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 1bpr_1_A DATA FIRST_RESID 381 DATA SEQUENCE SIEGRVKDVL LLDVTPLSLG IETMGGVMTT LIAKNTTIPT KHSQVFSTAE DATA SEQUENCE DNQSAVTIHV LQGERKRAAD NKSLGQFNLD GINPAPRGMP QIEVTFDIDA DATA SEQUENCE DGILHVSAKD KNSGKEQKIT IKASSGLNED EIQKMVRDAE ANAEADRKFE DATA SEQUENCE ELVQTRNQGD HLLHSTRKQV EEA 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 381 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 381 S C 0.000 174.599 174.600 -0.001 0.000 1.055 381 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 381 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 382 I N -1.157 119.412 120.570 -0.001 0.000 6.100 382 I HA -0.289 3.880 4.170 -0.001 0.000 0.126 382 I C -1.201 174.915 176.117 -0.002 0.000 1.820 382 I CA 0.448 61.748 61.300 -0.001 0.000 2.045 382 I CB -0.664 37.335 38.000 -0.001 0.000 3.435 382 I HN 0.000 8.210 8.210 -0.001 0.000 0.171 383 E N -2.359 117.841 120.200 -0.001 0.000 2.401 383 E HA -0.245 4.104 4.350 -0.002 0.000 0.272 383 E C -0.954 175.644 176.600 -0.002 0.000 1.895 383 E CA 0.289 56.688 56.400 -0.002 0.000 0.997 383 E CB -0.570 29.129 29.700 -0.002 0.000 0.834 383 E HN -0.080 8.244 8.360 -0.001 0.035 0.334 384 G N 1.772 110.571 108.800 -0.002 0.000 5.413 384 G HA2 -0.137 3.821 3.960 -0.003 0.000 0.206 384 G HA3 -0.137 3.898 3.960 -0.003 -0.076 0.206 384 G C -0.939 173.960 174.900 -0.003 0.000 0.794 384 G CA 0.284 45.382 45.100 -0.003 0.000 0.751 384 G HN -0.021 8.268 8.290 -0.002 0.000 0.334 385 R N 1.046 121.545 120.500 -0.002 0.000 4.231 385 R HA 0.144 4.483 4.340 -0.002 0.000 0.250 385 R C -1.243 175.056 176.300 -0.003 0.000 1.600 385 R CA -1.164 54.935 56.100 -0.002 0.000 1.523 385 R CB -2.438 27.862 30.300 -0.001 0.000 1.422 385 R HN -0.081 8.188 8.270 -0.002 0.000 0.759 386 V N 0.482 120.394 119.914 -0.003 0.000 2.302 386 V HA -0.298 3.819 4.120 -0.005 0.000 0.243 386 V C 0.316 176.408 176.094 -0.004 0.000 1.036 386 V CA 2.537 64.835 62.300 -0.005 0.000 1.020 386 V CB 0.520 32.339 31.823 -0.006 0.000 0.657 386 V HN -0.552 7.567 8.190 -0.003 0.069 0.453 387 K N -0.067 120.331 120.400 -0.003 0.000 2.172 387 K HA -0.031 4.288 4.320 -0.002 0.000 0.276 387 K C -1.490 175.109 176.600 -0.001 0.000 1.013 387 K CA -0.228 56.057 56.287 -0.002 0.000 0.913 387 K CB 0.941 33.440 32.500 -0.002 0.000 1.055 387 K HN -0.251 7.997 8.250 -0.003 0.000 0.461 388 D N 5.803 126.203 120.400 -0.000 0.000 2.351 388 D HA 0.031 4.672 4.640 0.001 0.000 0.235 388 D C -1.299 175.003 176.300 0.002 0.000 1.331 388 D CA 0.118 54.118 54.000 0.001 0.000 0.959 388 D CB 1.373 42.173 40.800 0.001 0.000 1.432 388 D HN 0.249 8.619 8.370 0.000 0.000 0.544 389 V N 5.063 124.978 119.914 0.002 0.000 2.383 389 V HA 0.224 4.538 4.120 0.004 -0.192 0.264 389 V C -1.384 174.712 176.094 0.003 0.000 1.001 389 V CA -0.346 61.956 62.300 0.003 0.000 0.828 389 V CB 0.684 32.510 31.823 0.004 0.000 1.069 389 V HN 0.268 8.459 8.190 0.002 0.000 0.451 390 L N 3.801 125.026 121.223 0.003 0.000 2.598 390 L HA 0.178 4.520 4.340 0.003 0.000 0.205 390 L C 0.246 177.118 176.870 0.003 0.000 1.054 390 L CA 1.067 55.908 54.840 0.003 0.000 0.934 390 L CB 1.181 43.241 42.059 0.002 0.000 1.704 390 L HN 0.016 8.309 8.230 0.003 -0.061 0.491 391 L N -1.472 119.753 121.223 0.003 0.000 3.017 391 L HA 0.142 4.484 4.340 0.003 0.000 0.255 391 L C -1.446 175.426 176.870 0.003 0.000 1.247 391 L CA -0.053 54.789 54.840 0.003 0.000 1.038 391 L CB 0.470 42.530 42.059 0.002 0.000 1.380 391 L HN -0.134 8.098 8.230 0.002 0.000 0.548 392 L N -1.783 119.442 121.223 0.004 0.000 2.518 392 L HA 0.196 4.539 4.340 0.005 0.000 0.262 392 L C -1.331 175.543 176.870 0.006 0.000 0.982 392 L CA -0.587 54.256 54.840 0.005 0.000 0.873 392 L CB 2.243 44.304 42.059 0.004 0.000 1.198 392 L HN -0.705 7.491 8.230 0.004 0.037 0.427 393 D N 7.135 127.540 120.400 0.008 0.000 2.639 393 D HA 0.125 4.770 4.640 0.009 0.000 0.233 393 D C -1.048 175.260 176.300 0.013 0.000 1.161 393 D CA -0.917 53.089 54.000 0.010 0.000 1.003 393 D CB -0.834 39.972 40.800 0.009 0.000 1.034 393 D HN 0.402 8.776 8.370 0.007 0.000 0.514 394 V N -3.447 116.475 119.914 0.013 0.000 3.139 394 V HA 0.761 4.975 4.120 0.021 -0.081 0.310 394 V C -0.698 175.408 176.094 0.020 0.000 1.260 394 V CA -4.036 58.275 62.300 0.017 0.000 1.064 394 V CB 3.391 35.221 31.823 0.013 0.000 1.160 394 V HN -0.614 7.507 8.190 0.011 0.075 0.470 395 T N -2.368 112.202 114.554 0.025 0.000 2.793 395 T HA 0.136 4.503 4.350 0.029 0.000 0.289 395 T C -0.494 174.214 174.700 0.013 0.000 0.956 395 T CA -1.406 60.709 62.100 0.025 0.000 1.177 395 T CB -0.268 68.618 68.868 0.031 0.000 0.897 395 T HN -0.017 8.240 8.240 0.029 0.000 0.533 396 P HA 0.279 4.744 4.420 0.007 -0.040 0.261 396 P C -1.608 175.693 177.300 0.001 0.000 1.352 396 P CA 0.285 63.388 63.100 0.006 0.000 0.891 396 P CB 0.048 31.752 31.700 0.007 0.000 1.383 397 L N -4.295 116.926 121.223 -0.002 0.000 4.462 397 L HA 0.151 4.488 4.340 -0.004 0.000 0.441 397 L C -2.131 174.732 176.870 -0.010 0.000 1.051 397 L CA 0.130 54.967 54.840 -0.006 0.000 1.640 397 L CB 1.824 43.879 42.059 -0.007 0.000 1.727 397 L HN -0.985 7.164 8.230 -0.002 0.080 0.627 398 S N -3.813 111.880 115.700 -0.012 0.000 2.910 398 S HA -0.236 4.415 4.470 -0.022 -0.193 0.857 398 S C -1.444 173.134 174.600 -0.035 0.000 0.917 398 S CA 1.212 59.399 58.200 -0.021 0.000 1.426 398 S CB -0.532 62.658 63.200 -0.016 0.000 1.021 398 S HN -0.535 7.770 8.310 -0.009 0.000 0.237 399 L N -4.074 117.114 121.223 -0.058 0.000 2.541 399 L HA 0.766 5.300 4.340 -0.057 -0.229 0.266 399 L C -0.974 175.821 176.870 -0.126 0.000 0.966 399 L CA -0.691 54.106 54.840 -0.072 0.000 0.871 399 L CB 2.558 44.586 42.059 -0.053 0.000 1.232 399 L HN 0.389 8.580 8.230 -0.065 0.000 0.408 400 G N 3.175 111.905 108.800 -0.115 0.000 3.009 400 G HA2 0.619 4.454 3.960 -0.209 0.000 0.193 400 G HA3 0.619 4.592 3.960 -0.160 -0.108 0.193 400 G C -1.367 173.457 174.900 -0.126 0.000 1.636 400 G CA -0.079 44.928 45.100 -0.155 0.000 0.832 400 G HN 0.096 8.334 8.290 -0.088 0.000 0.795 401 I N -0.763 119.726 120.570 -0.135 0.000 2.802 401 I HA 0.530 4.856 4.170 -0.079 -0.203 0.298 401 I C -2.050 173.986 176.117 -0.135 0.000 1.176 401 I CA -2.584 58.640 61.300 -0.127 0.000 1.025 401 I CB 4.547 42.440 38.000 -0.178 0.000 1.243 401 I HN 0.530 8.659 8.210 -0.134 0.000 0.424 402 E N 5.149 125.247 120.200 -0.169 0.000 2.366 402 E HA -0.161 4.180 4.350 -0.187 -0.103 0.266 402 E C -0.613 175.895 176.600 -0.155 0.000 1.015 402 E CA 1.009 57.277 56.400 -0.220 0.000 0.906 402 E CB 0.498 29.948 29.700 -0.418 0.000 0.979 402 E HN -0.224 8.048 8.360 -0.147 0.000 0.443 403 T N 3.598 118.082 114.554 -0.116 0.000 2.919 403 T HA 0.313 4.618 4.350 -0.075 0.000 0.282 403 T C 0.365 175.036 174.700 -0.049 0.000 1.020 403 T CA -2.460 59.594 62.100 -0.077 0.000 0.994 403 T CB 2.821 71.647 68.868 -0.071 0.000 1.180 403 T HN 0.631 8.696 8.240 -0.117 0.105 0.566 404 M N 0.999 120.586 119.600 -0.022 0.000 3.031 404 M HA -0.350 4.129 4.480 -0.003 0.000 0.373 404 M C 0.592 176.878 176.300 -0.024 0.000 1.815 404 M CA 1.943 57.235 55.300 -0.013 0.000 1.350 404 M CB -1.612 30.984 32.600 -0.006 0.000 2.030 404 M HN 0.665 8.944 8.290 -0.018 0.000 0.474 405 G N -0.151 108.636 108.800 -0.022 0.000 2.173 405 G HA2 -0.288 3.666 3.960 -0.006 0.000 0.174 405 G HA3 -0.288 3.707 3.960 -0.020 -0.047 0.174 405 G C -0.059 174.830 174.900 -0.018 0.000 1.025 405 G CA -0.604 44.486 45.100 -0.016 0.000 0.706 405 G HN 0.096 8.377 8.290 -0.015 0.000 0.499 406 G N -1.421 107.360 108.800 -0.032 0.000 2.289 406 G HA2 -0.452 3.464 3.960 -0.072 0.000 0.280 406 G HA3 -0.452 3.491 3.960 -0.028 0.000 0.280 406 G C -1.192 173.679 174.900 -0.049 0.000 1.089 406 G CA 0.368 45.440 45.100 -0.046 0.000 0.939 406 G HN -0.337 7.930 8.290 -0.039 0.000 0.499 407 V N -1.799 118.081 119.914 -0.058 0.000 3.046 407 V HA 0.562 4.656 4.120 -0.043 0.000 0.316 407 V C -1.481 174.572 176.094 -0.068 0.000 1.104 407 V CA -2.443 59.826 62.300 -0.051 0.000 1.006 407 V CB 3.419 35.218 31.823 -0.039 0.000 1.058 407 V HN -0.603 7.547 8.190 -0.067 0.000 0.440 408 M N 2.362 121.927 119.600 -0.058 0.000 2.263 408 M HA 0.381 4.944 4.480 -0.086 -0.134 0.295 408 M C -2.370 173.898 176.300 -0.054 0.000 1.028 408 M CA -1.282 53.978 55.300 -0.067 0.000 0.921 408 M CB 3.254 35.817 32.600 -0.062 0.000 1.601 408 M HN 0.053 8.316 8.290 -0.045 0.000 0.440 409 T N 8.312 122.826 114.554 -0.065 0.000 2.812 409 T HA 0.400 4.730 4.350 -0.032 0.000 0.282 409 T C -1.079 173.584 174.700 -0.062 0.000 0.990 409 T CA -0.467 61.603 62.100 -0.050 0.000 0.960 409 T CB 2.908 71.749 68.868 -0.045 0.000 0.948 409 T HN 0.283 8.472 8.240 -0.085 0.000 0.438 410 T N 5.908 120.436 114.554 -0.044 0.000 2.868 410 T HA 0.055 4.453 4.350 -0.080 -0.096 0.292 410 T C -0.498 174.154 174.700 -0.079 0.000 1.028 410 T CA -0.902 61.160 62.100 -0.062 0.000 1.059 410 T CB 0.821 69.666 68.868 -0.039 0.000 0.991 410 T HN 0.283 8.507 8.240 -0.026 0.000 0.531 411 L N 3.467 124.587 121.223 -0.171 0.000 2.356 411 L HA 0.150 4.406 4.340 -0.140 0.000 0.193 411 L C -0.256 176.439 176.870 -0.291 0.000 1.087 411 L CA 1.116 55.770 54.840 -0.309 0.000 0.817 411 L CB 1.501 43.146 42.059 -0.691 0.000 1.035 411 L HN 0.349 8.366 8.230 -0.175 0.109 0.482 412 I N -3.169 117.223 120.570 -0.296 0.000 2.474 412 I HA 0.100 4.344 4.170 0.124 0.000 0.294 412 I C -2.670 173.438 176.117 -0.016 0.000 1.005 412 I CA -1.426 59.848 61.300 -0.044 0.000 1.113 412 I CB 3.420 41.429 38.000 0.015 0.000 1.289 412 I HN -0.879 7.154 8.210 -0.294 0.000 0.436 413 A N 6.708 129.544 122.820 0.027 0.000 2.313 413 A HA 0.546 4.864 4.320 -0.004 0.000 0.323 413 A C -1.523 176.069 177.584 0.013 0.000 1.133 413 A CA -2.348 49.696 52.037 0.011 0.000 0.847 413 A CB 3.029 22.038 19.000 0.015 0.000 1.308 413 A HN 0.482 8.668 8.150 0.060 0.000 0.475 414 K N -0.371 120.033 120.400 0.007 0.000 2.336 414 K HA -0.293 4.155 4.320 0.010 -0.122 0.262 414 K C 0.097 176.701 176.600 0.006 0.000 0.992 414 K CA 1.444 57.735 56.287 0.007 0.000 0.927 414 K CB 0.279 32.781 32.500 0.004 0.000 0.956 414 K HN -0.376 7.875 8.250 0.002 0.000 0.495 415 N N -2.867 115.837 118.700 0.006 0.000 2.976 415 N HA -0.242 4.500 4.740 0.002 0.000 0.206 415 N C -1.611 173.899 175.510 0.001 0.000 0.910 415 N CA 1.805 54.856 53.050 0.002 0.000 1.030 415 N CB -0.153 38.334 38.487 -0.001 0.000 1.019 415 N HN 0.464 8.848 8.380 0.007 0.000 0.577 416 T N 3.646 118.205 114.554 0.008 0.000 2.738 416 T HA 0.225 4.573 4.350 -0.002 0.000 0.298 416 T C -0.753 173.961 174.700 0.023 0.000 0.962 416 T CA -0.329 61.778 62.100 0.012 0.000 0.972 416 T CB 0.314 69.199 68.868 0.028 0.000 0.928 416 T HN -0.565 7.576 8.240 0.012 0.106 0.474 417 T N 3.745 118.310 114.554 0.018 0.000 2.856 417 T HA 0.211 4.710 4.350 0.019 -0.138 0.292 417 T C -0.382 174.335 174.700 0.029 0.000 0.980 417 T CA -1.450 60.662 62.100 0.020 0.000 1.091 417 T CB 0.873 69.749 68.868 0.013 0.000 0.936 417 T HN 0.333 8.579 8.240 0.011 0.000 0.503 418 I N -0.668 119.920 120.570 0.030 0.000 2.416 418 I HA 0.434 4.715 4.170 0.047 -0.082 0.288 418 I C -1.941 174.193 176.117 0.028 0.000 1.051 418 I CA -2.996 58.325 61.300 0.036 0.000 1.375 418 I CB -0.208 37.814 38.000 0.036 0.000 1.407 418 I HN -0.345 7.880 8.210 0.026 0.000 0.516 419 P HA 0.328 4.987 4.420 0.048 -0.210 0.294 419 P C -1.581 175.749 177.300 0.050 0.000 1.294 419 P CA -1.158 61.967 63.100 0.041 0.000 0.827 419 P CB 1.494 33.214 31.700 0.033 0.000 0.992 420 T N -0.240 114.358 114.554 0.073 0.000 2.948 420 T HA 0.126 4.515 4.350 0.065 0.000 0.285 420 T C -0.764 173.997 174.700 0.103 0.000 1.019 420 T CA -1.996 60.157 62.100 0.089 0.000 1.013 420 T CB 2.770 71.714 68.868 0.126 0.000 1.117 420 T HN -0.019 8.270 8.240 0.082 0.000 0.533 421 K N 2.242 122.703 120.400 0.102 0.000 2.589 421 K HA 0.216 4.693 4.320 0.086 -0.106 0.253 421 K C -1.968 174.693 176.600 0.102 0.000 0.974 421 K CA -0.417 55.919 56.287 0.082 0.000 0.835 421 K CB 1.690 34.220 32.500 0.050 0.000 1.272 421 K HN 0.124 8.432 8.250 0.097 0.000 0.444 422 H N 5.406 124.356 119.070 -0.200 0.000 3.085 422 H HA 0.269 4.714 4.556 -0.185 0.000 0.356 422 H C -2.727 172.128 175.328 -0.789 0.000 1.178 422 H CA -0.200 55.654 56.048 -0.323 0.000 1.214 422 H CB 3.840 33.557 29.762 -0.076 0.000 1.881 422 H HN 0.077 8.286 8.280 -0.118 0.000 0.538 423 S N 4.304 119.484 115.700 -0.867 0.000 2.454 423 S HA 0.323 4.340 4.470 -0.755 0.000 0.306 423 S C -1.508 172.693 174.600 -0.663 0.000 1.100 423 S CA -1.005 56.764 58.200 -0.718 0.000 1.087 423 S CB 1.326 64.321 63.200 -0.342 0.000 1.019 423 S HN 0.405 8.388 8.310 -0.545 0.000 0.480 424 Q N 8.373 127.970 119.800 -0.339 0.000 2.274 424 Q HA 0.331 4.551 4.340 -0.201 0.000 0.268 424 Q C -2.492 173.484 176.000 -0.039 0.000 1.015 424 Q CA -0.963 54.785 55.803 -0.092 0.000 0.775 424 Q CB 3.913 32.810 28.738 0.267 0.000 1.256 424 Q HN 0.565 8.634 8.270 -0.336 0.000 0.442 425 V N 6.401 126.198 119.914 -0.195 0.000 2.509 425 V HA 0.077 4.287 4.120 0.018 -0.079 0.284 425 V C -2.037 173.895 176.094 -0.271 0.000 1.047 425 V CA -0.626 61.601 62.300 -0.122 0.000 0.952 425 V CB 1.338 33.096 31.823 -0.109 0.000 0.988 425 V HN 0.326 8.388 8.190 -0.214 0.000 0.469 426 F N 7.622 127.630 119.950 0.096 0.000 2.664 426 F HA 0.411 5.053 4.527 0.192 0.000 0.329 426 F C -1.496 174.349 175.800 0.075 0.000 1.090 426 F CA -1.525 56.545 58.000 0.117 0.000 0.978 426 F CB 5.056 44.110 39.000 0.090 0.000 1.378 426 F HN 0.513 8.935 8.300 0.203 0.000 0.495 427 S N -2.790 113.109 115.700 0.330 0.000 2.819 427 S HA 0.316 4.867 4.470 0.136 0.000 0.299 427 S C -1.775 172.921 174.600 0.161 0.000 1.192 427 S CA -0.890 57.418 58.200 0.180 0.000 0.847 427 S CB 2.125 65.403 63.200 0.129 0.000 1.224 427 S HN 0.463 9.065 8.310 0.487 0.000 0.537 428 T N -4.965 109.648 114.554 0.099 0.000 2.916 428 T HA 0.218 4.775 4.350 0.090 -0.153 0.292 428 T C -0.180 174.570 174.700 0.082 0.000 1.064 428 T CA -1.308 60.835 62.100 0.073 0.000 1.011 428 T CB 3.676 72.549 68.868 0.008 0.000 1.152 428 T HN -0.175 8.114 8.240 0.080 0.000 0.510 429 A N -0.412 122.470 122.820 0.103 0.000 2.147 429 A HA 0.121 4.502 4.320 0.101 0.000 0.211 429 A C -1.884 175.773 177.584 0.122 0.000 1.160 429 A CA 0.969 53.081 52.037 0.125 0.000 0.781 429 A CB 0.682 19.781 19.000 0.165 0.000 0.842 429 A HN 0.394 8.609 8.150 0.107 0.000 0.475 430 E N -2.972 117.276 120.200 0.079 0.000 2.304 430 E HA 0.092 4.473 4.350 0.051 0.000 0.277 430 E C -2.210 174.352 176.600 -0.063 0.000 0.898 430 E CA -1.212 55.208 56.400 0.034 0.000 0.764 430 E CB 2.395 32.168 29.700 0.122 0.000 1.216 430 E HN -0.418 7.912 8.360 0.031 0.049 0.419 431 D N 4.322 124.706 120.400 -0.028 0.000 4.201 431 D HA -0.309 4.322 4.640 -0.015 0.000 0.238 431 D C -0.704 175.578 176.300 -0.030 0.000 1.070 431 D CA 1.408 55.387 54.000 -0.035 0.000 1.208 431 D CB -0.739 40.025 40.800 -0.060 0.000 0.825 431 D HN 0.456 8.862 8.370 0.002 -0.036 0.404 432 N N 1.441 120.138 118.700 -0.005 0.000 2.178 432 N HA -0.181 4.565 4.740 0.009 0.000 0.189 432 N C 1.075 176.589 175.510 0.006 0.000 1.048 432 N CA 2.080 55.135 53.050 0.007 0.000 0.855 432 N CB 1.365 39.863 38.487 0.018 0.000 1.028 432 N HN -0.011 8.345 8.380 0.000 0.024 0.441 433 Q N -0.427 119.377 119.800 0.006 0.000 2.963 433 Q HA 0.133 4.478 4.340 0.009 0.000 0.262 433 Q C -1.463 174.537 176.000 0.001 0.000 1.318 433 Q CA 0.163 55.970 55.803 0.006 0.000 1.089 433 Q CB -0.853 27.890 28.738 0.007 0.000 1.424 433 Q HN -0.415 7.859 8.270 0.006 0.000 0.560 434 S N -0.302 115.396 115.700 -0.003 0.000 2.348 434 S HA 0.018 4.587 4.470 -0.001 -0.100 0.276 434 S C -1.924 172.672 174.600 -0.008 0.000 1.027 434 S CA 0.633 58.830 58.200 -0.005 0.000 1.386 434 S CB 1.908 65.103 63.200 -0.007 0.000 1.122 434 S HN -0.274 7.983 8.310 -0.005 0.050 0.573 435 A N 0.959 123.770 122.820 -0.015 0.000 2.512 435 A HA 0.501 5.075 4.320 -0.001 -0.255 0.290 435 A C -2.061 175.510 177.584 -0.020 0.000 1.041 435 A CA 0.145 52.174 52.037 -0.014 0.000 0.911 435 A CB 1.937 20.927 19.000 -0.018 0.000 1.407 435 A HN -0.820 7.321 8.150 -0.016 0.000 0.398 436 V N 3.998 123.911 119.914 -0.003 0.000 2.532 436 V HA 0.292 4.401 4.120 -0.020 0.000 0.295 436 V C -0.459 175.639 176.094 0.007 0.000 1.041 436 V CA -2.191 60.106 62.300 -0.004 0.000 0.926 436 V CB 2.122 33.951 31.823 0.010 0.000 0.992 436 V HN 0.515 8.597 8.190 0.007 0.113 0.457 437 T N 7.126 121.680 114.554 -0.001 0.000 2.767 437 T HA 0.165 4.647 4.350 0.042 -0.106 0.288 437 T C 0.123 174.844 174.700 0.034 0.000 0.963 437 T CA 0.213 62.327 62.100 0.024 0.000 1.019 437 T CB 0.599 69.476 68.868 0.016 0.000 0.923 437 T HN 0.355 8.583 8.240 -0.020 0.000 0.468 438 I N 6.536 127.150 120.570 0.073 0.000 3.261 438 I HA 0.180 4.377 4.170 0.046 0.000 0.341 438 I C -1.275 174.892 176.117 0.084 0.000 1.355 438 I CA -2.305 59.045 61.300 0.084 0.000 1.070 438 I CB -2.419 35.656 38.000 0.126 0.000 1.742 438 I HN 0.628 8.767 8.210 0.092 0.126 0.498 439 H N 5.362 124.391 119.070 -0.068 0.000 2.872 439 H HA 0.118 4.662 4.556 -0.167 -0.088 0.273 439 H C -1.254 174.014 175.328 -0.100 0.000 1.205 439 H CA -1.654 54.322 56.048 -0.121 0.000 1.342 439 H CB -0.293 29.387 29.762 -0.137 0.000 1.469 439 H HN -0.691 7.573 8.280 0.111 0.083 0.487 440 V N 7.416 127.383 119.914 0.089 0.000 2.498 440 V HA 0.097 4.415 4.120 0.008 -0.193 0.279 440 V C -1.789 174.344 176.094 0.065 0.000 1.048 440 V CA -1.389 60.934 62.300 0.038 0.000 0.967 440 V CB -0.027 31.799 31.823 0.005 0.000 0.988 440 V HN -0.151 8.038 8.190 -0.001 0.000 0.473 441 L N 6.584 127.816 121.223 0.015 0.000 2.294 441 L HA 0.370 4.879 4.340 0.052 -0.138 0.283 441 L C -1.413 175.443 176.870 -0.023 0.000 1.015 441 L CA -1.425 53.419 54.840 0.007 0.000 0.831 441 L CB 2.172 44.203 42.059 -0.046 0.000 1.217 441 L HN 0.117 8.255 8.230 -0.030 0.075 0.420 442 Q N 6.732 126.525 119.800 -0.011 0.000 2.441 442 Q HA 0.342 4.875 4.340 -0.027 -0.209 0.234 442 Q C -1.184 174.805 176.000 -0.018 0.000 1.078 442 Q CA -1.009 54.783 55.803 -0.018 0.000 0.907 442 Q CB 0.624 29.355 28.738 -0.012 0.000 1.269 442 Q HN 0.007 8.280 8.270 0.004 0.000 0.502 443 G N 4.859 113.645 108.800 -0.023 0.000 3.008 443 G HA2 0.100 4.050 3.960 -0.016 0.000 0.148 443 G HA3 0.100 4.096 3.960 -0.024 -0.050 0.148 443 G C -2.116 172.772 174.900 -0.021 0.000 1.184 443 G CA 0.107 45.194 45.100 -0.021 0.000 1.087 443 G HN -0.486 7.786 8.290 -0.029 0.000 0.602 444 E N 0.526 120.713 120.200 -0.021 0.000 2.205 444 E HA 0.117 4.458 4.350 -0.015 0.000 0.219 444 E C -0.918 175.671 176.600 -0.019 0.000 0.948 444 E CA 0.657 57.047 56.400 -0.017 0.000 0.993 444 E CB 1.942 31.634 29.700 -0.015 0.000 1.441 444 E HN -0.526 8.016 8.360 -0.023 -0.196 0.511 445 R N -4.170 116.317 120.500 -0.020 0.000 3.342 445 R HA 0.048 4.374 4.340 -0.022 0.000 0.093 445 R C -0.205 176.081 176.300 -0.023 0.000 0.672 445 R CA 0.620 56.708 56.100 -0.020 0.000 0.495 445 R CB 1.271 31.563 30.300 -0.013 0.000 0.508 445 R HN -0.643 7.815 8.270 -0.020 -0.200 0.335 446 K N 0.237 120.626 120.400 -0.018 0.000 2.044 446 K HA -0.168 4.139 4.320 -0.022 0.000 0.204 446 K C 0.223 176.811 176.600 -0.021 0.000 1.045 446 K CA 1.788 58.063 56.287 -0.019 0.000 0.951 446 K CB -0.075 32.417 32.500 -0.014 0.000 0.738 446 K HN 0.228 8.469 8.250 -0.014 0.000 0.443 447 R N -0.282 120.207 120.500 -0.018 0.000 2.402 447 R HA -0.143 4.186 4.340 -0.018 0.000 0.331 447 R C -0.915 175.372 176.300 -0.023 0.000 1.040 447 R CA -0.058 56.031 56.100 -0.018 0.000 0.980 447 R CB -0.573 29.719 30.300 -0.014 0.000 0.967 447 R HN -0.287 7.973 8.270 -0.016 0.000 0.440 448 A N 5.863 128.666 122.820 -0.028 0.000 2.805 448 A HA 0.090 4.586 4.320 -0.038 -0.199 0.301 448 A C -1.444 176.121 177.584 -0.033 0.000 1.557 448 A CA -0.309 51.706 52.037 -0.037 0.000 1.254 448 A CB -0.404 18.566 19.000 -0.049 0.000 1.114 448 A HN 0.348 8.482 8.150 -0.026 0.000 0.553 449 A N 0.978 123.782 122.820 -0.028 0.000 2.610 449 A HA 0.344 4.649 4.320 -0.025 0.000 0.291 449 A C -1.542 176.027 177.584 -0.024 0.000 1.116 449 A CA -0.087 51.936 52.037 -0.023 0.000 0.963 449 A CB 1.083 20.073 19.000 -0.017 0.000 1.220 449 A HN -0.277 7.819 8.150 -0.027 0.037 0.530 450 D N -1.644 118.738 120.400 -0.031 0.000 2.889 450 D HA 0.028 4.654 4.640 -0.023 0.000 0.243 450 D C -0.848 175.433 176.300 -0.032 0.000 1.270 450 D CA -0.044 53.938 54.000 -0.030 0.000 0.838 450 D CB -0.707 40.071 40.800 -0.036 0.000 1.040 450 D HN 0.002 8.201 8.370 -0.036 0.149 0.480 451 N N -0.364 118.320 118.700 -0.026 0.000 2.920 451 N HA 0.038 4.764 4.740 -0.023 0.000 0.310 451 N C -1.257 174.256 175.510 0.004 0.000 1.384 451 N CA -0.936 52.105 53.050 -0.015 0.000 1.083 451 N CB -1.131 37.343 38.487 -0.020 0.000 1.389 451 N HN 0.109 8.352 8.380 -0.026 0.121 0.521 452 K N 1.779 122.178 120.400 -0.001 0.000 2.339 452 K HA -0.039 4.278 4.320 -0.004 0.000 0.286 452 K C -0.683 175.921 176.600 0.006 0.000 1.050 452 K CA -0.615 55.671 56.287 -0.002 0.000 0.956 452 K CB 0.228 32.724 32.500 -0.007 0.000 0.990 452 K HN -0.715 7.454 8.250 -0.009 0.076 0.475 453 S N 5.113 120.809 115.700 -0.007 0.000 2.488 453 S HA -0.140 4.325 4.470 -0.008 0.000 0.278 453 S C -0.818 173.757 174.600 -0.042 0.000 1.259 453 S CA 1.391 59.570 58.200 -0.035 0.000 1.061 453 S CB 0.381 63.534 63.200 -0.079 0.000 0.910 453 S HN 0.439 8.742 8.310 -0.012 0.000 0.491 454 L N 4.807 126.004 121.223 -0.044 0.000 3.347 454 L HA 0.308 4.635 4.340 -0.021 0.000 0.306 454 L C -1.231 175.602 176.870 -0.062 0.000 1.301 454 L CA -0.801 54.023 54.840 -0.028 0.000 0.985 454 L CB 1.711 43.766 42.059 -0.006 0.000 1.400 454 L HN -0.175 8.025 8.230 -0.050 0.000 0.601 455 G N -1.759 106.922 108.800 -0.198 0.000 2.353 455 G HA2 -0.113 3.621 3.960 -0.377 0.000 0.424 455 G HA3 -0.113 3.720 3.960 -0.212 0.000 0.424 455 G C -2.598 171.785 174.900 -0.861 0.000 1.320 455 G CA -0.099 44.769 45.100 -0.387 0.000 0.995 455 G HN -0.547 7.524 8.290 -0.195 0.101 0.580 456 Q N -0.370 118.764 119.800 -1.110 0.000 4.095 456 Q HA 0.072 3.926 4.340 -0.810 0.000 0.145 456 Q C -2.159 173.274 176.000 -0.945 0.000 0.849 456 Q CA -0.188 55.000 55.803 -1.025 0.000 0.832 456 Q CB 0.408 28.570 28.738 -0.961 0.000 1.511 456 Q HN 0.092 7.512 8.270 -1.416 0.000 0.477 457 F N 0.966 120.866 119.950 -0.083 0.000 2.849 457 F HA 0.378 4.879 4.527 -0.043 0.000 0.341 457 F C -1.647 174.144 175.800 -0.015 0.000 1.185 457 F CA -2.260 55.714 58.000 -0.043 0.000 1.007 457 F CB 4.198 43.172 39.000 -0.042 0.000 1.454 457 F HN -0.412 7.655 8.300 -0.175 0.127 0.518 458 N N -1.546 117.279 118.700 0.207 0.000 2.406 458 N HA 0.226 5.216 4.740 0.090 -0.197 0.283 458 N C -1.723 173.828 175.510 0.068 0.000 1.074 458 N CA -0.207 52.905 53.050 0.102 0.000 0.916 458 N CB 2.898 41.426 38.487 0.069 0.000 1.639 458 N HN -0.012 8.524 8.380 0.260 0.000 0.485 459 L N 3.067 124.317 121.223 0.045 0.000 2.312 459 L HA 0.269 4.619 4.340 0.016 0.000 0.287 459 L C -1.722 175.158 176.870 0.016 0.000 1.091 459 L CA -0.436 54.418 54.840 0.023 0.000 0.846 459 L CB 0.674 42.745 42.059 0.019 0.000 1.219 459 L HN 0.569 8.826 8.230 0.046 0.000 0.439 460 D N 3.878 124.286 120.400 0.014 0.000 2.269 460 D HA 0.355 5.173 4.640 0.007 -0.173 0.244 460 D C 0.121 176.424 176.300 0.006 0.000 0.992 460 D CA -1.736 52.270 54.000 0.010 0.000 0.894 460 D CB 1.805 42.614 40.800 0.015 0.000 1.248 460 D HN -0.394 7.985 8.370 0.014 0.000 0.468 461 G N 0.610 109.412 108.800 0.004 0.000 2.643 461 G HA2 -0.388 3.573 3.960 0.003 0.000 0.280 461 G HA3 -0.388 3.574 3.960 0.003 0.000 0.280 461 G C -1.379 173.523 174.900 0.002 0.000 1.120 461 G CA 0.436 45.538 45.100 0.003 0.000 1.165 461 G HN 0.512 8.695 8.290 0.003 0.109 0.540 462 I N -1.453 119.118 120.570 0.002 0.000 3.010 462 I HA 0.096 4.268 4.170 0.002 0.000 0.330 462 I C -1.385 174.734 176.117 0.003 0.000 1.334 462 I CA -1.717 59.584 61.300 0.003 0.000 0.945 462 I CB 0.134 38.137 38.000 0.005 0.000 2.027 462 I HN -0.642 7.569 8.210 0.002 0.000 0.564 463 N N -1.557 117.144 118.700 0.002 0.000 5.411 463 N HA -0.140 4.601 4.740 0.002 0.000 0.369 463 N C -2.382 173.129 175.510 0.002 0.000 1.223 463 N CA 0.788 53.839 53.050 0.002 0.000 2.614 463 N CB -0.058 38.430 38.487 0.002 0.000 0.550 463 N HN -0.431 7.885 8.380 0.002 0.065 0.736 464 P HA 0.066 4.488 4.420 0.003 0.000 0.288 464 P C -1.690 175.612 177.300 0.003 0.000 1.363 464 P CA 0.042 63.143 63.100 0.003 0.000 0.837 464 P CB -0.198 31.504 31.700 0.003 0.000 0.981 465 A N 4.974 127.797 122.820 0.004 0.000 3.005 465 A HA 0.408 4.731 4.320 0.005 0.000 0.308 465 A C -3.190 174.398 177.584 0.006 0.000 1.173 465 A CA -1.824 50.216 52.037 0.005 0.000 0.796 465 A CB 1.432 20.435 19.000 0.005 0.000 1.325 465 A HN -0.121 8.031 8.150 0.003 0.000 0.467 466 P HA 0.228 4.726 4.420 0.003 -0.076 0.290 466 P C -1.367 175.941 177.300 0.013 0.000 1.283 466 P CA -1.181 61.923 63.100 0.007 0.000 0.869 466 P CB 2.049 33.753 31.700 0.007 0.000 1.100 467 R N 0.752 121.262 120.500 0.015 0.000 1.756 467 R HA -0.513 3.847 4.340 0.033 0.000 0.379 467 R C -0.533 175.784 176.300 0.028 0.000 1.251 467 R CA 0.825 56.941 56.100 0.027 0.000 1.119 467 R CB -0.617 29.702 30.300 0.032 0.000 3.262 467 R HN 0.057 8.399 8.270 0.007 -0.068 0.487 468 G N 3.930 112.751 108.800 0.035 0.000 3.000 468 G HA2 -0.250 3.735 3.960 0.043 0.000 0.686 468 G HA3 -0.250 3.728 3.960 0.031 0.000 0.686 468 G C -2.019 172.894 174.900 0.022 0.000 1.114 468 G CA 0.170 45.290 45.100 0.033 0.000 0.902 468 G HN -0.022 8.293 8.290 0.042 0.000 0.564 469 M N 1.122 120.733 119.600 0.018 0.000 2.199 469 M HA 0.251 4.735 4.480 0.006 0.000 0.191 469 M C -1.791 174.505 176.300 -0.006 0.000 1.744 469 M CA 0.333 55.638 55.300 0.007 0.000 1.005 469 M CB -0.689 31.916 32.600 0.010 0.000 1.478 469 M HN 0.205 8.509 8.290 0.024 0.000 0.585 470 P HA 0.337 4.767 4.420 0.016 0.000 0.217 470 P C -2.218 175.069 177.300 -0.021 0.000 1.793 470 P CA -0.021 63.074 63.100 -0.009 0.000 1.236 470 P CB 0.289 31.971 31.700 -0.030 0.000 1.614 471 Q N 1.773 121.571 119.800 -0.003 0.000 2.719 471 Q HA 0.228 4.553 4.340 -0.026 0.000 0.376 471 Q C -1.353 174.653 176.000 0.010 0.000 0.856 471 Q CA -0.313 55.484 55.803 -0.009 0.000 1.038 471 Q CB 0.949 29.678 28.738 -0.015 0.000 1.418 471 Q HN 0.214 8.488 8.270 0.006 0.000 0.395 472 I N 2.069 122.659 120.570 0.034 0.000 2.428 472 I HA 0.316 4.592 4.170 0.031 -0.088 0.279 472 I C -1.800 174.356 176.117 0.065 0.000 1.040 472 I CA -0.752 60.578 61.300 0.050 0.000 1.171 472 I CB 0.851 38.894 38.000 0.072 0.000 1.312 472 I HN -0.219 8.018 8.210 0.045 0.000 0.470 473 E N 7.545 127.764 120.200 0.031 0.000 2.289 473 E HA 0.268 4.634 4.350 0.026 0.000 0.278 473 E C -1.591 175.037 176.600 0.048 0.000 1.032 473 E CA -1.072 55.341 56.400 0.021 0.000 0.854 473 E CB 0.988 30.675 29.700 -0.021 0.000 1.046 473 E HN 0.168 8.538 8.360 0.017 0.000 0.409 474 V N 6.470 126.439 119.914 0.092 0.000 2.376 474 V HA 0.394 4.728 4.120 0.088 -0.161 0.287 474 V C -0.699 175.436 176.094 0.069 0.000 1.015 474 V CA -1.120 61.262 62.300 0.137 0.000 0.834 474 V CB 1.599 33.587 31.823 0.274 0.000 1.001 474 V HN -0.024 8.219 8.190 0.087 0.000 0.428 475 T N 8.167 122.711 114.554 -0.017 0.000 2.823 475 T HA 0.579 4.752 4.350 -0.490 -0.118 0.279 475 T C -1.181 173.475 174.700 -0.073 0.000 0.998 475 T CA -1.606 60.372 62.100 -0.204 0.000 0.994 475 T CB 1.427 70.200 68.868 -0.157 0.000 0.960 475 T HN 0.139 8.386 8.240 0.010 0.000 0.448 476 F N 0.744 120.710 119.950 0.027 0.000 2.577 476 F HA 0.478 5.016 4.527 0.018 0.000 0.344 476 F C -2.313 173.539 175.800 0.087 0.000 1.145 476 F CA -2.439 55.589 58.000 0.048 0.000 0.996 476 F CB 1.704 40.740 39.000 0.061 0.000 1.248 476 F HN 0.849 8.479 8.300 -1.117 0.000 0.447 477 D N 4.460 124.983 120.400 0.205 0.000 2.344 477 D HA 0.345 5.220 4.640 0.170 -0.133 0.239 477 D C -1.771 174.654 176.300 0.208 0.000 1.064 477 D CA -1.049 53.063 54.000 0.186 0.000 0.829 477 D CB 3.111 44.011 40.800 0.166 0.000 1.129 477 D HN 0.037 8.524 8.370 0.196 0.000 0.506 478 I N 4.992 125.668 120.570 0.177 0.000 2.566 478 I HA 0.445 4.891 4.170 0.152 -0.185 0.303 478 I C -0.968 175.208 176.117 0.098 0.000 0.983 478 I CA -1.559 59.824 61.300 0.139 0.000 1.235 478 I CB 2.937 41.008 38.000 0.120 0.000 1.386 478 I HN -0.029 8.183 8.210 0.172 0.102 0.494 479 D N 6.301 126.745 120.400 0.074 0.000 2.506 479 D HA 0.201 4.865 4.640 0.039 0.000 0.272 479 D C 0.662 176.984 176.300 0.036 0.000 1.214 479 D CA 0.219 54.244 54.000 0.042 0.000 1.067 479 D CB 0.888 41.700 40.800 0.020 0.000 1.117 479 D HN -0.348 8.070 8.370 0.080 0.000 0.578 480 A N -1.182 121.652 122.820 0.023 0.000 2.123 480 A HA -0.076 4.259 4.320 0.025 0.000 0.214 480 A C 0.225 177.820 177.584 0.018 0.000 1.152 480 A CA 2.072 54.122 52.037 0.021 0.000 0.728 480 A CB -0.557 18.451 19.000 0.014 0.000 0.814 480 A HN 0.342 8.502 8.150 0.016 0.000 0.464 481 D N -2.880 117.529 120.400 0.016 0.000 2.183 481 D HA -0.061 4.586 4.640 0.012 0.000 0.205 481 D C 0.217 176.528 176.300 0.019 0.000 0.962 481 D CA 0.334 54.343 54.000 0.014 0.000 0.849 481 D CB 0.297 41.103 40.800 0.010 0.000 0.978 481 D HN -0.159 8.180 8.370 0.015 0.040 0.488 482 G N -1.955 106.861 108.800 0.026 0.000 2.445 482 G HA2 -0.188 3.794 3.960 0.036 0.000 0.233 482 G HA3 -0.188 3.787 3.960 0.026 0.000 0.233 482 G C -2.390 172.533 174.900 0.037 0.000 1.308 482 G CA -0.691 44.427 45.100 0.031 0.000 1.179 482 G HN -0.464 7.842 8.290 0.027 0.000 0.637 483 I N 2.140 122.741 120.570 0.051 0.000 2.610 483 I HA 0.297 4.617 4.170 0.056 -0.116 0.289 483 I C -2.555 173.620 176.117 0.096 0.000 1.163 483 I CA -0.674 60.664 61.300 0.063 0.000 1.044 483 I CB 3.930 41.962 38.000 0.053 0.000 1.251 483 I HN -0.411 7.832 8.210 0.055 0.000 0.424 484 L N 9.485 130.767 121.223 0.099 0.000 2.363 484 L HA 0.248 4.674 4.340 0.142 0.000 0.286 484 L C -1.866 175.102 176.870 0.164 0.000 1.106 484 L CA -0.638 54.277 54.840 0.124 0.000 0.859 484 L CB 0.425 42.536 42.059 0.087 0.000 1.223 484 L HN 0.747 8.924 8.230 0.079 0.100 0.446 485 H N 9.694 128.810 119.070 0.076 0.000 2.982 485 H HA 0.403 5.205 4.556 0.053 -0.213 0.261 485 H C -1.375 174.008 175.328 0.092 0.000 1.603 485 H CA -1.386 54.702 56.048 0.066 0.000 1.398 485 H CB -0.622 29.170 29.762 0.050 0.000 1.693 485 H HN 0.227 8.657 8.280 0.251 0.000 0.535 486 V N 8.841 128.704 119.914 -0.085 0.000 2.370 486 V HA 0.735 5.039 4.120 -0.000 -0.184 0.283 486 V C -2.394 173.616 176.094 -0.140 0.000 1.023 486 V CA -2.684 59.595 62.300 -0.036 0.000 0.857 486 V CB 3.445 35.332 31.823 0.106 0.000 0.985 486 V HN -0.242 7.907 8.190 -0.035 0.020 0.443 487 S N 9.131 124.745 115.700 -0.144 0.000 2.520 487 S HA 0.509 5.120 4.470 -0.128 -0.218 0.324 487 S C -0.730 173.853 174.600 -0.029 0.000 1.069 487 S CA -2.512 55.614 58.200 -0.124 0.000 1.121 487 S CB 0.869 63.976 63.200 -0.156 0.000 0.971 487 S HN 0.575 8.830 8.310 -0.093 0.000 0.463 488 A N 6.033 128.850 122.820 -0.005 0.000 2.457 488 A HA -0.008 4.344 4.320 0.055 0.000 0.298 488 A C -1.780 175.812 177.584 0.013 0.000 1.288 488 A CA -0.133 51.921 52.037 0.028 0.000 0.956 488 A CB 0.064 19.085 19.000 0.035 0.000 1.135 488 A HN 0.222 8.358 8.150 -0.023 0.000 0.535 489 K N 5.326 125.735 120.400 0.016 0.000 2.240 489 K HA 0.216 4.536 4.320 -0.000 0.000 0.271 489 K C -2.179 174.429 176.600 0.014 0.000 1.018 489 K CA -1.716 54.574 56.287 0.005 0.000 0.874 489 K CB 1.827 34.324 32.500 -0.005 0.000 1.098 489 K HN -0.100 8.166 8.250 0.026 0.000 0.458 490 D N 6.414 126.820 120.400 0.011 0.000 2.181 490 D HA 0.171 4.823 4.640 0.021 0.000 0.248 490 D C -0.587 175.717 176.300 0.006 0.000 1.020 490 D CA -0.304 53.704 54.000 0.013 0.000 0.891 490 D CB 2.659 43.466 40.800 0.012 0.000 1.187 490 D HN -0.183 8.190 8.370 0.007 0.000 0.443 491 K N 1.731 122.135 120.400 0.006 0.000 2.969 491 K HA 0.100 4.419 4.320 -0.002 0.000 0.222 491 K C -1.072 175.528 176.600 -0.000 0.000 1.172 491 K CA -0.524 55.763 56.287 -0.000 0.000 1.192 491 K CB -0.596 31.902 32.500 -0.004 0.000 1.111 491 K HN -0.106 8.150 8.250 0.011 0.000 0.457 492 N N -1.937 116.764 118.700 0.002 0.000 2.499 492 N HA -0.071 4.669 4.740 0.000 0.000 0.182 492 N C -0.030 175.480 175.510 -0.000 0.000 1.034 492 N CA 1.948 54.998 53.050 0.001 0.000 0.882 492 N CB 0.649 39.138 38.487 0.003 0.000 1.125 492 N HN 0.034 8.295 8.380 0.003 0.121 0.436 493 S N -3.541 112.159 115.700 0.000 0.000 2.927 493 S HA 0.101 4.570 4.470 -0.001 0.000 0.246 493 S C -0.690 173.909 174.600 -0.001 0.000 0.907 493 S CA -0.074 58.125 58.200 -0.001 0.000 1.326 493 S CB 1.852 65.052 63.200 -0.001 0.000 1.216 493 S HN -0.460 7.851 8.310 0.001 0.000 0.652 494 G N 1.137 109.937 108.800 -0.001 0.000 2.171 494 G HA2 -0.352 3.710 3.960 -0.001 0.000 0.238 494 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.238 494 G C -0.368 174.531 174.900 -0.001 0.000 1.039 494 G CA 0.338 45.437 45.100 -0.001 0.000 0.759 494 G HN -0.313 7.977 8.290 0.000 0.000 0.501 495 K N 1.085 121.485 120.400 0.000 0.000 2.278 495 K HA -0.056 4.263 4.320 -0.002 0.000 0.289 495 K C -0.706 175.893 176.600 -0.001 0.000 1.080 495 K CA -0.761 55.526 56.287 -0.001 0.000 0.934 495 K CB -1.027 31.474 32.500 0.001 0.000 1.093 495 K HN -0.485 7.766 8.250 0.001 0.000 0.459 496 E N 2.958 123.155 120.200 -0.005 0.000 2.320 496 E HA 0.834 5.407 4.350 -0.005 -0.226 0.264 496 E C -0.760 175.831 176.600 -0.016 0.000 0.923 496 E CA -2.336 54.058 56.400 -0.009 0.000 0.796 496 E CB 3.445 33.137 29.700 -0.012 0.000 1.262 496 E HN -0.196 8.161 8.360 -0.005 0.000 0.428 497 Q N -0.212 119.574 119.800 -0.024 0.000 2.269 497 Q HA 0.251 4.571 4.340 -0.033 0.000 0.263 497 Q C -1.300 174.667 176.000 -0.056 0.000 0.983 497 Q CA -0.874 54.907 55.803 -0.035 0.000 0.777 497 Q CB 3.465 32.182 28.738 -0.035 0.000 1.273 497 Q HN -0.014 8.242 8.270 -0.024 0.000 0.440 498 K N 4.600 124.961 120.400 -0.065 0.000 2.268 498 K HA 0.336 4.751 4.320 -0.188 -0.208 0.276 498 K C -0.209 176.354 176.600 -0.063 0.000 1.080 498 K CA -0.631 55.580 56.287 -0.128 0.000 0.910 498 K CB -0.379 32.039 32.500 -0.135 0.000 1.163 498 K HN 0.243 8.469 8.250 -0.040 0.000 0.465 499 I N 1.396 121.932 120.570 -0.058 0.000 2.612 499 I HA 0.316 4.473 4.170 -0.020 0.000 0.295 499 I C -1.048 175.104 176.117 0.059 0.000 1.011 499 I CA -0.940 60.355 61.300 -0.008 0.000 1.326 499 I CB 1.415 39.417 38.000 0.004 0.000 1.427 499 I HN 0.144 8.306 8.210 -0.081 0.000 0.537 500 T N 0.875 115.477 114.554 0.081 0.000 3.150 500 T HA 0.278 4.907 4.350 0.159 -0.183 0.383 500 T C -1.203 173.546 174.700 0.081 0.000 1.313 500 T CA -1.483 60.689 62.100 0.120 0.000 1.235 500 T CB -0.345 68.597 68.868 0.124 0.000 1.088 500 T HN -0.095 8.170 8.240 0.040 0.000 0.556 501 I N 4.508 125.128 120.570 0.083 0.000 2.493 501 I HA 0.305 4.519 4.170 0.074 0.000 0.298 501 I C -1.402 174.750 176.117 0.058 0.000 0.998 501 I CA -2.136 59.209 61.300 0.075 0.000 1.137 501 I CB 3.456 41.512 38.000 0.092 0.000 1.310 501 I HN -0.206 8.060 8.210 0.092 0.000 0.445 502 K N 7.251 127.679 120.400 0.046 0.000 2.159 502 K HA -0.081 4.261 4.320 0.036 0.000 0.242 502 K C -0.569 176.047 176.600 0.028 0.000 1.043 502 K CA 1.380 57.688 56.287 0.034 0.000 0.856 502 K CB 0.522 33.038 32.500 0.026 0.000 1.072 502 K HN 0.476 8.755 8.250 0.049 0.000 0.514 503 A N -3.184 119.649 122.820 0.022 0.000 2.683 503 A HA 0.253 4.580 4.320 0.011 0.000 0.207 503 A C -1.292 176.299 177.584 0.013 0.000 0.945 503 A CA -0.213 51.834 52.037 0.017 0.000 1.233 503 A CB 0.989 20.002 19.000 0.022 0.000 1.227 503 A HN 0.465 8.628 8.150 0.022 0.000 0.470 504 S N 0.189 115.896 115.700 0.011 0.000 2.564 504 S HA 0.040 4.516 4.470 0.011 0.000 0.278 504 S C 0.120 174.723 174.600 0.005 0.000 1.333 504 S CA -1.121 57.084 58.200 0.009 0.000 1.048 504 S CB 0.872 64.076 63.200 0.008 0.000 0.900 504 S HN -0.266 8.051 8.310 0.012 0.000 0.505 505 S N 3.965 119.668 115.700 0.005 0.000 2.206 505 S HA 0.103 4.574 4.470 0.002 0.000 0.233 505 S C -0.030 174.571 174.600 0.002 0.000 1.255 505 S CA 0.090 58.292 58.200 0.003 0.000 1.010 505 S CB 0.876 64.078 63.200 0.003 0.000 0.970 505 S HN -0.013 8.301 8.310 0.007 0.000 0.437 506 G N -1.406 107.395 108.800 0.001 0.000 2.467 506 G HA2 -0.106 3.855 3.960 0.000 0.000 0.242 506 G HA3 -0.106 3.855 3.960 0.001 0.000 0.242 506 G C -1.371 173.528 174.900 -0.001 0.000 1.127 506 G CA -0.126 44.974 45.100 0.000 0.000 0.924 506 G HN 0.239 8.530 8.290 0.001 0.000 0.499 507 L N -7.918 113.304 121.223 -0.002 0.000 2.741 507 L HA 0.482 4.821 4.340 -0.003 0.000 0.256 507 L C -2.883 173.986 176.870 -0.003 0.000 1.084 507 L CA -1.076 53.762 54.840 -0.003 0.000 1.021 507 L CB 0.918 42.975 42.059 -0.004 0.000 1.588 507 L HN -0.820 7.410 8.230 -0.001 0.000 0.368 508 N N -1.065 117.633 118.700 -0.004 0.000 2.509 508 N HA 0.316 5.054 4.740 -0.003 0.000 0.280 508 N C 0.450 175.957 175.510 -0.004 0.000 1.306 508 N CA -0.808 52.240 53.050 -0.003 0.000 0.782 508 N CB 2.685 41.170 38.487 -0.003 0.000 1.493 508 N HN 0.062 8.439 8.380 -0.004 0.000 0.498 509 E N -0.796 119.402 120.200 -0.004 0.000 2.274 509 E HA -0.250 4.097 4.350 -0.006 0.000 0.194 509 E C -0.473 176.124 176.600 -0.005 0.000 0.996 509 E CA 2.909 59.306 56.400 -0.005 0.000 0.840 509 E CB 0.041 29.738 29.700 -0.004 0.000 0.772 509 E HN 0.600 8.958 8.360 -0.003 0.000 0.491 510 D N -4.425 115.972 120.400 -0.005 0.000 2.643 510 D HA 0.069 4.877 4.640 -0.006 -0.171 0.244 510 D C -0.382 175.915 176.300 -0.005 0.000 1.257 510 D CA -0.826 53.171 54.000 -0.005 0.000 0.831 510 D CB -0.996 39.801 40.800 -0.004 0.000 1.043 510 D HN 0.242 8.564 8.370 -0.004 0.046 0.488 511 E N 0.377 120.574 120.200 -0.006 0.000 2.166 511 E HA -0.123 4.224 4.350 -0.006 0.000 0.192 511 E C 0.754 177.349 176.600 -0.008 0.000 0.967 511 E CA 0.971 57.367 56.400 -0.006 0.000 0.840 511 E CB 0.628 30.324 29.700 -0.006 0.000 0.795 511 E HN -0.375 7.787 8.360 -0.006 0.194 0.470 512 I N 1.075 121.640 120.570 -0.008 0.000 2.130 512 I HA -0.287 4.048 4.170 -0.012 -0.172 0.234 512 I C 2.600 178.711 176.117 -0.010 0.000 1.067 512 I CA 3.985 65.279 61.300 -0.010 0.000 1.339 512 I CB 0.497 38.490 38.000 -0.011 0.000 1.073 512 I HN -0.531 7.675 8.210 -0.008 0.000 0.405 513 Q N -0.649 119.146 119.800 -0.008 0.000 2.291 513 Q HA -0.380 3.955 4.340 -0.008 0.000 0.206 513 Q C 1.521 177.517 176.000 -0.007 0.000 0.976 513 Q CA 3.188 58.987 55.803 -0.007 0.000 0.875 513 Q CB -0.219 28.515 28.738 -0.006 0.000 0.927 513 Q HN -0.059 8.095 8.270 -0.008 0.111 0.450 514 K N -1.720 118.676 120.400 -0.006 0.000 2.228 514 K HA -0.188 4.129 4.320 -0.005 0.000 0.202 514 K C 1.398 177.994 176.600 -0.006 0.000 1.051 514 K CA 2.604 58.888 56.287 -0.006 0.000 0.960 514 K CB -0.415 32.082 32.500 -0.005 0.000 0.743 514 K HN 0.008 8.068 8.250 -0.007 0.187 0.458 515 M N -1.518 118.077 119.600 -0.008 0.000 2.618 515 M HA -0.164 4.311 4.480 -0.008 0.000 0.240 515 M C 1.818 178.112 176.300 -0.010 0.000 1.123 515 M CA 2.139 57.434 55.300 -0.009 0.000 1.060 515 M CB 0.053 32.646 32.600 -0.011 0.000 1.535 515 M HN -0.194 7.915 8.290 -0.008 0.176 0.507 516 V N 0.246 120.155 119.914 -0.009 0.000 2.488 516 V HA -0.440 3.674 4.120 -0.011 0.000 0.246 516 V C 1.007 177.097 176.094 -0.007 0.000 1.046 516 V CA 3.317 65.612 62.300 -0.009 0.000 1.053 516 V CB -0.244 31.574 31.823 -0.008 0.000 0.679 516 V HN -0.251 7.774 8.190 -0.008 0.161 0.458 517 R N -0.130 120.367 120.500 -0.006 0.000 2.065 517 R HA -0.392 3.945 4.340 -0.004 0.000 0.224 517 R C 1.982 178.280 176.300 -0.004 0.000 1.161 517 R CA 3.773 59.870 56.100 -0.005 0.000 0.923 517 R CB -0.048 30.250 30.300 -0.004 0.000 0.822 517 R HN -0.710 7.475 8.270 -0.006 0.081 0.437 518 D N -1.183 119.215 120.400 -0.004 0.000 2.092 518 D HA -0.236 4.403 4.640 -0.002 0.000 0.193 518 D C 1.658 177.955 176.300 -0.005 0.000 0.994 518 D CA 3.465 57.463 54.000 -0.004 0.000 0.828 518 D CB -0.144 40.653 40.800 -0.004 0.000 0.963 518 D HN -0.400 7.967 8.370 -0.005 0.000 0.450 519 A N -4.065 118.750 122.820 -0.007 0.000 2.267 519 A HA 0.166 4.482 4.320 -0.008 0.000 0.213 519 A C 0.918 178.495 177.584 -0.011 0.000 1.192 519 A CA 1.081 53.112 52.037 -0.010 0.000 0.851 519 A CB 0.064 19.056 19.000 -0.014 0.000 0.881 519 A HN 0.164 8.212 8.150 -0.008 0.098 0.494 520 E N 0.342 120.536 120.200 -0.009 0.000 2.170 520 E HA -0.142 4.200 4.350 -0.014 0.000 0.191 520 E C 1.191 177.788 176.600 -0.006 0.000 0.981 520 E CA 1.704 58.098 56.400 -0.010 0.000 0.830 520 E CB 0.197 29.891 29.700 -0.010 0.000 0.775 520 E HN -0.363 7.786 8.360 -0.008 0.207 0.470 521 A N -1.610 121.208 122.820 -0.004 0.000 2.014 521 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 521 A C 1.130 178.715 177.584 0.003 0.000 1.163 521 A CA 2.887 54.923 52.037 -0.000 0.000 0.652 521 A CB -0.290 18.710 19.000 -0.000 0.000 0.808 521 A HN -0.381 7.758 8.150 -0.005 0.009 0.449 522 N N -1.282 117.419 118.700 0.002 0.000 2.512 522 N HA -0.175 4.573 4.740 0.013 0.000 0.183 522 N C 0.923 176.439 175.510 0.011 0.000 1.073 522 N CA 1.805 54.859 53.050 0.008 0.000 0.911 522 N CB 0.027 38.516 38.487 0.003 0.000 0.964 522 N HN -0.436 7.852 8.380 -0.002 0.091 0.447 523 A N -0.696 122.126 122.820 0.002 0.000 2.216 523 A HA -0.096 4.446 4.320 0.001 -0.222 0.214 523 A C 0.901 178.496 177.584 0.019 0.000 1.160 523 A CA 1.601 53.641 52.037 0.004 0.000 0.725 523 A CB -0.670 18.325 19.000 -0.009 0.000 0.784 523 A HN -0.346 7.638 8.150 -0.003 0.164 0.472 524 E N -1.155 119.057 120.200 0.019 0.000 2.216 524 E HA -0.251 4.109 4.350 0.017 0.000 0.192 524 E C 1.461 178.085 176.600 0.039 0.000 0.988 524 E CA 2.174 58.587 56.400 0.021 0.000 0.834 524 E CB -0.082 29.625 29.700 0.012 0.000 0.772 524 E HN -0.385 7.796 8.360 0.015 0.188 0.479 525 A N -0.956 121.899 122.820 0.058 0.000 1.968 525 A HA -0.156 4.209 4.320 0.074 0.000 0.217 525 A C 1.919 179.625 177.584 0.203 0.000 1.169 525 A CA 2.850 54.949 52.037 0.103 0.000 0.638 525 A CB -0.481 18.583 19.000 0.106 0.000 0.812 525 A HN -0.284 7.737 8.150 0.045 0.155 0.446 526 D N -2.344 118.147 120.400 0.151 0.000 2.348 526 D HA -0.168 4.692 4.640 0.367 0.000 0.216 526 D C 1.608 177.996 176.300 0.147 0.000 0.970 526 D CA 2.457 56.566 54.000 0.182 0.000 0.889 526 D CB -0.408 40.416 40.800 0.039 0.000 0.912 526 D HN -0.442 7.898 8.370 0.084 0.080 0.524 527 R N -0.964 119.585 120.500 0.081 0.000 2.115 527 R HA -0.255 4.102 4.340 0.030 0.000 0.226 527 R C 1.426 177.735 176.300 0.015 0.000 1.100 527 R CA 2.608 58.730 56.100 0.036 0.000 0.980 527 R CB -0.098 30.210 30.300 0.014 0.000 0.875 527 R HN -0.355 7.830 8.270 0.072 0.128 0.445 528 K N -0.461 119.941 120.400 0.005 0.000 2.097 528 K HA -0.257 4.000 4.320 -0.105 0.000 0.205 528 K C 2.309 178.787 176.600 -0.203 0.000 1.050 528 K CA 2.967 59.183 56.287 -0.117 0.000 0.938 528 K CB -0.223 32.170 32.500 -0.178 0.000 0.718 528 K HN -0.491 7.642 8.250 0.056 0.150 0.442 529 F N -3.610 116.326 119.950 -0.023 0.000 2.802 529 F HA -0.140 4.378 4.527 -0.014 0.000 0.300 529 F C 1.558 177.333 175.800 -0.041 0.000 1.168 529 F CA 2.419 60.405 58.000 -0.023 0.000 1.433 529 F CB -0.244 38.744 39.000 -0.021 0.000 1.115 529 F HN -0.526 7.845 8.300 0.241 0.074 0.582 530 E N 0.773 121.017 120.200 0.072 0.000 2.385 530 E HA -0.213 4.139 4.350 0.003 0.000 0.194 530 E C 1.708 178.283 176.600 -0.042 0.000 1.013 530 E CA 2.477 58.881 56.400 0.007 0.000 0.866 530 E CB -0.433 29.268 29.700 0.003 0.000 0.832 530 E HN -0.263 7.990 8.360 0.068 0.148 0.500 531 E N -0.162 120.007 120.200 -0.052 0.000 2.158 531 E HA -0.244 4.066 4.350 -0.066 0.000 0.191 531 E C 2.479 179.028 176.600 -0.085 0.000 0.982 531 E CA 2.461 58.818 56.400 -0.072 0.000 0.823 531 E CB 0.017 29.670 29.700 -0.078 0.000 0.766 531 E HN -0.486 7.697 8.360 -0.047 0.149 0.468 532 L N -0.557 120.622 121.223 -0.074 0.000 2.141 532 L HA -0.237 4.084 4.340 -0.031 0.000 0.209 532 L C 1.365 178.145 176.870 -0.151 0.000 1.094 532 L CA 2.752 57.569 54.840 -0.037 0.000 0.763 532 L CB 0.011 42.097 42.059 0.045 0.000 0.908 532 L HN -0.592 7.508 8.230 -0.077 0.084 0.437 533 V N -2.058 117.744 119.914 -0.188 0.000 2.261 533 V HA -0.448 3.210 4.120 -0.770 0.000 0.246 533 V C 0.811 176.584 176.094 -0.536 0.000 1.047 533 V CA 3.238 65.273 62.300 -0.443 0.000 1.015 533 V CB 0.673 32.395 31.823 -0.168 0.000 0.642 533 V HN -0.516 7.396 8.190 -0.077 0.232 0.446 534 Q N -5.847 113.804 119.800 -0.247 0.000 2.468 534 Q HA -0.261 4.099 4.340 -0.117 -0.091 0.172 534 Q C -1.197 174.742 176.000 -0.103 0.000 0.602 534 Q CA -0.042 55.666 55.803 -0.160 0.000 1.378 534 Q CB -0.593 28.052 28.738 -0.154 0.000 0.868 534 Q HN 0.176 8.237 8.270 -0.171 0.107 1.111 535 T N -0.828 113.666 114.554 -0.100 0.000 0.659 535 T HA -0.357 3.959 4.350 -0.056 0.000 0.761 535 T C -1.231 173.442 174.700 -0.045 0.000 0.991 535 T CA 1.770 63.834 62.100 -0.060 0.000 4.013 535 T CB -0.115 68.727 68.868 -0.044 0.000 2.266 535 T HN -0.267 7.817 8.240 -0.129 0.078 0.391 536 R N 3.690 124.168 120.500 -0.036 0.000 3.511 536 R HA 0.112 4.442 4.340 -0.017 0.000 0.092 536 R C -1.482 174.810 176.300 -0.014 0.000 0.597 536 R CA -0.568 55.519 56.100 -0.021 0.000 0.434 536 R CB 1.096 31.386 30.300 -0.017 0.000 0.490 536 R HN 0.451 8.699 8.270 -0.038 0.000 0.332 537 N N -1.891 116.804 118.700 -0.008 0.000 4.091 537 N HA -0.147 4.722 4.740 -0.010 -0.135 0.234 537 N C -0.993 174.519 175.510 0.002 0.000 1.195 537 N CA 0.078 53.124 53.050 -0.006 0.000 0.653 537 N CB -0.321 38.161 38.487 -0.008 0.000 1.653 537 N HN -0.297 8.079 8.380 -0.007 0.000 0.354 538 Q N 0.418 120.218 119.800 0.001 0.000 1.849 538 Q HA -0.379 3.962 4.340 0.002 0.000 0.327 538 Q C -0.590 175.418 176.000 0.014 0.000 1.529 538 Q CA 1.704 57.510 55.803 0.005 0.000 0.932 538 Q CB -0.613 28.129 28.738 0.006 0.000 2.091 538 Q HN 0.401 8.668 8.270 -0.005 0.000 0.685 539 G N 0.084 108.900 108.800 0.027 0.000 2.204 539 G HA2 -0.302 3.731 3.960 0.068 0.000 0.244 539 G HA3 -0.302 3.669 3.960 0.047 0.017 0.244 539 G C -1.478 173.466 174.900 0.074 0.000 1.062 539 G CA -0.333 44.800 45.100 0.054 0.000 0.798 539 G HN -0.124 8.181 8.290 0.024 0.000 0.496 540 D N 1.246 121.646 120.400 0.001 0.000 2.346 540 D HA -0.026 4.542 4.640 -0.120 0.000 0.260 540 D C 0.568 176.731 176.300 -0.228 0.000 1.252 540 D CA 0.819 54.715 54.000 -0.174 0.000 0.895 540 D CB -0.608 40.049 40.800 -0.239 0.000 1.097 540 D HN -0.350 8.023 8.370 0.005 0.000 0.489 541 H N -2.031 117.146 119.070 0.178 0.000 4.823 541 H HA -0.531 4.040 4.556 0.025 0.000 0.064 541 H C -0.064 175.421 175.328 0.261 0.000 0.599 541 H CA 2.499 58.624 56.048 0.129 0.000 0.956 541 H CB -1.563 28.198 29.762 -0.002 0.000 0.432 541 H HN 0.200 8.458 8.280 -0.036 0.000 0.798 542 L N 1.103 122.487 121.223 0.269 0.000 2.483 542 L HA -0.091 4.361 4.340 0.186 0.000 0.276 542 L C -0.923 176.049 176.870 0.171 0.000 1.213 542 L CA 1.061 56.017 54.840 0.192 0.000 0.843 542 L CB 0.838 42.979 42.059 0.137 0.000 1.107 542 L HN -0.319 7.972 8.230 0.234 0.079 0.487 543 L N 1.008 122.312 121.223 0.135 0.000 2.845 543 L HA 0.097 4.480 4.340 0.073 0.000 0.253 543 L C -1.964 174.960 176.870 0.091 0.000 0.959 543 L CA -0.645 54.243 54.840 0.081 0.000 1.001 543 L CB 2.466 44.526 42.059 0.002 0.000 1.374 543 L HN -0.343 7.946 8.230 0.133 0.021 0.469 544 H N 6.754 125.829 119.070 0.009 0.000 2.897 544 H HA -0.010 4.561 4.556 0.024 0.000 0.347 544 H C -0.426 174.905 175.328 0.005 0.000 1.068 544 H CA 1.515 57.571 56.048 0.014 0.000 1.426 544 H CB 0.731 30.503 29.762 0.015 0.000 1.410 544 H HN 0.273 8.669 8.280 0.194 0.000 0.597 545 S N 6.671 122.149 115.700 -0.371 0.000 2.545 545 S HA 0.168 4.596 4.470 -0.070 0.000 0.259 545 S C -1.647 172.807 174.600 -0.244 0.000 1.092 545 S CA -0.336 57.752 58.200 -0.187 0.000 1.054 545 S CB 1.887 65.030 63.200 -0.096 0.000 1.146 545 S HN 0.137 7.988 8.310 -0.764 0.000 0.447 546 T N 3.517 117.990 114.554 -0.135 0.000 3.097 546 T HA 0.136 4.448 4.350 -0.065 0.000 0.332 546 T C -0.779 173.936 174.700 0.025 0.000 1.269 546 T CA -0.437 61.621 62.100 -0.070 0.000 1.076 546 T CB 1.844 70.650 68.868 -0.102 0.000 1.209 546 T HN -0.136 8.076 8.240 -0.047 0.000 0.474 547 R N 4.803 125.321 120.500 0.031 0.000 2.571 547 R HA 0.342 4.725 4.340 0.071 0.000 0.259 547 R C -1.129 175.216 176.300 0.075 0.000 1.226 547 R CA -0.298 55.837 56.100 0.058 0.000 1.157 547 R CB 0.821 31.148 30.300 0.046 0.000 1.220 547 R HN 0.063 8.340 8.270 0.012 0.000 0.605 548 K N -0.484 119.967 120.400 0.084 0.000 2.651 548 K HA 0.125 4.482 4.320 0.062 0.000 0.259 548 K C -1.213 175.428 176.600 0.069 0.000 1.017 548 K CA 0.438 56.774 56.287 0.081 0.000 0.897 548 K CB 0.523 33.091 32.500 0.115 0.000 1.262 548 K HN 0.222 8.521 8.250 0.080 0.000 0.460 549 Q N 5.188 125.017 119.800 0.049 0.000 4.082 549 Q HA 0.111 4.478 4.340 0.044 0.000 0.180 549 Q C -1.435 174.583 176.000 0.030 0.000 0.863 549 Q CA -0.316 55.512 55.803 0.041 0.000 0.772 549 Q CB 0.325 29.087 28.738 0.040 0.000 1.527 549 Q HN 0.174 8.469 8.270 0.043 0.000 0.441 550 V N 0.687 120.616 119.914 0.026 0.000 3.264 550 V HA 0.261 4.392 4.120 0.018 0.000 0.304 550 V C -0.218 175.886 176.094 0.016 0.000 1.086 550 V CA 0.499 62.810 62.300 0.019 0.000 1.090 550 V CB 0.921 32.753 31.823 0.015 0.000 1.112 550 V HN -0.206 8.001 8.190 0.028 0.000 0.472 551 E N -0.600 119.608 120.200 0.013 0.000 2.385 551 E HA -0.128 4.230 4.350 0.013 0.000 0.194 551 E C -0.471 176.135 176.600 0.010 0.000 1.013 551 E CA 0.410 56.816 56.400 0.012 0.000 0.866 551 E CB 0.216 29.922 29.700 0.010 0.000 0.832 551 E HN 0.249 8.616 8.360 0.012 0.000 0.500 552 E N 0.818 121.023 120.200 0.009 0.000 2.349 552 E HA 0.068 4.421 4.350 0.006 0.000 0.262 552 E C -1.368 175.236 176.600 0.007 0.000 1.088 552 E CA -0.056 56.347 56.400 0.006 0.000 0.899 552 E CB 0.543 30.246 29.700 0.004 0.000 1.044 552 E HN -0.334 7.991 8.360 0.009 0.040 0.420 553 A N 0.000 122.823 122.820 0.005 0.000 2.254 553 A HA 0.000 4.322 4.320 0.004 0.000 0.244 553 A CA 0.000 52.040 52.037 0.005 0.000 0.836 553 A CB 0.000 19.005 19.000 0.009 0.000 0.831 553 A HN 0.000 8.152 8.150 0.004 0.000 0.486