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 1xxe_1_A DATA FIRST_RESID 3 DATA SEQUENCE LEKTVKEKLS FEGVGIHTGE YSKLIIHPEK EGTGIRFFKN GVYIPARHEF DATA SEQUENCE VVHTNHSTDL GFKGQRIKTV EHILSVLHLL EITNVTIEVI GNEIPILDGS DATA SEQUENCE GWEFYEAIRK NILNQNREID YFVVEEPIIV EDEGRLIKAE PSDTLEVTYE DATA SEQUENCE GEFKNFLGRQ KFTFVEGNEE EIVLARTFCF DWEIEHIKKV GLGKGGSLKN DATA SEQUENCE TLVLGKDKVY NPEGLRYENE PVRHKVFDLI GDLYLLGSPV KGKFYSFRGG DATA SEQUENCE HSLNVKLVKE LAKKQKLT 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 3 L HA 0.000 4.356 4.340 0.027 0.000 0.249 3 L C 0.000 176.898 176.870 0.047 0.000 1.165 3 L CA 0.000 54.871 54.840 0.052 0.000 0.813 3 L CB 0.000 42.082 42.059 0.038 0.000 0.961 4 E N -0.475 119.736 120.200 0.019 0.000 2.502 4 E HA -0.214 4.152 4.350 0.026 0.000 0.261 4 E C -0.933 175.687 176.600 0.034 0.000 0.974 4 E CA 1.527 57.939 56.400 0.020 0.000 0.936 4 E CB 0.463 30.164 29.700 0.001 0.000 0.926 4 E HN 0.238 8.486 8.360 0.003 0.114 0.459 5 K N 4.380 124.807 120.400 0.045 0.000 2.292 5 K HA 0.638 5.115 4.320 0.034 -0.136 0.257 5 K C -0.894 175.724 176.600 0.030 0.000 0.940 5 K CA -1.232 55.080 56.287 0.042 0.000 0.811 5 K CB 3.536 36.071 32.500 0.059 0.000 1.120 5 K HN -0.144 8.138 8.250 0.053 0.000 0.428 6 T N 4.308 118.873 114.554 0.018 0.000 2.864 6 T HA 0.591 5.070 4.350 0.013 -0.120 0.289 6 T C -1.900 172.803 174.700 0.004 0.000 1.082 6 T CA -3.025 59.082 62.100 0.011 0.000 1.009 6 T CB 2.774 71.645 68.868 0.006 0.000 1.234 6 T HN 0.522 8.772 8.240 0.016 0.000 0.526 7 V N -0.670 119.243 119.914 -0.001 0.000 2.530 7 V HA 0.218 4.464 4.120 -0.009 -0.131 0.282 7 V C -0.599 175.482 176.094 -0.021 0.000 1.048 7 V CA -0.712 61.581 62.300 -0.012 0.000 0.997 7 V CB 0.018 31.831 31.823 -0.017 0.000 0.987 7 V HN 0.439 8.629 8.190 0.001 0.000 0.477 8 K N 6.374 126.760 120.400 -0.024 0.000 2.026 8 K HA -0.256 4.053 4.320 -0.019 0.000 0.208 8 K C 0.150 176.728 176.600 -0.038 0.000 1.048 8 K CA 2.462 58.733 56.287 -0.026 0.000 0.929 8 K CB 0.587 33.072 32.500 -0.026 0.000 0.713 8 K HN 0.912 9.030 8.250 -0.023 0.118 0.439 9 E N -1.614 118.553 120.200 -0.054 0.000 2.336 9 E HA 0.132 4.439 4.350 -0.072 0.000 0.267 9 E C -1.371 175.152 176.600 -0.128 0.000 0.906 9 E CA -1.457 54.895 56.400 -0.079 0.000 0.781 9 E CB 2.610 32.268 29.700 -0.070 0.000 1.261 9 E HN -0.651 7.678 8.360 -0.051 0.000 0.436 10 K N 1.770 122.048 120.400 -0.202 0.000 2.489 10 K HA -0.108 4.116 4.320 -0.429 -0.161 0.278 10 K C -0.831 175.633 176.600 -0.226 0.000 1.000 10 K CA 0.691 56.760 56.287 -0.363 0.000 1.012 10 K CB 0.342 32.501 32.500 -0.568 0.000 0.903 10 K HN 0.138 8.284 8.250 -0.174 0.000 0.485 11 L N 4.935 126.048 121.223 -0.183 0.000 2.301 11 L HA 0.347 4.583 4.340 -0.172 0.000 0.264 11 L C -1.791 175.015 176.870 -0.107 0.000 1.016 11 L CA -0.904 53.860 54.840 -0.127 0.000 0.821 11 L CB 3.724 45.781 42.059 -0.002 0.000 1.346 11 L HN -0.096 8.013 8.230 -0.201 0.000 0.429 12 S N -1.539 114.010 115.700 -0.253 0.000 2.547 12 S HA 0.794 5.493 4.470 0.087 -0.177 0.270 12 S C -1.315 173.030 174.600 -0.426 0.000 1.150 12 S CA -0.671 57.450 58.200 -0.132 0.000 0.850 12 S CB 2.943 66.105 63.200 -0.064 0.000 1.118 12 S HN -0.005 8.023 8.310 -0.470 0.000 0.461 13 F N 0.558 120.607 119.950 0.165 0.000 2.629 13 F HA 0.407 5.006 4.527 0.121 0.000 0.316 13 F C -1.992 173.921 175.800 0.189 0.000 1.081 13 F CA -1.030 57.079 58.000 0.182 0.000 0.954 13 F CB 4.961 44.157 39.000 0.326 0.000 1.337 13 F HN 0.579 9.080 8.300 0.334 0.000 0.474 14 E N -0.624 119.800 120.200 0.374 0.000 2.321 14 E HA 0.886 5.645 4.350 0.416 -0.159 0.278 14 E C -1.490 175.286 176.600 0.293 0.000 0.902 14 E CA -1.249 55.363 56.400 0.354 0.000 0.758 14 E CB 3.907 33.773 29.700 0.277 0.000 1.213 14 E HN 0.176 8.758 8.360 0.369 0.000 0.426 15 G N -0.017 108.986 108.800 0.339 0.000 2.377 15 G HA2 -0.050 4.013 3.960 0.171 0.000 0.297 15 G HA3 -0.050 4.017 3.960 0.178 0.000 0.297 15 G C -2.531 172.513 174.900 0.239 0.000 1.547 15 G CA 0.105 45.342 45.100 0.227 0.000 0.833 15 G HN 0.265 8.828 8.290 0.455 0.000 0.583 16 V N 0.188 120.202 119.914 0.167 0.000 3.237 16 V HA 0.249 4.685 4.120 0.172 -0.212 0.305 16 V C 0.070 176.205 176.094 0.068 0.000 1.096 16 V CA -1.027 61.351 62.300 0.129 0.000 1.130 16 V CB 2.190 34.065 31.823 0.087 0.000 1.048 16 V HN 0.198 8.464 8.190 0.126 0.000 0.484 17 G N 2.550 111.368 108.800 0.030 0.000 2.367 17 G HA2 0.349 4.289 3.960 -0.034 0.000 0.314 17 G HA3 0.349 4.286 3.960 -0.039 0.000 0.314 17 G C -0.573 174.287 174.900 -0.068 0.000 1.130 17 G CA -1.447 43.635 45.100 -0.030 0.000 0.864 17 G HN -0.359 8.033 8.290 0.041 -0.078 0.486 18 I N 5.101 125.572 120.570 -0.166 0.000 2.127 18 I HA -0.499 3.610 4.170 -0.102 0.000 0.241 18 I C 0.292 176.328 176.117 -0.135 0.000 1.075 18 I CA 3.126 64.299 61.300 -0.211 0.000 1.334 18 I CB 0.546 38.303 38.000 -0.404 0.000 1.040 18 I HN 0.638 8.732 8.210 -0.193 0.000 0.405 19 H N -2.860 116.194 119.070 -0.026 0.000 2.431 19 H HA -0.067 4.647 4.556 -0.023 -0.171 0.295 19 H C 2.611 177.928 175.328 -0.019 0.000 1.038 19 H CA 2.746 58.780 56.048 -0.024 0.000 1.360 19 H CB -0.436 29.311 29.762 -0.025 0.000 1.433 19 H HN 0.416 8.392 8.280 -0.506 0.000 0.536 20 T N -0.762 113.840 114.554 0.079 0.000 2.896 20 T HA -0.187 4.190 4.350 0.045 0.000 0.263 20 T C 1.288 176.005 174.700 0.029 0.000 1.050 20 T CA 2.293 64.417 62.100 0.040 0.000 1.140 20 T CB -0.114 68.760 68.868 0.010 0.000 0.877 20 T HN -0.177 8.083 8.240 0.034 0.000 0.457 21 G N 1.222 110.036 108.800 0.023 0.000 2.198 21 G HA2 -0.412 3.645 3.960 0.026 0.000 0.260 21 G HA3 -0.412 3.565 3.960 0.028 0.000 0.260 21 G C -1.429 173.495 174.900 0.040 0.000 1.025 21 G CA 0.435 45.552 45.100 0.028 0.000 0.769 21 G HN -0.308 7.867 8.290 0.010 0.121 0.507 22 E N -2.210 118.014 120.200 0.039 0.000 2.244 22 E HA 0.208 4.601 4.350 0.071 0.000 0.266 22 E C -1.163 175.495 176.600 0.097 0.000 0.914 22 E CA -1.611 54.822 56.400 0.055 0.000 0.794 22 E CB 2.898 32.608 29.700 0.015 0.000 1.210 22 E HN -0.471 7.874 8.360 0.024 0.030 0.414 23 Y N 2.594 122.903 120.300 0.016 0.000 2.465 23 Y HA 0.010 4.577 4.550 0.028 0.000 0.331 23 Y C -1.516 174.402 175.900 0.031 0.000 1.102 23 Y CA -0.795 57.320 58.100 0.025 0.000 1.358 23 Y CB 0.189 38.664 38.460 0.025 0.000 1.213 23 Y HN 0.171 8.580 8.280 0.215 0.000 0.525 24 S N 7.538 123.060 115.700 -0.296 0.000 2.595 24 S HA 0.413 4.538 4.470 -0.712 -0.082 0.281 24 S C -2.394 172.071 174.600 -0.224 0.000 1.117 24 S CA -1.272 56.655 58.200 -0.455 0.000 0.873 24 S CB 2.311 65.425 63.200 -0.142 0.000 1.108 24 S HN 0.013 8.464 8.310 0.234 0.000 0.477 25 K N 3.558 123.863 120.400 -0.158 0.000 2.469 25 K HA 0.776 5.381 4.320 0.246 -0.138 0.254 25 K C -2.360 174.318 176.600 0.130 0.000 0.939 25 K CA -1.209 55.146 56.287 0.115 0.000 0.812 25 K CB 4.242 36.842 32.500 0.166 0.000 1.301 25 K HN 0.086 8.199 8.250 -0.227 0.000 0.433 26 L N 2.118 123.475 121.223 0.224 0.000 2.381 26 L HA 1.041 5.697 4.340 0.178 -0.209 0.268 26 L C -1.071 175.939 176.870 0.234 0.000 0.997 26 L CA -1.944 53.032 54.840 0.225 0.000 0.818 26 L CB 3.224 45.439 42.059 0.261 0.000 1.310 26 L HN 0.462 8.869 8.230 0.294 0.000 0.416 27 I N 0.193 120.887 120.570 0.206 0.000 2.498 27 I HA 0.562 4.966 4.170 0.152 -0.142 0.290 27 I C -1.237 175.000 176.117 0.199 0.000 1.032 27 I CA -1.241 60.171 61.300 0.187 0.000 1.073 27 I CB 3.373 41.491 38.000 0.196 0.000 1.251 27 I HN 0.673 8.899 8.210 0.204 0.107 0.426 28 I N 4.637 125.286 120.570 0.131 0.000 2.433 28 I HA 0.596 5.055 4.170 0.136 -0.208 0.292 28 I C -0.943 175.163 176.117 -0.019 0.000 1.001 28 I CA -1.626 59.733 61.300 0.098 0.000 1.119 28 I CB 2.033 40.086 38.000 0.088 0.000 1.289 28 I HN 0.876 9.016 8.210 0.067 0.110 0.438 29 H N 6.318 125.389 119.070 0.001 0.000 2.747 29 H HA 0.533 5.083 4.556 -0.010 0.000 0.371 29 H C -2.334 172.986 175.328 -0.014 0.000 1.161 29 H CA -2.292 53.747 56.048 -0.014 0.000 1.167 29 H CB 3.300 33.042 29.762 -0.034 0.000 1.732 29 H HN 0.172 8.565 8.280 0.188 0.000 0.544 30 P HA 0.253 4.686 4.420 0.021 0.000 0.272 30 P C -0.850 176.476 177.300 0.043 0.000 1.223 30 P CA -0.009 63.114 63.100 0.040 0.000 0.784 30 P CB 0.952 32.665 31.700 0.023 0.000 0.923 31 E N -0.032 120.178 120.200 0.018 0.000 2.447 31 E HA 0.234 4.589 4.350 0.008 0.000 0.258 31 E C -1.392 175.204 176.600 -0.006 0.000 0.916 31 E CA -2.524 53.878 56.400 0.004 0.000 0.846 31 E CB 3.755 33.451 29.700 -0.007 0.000 1.517 31 E HN -0.350 8.016 8.360 0.011 0.000 0.418 32 K N 0.678 121.068 120.400 -0.017 0.000 2.144 32 K HA 0.091 4.403 4.320 -0.014 0.000 0.270 32 K C -0.144 176.443 176.600 -0.022 0.000 1.005 32 K CA -0.734 55.542 56.287 -0.019 0.000 0.932 32 K CB 1.238 33.722 32.500 -0.026 0.000 1.021 32 K HN -0.003 8.233 8.250 -0.023 0.000 0.462 33 E N 2.064 122.253 120.200 -0.019 0.000 2.492 33 E HA -0.273 4.152 4.350 -0.016 -0.084 0.266 33 E C 1.232 177.815 176.600 -0.029 0.000 1.047 33 E CA 2.095 58.483 56.400 -0.020 0.000 0.968 33 E CB 0.161 29.850 29.700 -0.018 0.000 0.960 33 E HN 0.326 8.677 8.360 -0.016 0.000 0.452 34 G N 1.123 109.903 108.800 -0.033 0.000 2.233 34 G HA2 -0.351 3.582 3.960 -0.046 0.000 0.270 34 G HA3 -0.351 3.584 3.960 -0.042 0.000 0.270 34 G C 0.150 175.020 174.900 -0.049 0.000 1.011 34 G CA 1.130 46.205 45.100 -0.042 0.000 0.762 34 G HN 0.791 9.079 8.290 -0.029 -0.016 0.511 35 T N 1.172 115.697 114.554 -0.048 0.000 2.894 35 T HA -0.172 4.140 4.350 -0.064 0.000 0.258 35 T C -0.137 174.516 174.700 -0.078 0.000 1.043 35 T CA 3.907 65.970 62.100 -0.061 0.000 1.141 35 T CB 1.394 70.231 68.868 -0.052 0.000 0.873 35 T HN 0.026 8.540 8.240 -0.040 -0.298 0.449 36 G N -1.469 107.285 108.800 -0.075 0.000 2.610 36 G HA2 -0.292 3.681 3.960 -0.091 0.000 0.304 36 G HA3 -0.292 3.594 3.960 -0.123 0.000 0.304 36 G C -2.530 172.296 174.900 -0.122 0.000 1.309 36 G CA -0.863 44.176 45.100 -0.103 0.000 0.906 36 G HN -0.478 7.964 8.290 -0.057 -0.186 0.521 37 I N 0.437 120.906 120.570 -0.169 0.000 2.315 37 I HA 0.477 4.669 4.170 -0.209 -0.147 0.291 37 I C -0.827 175.072 176.117 -0.364 0.000 1.006 37 I CA -2.196 58.959 61.300 -0.242 0.000 1.265 37 I CB -1.040 36.833 38.000 -0.212 0.000 1.387 37 I HN 0.240 8.340 8.210 -0.184 0.000 0.475 38 R N 3.746 124.010 120.500 -0.394 0.000 2.725 38 R HA 0.492 4.600 4.340 -0.387 0.000 0.277 38 R C -2.087 173.965 176.300 -0.415 0.000 0.987 38 R CA -2.084 53.807 56.100 -0.349 0.000 0.901 38 R CB 3.475 33.714 30.300 -0.102 0.000 1.207 38 R HN 0.165 8.238 8.270 -0.328 0.000 0.463 39 F N -0.796 119.168 119.950 0.023 0.000 2.425 39 F HA 0.734 5.520 4.527 0.073 -0.215 0.331 39 F C -0.843 175.016 175.800 0.098 0.000 1.085 39 F CA -1.514 56.518 58.000 0.053 0.000 1.028 39 F CB 3.219 42.221 39.000 0.004 0.000 1.177 39 F HN 0.201 8.394 8.300 0.008 0.112 0.487 40 F N 2.079 122.090 119.950 0.102 0.000 2.556 40 F HA 0.921 5.533 4.527 -0.205 -0.208 0.314 40 F C -2.289 173.460 175.800 -0.085 0.000 1.106 40 F CA -1.925 55.998 58.000 -0.129 0.000 0.911 40 F CB 4.255 43.088 39.000 -0.278 0.000 1.190 40 F HN 0.145 8.691 8.300 0.410 0.000 0.448 41 K N 5.232 125.024 120.400 -1.014 0.000 2.589 41 K HA 0.052 4.151 4.320 -0.369 0.000 0.265 41 K C -1.233 174.944 176.600 -0.705 0.000 0.935 41 K CA 0.219 56.143 56.287 -0.605 0.000 0.850 41 K CB 2.867 35.233 32.500 -0.224 0.000 1.372 41 K HN 0.284 7.715 8.250 -1.364 0.000 0.420 42 N N 2.554 120.991 118.700 -0.438 0.000 2.693 42 N HA -0.255 4.389 4.740 -0.161 0.000 0.249 42 N C -1.050 174.237 175.510 -0.370 0.000 1.119 42 N CA 1.408 54.287 53.050 -0.286 0.000 0.717 42 N CB -1.012 37.355 38.487 -0.200 0.000 1.071 42 N HN 0.651 8.868 8.380 -0.271 0.000 0.555 43 G N -6.862 101.530 108.800 -0.679 0.000 2.198 43 G HA2 -0.410 3.433 3.960 -0.195 0.000 0.257 43 G HA3 -0.410 3.492 3.960 -0.096 0.000 0.257 43 G C -1.390 173.237 174.900 -0.455 0.000 1.042 43 G CA 0.197 45.051 45.100 -0.410 0.000 0.791 43 G HN -0.101 7.517 8.290 -1.073 0.027 0.502 44 V N 0.402 119.843 119.914 -0.788 0.000 2.577 44 V HA 0.255 4.341 4.120 -0.057 0.000 0.303 44 V C -1.370 174.505 176.094 -0.365 0.000 1.042 44 V CA -2.115 59.991 62.300 -0.324 0.000 0.872 44 V CB 2.567 34.291 31.823 -0.165 0.000 0.998 44 V HN -0.486 6.806 8.190 -1.266 0.138 0.423 45 Y N 6.315 126.648 120.300 0.054 0.000 2.304 45 Y HA 0.319 5.125 4.550 0.151 -0.165 0.328 45 Y C 0.533 176.503 175.900 0.117 0.000 1.123 45 Y CA -0.453 57.719 58.100 0.120 0.000 1.218 45 Y CB 1.375 39.914 38.460 0.131 0.000 1.207 45 Y HN 0.204 8.764 8.280 0.466 0.000 0.495 46 I N 2.884 123.581 120.570 0.210 0.000 2.563 46 I HA 0.355 4.612 4.170 0.145 0.000 0.276 46 I C -2.033 173.986 176.117 -0.164 0.000 1.074 46 I CA -3.067 58.301 61.300 0.114 0.000 1.124 46 I CB 1.614 39.756 38.000 0.237 0.000 1.225 46 I HN 0.972 9.204 8.210 0.219 0.109 0.482 47 P HA -0.131 4.044 4.420 -0.408 0.000 0.264 47 P C -1.088 175.801 177.300 -0.685 0.000 1.179 47 P CA 0.111 62.792 63.100 -0.699 0.000 0.763 47 P CB 0.195 31.340 31.700 -0.924 0.000 0.806 48 A N 5.221 127.828 122.820 -0.354 0.000 2.910 48 A HA 0.135 4.482 4.320 0.044 0.000 0.316 48 A C -1.635 175.876 177.584 -0.121 0.000 1.493 48 A CA -0.665 51.314 52.037 -0.096 0.000 1.150 48 A CB -0.409 18.589 19.000 -0.003 0.000 1.159 48 A HN 0.301 8.239 8.150 -0.354 0.000 0.526 49 R N 1.217 121.662 120.500 -0.091 0.000 2.771 49 R HA 0.616 5.217 4.340 0.041 -0.236 0.274 49 R C 1.548 177.935 176.300 0.145 0.000 0.987 49 R CA -2.797 53.332 56.100 0.048 0.000 0.908 49 R CB 3.677 34.000 30.300 0.037 0.000 1.213 49 R HN -0.703 7.485 8.270 -0.136 0.000 0.468 50 H N 2.516 121.613 119.070 0.045 0.000 2.289 50 H HA -0.382 4.204 4.556 0.050 0.000 0.296 50 H C 1.302 176.693 175.328 0.104 0.000 1.091 50 H CA 3.732 59.812 56.048 0.054 0.000 1.274 50 H CB -0.450 29.315 29.762 0.004 0.000 1.364 50 H HN 0.346 8.944 8.280 0.531 0.000 0.490 51 E N -0.473 119.220 120.200 -0.844 0.000 2.208 51 E HA -0.332 3.792 4.350 -0.378 0.000 0.202 51 E C 0.619 177.113 176.600 -0.176 0.000 1.014 51 E CA 2.235 58.358 56.400 -0.461 0.000 0.819 51 E CB -0.718 28.715 29.700 -0.444 0.000 0.735 51 E HN 0.485 7.650 8.360 -1.992 0.000 0.469 52 F N -4.153 115.700 119.950 -0.162 0.000 2.802 52 F HA -0.080 4.437 4.527 -0.018 0.000 0.300 52 F C -0.146 175.655 175.800 0.002 0.000 1.168 52 F CA 1.292 59.265 58.000 -0.045 0.000 1.433 52 F CB 0.066 39.050 39.000 -0.028 0.000 1.115 52 F HN -0.438 7.899 8.300 0.313 0.151 0.582 53 V N 1.435 121.417 119.914 0.115 0.000 2.458 53 V HA -0.240 4.074 4.120 0.097 -0.136 0.287 53 V C 0.711 176.845 176.094 0.066 0.000 1.009 53 V CA 2.494 64.847 62.300 0.087 0.000 1.091 53 V CB -0.726 31.142 31.823 0.074 0.000 0.960 53 V HN 0.249 8.253 8.190 0.073 0.231 0.476 54 V N 2.969 122.933 119.914 0.083 0.000 3.379 54 V HA 0.246 4.400 4.120 0.057 0.000 0.249 54 V C -0.754 175.426 176.094 0.142 0.000 1.184 54 V CA 0.244 62.595 62.300 0.085 0.000 1.106 54 V CB 1.399 33.272 31.823 0.083 0.000 0.826 54 V HN -0.149 8.095 8.190 0.089 0.000 0.465 55 H N 2.649 121.726 119.070 0.011 0.000 3.083 55 H HA 0.309 4.870 4.556 0.008 0.000 0.339 55 H C -2.181 173.151 175.328 0.007 0.000 1.020 55 H CA -0.698 55.353 56.048 0.004 0.000 1.360 55 H CB 2.510 32.268 29.762 -0.008 0.000 1.811 55 H HN -0.733 7.616 8.280 0.115 0.000 0.493 56 T N 3.135 117.511 114.554 -0.297 0.000 2.823 56 T HA 0.435 4.586 4.350 -0.331 0.000 0.279 56 T C -1.357 173.103 174.700 -0.400 0.000 0.998 56 T CA -1.291 60.622 62.100 -0.311 0.000 0.994 56 T CB 1.947 70.778 68.868 -0.062 0.000 0.960 56 T HN 0.085 8.318 8.240 -0.012 0.000 0.448 57 N N 3.426 121.938 118.700 -0.312 0.000 3.593 57 N HA 0.005 4.765 4.740 0.033 0.000 0.357 57 N C -0.725 174.846 175.510 0.103 0.000 1.518 57 N CA -1.351 51.647 53.050 -0.087 0.000 0.823 57 N CB 0.767 39.167 38.487 -0.145 0.000 2.346 57 N HN 0.109 8.314 8.380 -0.291 0.000 0.521 58 H N -1.482 117.581 119.070 -0.011 0.000 2.539 58 H HA -0.195 4.503 4.556 0.237 0.000 0.292 58 H C -0.985 174.347 175.328 0.006 0.000 1.069 58 H CA 1.977 58.081 56.048 0.092 0.000 1.244 58 H CB 0.427 30.179 29.762 -0.017 0.000 1.365 58 H HN 0.117 8.525 8.280 0.214 0.000 0.575 59 S N -6.052 109.582 115.700 -0.109 0.000 2.661 59 S HA 0.277 4.552 4.470 -0.581 -0.154 0.285 59 S C -1.441 172.881 174.600 -0.464 0.000 1.138 59 S CA -1.135 56.857 58.200 -0.346 0.000 0.855 59 S CB 2.332 65.521 63.200 -0.019 0.000 1.136 59 S HN -0.685 7.463 8.310 -0.087 0.109 0.484 60 T N 3.701 118.001 114.554 -0.424 0.000 2.758 60 T HA 0.232 4.426 4.350 -0.260 0.000 0.285 60 T C -1.469 173.128 174.700 -0.172 0.000 0.981 60 T CA -0.258 61.681 62.100 -0.269 0.000 0.965 60 T CB 0.726 69.479 68.868 -0.193 0.000 0.927 60 T HN 0.136 8.133 8.240 -0.406 0.000 0.448 61 D N 6.708 127.030 120.400 -0.130 0.000 2.481 61 D HA 0.840 5.567 4.640 -0.093 -0.143 0.244 61 D C -1.275 175.022 176.300 -0.005 0.000 1.057 61 D CA -0.998 52.966 54.000 -0.061 0.000 0.848 61 D CB 3.217 44.026 40.800 0.014 0.000 1.388 61 D HN -0.031 8.246 8.370 -0.156 0.000 0.475 62 L N -0.451 120.768 121.223 -0.007 0.000 2.341 62 L HA 0.816 5.382 4.340 0.122 -0.153 0.267 62 L C -1.169 175.763 176.870 0.104 0.000 1.009 62 L CA -1.727 53.164 54.840 0.084 0.000 0.819 62 L CB 3.692 45.812 42.059 0.102 0.000 1.323 62 L HN 0.392 8.581 8.230 -0.069 0.000 0.425 63 G N -1.356 107.567 108.800 0.205 0.000 2.733 63 G HA2 0.374 4.453 3.960 0.170 0.000 0.297 63 G HA3 0.374 4.418 3.960 0.111 -0.017 0.297 63 G C -2.975 172.119 174.900 0.324 0.000 1.452 63 G CA 0.613 45.829 45.100 0.192 0.000 0.940 63 G HN -0.405 8.047 8.290 0.272 0.000 0.547 64 F N 1.309 121.332 119.950 0.122 0.000 2.613 64 F HA 0.370 4.910 4.527 0.021 0.000 0.310 64 F C -0.902 174.929 175.800 0.052 0.000 1.085 64 F CA -1.509 56.555 58.000 0.107 0.000 0.945 64 F CB 3.539 42.724 39.000 0.309 0.000 1.298 64 F HN -0.335 8.137 8.300 0.287 0.000 0.455 65 K N 4.434 124.249 120.400 -0.976 0.000 3.088 65 K HA -0.292 3.614 4.320 -0.689 0.000 0.273 65 K C -0.499 175.939 176.600 -0.270 0.000 1.111 65 K CA 1.296 57.218 56.287 -0.609 0.000 0.803 65 K CB -1.689 30.592 32.500 -0.365 0.000 1.226 65 K HN 0.928 8.154 8.250 -1.707 0.000 0.485 66 G N -5.341 103.333 108.800 -0.210 0.000 2.176 66 G HA2 -0.394 3.501 3.960 -0.108 0.000 0.253 66 G HA3 -0.394 3.494 3.960 -0.120 0.000 0.253 66 G C -0.854 174.000 174.900 -0.076 0.000 0.979 66 G CA -0.209 44.819 45.100 -0.121 0.000 0.641 66 G HN -0.019 8.097 8.290 -0.241 0.030 0.530 67 Q N 1.050 120.819 119.800 -0.052 0.000 2.230 67 Q HA 0.197 4.508 4.340 -0.049 0.000 0.253 67 Q C -1.372 174.631 176.000 0.005 0.000 0.919 67 Q CA -0.882 54.904 55.803 -0.028 0.000 0.908 67 Q CB 1.951 30.676 28.738 -0.023 0.000 1.245 67 Q HN 0.017 8.052 8.270 -0.056 0.202 0.437 68 R N -2.196 118.293 120.500 -0.018 0.000 2.725 68 R HA 0.705 5.222 4.340 0.021 -0.165 0.277 68 R C -1.733 174.536 176.300 -0.051 0.000 0.987 68 R CA -1.386 54.708 56.100 -0.010 0.000 0.901 68 R CB 3.198 33.494 30.300 -0.006 0.000 1.207 68 R HN 0.183 8.431 8.270 -0.038 0.000 0.463 69 I N 0.749 121.273 120.570 -0.076 0.000 2.569 69 I HA 0.548 4.820 4.170 -0.133 -0.182 0.290 69 I C -1.422 174.615 176.117 -0.133 0.000 1.088 69 I CA -1.067 60.141 61.300 -0.153 0.000 1.047 69 I CB 4.118 41.932 38.000 -0.309 0.000 1.237 69 I HN 0.896 8.977 8.210 -0.047 0.100 0.421 70 K N 5.420 125.751 120.400 -0.116 0.000 2.166 70 K HA 0.398 4.824 4.320 -0.069 -0.148 0.245 70 K C -0.373 176.140 176.600 -0.145 0.000 0.967 70 K CA -1.233 55.004 56.287 -0.083 0.000 0.863 70 K CB 2.179 34.676 32.500 -0.004 0.000 1.107 70 K HN 0.165 8.345 8.250 -0.116 0.000 0.436 71 T N 1.500 115.960 114.554 -0.157 0.000 3.429 71 T HA -0.345 3.844 4.350 -0.270 0.000 0.417 71 T C -0.218 174.349 174.700 -0.221 0.000 0.767 71 T CA 1.764 63.721 62.100 -0.238 0.000 2.141 71 T CB -2.461 66.232 68.868 -0.292 0.000 1.699 71 T HN 0.304 8.657 8.240 -0.126 -0.189 0.685 72 V N -5.566 114.234 119.914 -0.191 0.000 3.605 72 V HA 0.368 4.384 4.120 -0.173 0.000 0.284 72 V C 0.559 176.635 176.094 -0.030 0.000 1.386 72 V CA 0.193 62.399 62.300 -0.158 0.000 1.053 72 V CB 0.679 32.344 31.823 -0.263 0.000 0.857 72 V HN -0.580 7.501 8.190 -0.181 0.000 0.436 73 E N 0.711 120.890 120.200 -0.036 0.000 2.106 73 E HA -0.346 4.020 4.350 0.027 0.000 0.192 73 E C 1.249 177.907 176.600 0.096 0.000 0.984 73 E CA 3.182 59.599 56.400 0.030 0.000 0.806 73 E CB -1.100 28.619 29.700 0.031 0.000 0.750 73 E HN 0.325 8.573 8.360 -0.106 0.048 0.458 74 H N 0.311 119.371 119.070 -0.018 0.000 2.251 74 H HA -0.256 4.373 4.556 0.122 0.000 0.294 74 H C 1.814 177.167 175.328 0.041 0.000 1.078 74 H CA 2.134 58.238 56.048 0.094 0.000 1.246 74 H CB -0.139 29.742 29.762 0.198 0.000 1.358 74 H HN -0.211 8.183 8.280 0.191 0.000 0.488 75 I N -1.095 119.521 120.570 0.076 0.000 2.208 75 I HA -0.421 3.623 4.170 -0.210 0.000 0.245 75 I C 1.078 177.172 176.117 -0.038 0.000 1.097 75 I CA 2.716 63.934 61.300 -0.136 0.000 1.363 75 I CB 0.065 37.888 38.000 -0.294 0.000 1.051 75 I HN -0.199 8.056 8.210 0.074 0.000 0.413 76 L N -2.003 119.234 121.223 0.024 0.000 2.079 76 L HA -0.570 3.826 4.340 0.092 0.000 0.210 76 L C 1.982 178.786 176.870 -0.109 0.000 1.081 76 L CA 3.528 58.398 54.840 0.050 0.000 0.752 76 L CB -0.822 41.317 42.059 0.134 0.000 0.896 76 L HN -0.497 7.765 8.230 0.054 0.000 0.433 77 S N -0.442 115.120 115.700 -0.229 0.000 2.348 77 S HA -0.406 3.806 4.470 -0.431 0.000 0.221 77 S C 1.979 176.386 174.600 -0.322 0.000 1.033 77 S CA 3.613 61.487 58.200 -0.543 0.000 1.010 77 S CB -0.138 62.155 63.200 -1.512 0.000 0.891 77 S HN 0.153 8.143 8.310 -0.177 0.213 0.442 78 V N 2.180 122.077 119.914 -0.029 0.000 2.255 78 V HA -0.462 3.813 4.120 0.260 0.000 0.247 78 V C 1.843 177.951 176.094 0.022 0.000 1.051 78 V CA 4.391 66.790 62.300 0.165 0.000 1.018 78 V CB -0.424 31.567 31.823 0.281 0.000 0.641 78 V HN -0.580 7.631 8.190 0.036 0.000 0.445 79 L N -2.157 119.024 121.223 -0.070 0.000 2.013 79 L HA -0.559 3.754 4.340 -0.044 0.000 0.212 79 L C 2.158 178.800 176.870 -0.380 0.000 1.073 79 L CA 3.559 58.314 54.840 -0.143 0.000 0.753 79 L CB -0.868 41.132 42.059 -0.098 0.000 0.890 79 L HN -0.126 8.069 8.230 -0.057 0.000 0.432 80 H N -0.053 118.476 119.070 -0.902 0.000 2.289 80 H HA -0.390 2.910 4.556 -2.093 0.000 0.296 80 H C 2.801 177.887 175.328 -0.403 0.000 1.091 80 H CA 2.834 58.172 56.048 -1.182 0.000 1.274 80 H CB 0.454 29.688 29.762 -0.881 0.000 1.364 80 H HN -0.090 7.779 8.280 -0.564 0.073 0.490 81 L N -2.086 119.052 121.223 -0.143 0.000 2.083 81 L HA -0.289 3.996 4.340 -0.092 0.000 0.209 81 L C 1.387 178.302 176.870 0.074 0.000 1.083 81 L CA 2.471 57.282 54.840 -0.048 0.000 0.752 81 L CB 0.169 42.215 42.059 -0.020 0.000 0.899 81 L HN -0.453 7.678 8.230 -0.165 0.000 0.433 82 L N -4.900 116.374 121.223 0.086 0.000 2.554 82 L HA -0.076 4.347 4.340 0.138 0.000 0.226 82 L C -0.866 176.057 176.870 0.089 0.000 1.137 82 L CA 0.309 55.212 54.840 0.105 0.000 0.863 82 L CB 0.450 42.559 42.059 0.084 0.000 0.985 82 L HN -0.290 7.881 8.230 0.048 0.088 0.451 83 E N -6.449 113.805 120.200 0.089 0.000 2.287 83 E HA -0.438 4.050 4.350 0.230 0.000 0.229 83 E C -1.413 175.275 176.600 0.147 0.000 1.194 83 E CA 0.466 56.965 56.400 0.167 0.000 0.704 83 E CB -2.968 26.848 29.700 0.193 0.000 1.216 83 E HN -0.423 7.778 8.360 0.040 0.183 0.381 84 I N -1.327 119.316 120.570 0.122 0.000 2.342 84 I HA -0.034 4.186 4.170 0.083 0.000 0.291 84 I C -0.014 176.193 176.117 0.151 0.000 1.010 84 I CA -1.658 59.706 61.300 0.107 0.000 1.308 84 I CB -1.419 36.620 38.000 0.066 0.000 1.400 84 I HN -0.410 7.842 8.210 0.071 0.000 0.488 85 T N 2.304 116.913 114.554 0.092 0.000 3.000 85 T HA 0.122 4.519 4.350 0.078 0.000 0.248 85 T C -0.800 173.905 174.700 0.009 0.000 1.034 85 T CA -0.184 61.950 62.100 0.058 0.000 1.060 85 T CB 2.375 71.265 68.868 0.037 0.000 0.983 85 T HN 0.089 8.371 8.240 0.071 0.000 0.482 86 N N 2.458 121.161 118.700 0.006 0.000 2.504 86 N HA 0.493 5.385 4.740 -0.034 -0.172 0.280 86 N C -2.207 173.295 175.510 -0.014 0.000 1.052 86 N CA -0.229 52.811 53.050 -0.016 0.000 0.887 86 N CB 3.291 41.770 38.487 -0.012 0.000 1.323 86 N HN -0.712 7.680 8.380 0.020 0.000 0.509 87 V N -1.284 118.609 119.914 -0.035 0.000 2.882 87 V HA 0.563 4.819 4.120 -0.001 -0.137 0.295 87 V C -2.141 173.920 176.094 -0.056 0.000 1.273 87 V CA -1.301 60.982 62.300 -0.028 0.000 0.949 87 V CB 2.180 33.986 31.823 -0.028 0.000 1.071 87 V HN 0.434 8.589 8.190 -0.058 0.000 0.432 88 T N 7.569 122.122 114.554 -0.002 0.000 2.853 88 T HA 0.449 4.937 4.350 -0.041 -0.162 0.317 88 T C -0.458 174.265 174.700 0.039 0.000 1.059 88 T CA 0.018 62.125 62.100 0.011 0.000 0.954 88 T CB 0.547 69.452 68.868 0.062 0.000 0.994 88 T HN 0.236 8.498 8.240 0.037 0.000 0.479 89 I N 8.969 129.527 120.570 -0.020 0.000 2.281 89 I HA 0.206 4.630 4.170 0.131 -0.176 0.293 89 I C -0.674 175.596 176.117 0.254 0.000 1.085 89 I CA -0.546 60.820 61.300 0.111 0.000 1.257 89 I CB -0.100 37.959 38.000 0.099 0.000 1.430 89 I HN 0.580 8.682 8.210 -0.179 0.000 0.489 90 E N 8.479 128.819 120.200 0.233 0.000 2.257 90 E HA 0.157 4.983 4.350 0.389 -0.243 0.278 90 E C -0.680 176.068 176.600 0.246 0.000 1.049 90 E CA -0.475 56.099 56.400 0.290 0.000 0.876 90 E CB 0.418 30.248 29.700 0.218 0.000 1.035 90 E HN 0.944 9.325 8.360 0.199 0.098 0.419 91 V N 6.885 126.929 119.914 0.216 0.000 2.311 91 V HA 0.093 4.281 4.120 0.114 0.000 0.275 91 V C -0.948 175.170 176.094 0.039 0.000 1.022 91 V CA -0.545 61.817 62.300 0.104 0.000 0.830 91 V CB 0.556 32.392 31.823 0.023 0.000 1.012 91 V HN 0.100 8.434 8.190 0.239 0.000 0.452 92 I N 7.810 128.394 120.570 0.023 0.000 2.308 92 I HA 0.016 4.173 4.170 -0.021 0.000 0.293 92 I C -0.696 175.354 176.117 -0.112 0.000 1.078 92 I CA 0.225 61.504 61.300 -0.035 0.000 1.292 92 I CB -0.748 37.232 38.000 -0.032 0.000 1.423 92 I HN 0.616 8.853 8.210 0.046 0.000 0.493 93 G N 6.447 115.183 108.800 -0.106 0.000 2.270 93 G HA2 -0.275 3.609 3.960 -0.127 0.000 0.268 93 G HA3 -0.275 3.593 3.960 -0.153 0.000 0.268 93 G C -2.533 172.310 174.900 -0.094 0.000 1.312 93 G CA -0.373 44.653 45.100 -0.125 0.000 1.050 93 G HN -0.508 7.732 8.290 -0.083 0.000 0.474 94 N N -0.935 117.714 118.700 -0.086 0.000 2.227 94 N HA 0.192 4.886 4.740 -0.077 0.000 0.196 94 N C -1.699 173.763 175.510 -0.081 0.000 1.142 94 N CA 0.067 53.073 53.050 -0.074 0.000 0.887 94 N CB 1.629 40.085 38.487 -0.053 0.000 1.022 94 N HN 0.126 8.453 8.380 -0.088 0.000 0.500 95 E N -2.880 117.269 120.200 -0.086 0.000 2.412 95 E HA 0.183 4.633 4.350 -0.123 -0.174 0.279 95 E C -2.136 174.409 176.600 -0.092 0.000 0.984 95 E CA -1.898 54.443 56.400 -0.098 0.000 0.788 95 E CB 2.347 32.001 29.700 -0.076 0.000 1.277 95 E HN -0.890 7.420 8.360 -0.084 0.000 0.455 96 I N 1.431 121.933 120.570 -0.112 0.000 2.517 96 I HA 0.144 4.294 4.170 -0.034 0.000 0.285 96 I C -1.301 174.818 176.117 0.003 0.000 1.106 96 I CA -3.647 57.617 61.300 -0.060 0.000 1.402 96 I CB -1.921 36.017 38.000 -0.103 0.000 1.399 96 I HN -0.124 7.997 8.210 -0.149 0.000 0.535 97 P HA -0.193 4.446 4.420 0.081 -0.170 0.261 97 P C -0.795 176.585 177.300 0.134 0.000 1.173 97 P CA 0.523 63.697 63.100 0.123 0.000 0.760 97 P CB 0.112 31.938 31.700 0.210 0.000 0.783 98 I N 3.257 123.869 120.570 0.070 0.000 2.716 98 I HA -0.177 4.057 4.170 0.106 0.000 0.259 98 I C 0.117 176.294 176.117 0.098 0.000 1.172 98 I CA -1.157 60.187 61.300 0.073 0.000 1.478 98 I CB 1.438 39.433 38.000 -0.008 0.000 1.104 98 I HN 0.149 8.384 8.210 0.042 0.000 0.439 99 L N -4.058 117.208 121.223 0.070 0.000 6.412 99 L HA -0.623 3.739 4.340 0.037 0.000 0.053 99 L C 0.408 177.293 176.870 0.024 0.000 2.199 99 L CA 2.047 56.905 54.840 0.030 0.000 1.611 99 L CB -2.087 39.941 42.059 -0.051 0.000 2.801 99 L HN -0.806 7.470 8.230 0.077 0.000 1.044 100 D N -0.770 119.637 120.400 0.011 0.000 2.289 100 D HA -0.092 4.704 4.640 0.013 -0.148 0.207 100 D C 1.585 177.904 176.300 0.033 0.000 0.966 100 D CA 1.296 55.306 54.000 0.017 0.000 0.868 100 D CB 0.761 41.571 40.800 0.017 0.000 0.943 100 D HN 0.132 8.491 8.370 -0.018 0.000 0.514 101 G N -2.521 106.323 108.800 0.074 0.000 2.229 101 G HA2 -0.315 3.753 3.960 0.180 0.000 0.189 101 G HA3 -0.315 3.774 3.960 0.064 -0.091 0.189 101 G C -1.386 173.614 174.900 0.167 0.000 1.000 101 G CA 0.335 45.510 45.100 0.125 0.000 0.663 101 G HN -0.217 8.093 8.290 0.079 0.028 0.493 102 S N 0.611 116.361 115.700 0.083 0.000 2.801 102 S HA 0.451 4.866 4.470 -0.091 0.000 0.312 102 S C -0.501 174.088 174.600 -0.018 0.000 1.112 102 S CA -1.531 56.647 58.200 -0.037 0.000 0.943 102 S CB 2.788 65.948 63.200 -0.067 0.000 1.269 102 S HN -0.665 7.623 8.310 0.061 0.058 0.558 103 G N -2.084 106.620 108.800 -0.161 0.000 3.159 103 G HA2 0.392 4.563 3.960 0.352 0.000 0.232 103 G HA3 0.392 4.437 3.960 0.141 0.000 0.232 103 G C 0.010 174.982 174.900 0.120 0.000 1.116 103 G CA -0.478 44.690 45.100 0.112 0.000 0.767 103 G HN 0.127 8.158 8.290 -0.433 0.000 0.547 104 W N 2.615 123.834 121.300 -0.136 0.000 2.305 104 W HA -0.509 4.170 4.660 0.031 0.000 0.308 104 W C 0.427 176.943 176.519 -0.004 0.000 1.226 104 W CA 3.859 61.184 57.345 -0.035 0.000 1.253 104 W CB 0.245 29.665 29.460 -0.066 0.000 1.146 104 W HN -0.265 7.929 8.180 0.117 0.056 0.507 105 E N -2.470 117.620 120.200 -0.184 0.000 2.031 105 E HA -0.412 3.748 4.350 -0.316 0.000 0.193 105 E C 2.332 178.670 176.600 -0.437 0.000 0.994 105 E CA 3.916 60.080 56.400 -0.393 0.000 0.800 105 E CB -0.992 28.384 29.700 -0.541 0.000 0.752 105 E HN 0.163 8.469 8.360 -0.078 0.007 0.447 106 F N -1.514 118.277 119.950 -0.264 0.000 2.134 106 F HA -0.233 4.027 4.527 -0.446 0.000 0.299 106 F C 2.275 178.023 175.800 -0.088 0.000 1.097 106 F CA 2.936 60.763 58.000 -0.289 0.000 1.264 106 F CB -0.703 38.143 39.000 -0.256 0.000 1.001 106 F HN -0.857 6.993 8.300 -0.750 0.000 0.479 107 Y N -0.362 119.928 120.300 -0.016 0.000 2.224 107 Y HA -0.494 4.049 4.550 -0.011 0.000 0.289 107 Y C 2.235 177.961 175.900 -0.290 0.000 1.146 107 Y CA 3.775 61.816 58.100 -0.099 0.000 1.182 107 Y CB 0.230 38.648 38.460 -0.070 0.000 0.983 107 Y HN 0.632 8.945 8.280 0.233 0.107 0.524 108 E N -0.810 119.096 120.200 -0.490 0.000 2.028 108 E HA -0.455 3.421 4.350 -0.790 0.000 0.191 108 E C 2.268 178.667 176.600 -0.336 0.000 0.988 108 E CA 3.191 59.196 56.400 -0.657 0.000 0.799 108 E CB -0.177 29.021 29.700 -0.837 0.000 0.755 108 E HN 0.337 8.230 8.360 -0.429 0.210 0.447 109 A N -0.839 121.896 122.820 -0.141 0.000 1.854 109 A HA -0.172 4.105 4.320 -0.072 0.000 0.214 109 A C 2.636 180.205 177.584 -0.025 0.000 1.192 109 A CA 2.862 54.889 52.037 -0.018 0.000 0.611 109 A CB -0.248 18.860 19.000 0.180 0.000 0.832 109 A HN -0.339 7.752 8.150 -0.098 0.000 0.442 110 I N -1.175 119.413 120.570 0.029 0.000 2.208 110 I HA -0.562 3.627 4.170 0.032 0.000 0.245 110 I C 2.044 178.089 176.117 -0.119 0.000 1.097 110 I CA 3.847 65.147 61.300 0.000 0.000 1.363 110 I CB -0.313 37.718 38.000 0.052 0.000 1.051 110 I HN -0.202 8.070 8.210 0.104 0.000 0.413 111 R N -0.876 119.460 120.500 -0.273 0.000 2.139 111 R HA -0.320 3.846 4.340 -0.290 0.000 0.243 111 R C 2.067 178.247 176.300 -0.201 0.000 1.145 111 R CA 3.180 59.072 56.100 -0.347 0.000 0.976 111 R CB -0.419 29.475 30.300 -0.677 0.000 0.866 111 R HN -0.317 7.748 8.270 -0.342 0.000 0.449 112 K N -3.493 116.808 120.400 -0.166 0.000 2.426 112 K HA -0.104 4.158 4.320 -0.096 0.000 0.193 112 K C -0.180 176.376 176.600 -0.073 0.000 1.028 112 K CA 1.109 57.333 56.287 -0.105 0.000 1.047 112 K CB 0.265 32.707 32.500 -0.096 0.000 0.821 112 K HN -0.495 7.515 8.250 -0.182 0.131 0.513 113 N N -2.056 116.604 118.700 -0.068 0.000 2.351 113 N HA 0.188 4.901 4.740 -0.045 0.000 0.254 113 N C -1.605 173.883 175.510 -0.037 0.000 1.241 113 N CA -1.099 51.923 53.050 -0.046 0.000 0.883 113 N CB 0.948 39.410 38.487 -0.040 0.000 1.202 113 N HN 0.051 8.167 8.380 -0.081 0.215 0.512 114 I N -0.285 120.260 120.570 -0.041 0.000 2.532 114 I HA 0.003 4.163 4.170 -0.017 0.000 0.292 114 I C -1.009 175.099 176.117 -0.014 0.000 1.014 114 I CA 0.832 62.117 61.300 -0.024 0.000 1.340 114 I CB 1.144 39.128 38.000 -0.027 0.000 1.422 114 I HN -0.893 7.284 8.210 -0.055 0.000 0.528 115 L N 6.174 127.395 121.223 -0.004 0.000 2.371 115 L HA 0.462 4.801 4.340 -0.002 0.000 0.262 115 L C -2.589 174.287 176.870 0.009 0.000 1.006 115 L CA -2.084 52.756 54.840 -0.001 0.000 0.818 115 L CB 5.094 47.151 42.059 -0.004 0.000 1.354 115 L HN 0.809 8.949 8.230 -0.001 0.090 0.415 116 N N 1.753 120.459 118.700 0.011 0.000 2.443 116 N HA 0.357 5.111 4.740 0.024 0.000 0.295 116 N C -0.991 174.527 175.510 0.014 0.000 1.076 116 N CA -0.472 52.589 53.050 0.018 0.000 0.919 116 N CB 1.138 39.638 38.487 0.022 0.000 1.176 116 N HN 0.188 8.573 8.380 0.008 0.000 0.487 117 Q N 1.499 121.308 119.800 0.015 0.000 2.633 117 Q HA 0.223 4.567 4.340 0.006 0.000 0.208 117 Q C -0.994 175.011 176.000 0.008 0.000 1.010 117 Q CA -0.960 54.849 55.803 0.009 0.000 0.982 117 Q CB 2.702 31.443 28.738 0.006 0.000 1.334 117 Q HN 0.582 8.864 8.270 0.021 0.000 0.508 118 N N 0.951 119.653 118.700 0.003 0.000 3.012 118 N HA 0.103 4.847 4.740 0.006 0.000 0.270 118 N C -1.583 173.925 175.510 -0.003 0.000 1.469 118 N CA -0.209 52.842 53.050 0.002 0.000 0.928 118 N CB -0.278 38.209 38.487 0.001 0.000 1.219 118 N HN 0.175 8.556 8.380 0.001 0.000 0.492 119 R N 0.408 120.906 120.500 -0.003 0.000 2.664 119 R HA 0.013 4.344 4.340 -0.014 0.000 0.260 119 R C -2.780 173.507 176.300 -0.021 0.000 1.062 119 R CA -0.103 55.988 56.100 -0.014 0.000 0.902 119 R CB 2.942 33.230 30.300 -0.021 0.000 1.258 119 R HN -0.518 7.754 8.270 0.003 0.000 0.465 120 E N 2.704 122.883 120.200 -0.036 0.000 2.283 120 E HA 0.030 4.359 4.350 -0.035 0.000 0.278 120 E C -1.549 174.972 176.600 -0.133 0.000 1.027 120 E CA -0.334 56.030 56.400 -0.061 0.000 0.843 120 E CB 0.889 30.559 29.700 -0.051 0.000 1.062 120 E HN 0.295 8.635 8.360 -0.034 0.000 0.401 121 I N 3.820 124.258 120.570 -0.220 0.000 2.581 121 I HA -0.056 4.026 4.170 -0.199 -0.031 0.288 121 I C -0.561 175.212 176.117 -0.572 0.000 1.047 121 I CA -0.206 60.892 61.300 -0.338 0.000 1.374 121 I CB 1.290 39.101 38.000 -0.315 0.000 1.423 121 I HN -0.003 8.100 8.210 -0.178 0.000 0.549 122 D N 4.932 125.108 120.400 -0.373 0.000 2.428 122 D HA 0.028 4.478 4.640 -0.317 0.000 0.221 122 D C -1.215 174.954 176.300 -0.218 0.000 1.123 122 D CA -0.654 53.173 54.000 -0.288 0.000 0.869 122 D CB 0.326 41.052 40.800 -0.123 0.000 1.032 122 D HN 0.050 8.276 8.370 -0.239 0.000 0.506 123 Y N 3.922 124.268 120.300 0.077 0.000 2.397 123 Y HA -0.215 4.432 4.550 0.161 0.000 0.335 123 Y C -0.360 175.623 175.900 0.139 0.000 1.213 123 Y CA 0.189 58.366 58.100 0.128 0.000 1.391 123 Y CB 0.455 38.987 38.460 0.120 0.000 1.293 123 Y HN -0.096 7.870 8.280 -0.524 0.000 0.557 124 F N 3.096 123.186 119.950 0.233 0.000 2.405 124 F HA 0.252 4.845 4.527 0.109 0.000 0.355 124 F C -1.907 173.997 175.800 0.174 0.000 1.121 124 F CA -0.592 57.496 58.000 0.147 0.000 1.112 124 F CB 1.537 40.595 39.000 0.095 0.000 1.126 124 F HN 0.361 8.983 8.300 0.536 0.000 0.481 125 V N 7.121 127.034 119.914 -0.002 0.000 2.604 125 V HA 0.440 4.897 4.120 0.281 -0.169 0.305 125 V C -1.037 175.101 176.094 0.073 0.000 1.043 125 V CA -1.892 60.484 62.300 0.126 0.000 0.888 125 V CB 2.725 34.575 31.823 0.045 0.000 0.995 125 V HN 0.107 8.057 8.190 -0.399 0.000 0.429 126 V N 5.789 125.831 119.914 0.214 0.000 2.555 126 V HA -0.103 4.162 4.120 0.241 0.000 0.286 126 V C -0.117 176.005 176.094 0.047 0.000 1.044 126 V CA -0.082 62.323 62.300 0.175 0.000 1.026 126 V CB 0.396 32.308 31.823 0.149 0.000 0.981 126 V HN 0.187 8.524 8.190 0.244 0.000 0.480 127 E N 5.174 125.390 120.200 0.027 0.000 2.490 127 E HA 0.087 4.433 4.350 -0.008 0.000 0.209 127 E C -1.291 175.312 176.600 0.005 0.000 0.971 127 E CA 0.378 56.777 56.400 -0.001 0.000 0.988 127 E CB 1.258 30.947 29.700 -0.019 0.000 1.029 127 E HN 0.505 8.894 8.360 0.049 0.000 0.496 128 E N -1.837 118.376 120.200 0.023 0.000 2.331 128 E HA 0.382 4.735 4.350 0.006 0.000 0.275 128 E C -2.613 174.001 176.600 0.024 0.000 0.895 128 E CA -3.405 53.007 56.400 0.019 0.000 0.753 128 E CB 1.818 31.534 29.700 0.027 0.000 1.216 128 E HN -0.587 7.800 8.360 0.045 0.000 0.434 129 P HA 0.197 4.772 4.420 -0.003 -0.157 0.275 129 P C -1.988 175.334 177.300 0.037 0.000 1.266 129 P CA -0.734 62.372 63.100 0.010 0.000 0.793 129 P CB 1.443 33.140 31.700 -0.005 0.000 1.074 130 I N -3.150 117.450 120.570 0.049 0.000 2.771 130 I HA 0.279 4.480 4.170 0.053 0.000 0.291 130 I C -2.692 173.470 176.117 0.075 0.000 1.527 130 I CA -0.237 61.102 61.300 0.065 0.000 1.024 130 I CB 3.734 41.786 38.000 0.086 0.000 1.388 130 I HN -0.324 7.912 8.210 0.044 0.000 0.447 131 I N 7.198 127.808 120.570 0.067 0.000 2.466 131 I HA 0.623 5.027 4.170 0.093 -0.178 0.289 131 I C -0.969 175.194 176.117 0.077 0.000 1.026 131 I CA -1.289 60.056 61.300 0.074 0.000 1.078 131 I CB 2.522 40.553 38.000 0.051 0.000 1.249 131 I HN 0.022 8.267 8.210 0.058 0.000 0.429 132 V N 4.878 124.849 119.914 0.094 0.000 2.444 132 V HA 0.504 4.669 4.120 0.074 0.000 0.294 132 V C -2.077 174.075 176.094 0.097 0.000 1.022 132 V CA -1.841 60.511 62.300 0.088 0.000 0.850 132 V CB 1.877 33.753 31.823 0.089 0.000 0.992 132 V HN 0.578 8.835 8.190 0.113 0.000 0.426 133 E N 7.729 127.979 120.200 0.085 0.000 2.199 133 E HA 0.337 4.901 4.350 0.120 -0.142 0.269 133 E C -1.253 175.396 176.600 0.083 0.000 0.899 133 E CA -1.021 55.436 56.400 0.094 0.000 0.772 133 E CB 2.156 31.904 29.700 0.080 0.000 1.155 133 E HN 0.454 8.857 8.360 0.072 0.000 0.408 134 D N 3.831 124.285 120.400 0.090 0.000 2.722 134 D HA 0.074 4.754 4.640 0.066 0.000 0.231 134 D C -0.981 175.362 176.300 0.073 0.000 1.218 134 D CA 0.533 54.577 54.000 0.073 0.000 0.753 134 D CB 2.794 43.633 40.800 0.065 0.000 1.471 134 D HN 0.133 8.569 8.370 0.110 0.000 0.455 135 E N 0.733 120.971 120.200 0.063 0.000 2.883 135 E HA -0.363 4.019 4.350 0.053 0.000 0.271 135 E C -0.900 175.740 176.600 0.067 0.000 1.049 135 E CA 0.923 57.358 56.400 0.058 0.000 0.817 135 E CB -1.016 28.715 29.700 0.051 0.000 1.407 135 E HN 0.597 8.992 8.360 0.058 0.000 0.434 136 G N -6.473 102.381 108.800 0.090 0.000 2.148 136 G HA2 -0.331 3.711 3.960 0.135 0.000 0.254 136 G HA3 -0.331 3.696 3.960 0.111 0.000 0.254 136 G C -0.744 174.275 174.900 0.197 0.000 0.981 136 G CA 0.147 45.325 45.100 0.130 0.000 0.670 136 G HN 0.022 8.325 8.290 0.086 0.039 0.528 137 R N -1.053 119.536 120.500 0.149 0.000 2.782 137 R HA 0.366 4.766 4.340 0.100 0.000 0.258 137 R C -1.980 174.473 176.300 0.254 0.000 1.055 137 R CA -1.379 54.807 56.100 0.143 0.000 1.065 137 R CB 3.241 33.558 30.300 0.029 0.000 1.172 137 R HN -0.097 8.037 8.270 0.114 0.205 0.510 138 L N -1.560 119.860 121.223 0.328 0.000 2.582 138 L HA 0.871 5.526 4.340 0.201 -0.194 0.257 138 L C -2.395 174.650 176.870 0.291 0.000 0.974 138 L CA -0.752 54.261 54.840 0.287 0.000 0.851 138 L CB 4.705 46.940 42.059 0.293 0.000 1.424 138 L HN -0.127 8.293 8.230 0.316 0.000 0.412 139 I N 0.335 121.043 120.570 0.230 0.000 2.692 139 I HA 0.453 4.942 4.170 0.336 -0.118 0.293 139 I C -2.608 173.643 176.117 0.222 0.000 1.200 139 I CA -0.772 60.680 61.300 0.254 0.000 1.036 139 I CB 4.846 42.964 38.000 0.197 0.000 1.258 139 I HN 0.275 8.596 8.210 0.186 0.000 0.421 140 K N 4.815 125.371 120.400 0.260 0.000 2.371 140 K HA 0.995 5.597 4.320 0.146 -0.195 0.251 140 K C -2.345 174.376 176.600 0.201 0.000 0.934 140 K CA -2.228 54.168 56.287 0.183 0.000 0.798 140 K CB 4.654 37.225 32.500 0.118 0.000 1.204 140 K HN 0.602 9.060 8.250 0.347 0.000 0.427 141 A N 3.999 126.899 122.820 0.133 0.000 2.365 141 A HA 0.686 5.109 4.320 -0.014 -0.111 0.318 141 A C -2.261 175.267 177.584 -0.093 0.000 1.091 141 A CA -1.885 50.174 52.037 0.035 0.000 0.763 141 A CB 3.691 22.798 19.000 0.177 0.000 1.248 141 A HN 0.668 8.883 8.150 0.108 0.000 0.442 142 E N 0.289 120.332 120.200 -0.261 0.000 2.308 142 E HA 0.542 4.831 4.350 -0.101 0.000 0.275 142 E C -2.690 173.774 176.600 -0.227 0.000 0.890 142 E CA -3.878 52.418 56.400 -0.173 0.000 0.754 142 E CB 3.942 33.570 29.700 -0.120 0.000 1.207 142 E HN 0.298 8.351 8.360 -0.511 0.000 0.426 143 P HA -0.101 4.354 4.420 -0.094 -0.091 0.267 143 P C -1.017 176.222 177.300 -0.101 0.000 1.200 143 P CA 0.320 63.362 63.100 -0.096 0.000 0.772 143 P CB 0.544 32.216 31.700 -0.046 0.000 0.855 144 S N -0.017 115.637 115.700 -0.076 0.000 2.578 144 S HA 0.060 4.498 4.470 -0.053 0.000 0.272 144 S C -0.886 173.699 174.600 -0.025 0.000 1.145 144 S CA -0.692 57.472 58.200 -0.060 0.000 0.835 144 S CB 1.354 64.502 63.200 -0.088 0.000 1.104 144 S HN 0.018 8.297 8.310 -0.051 0.000 0.458 145 D N 0.061 120.447 120.400 -0.024 0.000 2.340 145 D HA 0.041 4.680 4.640 -0.003 0.000 0.220 145 D C -0.885 175.404 176.300 -0.019 0.000 1.039 145 D CA 0.965 54.956 54.000 -0.015 0.000 0.866 145 D CB 0.201 40.990 40.800 -0.019 0.000 0.913 145 D HN 0.364 8.714 8.370 -0.032 0.000 0.523 146 T N -6.369 108.171 114.554 -0.023 0.000 2.903 146 T HA 0.256 4.717 4.350 -0.032 -0.131 0.299 146 T C -1.064 173.634 174.700 -0.003 0.000 1.093 146 T CA -2.675 59.405 62.100 -0.032 0.000 1.002 146 T CB 3.202 72.031 68.868 -0.065 0.000 1.127 146 T HN -0.916 7.234 8.240 -0.028 0.073 0.488 147 L N 4.341 125.570 121.223 0.009 0.000 2.315 147 L HA 0.235 4.933 4.340 0.231 -0.220 0.283 147 L C -2.057 174.788 176.870 -0.043 0.000 1.089 147 L CA -0.054 54.845 54.840 0.097 0.000 0.833 147 L CB 0.716 42.854 42.059 0.130 0.000 1.170 147 L HN 1.026 9.798 8.230 -0.019 -0.554 0.442 148 E N 7.453 127.695 120.200 0.071 0.000 2.275 148 E HA 0.660 4.982 4.350 -0.317 -0.162 0.270 148 E C -2.383 174.343 176.600 0.210 0.000 0.882 148 E CA -1.443 54.929 56.400 -0.046 0.000 0.758 148 E CB 4.373 34.024 29.700 -0.082 0.000 1.195 148 E HN 0.554 9.049 8.360 0.227 0.000 0.419 149 V N 7.097 127.136 119.914 0.207 0.000 2.525 149 V HA 0.698 5.245 4.120 0.353 -0.215 0.299 149 V C -1.360 174.835 176.094 0.168 0.000 1.034 149 V CA -1.373 61.098 62.300 0.284 0.000 0.863 149 V CB 3.391 35.395 31.823 0.302 0.000 0.999 149 V HN 0.333 8.586 8.190 0.105 0.000 0.423 150 T N 10.236 124.828 114.554 0.062 0.000 2.823 150 T HA 0.601 5.104 4.350 -0.022 -0.167 0.279 150 T C -1.910 172.631 174.700 -0.264 0.000 0.998 150 T CA -0.780 61.246 62.100 -0.123 0.000 0.994 150 T CB 2.158 70.904 68.868 -0.204 0.000 0.960 150 T HN 0.889 9.081 8.240 0.103 0.109 0.448 151 Y N 7.396 127.551 120.300 -0.242 0.000 2.361 151 Y HA 0.612 5.199 4.550 -0.282 -0.206 0.337 151 Y C -2.825 173.012 175.900 -0.105 0.000 0.965 151 Y CA -2.737 55.254 58.100 -0.182 0.000 1.091 151 Y CB 3.687 42.152 38.460 0.008 0.000 1.182 151 Y HN 0.333 8.650 8.280 0.061 0.000 0.450 152 E N 9.055 128.822 120.200 -0.721 0.000 2.101 152 E HA 0.399 4.502 4.350 -0.411 0.000 0.260 152 E C -1.517 174.540 176.600 -0.906 0.000 0.897 152 E CA -1.957 54.133 56.400 -0.516 0.000 0.744 152 E CB 2.650 32.415 29.700 0.108 0.000 1.140 152 E HN 0.870 8.880 8.360 -0.405 0.107 0.419 153 G N 4.533 112.701 108.800 -1.053 0.000 2.367 153 G HA2 0.218 3.724 3.960 -0.758 0.000 0.314 153 G HA3 0.218 3.726 3.960 -0.754 0.000 0.314 153 G C -2.611 171.842 174.900 -0.744 0.000 1.130 153 G CA -0.933 43.634 45.100 -0.889 0.000 0.864 153 G HN 0.459 8.269 8.290 -0.800 0.000 0.486 154 E N 4.801 124.552 120.200 -0.749 0.000 2.149 154 E HA 0.281 4.446 4.350 -0.309 0.000 0.255 154 E C -1.449 174.823 176.600 -0.546 0.000 0.888 154 E CA -1.770 54.358 56.400 -0.453 0.000 0.742 154 E CB 1.668 31.281 29.700 -0.145 0.000 1.164 154 E HN 0.187 8.125 8.360 -0.704 0.000 0.422 155 F N 5.321 125.288 119.950 0.028 0.000 2.422 155 F HA 0.234 4.767 4.527 0.010 0.000 0.333 155 F C 0.196 175.936 175.800 -0.100 0.000 1.095 155 F CA -1.283 56.711 58.000 -0.010 0.000 1.038 155 F CB 1.618 40.639 39.000 0.035 0.000 1.156 155 F HN 0.327 8.444 8.300 -0.166 0.083 0.483 156 K N 0.348 120.729 120.400 -0.033 0.000 2.404 156 K HA -0.097 4.179 4.320 -0.074 0.000 0.194 156 K C -0.547 176.004 176.600 -0.083 0.000 1.023 156 K CA 0.175 56.381 56.287 -0.134 0.000 1.094 156 K CB -0.184 32.124 32.500 -0.320 0.000 0.841 156 K HN 0.588 8.785 8.250 -0.089 0.000 0.523 157 N N -2.628 116.075 118.700 0.005 0.000 2.381 157 N HA 0.016 4.921 4.740 0.177 -0.059 0.289 157 N C 1.658 177.210 175.510 0.069 0.000 1.288 157 N CA -0.657 52.466 53.050 0.122 0.000 0.960 157 N CB 0.943 39.557 38.487 0.212 0.000 1.116 157 N HN -0.682 7.649 8.380 0.041 0.073 0.557 158 F N -3.148 116.876 119.950 0.123 0.000 2.269 158 F HA -0.231 4.340 4.527 0.073 0.000 0.301 158 F C 0.726 176.582 175.800 0.093 0.000 1.082 158 F CA 1.845 59.898 58.000 0.089 0.000 1.360 158 F CB -0.375 38.669 39.000 0.073 0.000 1.041 158 F HN -0.269 8.414 8.300 0.638 0.000 0.512 159 L N -1.305 119.311 121.223 -1.011 0.000 2.201 159 L HA -0.234 3.827 4.340 -0.466 0.000 0.212 159 L C 1.046 177.853 176.870 -0.106 0.000 1.105 159 L CA 0.515 55.001 54.840 -0.590 0.000 0.775 159 L CB -0.360 41.291 42.059 -0.679 0.000 0.913 159 L HN -0.610 6.892 8.230 -1.404 -0.114 0.440 160 G N -2.579 106.211 108.800 -0.016 0.000 2.574 160 G HA2 -0.448 3.675 3.960 0.061 0.000 0.286 160 G HA3 -0.448 3.544 3.960 0.053 0.000 0.286 160 G C -1.408 173.585 174.900 0.155 0.000 1.212 160 G CA 0.379 45.522 45.100 0.071 0.000 0.979 160 G HN -0.565 7.535 8.290 -0.071 0.147 0.557 161 R N 2.455 123.011 120.500 0.093 0.000 2.404 161 R HA 0.304 4.782 4.340 0.019 -0.126 0.291 161 R C -0.928 175.439 176.300 0.111 0.000 1.025 161 R CA 0.032 56.172 56.100 0.067 0.000 0.991 161 R CB 1.300 31.613 30.300 0.023 0.000 1.053 161 R HN 0.108 8.416 8.270 0.065 0.000 0.479 162 Q N 3.077 122.947 119.800 0.116 0.000 2.320 162 Q HA 0.279 4.684 4.340 0.109 0.000 0.272 162 Q C -2.245 173.796 176.000 0.067 0.000 1.023 162 Q CA -0.780 55.106 55.803 0.138 0.000 0.855 162 Q CB 4.857 33.730 28.738 0.224 0.000 1.367 162 Q HN 0.669 8.956 8.270 0.030 0.000 0.406 163 K N 0.705 121.154 120.400 0.082 0.000 2.318 163 K HA 0.922 5.396 4.320 -0.063 -0.192 0.249 163 K C -1.219 175.501 176.600 0.200 0.000 0.942 163 K CA -1.807 54.511 56.287 0.051 0.000 0.808 163 K CB 2.842 35.363 32.500 0.035 0.000 1.189 163 K HN 0.081 8.394 8.250 0.105 0.000 0.428 164 F N 3.090 123.060 119.950 0.033 0.000 2.562 164 F HA 0.315 4.877 4.527 0.059 0.000 0.319 164 F C -2.029 173.820 175.800 0.082 0.000 1.154 164 F CA -0.415 57.629 58.000 0.074 0.000 0.931 164 F CB 3.938 43.004 39.000 0.110 0.000 1.198 164 F HN 0.432 8.852 8.300 0.200 0.000 0.444 165 T N 10.249 124.459 114.554 -0.573 0.000 2.749 165 T HA 0.178 4.556 4.350 -0.146 -0.115 0.287 165 T C -1.802 172.616 174.700 -0.470 0.000 0.970 165 T CA -0.146 61.742 62.100 -0.353 0.000 0.980 165 T CB 0.840 69.570 68.868 -0.231 0.000 0.924 165 T HN 0.127 7.927 8.240 -0.733 0.000 0.456 166 F N 9.917 129.705 119.950 -0.270 0.000 2.404 166 F HA 0.298 4.681 4.527 -0.239 0.000 0.339 166 F C -2.814 172.935 175.800 -0.085 0.000 1.105 166 F CA -1.476 56.435 58.000 -0.149 0.000 1.087 166 F CB 2.076 41.095 39.000 0.032 0.000 1.143 166 F HN 0.672 9.021 8.300 0.081 0.000 0.491 167 V N 4.913 124.193 119.914 -1.057 0.000 2.962 167 V HA 0.238 3.786 4.120 -0.953 0.000 0.313 167 V C -1.381 174.140 176.094 -0.955 0.000 1.099 167 V CA -2.373 59.357 62.300 -0.951 0.000 0.971 167 V CB 4.161 35.743 31.823 -0.401 0.000 1.028 167 V HN 0.101 8.001 8.190 -0.483 0.000 0.430 168 E N 4.971 124.799 120.200 -0.620 0.000 2.606 168 E HA -0.466 3.810 4.350 -0.123 0.000 0.248 168 E C 0.265 176.812 176.600 -0.087 0.000 1.005 168 E CA 2.077 58.335 56.400 -0.237 0.000 0.946 168 E CB -0.626 28.996 29.700 -0.130 0.000 0.928 168 E HN 0.223 8.264 8.360 -0.531 0.000 0.494 169 G N 4.699 113.532 108.800 0.056 0.000 2.183 169 G HA2 -0.302 3.711 3.960 0.088 0.000 0.168 169 G HA3 -0.302 3.673 3.960 0.024 0.000 0.168 169 G C -0.199 174.770 174.900 0.115 0.000 1.008 169 G CA -0.147 44.995 45.100 0.070 0.000 0.677 169 G HN 0.695 9.517 8.290 0.170 -0.429 0.498 170 N N -0.744 118.092 118.700 0.227 0.000 2.377 170 N HA 0.229 5.062 4.740 0.155 0.000 0.259 170 N C -0.373 175.324 175.510 0.311 0.000 1.332 170 N CA -0.772 52.427 53.050 0.248 0.000 0.877 170 N CB 1.484 40.108 38.487 0.228 0.000 1.299 170 N HN -0.198 8.388 8.380 0.343 0.000 0.501 171 E N 0.514 120.870 120.200 0.260 0.000 2.150 171 E HA -0.244 3.987 4.350 -0.200 0.000 0.193 171 E C 1.361 177.886 176.600 -0.124 0.000 0.985 171 E CA 3.294 59.690 56.400 -0.006 0.000 0.814 171 E CB -0.393 29.306 29.700 -0.002 0.000 0.752 171 E HN 0.319 8.844 8.360 0.274 0.000 0.466 172 E N -2.049 118.120 120.200 -0.051 0.000 2.333 172 E HA -0.245 4.012 4.350 -0.155 0.000 0.198 172 E C 1.051 177.546 176.600 -0.175 0.000 1.007 172 E CA 2.500 58.846 56.400 -0.089 0.000 0.845 172 E CB -1.058 28.661 29.700 0.032 0.000 0.766 172 E HN 0.385 8.748 8.360 0.038 0.020 0.507 173 E N -4.086 116.021 120.200 -0.154 0.000 2.479 173 E HA 0.065 4.117 4.350 -0.496 0.000 0.193 173 E C 1.058 177.393 176.600 -0.442 0.000 1.049 173 E CA 0.024 56.235 56.400 -0.315 0.000 0.870 173 E CB 0.494 30.159 29.700 -0.058 0.000 0.944 173 E HN -0.546 7.614 8.360 -0.048 0.171 0.492 174 I N -6.452 113.920 120.570 -0.329 0.000 4.050 174 I HA 0.334 4.252 4.170 -0.420 0.000 0.327 174 I C -0.298 175.509 176.117 -0.517 0.000 1.473 174 I CA -0.091 61.000 61.300 -0.348 0.000 1.124 174 I CB 0.044 37.917 38.000 -0.212 0.000 1.129 174 I HN -0.327 7.546 8.210 -0.267 0.176 0.428 175 V N -3.898 115.697 119.914 -0.532 0.000 3.379 175 V HA 0.114 3.446 4.120 -1.313 0.000 0.249 175 V C 0.042 175.864 176.094 -0.454 0.000 1.184 175 V CA 0.601 62.497 62.300 -0.674 0.000 1.106 175 V CB 0.890 32.461 31.823 -0.419 0.000 0.826 175 V HN -0.848 7.085 8.190 -0.428 0.000 0.465 176 L N -1.473 119.557 121.223 -0.322 0.000 2.592 176 L HA 0.015 4.288 4.340 -0.111 0.000 0.227 176 L C -0.538 176.280 176.870 -0.087 0.000 1.127 176 L CA -0.666 54.065 54.840 -0.181 0.000 0.884 176 L CB -0.097 41.840 42.059 -0.203 0.000 1.065 176 L HN -0.175 7.831 8.230 -0.374 0.000 0.457 177 A N -1.179 121.519 122.820 -0.204 0.000 2.376 177 A HA 0.026 4.383 4.320 0.062 0.000 0.298 177 A C -0.511 177.113 177.584 0.066 0.000 1.271 177 A CA -0.850 51.153 52.037 -0.058 0.000 0.926 177 A CB -0.088 18.827 19.000 -0.141 0.000 1.141 177 A HN -0.424 7.422 8.150 -0.393 0.069 0.539 178 R N 4.655 125.193 120.500 0.064 0.000 2.531 178 R HA 0.134 4.726 4.340 0.137 -0.170 0.273 178 R C 0.229 176.459 176.300 -0.117 0.000 1.070 178 R CA -1.870 54.270 56.100 0.068 0.000 1.112 178 R CB 0.575 30.878 30.300 0.003 0.000 1.049 178 R HN 0.022 8.307 8.270 0.026 0.000 0.508 179 T N 0.418 114.709 114.554 -0.438 0.000 2.856 179 T HA -0.251 2.952 4.350 -1.912 0.000 0.329 179 T C -1.058 173.467 174.700 -0.291 0.000 1.094 179 T CA 2.340 63.906 62.100 -0.889 0.000 1.112 179 T CB 0.874 69.487 68.868 -0.425 0.000 1.009 179 T HN -0.177 7.897 8.240 -0.101 0.105 0.550 180 F N 0.056 119.747 119.950 -0.432 0.000 2.675 180 F HA 0.861 5.339 4.527 -0.320 -0.143 0.324 180 F C -2.176 173.367 175.800 -0.429 0.000 1.106 180 F CA -2.615 55.155 58.000 -0.383 0.000 0.970 180 F CB 3.183 41.935 39.000 -0.413 0.000 1.385 180 F HN -0.092 7.772 8.300 -0.726 0.000 0.489 181 C N -1.414 117.585 119.300 -0.501 0.000 3.311 181 C HA 0.363 4.414 4.460 -0.867 -0.110 0.325 181 C C -2.419 172.101 174.990 -0.782 0.000 1.352 181 C CA -1.805 56.811 59.018 -0.670 0.000 1.308 181 C CB 4.404 31.912 27.740 -0.386 0.000 1.619 181 C HN 0.687 8.750 8.230 -0.277 0.000 0.469 182 F N 1.261 120.917 119.950 -0.489 0.000 2.450 182 F HA 0.517 4.825 4.527 -0.646 -0.169 0.332 182 F C 0.959 176.304 175.800 -0.758 0.000 1.093 182 F CA -1.362 56.079 58.000 -0.931 0.000 1.003 182 F CB 2.391 39.994 39.000 -2.328 0.000 1.151 182 F HN 0.637 8.940 8.300 -0.545 -0.330 0.474 183 D N 2.756 122.968 120.400 -0.313 0.000 2.263 183 D HA -0.350 4.142 4.640 -0.246 0.000 0.208 183 D C 1.233 177.535 176.300 0.004 0.000 0.971 183 D CA 3.522 57.427 54.000 -0.158 0.000 0.867 183 D CB -0.096 40.713 40.800 0.014 0.000 0.929 183 D HN 0.019 8.278 8.370 -0.184 0.000 0.492 184 W N -2.682 118.734 121.300 0.194 0.000 2.523 184 W HA -0.037 4.702 4.660 0.131 0.000 0.278 184 W C 0.633 177.247 176.519 0.158 0.000 1.236 184 W CA 1.135 58.572 57.345 0.153 0.000 1.306 184 W CB -0.714 28.822 29.460 0.127 0.000 1.101 184 W HN -0.143 7.792 8.180 -0.341 0.040 0.577 185 E N 1.052 121.268 120.200 0.027 0.000 2.442 185 E HA -0.137 4.450 4.350 0.394 0.000 0.195 185 E C 1.509 178.177 176.600 0.115 0.000 1.030 185 E CA 0.921 57.461 56.400 0.234 0.000 0.869 185 E CB -0.056 29.787 29.700 0.239 0.000 0.857 185 E HN -0.868 7.037 8.360 -0.758 0.000 0.505 186 I N 1.806 122.374 120.570 -0.003 0.000 2.118 186 I HA -0.542 3.606 4.170 -0.037 0.000 0.241 186 I C 1.633 177.768 176.117 0.030 0.000 1.070 186 I CA 4.580 65.866 61.300 -0.023 0.000 1.327 186 I CB -0.039 37.908 38.000 -0.089 0.000 1.034 186 I HN -0.135 7.986 8.210 -0.083 0.040 0.405 187 E N -1.859 118.381 120.200 0.067 0.000 2.070 187 E HA -0.525 3.835 4.350 0.016 0.000 0.197 187 E C 2.463 179.086 176.600 0.040 0.000 1.004 187 E CA 3.483 59.914 56.400 0.053 0.000 0.805 187 E CB -0.603 29.147 29.700 0.083 0.000 0.744 187 E HN 0.072 8.482 8.360 0.083 0.000 0.451 188 H N -0.020 119.067 119.070 0.028 0.000 2.290 188 H HA -0.257 4.302 4.556 0.006 0.000 0.298 188 H C 2.604 177.897 175.328 -0.058 0.000 1.087 188 H CA 3.963 60.014 56.048 0.005 0.000 1.291 188 H CB -0.046 29.742 29.762 0.044 0.000 1.369 188 H HN -0.396 8.062 8.280 0.297 0.000 0.492 189 I N -1.330 119.268 120.570 0.046 0.000 2.335 189 I HA -0.612 3.438 4.170 -0.200 0.000 0.251 189 I C 1.795 177.859 176.117 -0.089 0.000 1.129 189 I CA 3.938 65.177 61.300 -0.101 0.000 1.402 189 I CB -0.425 37.521 38.000 -0.091 0.000 1.069 189 I HN -0.017 8.257 8.210 0.107 0.000 0.424 190 K N -0.628 119.742 120.400 -0.050 0.000 2.167 190 K HA -0.052 4.398 4.320 -0.049 -0.159 0.203 190 K C 3.200 179.760 176.600 -0.066 0.000 1.052 190 K CA 2.044 58.302 56.287 -0.050 0.000 0.956 190 K CB -0.270 32.212 32.500 -0.032 0.000 0.735 190 K HN 0.162 8.282 8.250 -0.023 0.117 0.451 191 K N -0.368 119.978 120.400 -0.089 0.000 2.288 191 K HA -0.164 4.101 4.320 -0.092 0.000 0.201 191 K C 1.443 177.982 176.600 -0.102 0.000 1.048 191 K CA 2.565 58.783 56.287 -0.115 0.000 0.956 191 K CB 0.075 32.451 32.500 -0.206 0.000 0.746 191 K HN 0.161 8.124 8.250 -0.087 0.235 0.461 192 V N -7.464 112.391 119.914 -0.100 0.000 3.577 192 V HA 0.242 4.315 4.120 -0.078 0.000 0.294 192 V C 0.628 176.671 176.094 -0.085 0.000 1.317 192 V CA -0.769 61.477 62.300 -0.090 0.000 1.169 192 V CB -0.944 30.818 31.823 -0.100 0.000 1.011 192 V HN -0.552 7.438 8.190 -0.103 0.139 0.426 193 G N 0.250 109.005 108.800 -0.075 0.000 2.198 193 G HA2 -0.417 3.515 3.960 -0.047 0.000 0.260 193 G HA3 -0.417 3.511 3.960 -0.054 0.000 0.260 193 G C -1.131 173.729 174.900 -0.065 0.000 1.025 193 G CA 0.933 45.997 45.100 -0.059 0.000 0.769 193 G HN -0.415 7.644 8.290 -0.074 0.187 0.507 194 L N -1.693 119.471 121.223 -0.099 0.000 2.323 194 L HA 0.117 4.404 4.340 -0.088 0.000 0.265 194 L C -0.212 176.621 176.870 -0.061 0.000 1.012 194 L CA -1.587 53.163 54.840 -0.150 0.000 0.820 194 L CB 1.964 43.805 42.059 -0.363 0.000 1.334 194 L HN -0.651 7.492 8.230 -0.105 0.024 0.427 195 G N -1.895 106.975 108.800 0.116 0.000 2.160 195 G HA2 -0.471 3.862 3.960 0.452 0.000 0.244 195 G HA3 -0.471 3.562 3.960 0.122 0.000 0.244 195 G C 0.044 175.001 174.900 0.095 0.000 1.022 195 G CA 0.798 46.032 45.100 0.223 0.000 0.741 195 G HN 0.224 8.630 8.290 0.194 0.000 0.508 196 K N -0.456 119.991 120.400 0.079 0.000 2.283 196 K HA -0.218 4.115 4.320 0.022 0.000 0.202 196 K C 0.959 177.578 176.600 0.032 0.000 1.048 196 K CA 1.539 57.849 56.287 0.038 0.000 0.948 196 K CB -0.009 32.509 32.500 0.030 0.000 0.742 196 K HN -0.372 7.861 8.250 0.105 0.080 0.458 197 G N -3.551 105.271 108.800 0.037 0.000 3.126 197 G HA2 0.281 4.251 3.960 0.017 0.000 0.224 197 G HA3 0.281 4.495 3.960 0.006 -0.250 0.224 197 G C -0.368 174.534 174.900 0.003 0.000 1.142 197 G CA -0.826 44.282 45.100 0.015 0.000 0.759 197 G HN 0.273 8.472 8.290 0.063 0.128 0.550 198 G N 1.247 110.055 108.800 0.013 0.000 2.299 198 G HA2 -0.086 3.862 3.960 -0.021 0.000 0.256 198 G HA3 -0.086 3.877 3.960 0.004 0.000 0.256 198 G C -1.461 173.428 174.900 -0.018 0.000 1.259 198 G CA 0.488 45.585 45.100 -0.006 0.000 0.943 198 G HN -0.667 7.446 8.290 0.040 0.200 0.479 199 S N 3.115 118.800 115.700 -0.025 0.000 2.697 199 S HA 0.363 4.818 4.470 -0.026 0.000 0.289 199 S C 0.249 174.831 174.600 -0.030 0.000 1.149 199 S CA -1.734 56.452 58.200 -0.023 0.000 0.850 199 S CB 3.100 66.295 63.200 -0.009 0.000 1.151 199 S HN -0.220 8.074 8.310 -0.027 0.000 0.491 200 L N -1.762 119.449 121.223 -0.020 0.000 2.395 200 L HA -0.029 4.490 4.340 -0.028 -0.195 0.218 200 L C 1.261 178.126 176.870 -0.008 0.000 1.130 200 L CA 1.942 56.774 54.840 -0.013 0.000 0.826 200 L CB -0.057 42.011 42.059 0.015 0.000 0.941 200 L HN 0.295 8.518 8.230 -0.012 0.000 0.451 201 K N -3.876 116.520 120.400 -0.007 0.000 2.361 201 K HA -0.147 4.170 4.320 -0.005 0.000 0.196 201 K C -0.248 176.349 176.600 -0.005 0.000 1.039 201 K CA 1.684 57.968 56.287 -0.004 0.000 1.001 201 K CB -0.092 32.408 32.500 0.000 0.000 0.795 201 K HN 0.066 8.265 8.250 -0.006 0.047 0.495 202 N N -4.256 114.438 118.700 -0.009 0.000 2.166 202 N HA 0.342 5.185 4.740 0.003 -0.102 0.213 202 N C -1.200 174.298 175.510 -0.020 0.000 1.222 202 N CA -0.575 52.472 53.050 -0.005 0.000 0.900 202 N CB 2.647 41.134 38.487 -0.000 0.000 1.055 202 N HN -0.666 7.559 8.380 -0.013 0.148 0.515 203 T N 1.433 115.965 114.554 -0.037 0.000 2.890 203 T HA 0.244 4.550 4.350 -0.073 0.000 0.295 203 T C -2.234 172.424 174.700 -0.070 0.000 0.993 203 T CA 0.105 62.165 62.100 -0.066 0.000 0.979 203 T CB 2.053 70.875 68.868 -0.077 0.000 0.967 203 T HN 0.068 8.201 8.240 -0.032 0.088 0.441 204 L N 8.199 129.381 121.223 -0.068 0.000 2.315 204 L HA 0.193 4.513 4.340 -0.034 0.000 0.283 204 L C -2.297 174.524 176.870 -0.082 0.000 1.089 204 L CA -0.065 54.746 54.840 -0.048 0.000 0.833 204 L CB 1.568 43.610 42.059 -0.028 0.000 1.170 204 L HN 0.041 8.227 8.230 -0.073 0.000 0.442 205 V N 7.132 126.996 119.914 -0.083 0.000 2.394 205 V HA 0.476 4.664 4.120 -0.242 -0.212 0.282 205 V C -1.139 174.960 176.094 0.009 0.000 1.031 205 V CA -1.146 61.053 62.300 -0.170 0.000 0.881 205 V CB 1.083 32.685 31.823 -0.368 0.000 0.982 205 V HN 0.164 8.333 8.190 -0.036 0.000 0.451 206 L N 6.153 127.375 121.223 -0.001 0.000 2.331 206 L HA 0.320 4.854 4.340 0.323 0.000 0.275 206 L C -1.480 175.641 176.870 0.419 0.000 1.022 206 L CA -1.338 53.660 54.840 0.264 0.000 0.812 206 L CB 3.083 45.297 42.059 0.258 0.000 1.257 206 L HN 0.940 9.054 8.230 -0.194 0.000 0.435 207 G N -0.962 108.146 108.800 0.514 0.000 2.441 207 G HA2 0.443 4.907 3.960 0.516 0.000 0.334 207 G HA3 0.443 4.676 3.960 0.414 -0.024 0.334 207 G C -0.326 174.888 174.900 0.523 0.000 1.161 207 G CA -1.419 43.981 45.100 0.499 0.000 0.935 207 G HN 0.769 9.245 8.290 0.466 0.093 0.488 208 K N 0.574 121.288 120.400 0.522 0.000 2.189 208 K HA -0.362 4.333 4.320 0.625 0.000 0.207 208 K C -0.395 176.482 176.600 0.461 0.000 1.046 208 K CA 3.035 59.623 56.287 0.502 0.000 0.928 208 K CB 0.244 32.950 32.500 0.344 0.000 0.720 208 K HN -0.106 8.574 8.250 0.503 -0.128 0.458 209 D N -8.236 112.358 120.400 0.322 0.000 2.615 209 D HA 0.071 4.881 4.640 0.283 0.000 0.274 209 D C -1.911 174.302 176.300 -0.145 0.000 1.512 209 D CA -0.507 53.578 54.000 0.141 0.000 0.803 209 D CB 0.021 40.872 40.800 0.085 0.000 1.182 209 D HN -0.024 8.480 8.370 0.266 0.026 0.473 210 K N -1.160 119.210 120.400 -0.051 0.000 2.508 210 K HA 0.265 4.409 4.320 -0.293 0.000 0.260 210 K C -2.183 174.385 176.600 -0.053 0.000 0.949 210 K CA -0.969 55.220 56.287 -0.163 0.000 0.834 210 K CB 3.899 36.305 32.500 -0.157 0.000 1.365 210 K HN -0.939 7.264 8.250 0.155 0.141 0.437 211 V N 2.317 122.170 119.914 -0.102 0.000 2.394 211 V HA -0.021 4.206 4.120 0.178 0.000 0.282 211 V C -0.387 175.702 176.094 -0.008 0.000 1.031 211 V CA 0.044 62.365 62.300 0.034 0.000 0.881 211 V CB 1.186 33.011 31.823 0.003 0.000 0.982 211 V HN 0.272 8.357 8.190 -0.176 0.000 0.451 212 Y N 6.540 126.841 120.300 0.002 0.000 2.153 212 Y HA -0.333 4.214 4.550 -0.006 0.000 0.289 212 Y C 0.479 176.367 175.900 -0.020 0.000 1.127 212 Y CA 2.942 61.037 58.100 -0.008 0.000 1.131 212 Y CB 0.362 38.818 38.460 -0.006 0.000 0.995 212 Y HN -0.226 8.326 8.280 0.454 0.000 0.505 213 N N -1.315 117.472 118.700 0.144 0.000 2.412 213 N HA 0.058 4.832 4.740 0.057 0.000 0.258 213 N C -0.551 174.964 175.510 0.008 0.000 1.236 213 N CA 0.315 53.398 53.050 0.054 0.000 0.882 213 N CB 0.461 38.962 38.487 0.024 0.000 1.066 213 N HN -0.345 8.140 8.380 0.175 0.000 0.465 214 P HA 0.054 4.451 4.420 -0.038 0.000 0.237 214 P C -0.250 177.027 177.300 -0.039 0.000 1.178 214 P CA 1.190 64.273 63.100 -0.028 0.000 0.766 214 P CB 0.255 31.941 31.700 -0.024 0.000 0.876 215 E N -1.765 118.411 120.200 -0.040 0.000 2.478 215 E HA -0.009 4.306 4.350 -0.059 0.000 0.194 215 E C 0.180 176.738 176.600 -0.069 0.000 1.045 215 E CA -0.581 55.785 56.400 -0.058 0.000 0.868 215 E CB 0.225 29.886 29.700 -0.065 0.000 0.885 215 E HN -0.019 8.257 8.360 -0.030 0.066 0.505 216 G N -0.465 108.302 108.800 -0.055 0.000 2.698 216 G HA2 -0.323 3.615 3.960 -0.037 0.000 0.233 216 G HA3 -0.323 3.600 3.960 -0.062 0.000 0.233 216 G C -1.335 173.525 174.900 -0.067 0.000 1.352 216 G CA -0.386 44.682 45.100 -0.054 0.000 0.879 216 G HN -0.738 7.473 8.290 -0.041 0.054 0.567 217 L N -1.394 119.791 121.223 -0.063 0.000 2.395 217 L HA -0.095 4.186 4.340 -0.098 0.000 0.269 217 L C 0.354 177.109 176.870 -0.192 0.000 1.133 217 L CA -0.381 54.401 54.840 -0.097 0.000 0.812 217 L CB 0.611 42.638 42.059 -0.053 0.000 1.125 217 L HN -0.061 8.145 8.230 -0.040 0.000 0.452 218 R N 0.874 121.198 120.500 -0.294 0.000 2.210 218 R HA -0.066 3.963 4.340 -0.518 0.000 0.203 218 R C -0.674 175.031 176.300 -0.992 0.000 1.010 218 R CA 0.964 56.680 56.100 -0.641 0.000 1.008 218 R CB 1.151 31.004 30.300 -0.744 0.000 0.923 218 R HN 0.006 8.421 8.270 -0.219 -0.276 0.469 219 Y N -3.991 116.230 120.300 -0.132 0.000 2.441 219 Y HA 0.131 4.621 4.550 -0.100 0.000 0.334 219 Y C -0.093 175.741 175.900 -0.110 0.000 1.061 219 Y CA -1.575 56.448 58.100 -0.129 0.000 1.032 219 Y CB 2.417 40.763 38.460 -0.189 0.000 1.266 219 Y HN -0.765 7.376 8.280 -0.175 0.034 0.441 220 E N 3.634 123.880 120.200 0.076 0.000 2.339 220 E HA -0.345 4.024 4.350 0.031 0.000 0.201 220 E C -0.970 175.638 176.600 0.014 0.000 1.015 220 E CA 2.405 58.832 56.400 0.045 0.000 0.841 220 E CB -0.399 29.340 29.700 0.066 0.000 0.754 220 E HN 0.686 9.103 8.360 0.096 0.000 0.508 221 N N -5.126 113.574 118.700 0.000 0.000 2.451 221 N HA 0.115 4.811 4.740 -0.073 0.000 0.271 221 N C -0.504 174.893 175.510 -0.189 0.000 1.410 221 N CA -0.687 52.313 53.050 -0.084 0.000 0.884 221 N CB -1.113 37.345 38.487 -0.049 0.000 1.332 221 N HN -0.370 7.955 8.380 0.052 0.087 0.498 222 E N 3.277 123.416 120.200 -0.103 0.000 2.033 222 E HA -0.316 4.023 4.350 -0.020 0.000 0.199 222 E C -0.597 175.877 176.600 -0.209 0.000 1.011 222 E CA 5.415 61.771 56.400 -0.073 0.000 0.815 222 E CB -1.480 28.215 29.700 -0.009 0.000 0.755 222 E HN 0.575 8.809 8.360 -0.052 0.095 0.451 223 P HA -0.147 3.823 4.420 -0.749 0.000 0.216 223 P C 1.140 178.292 177.300 -0.247 0.000 1.150 223 P CA 2.907 65.471 63.100 -0.894 0.000 0.843 223 P CB -0.345 30.177 31.700 -1.963 0.000 0.787 224 V N -5.708 114.168 119.914 -0.063 0.000 2.719 224 V HA -0.251 4.213 4.120 0.573 0.000 0.252 224 V C 1.625 177.796 176.094 0.128 0.000 1.065 224 V CA 1.588 64.072 62.300 0.307 0.000 1.086 224 V CB -0.966 31.090 31.823 0.389 0.000 0.700 224 V HN -0.284 7.790 8.190 -0.175 0.011 0.467 225 R N 0.905 121.295 120.500 -0.183 0.000 2.081 225 R HA -0.395 3.640 4.340 -0.508 0.000 0.235 225 R C 2.128 178.364 176.300 -0.106 0.000 1.131 225 R CA 4.152 60.014 56.100 -0.397 0.000 0.960 225 R CB -0.446 29.448 30.300 -0.677 0.000 0.856 225 R HN 0.186 8.190 8.270 -0.232 0.127 0.436 226 H N 0.353 119.373 119.070 -0.083 0.000 2.357 226 H HA -0.265 4.278 4.556 -0.020 0.000 0.301 226 H C 1.791 177.172 175.328 0.089 0.000 1.082 226 H CA 3.911 59.974 56.048 0.025 0.000 1.342 226 H CB 0.184 30.005 29.762 0.098 0.000 1.389 226 H HN 0.033 8.357 8.280 0.079 0.003 0.511 227 K N -0.629 119.909 120.400 0.231 0.000 2.032 227 K HA -0.400 3.933 4.320 0.022 0.000 0.209 227 K C 2.073 178.573 176.600 -0.166 0.000 1.048 227 K CA 3.129 59.391 56.287 -0.043 0.000 0.927 227 K CB -0.613 31.670 32.500 -0.362 0.000 0.712 227 K HN -0.564 7.807 8.250 0.319 0.070 0.441 228 V N -0.514 119.369 119.914 -0.051 0.000 2.343 228 V HA -0.520 3.579 4.120 -0.036 0.000 0.247 228 V C 1.670 177.716 176.094 -0.079 0.000 1.051 228 V CA 4.806 67.108 62.300 0.003 0.000 1.036 228 V CB -0.093 31.858 31.823 0.213 0.000 0.654 228 V HN -0.295 7.924 8.190 0.048 0.000 0.451 229 F N 1.177 120.968 119.950 -0.264 0.000 2.161 229 F HA -0.395 3.907 4.527 -0.376 0.000 0.300 229 F C 1.393 177.003 175.800 -0.317 0.000 1.089 229 F CA 3.287 61.069 58.000 -0.364 0.000 1.282 229 F CB 0.088 38.802 39.000 -0.476 0.000 1.010 229 F HN -0.007 8.237 8.300 0.034 0.076 0.485 230 D N 0.006 120.234 120.400 -0.286 0.000 2.149 230 D HA -0.200 4.279 4.640 -0.269 0.000 0.201 230 D C 2.137 178.337 176.300 -0.168 0.000 0.972 230 D CA 3.614 57.493 54.000 -0.202 0.000 0.835 230 D CB -0.015 40.803 40.800 0.029 0.000 0.966 230 D HN 0.324 8.384 8.370 -0.177 0.204 0.476 231 L N 0.289 121.403 121.223 -0.183 0.000 2.079 231 L HA -0.323 3.939 4.340 -0.131 0.000 0.210 231 L C 1.156 177.935 176.870 -0.152 0.000 1.081 231 L CA 3.042 57.790 54.840 -0.154 0.000 0.752 231 L CB -0.342 41.631 42.059 -0.142 0.000 0.896 231 L HN 0.106 8.037 8.230 -0.192 0.183 0.433 232 I N -2.213 118.233 120.570 -0.207 0.000 2.233 232 I HA -0.508 3.605 4.170 -0.094 0.000 0.243 232 I C 1.685 177.758 176.117 -0.073 0.000 1.093 232 I CA 4.335 65.540 61.300 -0.158 0.000 1.380 232 I CB -0.561 37.248 38.000 -0.318 0.000 1.067 232 I HN -0.325 7.714 8.210 -0.262 0.013 0.413 233 G N -1.350 107.301 108.800 -0.248 0.000 2.507 233 G HA2 -0.406 3.532 3.960 -0.127 0.000 0.221 233 G HA3 -0.406 3.556 3.960 -0.225 -0.137 0.221 233 G C 1.396 176.286 174.900 -0.017 0.000 1.119 233 G CA 2.386 47.391 45.100 -0.158 0.000 0.751 233 G HN -0.334 7.695 8.290 -0.435 0.000 0.574 234 D N 1.213 121.600 120.400 -0.021 0.000 2.249 234 D HA -0.013 4.643 4.640 0.026 0.000 0.205 234 D C 2.110 178.388 176.300 -0.035 0.000 0.962 234 D CA 2.569 56.573 54.000 0.006 0.000 0.860 234 D CB -0.019 40.801 40.800 0.034 0.000 0.955 234 D HN -0.244 7.971 8.370 -0.058 0.120 0.505 235 L N 0.403 121.592 121.223 -0.057 0.000 2.341 235 L HA -0.162 4.069 4.340 -0.182 0.000 0.214 235 L C 1.265 178.060 176.870 -0.126 0.000 1.115 235 L CA 1.775 56.538 54.840 -0.129 0.000 0.820 235 L CB 0.195 42.142 42.059 -0.186 0.000 0.944 235 L HN -0.279 7.797 8.230 -0.044 0.127 0.452 236 Y N -0.212 119.944 120.300 -0.241 0.000 2.616 236 Y HA -0.136 3.997 4.550 -0.696 0.000 0.296 236 Y C 1.202 176.952 175.900 -0.250 0.000 1.154 236 Y CA 0.477 58.311 58.100 -0.443 0.000 1.325 236 Y CB -0.588 37.617 38.460 -0.425 0.000 1.007 236 Y HN 0.339 8.655 8.280 0.107 0.028 0.542 237 L N -0.375 120.761 121.223 -0.144 0.000 2.189 237 L HA -0.415 3.886 4.340 -0.067 0.000 0.214 237 L C 1.623 178.389 176.870 -0.173 0.000 1.097 237 L CA 2.601 57.382 54.840 -0.099 0.000 0.764 237 L CB -0.576 41.492 42.059 0.015 0.000 0.900 237 L HN -0.615 7.390 8.230 -0.080 0.177 0.436 238 L N -3.691 117.338 121.223 -0.323 0.000 2.447 238 L HA -0.324 3.861 4.340 -0.257 0.000 0.225 238 L C 1.260 177.945 176.870 -0.309 0.000 1.148 238 L CA 1.419 56.053 54.840 -0.344 0.000 0.808 238 L CB -0.115 41.608 42.059 -0.559 0.000 0.928 238 L HN -0.635 7.351 8.230 -0.357 0.029 0.448 239 G N -2.448 106.036 108.800 -0.527 0.000 2.148 239 G HA2 -0.356 3.161 3.960 -0.739 0.000 0.254 239 G HA3 -0.356 3.404 3.960 -0.334 0.000 0.254 239 G C -1.123 173.414 174.900 -0.604 0.000 0.981 239 G CA 0.412 45.165 45.100 -0.579 0.000 0.670 239 G HN 0.552 8.241 8.290 -0.637 0.219 0.528 240 S N -2.290 113.022 115.700 -0.647 0.000 2.535 240 S HA 0.231 4.617 4.470 -0.140 0.000 0.272 240 S C -2.623 171.980 174.600 0.004 0.000 1.149 240 S CA -2.169 55.905 58.200 -0.210 0.000 0.888 240 S CB 1.253 64.459 63.200 0.009 0.000 1.110 240 S HN -0.968 6.853 8.310 -0.742 0.044 0.463 241 P HA -0.089 4.750 4.420 0.698 0.000 0.259 241 P C -1.025 176.568 177.300 0.488 0.000 1.163 241 P CA 0.242 63.679 63.100 0.562 0.000 0.760 241 P CB 0.022 32.069 31.700 0.579 0.000 0.762 242 V N 3.972 124.226 119.914 0.566 0.000 2.481 242 V HA 0.208 4.735 4.120 0.446 -0.139 0.286 242 V C -0.115 176.248 176.094 0.448 0.000 1.042 242 V CA -0.160 62.393 62.300 0.421 0.000 0.928 242 V CB 1.344 33.301 31.823 0.222 0.000 0.986 242 V HN -0.110 8.705 8.190 1.041 0.000 0.462 243 K N 6.338 127.012 120.400 0.457 0.000 2.376 243 K HA 0.332 4.830 4.320 0.297 0.000 0.257 243 K C -1.334 175.457 176.600 0.319 0.000 0.939 243 K CA -1.637 54.848 56.287 0.329 0.000 0.809 243 K CB 2.559 35.178 32.500 0.198 0.000 1.121 243 K HN 0.846 9.411 8.250 0.526 0.000 0.425 244 G N 1.245 110.179 108.800 0.224 0.000 2.336 244 G HA2 -0.036 4.070 3.960 -0.120 0.000 0.300 244 G HA3 -0.036 3.722 3.960 -0.338 0.000 0.300 244 G C -3.092 171.563 174.900 -0.408 0.000 1.375 244 G CA 0.417 45.416 45.100 -0.167 0.000 0.885 244 G HN -0.036 8.414 8.290 0.267 0.000 0.599 245 K N 1.454 121.518 120.400 -0.561 0.000 2.281 245 K HA 0.716 5.119 4.320 -0.115 -0.152 0.272 245 K C -1.522 174.784 176.600 -0.490 0.000 1.048 245 K CA -1.655 54.431 56.287 -0.335 0.000 0.898 245 K CB 1.505 33.913 32.500 -0.154 0.000 1.128 245 K HN 0.494 8.344 8.250 -0.499 0.100 0.460 246 F N 5.353 125.365 119.950 0.103 0.000 2.492 246 F HA 0.652 5.413 4.527 0.144 -0.148 0.327 246 F C -1.266 174.642 175.800 0.180 0.000 1.079 246 F CA -1.996 56.086 58.000 0.135 0.000 0.967 246 F CB 3.058 42.126 39.000 0.113 0.000 1.169 246 F HN 0.928 9.348 8.300 0.374 0.104 0.472 247 Y N 1.838 122.293 120.300 0.257 0.000 2.462 247 Y HA 0.517 5.345 4.550 0.214 -0.150 0.346 247 Y C -1.960 174.081 175.900 0.234 0.000 0.976 247 Y CA -1.678 56.546 58.100 0.207 0.000 1.044 247 Y CB 4.329 42.869 38.460 0.132 0.000 1.230 247 Y HN 0.962 9.507 8.280 0.441 0.000 0.455 248 S N 5.779 121.501 115.700 0.037 0.000 2.614 248 S HA 0.401 5.088 4.470 0.362 0.000 0.288 248 S C -2.460 172.347 174.600 0.345 0.000 1.137 248 S CA -0.771 57.593 58.200 0.274 0.000 0.992 248 S CB 2.518 65.842 63.200 0.207 0.000 1.026 248 S HN 0.954 8.824 8.310 -0.568 0.099 0.486 249 F N 6.603 126.731 119.950 0.296 0.000 2.388 249 F HA 0.494 5.221 4.527 0.115 -0.131 0.358 249 F C -1.073 174.841 175.800 0.191 0.000 1.122 249 F CA -2.334 55.795 58.000 0.216 0.000 1.056 249 F CB 2.157 41.291 39.000 0.223 0.000 1.155 249 F HN 0.813 9.419 8.300 0.511 0.000 0.461 250 R N 4.116 124.281 120.500 -0.559 0.000 3.158 250 R HA -0.415 3.857 4.340 -0.112 0.000 0.244 250 R C -1.556 174.628 176.300 -0.193 0.000 0.900 250 R CA 0.885 56.694 56.100 -0.486 0.000 0.618 250 R CB -2.253 27.376 30.300 -1.118 0.000 1.061 250 R HN -0.003 8.054 8.270 -0.355 0.000 0.471 251 G N -3.686 105.121 108.800 0.013 0.000 2.451 251 G HA2 0.109 4.057 3.960 -0.020 0.000 0.303 251 G HA3 0.109 4.065 3.960 -0.006 0.000 0.303 251 G C -1.946 172.875 174.900 -0.131 0.000 1.166 251 G CA -0.824 44.255 45.100 -0.036 0.000 0.884 251 G HN -0.482 7.943 8.290 0.225 0.000 0.514 252 G N -2.330 106.397 108.800 -0.121 0.000 3.108 252 G HA2 0.337 4.116 3.960 -0.301 0.000 0.268 252 G HA3 0.337 4.236 3.960 -0.101 0.000 0.268 252 G C -0.106 174.661 174.900 -0.223 0.000 1.361 252 G CA -1.804 43.180 45.100 -0.193 0.000 1.047 252 G HN -0.403 7.849 8.290 -0.063 0.000 0.540 253 H N -0.016 119.029 119.070 -0.041 0.000 2.307 253 H HA -0.035 4.495 4.556 -0.043 0.000 0.303 253 H C 2.416 177.731 175.328 -0.020 0.000 1.073 253 H CA 4.052 60.078 56.048 -0.037 0.000 1.338 253 H CB 0.116 29.852 29.762 -0.042 0.000 1.389 253 H HN 0.356 8.576 8.280 -0.099 0.000 0.503 254 S N 0.181 115.952 115.700 0.118 0.000 2.351 254 S HA -0.288 4.223 4.470 0.068 0.000 0.220 254 S C 2.224 176.858 174.600 0.056 0.000 1.035 254 S CA 3.822 62.066 58.200 0.073 0.000 1.031 254 S CB -0.565 62.674 63.200 0.065 0.000 0.928 254 S HN 0.119 8.509 8.310 0.135 0.000 0.433 255 L N 1.611 122.861 121.223 0.044 0.000 2.043 255 L HA -0.320 4.051 4.340 0.052 0.000 0.212 255 L C 1.299 178.192 176.870 0.038 0.000 1.075 255 L CA 3.008 57.874 54.840 0.043 0.000 0.752 255 L CB -0.399 41.684 42.059 0.040 0.000 0.891 255 L HN 0.127 8.381 8.230 0.040 0.000 0.432 256 N N -0.692 118.019 118.700 0.017 0.000 2.025 256 N HA -0.356 4.390 4.740 0.011 0.000 0.194 256 N C 2.497 178.016 175.510 0.014 0.000 1.044 256 N CA 3.098 56.151 53.050 0.006 0.000 0.851 256 N CB -0.466 38.006 38.487 -0.025 0.000 1.036 256 N HN -0.651 7.655 8.380 0.003 0.075 0.422 257 V N 1.783 121.717 119.914 0.033 0.000 2.380 257 V HA -0.600 3.531 4.120 0.017 0.000 0.251 257 V C 1.765 177.880 176.094 0.034 0.000 1.063 257 V CA 4.722 67.043 62.300 0.036 0.000 1.055 257 V CB -0.212 31.647 31.823 0.060 0.000 0.657 257 V HN 0.467 8.687 8.190 0.050 0.000 0.455 258 K N 0.007 120.434 120.400 0.045 0.000 2.044 258 K HA -0.394 3.960 4.320 0.056 0.000 0.210 258 K C 2.103 178.728 176.600 0.041 0.000 1.049 258 K CA 3.763 60.080 56.287 0.050 0.000 0.927 258 K CB -0.191 32.342 32.500 0.055 0.000 0.713 258 K HN -0.226 7.961 8.250 0.047 0.091 0.443 259 L N -0.397 120.851 121.223 0.042 0.000 1.990 259 L HA -0.417 3.966 4.340 0.072 0.000 0.213 259 L C 1.427 178.301 176.870 0.008 0.000 1.072 259 L CA 3.594 58.464 54.840 0.051 0.000 0.755 259 L CB -0.204 41.897 42.059 0.070 0.000 0.889 259 L HN -0.471 7.708 8.230 0.043 0.077 0.432 260 V N -1.008 118.876 119.914 -0.050 0.000 2.343 260 V HA -0.589 3.415 4.120 -0.194 0.000 0.247 260 V C 2.036 178.024 176.094 -0.177 0.000 1.051 260 V CA 4.781 66.984 62.300 -0.162 0.000 1.036 260 V CB -0.785 30.919 31.823 -0.198 0.000 0.654 260 V HN -0.416 7.688 8.190 -0.036 0.065 0.451 261 K N 0.590 120.952 120.400 -0.063 0.000 2.009 261 K HA -0.323 4.018 4.320 0.035 0.000 0.210 261 K C 2.611 179.223 176.600 0.020 0.000 1.049 261 K CA 3.305 59.602 56.287 0.017 0.000 0.929 261 K CB -0.410 32.142 32.500 0.087 0.000 0.714 261 K HN 0.484 8.536 8.250 -0.019 0.187 0.440 262 E N -0.690 119.529 120.200 0.033 0.000 2.077 262 E HA -0.287 4.099 4.350 0.060 0.000 0.193 262 E C 2.723 179.360 176.600 0.061 0.000 0.989 262 E CA 3.046 59.478 56.400 0.053 0.000 0.800 262 E CB -0.073 29.664 29.700 0.061 0.000 0.746 262 E HN -0.193 8.187 8.360 0.033 0.000 0.452 263 L N -0.377 120.874 121.223 0.048 0.000 2.017 263 L HA -0.299 4.133 4.340 0.153 0.000 0.208 263 L C 2.490 179.438 176.870 0.130 0.000 1.073 263 L CA 3.314 58.217 54.840 0.104 0.000 0.745 263 L CB -0.240 41.857 42.059 0.063 0.000 0.894 263 L HN 0.354 8.597 8.230 0.022 0.000 0.432 264 A N -2.836 119.974 122.820 -0.016 0.000 2.014 264 A HA -0.315 4.106 4.320 0.168 0.000 0.218 264 A C 0.980 178.625 177.584 0.102 0.000 1.163 264 A CA 2.661 54.707 52.037 0.014 0.000 0.652 264 A CB -0.350 18.468 19.000 -0.303 0.000 0.808 264 A HN 0.493 8.458 8.150 -0.122 0.111 0.449 265 K N -3.844 116.608 120.400 0.087 0.000 2.262 265 K HA -0.126 4.258 4.320 0.107 0.000 0.200 265 K C 3.076 179.728 176.600 0.086 0.000 1.049 265 K CA 2.055 58.400 56.287 0.096 0.000 0.979 265 K CB 0.080 32.632 32.500 0.087 0.000 0.773 265 K HN -0.189 7.979 8.250 0.060 0.118 0.474 266 K N 1.337 121.791 120.400 0.091 0.000 2.031 266 K HA -0.218 4.142 4.320 0.066 0.000 0.205 266 K C 2.266 178.915 176.600 0.081 0.000 1.049 266 K CA 3.023 59.359 56.287 0.081 0.000 0.939 266 K CB 0.232 32.784 32.500 0.087 0.000 0.717 266 K HN 0.262 8.374 8.250 0.096 0.195 0.438 267 Q N -3.616 116.252 119.800 0.113 0.000 2.431 267 Q HA -0.061 4.303 4.340 0.040 0.000 0.210 267 Q C 1.224 177.263 176.000 0.064 0.000 0.958 267 Q CA 0.092 55.941 55.803 0.076 0.000 0.957 267 Q CB -1.020 27.768 28.738 0.085 0.000 1.007 267 Q HN -0.352 8.012 8.270 0.157 0.000 0.511 268 K N 1.125 121.570 120.400 0.075 0.000 2.147 268 K HA -0.232 4.134 4.320 0.077 0.000 0.205 268 K C 0.902 177.525 176.600 0.039 0.000 1.049 268 K CA 2.583 58.909 56.287 0.065 0.000 0.936 268 K CB -0.496 32.043 32.500 0.066 0.000 0.722 268 K HN -0.670 7.399 8.250 0.082 0.230 0.446 269 L N -3.439 117.803 121.223 0.030 0.000 2.191 269 L HA -0.190 4.161 4.340 0.018 0.000 0.212 269 L C 1.051 177.925 176.870 0.006 0.000 1.103 269 L CA 1.406 56.257 54.840 0.017 0.000 0.769 269 L CB 0.233 42.300 42.059 0.014 0.000 0.908 269 L HN -0.040 8.195 8.230 0.035 0.017 0.438 270 T N 0.000 114.553 114.554 -0.002 0.000 3.816 270 T HA 0.000 4.340 4.350 -0.017 0.000 0.228 270 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 270 T CB 0.000 68.846 68.868 -0.037 0.000 0.612 270 T HN 0.000 8.104 8.240 0.004 0.138 0.658