0.579 31.106 31.700 -0.025 0.000 0.787 201 E N -0.457 119.806 120.200 0.105 0.000 2.058 201 E HA -0.373 3.999 4.350 0.037 0.000 0.194 201 E C 1.975 178.660 176.600 0.141 0.000 0.997 201 E CA 3.280 59.740 56.400 0.100 0.000 0.801 201 E CB -0.215 29.555 29.700 0.116 0.000 0.746 201 E HN -0.285 8.145 8.360 0.118 0.000 0.450 202 F N 0.521 120.524 119.950 0.089 0.000 2.102 202 F HA -0.328 4.240 4.527 0.069 0.000 0.298 202 F C 1.489 177.340 175.800 0.086 0.000 1.105 202 F CA 3.620 61.674 58.000 0.089 0.000 1.239 202 F CB 0.190 39.261 39.000 0.118 0.000 0.991 202 F HN -0.299 8.245 8.300 0.407 0.000 0.474 203 L N -1.331 119.972 121.223 0.132 0.000 2.046 203 L HA -0.539 3.778 4.340 -0.038 0.000 0.208 203 L C 2.289 179.177 176.870 0.030 0.000 1.077 203 L CA 3.332 58.200 54.840 0.047 0.000 0.747 203 L CB -0.407 41.718 42.059 0.110 0.000 0.896 203 L HN -0.348 8.068 8.230 0.310 0.000 0.432 204 I N -1.387 119.220 120.570 0.062 0.000 2.226 204 I HA -0.624 3.760 4.170 0.357 0.000 0.245 204 I C 1.758 177.905 176.117 0.051 0.000 1.100 204 I CA 4.647 66.011 61.300 0.106 0.000 1.374 204 I CB -0.339 37.624 38.000 -0.061 0.000 1.057 204 I HN 0.328 8.567 8.210 0.048 0.000 0.413 205 E N 0.298 120.470 120.200 -0.046 0.000 2.110 205 E HA -0.515 3.813 4.350 -0.038 0.000 0.193 205 E C 2.215 178.737 176.600 -0.130 0.000 0.988 205 E CA 3.446 59.797 56.400 -0.081 0.000 0.804 205 E CB -0.214 29.427 29.700 -0.100 0.000 0.745 205 E HN -0.228 8.098 8.360 -0.057 0.000 0.458 206 K N -2.124 118.127 120.400 -0.248 0.000 2.155 206 K HA -0.188 4.002 4.320 -0.218 0.000 0.203 206 K C 2.800 179.338 176.600 -0.104 0.000 1.052 206 K CA 1.579 57.719 56.287 -0.245 0.000 0.948 206 K CB -0.397 31.854 32.500 -0.414 0.000 0.728 206 K HN -0.190 7.852 8.250 -0.347 0.000 0.448 207 V N 0.437 120.330 119.914 -0.036 0.000 2.307 207 V HA -0.461 3.631 4.120 -0.047 0.000 0.245 207 V C 1.648 177.747 176.094 0.009 0.000 1.045 207 V CA 4.479 66.772 62.300 -0.012 0.000 1.024 207 V CB -0.182 31.637 31.823 -0.006 0.000 0.651 207 V HN 0.030 8.212 8.190 -0.014 0.000 0.449 208 R N -0.942 119.592 120.500 0.058 0.000 2.148 208 R HA -0.187 4.321 4.340 0.063 -0.130 0.227 208 R C 2.668 178.970 176.300 0.003 0.000 1.103 208 R CA 2.931 59.060 56.100 0.050 0.000 0.983 208 R CB -0.327 30.010 30.300 0.062 0.000 0.874 208 R HN 0.109 8.428 8.270 0.081 0.000 0.451 209 A N 0.289 123.096 122.820 -0.023 0.000 1.978 209 A HA -0.188 4.115 4.320 -0.027 0.000 0.220 209 A C 1.048 178.614 177.584 -0.030 0.000 1.170 209 A CA 2.979 54.995 52.037 -0.034 0.000 0.636 209 A CB -0.370 18.596 19.000 -0.057 0.000 0.810 209 A HN 0.047 8.156 8.150 -0.034 0.021 0.448 210 V N -5.499 114.396 119.914 -0.032 0.000 3.263 210 V HA 0.050 4.152 4.120 -0.029 0.000 0.248 210 V C 1.206 177.283 176.094 -0.028 0.000 1.145 210 V CA 1.549 63.830 62.300 -0.031 0.000 1.107 210 V CB 0.665 32.467 31.823 -0.035 0.000 0.797 210 V HN -0.694 7.476 8.190 -0.034 0.000 0.467 211 R N -1.064 119.421 120.500 -0.025 0.000 2.265 211 R HA 0.072 4.393 4.340 -0.032 0.000 0.194 211 R C 0.604 176.898 176.300 -0.009 0.000 0.931 211 R CA 0.395 56.480 56.100 -0.026 0.000 1.032 211 R CB 1.148 31.424 30.300 -0.040 0.000 0.980 211 R HN -0.040 8.217 8.270 -0.022 0.000 0.497 212 G N -0.937 107.863 108.800 -0.000 0.000 2.725 212 G HA2 -0.274 3.791 3.960 0.003 0.000 0.220 212 G HA3 -0.274 3.687 3.960 0.002 0.000 0.220 212 G C -2.440 172.474 174.900 0.023 0.000 1.357 212 G CA -0.043 45.061 45.100 0.006 0.000 0.866 212 G HN -0.069 8.008 8.290 -0.001 0.212 0.548 213 S N 0.000 115.712 115.700 0.019 0.000 2.498 213 S HA 0.000 4.487 4.470 0.028 0.000 0.327 213 S CA 0.000 58.215 58.200 0.025 0.000 1.107 213 S CB 0.000 63.219 63.200 0.031 0.000 0.593 213 S HN 0.000 8.316 8.310 0.010 0.000 0.517