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 3mwo_1_B DATA FIRST_RESID 4 DATA SEQUENCE HWGYGKHNGP EHWHKDFPIA KGERQSPVDI DTHTAKYDPS LKPLSVSYDQ DATA SEQUENCE ATSLRILNNG HAFNVEFDDS QDKAVLKGGP LDGTYRLIQF HFHWGSLDGQ DATA SEQUENCE GSEHTVDKKK YAAELHLVHW NTXKYGDFGK AVQQPDGLAV LGIFLKVGSA DATA SEQUENCE KPGLQKVVDV LDSIKTKGKS ADFTNFDPRG LLPESLDYWT YPGSLTTPPL DATA SEQUENCE LECVTWIVLK EPISVSSEQV LKFRKLNFNG EGEPEELMVD NWRPAQPLKN DATA SEQUENCE RQIKASFK 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 4 H HA 0.000 4.575 4.556 0.031 0.000 0.296 4 H C 0.000 175.299 175.328 -0.048 0.000 0.993 4 H CA 0.000 56.020 56.048 -0.047 0.000 1.023 4 H CB 0.000 29.671 29.762 -0.152 0.000 1.292 5 W N 1.415 122.381 121.300 -0.556 0.000 2.112 5 W HA -0.075 4.502 4.660 -0.138 0.000 0.349 5 W C -1.658 174.695 176.519 -0.277 0.000 1.289 5 W CA -0.729 56.391 57.345 -0.375 0.000 1.256 5 W CB 0.877 29.939 29.460 -0.663 0.000 1.148 5 W HN 0.037 7.760 8.180 -0.762 0.000 0.590 6 G N -2.459 106.359 108.800 0.030 0.000 2.604 6 G HA2 0.212 3.831 3.960 -0.568 0.000 0.242 6 G HA3 0.212 3.979 3.960 -0.323 0.000 0.242 6 G C -2.637 172.154 174.900 -0.181 0.000 1.208 6 G CA 0.123 45.060 45.100 -0.272 0.000 0.912 6 G HN -0.079 8.443 8.290 0.386 0.000 0.502 7 Y N -0.321 119.914 120.300 -0.109 0.000 2.707 7 Y HA 0.250 4.807 4.550 0.011 0.000 0.249 7 Y C -0.670 175.142 175.900 -0.147 0.000 1.166 7 Y CA -0.807 57.241 58.100 -0.087 0.000 1.184 7 Y CB 0.756 39.158 38.460 -0.095 0.000 1.240 7 Y HN 0.157 8.295 8.280 -0.236 0.000 0.547 8 G N 0.030 108.801 108.800 -0.049 0.000 2.563 8 G HA2 0.223 4.171 3.960 -0.020 0.000 0.283 8 G HA3 0.223 4.155 3.960 -0.046 0.000 0.283 8 G C -0.884 173.971 174.900 -0.076 0.000 1.309 8 G CA -0.753 44.320 45.100 -0.045 0.000 1.022 8 G HN -0.333 8.154 8.290 -0.083 -0.247 0.501 9 K N -1.722 118.590 120.400 -0.146 0.000 2.147 9 K HA -0.289 3.918 4.320 -0.189 0.000 0.205 9 K C 1.165 177.536 176.600 -0.382 0.000 1.049 9 K CA 2.357 58.463 56.287 -0.302 0.000 0.936 9 K CB 0.149 32.357 32.500 -0.486 0.000 0.722 9 K HN 0.317 8.494 8.250 -0.122 0.000 0.446 10 H N -7.871 111.142 119.070 -0.095 0.000 2.622 10 H HA 0.200 4.577 4.556 -0.299 0.000 0.269 10 H C -0.368 174.568 175.328 -0.654 0.000 0.977 10 H CA 0.803 56.669 56.048 -0.304 0.000 1.179 10 H CB 0.598 30.250 29.762 -0.183 0.000 1.458 10 H HN 0.001 8.173 8.280 -0.143 0.023 0.531 11 N N -3.245 115.320 118.700 -0.226 0.000 2.232 11 N HA 0.085 4.713 4.740 -0.186 0.000 0.240 11 N C -0.391 175.220 175.510 0.168 0.000 1.307 11 N CA -0.827 52.174 53.050 -0.083 0.000 0.859 11 N CB 0.369 38.848 38.487 -0.013 0.000 1.260 11 N HN -0.906 7.406 8.380 -0.112 0.000 0.501 12 G N 1.552 110.415 108.800 0.105 0.000 2.553 12 G HA2 0.232 4.431 3.960 -0.020 0.000 0.278 12 G HA3 0.232 4.196 3.960 -0.110 -0.070 0.278 12 G C -1.629 172.932 174.900 -0.565 0.000 1.349 12 G CA -1.578 43.477 45.100 -0.074 0.000 1.037 12 G HN -0.593 7.763 8.290 0.110 0.000 0.508 13 P HA -0.269 2.023 4.420 -3.547 0.000 0.217 13 P C 1.071 177.859 177.300 -0.853 0.000 1.148 13 P CA 2.316 64.331 63.100 -1.808 0.000 0.834 13 P CB -0.087 30.915 31.700 -1.164 0.000 0.783 14 E N -3.505 116.408 120.200 -0.479 0.000 2.409 14 E HA -0.291 3.908 4.350 -0.251 0.000 0.198 14 E C 0.385 176.854 176.600 -0.218 0.000 1.024 14 E CA 2.267 58.481 56.400 -0.311 0.000 0.861 14 E CB -1.631 27.872 29.700 -0.328 0.000 0.788 14 E HN 0.419 8.495 8.360 -0.435 0.023 0.521 15 H N -3.015 116.018 119.070 -0.060 0.000 2.595 15 H HA 0.244 4.839 4.556 0.065 0.000 0.265 15 H C 1.728 177.149 175.328 0.154 0.000 0.953 15 H CA 1.395 57.481 56.048 0.063 0.000 1.197 15 H CB 1.105 30.912 29.762 0.074 0.000 1.438 15 H HN -0.131 7.940 8.280 -0.082 0.159 0.531 16 W N -0.638 120.737 121.300 0.124 0.000 2.374 16 W HA -0.284 4.458 4.660 0.137 0.000 0.288 16 W C 1.322 177.905 176.519 0.106 0.000 1.218 16 W CA 2.632 60.039 57.345 0.103 0.000 1.245 16 W CB -1.350 28.108 29.460 -0.004 0.000 1.126 16 W HN -0.735 7.565 8.180 0.200 0.000 0.545 17 H N -3.673 115.559 119.070 0.270 0.000 2.489 17 H HA -0.125 4.766 4.556 0.182 -0.226 0.293 17 H C 2.018 177.403 175.328 0.093 0.000 1.066 17 H CA 1.942 58.084 56.048 0.158 0.000 1.305 17 H CB -0.906 28.903 29.762 0.079 0.000 1.386 17 H HN 0.122 8.645 8.280 0.443 0.023 0.551 18 K N -0.871 119.197 120.400 -0.553 0.000 2.097 18 K HA -0.272 3.824 4.320 -0.373 0.000 0.205 18 K C 1.510 177.972 176.600 -0.231 0.000 1.050 18 K CA 2.639 58.694 56.287 -0.386 0.000 0.938 18 K CB -0.154 32.155 32.500 -0.318 0.000 0.718 18 K HN -0.550 7.322 8.250 -0.572 0.034 0.442 19 D N -3.500 116.745 120.400 -0.259 0.000 2.327 19 D HA -0.009 4.353 4.640 -0.464 0.000 0.205 19 D C 0.183 175.950 176.300 -0.889 0.000 0.989 19 D CA 1.735 55.386 54.000 -0.583 0.000 0.873 19 D CB 1.229 41.575 40.800 -0.757 0.000 0.955 19 D HN -0.702 7.571 8.370 -0.161 0.000 0.515 20 F N -1.716 118.198 119.950 -0.060 0.000 2.660 20 F HA 0.519 5.009 4.527 -0.061 0.000 0.352 20 F C -1.966 173.841 175.800 0.011 0.000 1.257 20 F CA -3.393 54.573 58.000 -0.057 0.000 1.200 20 F CB 0.208 39.126 39.000 -0.137 0.000 1.473 20 F HN -0.380 7.814 8.300 -0.029 0.088 0.561 21 P HA -0.141 4.515 4.420 0.162 -0.139 0.221 21 P C 1.138 178.513 177.300 0.126 0.000 1.145 21 P CA 1.908 65.081 63.100 0.121 0.000 0.795 21 P CB 0.139 31.877 31.700 0.065 0.000 0.775 22 I N -2.953 117.688 120.570 0.120 0.000 2.850 22 I HA -0.261 3.955 4.170 0.076 0.000 0.266 22 I C 0.515 176.694 176.117 0.104 0.000 1.257 22 I CA 0.031 61.387 61.300 0.094 0.000 1.465 22 I CB -0.686 37.360 38.000 0.076 0.000 1.091 22 I HN -0.379 7.875 8.210 0.129 0.033 0.467 23 A N 0.313 123.223 122.820 0.149 0.000 2.032 23 A HA -0.246 4.339 4.320 0.142 -0.179 0.221 23 A C 1.065 178.708 177.584 0.099 0.000 1.165 23 A CA 2.538 54.669 52.037 0.156 0.000 0.645 23 A CB -0.314 18.838 19.000 0.254 0.000 0.807 23 A HN -0.121 8.089 8.150 0.186 0.052 0.453 24 K N -3.823 116.623 120.400 0.078 0.000 2.498 24 K HA 0.181 4.507 4.320 0.010 0.000 0.207 24 K C -0.492 176.126 176.600 0.030 0.000 1.033 24 K CA -1.186 55.116 56.287 0.026 0.000 1.138 24 K CB -0.069 32.424 32.500 -0.011 0.000 0.860 24 K HN -0.640 7.637 8.250 0.095 0.030 0.490 25 G N -0.943 107.886 108.800 0.048 0.000 2.588 25 G HA2 -0.045 3.939 3.960 0.041 0.000 0.278 25 G HA3 -0.045 4.135 3.960 0.054 -0.188 0.278 25 G C 0.354 175.281 174.900 0.045 0.000 1.307 25 G CA -0.668 44.460 45.100 0.047 0.000 1.016 25 G HN -0.254 7.912 8.290 0.060 0.160 0.503 26 E N -1.571 118.659 120.200 0.049 0.000 2.442 26 E HA -0.025 4.350 4.350 0.042 0.000 0.195 26 E C -0.552 176.091 176.600 0.073 0.000 1.030 26 E CA 0.588 57.019 56.400 0.051 0.000 0.869 26 E CB 0.364 30.091 29.700 0.045 0.000 0.857 26 E HN 0.360 8.749 8.360 0.049 0.000 0.505 27 R N -4.227 116.328 120.500 0.092 0.000 2.638 27 R HA 0.262 4.691 4.340 0.149 0.000 0.269 27 R C -1.298 175.100 176.300 0.164 0.000 1.393 27 R CA -1.402 54.780 56.100 0.137 0.000 1.531 27 R CB -0.037 30.347 30.300 0.141 0.000 1.327 27 R HN -0.552 8.064 8.270 0.085 -0.295 0.709 28 Q N 0.905 120.786 119.800 0.135 0.000 2.260 28 Q HA 0.136 4.564 4.340 0.146 0.000 0.242 28 Q C -0.771 175.319 176.000 0.149 0.000 0.932 28 Q CA -0.720 55.162 55.803 0.132 0.000 0.891 28 Q CB 2.243 31.031 28.738 0.084 0.000 1.222 28 Q HN 0.093 8.428 8.270 0.107 0.000 0.453 29 S N 1.098 116.882 115.700 0.140 0.000 2.599 29 S HA 0.590 5.068 4.470 0.013 0.000 0.294 29 S C -2.534 172.032 174.600 -0.058 0.000 1.094 29 S CA -2.713 55.508 58.200 0.036 0.000 0.931 29 S CB 2.037 65.265 63.200 0.046 0.000 1.093 29 S HN 0.142 8.543 8.310 0.151 0.000 0.488 30 P HA 0.368 4.315 4.420 -0.789 0.000 0.289 30 P C -1.184 175.923 177.300 -0.322 0.000 1.299 30 P CA -1.053 61.682 63.100 -0.608 0.000 0.766 30 P CB 1.366 32.540 31.700 -0.876 0.000 1.226 31 V N -8.982 110.733 119.914 -0.333 0.000 3.130 31 V HA 0.432 4.445 4.120 -0.178 0.000 0.310 31 V C -1.566 174.442 176.094 -0.143 0.000 1.158 31 V CA -3.274 58.891 62.300 -0.224 0.000 1.029 31 V CB 3.375 34.978 31.823 -0.367 0.000 1.057 31 V HN -0.499 7.457 8.190 -0.390 0.000 0.436 32 D N 0.867 121.187 120.400 -0.133 0.000 2.351 32 D HA 0.055 4.769 4.640 -0.084 -0.124 0.251 32 D C 0.272 176.464 176.300 -0.179 0.000 1.137 32 D CA 0.437 54.367 54.000 -0.117 0.000 0.879 32 D CB 0.668 41.409 40.800 -0.099 0.000 1.181 32 D HN 0.213 8.505 8.370 -0.130 0.000 0.448 33 I N 6.752 127.193 120.570 -0.216 0.000 2.281 33 I HA -0.042 3.915 4.170 -0.355 0.000 0.293 33 I C -1.376 174.531 176.117 -0.350 0.000 1.085 33 I CA -0.630 60.443 61.300 -0.378 0.000 1.257 33 I CB 0.514 38.129 38.000 -0.642 0.000 1.430 33 I HN 0.517 8.622 8.210 -0.176 0.000 0.489 34 D N 8.065 128.318 120.400 -0.245 0.000 2.374 34 D HA 0.260 5.000 4.640 -0.130 -0.177 0.240 34 D C 1.333 177.518 176.300 -0.192 0.000 1.229 34 D CA -1.485 52.424 54.000 -0.152 0.000 0.895 34 D CB 0.309 41.071 40.800 -0.064 0.000 1.046 34 D HN 0.302 8.540 8.370 -0.220 0.000 0.498 35 T N 4.127 118.519 114.554 -0.269 0.000 3.007 35 T HA -0.173 4.085 4.350 -0.154 0.000 0.270 35 T C 1.410 175.976 174.700 -0.222 0.000 1.107 35 T CA 2.441 64.399 62.100 -0.236 0.000 1.118 35 T CB 0.072 68.828 68.868 -0.187 0.000 0.889 35 T HN 0.325 8.699 8.240 -0.276 -0.300 0.506 36 H N -0.793 118.292 119.070 0.024 0.000 2.544 36 H HA 0.154 4.735 4.556 0.043 0.000 0.269 36 H C 1.166 176.502 175.328 0.014 0.000 0.970 36 H CA 1.633 57.697 56.048 0.026 0.000 1.219 36 H CB 0.695 30.466 29.762 0.014 0.000 1.421 36 H HN -0.394 7.955 8.280 -0.160 -0.166 0.555 37 T N -5.555 109.049 114.554 0.085 0.000 3.023 37 T HA 0.059 4.447 4.350 0.062 0.000 0.253 37 T C 0.154 174.873 174.700 0.031 0.000 1.038 37 T CA -0.567 61.563 62.100 0.050 0.000 0.962 37 T CB 1.051 69.936 68.868 0.029 0.000 1.018 37 T HN -0.698 7.705 8.240 0.048 -0.134 0.521 38 A N 2.739 125.573 122.820 0.022 0.000 2.511 38 A HA -0.141 4.372 4.320 0.052 -0.162 0.242 38 A C -1.303 176.318 177.584 0.062 0.000 1.069 38 A CA 0.453 52.523 52.037 0.056 0.000 0.763 38 A CB 0.822 19.891 19.000 0.114 0.000 1.001 38 A HN -0.677 7.475 8.150 0.004 0.000 0.498 39 K N 4.365 124.801 120.400 0.060 0.000 2.213 39 K HA 0.234 4.586 4.320 0.053 0.000 0.270 39 K C -0.698 175.923 176.600 0.035 0.000 1.002 39 K CA -1.689 54.625 56.287 0.046 0.000 0.868 39 K CB 2.330 34.848 32.500 0.030 0.000 1.093 39 K HN -0.286 8.005 8.250 0.068 0.000 0.454 40 Y N 8.847 129.080 120.300 -0.112 0.000 2.632 40 Y HA -0.150 4.440 4.550 -0.237 -0.182 0.329 40 Y C -0.683 175.160 175.900 -0.095 0.000 1.174 40 Y CA -0.310 57.693 58.100 -0.162 0.000 1.469 40 Y CB 0.288 38.649 38.460 -0.165 0.000 1.242 40 Y HN 0.464 8.833 8.280 0.148 0.000 0.540 41 D N 8.530 128.586 120.400 -0.573 0.000 2.446 41 D HA 0.462 4.832 4.640 -0.450 0.000 0.251 41 D C -1.651 174.231 176.300 -0.697 0.000 1.137 41 D CA -3.256 50.440 54.000 -0.506 0.000 0.890 41 D CB 0.980 41.654 40.800 -0.210 0.000 1.071 41 D HN 0.098 8.201 8.370 -0.445 0.000 0.528 42 P HA -0.030 4.043 4.420 -0.579 0.000 0.225 42 P C -0.076 177.090 177.300 -0.224 0.000 1.148 42 P CA 0.991 63.768 63.100 -0.538 0.000 0.779 42 P CB 0.291 31.793 31.700 -0.330 0.000 0.780 43 S N -2.873 112.714 115.700 -0.189 0.000 2.527 43 S HA -0.106 4.321 4.470 -0.072 0.000 0.222 43 S C 0.208 174.773 174.600 -0.057 0.000 0.985 43 S CA 0.510 58.654 58.200 -0.093 0.000 0.921 43 S CB 0.247 63.404 63.200 -0.071 0.000 0.772 43 S HN -0.401 7.981 8.310 -0.222 -0.205 0.529 44 L N 2.469 123.649 121.223 -0.071 0.000 2.462 44 L HA -0.255 4.106 4.340 0.036 0.000 0.272 44 L C 0.037 176.929 176.870 0.036 0.000 1.166 44 L CA 0.693 55.538 54.840 0.009 0.000 0.880 44 L CB -0.171 41.897 42.059 0.015 0.000 1.142 44 L HN -0.792 7.329 8.230 -0.129 0.032 0.473 45 K N 6.410 126.847 120.400 0.062 0.000 2.138 45 K HA 0.177 4.519 4.320 0.037 0.000 0.251 45 K C -1.510 175.153 176.600 0.105 0.000 1.015 45 K CA -2.022 54.298 56.287 0.055 0.000 0.917 45 K CB -0.916 31.601 32.500 0.027 0.000 1.021 45 K HN 0.074 8.361 8.250 0.062 0.000 0.485 46 P HA -0.067 4.436 4.420 0.139 0.000 0.269 46 P C -1.119 176.217 177.300 0.060 0.000 1.209 46 P CA 0.028 63.181 63.100 0.089 0.000 0.776 46 P CB 0.215 31.934 31.700 0.033 0.000 0.876 47 L N 2.525 123.788 121.223 0.067 0.000 2.456 47 L HA -0.014 4.242 4.340 -0.140 0.000 0.272 47 L C 0.010 176.815 176.870 -0.109 0.000 1.189 47 L CA 0.581 55.367 54.840 -0.090 0.000 0.846 47 L CB 0.695 42.657 42.059 -0.162 0.000 1.111 47 L HN 0.325 8.646 8.230 0.153 0.000 0.475 48 S N 5.836 121.446 115.700 -0.150 0.000 2.498 48 S HA 0.282 4.671 4.470 -0.136 0.000 0.324 48 S C -1.470 172.993 174.600 -0.230 0.000 1.071 48 S CA -1.226 56.882 58.200 -0.153 0.000 1.113 48 S CB 0.382 63.513 63.200 -0.114 0.000 0.976 48 S HN 0.432 8.643 8.310 -0.166 0.000 0.462 49 V N 8.963 128.709 119.914 -0.281 0.000 2.313 49 V HA 0.227 4.045 4.120 -0.503 0.000 0.278 49 V C -0.689 175.151 176.094 -0.424 0.000 1.017 49 V CA -0.901 61.117 62.300 -0.471 0.000 0.823 49 V CB 1.260 32.733 31.823 -0.582 0.000 1.010 49 V HN 0.512 8.557 8.190 -0.242 0.000 0.443 50 S N 8.787 124.293 115.700 -0.324 0.000 2.426 50 S HA 0.373 4.766 4.470 -0.127 0.000 0.236 50 S C -1.401 173.235 174.600 0.060 0.000 1.368 50 S CA -1.308 56.817 58.200 -0.125 0.000 1.154 50 S CB -0.099 63.066 63.200 -0.059 0.000 1.037 50 S HN 0.410 8.543 8.310 -0.294 0.000 0.481 51 Y N 3.951 124.230 120.300 -0.034 0.000 2.555 51 Y HA 0.192 4.722 4.550 -0.034 0.000 0.259 51 Y C 1.005 176.899 175.900 -0.011 0.000 1.179 51 Y CA -2.119 55.964 58.100 -0.030 0.000 1.230 51 Y CB 0.094 38.531 38.460 -0.039 0.000 1.146 51 Y HN 0.450 8.745 8.280 0.024 0.000 0.526 52 D N 0.695 121.171 120.400 0.126 0.000 2.178 52 D HA -0.209 4.472 4.640 0.069 0.000 0.201 52 D C 0.739 177.080 176.300 0.068 0.000 0.980 52 D CA 2.502 56.546 54.000 0.073 0.000 0.842 52 D CB -0.054 40.769 40.800 0.038 0.000 0.948 52 D HN 0.017 8.445 8.370 0.097 0.000 0.472 53 Q N -3.200 116.645 119.800 0.077 0.000 2.204 53 Q HA 0.134 4.509 4.340 0.059 0.000 0.209 53 Q C -0.900 175.154 176.000 0.091 0.000 0.861 53 Q CA -1.469 54.376 55.803 0.069 0.000 0.971 53 Q CB -0.152 28.619 28.738 0.055 0.000 1.095 53 Q HN -0.355 7.947 8.270 0.085 0.019 0.486 54 A N 0.778 123.663 122.820 0.108 0.000 2.540 54 A HA -0.103 4.297 4.320 0.134 0.000 0.239 54 A C -0.342 177.383 177.584 0.235 0.000 1.061 54 A CA 0.965 53.093 52.037 0.151 0.000 0.758 54 A CB 0.186 19.221 19.000 0.059 0.000 0.991 54 A HN -0.733 7.320 8.150 0.108 0.162 0.502 55 T N -0.406 114.337 114.554 0.315 0.000 2.977 55 T HA 0.239 4.669 4.350 0.134 0.000 0.346 55 T C -0.274 174.500 174.700 0.122 0.000 1.140 55 T CA -2.230 59.983 62.100 0.189 0.000 1.040 55 T CB 0.468 69.405 68.868 0.115 0.000 1.046 55 T HN 0.095 8.561 8.240 0.377 0.000 0.494 56 S N 5.859 121.493 115.700 -0.110 0.000 2.585 56 S HA 0.083 3.978 4.470 -1.160 -0.120 0.273 56 S C 0.047 174.486 174.600 -0.267 0.000 1.339 56 S CA -0.211 57.621 58.200 -0.614 0.000 1.028 56 S CB 1.267 64.121 63.200 -0.576 0.000 0.906 56 S HN 0.404 8.710 8.310 -0.007 0.000 0.528 57 L N -0.167 120.904 121.223 -0.254 0.000 2.663 57 L HA 0.347 4.638 4.340 -0.082 0.000 0.218 57 L C -0.179 176.660 176.870 -0.052 0.000 1.043 57 L CA 0.674 55.450 54.840 -0.108 0.000 0.876 57 L CB 2.160 44.177 42.059 -0.070 0.000 1.263 57 L HN 0.774 8.793 8.230 -0.352 0.000 0.486 58 R N -2.746 117.717 120.500 -0.063 0.000 2.692 58 R HA 0.498 5.066 4.340 0.026 -0.213 0.269 58 R C -2.908 173.341 176.300 -0.085 0.000 1.030 58 R CA -0.675 55.409 56.100 -0.027 0.000 0.882 58 R CB 4.565 34.835 30.300 -0.051 0.000 1.250 58 R HN -0.792 7.401 8.270 -0.128 0.000 0.465 59 I N 2.016 122.508 120.570 -0.130 0.000 2.509 59 I HA 0.916 5.164 4.170 -0.237 -0.221 0.293 59 I C -3.021 173.000 176.117 -0.160 0.000 1.020 59 I CA -2.487 58.664 61.300 -0.247 0.000 1.088 59 I CB 4.122 41.793 38.000 -0.549 0.000 1.267 59 I HN 0.313 8.465 8.210 -0.096 0.000 0.430 60 L N 7.615 128.772 121.223 -0.110 0.000 2.409 60 L HA 0.600 5.036 4.340 -0.080 -0.144 0.272 60 L C -2.775 174.076 176.870 -0.032 0.000 0.980 60 L CA -1.224 53.571 54.840 -0.074 0.000 0.826 60 L CB 4.332 46.348 42.059 -0.072 0.000 1.268 60 L HN 0.300 8.473 8.230 -0.095 0.000 0.407 61 N N 5.416 124.096 118.700 -0.032 0.000 2.406 61 N HA 0.197 5.117 4.740 0.044 -0.153 0.251 61 N C -0.450 175.033 175.510 -0.045 0.000 1.069 61 N CA -0.864 52.184 53.050 -0.003 0.000 0.947 61 N CB 0.893 39.379 38.487 -0.001 0.000 1.111 61 N HN 0.166 8.517 8.380 -0.050 0.000 0.497 62 N N 7.512 126.147 118.700 -0.108 0.000 2.270 62 N HA 0.085 4.768 4.740 -0.095 0.000 0.198 62 N C 0.904 176.334 175.510 -0.134 0.000 1.117 62 N CA -0.925 52.030 53.050 -0.159 0.000 0.845 62 N CB -0.389 37.941 38.487 -0.261 0.000 0.980 62 N HN -0.066 8.233 8.380 -0.135 0.000 0.486 63 G N -0.634 108.141 108.800 -0.042 0.000 2.217 63 G HA2 -0.351 3.816 3.960 0.133 0.000 0.246 63 G HA3 -0.351 3.641 3.960 0.053 0.000 0.246 63 G C -0.410 174.646 174.900 0.260 0.000 0.990 63 G CA 0.971 46.124 45.100 0.088 0.000 0.627 63 G HN 0.280 8.814 8.290 -0.022 -0.257 0.522 64 H N -3.316 115.871 119.070 0.195 0.000 3.457 64 H HA 0.435 5.313 4.556 0.537 0.000 0.255 64 H C -1.561 173.896 175.328 0.215 0.000 1.082 64 H CA -1.281 54.967 56.048 0.334 0.000 1.189 64 H CB 2.084 32.050 29.762 0.340 0.000 1.511 64 H HN -0.094 8.270 8.280 -0.279 -0.252 0.527 65 A N -2.741 120.038 122.820 -0.068 0.000 2.483 65 A HA 0.301 4.618 4.320 -0.005 0.000 0.306 65 A C -3.061 174.527 177.584 0.007 0.000 1.137 65 A CA -0.609 51.390 52.037 -0.063 0.000 0.626 65 A CB 2.061 20.955 19.000 -0.176 0.000 1.352 65 A HN -0.518 7.731 8.150 -0.230 -0.236 0.508 66 F N -4.590 115.395 119.950 0.059 0.000 2.469 66 F HA 1.081 5.758 4.527 -0.104 -0.213 0.332 66 F C -1.712 174.062 175.800 -0.044 0.000 1.103 66 F CA -2.860 55.106 58.000 -0.056 0.000 0.979 66 F CB 2.381 41.306 39.000 -0.124 0.000 1.137 66 F HN 0.136 8.254 8.300 -0.305 0.000 0.463 67 N N 1.797 120.506 118.700 0.016 0.000 2.424 67 N HA 0.458 5.338 4.740 -0.074 -0.184 0.271 67 N C -0.661 174.754 175.510 -0.158 0.000 0.985 67 N CA -1.371 51.636 53.050 -0.072 0.000 0.921 67 N CB 2.206 40.647 38.487 -0.076 0.000 1.149 67 N HN 0.163 8.552 8.380 0.016 0.000 0.492 68 V N 5.654 125.329 119.914 -0.398 0.000 2.385 68 V HA 0.067 4.093 4.120 -0.406 -0.149 0.269 68 V C -0.992 174.873 176.094 -0.381 0.000 1.043 68 V CA 0.173 62.139 62.300 -0.557 0.000 0.906 68 V CB 0.055 31.214 31.823 -1.108 0.000 0.995 68 V HN 0.472 8.335 8.190 -0.544 0.000 0.467 69 E N 6.960 126.990 120.200 -0.284 0.000 2.214 69 E HA 0.511 5.004 4.350 0.007 -0.139 0.274 69 E C -0.895 175.529 176.600 -0.293 0.000 0.977 69 E CA -1.440 54.880 56.400 -0.133 0.000 0.827 69 E CB 2.782 32.425 29.700 -0.095 0.000 1.130 69 E HN 0.421 8.616 8.360 -0.275 0.000 0.394 70 F N 1.000 120.944 119.950 -0.011 0.000 2.538 70 F HA 0.453 5.135 4.527 0.033 -0.136 0.325 70 F C -0.062 175.763 175.800 0.042 0.000 1.066 70 F CA -1.112 56.901 58.000 0.022 0.000 0.946 70 F CB 3.378 42.386 39.000 0.012 0.000 1.199 70 F HN 0.241 8.718 8.300 0.296 0.000 0.473 71 D N 1.850 122.369 120.400 0.198 0.000 2.342 71 D HA -0.145 4.575 4.640 0.133 0.000 0.260 71 D C 0.015 176.433 176.300 0.198 0.000 1.278 71 D CA -0.105 53.989 54.000 0.157 0.000 0.910 71 D CB 0.443 41.309 40.800 0.110 0.000 1.079 71 D HN 0.055 8.532 8.370 0.178 0.000 0.496 72 D N 5.286 125.822 120.400 0.226 0.000 2.615 72 D HA 0.046 4.808 4.640 0.204 0.000 0.236 72 D C 0.138 176.619 176.300 0.300 0.000 1.233 72 D CA -1.248 52.919 54.000 0.279 0.000 0.829 72 D CB -0.927 40.153 40.800 0.468 0.000 1.024 72 D HN -0.070 8.433 8.370 0.221 0.000 0.490 73 S N 0.398 116.218 115.700 0.200 0.000 2.548 73 S HA -0.061 4.539 4.470 0.216 0.000 0.215 73 S C -0.140 174.541 174.600 0.135 0.000 0.976 73 S CA 0.557 58.861 58.200 0.174 0.000 0.908 73 S CB 0.662 63.934 63.200 0.120 0.000 0.781 73 S HN -0.266 8.377 8.310 0.166 -0.233 0.519 74 Q N -0.540 119.327 119.800 0.111 0.000 2.495 74 Q HA 0.099 4.480 4.340 0.068 0.000 0.287 74 Q C -1.802 174.223 176.000 0.041 0.000 1.078 74 Q CA -0.893 54.953 55.803 0.071 0.000 0.793 74 Q CB 3.650 32.424 28.738 0.059 0.000 1.459 74 Q HN -0.726 7.569 8.270 0.116 0.045 0.422 75 D N 0.395 120.805 120.400 0.016 0.000 2.489 75 D HA -0.107 4.507 4.640 -0.042 0.000 0.237 75 D C -0.534 175.771 176.300 0.007 0.000 1.212 75 D CA 0.641 54.634 54.000 -0.012 0.000 1.058 75 D CB -0.841 39.949 40.800 -0.016 0.000 1.098 75 D HN 0.316 8.698 8.370 0.020 0.000 0.509 76 K N 2.689 123.100 120.400 0.018 0.000 2.424 76 K HA 0.118 4.464 4.320 0.043 0.000 0.200 76 K C -1.613 175.024 176.600 0.061 0.000 1.279 76 K CA -0.266 56.048 56.287 0.045 0.000 0.918 76 K CB 2.445 34.985 32.500 0.067 0.000 1.287 76 K HN -0.327 7.928 8.250 0.008 0.000 0.502 77 A N -1.064 121.789 122.820 0.055 0.000 2.545 77 A HA 0.743 5.394 4.320 0.215 -0.202 0.300 77 A C -2.437 175.251 177.584 0.175 0.000 1.252 77 A CA -1.284 50.828 52.037 0.125 0.000 0.753 77 A CB 1.074 20.023 19.000 -0.085 0.000 1.144 77 A HN -0.183 7.984 8.150 0.028 0.000 0.457 78 V N -0.749 119.268 119.914 0.172 0.000 2.769 78 V HA 1.120 5.473 4.120 0.110 -0.166 0.312 78 V C -2.655 173.435 176.094 -0.006 0.000 1.061 78 V CA -3.536 58.812 62.300 0.079 0.000 0.931 78 V CB 3.690 35.506 31.823 -0.012 0.000 1.010 78 V HN -0.010 8.275 8.190 0.159 0.000 0.433 79 L N 4.385 125.549 121.223 -0.098 0.000 2.322 79 L HA 1.047 5.404 4.340 -0.297 -0.195 0.281 79 L C -2.164 174.598 176.870 -0.180 0.000 1.014 79 L CA -1.747 52.917 54.840 -0.294 0.000 0.815 79 L CB 3.040 44.667 42.059 -0.721 0.000 1.247 79 L HN 0.568 8.769 8.230 -0.049 0.000 0.421 80 K N 2.796 123.088 120.400 -0.179 0.000 2.507 80 K HA 0.494 4.770 4.320 -0.073 0.000 0.284 80 K C -1.010 175.510 176.600 -0.134 0.000 1.038 80 K CA -1.871 54.352 56.287 -0.107 0.000 0.903 80 K CB 3.277 35.744 32.500 -0.055 0.000 1.531 80 K HN 0.306 8.432 8.250 -0.207 0.000 0.430 81 G N -1.004 107.745 108.800 -0.086 0.000 2.598 81 G HA2 -0.502 3.431 3.960 -0.045 0.000 0.244 81 G HA3 -0.502 3.416 3.960 -0.070 0.000 0.244 81 G C 0.093 174.934 174.900 -0.100 0.000 1.302 81 G CA -0.386 44.671 45.100 -0.072 0.000 0.903 81 G HN 0.397 8.653 8.290 -0.056 0.000 0.575 82 G N -0.287 108.484 108.800 -0.047 0.000 2.611 82 G HA2 -0.376 3.933 3.960 0.169 0.000 0.301 82 G HA3 -0.376 3.487 3.960 -0.162 0.000 0.301 82 G C -1.442 173.468 174.900 0.018 0.000 1.233 82 G CA 0.723 45.824 45.100 0.002 0.000 0.993 82 G HN -0.423 7.860 8.290 -0.011 0.000 0.553 83 P HA 0.020 4.466 4.420 0.044 0.000 0.245 83 P C -1.115 176.163 177.300 -0.037 0.000 1.206 83 P CA 0.414 63.515 63.100 0.002 0.000 0.781 83 P CB 0.171 31.877 31.700 0.010 0.000 0.994 84 L N -0.415 120.758 121.223 -0.085 0.000 2.350 84 L HA -0.017 4.303 4.340 -0.033 0.000 0.275 84 L C -0.656 176.232 176.870 0.031 0.000 1.099 84 L CA -0.466 54.343 54.840 -0.051 0.000 0.808 84 L CB 0.353 42.319 42.059 -0.156 0.000 1.149 84 L HN -0.663 7.429 8.230 -0.114 0.069 0.442 85 D N 2.454 122.910 120.400 0.092 0.000 2.233 85 D HA 0.160 4.821 4.640 0.035 0.000 0.240 85 D C 0.069 176.417 176.300 0.081 0.000 1.074 85 D CA 0.105 54.143 54.000 0.063 0.000 0.838 85 D CB 0.972 41.797 40.800 0.041 0.000 1.124 85 D HN 0.200 8.647 8.370 0.128 0.000 0.475 86 G N 2.640 111.454 108.800 0.022 0.000 2.568 86 G HA2 -0.319 3.610 3.960 -0.053 0.000 0.222 86 G HA3 -0.319 3.587 3.960 -0.090 0.000 0.222 86 G C -2.066 172.839 174.900 0.009 0.000 1.321 86 G CA -0.388 44.693 45.100 -0.033 0.000 0.893 86 G HN 0.224 8.520 8.290 0.009 0.000 0.569 87 T N 1.185 115.685 114.554 -0.090 0.000 2.861 87 T HA 0.540 4.921 4.350 0.052 0.000 0.287 87 T C -1.866 172.737 174.700 -0.162 0.000 1.003 87 T CA -1.997 60.073 62.100 -0.050 0.000 0.977 87 T CB 1.610 70.422 68.868 -0.094 0.000 0.996 87 T HN 0.054 8.179 8.240 -0.193 0.000 0.448 88 Y N 5.213 125.402 120.300 -0.185 0.000 2.376 88 Y HA 0.573 5.177 4.550 -0.233 -0.194 0.340 88 Y C -1.757 174.013 175.900 -0.218 0.000 0.965 88 Y CA -1.685 56.295 58.100 -0.200 0.000 1.078 88 Y CB 3.353 41.733 38.460 -0.133 0.000 1.193 88 Y HN 0.557 8.936 8.280 0.166 0.000 0.452 89 R N 2.873 123.165 120.500 -0.346 0.000 2.346 89 R HA 0.434 4.811 4.340 -0.163 -0.134 0.311 89 R C -1.277 174.897 176.300 -0.210 0.000 0.983 89 R CA -1.825 54.048 56.100 -0.378 0.000 0.880 89 R CB 3.051 32.852 30.300 -0.832 0.000 1.100 89 R HN 0.526 8.409 8.270 -0.646 0.000 0.453 90 L N 5.398 126.586 121.223 -0.057 0.000 2.462 90 L HA -0.127 4.065 4.340 -0.502 -0.153 0.272 90 L C -2.041 174.773 176.870 -0.093 0.000 1.166 90 L CA 1.254 55.928 54.840 -0.277 0.000 0.880 90 L CB 0.244 42.002 42.059 -0.500 0.000 1.142 90 L HN 0.311 8.546 8.230 0.008 0.000 0.473 91 I N 3.646 124.226 120.570 0.017 0.000 3.445 91 I HA 0.162 4.484 4.170 0.253 0.000 0.288 91 I C -1.949 174.269 176.117 0.169 0.000 1.198 91 I CA -0.394 61.020 61.300 0.189 0.000 1.417 91 I CB 2.094 40.266 38.000 0.288 0.000 1.205 91 I HN 0.469 8.650 8.210 -0.048 0.000 0.448 92 Q N -4.981 114.880 119.800 0.102 0.000 2.633 92 Q HA 0.729 5.430 4.340 0.311 -0.174 0.289 92 Q C -2.019 174.071 176.000 0.149 0.000 0.940 92 Q CA -1.540 54.357 55.803 0.157 0.000 0.785 92 Q CB 2.960 31.731 28.738 0.054 0.000 1.467 92 Q HN -0.730 7.554 8.270 0.024 0.000 0.401 93 F N -4.625 115.409 119.950 0.139 0.000 2.593 93 F HA 1.137 5.778 4.527 -0.099 -0.173 0.320 93 F C -1.854 173.913 175.800 -0.054 0.000 1.060 93 F CA -2.444 55.532 58.000 -0.040 0.000 0.940 93 F CB 3.803 42.738 39.000 -0.108 0.000 1.268 93 F HN 0.163 8.373 8.300 -0.149 0.000 0.475 94 H N -4.726 114.379 119.070 0.059 0.000 2.948 94 H HA 0.560 5.047 4.556 -0.273 -0.094 0.315 94 H C -2.674 172.433 175.328 -0.368 0.000 1.360 94 H CA -1.362 54.565 56.048 -0.202 0.000 1.125 94 H CB 3.110 32.766 29.762 -0.177 0.000 1.844 94 H HN 0.193 8.236 8.280 -0.394 0.000 0.529 95 F N -3.909 115.944 119.950 -0.163 0.000 2.611 95 F HA 0.842 5.556 4.527 -0.009 -0.192 0.324 95 F C -0.516 175.261 175.800 -0.038 0.000 1.061 95 F CA -1.796 56.201 58.000 -0.005 0.000 0.954 95 F CB 4.129 43.200 39.000 0.119 0.000 1.301 95 F HN 0.255 8.553 8.300 -0.004 0.000 0.482 96 H N -2.440 116.932 119.070 0.503 0.000 2.538 96 H HA 0.419 5.173 4.556 0.081 -0.149 0.353 96 H C -1.621 174.027 175.328 0.534 0.000 1.109 96 H CA -1.014 55.229 56.048 0.326 0.000 1.192 96 H CB 2.610 32.526 29.762 0.257 0.000 1.555 96 H HN 0.202 8.818 8.280 0.560 0.000 0.518 97 W N -0.878 120.660 121.300 0.396 0.000 2.988 97 W HA 0.560 5.522 4.660 0.290 -0.129 0.355 97 W C -2.807 173.925 176.519 0.355 0.000 1.233 97 W CA -1.498 56.049 57.345 0.337 0.000 1.176 97 W CB 1.818 31.501 29.460 0.372 0.000 1.477 97 W HN 0.800 9.228 8.180 -0.130 -0.326 0.582 98 G N -3.255 105.839 108.800 0.491 0.000 2.552 98 G HA2 0.441 4.851 3.960 0.473 0.000 0.318 98 G HA3 0.441 4.772 3.960 0.307 -0.187 0.318 98 G C -0.434 174.701 174.900 0.390 0.000 1.240 98 G CA -1.962 43.376 45.100 0.397 0.000 1.002 98 G HN -0.381 8.221 8.290 0.519 0.000 0.493 99 S N -1.399 114.484 115.700 0.306 0.000 2.527 99 S HA -0.060 4.561 4.470 0.252 0.000 0.222 99 S C 0.020 174.730 174.600 0.183 0.000 0.985 99 S CA 1.685 60.027 58.200 0.236 0.000 0.921 99 S CB 0.554 63.872 63.200 0.196 0.000 0.772 99 S HN -0.111 8.711 8.310 0.319 -0.320 0.529 100 L N -1.768 119.558 121.223 0.172 0.000 2.415 100 L HA 0.282 4.682 4.340 0.099 0.000 0.256 100 L C -0.571 176.357 176.870 0.097 0.000 1.010 100 L CA -1.238 53.671 54.840 0.114 0.000 0.826 100 L CB 3.645 45.761 42.059 0.094 0.000 1.405 100 L HN -0.811 7.490 8.230 0.196 0.047 0.410 101 D N 0.890 121.326 120.400 0.061 0.000 2.264 101 D HA -0.156 4.520 4.640 0.060 0.000 0.208 101 D C 1.815 178.125 176.300 0.017 0.000 0.966 101 D CA 3.052 57.078 54.000 0.043 0.000 0.864 101 D CB -0.057 40.756 40.800 0.022 0.000 0.933 101 D HN 0.406 8.806 8.370 0.050 0.000 0.499 102 G N -3.906 104.896 108.800 0.005 0.000 2.776 102 G HA2 -0.157 3.768 3.960 -0.059 0.000 0.209 102 G HA3 -0.157 3.788 3.960 -0.026 0.000 0.209 102 G C -1.211 173.643 174.900 -0.076 0.000 1.145 102 G CA 0.192 45.271 45.100 -0.036 0.000 0.791 102 G HN 0.027 8.299 8.290 0.020 0.030 0.530 103 Q N -3.847 115.912 119.800 -0.068 0.000 2.590 103 Q HA 0.185 4.328 4.340 -0.327 0.000 0.295 103 Q C -1.587 174.275 176.000 -0.229 0.000 0.973 103 Q CA -0.824 54.840 55.803 -0.232 0.000 0.768 103 Q CB 2.666 31.304 28.738 -0.166 0.000 1.479 103 Q HN -0.792 7.412 8.270 -0.011 0.059 0.419 104 G N -1.690 106.721 108.800 -0.648 0.000 3.382 104 G HA2 -0.164 3.537 3.960 -0.382 0.000 0.214 104 G HA3 -0.164 4.045 3.960 0.010 -0.243 0.214 104 G C -0.878 173.870 174.900 -0.253 0.000 1.025 104 G CA 0.027 44.907 45.100 -0.367 0.000 0.869 104 G HN 0.384 8.003 8.290 -1.118 0.000 0.458 105 S N 1.440 117.033 115.700 -0.179 0.000 2.603 105 S HA -0.047 4.566 4.470 0.238 0.000 0.268 105 S C -0.053 174.547 174.600 0.000 0.000 1.317 105 S CA 0.235 58.498 58.200 0.105 0.000 1.012 105 S CB 1.821 65.238 63.200 0.362 0.000 0.926 105 S HN -0.528 7.655 8.310 -0.211 0.000 0.539 106 E N 0.891 121.190 120.200 0.164 0.000 2.065 106 E HA 0.147 4.716 4.350 0.159 -0.123 0.191 106 E C 0.426 177.013 176.600 -0.021 0.000 0.960 106 E CA 1.262 57.711 56.400 0.082 0.000 0.824 106 E CB 1.288 30.978 29.700 -0.016 0.000 0.793 106 E HN -0.270 8.478 8.360 0.244 -0.242 0.459 107 H N -1.037 118.137 119.070 0.174 0.000 2.771 107 H HA -0.041 4.706 4.556 0.060 -0.155 0.364 107 H C -0.172 175.303 175.328 0.246 0.000 1.133 107 H CA 1.901 58.063 56.048 0.190 0.000 1.423 107 H CB 0.834 30.749 29.762 0.254 0.000 1.425 107 H HN -0.557 8.096 8.280 0.250 -0.224 0.606 108 T N -4.666 109.998 114.554 0.184 0.000 2.916 108 T HA 0.601 5.053 4.350 -0.005 -0.105 0.292 108 T C -1.366 173.305 174.700 -0.049 0.000 1.064 108 T CA -2.274 59.837 62.100 0.017 0.000 1.011 108 T CB 3.443 72.275 68.868 -0.059 0.000 1.152 108 T HN -0.432 7.887 8.240 0.131 0.000 0.510 109 V N 1.538 121.367 119.914 -0.141 0.000 2.349 109 V HA 0.274 4.393 4.120 -0.252 -0.150 0.284 109 V C -0.450 175.554 176.094 -0.150 0.000 1.014 109 V CA -1.015 61.175 62.300 -0.185 0.000 0.826 109 V CB 1.882 33.630 31.823 -0.125 0.000 1.009 109 V HN -0.165 7.924 8.190 -0.168 0.000 0.431 110 D N 10.027 130.340 120.400 -0.145 0.000 2.701 110 D HA -0.409 4.191 4.640 -0.067 0.000 0.235 110 D C -0.508 175.745 176.300 -0.077 0.000 1.155 110 D CA 1.516 55.468 54.000 -0.080 0.000 0.649 110 D CB -1.929 38.852 40.800 -0.033 0.000 1.050 110 D HN 0.709 8.970 8.370 -0.181 0.000 0.425 111 K N -11.259 109.086 120.400 -0.093 0.000 3.547 111 K HA -0.613 3.720 4.320 -0.083 -0.064 0.309 111 K C -1.297 175.228 176.600 -0.124 0.000 1.324 111 K CA 1.606 57.840 56.287 -0.089 0.000 0.988 111 K CB -2.385 30.077 32.500 -0.063 0.000 1.261 111 K HN 0.313 8.832 8.250 -0.100 -0.330 0.444 112 K N 1.359 121.659 120.400 -0.166 0.000 2.379 112 K HA -0.102 4.080 4.320 -0.230 0.000 0.284 112 K C -0.821 175.598 176.600 -0.301 0.000 1.044 112 K CA 0.139 56.272 56.287 -0.257 0.000 0.974 112 K CB 0.844 33.139 32.500 -0.343 0.000 0.962 112 K HN -0.472 7.499 8.250 -0.158 0.185 0.474 113 K N 6.224 126.445 120.400 -0.298 0.000 2.183 113 K HA 0.265 4.455 4.320 -0.218 0.000 0.274 113 K C -0.430 175.972 176.600 -0.330 0.000 1.009 113 K CA -0.823 55.297 56.287 -0.278 0.000 0.888 113 K CB 1.075 33.398 32.500 -0.294 0.000 1.078 113 K HN 0.220 8.308 8.250 -0.269 0.000 0.459 114 Y N 1.337 121.526 120.300 -0.185 0.000 2.334 114 Y HA -0.087 4.408 4.550 -0.090 0.000 0.325 114 Y C 1.078 176.963 175.900 -0.024 0.000 1.308 114 Y CA 0.362 58.411 58.100 -0.084 0.000 1.389 114 Y CB 1.291 39.744 38.460 -0.011 0.000 1.328 114 Y HN -0.276 8.060 8.280 0.093 0.000 0.532 115 A N -0.888 122.057 122.820 0.208 0.000 2.015 115 A HA -0.102 4.525 4.320 0.099 -0.248 0.219 115 A C -0.887 176.844 177.584 0.245 0.000 1.163 115 A CA 1.979 54.111 52.037 0.159 0.000 0.646 115 A CB 0.494 19.570 19.000 0.126 0.000 0.806 115 A HN 0.274 8.576 8.150 0.254 0.000 0.448 116 A N -6.060 116.956 122.820 0.327 0.000 2.564 116 A HA 0.499 5.207 4.320 0.444 -0.122 0.291 116 A C -2.763 175.090 177.584 0.448 0.000 1.102 116 A CA -0.398 51.899 52.037 0.434 0.000 0.660 116 A CB 3.261 22.564 19.000 0.505 0.000 1.283 116 A HN -0.750 7.592 8.150 0.353 0.020 0.430 117 E N -0.980 119.500 120.200 0.466 0.000 2.291 117 E HA 0.681 5.372 4.350 0.283 -0.170 0.276 117 E C -2.302 174.411 176.600 0.188 0.000 0.896 117 E CA -1.264 55.321 56.400 0.309 0.000 0.774 117 E CB 4.730 34.589 29.700 0.265 0.000 1.227 117 E HN 0.088 8.772 8.360 0.539 0.000 0.413 118 L N 6.891 128.152 121.223 0.062 0.000 2.292 118 L HA 0.521 4.675 4.340 -0.569 -0.155 0.284 118 L C -1.990 174.811 176.870 -0.115 0.000 1.065 118 L CA -1.110 53.564 54.840 -0.277 0.000 0.806 118 L CB 2.263 44.148 42.059 -0.290 0.000 1.175 118 L HN 0.596 8.884 8.230 0.098 0.000 0.431 119 H N 6.943 125.847 119.070 -0.277 0.000 2.638 119 H HA 0.387 5.109 4.556 -0.001 -0.166 0.317 119 H C -0.956 174.242 175.328 -0.217 0.000 1.006 119 H CA -2.319 53.623 56.048 -0.176 0.000 1.222 119 H CB 2.164 31.821 29.762 -0.175 0.000 1.419 119 H HN 0.781 8.775 8.280 -0.476 0.000 0.489 120 L N 5.374 126.627 121.223 0.050 0.000 2.255 120 L HA 0.159 4.513 4.340 0.023 0.000 0.289 120 L C -1.348 175.487 176.870 -0.058 0.000 1.046 120 L CA -0.129 54.718 54.840 0.012 0.000 0.816 120 L CB 0.568 42.681 42.059 0.090 0.000 1.197 120 L HN 0.489 8.774 8.230 0.091 0.000 0.427 121 V N 4.939 124.778 119.914 -0.125 0.000 2.407 121 V HA 0.110 4.259 4.120 0.047 0.000 0.278 121 V C -1.330 174.672 176.094 -0.154 0.000 1.037 121 V CA -0.374 61.916 62.300 -0.016 0.000 0.900 121 V CB 0.793 32.712 31.823 0.159 0.000 0.983 121 V HN 0.582 8.719 8.190 -0.087 0.000 0.459 122 H N 6.253 125.408 119.070 0.142 0.000 2.690 122 H HA 0.825 5.675 4.556 0.130 -0.216 0.368 122 H C -0.524 175.016 175.328 0.354 0.000 1.150 122 H CA -1.836 54.309 56.048 0.161 0.000 1.174 122 H CB 3.433 33.237 29.762 0.070 0.000 1.684 122 H HN 0.224 8.689 8.280 0.309 0.000 0.538 123 W N -0.779 120.755 121.300 0.389 0.000 2.689 123 W HA 0.603 5.604 4.660 0.322 -0.148 0.340 123 W C -1.746 174.816 176.519 0.072 0.000 1.060 123 W CA -2.909 54.610 57.345 0.290 0.000 1.218 123 W CB 2.368 31.990 29.460 0.270 0.000 1.410 123 W HN 0.472 8.629 8.180 -0.038 0.000 0.528 124 N N 4.276 123.012 118.700 0.060 0.000 2.431 124 N HA 0.179 4.343 4.740 -1.202 -0.145 0.265 124 N C 0.774 176.210 175.510 -0.123 0.000 1.184 124 N CA -0.288 52.417 53.050 -0.574 0.000 0.943 124 N CB 1.155 39.307 38.487 -0.559 0.000 1.080 124 N HN 0.177 8.714 8.380 0.262 0.000 0.477 128 Y N 1.150 121.494 120.300 0.073 0.000 2.458 128 Y HA 0.086 4.648 4.550 0.020 0.000 0.256 128 Y C 0.341 176.275 175.900 0.056 0.000 1.159 128 Y CA -1.029 57.100 58.100 0.049 0.000 1.261 128 Y CB 0.384 38.854 38.460 0.016 0.000 1.119 128 Y HN -0.330 7.866 8.280 -0.068 0.043 0.524 129 G N 0.282 109.244 108.800 0.271 0.000 2.458 129 G HA2 -0.466 3.647 3.960 0.254 0.000 0.237 129 G HA3 -0.466 3.558 3.960 0.107 0.000 0.237 129 G C -1.054 173.808 174.900 -0.063 0.000 1.113 129 G CA 0.693 45.905 45.100 0.187 0.000 0.655 129 G HN -0.202 8.177 8.290 0.335 0.112 0.513 130 D N -2.956 117.205 120.400 -0.397 0.000 2.665 130 D HA 0.176 3.586 4.640 -2.051 0.000 0.287 130 D C -0.883 174.871 176.300 -0.910 0.000 1.266 130 D CA -2.456 50.923 54.000 -1.035 0.000 0.830 130 D CB 1.805 42.308 40.800 -0.494 0.000 1.356 130 D HN -0.675 7.501 8.370 -0.210 0.068 0.437 131 F N 0.055 119.300 119.950 -1.175 0.000 2.134 131 F HA -0.297 3.891 4.527 -0.565 0.000 0.299 131 F C 1.244 176.873 175.800 -0.285 0.000 1.097 131 F CA 3.602 61.210 58.000 -0.653 0.000 1.264 131 F CB 0.564 39.275 39.000 -0.481 0.000 1.001 131 F HN 0.501 8.226 8.300 -0.957 0.000 0.479 132 G N -2.869 105.839 108.800 -0.153 0.000 2.422 132 G HA2 -0.330 3.550 3.960 -0.135 0.000 0.218 132 G HA3 -0.330 3.591 3.960 -0.065 0.000 0.218 132 G C 0.866 175.637 174.900 -0.215 0.000 1.146 132 G CA 1.780 46.794 45.100 -0.143 0.000 0.769 132 G HN 0.116 8.351 8.290 -0.092 0.000 0.547 133 K N -0.220 120.059 120.400 -0.201 0.000 2.116 133 K HA -0.052 4.168 4.320 -0.167 0.000 0.203 133 K C 2.374 178.818 176.600 -0.259 0.000 1.052 133 K CA 1.450 57.630 56.287 -0.178 0.000 0.952 133 K CB -0.156 32.289 32.500 -0.092 0.000 0.729 133 K HN -0.586 7.818 8.250 -0.199 -0.273 0.446 134 A N 0.126 122.805 122.820 -0.234 0.000 1.902 134 A HA -0.256 3.922 4.320 -0.236 0.000 0.217 134 A C 1.989 179.384 177.584 -0.315 0.000 1.181 134 A CA 3.064 54.985 52.037 -0.193 0.000 0.623 134 A CB -0.562 18.468 19.000 0.050 0.000 0.818 134 A HN -0.282 7.650 8.150 -0.233 0.079 0.443 135 V N -7.718 111.939 119.914 -0.428 0.000 3.078 135 V HA -0.288 3.645 4.120 -0.312 0.000 0.265 135 V C 0.830 176.774 176.094 -0.249 0.000 1.122 135 V CA 1.809 63.887 62.300 -0.370 0.000 1.141 135 V CB -0.430 31.116 31.823 -0.462 0.000 0.735 135 V HN -0.710 7.163 8.190 -0.529 0.000 0.498 136 Q N -2.188 117.455 119.800 -0.262 0.000 2.403 136 Q HA -0.025 4.218 4.340 -0.161 0.000 0.203 136 Q C 0.144 176.001 176.000 -0.238 0.000 0.932 136 Q CA 0.387 56.064 55.803 -0.210 0.000 0.945 136 Q CB 0.257 28.882 28.738 -0.188 0.000 1.045 136 Q HN -0.633 7.408 8.270 -0.297 0.051 0.511 137 Q N -1.504 118.111 119.800 -0.308 0.000 2.377 137 Q HA 0.454 4.638 4.340 -0.259 0.000 0.271 137 Q C -1.606 174.309 176.000 -0.141 0.000 1.077 137 Q CA -3.571 52.039 55.803 -0.321 0.000 0.820 137 Q CB -0.322 27.964 28.738 -0.753 0.000 1.347 137 Q HN -0.517 7.495 8.270 -0.312 0.070 0.444 138 P HA -0.008 4.587 4.420 -0.005 -0.179 0.223 138 P C -1.410 175.919 177.300 0.049 0.000 1.151 138 P CA 1.352 64.454 63.100 0.003 0.000 0.787 138 P CB 0.595 32.309 31.700 0.023 0.000 0.788 139 D N -7.296 113.168 120.400 0.107 0.000 2.772 139 D HA 0.106 4.842 4.640 0.160 0.000 0.272 139 D C 0.479 176.971 176.300 0.320 0.000 1.314 139 D CA -2.243 51.878 54.000 0.202 0.000 0.835 139 D CB -1.408 39.526 40.800 0.224 0.000 1.080 139 D HN -0.246 8.168 8.370 0.109 0.022 0.482 140 G N -0.371 108.545 108.800 0.192 0.000 2.408 140 G HA2 -0.054 4.132 3.960 0.378 0.000 0.215 140 G HA3 -0.054 4.114 3.960 0.032 -0.189 0.215 140 G C -1.370 173.720 174.900 0.316 0.000 1.156 140 G CA 1.317 46.544 45.100 0.212 0.000 0.793 140 G HN -0.373 7.909 8.290 0.082 0.057 0.535 141 L N -2.234 119.144 121.223 0.259 0.000 2.341 141 L HA 0.841 5.602 4.340 0.437 -0.159 0.267 141 L C -2.554 174.364 176.870 0.079 0.000 1.009 141 L CA -1.683 53.315 54.840 0.264 0.000 0.819 141 L CB 4.264 46.373 42.059 0.083 0.000 1.323 141 L HN -0.249 8.076 8.230 0.158 0.000 0.425 142 A N 0.695 123.484 122.820 -0.051 0.000 2.335 142 A HA 0.863 5.095 4.320 -0.483 -0.202 0.304 142 A C -1.839 175.593 177.584 -0.254 0.000 1.118 142 A CA -1.696 50.084 52.037 -0.428 0.000 0.757 142 A CB 2.813 21.265 19.000 -0.912 0.000 1.188 142 A HN 0.584 8.836 8.150 0.171 0.000 0.460 143 V N 4.938 124.553 119.914 -0.497 0.000 2.384 143 V HA 0.557 4.772 4.120 -0.156 -0.189 0.287 143 V C -1.639 174.270 176.094 -0.309 0.000 1.020 143 V CA -1.563 60.452 62.300 -0.475 0.000 0.850 143 V CB 2.507 33.676 31.823 -1.090 0.000 0.987 143 V HN -0.041 7.738 8.190 -0.686 0.000 0.436 144 L N 9.017 130.210 121.223 -0.051 0.000 2.278 144 L HA 0.679 5.194 4.340 -0.049 -0.205 0.287 144 L C -1.342 175.592 176.870 0.107 0.000 1.072 144 L CA -1.618 53.224 54.840 0.004 0.000 0.819 144 L CB 1.551 43.633 42.059 0.039 0.000 1.176 144 L HN 0.100 8.377 8.230 0.079 0.000 0.435 145 G N 6.871 115.764 108.800 0.155 0.000 2.372 145 G HA2 0.736 5.146 3.960 0.369 0.000 0.323 145 G HA3 0.736 4.861 3.960 0.275 0.000 0.323 145 G C -2.532 172.331 174.900 -0.061 0.000 1.152 145 G CA -1.351 43.877 45.100 0.213 0.000 0.906 145 G HN 0.775 9.141 8.290 0.126 0.000 0.460 146 I N 3.379 123.890 120.570 -0.098 0.000 2.499 146 I HA 0.287 4.328 4.170 -0.216 0.000 0.288 146 I C -1.634 174.384 176.117 -0.164 0.000 1.048 146 I CA -1.020 60.187 61.300 -0.155 0.000 1.062 146 I CB 3.743 41.724 38.000 -0.033 0.000 1.238 146 I HN 0.300 8.503 8.210 -0.012 0.000 0.426 147 F N 5.786 125.703 119.950 -0.055 0.000 2.389 147 F HA 0.165 4.765 4.527 -0.076 -0.118 0.337 147 F C -0.537 175.205 175.800 -0.097 0.000 1.112 147 F CA -0.055 57.819 58.000 -0.208 0.000 1.192 147 F CB 0.948 39.423 39.000 -0.875 0.000 1.185 147 F HN 0.638 8.814 8.300 -0.207 0.000 0.552 148 L N 1.246 122.616 121.223 0.244 0.000 2.333 148 L HA 0.763 5.419 4.340 0.180 -0.208 0.280 148 L C -0.986 176.047 176.870 0.271 0.000 1.004 148 L CA -1.158 53.818 54.840 0.226 0.000 0.820 148 L CB 2.380 44.586 42.059 0.245 0.000 1.247 148 L HN 0.253 8.676 8.230 0.322 0.000 0.416 149 K N 1.911 122.450 120.400 0.230 0.000 2.221 149 K HA 0.429 4.893 4.320 0.240 0.000 0.243 149 K C -2.045 174.618 176.600 0.104 0.000 0.968 149 K CA -2.322 54.096 56.287 0.218 0.000 0.846 149 K CB 2.812 35.462 32.500 0.250 0.000 1.141 149 K HN 0.276 8.637 8.250 0.185 0.000 0.434 150 V N 2.430 122.384 119.914 0.066 0.000 2.406 150 V HA 0.606 4.955 4.120 0.002 -0.227 0.272 150 V C 0.126 176.230 176.094 0.017 0.000 1.043 150 V CA 0.267 62.578 62.300 0.019 0.000 0.915 150 V CB 0.496 32.320 31.823 0.001 0.000 0.988 150 V HN 0.293 8.524 8.190 0.069 0.000 0.466 151 G N 7.732 116.537 108.800 0.008 0.000 3.074 151 G HA2 0.226 4.189 3.960 0.004 0.000 0.127 151 G HA3 0.226 4.196 3.960 0.017 0.000 0.127 151 G C -1.814 173.086 174.900 -0.000 0.000 1.216 151 G CA 0.999 46.104 45.100 0.008 0.000 1.390 151 G HN 0.813 9.102 8.290 -0.000 0.000 0.676 152 S N 1.857 117.561 115.700 0.006 0.000 2.579 152 S HA 0.046 4.515 4.470 -0.001 0.000 0.275 152 S C 0.070 174.670 174.600 -0.000 0.000 1.345 152 S CA -0.843 57.359 58.200 0.003 0.000 1.031 152 S CB 1.029 64.235 63.200 0.009 0.000 0.892 152 S HN -0.383 7.934 8.310 0.013 0.000 0.529 153 A N 0.831 123.648 122.820 -0.005 0.000 2.425 153 A HA -0.208 4.310 4.320 -0.022 -0.211 0.242 153 A C 0.068 177.658 177.584 0.011 0.000 1.077 153 A CA 0.387 52.419 52.037 -0.008 0.000 0.781 153 A CB 0.488 19.483 19.000 -0.009 0.000 1.020 153 A HN 0.043 8.190 8.150 -0.005 0.000 0.494 154 K N 3.730 124.142 120.400 0.019 0.000 2.268 154 K HA 0.390 4.738 4.320 0.047 0.000 0.276 154 K C -0.135 176.504 176.600 0.065 0.000 1.080 154 K CA -3.347 52.970 56.287 0.049 0.000 0.910 154 K CB 0.109 32.653 32.500 0.073 0.000 1.163 154 K HN -0.203 8.309 8.250 0.006 -0.258 0.465 155 P HA -0.166 4.289 4.420 0.058 0.000 0.216 155 P C 1.027 178.390 177.300 0.106 0.000 1.150 155 P CA 2.115 65.254 63.100 0.065 0.000 0.837 155 P CB 0.243 31.971 31.700 0.045 0.000 0.786 156 G N -3.332 105.539 108.800 0.120 0.000 2.598 156 G HA2 -0.112 3.935 3.960 0.146 0.000 0.215 156 G HA3 -0.112 4.066 3.960 0.132 -0.140 0.215 156 G C 0.325 175.432 174.900 0.345 0.000 1.131 156 G CA 0.773 45.975 45.100 0.170 0.000 0.785 156 G HN 0.253 8.591 8.290 0.100 0.012 0.539 157 L N -0.712 120.681 121.223 0.284 0.000 2.446 157 L HA 0.213 4.827 4.340 0.457 0.000 0.219 157 L C 0.856 177.877 176.870 0.252 0.000 1.116 157 L CA 0.567 55.600 54.840 0.322 0.000 0.844 157 L CB 0.302 42.485 42.059 0.208 0.000 0.970 157 L HN -0.567 7.629 8.230 0.202 0.155 0.457 158 Q N -0.251 119.666 119.800 0.195 0.000 2.124 158 Q HA -0.362 4.027 4.340 0.083 0.000 0.202 158 Q C 1.836 177.932 176.000 0.161 0.000 0.977 158 Q CA 3.300 59.180 55.803 0.129 0.000 0.850 158 Q CB -0.713 28.081 28.738 0.092 0.000 0.901 158 Q HN -0.523 7.860 8.270 0.188 0.000 0.429 159 K N -2.332 118.229 120.400 0.269 0.000 2.147 159 K HA -0.300 4.155 4.320 0.226 0.000 0.205 159 K C 2.185 178.968 176.600 0.305 0.000 1.049 159 K CA 2.964 59.437 56.287 0.309 0.000 0.936 159 K CB -0.522 32.231 32.500 0.421 0.000 0.722 159 K HN 0.123 8.573 8.250 0.334 0.000 0.446 160 V N -0.213 119.824 119.914 0.205 0.000 2.307 160 V HA -0.414 3.514 4.120 -0.321 0.000 0.245 160 V C 2.226 178.210 176.094 -0.183 0.000 1.045 160 V CA 3.585 65.825 62.300 -0.099 0.000 1.024 160 V CB 0.010 31.825 31.823 -0.013 0.000 0.651 160 V HN -0.666 7.668 8.190 0.256 0.010 0.449 161 V N 0.705 120.594 119.914 -0.041 0.000 2.324 161 V HA -0.553 3.512 4.120 -0.092 0.000 0.250 161 V C 2.186 178.218 176.094 -0.103 0.000 1.060 161 V CA 4.386 66.644 62.300 -0.069 0.000 1.042 161 V CB -0.319 31.486 31.823 -0.029 0.000 0.650 161 V HN -0.643 7.572 8.190 0.041 0.000 0.450 162 D N -2.129 118.244 120.400 -0.044 0.000 2.269 162 D HA -0.110 4.503 4.640 -0.045 0.000 0.208 162 D C 1.447 177.710 176.300 -0.062 0.000 0.963 162 D CA 2.701 56.681 54.000 -0.034 0.000 0.864 162 D CB -0.184 40.627 40.800 0.017 0.000 0.936 162 D HN -0.333 8.025 8.370 -0.000 0.012 0.505 163 V N -0.901 118.948 119.914 -0.108 0.000 3.406 163 V HA -0.098 3.973 4.120 -0.081 0.000 0.263 163 V C 0.667 176.614 176.094 -0.244 0.000 1.172 163 V CA 0.233 62.444 62.300 -0.148 0.000 1.140 163 V CB 0.037 31.757 31.823 -0.171 0.000 0.784 163 V HN -0.820 7.270 8.190 -0.126 0.025 0.467 164 L N -0.680 120.359 121.223 -0.306 0.000 2.191 164 L HA -0.334 3.746 4.340 -0.434 0.000 0.212 164 L C 1.864 178.609 176.870 -0.208 0.000 1.103 164 L CA 2.610 57.241 54.840 -0.348 0.000 0.769 164 L CB -0.850 40.968 42.059 -0.401 0.000 0.908 164 L HN -0.828 7.188 8.230 -0.292 0.040 0.438 165 D N -3.332 116.981 120.400 -0.145 0.000 2.263 165 D HA -0.211 4.376 4.640 -0.088 0.000 0.208 165 D C 1.029 177.278 176.300 -0.086 0.000 0.971 165 D CA 2.565 56.508 54.000 -0.095 0.000 0.867 165 D CB -0.365 40.394 40.800 -0.068 0.000 0.929 165 D HN 0.371 8.637 8.370 -0.138 0.021 0.492 166 S N -3.490 112.149 115.700 -0.101 0.000 2.575 166 S HA -0.007 4.425 4.470 -0.064 0.000 0.215 166 S C 0.561 175.105 174.600 -0.093 0.000 0.966 166 S CA 0.439 58.590 58.200 -0.082 0.000 0.911 166 S CB 0.771 63.928 63.200 -0.072 0.000 0.780 166 S HN -0.369 7.828 8.310 -0.123 0.039 0.514 167 I N -5.368 115.128 120.570 -0.123 0.000 2.979 167 I HA 0.377 4.496 4.170 -0.085 0.000 0.337 167 I C -0.740 175.324 176.117 -0.089 0.000 1.453 167 I CA -1.723 59.510 61.300 -0.111 0.000 0.891 167 I CB 0.016 37.926 38.000 -0.150 0.000 1.887 167 I HN -0.722 7.245 8.210 -0.147 0.154 0.546 168 K N 1.722 122.081 120.400 -0.068 0.000 2.097 168 K HA -0.248 4.037 4.320 -0.058 0.000 0.206 168 K C -0.790 175.798 176.600 -0.021 0.000 1.049 168 K CA 2.722 58.980 56.287 -0.047 0.000 0.933 168 K CB 0.548 33.027 32.500 -0.035 0.000 0.717 168 K HN 0.293 8.504 8.250 -0.064 0.000 0.442 169 T N -8.786 105.757 114.554 -0.017 0.000 2.932 169 T HA 0.355 4.778 4.350 0.015 -0.064 0.289 169 T C -1.106 173.594 174.700 0.000 0.000 1.039 169 T CA -2.886 59.215 62.100 0.002 0.000 1.024 169 T CB 3.043 71.913 68.868 0.003 0.000 1.090 169 T HN -0.762 7.441 8.240 -0.026 0.022 0.496 170 K N 3.503 123.913 120.400 0.017 0.000 2.491 170 K HA -0.639 3.853 4.320 0.006 -0.169 0.279 170 K C 1.411 178.002 176.600 -0.015 0.000 1.026 170 K CA 1.692 57.983 56.287 0.007 0.000 1.070 170 K CB -0.004 32.506 32.500 0.017 0.000 0.887 170 K HN -0.032 8.135 8.250 0.032 0.102 0.481 171 G N 7.362 116.146 108.800 -0.027 0.000 2.213 171 G HA2 -0.398 3.541 3.960 -0.035 0.000 0.236 171 G HA3 -0.398 3.545 3.960 -0.030 0.000 0.236 171 G C -0.435 174.445 174.900 -0.034 0.000 0.991 171 G CA 0.088 45.169 45.100 -0.032 0.000 0.629 171 G HN 0.774 9.046 8.290 -0.030 0.000 0.517 172 K N 2.779 123.158 120.400 -0.035 0.000 2.249 172 K HA 0.220 4.517 4.320 -0.038 0.000 0.280 172 K C -1.244 175.324 176.600 -0.054 0.000 1.033 172 K CA -0.574 55.688 56.287 -0.042 0.000 0.946 172 K CB 0.682 33.156 32.500 -0.044 0.000 1.005 172 K HN -0.444 7.724 8.250 -0.031 0.063 0.469 173 S N 0.577 116.244 115.700 -0.054 0.000 2.632 173 S HA 0.901 5.482 4.470 -0.081 -0.160 0.289 173 S C -1.234 173.330 174.600 -0.061 0.000 1.115 173 S CA -1.954 56.208 58.200 -0.065 0.000 0.889 173 S CB 3.434 66.602 63.200 -0.054 0.000 1.116 173 S HN 0.087 8.368 8.310 -0.047 0.000 0.486 174 A N -0.268 122.512 122.820 -0.067 0.000 2.549 174 A HA 0.255 4.558 4.320 -0.029 0.000 0.297 174 A C -2.394 175.189 177.584 -0.000 0.000 1.061 174 A CA -0.682 51.332 52.037 -0.039 0.000 0.690 174 A CB 3.072 22.040 19.000 -0.054 0.000 1.287 174 A HN 0.454 8.555 8.150 -0.082 0.000 0.402 175 D N 1.727 122.140 120.400 0.023 0.000 2.472 175 D HA -0.105 4.554 4.640 0.032 0.000 0.237 175 D C -0.921 175.467 176.300 0.145 0.000 1.141 175 D CA 1.506 55.534 54.000 0.047 0.000 0.875 175 D CB 0.211 41.025 40.800 0.022 0.000 1.192 175 D HN 0.092 8.470 8.370 0.012 0.000 0.450 176 F N 4.329 124.225 119.950 -0.090 0.000 3.065 176 F HA 0.167 4.656 4.527 -0.064 0.000 0.383 176 F C -1.942 173.809 175.800 -0.082 0.000 1.259 176 F CA -0.581 57.363 58.000 -0.093 0.000 1.217 176 F CB 2.509 41.418 39.000 -0.152 0.000 2.042 176 F HN -0.013 8.247 8.300 0.101 0.100 0.641 177 T N -0.964 113.464 114.554 -0.211 0.000 2.934 177 T HA 0.276 4.744 4.350 -0.156 -0.212 0.283 177 T C 0.105 174.675 174.700 -0.217 0.000 1.005 177 T CA -1.513 60.481 62.100 -0.176 0.000 1.041 177 T CB 2.268 71.082 68.868 -0.090 0.000 1.042 177 T HN -0.485 7.650 8.240 -0.174 0.000 0.505 178 N N -3.239 115.390 118.700 -0.119 0.000 2.741 178 N HA -0.445 4.272 4.740 -0.038 0.000 0.251 178 N C -1.555 173.910 175.510 -0.075 0.000 1.112 178 N CA 1.820 54.824 53.050 -0.076 0.000 0.750 178 N CB -0.980 37.463 38.487 -0.073 0.000 1.119 178 N HN 0.446 8.772 8.380 -0.089 0.000 0.561 179 F N 1.905 121.716 119.950 -0.232 0.000 2.438 179 F HA -0.092 4.362 4.527 -0.122 0.000 0.356 179 F C -1.452 174.422 175.800 0.124 0.000 1.099 179 F CA 0.487 58.417 58.000 -0.116 0.000 1.185 179 F CB 0.758 39.660 39.000 -0.164 0.000 1.115 179 F HN -0.520 7.713 8.300 -0.044 0.040 0.526 180 D N 7.671 127.585 120.400 -0.810 0.000 2.412 180 D HA 0.338 4.891 4.640 -0.145 0.000 0.224 180 D C -0.816 175.157 176.300 -0.544 0.000 1.093 180 D CA -4.013 49.728 54.000 -0.431 0.000 0.850 180 D CB 1.510 42.145 40.800 -0.276 0.000 1.046 180 D HN 0.166 7.877 8.370 -1.098 0.000 0.507 181 P HA 0.039 4.561 4.420 0.170 0.000 0.234 181 P C 1.268 178.609 177.300 0.069 0.000 1.167 181 P CA 0.895 64.031 63.100 0.061 0.000 0.763 181 P CB 0.386 32.097 31.700 0.018 0.000 0.835 182 R N -0.393 120.156 120.500 0.081 0.000 2.193 182 R HA -0.213 4.218 4.340 0.152 0.000 0.229 182 R C 2.475 178.790 176.300 0.025 0.000 1.110 182 R CA 2.992 59.147 56.100 0.091 0.000 0.988 182 R CB -0.618 29.719 30.300 0.062 0.000 0.871 182 R HN -0.014 8.532 8.270 0.049 -0.247 0.458 183 G N -2.494 106.289 108.800 -0.028 0.000 2.776 183 G HA2 -0.095 3.868 3.960 0.005 0.000 0.209 183 G HA3 -0.095 3.850 3.960 -0.025 0.000 0.209 183 G C 0.000 174.942 174.900 0.070 0.000 1.145 183 G CA 0.776 45.876 45.100 0.001 0.000 0.791 183 G HN -0.461 7.742 8.290 -0.096 0.029 0.530 184 L N -1.523 119.748 121.223 0.079 0.000 2.693 184 L HA 0.171 4.590 4.340 0.131 0.000 0.235 184 L C -0.566 176.340 176.870 0.059 0.000 1.127 184 L CA -0.670 54.228 54.840 0.096 0.000 0.914 184 L CB 0.334 42.430 42.059 0.061 0.000 1.193 184 L HN -0.465 7.733 8.230 0.061 0.069 0.502 185 L N -0.400 120.849 121.223 0.043 0.000 2.307 185 L HA 0.467 4.819 4.340 0.019 0.000 0.282 185 L C -1.335 175.542 176.870 0.012 0.000 1.051 185 L CA -2.516 52.336 54.840 0.021 0.000 0.804 185 L CB 0.187 42.250 42.059 0.006 0.000 1.197 185 L HN -0.740 7.516 8.230 0.043 0.000 0.431 186 P HA 0.081 4.505 4.420 0.007 0.000 0.275 186 P C -0.717 176.571 177.300 -0.020 0.000 1.266 186 P CA -0.803 62.296 63.100 -0.002 0.000 0.793 186 P CB 0.624 32.321 31.700 -0.006 0.000 1.074 187 E N -1.142 119.044 120.200 -0.023 0.000 2.038 187 E HA -0.270 4.064 4.350 -0.028 0.000 0.195 187 E C 0.369 176.941 176.600 -0.047 0.000 1.000 187 E CA 2.269 58.650 56.400 -0.032 0.000 0.803 187 E CB 0.278 29.959 29.700 -0.031 0.000 0.750 187 E HN 0.302 8.798 8.360 -0.018 -0.147 0.448 188 S N -1.512 114.150 115.700 -0.063 0.000 2.562 188 S HA 0.018 4.442 4.470 -0.076 0.000 0.275 188 S C 0.065 174.618 174.600 -0.078 0.000 1.281 188 S CA -0.669 57.480 58.200 -0.085 0.000 1.045 188 S CB 0.677 63.796 63.200 -0.135 0.000 0.962 188 S HN -0.494 8.074 8.310 -0.063 -0.296 0.503 189 L N 4.084 125.271 121.223 -0.059 0.000 2.791 189 L HA 0.219 4.546 4.340 -0.022 0.000 0.239 189 L C -0.376 176.520 176.870 0.044 0.000 1.203 189 L CA -1.303 53.529 54.840 -0.013 0.000 1.002 189 L CB -0.378 41.677 42.059 -0.008 0.000 1.295 189 L HN 0.297 8.494 8.230 -0.056 0.000 0.504 190 D N 1.256 121.593 120.400 -0.104 0.000 2.488 190 D HA -0.023 4.533 4.640 -0.140 0.000 0.238 190 D C -0.399 175.795 176.300 -0.178 0.000 1.138 190 D CA 1.472 55.337 54.000 -0.225 0.000 0.873 190 D CB 0.340 40.770 40.800 -0.616 0.000 1.183 190 D HN -0.691 7.527 8.370 -0.159 0.057 0.458 191 Y N -2.624 117.617 120.300 -0.098 0.000 2.625 191 Y HA 0.662 5.222 4.550 -0.204 -0.133 0.338 191 Y C -2.293 173.585 175.900 -0.036 0.000 1.123 191 Y CA -2.408 55.633 58.100 -0.099 0.000 1.046 191 Y CB 2.862 41.317 38.460 -0.009 0.000 1.299 191 Y HN 0.222 8.274 8.280 -0.380 0.000 0.464 192 W N -1.778 119.789 121.300 0.445 0.000 2.578 192 W HA 0.824 5.828 4.660 0.248 -0.196 0.346 192 W C -0.327 176.456 176.519 0.440 0.000 1.075 192 W CA -1.506 56.049 57.345 0.349 0.000 1.233 192 W CB 3.502 33.127 29.460 0.274 0.000 1.358 192 W HN 0.543 9.057 8.180 0.558 0.000 0.574 193 T N 1.032 115.953 114.554 0.611 0.000 2.933 193 T HA 0.925 5.723 4.350 0.415 -0.199 0.305 193 T C -2.044 172.919 174.700 0.438 0.000 1.092 193 T CA -2.000 60.370 62.100 0.450 0.000 1.008 193 T CB 2.038 71.118 68.868 0.353 0.000 1.102 193 T HN 0.646 9.216 8.240 0.550 0.000 0.469 194 Y N 1.577 122.020 120.300 0.238 0.000 2.641 194 Y HA 0.672 5.320 4.550 0.163 0.000 0.333 194 Y C -3.407 172.629 175.900 0.228 0.000 1.174 194 Y CA -2.401 55.817 58.100 0.197 0.000 1.057 194 Y CB 0.848 39.409 38.460 0.169 0.000 1.322 194 Y HN -0.071 8.269 8.280 0.099 0.000 0.457 195 P HA 0.394 4.924 4.420 -0.018 -0.122 0.287 195 P C -1.174 176.212 177.300 0.144 0.000 1.281 195 P CA -0.765 62.369 63.100 0.058 0.000 0.781 195 P CB 1.007 32.777 31.700 0.116 0.000 0.903 196 G N 2.662 111.548 108.800 0.144 0.000 2.933 196 G HA2 0.511 4.823 3.960 0.318 0.000 0.203 196 G HA3 0.511 4.737 3.960 0.443 0.000 0.203 196 G C -2.564 172.514 174.900 0.297 0.000 1.170 196 G CA 0.177 45.472 45.100 0.326 0.000 0.880 196 G HN 0.726 9.074 8.290 0.097 0.000 0.573 197 S N -0.883 115.076 115.700 0.431 0.000 2.661 197 S HA 0.682 5.397 4.470 0.187 -0.133 0.285 197 S C -0.048 174.780 174.600 0.380 0.000 1.138 197 S CA -2.256 56.117 58.200 0.288 0.000 0.855 197 S CB 3.517 66.830 63.200 0.189 0.000 1.136 197 S HN -0.090 8.570 8.310 0.584 0.000 0.484 198 L N -0.586 120.759 121.223 0.203 0.000 2.506 198 L HA -0.052 4.459 4.340 0.286 0.000 0.281 198 L C 1.370 178.373 176.870 0.222 0.000 1.228 198 L CA 0.959 55.924 54.840 0.209 0.000 0.850 198 L CB -0.363 41.736 42.059 0.067 0.000 1.110 198 L HN 0.059 8.361 8.230 0.120 0.000 0.496 199 T N -4.509 110.225 114.554 0.301 0.000 3.086 199 T HA 0.078 4.557 4.350 0.215 0.000 0.250 199 T C -0.428 174.378 174.700 0.176 0.000 1.074 199 T CA -0.222 62.031 62.100 0.255 0.000 0.988 199 T CB 0.316 69.353 68.868 0.282 0.000 0.988 199 T HN 0.150 8.625 8.240 0.391 0.000 0.530 200 T N -2.171 112.342 114.554 -0.069 0.000 2.908 200 T HA 0.396 4.199 4.350 -0.912 0.000 0.290 200 T C -2.749 171.364 174.700 -0.979 0.000 1.034 200 T CA -3.787 57.928 62.100 -0.642 0.000 1.010 200 T CB 1.430 70.027 68.868 -0.451 0.000 1.068 200 T HN -0.798 7.387 8.240 -0.013 0.048 0.481 201 P HA 0.031 3.531 4.420 -1.629 -0.058 0.263 201 P C -1.416 175.232 177.300 -1.087 0.000 1.175 201 P CA -0.333 61.639 63.100 -1.881 0.000 0.761 201 P CB -0.267 29.572 31.700 -3.102 0.000 0.794 202 P HA 0.047 3.756 4.420 -1.185 0.000 0.253 202 P C -0.793 176.262 177.300 -0.407 0.000 1.260 202 P CA -0.227 62.479 63.100 -0.657 0.000 0.800 202 P CB 0.330 31.919 31.700 -0.184 0.000 1.162 203 L N -5.236 115.761 121.223 -0.377 0.000 4.040 203 L HA -0.509 3.943 4.340 -0.126 -0.187 0.410 203 L C -1.230 175.610 176.870 -0.049 0.000 1.187 203 L CA 0.349 55.087 54.840 -0.170 0.000 0.956 203 L CB -2.561 39.414 42.059 -0.139 0.000 2.022 203 L HN -0.345 7.571 8.230 -0.428 0.057 0.897 204 L N -3.356 117.833 121.223 -0.056 0.000 2.456 204 L HA -0.103 4.227 4.340 -0.016 0.000 0.272 204 L C 0.134 177.010 176.870 0.010 0.000 1.189 204 L CA 0.236 55.060 54.840 -0.026 0.000 0.846 204 L CB 0.365 42.389 42.059 -0.058 0.000 1.111 204 L HN -0.422 7.740 8.230 -0.086 0.016 0.475 205 E N 2.763 122.975 120.200 0.019 0.000 2.110 205 E HA 0.097 4.611 4.350 0.076 -0.118 0.300 205 E C -0.150 176.462 176.600 0.021 0.000 1.278 205 E CA 0.038 56.466 56.400 0.046 0.000 1.365 205 E CB -1.454 28.278 29.700 0.054 0.000 1.283 205 E HN 0.659 9.025 8.360 0.010 0.000 0.490 206 C N -3.330 115.974 119.300 0.006 0.000 3.386 206 C HA 0.489 5.046 4.460 -0.017 -0.107 0.279 206 C C -1.654 173.321 174.990 -0.025 0.000 1.508 206 C CA -2.193 56.811 59.018 -0.023 0.000 1.801 206 C CB 1.456 29.152 27.740 -0.073 0.000 2.798 206 C HN -0.102 8.106 8.230 0.017 0.032 0.605 207 V N 2.352 122.239 119.914 -0.045 0.000 2.417 207 V HA 0.297 4.464 4.120 -0.196 -0.164 0.291 207 V C -1.126 174.836 176.094 -0.220 0.000 1.024 207 V CA -1.524 60.656 62.300 -0.199 0.000 0.861 207 V CB 1.911 33.492 31.823 -0.403 0.000 0.985 207 V HN -0.592 7.598 8.190 0.000 0.000 0.436 208 T N 9.085 123.480 114.554 -0.266 0.000 2.723 208 T HA 0.152 4.389 4.350 -0.188 0.000 0.297 208 T C -0.826 173.622 174.700 -0.420 0.000 0.925 208 T CA 1.012 62.953 62.100 -0.264 0.000 1.030 208 T CB 0.382 69.113 68.868 -0.229 0.000 0.905 208 T HN 0.370 8.465 8.240 -0.243 0.000 0.502 209 W N 8.554 129.636 121.300 -0.363 0.000 2.316 209 W HA 0.106 4.741 4.660 -0.259 -0.131 0.311 209 W C -0.767 175.616 176.519 -0.226 0.000 1.217 209 W CA -0.220 56.917 57.345 -0.347 0.000 1.199 209 W CB 1.376 30.485 29.460 -0.585 0.000 1.202 209 W HN 0.421 8.466 8.180 -0.225 0.000 0.528 210 I N 3.604 124.197 120.570 0.038 0.000 2.448 210 I HA 0.474 4.857 4.170 0.074 -0.168 0.281 210 I C -1.340 174.837 176.117 0.101 0.000 1.027 210 I CA -0.651 60.641 61.300 -0.013 0.000 1.111 210 I CB 1.891 39.703 38.000 -0.314 0.000 1.236 210 I HN 0.649 8.863 8.210 0.007 0.000 0.452 211 V N 7.630 127.685 119.914 0.235 0.000 2.357 211 V HA 0.378 4.705 4.120 0.060 -0.171 0.284 211 V C -0.799 175.446 176.094 0.252 0.000 1.018 211 V CA -1.576 60.830 62.300 0.177 0.000 0.841 211 V CB 1.629 33.535 31.823 0.138 0.000 0.991 211 V HN 0.764 9.165 8.190 0.352 0.000 0.437 212 L N 6.928 128.200 121.223 0.082 0.000 2.416 212 L HA 0.013 4.551 4.340 0.045 -0.170 0.272 212 L C 0.330 177.242 176.870 0.070 0.000 1.161 212 L CA 0.438 55.302 54.840 0.041 0.000 0.845 212 L CB -0.157 41.894 42.059 -0.014 0.000 1.119 212 L HN 0.288 8.517 8.230 -0.001 0.000 0.464 213 K N 3.884 124.171 120.400 -0.188 0.000 2.103 213 K HA -0.212 4.129 4.320 0.034 0.000 0.204 213 K C 0.032 176.638 176.600 0.009 0.000 1.052 213 K CA 1.681 57.824 56.287 -0.240 0.000 0.945 213 K CB 0.461 32.437 32.500 -0.872 0.000 0.722 213 K HN -0.011 8.047 8.250 -0.319 0.000 0.443 214 E N -0.815 119.348 120.200 -0.061 0.000 2.152 214 E HA 0.195 4.548 4.350 0.005 0.000 0.285 214 E C -1.791 174.833 176.600 0.040 0.000 1.043 214 E CA -3.297 53.094 56.400 -0.015 0.000 0.839 214 E CB 0.605 30.270 29.700 -0.060 0.000 1.069 214 E HN -0.106 8.186 8.360 -0.113 0.000 0.399 215 P HA 0.054 4.621 4.420 0.052 -0.116 0.274 215 P C -0.876 176.461 177.300 0.062 0.000 1.246 215 P CA -0.526 62.605 63.100 0.051 0.000 0.795 215 P CB 1.145 32.863 31.700 0.029 0.000 1.006 216 I N -5.818 114.797 120.570 0.075 0.000 2.566 216 I HA 0.336 4.544 4.170 0.063 0.000 0.303 216 I C -1.228 174.943 176.117 0.089 0.000 0.983 216 I CA -1.338 60.009 61.300 0.078 0.000 1.235 216 I CB 2.049 40.102 38.000 0.087 0.000 1.386 216 I HN 0.298 8.558 8.210 0.084 0.000 0.494 217 S N 2.839 118.581 115.700 0.070 0.000 2.508 217 S HA 0.674 5.385 4.470 0.072 -0.198 0.284 217 S C -0.284 174.339 174.600 0.038 0.000 1.192 217 S CA -1.868 56.368 58.200 0.059 0.000 1.070 217 S CB 0.590 63.817 63.200 0.045 0.000 1.004 217 S HN 0.031 8.378 8.310 0.060 0.000 0.493 218 V N 1.737 121.659 119.914 0.013 0.000 3.074 218 V HA 0.696 4.980 4.120 -0.025 -0.179 0.314 218 V C -1.651 174.408 176.094 -0.058 0.000 1.117 218 V CA -2.892 59.385 62.300 -0.039 0.000 1.014 218 V CB 3.854 35.614 31.823 -0.105 0.000 1.057 218 V HN 0.636 8.837 8.190 0.019 0.000 0.438 219 S N 0.211 115.862 115.700 -0.082 0.000 2.652 219 S HA 0.467 5.116 4.470 -0.050 -0.208 0.270 219 S C 1.150 175.687 174.600 -0.106 0.000 1.243 219 S CA -1.686 56.470 58.200 -0.073 0.000 0.999 219 S CB 2.274 65.438 63.200 -0.059 0.000 0.973 219 S HN -0.091 8.422 8.310 -0.092 -0.259 0.544 220 S N 2.113 117.767 115.700 -0.076 0.000 2.387 220 S HA -0.419 4.000 4.470 -0.085 0.000 0.230 220 S C 1.773 176.310 174.600 -0.106 0.000 1.035 220 S CA 3.947 62.099 58.200 -0.080 0.000 1.014 220 S CB -0.332 62.840 63.200 -0.046 0.000 0.836 220 S HN 0.742 9.019 8.310 -0.055 0.000 0.466 221 E N -0.052 120.091 120.200 -0.095 0.000 2.106 221 E HA -0.327 3.972 4.350 -0.085 0.000 0.192 221 E C 2.481 178.990 176.600 -0.151 0.000 0.984 221 E CA 3.495 59.836 56.400 -0.097 0.000 0.806 221 E CB -0.796 28.863 29.700 -0.069 0.000 0.750 221 E HN 0.178 8.482 8.360 -0.079 0.008 0.458 222 Q N -0.407 119.275 119.800 -0.197 0.000 2.046 222 Q HA -0.288 3.905 4.340 -0.245 0.000 0.200 222 Q C 2.586 178.252 176.000 -0.557 0.000 0.975 222 Q CA 3.067 58.685 55.803 -0.308 0.000 0.836 222 Q CB 0.209 28.774 28.738 -0.289 0.000 0.896 222 Q HN -0.663 7.417 8.270 -0.172 0.088 0.428 223 V N 0.237 119.819 119.914 -0.554 0.000 2.548 223 V HA -0.386 2.971 4.120 -1.273 0.000 0.249 223 V C 1.343 177.215 176.094 -0.370 0.000 1.055 223 V CA 2.919 64.802 62.300 -0.695 0.000 1.065 223 V CB -0.059 31.509 31.823 -0.426 0.000 0.681 223 V HN -0.619 7.328 8.190 -0.406 0.000 0.462 224 L N -1.517 119.578 121.223 -0.213 0.000 2.079 224 L HA -0.453 3.851 4.340 -0.060 0.000 0.210 224 L C 1.660 178.476 176.870 -0.091 0.000 1.081 224 L CA 2.950 57.728 54.840 -0.103 0.000 0.752 224 L CB -0.423 41.594 42.059 -0.070 0.000 0.896 224 L HN -0.122 7.986 8.230 -0.203 0.000 0.433 225 K N -2.394 117.926 120.400 -0.133 0.000 2.155 225 K HA -0.320 3.963 4.320 -0.062 0.000 0.203 225 K C 2.793 179.376 176.600 -0.030 0.000 1.052 225 K CA 2.987 59.225 56.287 -0.082 0.000 0.948 225 K CB -0.207 32.238 32.500 -0.092 0.000 0.728 225 K HN -0.804 7.329 8.250 -0.183 0.007 0.448 226 F N -0.467 119.242 119.950 -0.401 0.000 2.126 226 F HA -0.258 3.909 4.527 -0.600 0.000 0.299 226 F C 1.937 177.549 175.800 -0.313 0.000 1.096 226 F CA 1.169 58.776 58.000 -0.656 0.000 1.255 226 F CB -1.026 37.124 39.000 -1.417 0.000 0.997 226 F HN -0.709 7.515 8.300 -0.127 0.000 0.479 227 R N -5.424 115.113 120.500 0.062 0.000 2.339 227 R HA -0.078 4.531 4.340 0.448 0.000 0.199 227 R C 0.579 176.958 176.300 0.132 0.000 1.018 227 R CA 1.163 57.399 56.100 0.227 0.000 1.036 227 R CB -0.450 29.963 30.300 0.187 0.000 0.899 227 R HN -0.741 7.422 8.270 -0.007 0.103 0.473 228 K N -2.746 117.691 120.400 0.062 0.000 2.400 228 K HA -0.065 4.277 4.320 0.037 0.000 0.194 228 K C 0.658 177.272 176.600 0.023 0.000 1.033 228 K CA 0.201 56.507 56.287 0.030 0.000 1.021 228 K CB 0.490 32.988 32.500 -0.003 0.000 0.808 228 K HN -0.711 7.401 8.250 0.036 0.160 0.505 229 L N -0.743 120.506 121.223 0.044 0.000 2.479 229 L HA -0.166 4.174 4.340 -0.001 0.000 0.270 229 L C -0.655 176.213 176.870 -0.004 0.000 1.236 229 L CA 0.604 55.463 54.840 0.032 0.000 0.823 229 L CB 0.675 42.799 42.059 0.108 0.000 1.098 229 L HN -0.798 7.444 8.230 0.073 0.031 0.500 230 N N -2.096 116.592 118.700 -0.019 0.000 2.269 230 N HA 0.369 5.225 4.740 -0.048 -0.146 0.304 230 N C 0.498 176.006 175.510 -0.003 0.000 1.072 230 N CA -0.752 52.285 53.050 -0.023 0.000 0.802 230 N CB 3.058 41.562 38.487 0.028 0.000 1.348 230 N HN -0.028 8.351 8.380 -0.003 0.000 0.484 231 F N 0.241 120.234 119.950 0.071 0.000 2.293 231 F HA -0.139 4.420 4.527 0.054 0.000 0.297 231 F C 0.084 175.897 175.800 0.022 0.000 1.089 231 F CA 2.254 60.286 58.000 0.052 0.000 1.377 231 F CB 0.399 39.435 39.000 0.061 0.000 1.051 231 F HN 0.258 8.614 8.300 0.094 0.000 0.511 232 N N -2.794 116.035 118.700 0.215 0.000 2.424 232 N HA -0.063 4.735 4.740 0.096 0.000 0.257 232 N C 0.332 175.880 175.510 0.063 0.000 1.250 232 N CA -0.099 53.017 53.050 0.111 0.000 0.946 232 N CB 0.862 39.404 38.487 0.092 0.000 1.175 232 N HN -0.918 7.591 8.380 0.215 0.000 0.477 233 G N -2.601 106.218 108.800 0.031 0.000 2.537 233 G HA2 0.031 3.997 3.960 0.010 0.000 0.273 233 G HA3 0.031 3.991 3.960 0.001 0.000 0.273 233 G C -1.756 173.150 174.900 0.011 0.000 1.189 233 G CA -1.347 43.760 45.100 0.012 0.000 0.881 233 G HN -0.126 8.447 8.290 0.024 -0.269 0.535 234 E N 2.271 122.472 120.200 0.003 0.000 2.465 234 E HA -0.321 4.032 4.350 0.004 0.000 0.260 234 E C 1.061 177.663 176.600 0.002 0.000 0.980 234 E CA 1.482 57.883 56.400 0.001 0.000 0.927 234 E CB 0.147 29.844 29.700 -0.005 0.000 0.934 234 E HN 0.111 8.470 8.360 -0.002 0.000 0.459 235 G N 4.452 113.255 108.800 0.005 0.000 2.159 235 G HA2 -0.467 3.496 3.960 0.005 0.000 0.256 235 G HA3 -0.467 3.494 3.960 0.001 0.000 0.256 235 G C -0.649 174.256 174.900 0.007 0.000 0.977 235 G CA 0.054 45.156 45.100 0.004 0.000 0.652 235 G HN 0.498 8.792 8.290 0.006 0.000 0.531 236 E N 0.367 120.575 120.200 0.012 0.000 2.249 236 E HA 0.323 4.681 4.350 0.013 0.000 0.263 236 E C -2.494 174.122 176.600 0.026 0.000 0.950 236 E CA -3.067 53.344 56.400 0.017 0.000 0.827 236 E CB 0.984 30.695 29.700 0.018 0.000 1.220 236 E HN -0.631 7.684 8.360 0.014 0.054 0.411 237 P HA -0.061 4.378 4.420 0.032 0.000 0.265 237 P C -1.653 175.679 177.300 0.053 0.000 1.193 237 P CA 0.021 63.143 63.100 0.037 0.000 0.765 237 P CB 0.555 32.277 31.700 0.037 0.000 0.823 238 E N 3.526 123.758 120.200 0.052 0.000 2.299 238 E HA -0.292 4.274 4.350 0.064 -0.177 0.272 238 E C -0.709 175.944 176.600 0.088 0.000 1.043 238 E CA 0.462 56.900 56.400 0.062 0.000 0.895 238 E CB 0.606 30.335 29.700 0.048 0.000 1.011 238 E HN 0.036 8.422 8.360 0.044 0.000 0.432 239 E N 8.837 129.111 120.200 0.124 0.000 2.216 239 E HA 0.296 4.737 4.350 0.152 0.000 0.260 239 E C -1.650 175.047 176.600 0.163 0.000 0.880 239 E CA -1.934 54.574 56.400 0.181 0.000 0.765 239 E CB 2.234 32.089 29.700 0.259 0.000 1.174 239 E HN 0.361 9.138 8.360 0.128 -0.340 0.417 240 L N 5.955 127.239 121.223 0.102 0.000 2.490 240 L HA -0.040 4.436 4.340 -0.016 -0.145 0.274 240 L C 0.620 177.345 176.870 -0.242 0.000 1.201 240 L CA 0.105 54.945 54.840 -0.000 0.000 0.869 240 L CB 0.476 42.567 42.059 0.054 0.000 1.123 240 L HN 0.524 8.823 8.230 0.115 0.000 0.484 241 M N 5.625 124.936 119.600 -0.482 0.000 2.821 241 M HA -0.001 2.882 4.480 -2.660 0.000 0.305 241 M C -2.000 174.065 176.300 -0.392 0.000 1.466 241 M CA 0.192 54.819 55.300 -1.122 0.000 1.526 241 M CB -1.462 30.761 32.600 -0.628 0.000 1.321 241 M HN 0.182 8.197 8.290 -0.263 0.117 0.492 242 V N -1.989 117.719 119.914 -0.344 0.000 3.114 242 V HA 0.282 4.306 4.120 -0.160 0.000 0.308 242 V C -1.403 174.684 176.094 -0.012 0.000 1.168 242 V CA -2.231 60.031 62.300 -0.063 0.000 1.015 242 V CB 3.659 35.581 31.823 0.164 0.000 1.050 242 V HN -0.456 7.518 8.190 -0.359 0.000 0.433 243 D N -1.344 119.077 120.400 0.035 0.000 2.699 243 D HA -0.335 4.663 4.640 0.462 -0.081 0.239 243 D C -0.260 175.869 176.300 -0.284 0.000 1.136 243 D CA 1.862 55.919 54.000 0.095 0.000 0.668 243 D CB -1.731 39.127 40.800 0.097 0.000 1.060 243 D HN 0.019 8.437 8.370 0.080 0.000 0.429 244 N N -3.426 115.029 118.700 -0.408 0.000 2.802 244 N HA 0.048 3.583 4.740 -2.008 0.000 0.288 244 N C -1.272 173.931 175.510 -0.511 0.000 1.268 244 N CA -1.030 51.387 53.050 -1.055 0.000 1.035 244 N CB -1.542 36.500 38.487 -0.742 0.000 1.353 244 N HN -0.289 7.848 8.380 -0.404 0.000 0.522 245 W N -5.656 115.522 121.300 -0.203 0.000 2.666 245 W HA 0.509 5.416 4.660 0.143 -0.162 0.334 245 W C -1.072 175.583 176.519 0.226 0.000 1.051 245 W CA -3.070 54.332 57.345 0.094 0.000 1.224 245 W CB 1.915 31.418 29.460 0.072 0.000 1.405 245 W HN -0.745 7.044 8.180 -0.514 0.083 0.513 246 R N 3.928 124.663 120.500 0.392 0.000 2.357 246 R HA 0.447 4.775 4.340 -0.021 0.000 0.296 246 R C -1.924 174.521 176.300 0.240 0.000 1.052 246 R CA -3.155 53.045 56.100 0.168 0.000 0.988 246 R CB 2.041 32.456 30.300 0.190 0.000 1.025 246 R HN 0.445 9.297 8.270 0.380 -0.354 0.469 247 P HA 0.056 4.769 4.420 0.487 0.000 0.274 247 P C -0.730 176.614 177.300 0.074 0.000 1.256 247 P CA -0.885 62.361 63.100 0.244 0.000 0.795 247 P CB 0.689 32.471 31.700 0.138 0.000 1.038 248 A N -0.219 122.629 122.820 0.047 0.000 2.540 248 A HA -0.218 4.187 4.320 -0.083 -0.135 0.239 248 A C -0.775 176.783 177.584 -0.044 0.000 1.061 248 A CA 0.852 52.866 52.037 -0.038 0.000 0.758 248 A CB -0.022 18.950 19.000 -0.045 0.000 0.991 248 A HN 0.046 8.246 8.150 0.084 0.000 0.502 249 Q N 3.182 122.944 119.800 -0.062 0.000 2.241 249 Q HA 0.536 4.851 4.340 -0.043 0.000 0.262 249 Q C -1.675 174.295 176.000 -0.050 0.000 1.014 249 Q CA -3.348 52.427 55.803 -0.046 0.000 0.885 249 Q CB 0.853 29.577 28.738 -0.023 0.000 1.311 249 Q HN 0.070 8.290 8.270 -0.084 0.000 0.461 250 P HA -0.037 4.358 4.420 -0.043 0.000 0.268 250 P C 0.070 177.351 177.300 -0.033 0.000 1.204 250 P CA -0.160 62.918 63.100 -0.036 0.000 0.768 250 P CB 0.558 32.242 31.700 -0.026 0.000 0.842 251 L N 5.009 126.204 121.223 -0.047 0.000 2.141 251 L HA -0.235 4.067 4.340 -0.064 0.000 0.209 251 L C 0.885 177.752 176.870 -0.006 0.000 1.094 251 L CA 1.961 56.772 54.840 -0.049 0.000 0.763 251 L CB -0.429 41.587 42.059 -0.072 0.000 0.908 251 L HN 0.248 8.447 8.230 -0.052 0.000 0.437 252 K N -4.045 116.352 120.400 -0.004 0.000 1.939 252 K HA -0.493 3.829 4.320 0.003 0.000 0.165 252 K C 0.763 177.373 176.600 0.017 0.000 1.508 252 K CA 1.786 58.079 56.287 0.009 0.000 0.525 252 K CB -1.519 30.993 32.500 0.020 0.000 0.615 252 K HN -0.190 8.052 8.250 -0.013 0.000 0.888 253 N N 3.543 122.261 118.700 0.030 0.000 3.331 253 N HA 0.087 4.843 4.740 0.027 0.000 0.303 253 N C -1.127 174.413 175.510 0.051 0.000 1.326 253 N CA -0.237 52.834 53.050 0.034 0.000 1.207 253 N CB -1.070 37.437 38.487 0.033 0.000 1.477 253 N HN 0.160 8.560 8.380 0.034 0.000 0.541 254 R N -0.444 120.087 120.500 0.051 0.000 2.771 254 R HA 0.248 4.642 4.340 0.089 0.000 0.274 254 R C -1.415 174.921 176.300 0.061 0.000 0.987 254 R CA -0.956 55.191 56.100 0.079 0.000 0.908 254 R CB 3.110 33.483 30.300 0.122 0.000 1.213 254 R HN -0.663 7.577 8.270 0.036 0.051 0.468 255 Q N 0.735 120.586 119.800 0.085 0.000 2.333 255 Q HA 0.189 4.558 4.340 0.049 0.000 0.267 255 Q C -1.168 174.905 176.000 0.121 0.000 1.012 255 Q CA -1.086 54.762 55.803 0.075 0.000 0.824 255 Q CB 2.256 31.033 28.738 0.066 0.000 1.290 255 Q HN 0.202 8.535 8.270 0.105 0.000 0.449 256 I N 4.756 125.382 120.570 0.095 0.000 2.365 256 I HA 0.146 4.619 4.170 0.250 -0.152 0.291 256 I C -0.345 175.874 176.117 0.169 0.000 1.004 256 I CA -0.548 60.846 61.300 0.157 0.000 1.311 256 I CB 0.664 38.697 38.000 0.055 0.000 1.401 256 I HN 0.350 8.589 8.210 0.049 0.000 0.491 257 K N 6.440 126.973 120.400 0.221 0.000 2.156 257 K HA 0.640 5.181 4.320 0.111 -0.155 0.254 257 K C -1.446 175.269 176.600 0.192 0.000 0.950 257 K CA -1.705 54.678 56.287 0.159 0.000 0.849 257 K CB 2.914 35.484 32.500 0.116 0.000 1.100 257 K HN 0.102 8.514 8.250 0.270 0.000 0.434 258 A N 2.341 125.183 122.820 0.037 0.000 2.337 258 A HA 0.808 5.186 4.320 -0.166 -0.157 0.329 258 A C -0.276 177.135 177.584 -0.289 0.000 1.146 258 A CA -2.436 49.475 52.037 -0.210 0.000 0.800 258 A CB 2.931 21.616 19.000 -0.526 0.000 1.220 258 A HN 0.556 8.599 8.150 0.005 0.110 0.472 259 S N 1.709 117.137 115.700 -0.452 0.000 2.593 259 S HA 0.026 4.314 4.470 -0.303 0.000 0.217 259 S C -0.692 173.935 174.600 0.044 0.000 0.966 259 S CA 0.978 58.948 58.200 -0.384 0.000 0.914 259 S CB 1.031 63.604 63.200 -1.046 0.000 0.776 259 S HN 0.099 8.101 8.310 -0.513 0.000 0.523 260 F N -3.932 115.986 119.950 -0.054 0.000 2.626 260 F HA 0.291 4.735 4.527 -0.140 0.000 0.311 260 F C -2.862 172.735 175.800 -0.338 0.000 1.088 260 F CA -1.991 55.907 58.000 -0.169 0.000 0.949 260 F CB 2.200 41.051 39.000 -0.249 0.000 1.322 260 F HN -0.798 7.108 8.300 -0.533 0.074 0.461 261 K N 0.000 120.085 120.400 -0.525 0.000 2.780 261 K HA 0.000 3.992 4.320 -0.547 0.000 0.191 261 K CA 0.000 55.959 56.287 -0.547 0.000 0.838 261 K CB 0.000 31.988 32.500 -0.854 0.000 1.064 261 K HN 0.000 8.013 8.250 -0.395 0.000 0.543