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 1q56_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSEKVIIEKA AGDAEAIAFD GRTYMEYHNA VTKSEKALQS NHFELSIKTE DATA SEQUENCE ATQGLILWSG KGLERSDYIA LAIVDGFVQM MYDLGSKPVV LRSTVPINTN DATA SEQUENCE HWTHIKAYRV QREGSLQVGN EAPITGSSPL GATQLDTDGA LWLGGMERLS DATA SEQUENCE VAHKLPKAYS TGFIGcIRDV IVDRQELHLV EDALNNPTIL HcSAK 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 3.959 3.960 -0.002 0.000 0.244 1 G C 0.000 174.898 174.900 -0.003 0.000 0.946 1 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 2 S N 0.785 116.483 115.700 -0.003 0.000 2.561 2 S HA 0.249 4.717 4.470 -0.003 0.000 0.303 2 S C -0.474 174.124 174.600 -0.003 0.000 1.110 2 S CA 0.028 58.226 58.200 -0.003 0.000 1.034 2 S CB 0.649 63.847 63.200 -0.003 0.000 1.010 2 S HN 0.022 8.331 8.310 -0.003 0.000 0.482 3 E N 4.975 125.173 120.200 -0.003 0.000 2.394 3 E HA 0.110 4.458 4.350 -0.003 0.000 0.191 3 E C -1.039 175.559 176.600 -0.003 0.000 1.044 3 E CA -0.439 55.959 56.400 -0.003 0.000 0.939 3 E CB 0.021 29.719 29.700 -0.003 0.000 1.089 3 E HN 0.419 8.777 8.360 -0.003 0.000 0.456 4 K N -3.448 116.950 120.400 -0.003 0.000 1.009 4 K HA -0.344 3.973 4.320 -0.004 0.000 0.792 4 K C -1.701 174.896 176.600 -0.004 0.000 2.000 4 K CA 0.654 56.939 56.287 -0.004 0.000 1.316 4 K CB 0.121 32.619 32.500 -0.004 0.000 2.454 4 K HN -0.434 7.723 8.250 -0.003 0.091 0.347 5 V N 1.655 121.567 119.914 -0.004 0.000 2.398 5 V HA 0.221 4.338 4.120 -0.005 0.000 0.282 5 V C -1.092 174.999 176.094 -0.005 0.000 1.014 5 V CA -0.768 61.529 62.300 -0.005 0.000 0.838 5 V CB 0.237 32.057 31.823 -0.005 0.000 1.018 5 V HN 0.020 8.207 8.190 -0.004 0.000 0.432 6 I N 3.840 124.407 120.570 -0.005 0.000 2.713 6 I HA 0.302 4.469 4.170 -0.005 0.000 0.300 6 I C -0.351 175.763 176.117 -0.006 0.000 1.009 6 I CA -0.289 61.008 61.300 -0.005 0.000 1.305 6 I CB 0.989 38.986 38.000 -0.005 0.000 1.430 6 I HN -0.174 8.033 8.210 -0.005 0.000 0.546 7 I N 3.766 124.332 120.570 -0.006 0.000 2.668 7 I HA 0.082 4.248 4.170 -0.007 0.000 0.276 7 I C -0.961 175.152 176.117 -0.007 0.000 1.139 7 I CA 0.119 61.415 61.300 -0.007 0.000 1.133 7 I CB -0.090 37.905 38.000 -0.007 0.000 1.327 7 I HN 0.034 8.241 8.210 -0.006 0.000 0.520 8 E N 7.247 127.443 120.200 -0.007 0.000 2.593 8 E HA 0.151 4.497 4.350 -0.007 0.000 0.232 8 E C -0.921 175.675 176.600 -0.007 0.000 1.026 8 E CA -0.022 56.374 56.400 -0.007 0.000 0.772 8 E CB 0.520 30.216 29.700 -0.006 0.000 1.310 8 E HN 0.135 8.491 8.360 -0.006 0.000 0.413 9 K N 4.715 125.111 120.400 -0.008 0.000 2.604 9 K HA 0.197 4.513 4.320 -0.006 0.000 0.247 9 K C -1.116 175.478 176.600 -0.009 0.000 0.956 9 K CA 0.119 56.402 56.287 -0.008 0.000 0.896 9 K CB 0.971 33.467 32.500 -0.008 0.000 1.131 9 K HN 0.209 8.453 8.250 -0.009 0.000 0.440 10 A N 4.059 126.874 122.820 -0.009 0.000 2.664 10 A HA 0.333 4.645 4.320 -0.013 0.000 0.338 10 A C -0.475 177.103 177.584 -0.009 0.000 1.280 10 A CA -0.011 52.020 52.037 -0.011 0.000 0.809 10 A CB -0.087 18.906 19.000 -0.010 0.000 1.114 10 A HN 0.568 8.713 8.150 -0.007 0.000 0.479 11 A N 2.241 125.055 122.820 -0.010 0.000 2.476 11 A HA 0.059 4.377 4.320 -0.003 0.000 0.263 11 A C 0.300 177.878 177.584 -0.011 0.000 1.342 11 A CA -0.338 51.695 52.037 -0.007 0.000 0.926 11 A CB -0.270 18.727 19.000 -0.005 0.000 1.019 11 A HN 0.641 8.784 8.150 -0.012 0.000 0.515 12 G N -1.150 107.641 108.800 -0.016 0.000 2.814 12 G HA2 -0.176 3.770 3.960 -0.025 0.000 0.677 12 G HA3 -0.176 3.773 3.960 -0.019 0.000 0.677 12 G C -1.530 173.348 174.900 -0.036 0.000 1.429 12 G CA -0.646 44.440 45.100 -0.023 0.000 0.868 12 G HN -0.499 7.668 8.290 -0.015 0.114 0.553 13 D N 0.081 120.449 120.400 -0.052 0.000 2.735 13 D HA 0.104 4.706 4.640 -0.064 0.000 0.291 13 D C -1.481 174.756 176.300 -0.105 0.000 1.205 13 D CA 0.620 54.577 54.000 -0.071 0.000 0.777 13 D CB 0.427 41.185 40.800 -0.069 0.000 1.234 13 D HN 0.110 8.449 8.370 -0.052 0.000 0.520 14 A N 1.611 124.368 122.820 -0.105 0.000 3.248 14 A HA 0.301 4.498 4.320 -0.205 0.000 0.315 14 A C -0.618 176.878 177.584 -0.147 0.000 0.974 14 A CA -0.598 51.353 52.037 -0.143 0.000 0.939 14 A CB 0.498 19.445 19.000 -0.088 0.000 1.061 14 A HN -0.074 8.026 8.150 -0.083 0.000 0.481 15 E N 0.795 120.904 120.200 -0.152 0.000 2.214 15 E HA -0.167 4.069 4.350 -0.190 0.000 0.291 15 E C -1.355 175.179 176.600 -0.111 0.000 1.137 15 E CA -0.145 56.167 56.400 -0.146 0.000 1.175 15 E CB -1.677 27.965 29.700 -0.097 0.000 1.071 15 E HN 0.382 8.653 8.360 -0.148 0.000 0.467 16 A N 2.541 125.306 122.820 -0.091 0.000 2.301 16 A HA 0.306 4.750 4.320 0.207 0.000 0.312 16 A C -1.620 176.039 177.584 0.125 0.000 1.182 16 A CA -1.231 50.890 52.037 0.139 0.000 0.826 16 A CB 2.047 21.241 19.000 0.323 0.000 1.134 16 A HN 0.708 8.730 8.150 -0.152 0.037 0.501 17 I N 1.789 122.534 120.570 0.291 0.000 2.439 17 I HA 0.395 4.948 4.170 0.247 -0.235 0.285 17 I C -0.900 175.426 176.117 0.347 0.000 1.021 17 I CA -2.252 59.208 61.300 0.266 0.000 1.091 17 I CB 1.925 40.055 38.000 0.217 0.000 1.242 17 I HN -0.409 8.051 8.210 0.417 0.000 0.439 18 A N 7.324 130.272 122.820 0.213 0.000 2.354 18 A HA 0.447 5.151 4.320 0.260 -0.228 0.269 18 A C -1.247 176.391 177.584 0.090 0.000 1.109 18 A CA -0.661 51.491 52.037 0.192 0.000 0.800 18 A CB 1.328 20.378 19.000 0.084 0.000 1.045 18 A HN 0.347 8.495 8.150 0.189 0.116 0.489 19 F N 0.030 119.862 119.950 -0.197 0.000 2.518 19 F HA 0.063 4.536 4.527 -0.090 0.000 0.338 19 F C -0.532 175.146 175.800 -0.202 0.000 1.065 19 F CA -1.058 56.825 58.000 -0.196 0.000 1.012 19 F CB 2.854 41.661 39.000 -0.320 0.000 1.297 19 F HN 0.523 8.855 8.300 0.248 0.117 0.489 20 D N -2.987 117.431 120.400 0.030 0.000 2.520 20 D HA 0.084 4.700 4.640 -0.039 0.000 0.223 20 D C 0.861 177.166 176.300 0.009 0.000 1.186 20 D CA -0.901 53.093 54.000 -0.011 0.000 0.821 20 D CB 2.218 43.010 40.800 -0.012 0.000 1.072 20 D HN 0.228 8.642 8.370 0.072 0.000 0.518 21 G N -0.507 108.326 108.800 0.054 0.000 2.211 21 G HA2 -0.375 3.754 3.960 0.084 0.000 0.201 21 G HA3 -0.375 3.610 3.960 0.042 0.000 0.201 21 G C -0.552 174.405 174.900 0.095 0.000 0.997 21 G CA 0.071 45.212 45.100 0.068 0.000 0.652 21 G HN -0.264 8.090 8.290 0.106 0.000 0.500 22 R N -0.064 120.499 120.500 0.104 0.000 2.507 22 R HA 0.225 4.628 4.340 0.105 0.000 0.230 22 R C -1.570 174.836 176.300 0.177 0.000 0.897 22 R CA -0.112 56.054 56.100 0.112 0.000 1.006 22 R CB 2.325 32.665 30.300 0.068 0.000 1.341 22 R HN 0.381 9.101 8.270 0.091 -0.395 0.604 23 T N 2.676 117.324 114.554 0.156 0.000 2.905 23 T HA -0.173 4.276 4.350 0.165 0.000 0.299 23 T C -1.210 173.678 174.700 0.313 0.000 1.024 23 T CA 1.555 63.739 62.100 0.139 0.000 1.151 23 T CB 0.003 68.780 68.868 -0.152 0.000 0.987 23 T HN -0.182 8.532 8.240 0.112 -0.407 0.535 24 Y N 1.227 121.598 120.300 0.119 0.000 2.332 24 Y HA 0.309 5.021 4.550 0.270 0.000 0.326 24 Y C -1.843 174.138 175.900 0.136 0.000 0.978 24 Y CA -2.765 55.462 58.100 0.211 0.000 1.205 24 Y CB 1.517 40.140 38.460 0.272 0.000 1.131 24 Y HN -0.302 8.271 8.280 0.489 0.000 0.462 25 M N 4.669 124.179 119.600 -0.151 0.000 2.383 25 M HA 0.118 4.359 4.480 -0.399 0.000 0.337 25 M C -0.985 174.929 176.300 -0.644 0.000 1.422 25 M CA -1.450 53.569 55.300 -0.469 0.000 1.333 25 M CB -1.233 31.003 32.600 -0.607 0.000 1.488 25 M HN -0.057 8.297 8.290 0.108 0.000 0.454 26 E N 5.528 125.308 120.200 -0.700 0.000 1.861 26 E HA 0.055 3.294 4.350 -1.852 0.000 0.263 26 E C -1.258 175.059 176.600 -0.470 0.000 1.137 26 E CA -0.750 55.005 56.400 -1.076 0.000 0.944 26 E CB 0.183 29.367 29.700 -0.861 0.000 1.092 26 E HN 0.100 7.987 8.360 -0.789 0.000 0.420 27 Y N 6.739 126.612 120.300 -0.712 0.000 2.595 27 Y HA 0.082 4.623 4.550 -0.256 -0.144 0.347 27 Y C -1.365 174.325 175.900 -0.350 0.000 1.025 27 Y CA -3.239 54.637 58.100 -0.373 0.000 1.295 27 Y CB -1.089 37.228 38.460 -0.238 0.000 1.147 27 Y HN 0.628 8.492 8.280 -0.693 0.000 0.515 28 H N 6.456 125.468 119.070 -0.097 0.000 2.820 28 H HA 0.140 4.690 4.556 -0.010 0.000 0.278 28 H C -1.151 174.174 175.328 -0.006 0.000 1.142 28 H CA 0.330 56.358 56.048 -0.034 0.000 1.346 28 H CB 0.346 30.102 29.762 -0.010 0.000 1.438 28 H HN -0.131 8.341 8.280 0.060 -0.156 0.473 29 N N 4.641 123.417 118.700 0.126 0.000 2.610 29 N HA 0.113 4.905 4.740 0.086 0.000 0.264 29 N C -2.548 173.009 175.510 0.078 0.000 1.348 29 N CA -0.996 52.107 53.050 0.087 0.000 0.819 29 N CB 3.858 42.379 38.487 0.056 0.000 1.521 29 N HN -0.211 8.216 8.380 0.079 0.000 0.497 30 A N -0.655 122.199 122.820 0.056 0.000 2.371 30 A HA 0.632 5.234 4.320 0.043 -0.256 0.311 30 A C 0.809 178.406 177.584 0.021 0.000 1.068 30 A CA -1.825 50.237 52.037 0.042 0.000 0.744 30 A CB 2.931 21.959 19.000 0.047 0.000 1.239 30 A HN 0.100 8.279 8.150 0.048 0.000 0.435 31 V N -1.893 118.025 119.914 0.007 0.000 2.287 31 V HA -0.223 3.894 4.120 -0.005 0.000 0.248 31 V C -0.683 175.411 176.094 -0.000 0.000 1.053 31 V CA 1.856 64.153 62.300 -0.005 0.000 1.027 31 V CB -0.431 31.378 31.823 -0.023 0.000 0.646 31 V HN 0.250 8.443 8.190 0.005 0.000 0.447 32 T N -4.637 109.918 114.554 0.002 0.000 3.798 32 T HA 0.078 4.429 4.350 0.003 0.000 0.339 32 T C -1.327 173.376 174.700 0.007 0.000 0.967 32 T CA -0.898 61.203 62.100 0.003 0.000 1.046 32 T CB 1.565 70.432 68.868 -0.002 0.000 1.092 32 T HN -0.672 7.570 8.240 0.004 0.000 0.465 33 K N 7.567 127.972 120.400 0.009 0.000 2.250 33 K HA -0.149 4.180 4.320 0.016 0.000 0.277 33 K C -0.413 176.192 176.600 0.008 0.000 1.091 33 K CA 1.372 57.666 56.287 0.011 0.000 1.046 33 K CB -0.842 31.664 32.500 0.011 0.000 0.982 33 K HN 0.580 8.835 8.250 0.008 0.000 0.429 34 S N 1.351 117.056 115.700 0.009 0.000 4.987 34 S HA -0.051 4.423 4.470 0.007 0.000 0.123 34 S C 0.636 175.240 174.600 0.007 0.000 1.018 34 S CA 0.171 58.375 58.200 0.007 0.000 1.391 34 S CB 0.631 63.834 63.200 0.004 0.000 1.576 34 S HN 0.245 8.561 8.310 0.011 0.000 0.424 35 E N 2.585 122.788 120.200 0.005 0.000 2.110 35 E HA 0.042 4.395 4.350 0.005 0.000 0.194 35 E C -0.119 176.485 176.600 0.007 0.000 0.944 35 E CA 0.253 56.656 56.400 0.004 0.000 0.899 35 E CB 1.116 30.816 29.700 0.000 0.000 0.907 35 E HN -0.375 7.988 8.360 0.004 0.000 0.473 36 K N -1.603 118.800 120.400 0.006 0.000 4.854 36 K HA -0.364 3.961 4.320 0.008 0.000 0.338 36 K C -1.815 174.789 176.600 0.007 0.000 1.013 36 K CA 0.733 57.025 56.287 0.009 0.000 1.072 36 K CB -1.315 31.195 32.500 0.018 0.000 1.642 36 K HN 0.282 8.533 8.250 0.002 0.000 0.426 37 A N 0.876 123.696 122.820 -0.000 0.000 2.186 37 A HA 0.002 4.323 4.320 0.001 0.000 0.227 37 A C -1.320 176.258 177.584 -0.009 0.000 2.718 37 A CA -0.308 51.729 52.037 -0.001 0.000 1.903 37 A CB -0.768 18.233 19.000 0.002 0.000 0.415 37 A HN 0.050 8.197 8.150 -0.005 0.000 0.826 38 L N -1.307 119.905 121.223 -0.018 0.000 2.453 38 L HA -0.126 4.196 4.340 -0.031 0.000 0.283 38 L C -0.770 176.085 176.870 -0.024 0.000 1.284 38 L CA 0.176 54.997 54.840 -0.031 0.000 0.822 38 L CB -1.043 40.986 42.059 -0.052 0.000 1.081 38 L HN -0.119 8.101 8.230 -0.017 0.000 0.562 39 Q N -1.339 118.444 119.800 -0.028 0.000 2.322 39 Q HA 0.080 4.414 4.340 -0.011 0.000 0.250 39 Q C -0.524 175.468 176.000 -0.013 0.000 0.853 39 Q CA 0.524 56.319 55.803 -0.015 0.000 0.951 39 Q CB 2.318 31.052 28.738 -0.006 0.000 1.114 39 Q HN 0.259 8.505 8.270 -0.039 0.000 0.523 40 S N -3.192 112.487 115.700 -0.034 0.000 2.543 40 S HA 0.466 5.076 4.470 0.009 -0.135 0.274 40 S C -1.818 172.691 174.600 -0.152 0.000 1.149 40 S CA -0.984 57.202 58.200 -0.024 0.000 0.866 40 S CB 1.756 64.978 63.200 0.036 0.000 1.111 40 S HN -0.590 7.685 8.310 -0.058 0.000 0.457 41 N N 2.303 120.943 118.700 -0.101 0.000 2.321 41 N HA 0.432 5.014 4.740 -0.676 -0.248 0.290 41 N C -1.706 173.673 175.510 -0.218 0.000 1.212 41 N CA -1.063 51.772 53.050 -0.358 0.000 0.767 41 N CB 2.729 41.129 38.487 -0.145 0.000 1.494 41 N HN 0.157 8.584 8.380 0.078 0.000 0.479 42 H N -2.269 116.667 119.070 -0.222 0.000 2.492 42 H HA 0.816 5.725 4.556 0.347 -0.145 0.345 42 H C -1.160 173.894 175.328 -0.458 0.000 1.136 42 H CA -2.704 53.332 56.048 -0.020 0.000 1.202 42 H CB 2.733 32.531 29.762 0.060 0.000 1.524 42 H HN 1.106 9.415 8.280 -0.809 -0.515 0.506 43 F N 0.754 120.780 119.950 0.127 0.000 2.507 43 F HA 0.448 5.144 4.527 0.055 -0.136 0.328 43 F C -1.485 174.325 175.800 0.015 0.000 1.136 43 F CA -0.961 57.066 58.000 0.045 0.000 0.930 43 F CB 2.591 41.596 39.000 0.009 0.000 1.166 43 F HN 0.101 8.700 8.300 0.499 0.000 0.436 44 E N 1.935 122.227 120.200 0.153 0.000 2.288 44 E HA 0.948 5.526 4.350 0.107 -0.163 0.268 44 E C -1.114 175.589 176.600 0.171 0.000 0.885 44 E CA -1.525 54.966 56.400 0.150 0.000 0.767 44 E CB 4.025 33.821 29.700 0.160 0.000 1.220 44 E HN 0.939 9.256 8.360 0.106 0.106 0.427 45 L N -3.939 117.421 121.223 0.228 0.000 2.948 45 L HA 0.799 5.420 4.340 0.135 -0.200 0.248 45 L C -2.213 174.809 176.870 0.253 0.000 0.977 45 L CA -0.294 54.658 54.840 0.186 0.000 1.002 45 L CB 3.294 45.437 42.059 0.141 0.000 1.519 45 L HN 0.019 8.425 8.230 0.294 0.000 0.422 46 S N -0.119 115.703 115.700 0.204 0.000 2.566 46 S HA 1.028 5.834 4.470 0.328 -0.139 0.298 46 S C -1.159 173.754 174.600 0.521 0.000 1.083 46 S CA -1.689 56.697 58.200 0.311 0.000 0.978 46 S CB 3.196 66.481 63.200 0.142 0.000 1.073 46 S HN -0.007 8.387 8.310 0.139 0.000 0.491 47 I N -4.576 116.297 120.570 0.505 0.000 3.006 47 I HA 0.905 5.564 4.170 0.528 -0.173 0.306 47 I C -2.322 173.723 176.117 -0.120 0.000 1.250 47 I CA -1.644 59.832 61.300 0.294 0.000 0.996 47 I CB 4.783 42.816 38.000 0.056 0.000 1.261 47 I HN 0.175 8.632 8.210 0.411 0.000 0.442 48 K N 4.756 124.899 120.400 -0.429 0.000 2.432 48 K HA 0.587 4.858 4.320 -0.446 -0.219 0.226 48 K C -0.231 176.354 176.600 -0.025 0.000 1.057 48 K CA -1.791 54.203 56.287 -0.489 0.000 1.034 48 K CB 0.901 32.837 32.500 -0.941 0.000 1.561 48 K HN 0.940 8.896 8.250 -0.267 0.134 0.492 49 T N 5.413 119.996 114.554 0.047 0.000 2.813 49 T HA -0.136 4.682 4.350 0.780 0.000 0.297 49 T C -0.710 174.062 174.700 0.120 0.000 1.036 49 T CA 0.657 62.892 62.100 0.224 0.000 1.044 49 T CB 0.692 69.516 68.868 -0.075 0.000 0.993 49 T HN 0.083 8.288 8.240 -0.058 0.000 0.535 50 E N -0.279 120.027 120.200 0.176 0.000 3.085 50 E HA 0.132 4.471 4.350 -0.018 0.000 0.179 50 E C -1.442 175.170 176.600 0.020 0.000 0.951 50 E CA 0.029 56.449 56.400 0.032 0.000 1.326 50 E CB 0.371 30.066 29.700 -0.008 0.000 1.043 50 E HN 0.421 9.009 8.360 0.380 0.000 0.457 51 A N 0.250 123.081 122.820 0.018 0.000 1.568 51 A HA 0.261 4.563 4.320 -0.030 0.000 0.147 51 A C -1.089 176.450 177.584 -0.075 0.000 1.552 51 A CA 0.639 52.666 52.037 -0.016 0.000 2.807 51 A CB 0.545 19.563 19.000 0.030 0.000 2.976 51 A HN -0.411 7.753 8.150 0.023 0.000 1.316 52 T N -5.791 108.714 114.554 -0.083 0.000 3.551 52 T HA -0.034 4.171 4.350 -0.243 0.000 0.294 52 T C -1.496 173.122 174.700 -0.137 0.000 0.865 52 T CA 0.429 62.427 62.100 -0.171 0.000 0.938 52 T CB 1.193 69.956 68.868 -0.176 0.000 1.139 52 T HN -0.416 7.804 8.240 -0.033 0.000 0.689 53 Q N 3.576 123.336 119.800 -0.067 0.000 2.337 53 Q HA 0.443 4.908 4.340 -0.054 -0.157 0.266 53 Q C -1.140 174.853 176.000 -0.013 0.000 1.023 53 Q CA -0.961 54.819 55.803 -0.039 0.000 0.829 53 Q CB 2.834 31.565 28.738 -0.011 0.000 1.306 53 Q HN -0.352 7.892 8.270 -0.042 0.000 0.449 54 G N 3.480 112.253 108.800 -0.045 0.000 2.341 54 G HA2 0.045 4.396 3.960 -0.027 0.000 0.300 54 G HA3 0.045 4.039 3.960 0.057 0.000 0.300 54 G C -2.996 171.787 174.900 -0.196 0.000 1.706 54 G CA 0.408 45.482 45.100 -0.044 0.000 0.916 54 G HN 0.057 8.312 8.290 -0.059 0.000 0.716 55 L N 2.243 123.259 121.223 -0.345 0.000 2.331 55 L HA 0.286 4.311 4.340 -0.524 0.000 0.278 55 L C -1.571 175.131 176.870 -0.281 0.000 1.106 55 L CA 0.218 54.704 54.840 -0.590 0.000 0.824 55 L CB 1.201 42.365 42.059 -1.491 0.000 1.142 55 L HN -0.200 7.849 8.230 -0.301 0.000 0.443 56 I N 3.590 124.021 120.570 -0.230 0.000 2.810 56 I HA 0.054 4.139 4.170 -0.141 0.000 0.262 56 I C -0.379 175.721 176.117 -0.028 0.000 1.131 56 I CA 1.597 62.803 61.300 -0.157 0.000 1.453 56 I CB 1.126 38.988 38.000 -0.229 0.000 1.161 56 I HN 0.984 8.933 8.210 -0.234 0.121 0.444 57 L N -2.654 118.587 121.223 0.029 0.000 2.434 57 L HA 0.556 5.160 4.340 0.159 -0.169 0.260 57 L C -2.761 174.289 176.870 0.299 0.000 0.983 57 L CA -1.175 53.751 54.840 0.144 0.000 0.820 57 L CB 4.418 46.538 42.059 0.101 0.000 1.361 57 L HN -0.030 8.071 8.230 -0.004 0.127 0.410 58 W N 5.662 127.045 121.300 0.139 0.000 3.405 58 W HA 0.698 5.607 4.660 0.108 -0.184 0.329 58 W C -3.081 173.566 176.519 0.214 0.000 1.142 58 W CA -1.093 56.334 57.345 0.136 0.000 1.235 58 W CB 3.684 33.200 29.460 0.092 0.000 1.341 58 W HN 1.307 9.589 8.180 0.360 0.114 0.481 59 S N 5.436 120.662 115.700 -0.790 0.000 2.627 59 S HA 0.516 4.703 4.470 -0.471 0.000 0.283 59 S C -2.269 171.727 174.600 -1.007 0.000 1.127 59 S CA -1.691 56.091 58.200 -0.696 0.000 0.863 59 S CB 2.873 65.977 63.200 -0.159 0.000 1.121 59 S HN 0.908 8.763 8.310 -0.571 0.112 0.479 60 G N -0.037 108.437 108.800 -0.544 0.000 3.019 60 G HA2 -0.107 3.729 3.960 -0.206 0.000 0.125 60 G HA3 -0.107 3.616 3.960 -0.396 0.000 0.125 60 G C -2.651 172.208 174.900 -0.068 0.000 1.193 60 G CA 0.892 45.804 45.100 -0.314 0.000 1.432 60 G HN 0.349 8.455 8.290 -0.307 0.000 0.687 61 K N -0.114 120.299 120.400 0.022 0.000 6.228 61 K HA -0.368 4.046 4.320 0.157 0.000 0.581 61 K C -1.348 175.311 176.600 0.097 0.000 1.437 61 K CA 0.288 56.644 56.287 0.115 0.000 1.549 61 K CB -1.259 31.331 32.500 0.150 0.000 1.807 61 K HN 0.037 8.300 8.250 0.023 0.000 0.358 62 G N 0.363 109.225 108.800 0.104 0.000 3.990 62 G HA2 -0.065 3.942 3.960 0.079 0.000 0.213 62 G HA3 -0.065 4.238 3.960 0.067 -0.303 0.213 62 G C -1.829 173.121 174.900 0.084 0.000 0.849 62 G CA 0.459 45.609 45.100 0.082 0.000 0.857 62 G HN 0.141 8.505 8.290 0.123 0.000 0.484 63 L N -2.683 118.605 121.223 0.108 0.000 2.309 63 L HA 0.583 4.972 4.340 0.081 0.000 0.240 63 L C -1.221 175.731 176.870 0.137 0.000 1.136 63 L CA -1.944 52.957 54.840 0.103 0.000 0.985 63 L CB 0.267 42.375 42.059 0.083 0.000 1.572 63 L HN -0.724 7.584 8.230 0.131 0.000 0.426 64 E N -1.607 118.669 120.200 0.127 0.000 2.601 64 E HA 0.140 4.587 4.350 0.162 0.000 0.219 64 E C -0.308 176.405 176.600 0.189 0.000 0.964 64 E CA 0.036 56.524 56.400 0.146 0.000 1.050 64 E CB 1.018 30.777 29.700 0.098 0.000 1.068 64 E HN 0.130 8.548 8.360 0.097 0.000 0.496 65 R N -3.584 117.020 120.500 0.173 0.000 2.476 65 R HA 0.139 4.715 4.340 0.394 0.000 0.299 65 R C -1.909 174.290 176.300 -0.169 0.000 0.699 65 R CA -0.179 56.011 56.100 0.149 0.000 0.932 65 R CB 0.045 30.398 30.300 0.088 0.000 1.512 65 R HN -0.245 8.101 8.270 0.126 0.000 0.557 66 S N -1.264 114.343 115.700 -0.155 0.000 2.851 66 S HA 0.048 4.246 4.470 -0.454 0.000 0.317 66 S C -1.464 173.008 174.600 -0.213 0.000 1.144 66 S CA -1.074 56.949 58.200 -0.296 0.000 0.862 66 S CB 2.193 65.340 63.200 -0.088 0.000 1.259 66 S HN -0.709 7.648 8.310 0.079 0.000 0.564 67 D N -0.581 119.755 120.400 -0.107 0.000 3.284 67 D HA -0.302 4.361 4.640 0.037 0.000 0.205 67 D C -1.553 174.944 176.300 0.327 0.000 1.175 67 D CA 1.326 55.360 54.000 0.057 0.000 0.970 67 D CB -0.740 40.094 40.800 0.057 0.000 0.803 67 D HN 0.149 8.448 8.370 -0.119 0.000 0.386 68 Y N 2.558 122.943 120.300 0.142 0.000 2.464 68 Y HA 0.148 4.934 4.550 0.392 0.000 0.326 68 Y C -1.261 174.799 175.900 0.268 0.000 0.969 68 Y CA -2.861 55.416 58.100 0.295 0.000 1.270 68 Y CB 0.428 39.022 38.460 0.224 0.000 1.103 68 Y HN -0.534 7.779 8.280 0.250 0.117 0.491 69 I N 3.506 124.237 120.570 0.268 0.000 2.404 69 I HA 0.138 4.477 4.170 0.281 0.000 0.293 69 I C -2.341 173.928 176.117 0.253 0.000 0.992 69 I CA -0.999 60.405 61.300 0.174 0.000 1.149 69 I CB 2.390 40.359 38.000 -0.051 0.000 1.315 69 I HN -0.277 7.945 8.210 0.021 0.000 0.446 70 A N 6.329 129.320 122.820 0.286 0.000 2.588 70 A HA 0.880 5.434 4.320 0.341 -0.029 0.290 70 A C -2.525 175.177 177.584 0.197 0.000 1.136 70 A CA -1.364 50.882 52.037 0.348 0.000 0.681 70 A CB 3.810 23.151 19.000 0.567 0.000 1.282 70 A HN -0.007 8.290 8.150 0.246 0.000 0.421 71 L N -2.451 118.872 121.223 0.167 0.000 2.541 71 L HA 0.517 5.072 4.340 0.068 -0.174 0.266 71 L C -1.949 174.924 176.870 0.005 0.000 0.966 71 L CA -0.384 54.495 54.840 0.066 0.000 0.871 71 L CB 2.952 45.021 42.059 0.017 0.000 1.232 71 L HN 0.814 9.056 8.230 0.194 0.105 0.408 72 A N 3.004 125.844 122.820 0.033 0.000 2.430 72 A HA 0.710 5.080 4.320 -0.214 -0.179 0.300 72 A C -2.380 175.172 177.584 -0.052 0.000 1.124 72 A CA -2.312 49.678 52.037 -0.079 0.000 0.766 72 A CB 4.240 23.257 19.000 0.029 0.000 1.328 72 A HN 0.610 8.820 8.150 0.101 0.000 0.424 73 I N -1.750 118.751 120.570 -0.115 0.000 2.392 73 I HA 0.704 4.952 4.170 -0.070 -0.120 0.295 73 I C -0.715 175.382 176.117 -0.033 0.000 0.985 73 I CA -0.865 60.374 61.300 -0.102 0.000 1.221 73 I CB 2.019 39.890 38.000 -0.215 0.000 1.366 73 I HN 0.865 8.829 8.210 -0.171 0.145 0.467 74 V N 5.224 125.140 119.914 0.003 0.000 2.733 74 V HA 0.450 4.806 4.120 0.010 -0.231 0.306 74 V C -1.265 174.843 176.094 0.022 0.000 1.084 74 V CA -1.782 60.536 62.300 0.030 0.000 0.905 74 V CB 3.241 35.113 31.823 0.081 0.000 1.010 74 V HN 1.167 9.249 8.190 0.027 0.125 0.424 75 D N 7.282 127.661 120.400 -0.035 0.000 3.059 75 D HA -0.354 4.250 4.640 -0.059 0.000 0.213 75 D C -0.056 175.948 176.300 -0.493 0.000 1.144 75 D CA 1.350 55.306 54.000 -0.073 0.000 0.975 75 D CB -1.499 39.407 40.800 0.178 0.000 1.125 75 D HN 0.834 9.186 8.370 -0.031 0.000 0.412 76 G N -6.148 102.293 108.800 -0.598 0.000 2.148 76 G HA2 -0.391 3.242 3.960 -0.546 0.000 0.203 76 G HA3 -0.391 2.866 3.960 -1.173 0.000 0.203 76 G C -1.995 172.137 174.900 -1.280 0.000 0.993 76 G CA -0.019 44.507 45.100 -0.958 0.000 0.661 76 G HN -0.223 7.791 8.290 -0.331 0.077 0.518 77 F N -2.667 117.254 119.950 -0.049 0.000 2.599 77 F HA 0.517 5.011 4.527 -0.056 0.000 0.311 77 F C -1.439 174.322 175.800 -0.066 0.000 1.076 77 F CA -1.923 56.046 58.000 -0.053 0.000 0.937 77 F CB 3.408 42.386 39.000 -0.036 0.000 1.282 77 F HN -0.588 7.396 8.300 -0.313 0.129 0.460 78 V N -2.188 117.789 119.914 0.105 0.000 3.134 78 V HA 0.510 4.777 4.120 -0.029 -0.165 0.313 78 V C -0.974 175.143 176.094 0.038 0.000 1.069 78 V CA -0.984 61.322 62.300 0.010 0.000 1.048 78 V CB 1.160 32.958 31.823 -0.042 0.000 1.119 78 V HN 0.705 8.979 8.190 0.140 0.000 0.461 79 Q N -4.035 115.777 119.800 0.020 0.000 2.364 79 Q HA 0.321 4.836 4.340 0.009 -0.170 0.257 79 Q C -1.777 174.237 176.000 0.024 0.000 0.956 79 Q CA -1.435 54.382 55.803 0.022 0.000 0.924 79 Q CB 3.120 31.881 28.738 0.038 0.000 1.413 79 Q HN 0.232 8.505 8.270 0.004 0.000 0.418 80 M N 7.764 127.367 119.600 0.006 0.000 2.201 80 M HA 0.383 5.065 4.480 0.037 -0.179 0.345 80 M C -1.815 174.498 176.300 0.022 0.000 1.352 80 M CA -0.558 54.756 55.300 0.023 0.000 1.218 80 M CB 0.848 33.446 32.600 -0.003 0.000 1.512 80 M HN -0.215 8.071 8.290 -0.007 0.000 0.447 81 M N 6.198 125.826 119.600 0.047 0.000 2.088 81 M HA 0.671 5.251 4.480 -0.168 -0.202 0.346 81 M C -1.735 174.590 176.300 0.042 0.000 1.111 81 M CA -1.690 53.586 55.300 -0.041 0.000 1.017 81 M CB 0.746 33.335 32.600 -0.019 0.000 1.568 81 M HN -0.183 8.169 8.290 0.103 0.000 0.445 82 Y N -0.586 119.712 120.300 -0.003 0.000 2.504 82 Y HA 0.929 5.732 4.550 0.091 -0.198 0.344 82 Y C -2.255 173.645 175.900 -0.001 0.000 1.023 82 Y CA -2.836 55.280 58.100 0.028 0.000 1.020 82 Y CB 3.397 41.856 38.460 -0.003 0.000 1.282 82 Y HN -0.217 7.736 8.280 -0.660 -0.069 0.454 83 D N 2.428 122.975 120.400 0.245 0.000 2.476 83 D HA 0.380 5.201 4.640 0.084 -0.130 0.251 83 D C -0.524 175.795 176.300 0.030 0.000 1.291 83 D CA -0.508 53.538 54.000 0.077 0.000 0.939 83 D CB 2.601 43.334 40.800 -0.111 0.000 1.221 83 D HN 0.077 8.548 8.370 0.326 0.095 0.567 84 L N 1.204 122.476 121.223 0.081 0.000 3.062 84 L HA 0.501 4.906 4.340 -0.086 -0.116 0.255 84 L C -0.873 175.977 176.870 -0.035 0.000 1.274 84 L CA -1.591 53.243 54.840 -0.010 0.000 1.047 84 L CB -0.935 41.143 42.059 0.031 0.000 1.402 84 L HN 0.524 8.858 8.230 0.173 0.000 0.550 85 G N -1.110 107.661 108.800 -0.049 0.000 3.855 85 G HA2 0.043 3.978 3.960 -0.042 0.000 0.212 85 G HA3 0.043 3.997 3.960 -0.010 0.000 0.212 85 G C -0.609 174.268 174.900 -0.037 0.000 1.544 85 G CA 1.214 46.294 45.100 -0.035 0.000 0.913 85 G HN -0.560 7.808 8.290 -0.063 -0.116 0.691 86 S N -2.501 113.183 115.700 -0.027 0.000 1.936 86 S HA -0.080 4.392 4.470 0.004 0.000 0.184 86 S C -1.682 172.919 174.600 0.002 0.000 0.757 86 S CA 0.761 58.957 58.200 -0.006 0.000 1.740 86 S CB 0.930 64.129 63.200 -0.001 0.000 1.156 86 S HN -0.115 8.378 8.310 -0.023 -0.197 0.474 87 K N 0.865 121.254 120.400 -0.018 0.000 2.394 87 K HA 0.519 4.826 4.320 -0.022 0.000 0.260 87 K C -2.653 173.893 176.600 -0.089 0.000 0.967 87 K CA -3.512 52.752 56.287 -0.037 0.000 0.855 87 K CB 0.610 33.090 32.500 -0.033 0.000 1.101 87 K HN -0.445 7.800 8.250 -0.016 -0.004 0.433 88 P HA 0.033 4.423 4.420 -0.208 -0.095 0.275 88 P C -1.233 175.900 177.300 -0.278 0.000 1.227 88 P CA -1.083 61.898 63.100 -0.197 0.000 0.781 88 P CB 0.737 32.337 31.700 -0.167 0.000 0.906 89 V N 2.769 122.376 119.914 -0.512 0.000 2.293 89 V HA 0.222 4.155 4.120 -0.311 0.000 0.275 89 V C -1.619 174.248 176.094 -0.378 0.000 1.021 89 V CA -1.638 60.358 62.300 -0.506 0.000 0.815 89 V CB 1.818 33.120 31.823 -0.869 0.000 1.025 89 V HN 0.187 7.937 8.190 -0.693 0.025 0.448 90 V N 9.639 129.431 119.914 -0.202 0.000 2.222 90 V HA 0.099 4.281 4.120 -0.109 -0.128 0.253 90 V C -1.127 174.916 176.094 -0.085 0.000 1.210 90 V CA -1.420 60.810 62.300 -0.117 0.000 1.079 90 V CB -0.876 30.904 31.823 -0.072 0.000 1.265 90 V HN 0.587 8.675 8.190 -0.171 0.000 0.494 91 L N 8.353 129.528 121.223 -0.081 0.000 2.376 91 L HA 0.061 4.372 4.340 -0.048 0.000 0.250 91 L C -0.175 176.678 176.870 -0.029 0.000 1.335 91 L CA -0.632 54.181 54.840 -0.045 0.000 1.214 91 L CB -3.014 39.032 42.059 -0.020 0.000 1.395 91 L HN -0.032 8.138 8.230 -0.101 0.000 0.424 92 R N 1.930 122.413 120.500 -0.028 0.000 2.980 92 R HA -0.064 4.423 4.340 0.011 -0.140 0.285 92 R C -0.216 176.073 176.300 -0.020 0.000 1.072 92 R CA 0.753 56.848 56.100 -0.008 0.000 1.203 92 R CB 0.675 30.970 30.300 -0.007 0.000 1.163 92 R HN 0.324 8.529 8.270 -0.036 0.043 0.545 93 S N -1.118 114.582 115.700 0.001 0.000 2.509 93 S HA 0.131 4.584 4.470 -0.028 0.000 0.297 93 S C -0.027 174.517 174.600 -0.094 0.000 1.118 93 S CA -0.627 57.565 58.200 -0.014 0.000 1.074 93 S CB 1.504 64.731 63.200 0.045 0.000 1.038 93 S HN 0.201 8.539 8.310 0.047 0.000 0.498 94 T N 6.640 121.127 114.554 -0.111 0.000 3.287 94 T HA 0.264 4.398 4.350 -0.360 0.000 0.253 94 T C -0.723 173.894 174.700 -0.138 0.000 0.975 94 T CA 0.648 62.627 62.100 -0.202 0.000 0.912 94 T CB -0.256 68.531 68.868 -0.136 0.000 1.071 94 T HN 0.534 8.734 8.240 -0.068 0.000 0.578 95 V N 2.938 122.835 119.914 -0.030 0.000 2.925 95 V HA 0.341 4.490 4.120 0.049 0.000 0.311 95 V C -2.599 173.656 176.094 0.268 0.000 1.104 95 V CA -3.649 58.698 62.300 0.079 0.000 0.954 95 V CB 3.807 35.665 31.823 0.059 0.000 1.022 95 V HN -0.513 7.582 8.190 0.004 0.097 0.427 96 P HA 0.060 4.703 4.420 0.372 0.000 0.271 96 P C -1.607 175.752 177.300 0.098 0.000 1.220 96 P CA 0.078 63.325 63.100 0.245 0.000 0.768 96 P CB 0.668 32.456 31.700 0.145 0.000 0.848 97 I N 0.644 121.216 120.570 0.003 0.000 4.312 97 I HA 0.267 4.439 4.170 0.003 0.000 0.324 97 I C -0.231 175.829 176.117 -0.095 0.000 1.298 97 I CA -1.370 59.907 61.300 -0.039 0.000 1.231 97 I CB 3.024 40.987 38.000 -0.062 0.000 1.152 97 I HN -0.292 7.868 8.210 -0.083 0.000 0.421 98 N N 2.715 121.330 118.700 -0.141 0.000 3.210 98 N HA -0.074 4.602 4.740 -0.107 0.000 0.314 98 N C -0.088 175.344 175.510 -0.131 0.000 1.291 98 N CA 0.750 53.721 53.050 -0.133 0.000 1.202 98 N CB -1.595 36.792 38.487 -0.167 0.000 1.475 98 N HN -0.028 8.242 8.380 -0.184 0.000 0.554 99 T N 1.879 116.350 114.554 -0.138 0.000 3.129 99 T HA 0.061 4.272 4.350 -0.233 0.000 0.267 99 T C -0.649 173.827 174.700 -0.374 0.000 1.018 99 T CA -0.550 61.407 62.100 -0.238 0.000 0.903 99 T CB 0.215 68.980 68.868 -0.171 0.000 1.067 99 T HN -0.109 7.976 8.240 -0.108 0.091 0.549 100 N N -0.763 117.812 118.700 -0.209 0.000 2.678 100 N HA -0.515 4.452 4.740 -0.129 -0.305 0.250 100 N C -2.406 173.089 175.510 -0.025 0.000 1.136 100 N CA 2.174 55.129 53.050 -0.158 0.000 0.757 100 N CB -0.556 37.833 38.487 -0.164 0.000 1.135 100 N HN -0.509 7.718 8.380 -0.147 0.065 0.565 101 H N -2.745 116.240 119.070 -0.140 0.000 2.710 101 H HA 0.260 4.732 4.556 -0.139 0.000 0.361 101 H C -0.350 174.893 175.328 -0.143 0.000 1.175 101 H CA -1.545 54.433 56.048 -0.118 0.000 1.206 101 H CB 2.747 32.505 29.762 -0.008 0.000 1.750 101 H HN -0.429 7.754 8.280 -0.060 0.061 0.553 102 W N 1.784 123.165 121.300 0.136 0.000 2.585 102 W HA 0.001 4.843 4.660 0.085 -0.130 0.337 102 W C -0.667 175.898 176.519 0.077 0.000 1.226 102 W CA 0.228 57.620 57.345 0.077 0.000 1.463 102 W CB 0.092 29.565 29.460 0.022 0.000 1.458 102 W HN 0.262 8.571 8.180 0.216 0.000 0.458 103 T N 6.042 120.800 114.554 0.340 0.000 2.881 103 T HA 0.171 4.662 4.350 0.236 0.000 0.278 103 T C -1.798 173.084 174.700 0.304 0.000 0.982 103 T CA -0.493 61.760 62.100 0.255 0.000 0.989 103 T CB 1.826 70.790 68.868 0.159 0.000 1.058 103 T HN 0.309 8.722 8.240 0.289 0.000 0.529 104 H N 2.085 121.226 119.070 0.118 0.000 2.495 104 H HA 0.324 4.940 4.556 0.099 0.000 0.348 104 H C -1.045 174.314 175.328 0.052 0.000 1.113 104 H CA -1.259 54.839 56.048 0.085 0.000 1.195 104 H CB 1.810 31.610 29.762 0.063 0.000 1.521 104 H HN 0.210 8.654 8.280 0.273 0.000 0.509 105 I N 3.937 124.579 120.570 0.119 0.000 2.969 105 I HA 0.814 5.137 4.170 -0.093 -0.208 0.307 105 I C -1.714 174.312 176.117 -0.151 0.000 1.149 105 I CA -1.453 59.815 61.300 -0.053 0.000 1.008 105 I CB 4.587 42.599 38.000 0.021 0.000 1.232 105 I HN 0.659 9.111 8.210 0.402 0.000 0.435 106 K N -0.053 120.234 120.400 -0.188 0.000 2.533 106 K HA 1.081 5.584 4.320 -0.099 -0.243 0.284 106 K C -2.166 174.283 176.600 -0.252 0.000 1.025 106 K CA -2.177 53.975 56.287 -0.224 0.000 0.900 106 K CB 5.349 37.618 32.500 -0.384 0.000 1.519 106 K HN 0.275 8.423 8.250 -0.170 0.000 0.432 107 A N -1.179 121.473 122.820 -0.280 0.000 2.500 107 A HA 0.293 4.553 4.320 -0.273 -0.104 0.291 107 A C -2.492 175.057 177.584 -0.059 0.000 1.048 107 A CA -0.018 51.895 52.037 -0.207 0.000 0.791 107 A CB 2.579 21.517 19.000 -0.102 0.000 1.309 107 A HN 0.078 8.088 8.150 -0.234 0.000 0.397 108 Y N 2.769 123.177 120.300 0.179 0.000 2.417 108 Y HA 0.167 4.922 4.550 0.340 0.000 0.336 108 Y C -0.312 175.691 175.900 0.172 0.000 0.961 108 Y CA -1.449 56.783 58.100 0.219 0.000 1.215 108 Y CB 0.529 39.065 38.460 0.127 0.000 1.120 108 Y HN -0.414 7.704 8.280 -0.096 0.105 0.499 109 R N 3.920 124.627 120.500 0.345 0.000 2.265 109 R HA 0.224 4.621 4.340 0.094 0.000 0.328 109 R C -1.911 174.455 176.300 0.110 0.000 0.969 109 R CA -1.969 54.207 56.100 0.127 0.000 0.832 109 R CB 2.264 32.545 30.300 -0.032 0.000 1.139 109 R HN -0.134 8.431 8.270 0.491 0.000 0.457 110 V N 7.073 127.036 119.914 0.083 0.000 2.495 110 V HA 0.766 4.920 4.120 0.057 0.000 0.298 110 V C 0.339 176.450 176.094 0.029 0.000 1.031 110 V CA -1.578 60.759 62.300 0.061 0.000 0.871 110 V CB 2.441 34.310 31.823 0.078 0.000 0.988 110 V HN 0.639 8.780 8.190 0.094 0.105 0.432 111 Q N 6.354 126.161 119.800 0.012 0.000 2.697 111 Q HA -0.501 3.837 4.340 -0.003 0.000 0.465 111 Q C -0.502 175.506 176.000 0.012 0.000 0.574 111 Q CA 2.867 58.675 55.803 0.008 0.000 1.019 111 Q CB -1.781 26.970 28.738 0.021 0.000 1.623 111 Q HN 0.308 8.585 8.270 0.012 0.000 1.105 112 R N -0.024 120.507 120.500 0.051 0.000 2.419 112 R HA 0.043 4.457 4.340 0.123 0.000 0.235 112 R C -0.358 176.048 176.300 0.177 0.000 0.899 112 R CA 0.133 56.298 56.100 0.108 0.000 1.048 112 R CB 1.111 31.461 30.300 0.084 0.000 1.182 112 R HN 0.025 8.325 8.270 0.050 0.000 0.544 113 E N 3.071 123.351 120.200 0.134 0.000 2.115 113 E HA 0.314 4.906 4.350 0.178 -0.135 0.282 113 E C -1.052 175.663 176.600 0.192 0.000 0.987 113 E CA -1.063 55.432 56.400 0.159 0.000 0.797 113 E CB 1.646 31.405 29.700 0.100 0.000 1.086 113 E HN -0.048 8.368 8.360 0.093 0.000 0.397 114 G N 4.692 113.669 108.800 0.295 0.000 2.552 114 G HA2 0.324 4.536 3.960 0.189 0.000 0.324 114 G HA3 0.324 4.585 3.960 0.501 0.000 0.324 114 G C -2.571 172.447 174.900 0.196 0.000 1.217 114 G CA -1.752 43.519 45.100 0.285 0.000 0.989 114 G HN 1.092 9.478 8.290 0.331 0.102 0.490 115 S N -1.851 113.944 115.700 0.158 0.000 2.607 115 S HA 0.371 5.010 4.470 0.084 -0.119 0.273 115 S C -1.798 172.798 174.600 -0.007 0.000 1.148 115 S CA -0.907 57.352 58.200 0.097 0.000 0.833 115 S CB 2.781 66.095 63.200 0.189 0.000 1.130 115 S HN -0.598 7.803 8.310 0.151 0.000 0.470 116 L N 0.981 122.178 121.223 -0.044 0.000 2.472 116 L HA 0.655 5.152 4.340 -0.151 -0.249 0.260 116 L C -2.476 174.332 176.870 -0.104 0.000 0.963 116 L CA -0.626 54.156 54.840 -0.098 0.000 0.829 116 L CB 4.578 46.607 42.059 -0.051 0.000 1.348 116 L HN 0.083 8.305 8.230 -0.013 0.000 0.408 117 Q N 2.642 122.354 119.800 -0.147 0.000 2.289 117 Q HA 0.321 4.621 4.340 -0.067 0.000 0.270 117 Q C -2.033 173.905 176.000 -0.104 0.000 1.038 117 Q CA -0.985 54.751 55.803 -0.111 0.000 0.812 117 Q CB 4.548 33.203 28.738 -0.138 0.000 1.300 117 Q HN 0.285 8.344 8.270 -0.184 0.101 0.427 118 V N 5.929 125.812 119.914 -0.052 0.000 2.338 118 V HA -0.007 4.219 4.120 -0.024 -0.120 0.255 118 V C 0.459 176.546 176.094 -0.012 0.000 1.082 118 V CA 0.557 62.845 62.300 -0.020 0.000 0.951 118 V CB -0.005 31.827 31.823 0.014 0.000 1.102 118 V HN 0.670 8.838 8.190 -0.037 0.000 0.489 119 G N 9.149 117.921 108.800 -0.047 0.000 2.256 119 G HA2 -0.352 3.609 3.960 0.001 0.000 0.272 119 G HA3 -0.352 3.652 3.960 0.074 0.000 0.272 119 G C -0.559 174.322 174.900 -0.032 0.000 1.076 119 G CA 0.032 45.132 45.100 0.000 0.000 0.882 119 G HN 0.464 8.595 8.290 -0.115 0.090 0.497 120 N N -2.987 115.653 118.700 -0.100 0.000 2.708 120 N HA -0.468 4.245 4.740 -0.045 0.000 0.249 120 N C -0.752 174.758 175.510 -0.000 0.000 1.097 120 N CA 1.442 54.470 53.050 -0.038 0.000 0.710 120 N CB -0.216 38.270 38.487 -0.003 0.000 1.032 120 N HN -0.040 8.229 8.380 -0.185 0.000 0.551 121 E N -1.637 118.558 120.200 -0.007 0.000 2.950 121 E HA 0.068 4.426 4.350 0.014 0.000 0.234 121 E C -1.269 175.332 176.600 0.002 0.000 0.936 121 E CA -1.569 54.835 56.400 0.006 0.000 1.114 121 E CB 2.006 31.713 29.700 0.011 0.000 1.555 121 E HN -0.964 7.357 8.360 -0.025 0.024 0.488 122 A N 0.758 123.578 122.820 -0.000 0.000 2.500 122 A HA -0.089 4.231 4.320 0.000 0.000 0.281 122 A C -1.808 175.770 177.584 -0.010 0.000 1.092 122 A CA -0.445 51.588 52.037 -0.006 0.000 0.909 122 A CB -0.974 18.017 19.000 -0.016 0.000 0.958 122 A HN 0.106 8.257 8.150 0.002 0.000 0.535 123 P HA 0.150 4.785 4.420 -0.018 -0.227 0.280 123 P C -1.542 175.756 177.300 -0.003 0.000 1.244 123 P CA -1.141 61.959 63.100 0.000 0.000 0.784 123 P CB 0.970 32.691 31.700 0.036 0.000 0.913 124 I N 5.157 125.718 120.570 -0.014 0.000 2.312 124 I HA 0.168 4.328 4.170 -0.017 0.000 0.290 124 I C -0.783 175.334 176.117 -0.000 0.000 1.008 124 I CA -1.576 59.715 61.300 -0.016 0.000 1.226 124 I CB 0.546 38.527 38.000 -0.031 0.000 1.371 124 I HN 0.632 8.723 8.210 -0.023 0.105 0.468 125 T N 2.439 116.999 114.554 0.010 0.000 2.927 125 T HA 0.457 4.931 4.350 0.046 -0.096 0.286 125 T C -0.792 173.916 174.700 0.013 0.000 1.040 125 T CA -2.813 59.306 62.100 0.031 0.000 1.010 125 T CB 2.895 71.793 68.868 0.050 0.000 1.177 125 T HN 0.007 8.249 8.240 0.004 0.000 0.546 126 G N -2.211 106.606 108.800 0.029 0.000 2.556 126 G HA2 0.114 4.073 3.960 -0.002 0.000 0.294 126 G HA3 0.114 4.045 3.960 -0.048 0.000 0.294 126 G C -3.210 171.713 174.900 0.037 0.000 1.516 126 G CA 0.577 45.676 45.100 -0.002 0.000 0.824 126 G HN -0.177 8.154 8.290 0.068 0.000 0.535 127 S N 0.374 116.090 115.700 0.026 0.000 2.627 127 S HA 0.838 5.601 4.470 0.172 -0.190 0.283 127 S C -1.131 173.495 174.600 0.043 0.000 1.127 127 S CA -1.232 57.018 58.200 0.083 0.000 0.863 127 S CB 4.027 67.273 63.200 0.077 0.000 1.121 127 S HN 0.064 8.374 8.310 0.001 0.000 0.479 128 S N 1.588 117.342 115.700 0.091 0.000 2.652 128 S HA 0.304 4.779 4.470 0.008 0.000 0.270 128 S C -0.798 173.824 174.600 0.038 0.000 1.243 128 S CA -2.104 56.128 58.200 0.053 0.000 0.999 128 S CB 0.285 63.551 63.200 0.110 0.000 0.973 128 S HN 0.492 8.760 8.310 0.158 0.137 0.544 129 P HA 0.029 4.457 4.420 0.014 0.000 0.235 129 P C -1.166 176.146 177.300 0.020 0.000 1.720 129 P CA -0.377 62.732 63.100 0.015 0.000 1.003 129 P CB -1.536 30.168 31.700 0.007 0.000 1.968 130 L N -4.871 116.369 121.223 0.029 0.000 4.413 130 L HA -0.343 4.017 4.340 0.034 0.000 0.499 130 L C -0.534 176.348 176.870 0.020 0.000 1.023 130 L CA 0.584 55.440 54.840 0.027 0.000 0.676 130 L CB -2.311 39.761 42.059 0.022 0.000 1.640 130 L HN 0.115 8.289 8.230 0.034 0.076 0.760 131 G N -3.275 105.537 108.800 0.020 0.000 3.088 131 G HA2 -0.035 3.931 3.960 0.010 0.000 0.217 131 G HA3 -0.035 3.930 3.960 0.010 0.000 0.217 131 G C -0.990 173.917 174.900 0.011 0.000 1.159 131 G CA -0.137 44.970 45.100 0.012 0.000 0.760 131 G HN 0.022 8.316 8.290 0.027 0.012 0.550 132 A N -0.340 122.490 122.820 0.016 0.000 2.893 132 A HA 0.171 4.495 4.320 0.007 0.000 0.298 132 A C -1.151 176.440 177.584 0.013 0.000 1.227 132 A CA 0.096 52.140 52.037 0.011 0.000 0.845 132 A CB 0.604 19.609 19.000 0.008 0.000 1.430 132 A HN -0.672 7.426 8.150 0.023 0.066 0.493 133 T N 0.830 115.391 114.554 0.011 0.000 3.219 133 T HA -0.046 4.312 4.350 0.013 0.000 0.249 133 T C -0.417 174.286 174.700 0.005 0.000 1.099 133 T CA 0.981 63.087 62.100 0.011 0.000 0.988 133 T CB 0.092 68.967 68.868 0.012 0.000 0.999 133 T HN 0.100 8.346 8.240 0.010 0.000 0.550 134 Q N 0.081 119.883 119.800 0.003 0.000 2.786 134 Q HA 0.236 4.575 4.340 -0.000 0.000 0.240 134 Q C -1.522 174.478 176.000 0.000 0.000 0.928 134 Q CA -0.705 55.099 55.803 0.001 0.000 0.721 134 Q CB 1.003 29.743 28.738 0.004 0.000 1.318 134 Q HN -0.293 7.886 8.270 0.004 0.094 0.474 135 L N -0.122 121.099 121.223 -0.004 0.000 2.358 135 L HA 0.380 4.720 4.340 0.001 0.000 0.268 135 L C -1.531 175.341 176.870 0.003 0.000 1.032 135 L CA -0.745 54.094 54.840 -0.002 0.000 0.805 135 L CB 2.152 44.203 42.059 -0.013 0.000 1.253 135 L HN -0.383 7.842 8.230 -0.008 0.000 0.452 136 D N 0.256 120.664 120.400 0.012 0.000 2.542 136 D HA 0.292 4.938 4.640 0.011 0.000 0.252 136 D C -1.307 175.008 176.300 0.025 0.000 1.222 136 D CA -0.270 53.740 54.000 0.017 0.000 0.895 136 D CB 2.987 43.801 40.800 0.022 0.000 1.207 136 D HN 0.104 8.484 8.370 0.016 0.000 0.558 137 T N 3.354 117.921 114.554 0.020 0.000 2.909 137 T HA 0.677 5.309 4.350 0.038 -0.259 0.299 137 T C -0.934 173.782 174.700 0.028 0.000 1.073 137 T CA -2.570 59.546 62.100 0.026 0.000 0.999 137 T CB 2.343 71.218 68.868 0.012 0.000 1.098 137 T HN 0.417 8.665 8.240 0.012 0.000 0.477 138 D N 3.928 124.355 120.400 0.046 0.000 2.413 138 D HA 0.025 4.689 4.640 0.040 0.000 0.237 138 D C 1.027 177.348 176.300 0.035 0.000 1.171 138 D CA -1.050 52.981 54.000 0.052 0.000 0.839 138 D CB -0.512 40.346 40.800 0.097 0.000 0.950 138 D HN -0.084 8.321 8.370 0.058 0.000 0.499 139 G N -2.486 106.322 108.800 0.013 0.000 2.200 139 G HA2 -0.447 3.506 3.960 -0.011 0.000 0.267 139 G HA3 -0.447 3.502 3.960 -0.019 0.000 0.267 139 G C -0.303 174.600 174.900 0.005 0.000 0.993 139 G CA 0.401 45.498 45.100 -0.005 0.000 0.701 139 G HN -0.440 7.744 8.290 0.012 0.113 0.524 140 A N 0.211 123.037 122.820 0.010 0.000 2.433 140 A HA -0.104 4.192 4.320 -0.040 0.000 0.250 140 A C -1.069 176.500 177.584 -0.024 0.000 1.113 140 A CA 0.455 52.473 52.037 -0.033 0.000 0.794 140 A CB 1.186 20.155 19.000 -0.053 0.000 1.067 140 A HN -0.164 8.209 8.150 0.023 -0.209 0.510 141 L N -2.219 118.946 121.223 -0.096 0.000 2.612 141 L HA 0.305 4.690 4.340 0.075 0.000 0.256 141 L C -2.727 173.991 176.870 -0.253 0.000 0.949 141 L CA 0.780 55.603 54.840 -0.028 0.000 0.867 141 L CB 4.318 46.379 42.059 0.004 0.000 1.417 141 L HN 0.007 8.077 8.230 -0.267 0.000 0.414 142 W N 2.132 123.363 121.300 -0.115 0.000 2.756 142 W HA 0.768 5.674 4.660 -0.095 -0.303 0.333 142 W C -1.998 174.529 176.519 0.013 0.000 1.025 142 W CA -1.617 55.719 57.345 -0.014 0.000 1.246 142 W CB 2.303 31.898 29.460 0.224 0.000 1.358 142 W HN 0.449 8.787 8.180 0.264 0.000 0.444 143 L N 3.142 124.407 121.223 0.070 0.000 2.406 143 L HA 0.794 5.359 4.340 0.141 -0.141 0.272 143 L C -0.300 176.690 176.870 0.199 0.000 0.980 143 L CA -1.078 53.817 54.840 0.092 0.000 0.831 143 L CB 2.747 44.787 42.059 -0.032 0.000 1.253 143 L HN -0.130 8.015 8.230 -0.142 0.000 0.406 144 G N 2.955 111.858 108.800 0.170 0.000 2.227 144 G HA2 -0.237 3.724 3.960 0.002 0.000 0.168 144 G HA3 -0.237 4.075 3.960 0.587 0.000 0.168 144 G C -1.303 173.763 174.900 0.275 0.000 1.006 144 G CA -0.062 45.176 45.100 0.229 0.000 0.684 144 G HN 0.872 9.103 8.290 0.116 0.128 0.489 145 G N -1.876 107.049 108.800 0.209 0.000 2.295 145 G HA2 -0.095 3.860 3.960 -0.010 0.000 0.155 145 G HA3 -0.095 3.969 3.960 0.172 0.000 0.155 145 G C -2.452 172.566 174.900 0.197 0.000 1.307 145 G CA 0.015 45.197 45.100 0.137 0.000 1.140 145 G HN -0.788 7.630 8.290 0.214 0.000 0.470 146 M N -0.347 119.358 119.600 0.174 0.000 2.366 146 M HA 0.172 4.842 4.480 0.316 0.000 0.287 146 M C -0.650 175.669 176.300 0.031 0.000 1.083 146 M CA -1.637 53.747 55.300 0.140 0.000 0.934 146 M CB 3.161 35.729 32.600 -0.054 0.000 1.852 146 M HN -0.100 8.276 8.290 0.144 0.000 0.502 147 E N 3.622 123.797 120.200 -0.040 0.000 2.077 147 E HA -0.232 3.985 4.350 -0.223 0.000 0.193 147 E C 0.413 176.926 176.600 -0.144 0.000 0.989 147 E CA 2.673 58.939 56.400 -0.223 0.000 0.800 147 E CB 0.281 29.707 29.700 -0.457 0.000 0.746 147 E HN 0.332 8.746 8.360 0.090 0.000 0.452 148 R N -1.183 119.225 120.500 -0.153 0.000 3.301 148 R HA 0.212 4.481 4.340 -0.119 0.000 0.286 148 R C -0.457 175.724 176.300 -0.199 0.000 1.386 148 R CA -1.860 54.149 56.100 -0.152 0.000 1.607 148 R CB -1.012 29.196 30.300 -0.153 0.000 1.305 148 R HN -0.277 7.892 8.270 -0.169 0.000 0.637 149 L N 4.923 126.053 121.223 -0.155 0.000 3.062 149 L HA 0.012 4.199 4.340 -0.255 0.000 0.264 149 L C -0.674 176.082 176.870 -0.190 0.000 1.242 149 L CA -1.371 53.367 54.840 -0.171 0.000 1.072 149 L CB -1.913 40.110 42.059 -0.059 0.000 1.420 149 L HN 0.472 8.636 8.230 -0.110 0.000 0.412 150 S N -0.554 115.011 115.700 -0.225 0.000 2.603 150 S HA -0.117 4.256 4.470 -0.161 0.000 0.220 150 S C 1.099 175.521 174.600 -0.295 0.000 0.967 150 S CA 1.477 59.554 58.200 -0.204 0.000 0.920 150 S CB 0.071 63.177 63.200 -0.157 0.000 0.773 150 S HN 0.287 8.324 8.310 -0.238 0.130 0.529 151 V N 0.722 120.351 119.914 -0.475 0.000 3.052 151 V HA -0.183 3.540 4.120 -0.663 0.000 0.254 151 V C 0.267 176.010 176.094 -0.585 0.000 1.100 151 V CA -0.392 61.453 62.300 -0.759 0.000 1.112 151 V CB 0.107 31.022 31.823 -1.514 0.000 0.738 151 V HN -0.786 7.014 8.190 -0.481 0.101 0.469 152 A N -2.669 119.892 122.820 -0.430 0.000 2.054 152 A HA -0.358 3.339 4.320 -1.038 0.000 0.223 152 A C -0.114 177.246 177.584 -0.372 0.000 1.169 152 A CA 2.278 53.958 52.037 -0.595 0.000 0.655 152 A CB -0.026 18.750 19.000 -0.373 0.000 0.812 152 A HN -0.618 7.330 8.150 -0.335 0.000 0.462 153 H N -6.233 112.624 119.070 -0.355 0.000 4.588 153 H HA -0.358 4.113 4.556 -0.142 0.000 0.077 153 H C 0.023 175.253 175.328 -0.164 0.000 0.621 153 H CA 2.519 58.446 56.048 -0.203 0.000 0.984 153 H CB -1.229 28.438 29.762 -0.158 0.000 0.679 153 H HN -0.323 7.779 8.280 -0.211 0.051 0.825 154 K N -0.095 120.266 120.400 -0.065 0.000 2.588 154 K HA 0.187 4.441 4.320 -0.111 0.000 0.216 154 K C 0.064 176.609 176.600 -0.091 0.000 1.382 154 K CA 0.153 56.385 56.287 -0.092 0.000 1.008 154 K CB 1.487 33.950 32.500 -0.062 0.000 1.138 154 K HN -0.026 8.215 8.250 -0.014 0.000 0.619 155 L N 1.012 122.153 121.223 -0.137 0.000 2.473 155 L HA 0.069 4.363 4.340 -0.076 0.000 0.280 155 L C -1.113 175.716 176.870 -0.068 0.000 1.266 155 L CA -0.547 54.221 54.840 -0.120 0.000 0.824 155 L CB -2.126 39.791 42.059 -0.238 0.000 1.091 155 L HN -0.777 7.345 8.230 -0.181 0.000 0.534 156 P HA 0.093 4.510 4.420 -0.006 0.000 0.296 156 P C 0.434 177.758 177.300 0.040 0.000 1.295 156 P CA -0.969 62.136 63.100 0.007 0.000 0.754 156 P CB 0.881 32.592 31.700 0.017 0.000 1.311 157 K N -2.581 117.843 120.400 0.041 0.000 2.520 157 K HA -0.444 3.906 4.320 0.050 0.000 0.197 157 K C 1.758 178.418 176.600 0.100 0.000 1.043 157 K CA 2.759 59.079 56.287 0.056 0.000 0.944 157 K CB -0.619 31.900 32.500 0.033 0.000 0.770 157 K HN 0.455 8.721 8.250 0.026 0.000 0.480 158 A N -0.853 122.047 122.820 0.132 0.000 1.954 158 A HA -0.331 4.041 4.320 0.086 0.000 0.222 158 A C 1.883 179.581 177.584 0.191 0.000 1.199 158 A CA 2.879 55.019 52.037 0.172 0.000 0.657 158 A CB -0.576 18.583 19.000 0.265 0.000 0.823 158 A HN 0.104 8.237 8.150 0.107 0.081 0.463 159 Y N -5.942 114.344 120.300 -0.022 0.000 2.448 159 Y HA -0.098 4.444 4.550 -0.013 0.000 0.289 159 Y C 1.292 177.177 175.900 -0.026 0.000 1.114 159 Y CA 1.468 59.549 58.100 -0.032 0.000 1.235 159 Y CB -0.064 38.351 38.460 -0.076 0.000 1.045 159 Y HN -0.713 7.860 8.280 0.496 0.005 0.554 160 S N -2.577 113.202 115.700 0.132 0.000 2.555 160 S HA -0.155 4.342 4.470 0.045 0.000 0.230 160 S C 0.095 174.720 174.600 0.042 0.000 0.978 160 S CA 2.185 60.420 58.200 0.059 0.000 0.934 160 S CB 0.538 63.762 63.200 0.040 0.000 0.766 160 S HN -0.179 8.109 8.310 0.156 0.116 0.533 161 T N 4.512 119.093 114.554 0.045 0.000 3.250 161 T HA 0.146 4.517 4.350 0.034 0.000 0.391 161 T C -0.895 173.826 174.700 0.035 0.000 1.502 161 T CA -0.626 61.496 62.100 0.036 0.000 1.320 161 T CB 0.582 69.472 68.868 0.036 0.000 1.102 161 T HN -0.007 8.147 8.240 0.059 0.121 0.610 162 G N 4.555 113.382 108.800 0.045 0.000 2.945 162 G HA2 -0.242 3.738 3.960 0.032 0.000 0.248 162 G HA3 -0.242 3.914 3.960 0.104 -0.133 0.248 162 G C -1.522 173.460 174.900 0.136 0.000 1.250 162 G CA 0.111 45.256 45.100 0.076 0.000 0.886 162 G HN -0.167 8.149 8.290 0.044 0.000 0.609 163 F N -0.361 119.572 119.950 -0.027 0.000 2.384 163 F HA 0.125 4.608 4.527 -0.074 0.000 0.338 163 F C -1.548 174.267 175.800 0.024 0.000 1.103 163 F CA -1.172 56.790 58.000 -0.063 0.000 1.157 163 F CB 2.000 40.891 39.000 -0.181 0.000 1.167 163 F HN -0.688 7.761 8.300 0.248 0.000 0.529 164 I N 4.815 125.076 120.570 -0.514 0.000 2.502 164 I HA 0.136 4.075 4.170 -0.418 -0.020 0.276 164 I C -1.641 173.927 176.117 -0.914 0.000 1.057 164 I CA -0.880 60.082 61.300 -0.564 0.000 1.163 164 I CB 0.486 38.383 38.000 -0.171 0.000 1.288 164 I HN 0.131 8.374 8.210 0.055 0.000 0.479 165 G N 3.670 111.662 108.800 -1.347 0.000 2.588 165 G HA2 0.270 4.171 3.960 -0.334 0.000 0.281 165 G HA3 0.270 4.038 3.960 -0.533 -0.128 0.281 165 G C -3.027 171.675 174.900 -0.330 0.000 1.223 165 G CA -0.115 44.554 45.100 -0.718 0.000 0.871 165 G HN -0.504 7.012 8.290 -1.291 0.000 0.492 166 c N 0.123 118.666 118.600 -0.096 0.000 2.507 166 c HA 0.900 5.872 4.570 0.302 -0.221 0.319 166 c C -1.183 173.061 174.090 0.255 0.000 1.208 166 c CA -0.518 55.870 56.329 0.099 0.000 1.619 166 c CB 2.347 44.819 42.510 -0.063 0.000 2.230 166 c HN 0.127 8.186 8.230 -0.074 0.127 0.492 167 I N 2.382 123.293 120.570 0.568 0.000 2.730 167 I HA 0.846 5.604 4.170 0.685 -0.178 0.298 167 I C -2.127 174.311 176.117 0.535 0.000 1.089 167 I CA -0.966 60.682 61.300 0.580 0.000 1.041 167 I CB 4.746 42.881 38.000 0.225 0.000 1.235 167 I HN 0.046 8.630 8.210 0.623 0.000 0.423 168 R N 2.933 123.595 120.500 0.270 0.000 2.690 168 R HA 0.324 4.694 4.340 0.051 0.000 0.269 168 R C -1.970 174.264 176.300 -0.111 0.000 1.037 168 R CA -0.624 55.446 56.100 -0.050 0.000 0.877 168 R CB 4.118 34.141 30.300 -0.461 0.000 1.255 168 R HN 0.534 9.007 8.270 0.338 0.000 0.467 169 D N 1.051 121.387 120.400 -0.106 0.000 2.828 169 D HA -0.289 4.297 4.640 -0.089 0.000 0.241 169 D C -1.949 174.342 176.300 -0.015 0.000 1.142 169 D CA 1.784 55.727 54.000 -0.096 0.000 0.755 169 D CB -1.090 39.597 40.800 -0.189 0.000 1.014 169 D HN 0.200 8.647 8.370 -0.089 -0.131 0.420 170 V N -7.186 112.741 119.914 0.021 0.000 2.378 170 V HA 0.894 5.212 4.120 0.081 -0.148 0.288 170 V C -2.141 173.971 176.094 0.029 0.000 1.016 170 V CA -2.416 59.920 62.300 0.061 0.000 0.840 170 V CB 1.217 33.097 31.823 0.095 0.000 0.994 170 V HN -0.209 7.991 8.190 0.016 0.000 0.431 171 I N 4.476 125.060 120.570 0.023 0.000 2.969 171 I HA 0.690 4.970 4.170 -0.053 -0.142 0.307 171 I C -1.961 174.117 176.117 -0.065 0.000 1.149 171 I CA -2.019 59.262 61.300 -0.031 0.000 1.008 171 I CB 4.561 42.538 38.000 -0.039 0.000 1.232 171 I HN 0.599 8.735 8.210 0.055 0.107 0.435 172 V N 2.124 121.951 119.914 -0.145 0.000 2.447 172 V HA 0.724 4.817 4.120 -0.469 -0.254 0.292 172 V C -0.692 175.220 176.094 -0.303 0.000 1.021 172 V CA -1.849 60.233 62.300 -0.363 0.000 0.850 172 V CB 2.528 34.103 31.823 -0.415 0.000 1.005 172 V HN -0.323 7.795 8.190 -0.120 0.000 0.426 173 D N 7.881 128.119 120.400 -0.270 0.000 2.772 173 D HA -0.318 4.260 4.640 -0.102 0.000 0.233 173 D C -0.845 175.407 176.300 -0.079 0.000 1.143 173 D CA 1.858 55.752 54.000 -0.176 0.000 0.700 173 D CB -1.532 39.108 40.800 -0.266 0.000 1.076 173 D HN 0.313 8.534 8.370 -0.247 0.000 0.430 174 R N -6.427 114.044 120.500 -0.047 0.000 3.651 174 R HA -0.387 3.937 4.340 -0.026 0.000 0.292 174 R C -1.093 175.178 176.300 -0.049 0.000 1.161 174 R CA 1.574 57.655 56.100 -0.031 0.000 0.787 174 R CB -1.361 28.936 30.300 -0.005 0.000 1.249 174 R HN 0.379 8.613 8.270 -0.042 0.011 0.476 175 Q N -2.272 117.480 119.800 -0.081 0.000 2.486 175 Q HA 0.218 4.538 4.340 -0.033 0.000 0.274 175 Q C 0.072 175.987 176.000 -0.142 0.000 1.076 175 Q CA -2.180 53.578 55.803 -0.074 0.000 0.872 175 Q CB 2.371 31.069 28.738 -0.067 0.000 1.383 175 Q HN -0.594 7.557 8.270 -0.101 0.058 0.478 176 E N -2.275 117.830 120.200 -0.159 0.000 3.045 176 E HA -0.418 3.838 4.350 -0.158 0.000 0.350 176 E C 0.529 176.654 176.600 -0.793 0.000 1.445 176 E CA 2.179 58.420 56.400 -0.265 0.000 1.442 176 E CB -1.371 28.308 29.700 -0.034 0.000 1.762 176 E HN 0.500 8.830 8.360 -0.050 0.000 0.524 177 L N -6.652 114.324 121.223 -0.412 0.000 4.739 177 L HA -0.391 3.852 4.340 -0.161 0.000 0.437 177 L C -1.289 175.325 176.870 -0.426 0.000 1.117 177 L CA 1.904 56.516 54.840 -0.380 0.000 0.970 177 L CB -1.670 40.174 42.059 -0.357 0.000 1.965 177 L HN 0.058 8.192 8.230 -0.160 0.000 0.872 178 H N -2.667 116.350 119.070 -0.089 0.000 2.421 178 H HA 0.225 4.721 4.556 -0.101 0.000 0.241 178 H C 0.689 175.882 175.328 -0.225 0.000 1.428 178 H CA -2.224 53.731 56.048 -0.154 0.000 1.136 178 H CB -1.574 28.068 29.762 -0.200 0.000 1.612 178 H HN -0.033 7.818 8.280 -0.571 0.087 0.537 179 L N 0.581 121.799 121.223 -0.009 0.000 2.064 179 L HA -0.462 4.086 4.340 0.346 0.000 0.234 179 L C 1.604 178.477 176.870 0.005 0.000 1.103 179 L CA 3.562 58.466 54.840 0.106 0.000 0.824 179 L CB -0.142 41.988 42.059 0.118 0.000 0.919 179 L HN -0.569 7.603 8.230 0.013 0.066 0.447 180 V N -5.000 114.911 119.914 -0.006 0.000 2.871 180 V HA -0.338 3.787 4.120 0.008 0.000 0.256 180 V C 2.167 178.210 176.094 -0.085 0.000 1.082 180 V CA 2.731 65.020 62.300 -0.019 0.000 1.105 180 V CB -0.883 30.947 31.823 0.011 0.000 0.713 180 V HN -0.152 8.045 8.190 0.011 0.000 0.473 181 E N 0.424 120.547 120.200 -0.127 0.000 2.051 181 E HA -0.290 3.991 4.350 -0.115 0.000 0.192 181 E C 1.391 177.865 176.600 -0.210 0.000 0.991 181 E CA 3.252 59.559 56.400 -0.154 0.000 0.799 181 E CB -0.110 29.498 29.700 -0.152 0.000 0.748 181 E HN -0.104 8.044 8.360 -0.103 0.149 0.449 182 D N -3.214 116.950 120.400 -0.394 0.000 2.367 182 D HA 0.049 4.568 4.640 -0.202 0.000 0.207 182 D C 1.346 177.546 176.300 -0.166 0.000 1.034 182 D CA 1.320 55.104 54.000 -0.360 0.000 0.861 182 D CB 0.833 41.235 40.800 -0.663 0.000 0.943 182 D HN -0.646 7.378 8.370 -0.577 0.000 0.515 183 A N 1.618 124.375 122.820 -0.105 0.000 1.968 183 A HA -0.185 4.243 4.320 0.179 0.000 0.217 183 A C 1.406 178.975 177.584 -0.026 0.000 1.169 183 A CA 2.832 54.912 52.037 0.072 0.000 0.638 183 A CB -0.473 18.588 19.000 0.102 0.000 0.812 183 A HN -0.346 7.535 8.150 -0.232 0.130 0.446 184 L N -2.936 118.262 121.223 -0.040 0.000 2.270 184 L HA -0.367 3.960 4.340 -0.022 0.000 0.217 184 L C 0.809 177.665 176.870 -0.023 0.000 1.107 184 L CA 2.393 57.215 54.840 -0.030 0.000 0.772 184 L CB -1.056 40.981 42.059 -0.036 0.000 0.902 184 L HN -0.580 7.600 8.230 -0.059 0.014 0.439 185 N N -2.594 116.086 118.700 -0.034 0.000 2.430 185 N HA -0.241 4.509 4.740 0.015 0.000 0.186 185 N C 0.166 175.684 175.510 0.013 0.000 1.032 185 N CA 1.595 54.640 53.050 -0.009 0.000 0.893 185 N CB 0.601 39.068 38.487 -0.033 0.000 0.957 185 N HN -0.681 7.500 8.380 -0.050 0.168 0.442 186 N N -0.027 118.653 118.700 -0.034 0.000 2.413 186 N HA 0.266 5.081 4.740 0.125 0.000 0.266 186 N C -1.438 174.099 175.510 0.045 0.000 1.238 186 N CA -2.088 50.972 53.050 0.017 0.000 0.972 186 N CB 0.806 39.244 38.487 -0.082 0.000 1.210 186 N HN 0.014 8.155 8.380 -0.058 0.205 0.547 187 P HA 0.125 4.569 4.420 0.039 0.000 0.216 187 P C -0.663 176.644 177.300 0.012 0.000 1.151 187 P CA 0.938 64.064 63.100 0.044 0.000 0.863 187 P CB 0.663 32.398 31.700 0.060 0.000 0.790 188 T N 0.572 115.128 114.554 0.002 0.000 2.885 188 T HA 0.168 4.501 4.350 -0.028 0.000 0.285 188 T C -1.112 173.555 174.700 -0.055 0.000 1.019 188 T CA -0.393 61.691 62.100 -0.027 0.000 1.010 188 T CB 2.058 70.912 68.868 -0.024 0.000 1.022 188 T HN -0.411 7.840 8.240 0.018 0.000 0.466 189 I N 2.540 123.071 120.570 -0.066 0.000 2.533 189 I HA 0.067 4.170 4.170 -0.111 0.000 0.290 189 I C -1.330 174.737 176.117 -0.083 0.000 1.056 189 I CA -0.078 61.177 61.300 -0.075 0.000 1.057 189 I CB 2.281 40.260 38.000 -0.034 0.000 1.240 189 I HN 0.158 8.330 8.210 -0.063 0.000 0.423 190 L N 5.531 126.715 121.223 -0.065 0.000 2.286 190 L HA 0.392 4.666 4.340 -0.110 0.000 0.265 190 L C -0.631 176.366 176.870 0.211 0.000 1.012 190 L CA -1.012 53.812 54.840 -0.028 0.000 0.818 190 L CB 3.172 45.204 42.059 -0.044 0.000 1.337 190 L HN 0.453 8.616 8.230 -0.111 0.000 0.438 191 H N -1.207 117.873 119.070 0.016 0.000 2.570 191 H HA 0.487 5.296 4.556 0.078 -0.206 0.268 191 H C -0.250 175.140 175.328 0.103 0.000 1.175 191 H CA -1.337 54.750 56.048 0.065 0.000 1.686 191 H CB 1.507 31.302 29.762 0.054 0.000 1.456 191 H HN 0.198 8.550 8.280 0.119 0.000 0.592 192 c N -5.241 113.504 118.600 0.242 0.000 3.167 192 c HA 0.170 4.812 4.570 0.120 0.000 0.348 192 c C -1.813 172.343 174.090 0.109 0.000 1.394 192 c CA -1.072 55.351 56.329 0.157 0.000 1.204 192 c CB 1.869 44.502 42.510 0.205 0.000 1.467 192 c HN -0.246 8.144 8.230 0.267 0.000 0.446 193 S N 0.326 116.068 115.700 0.071 0.000 2.709 193 S HA 0.325 4.830 4.470 0.058 0.000 0.302 193 S C -0.748 173.882 174.600 0.051 0.000 1.127 193 S CA -0.541 57.690 58.200 0.051 0.000 0.905 193 S CB 2.234 65.448 63.200 0.024 0.000 1.151 193 S HN 0.563 8.905 8.310 0.054 0.000 0.510 194 A N 0.166 123.013 122.820 0.045 0.000 3.115 194 A HA -0.190 4.154 4.320 0.039 0.000 0.255 194 A C -1.329 176.292 177.584 0.061 0.000 1.380 194 A CA 0.967 53.032 52.037 0.047 0.000 0.806 194 A CB -1.509 17.517 19.000 0.043 0.000 1.044 194 A HN 0.421 8.594 8.150 0.039 0.000 0.589 195 K N 0.000 120.438 120.400 0.063 0.000 2.780 195 K HA 0.000 4.363 4.320 0.072 0.000 0.191 195 K CA 0.000 56.328 56.287 0.068 0.000 0.838 195 K CB 0.000 32.552 32.500 0.087 0.000 1.064 195 K HN 0.000 8.285 8.250 0.058 0.000 0.543