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 1vf9_1_A DATA FIRST_RESID 437 DATA SEQUENCE MEDSTTNITK KQKWTVEESE WVKAGVQKYG EGNWAAISKN YPFVNRTAVM DATA SEQUENCE IKDRWRTMKR LGMN 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 437 M HA 0.000 4.480 4.480 -0.001 0.000 0.227 437 M C 0.000 176.299 176.300 -0.001 0.000 1.140 437 M CA 0.000 55.300 55.300 -0.001 0.000 0.988 437 M CB 0.000 32.600 32.600 -0.001 0.000 1.302 438 E N 2.048 122.247 120.200 -0.001 0.000 2.528 438 E HA 0.195 4.544 4.350 -0.001 0.000 0.277 438 E C -1.485 175.114 176.600 -0.002 0.000 0.980 438 E CA 0.181 56.580 56.400 -0.001 0.000 0.796 438 E CB 1.402 31.102 29.700 -0.001 0.000 1.427 438 E HN -0.204 8.155 8.360 -0.001 0.000 0.394 439 D N 2.103 122.502 120.400 -0.002 0.000 2.490 439 D HA 0.135 4.773 4.640 -0.003 0.000 0.244 439 D C 0.902 177.199 176.300 -0.004 0.000 0.979 439 D CA 2.078 56.077 54.000 -0.003 0.000 0.924 439 D CB 1.543 42.340 40.800 -0.004 0.000 1.075 439 D HN 0.354 8.723 8.370 -0.003 0.000 0.488 440 S N -3.535 112.162 115.700 -0.004 0.000 2.607 440 S HA -0.045 4.422 4.470 -0.005 0.000 0.224 440 S C 0.400 174.998 174.600 -0.003 0.000 0.969 440 S CA 1.506 59.704 58.200 -0.004 0.000 0.927 440 S CB 0.279 63.477 63.200 -0.005 0.000 0.772 440 S HN -0.091 8.217 8.310 -0.004 0.000 0.533 441 T N 1.024 115.576 114.554 -0.002 0.000 2.988 441 T HA 0.096 4.445 4.350 -0.001 0.000 0.240 441 T C 1.034 175.734 174.700 -0.001 0.000 1.014 441 T CA 1.574 63.673 62.100 -0.001 0.000 1.155 441 T CB 0.443 69.311 68.868 -0.001 0.000 0.872 441 T HN -0.342 7.818 8.240 -0.002 0.079 0.440 442 T N 1.791 116.345 114.554 -0.001 0.000 2.559 442 T HA -0.196 4.154 4.350 -0.001 0.000 0.251 442 T C 0.470 175.169 174.700 -0.001 0.000 1.122 442 T CA 2.450 64.550 62.100 -0.001 0.000 1.231 442 T CB 0.608 69.475 68.868 -0.001 0.000 0.881 442 T HN -0.199 8.040 8.240 -0.001 0.000 0.397 443 N N -1.010 117.690 118.700 -0.001 0.000 2.706 443 N HA -0.006 4.733 4.740 -0.001 0.000 0.219 443 N C -1.769 173.740 175.510 -0.002 0.000 1.336 443 N CA 0.051 53.100 53.050 -0.001 0.000 1.663 443 N CB -0.264 38.223 38.487 -0.001 0.000 1.373 443 N HN 0.026 8.405 8.380 -0.001 0.000 0.619 444 I N 1.091 121.660 120.570 -0.002 0.000 2.608 444 I HA 0.235 4.404 4.170 -0.002 0.000 0.295 444 I C -1.614 174.500 176.117 -0.005 0.000 1.049 444 I CA -0.296 61.003 61.300 -0.003 0.000 1.063 444 I CB 2.932 40.931 38.000 -0.003 0.000 1.248 444 I HN -0.019 8.189 8.210 -0.003 0.000 0.424 445 T N 5.267 119.817 114.554 -0.005 0.000 4.152 445 T HA 0.054 4.398 4.350 -0.010 0.000 0.237 445 T C -0.466 174.228 174.700 -0.010 0.000 0.971 445 T CA -0.172 61.923 62.100 -0.009 0.000 1.328 445 T CB 0.597 69.460 68.868 -0.009 0.000 0.912 445 T HN 0.172 8.409 8.240 -0.004 0.000 0.587 446 K N 2.549 122.944 120.400 -0.008 0.000 3.006 446 K HA 0.035 4.351 4.320 -0.006 0.000 0.265 446 K C -0.771 175.822 176.600 -0.012 0.000 1.279 446 K CA -0.123 56.160 56.287 -0.007 0.000 1.229 446 K CB -0.519 31.978 32.500 -0.005 0.000 1.555 446 K HN 0.203 8.449 8.250 -0.007 0.000 0.300 447 K N 0.106 120.494 120.400 -0.020 0.000 2.761 447 K HA 0.106 4.412 4.320 -0.024 0.000 0.286 447 K C -0.523 176.057 176.600 -0.034 0.000 1.019 447 K CA -0.267 56.003 56.287 -0.030 0.000 1.070 447 K CB 0.732 33.206 32.500 -0.042 0.000 1.387 447 K HN -0.490 7.665 8.250 -0.020 0.084 0.509 448 Q N 0.633 120.401 119.800 -0.053 0.000 2.256 448 Q HA 0.056 4.381 4.340 -0.026 0.000 0.257 448 Q C 0.767 176.709 176.000 -0.097 0.000 0.936 448 Q CA -0.278 55.493 55.803 -0.053 0.000 0.903 448 Q CB 1.213 29.921 28.738 -0.051 0.000 1.263 448 Q HN 0.246 8.478 8.270 -0.063 0.000 0.440 449 K N 3.373 123.750 120.400 -0.037 0.000 1.963 449 K HA -0.162 4.122 4.320 -0.061 0.000 0.216 449 K C 0.121 176.597 176.600 -0.207 0.000 1.045 449 K CA 2.022 58.300 56.287 -0.015 0.000 0.954 449 K CB 0.184 32.778 32.500 0.156 0.000 0.732 449 K HN 0.427 8.680 8.250 0.005 0.000 0.442 450 W N -3.818 117.482 121.300 -0.000 0.000 3.075 450 W HA 0.135 4.804 4.660 0.016 0.000 0.334 450 W C -1.377 175.125 176.519 -0.028 0.000 1.243 450 W CA -0.813 56.531 57.345 -0.002 0.000 1.170 450 W CB 2.117 31.575 29.460 -0.004 0.000 1.452 450 W HN -0.671 7.635 8.180 0.211 0.000 0.572 451 T N -4.014 110.667 114.554 0.212 0.000 2.573 451 T HA 0.285 4.672 4.350 0.061 0.000 0.259 451 T C -0.363 174.352 174.700 0.024 0.000 0.886 451 T CA -1.286 60.850 62.100 0.060 0.000 1.110 451 T CB 1.699 70.546 68.868 -0.036 0.000 1.421 451 T HN -0.301 8.117 8.240 0.297 0.000 0.523 452 V N -0.400 119.480 119.914 -0.057 0.000 2.992 452 V HA -0.044 4.050 4.120 -0.043 0.000 0.250 452 V C 1.622 177.586 176.094 -0.217 0.000 1.090 452 V CA 1.599 63.849 62.300 -0.083 0.000 1.101 452 V CB 0.266 32.055 31.823 -0.056 0.000 0.743 452 V HN 0.240 8.391 8.190 -0.065 0.000 0.468 453 E N 0.321 120.303 120.200 -0.363 0.000 2.152 453 E HA -0.289 3.715 4.350 -0.577 0.000 0.192 453 E C 2.131 177.783 176.600 -1.580 0.000 0.983 453 E CA 3.194 59.120 56.400 -0.791 0.000 0.818 453 E CB -0.346 28.973 29.700 -0.636 0.000 0.758 453 E HN 0.020 8.215 8.360 -0.275 0.000 0.467 454 E N -0.483 119.159 120.200 -0.931 0.000 2.072 454 E HA -0.291 3.510 4.350 -0.916 0.000 0.190 454 E C 2.009 178.651 176.600 0.071 0.000 0.982 454 E CA 3.000 59.127 56.400 -0.455 0.000 0.803 454 E CB 0.095 29.898 29.700 0.171 0.000 0.755 454 E HN -0.572 7.452 8.360 -0.530 0.018 0.453 455 S N 0.011 115.761 115.700 0.083 0.000 2.382 455 S HA -0.340 4.250 4.470 0.200 0.000 0.228 455 S C 2.086 176.758 174.600 0.120 0.000 1.027 455 S CA 3.967 62.245 58.200 0.130 0.000 0.991 455 S CB -0.202 63.027 63.200 0.048 0.000 0.823 455 S HN -0.547 7.780 8.310 0.028 0.000 0.469 456 E N 2.313 122.493 120.200 -0.034 0.000 2.051 456 E HA -0.209 4.216 4.350 0.124 0.000 0.192 456 E C 2.031 178.793 176.600 0.269 0.000 0.991 456 E CA 3.235 59.675 56.400 0.067 0.000 0.799 456 E CB -0.396 29.279 29.700 -0.042 0.000 0.748 456 E HN -0.750 7.479 8.360 -0.197 0.013 0.449 457 W N -1.769 119.644 121.300 0.187 0.000 2.338 457 W HA -0.244 4.609 4.660 0.321 0.000 0.304 457 W C 2.586 179.158 176.519 0.089 0.000 1.212 457 W CA 1.496 58.954 57.345 0.189 0.000 1.264 457 W CB -0.788 28.679 29.460 0.013 0.000 1.142 457 W HN -0.540 7.463 8.180 -0.294 0.000 0.512 458 V N 0.016 120.220 119.914 0.483 0.000 2.255 458 V HA -0.619 3.646 4.120 0.241 0.000 0.247 458 V C 1.983 178.150 176.094 0.122 0.000 1.051 458 V CA 4.557 67.037 62.300 0.300 0.000 1.018 458 V CB -0.816 31.234 31.823 0.379 0.000 0.641 458 V HN -0.242 8.280 8.190 0.560 0.004 0.445 459 K N -0.103 120.453 120.400 0.259 0.000 2.044 459 K HA -0.483 4.022 4.320 0.308 0.000 0.210 459 K C 2.073 178.759 176.600 0.143 0.000 1.049 459 K CA 3.685 60.126 56.287 0.257 0.000 0.927 459 K CB -0.316 32.367 32.500 0.306 0.000 0.713 459 K HN -0.389 8.054 8.250 0.321 0.000 0.443 460 A N -3.350 119.587 122.820 0.196 0.000 2.014 460 A HA -0.010 4.426 4.320 0.193 0.000 0.218 460 A C 2.355 180.041 177.584 0.170 0.000 1.163 460 A CA 2.479 54.653 52.037 0.229 0.000 0.652 460 A CB -0.731 18.508 19.000 0.398 0.000 0.808 460 A HN -0.230 8.071 8.150 0.253 0.000 0.449 461 G N -1.505 107.259 108.800 -0.059 0.000 2.448 461 G HA2 -0.158 3.810 3.960 0.012 0.000 0.218 461 G HA3 -0.158 3.536 3.960 -0.445 0.000 0.218 461 G C 1.324 176.172 174.900 -0.087 0.000 1.135 461 G CA 1.872 46.858 45.100 -0.191 0.000 0.784 461 G HN 0.348 8.367 8.290 -0.062 0.234 0.543 462 V N 2.940 122.727 119.914 -0.212 0.000 2.535 462 V HA -0.325 3.508 4.120 -0.478 0.000 0.246 462 V C 1.800 177.802 176.094 -0.152 0.000 1.045 462 V CA 2.778 64.865 62.300 -0.356 0.000 1.058 462 V CB -0.763 30.661 31.823 -0.665 0.000 0.689 462 V HN 0.105 8.061 8.190 -0.190 0.120 0.461 463 Q N -0.343 119.431 119.800 -0.043 0.000 2.297 463 Q HA -0.252 4.084 4.340 -0.006 0.000 0.204 463 Q C 1.540 177.530 176.000 -0.017 0.000 0.962 463 Q CA 2.858 58.663 55.803 0.002 0.000 0.879 463 Q CB -0.003 28.767 28.738 0.055 0.000 0.947 463 Q HN -0.514 7.744 8.270 -0.020 0.000 0.462 464 K N -2.307 118.094 120.400 0.001 0.000 2.214 464 K HA -0.057 4.183 4.320 -0.132 0.000 0.201 464 K C 1.276 177.687 176.600 -0.315 0.000 1.049 464 K CA 1.465 57.685 56.287 -0.112 0.000 0.978 464 K CB 1.122 33.642 32.500 0.033 0.000 0.842 464 K HN -0.518 7.737 8.250 0.058 0.030 0.474 465 Y N -3.574 116.665 120.300 -0.103 0.000 2.444 465 Y HA 0.019 4.505 4.550 -0.107 0.000 0.249 465 Y C -0.404 175.353 175.900 -0.237 0.000 1.134 465 Y CA 0.054 58.061 58.100 -0.156 0.000 1.261 465 Y CB 1.159 39.510 38.460 -0.181 0.000 1.143 465 Y HN -0.473 7.916 8.280 0.182 0.000 0.523 466 G N -0.832 107.886 108.800 -0.137 0.000 2.825 466 G HA2 -0.399 3.566 3.960 -0.177 0.000 0.684 466 G HA3 -0.399 3.471 3.960 -0.150 0.000 0.684 466 G C -1.561 173.101 174.900 -0.397 0.000 1.528 466 G CA -0.517 44.461 45.100 -0.204 0.000 0.963 466 G HN -0.366 7.752 8.290 -0.111 0.105 0.577 467 E N 1.371 121.339 120.200 -0.387 0.000 2.437 467 E HA -0.258 3.437 4.350 -1.090 0.000 0.263 467 E C 0.390 176.681 176.600 -0.515 0.000 1.030 467 E CA 0.358 56.422 56.400 -0.561 0.000 0.934 467 E CB 0.025 29.651 29.700 -0.123 0.000 0.943 467 E HN 0.163 8.388 8.360 -0.226 0.000 0.444 468 G N 3.811 112.149 108.800 -0.770 0.000 2.424 468 G HA2 -0.353 3.487 3.960 -0.200 0.000 0.207 468 G HA3 -0.353 3.453 3.960 -0.258 0.000 0.207 468 G C -0.071 174.506 174.900 -0.538 0.000 1.061 468 G CA -0.181 44.664 45.100 -0.426 0.000 0.657 468 G HN 0.146 7.626 8.290 -1.349 0.000 0.508 469 N N 3.670 121.989 118.700 -0.634 0.000 3.083 469 N HA 0.239 4.830 4.740 -0.248 0.000 0.260 469 N C -0.336 174.865 175.510 -0.515 0.000 1.163 469 N CA -0.959 51.846 53.050 -0.409 0.000 1.060 469 N CB -0.673 37.696 38.487 -0.196 0.000 1.345 469 N HN -0.519 7.388 8.380 -0.676 0.067 0.515 470 W N 2.182 123.398 121.300 -0.141 0.000 2.494 470 W HA -0.171 4.349 4.660 -0.232 0.000 0.286 470 W C 0.767 177.170 176.519 -0.194 0.000 1.218 470 W CA 2.503 59.735 57.345 -0.187 0.000 1.313 470 W CB 0.184 29.558 29.460 -0.145 0.000 1.105 470 W HN -0.505 7.557 8.180 -0.197 0.000 0.561 471 A N -0.333 122.523 122.820 0.060 0.000 1.933 471 A HA -0.341 3.987 4.320 0.014 0.000 0.218 471 A C 1.667 179.199 177.584 -0.087 0.000 1.175 471 A CA 3.176 55.210 52.037 -0.005 0.000 0.628 471 A CB -1.200 17.799 19.000 -0.001 0.000 0.814 471 A HN 0.337 8.531 8.150 0.074 0.000 0.444 472 A N -1.638 121.056 122.820 -0.211 0.000 1.902 472 A HA -0.202 3.969 4.320 -0.249 0.000 0.217 472 A C 2.219 179.543 177.584 -0.434 0.000 1.181 472 A CA 2.693 54.482 52.037 -0.414 0.000 0.623 472 A CB -0.862 17.678 19.000 -0.767 0.000 0.818 472 A HN 0.136 8.149 8.150 -0.207 0.013 0.443 473 I N -2.523 117.812 120.570 -0.392 0.000 2.252 473 I HA -0.544 3.595 4.170 -0.053 0.000 0.245 473 I C 1.780 178.014 176.117 0.195 0.000 1.102 473 I CA 3.750 64.961 61.300 -0.148 0.000 1.385 473 I CB -0.122 37.744 38.000 -0.224 0.000 1.064 473 I HN -0.701 7.276 8.210 -0.389 0.000 0.414 474 S N -0.787 114.959 115.700 0.077 0.000 2.423 474 S HA -0.359 4.331 4.470 0.367 0.000 0.231 474 S C 1.738 176.462 174.600 0.207 0.000 1.014 474 S CA 3.573 61.873 58.200 0.165 0.000 0.965 474 S CB -0.150 63.033 63.200 -0.028 0.000 0.785 474 S HN -0.058 8.237 8.310 -0.025 0.000 0.495 475 K N -2.391 118.073 120.400 0.107 0.000 2.323 475 K HA -0.036 4.326 4.320 0.069 0.000 0.197 475 K C 1.017 177.660 176.600 0.072 0.000 1.043 475 K CA 1.264 57.592 56.287 0.068 0.000 0.997 475 K CB -0.020 32.489 32.500 0.015 0.000 0.807 475 K HN -0.376 7.773 8.250 0.046 0.129 0.497 476 N N -2.879 115.900 118.700 0.131 0.000 2.388 476 N HA -0.011 4.723 4.740 -0.010 0.000 0.176 476 N C -0.532 174.940 175.510 -0.064 0.000 1.062 476 N CA 0.950 54.037 53.050 0.061 0.000 0.895 476 N CB 2.405 40.973 38.487 0.134 0.000 1.018 476 N HN -0.405 7.979 8.380 0.182 0.105 0.456 477 Y N 0.146 120.428 120.300 -0.030 0.000 2.488 477 Y HA 0.364 4.700 4.550 -0.357 0.000 0.325 477 Y C -1.393 174.270 175.900 -0.396 0.000 1.204 477 Y CA -2.691 55.257 58.100 -0.254 0.000 1.229 477 Y CB 0.076 38.472 38.460 -0.108 0.000 1.274 477 Y HN 0.011 8.540 8.280 0.577 0.097 0.493 478 P HA 0.001 4.212 4.420 -0.349 0.000 0.235 478 P C -2.279 174.712 177.300 -0.515 0.000 1.765 478 P CA 0.328 63.021 63.100 -0.677 0.000 1.034 478 P CB -1.818 29.295 31.700 -0.979 0.000 1.984 479 F N 1.957 121.892 119.950 -0.023 0.000 2.420 479 F HA 0.059 4.757 4.527 0.285 0.000 0.342 479 F C 0.416 176.251 175.800 0.059 0.000 1.113 479 F CA -0.682 57.398 58.000 0.133 0.000 1.059 479 F CB 1.749 40.839 39.000 0.150 0.000 1.128 479 F HN -0.109 8.204 8.300 0.118 0.058 0.475 480 V N 2.237 122.316 119.914 0.275 0.000 4.563 480 V HA -0.066 4.111 4.120 0.095 0.000 0.252 480 V C 0.907 177.059 176.094 0.097 0.000 0.957 480 V CA 0.201 62.577 62.300 0.127 0.000 0.781 480 V CB 0.371 32.240 31.823 0.076 0.000 1.086 480 V HN 0.108 8.498 8.190 0.334 0.000 0.333 481 N N 0.803 119.526 118.700 0.040 0.000 2.623 481 N HA -0.028 4.728 4.740 0.026 0.000 0.263 481 N C -0.431 175.073 175.510 -0.011 0.000 1.218 481 N CA 0.009 53.068 53.050 0.015 0.000 0.949 481 N CB -1.516 36.972 38.487 0.001 0.000 1.270 481 N HN 0.084 8.478 8.380 0.023 0.000 0.507 482 R N -1.358 119.135 120.500 -0.012 0.000 2.275 482 R HA -0.006 4.278 4.340 -0.092 0.000 0.199 482 R C -0.212 176.042 176.300 -0.077 0.000 0.989 482 R CA -0.075 55.977 56.100 -0.080 0.000 1.016 482 R CB 0.430 30.646 30.300 -0.140 0.000 0.918 482 R HN -0.513 7.685 8.270 0.047 0.100 0.473 483 T N -1.411 113.113 114.554 -0.051 0.000 1.910 483 T HA -0.375 3.963 4.350 -0.020 0.000 0.770 483 T C -0.591 174.062 174.700 -0.079 0.000 1.001 483 T CA 2.205 64.280 62.100 -0.042 0.000 4.054 483 T CB -0.779 68.073 68.868 -0.026 0.000 2.311 483 T HN -0.423 7.761 8.240 -0.020 0.044 0.396 484 A N -1.156 121.639 122.820 -0.043 0.000 2.192 484 A HA 0.128 4.416 4.320 -0.054 0.000 0.208 484 A C 1.292 178.790 177.584 -0.144 0.000 1.220 484 A CA 1.768 53.788 52.037 -0.028 0.000 0.900 484 A CB 0.323 19.394 19.000 0.117 0.000 0.937 484 A HN 0.134 8.271 8.150 -0.021 0.000 0.487 485 V N 1.621 121.478 119.914 -0.094 0.000 2.358 485 V HA -0.468 3.565 4.120 -0.144 0.000 0.246 485 V C 1.656 177.670 176.094 -0.134 0.000 1.047 485 V CA 4.504 66.735 62.300 -0.115 0.000 1.035 485 V CB -0.145 31.650 31.823 -0.046 0.000 0.658 485 V HN -0.130 8.030 8.190 -0.049 0.000 0.452 486 M N -1.158 118.405 119.600 -0.062 0.000 2.067 486 M HA -0.373 4.158 4.480 0.085 0.000 0.260 486 M C 2.234 178.589 176.300 0.093 0.000 1.069 486 M CA 3.943 59.285 55.300 0.070 0.000 1.117 486 M CB -0.713 31.948 32.600 0.101 0.000 1.334 486 M HN -0.849 7.407 8.290 -0.058 0.000 0.407 487 I N -2.015 118.532 120.570 -0.038 0.000 2.454 487 I HA -0.537 3.695 4.170 0.104 0.000 0.254 487 I C 1.879 177.592 176.117 -0.673 0.000 1.156 487 I CA 3.731 64.916 61.300 -0.193 0.000 1.433 487 I CB -0.871 36.928 38.000 -0.335 0.000 1.082 487 I HN -0.021 8.125 8.210 -0.107 0.000 0.432 488 K N 0.529 120.415 120.400 -0.857 0.000 2.031 488 K HA -0.351 2.905 4.320 -1.773 0.000 0.205 488 K C 1.828 178.167 176.600 -0.435 0.000 1.049 488 K CA 3.661 59.309 56.287 -1.064 0.000 0.939 488 K CB -0.387 31.579 32.500 -0.891 0.000 0.717 488 K HN -0.525 7.212 8.250 -0.626 0.137 0.438 489 D N -0.569 119.662 120.400 -0.282 0.000 2.117 489 D HA -0.257 4.301 4.640 -0.137 0.000 0.197 489 D C 2.328 178.490 176.300 -0.229 0.000 0.987 489 D CA 3.326 57.221 54.000 -0.174 0.000 0.829 489 D CB 0.158 40.899 40.800 -0.099 0.000 0.961 489 D HN -0.412 7.798 8.370 -0.267 0.000 0.460 490 R N -0.095 120.199 120.500 -0.343 0.000 2.081 490 R HA -0.228 3.783 4.340 -0.548 0.000 0.235 490 R C 1.935 178.013 176.300 -0.370 0.000 1.131 490 R CA 2.936 58.691 56.100 -0.575 0.000 0.960 490 R CB -0.132 29.406 30.300 -1.270 0.000 0.856 490 R HN -0.365 7.719 8.270 -0.309 0.000 0.436 491 W N -0.218 120.801 121.300 -0.467 0.000 2.363 491 W HA -0.314 4.208 4.660 -0.230 0.000 0.296 491 W C 1.761 178.173 176.519 -0.178 0.000 1.212 491 W CA 2.989 60.166 57.345 -0.280 0.000 1.260 491 W CB 0.108 29.396 29.460 -0.286 0.000 1.131 491 W HN -0.369 7.679 8.180 -0.220 0.000 0.530 492 R N -1.202 119.210 120.500 -0.147 0.000 2.115 492 R HA -0.293 3.933 4.340 -0.189 0.000 0.226 492 R C 2.172 178.335 176.300 -0.227 0.000 1.100 492 R CA 3.518 59.515 56.100 -0.171 0.000 0.980 492 R CB 0.008 30.266 30.300 -0.070 0.000 0.875 492 R HN -0.409 7.715 8.270 -0.084 0.095 0.445 493 T N 2.359 116.772 114.554 -0.234 0.000 2.812 493 T HA -0.340 3.908 4.350 -0.170 0.000 0.264 493 T C 1.688 176.237 174.700 -0.252 0.000 1.042 493 T CA 4.498 66.469 62.100 -0.216 0.000 1.140 493 T CB -0.173 68.564 68.868 -0.219 0.000 0.870 493 T HN -0.292 7.692 8.240 -0.239 0.113 0.445 494 M N 1.260 120.664 119.600 -0.327 0.000 2.159 494 M HA -0.332 3.994 4.480 -0.256 0.000 0.263 494 M C 1.061 177.142 176.300 -0.366 0.000 1.063 494 M CA 3.279 58.378 55.300 -0.336 0.000 1.110 494 M CB -0.056 32.307 32.600 -0.394 0.000 1.374 494 M HN 0.005 8.082 8.290 -0.356 0.000 0.411 495 K N -2.292 117.824 120.400 -0.472 0.000 2.288 495 K HA -0.221 3.867 4.320 -0.386 0.000 0.201 495 K C 2.468 178.928 176.600 -0.233 0.000 1.048 495 K CA 1.980 58.029 56.287 -0.396 0.000 0.956 495 K CB -0.240 31.973 32.500 -0.478 0.000 0.746 495 K HN -0.511 7.398 8.250 -0.552 0.010 0.461 496 R N -2.395 117.982 120.500 -0.204 0.000 2.056 496 R HA -0.177 4.095 4.340 -0.115 0.000 0.227 496 R C 1.401 177.630 176.300 -0.118 0.000 1.149 496 R CA 2.529 58.547 56.100 -0.136 0.000 0.937 496 R CB 0.824 31.050 30.300 -0.123 0.000 0.835 496 R HN -0.611 7.374 8.270 -0.237 0.143 0.430 497 L N -4.071 117.077 121.223 -0.125 0.000 3.439 497 L HA 0.324 4.611 4.340 -0.089 0.000 0.313 497 L C -0.252 176.552 176.870 -0.110 0.000 1.292 497 L CA -0.381 54.399 54.840 -0.100 0.000 1.020 497 L CB 1.423 43.434 42.059 -0.081 0.000 1.424 497 L HN -0.421 7.723 8.230 -0.144 0.000 0.612 498 G N 0.639 109.353 108.800 -0.144 0.000 2.624 498 G HA2 -0.048 3.840 3.960 -0.121 0.000 0.216 498 G HA3 -0.048 3.806 3.960 -0.182 -0.003 0.216 498 G C 0.219 175.049 174.900 -0.118 0.000 1.274 498 G CA 1.299 46.313 45.100 -0.143 0.000 0.856 498 G HN 0.162 8.262 8.290 -0.171 0.087 0.555 499 M N -0.650 118.869 119.600 -0.136 0.000 2.673 499 M HA 0.246 4.681 4.480 -0.075 0.000 0.334 499 M C -0.881 175.364 176.300 -0.092 0.000 1.211 499 M CA -0.968 54.273 55.300 -0.098 0.000 0.962 499 M CB -0.101 32.441 32.600 -0.095 0.000 1.343 499 M HN -0.488 7.692 8.290 -0.182 0.000 0.511 500 N N 0.000 118.640 118.700 -0.099 0.000 1.763 500 N HA 0.000 4.699 4.740 -0.069 0.000 0.220 500 N CA 0.000 53.001 53.050 -0.082 0.000 0.885 500 N CB 0.000 38.425 38.487 -0.104 0.000 1.341 500 N HN 0.000 8.242 8.380 -0.110 0.071 0.667