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 2hdp_1_B DATA FIRST_RESID 429 DATA SEQUENCE SLPLNAIEPC VICQGRPKNG CIVHGKTGHL MACFTCAKKL KKRNKPCPVC DATA SEQUENCE RQPIQMIVLT YFP 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 429 S HA 0.000 4.462 4.470 -0.013 0.000 0.327 429 S C 0.000 174.592 174.600 -0.014 0.000 1.055 429 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 429 S CB 0.000 63.194 63.200 -0.009 0.000 0.593 430 L N 4.603 125.815 121.223 -0.018 0.000 2.483 430 L HA 0.125 4.459 4.340 -0.009 0.000 0.276 430 L C -0.582 176.279 176.870 -0.014 0.000 1.213 430 L CA -0.761 54.069 54.840 -0.015 0.000 0.843 430 L CB 0.219 42.266 42.059 -0.021 0.000 1.107 430 L HN -0.543 7.674 8.230 -0.021 0.000 0.487 431 P HA 0.078 4.504 4.420 0.011 0.000 0.245 431 P C -1.346 175.966 177.300 0.020 0.000 1.212 431 P CA 0.711 63.818 63.100 0.011 0.000 0.774 431 P CB 0.264 31.976 31.700 0.019 0.000 0.999 432 L N -2.413 118.810 121.223 -0.001 0.000 2.415 432 L HA 0.110 4.450 4.340 0.001 0.000 0.256 432 L C 0.363 177.188 176.870 -0.076 0.000 1.010 432 L CA -0.798 54.036 54.840 -0.010 0.000 0.826 432 L CB 2.412 44.491 42.059 0.032 0.000 1.405 432 L HN -0.785 7.369 8.230 -0.012 0.069 0.410 433 N N -1.558 117.050 118.700 -0.154 0.000 2.889 433 N HA -0.390 4.169 4.740 -0.302 0.000 0.234 433 N C 0.221 175.611 175.510 -0.201 0.000 0.915 433 N CA 2.225 55.156 53.050 -0.198 0.000 1.025 433 N CB -0.891 37.540 38.487 -0.092 0.000 1.073 433 N HN 0.640 8.928 8.380 -0.154 0.000 0.613 434 A N 1.269 123.990 122.820 -0.165 0.000 2.711 434 A HA 0.011 4.272 4.320 -0.099 0.000 0.242 434 A C -0.141 177.354 177.584 -0.148 0.000 1.607 434 A CA -0.232 51.731 52.037 -0.123 0.000 1.370 434 A CB -1.039 17.915 19.000 -0.077 0.000 0.934 434 A HN -0.448 7.485 8.150 -0.142 0.132 0.628 435 I N 0.630 121.076 120.570 -0.207 0.000 2.426 435 I HA -0.114 3.952 4.170 -0.174 0.000 0.282 435 I C -0.456 175.604 176.117 -0.095 0.000 1.064 435 I CA -1.461 59.725 61.300 -0.189 0.000 2.047 435 I CB -3.178 34.654 38.000 -0.280 0.000 1.497 435 I HN -0.290 7.685 8.210 -0.229 0.098 0.899 436 E N 4.665 124.824 120.200 -0.069 0.000 2.392 436 E HA 0.204 4.531 4.350 -0.039 0.000 0.259 436 E C -1.552 175.033 176.600 -0.026 0.000 1.108 436 E CA -1.431 54.944 56.400 -0.041 0.000 0.916 436 E CB 0.270 29.949 29.700 -0.034 0.000 0.989 436 E HN -0.233 8.002 8.360 -0.076 0.079 0.432 437 P HA 0.056 4.591 4.420 -0.005 -0.118 0.279 437 P C -0.651 176.645 177.300 -0.007 0.000 1.282 437 P CA -0.816 62.279 63.100 -0.008 0.000 0.788 437 P CB 0.889 32.586 31.700 -0.005 0.000 1.139 438 C N -1.696 117.602 119.300 -0.003 0.000 2.883 438 C HA -0.226 4.349 4.460 -0.008 -0.119 0.347 438 C C 1.403 176.389 174.990 -0.007 0.000 1.361 438 C CA 0.553 59.567 59.018 -0.006 0.000 2.102 438 C CB 0.205 27.944 27.740 -0.003 0.000 2.496 438 C HN 0.061 8.291 8.230 0.001 0.000 0.758 439 V N 2.065 121.972 119.914 -0.012 0.000 3.645 439 V HA 0.095 4.210 4.120 -0.008 0.000 0.275 439 V C -1.235 174.850 176.094 -0.015 0.000 1.356 439 V CA 1.303 63.596 62.300 -0.012 0.000 1.051 439 V CB 0.782 32.598 31.823 -0.012 0.000 0.828 439 V HN 0.305 8.485 8.190 -0.016 0.000 0.441 440 I N 0.697 121.257 120.570 -0.016 0.000 3.523 440 I HA 0.003 4.164 4.170 -0.015 0.000 0.244 440 I C 0.945 177.057 176.117 -0.008 0.000 1.110 440 I CA 1.867 63.158 61.300 -0.015 0.000 1.517 440 I CB 0.991 38.978 38.000 -0.021 0.000 1.505 440 I HN -0.218 7.982 8.210 -0.016 0.000 0.460 441 C N -1.516 117.781 119.300 -0.005 0.000 2.466 441 C HA -0.160 4.300 4.460 -0.001 0.000 0.278 441 C C 0.753 175.743 174.990 -0.000 0.000 1.288 441 C CA 0.252 59.270 59.018 -0.000 0.000 1.722 441 C CB 0.581 28.324 27.740 0.005 0.000 2.017 441 C HN 0.011 8.238 8.230 -0.006 0.000 0.488 442 Q N -1.575 118.224 119.800 -0.001 0.000 2.393 442 Q HA -0.395 4.128 4.340 -0.001 -0.184 0.235 442 Q C 0.244 176.245 176.000 0.001 0.000 0.823 442 Q CA 0.871 56.673 55.803 -0.001 0.000 1.284 442 Q CB -2.598 26.138 28.738 -0.003 0.000 1.669 442 Q HN 0.015 8.285 8.270 -0.001 0.000 0.597 443 G N -0.983 107.820 108.800 0.004 0.000 2.539 443 G HA2 -0.126 3.836 3.960 0.004 0.000 0.215 443 G HA3 -0.126 3.838 3.960 0.007 0.000 0.215 443 G C -0.864 174.041 174.900 0.008 0.000 1.141 443 G CA 0.128 45.231 45.100 0.006 0.000 0.806 443 G HN 0.004 8.225 8.290 0.005 0.072 0.533 444 R N -0.159 120.348 120.500 0.012 0.000 2.832 444 R HA 0.578 4.927 4.340 0.016 0.000 0.271 444 R C -2.855 173.454 176.300 0.014 0.000 0.996 444 R CA -3.132 52.978 56.100 0.016 0.000 0.977 444 R CB -0.146 30.168 30.300 0.024 0.000 1.168 444 R HN -0.508 7.728 8.270 0.011 0.041 0.482 445 P HA -0.148 4.390 4.420 0.002 -0.117 0.269 445 P C 0.414 177.722 177.300 0.012 0.000 1.217 445 P CA -0.257 62.850 63.100 0.012 0.000 0.783 445 P CB 0.379 32.092 31.700 0.022 0.000 0.898 446 K N 0.234 120.635 120.400 0.001 0.000 2.914 446 K HA -0.298 4.020 4.320 -0.003 0.000 0.246 446 K C -0.814 175.782 176.600 -0.007 0.000 0.949 446 K CA 0.414 56.698 56.287 -0.004 0.000 1.136 446 K CB -1.985 30.508 32.500 -0.011 0.000 0.976 446 K HN 0.130 8.376 8.250 -0.006 0.000 0.473 447 N N 2.415 121.120 118.700 0.007 0.000 2.605 447 N HA -0.152 4.553 4.740 -0.058 0.000 0.258 447 N C -1.109 174.452 175.510 0.085 0.000 1.156 447 N CA -0.418 52.629 53.050 -0.005 0.000 1.008 447 N CB -0.972 37.498 38.487 -0.028 0.000 1.354 447 N HN -0.276 8.011 8.380 0.022 0.107 0.509 448 G N 4.107 112.902 108.800 -0.008 0.000 4.003 448 G HA2 -0.160 3.827 3.960 -0.199 0.000 0.234 448 G HA3 -0.160 3.739 3.960 -0.238 -0.082 0.234 448 G C -0.694 174.064 174.900 -0.237 0.000 3.841 448 G CA -0.113 44.881 45.100 -0.177 0.000 0.584 448 G HN -0.572 7.691 8.290 -0.046 0.000 0.240 449 C N 2.896 122.104 119.300 -0.154 0.000 2.590 449 C HA -0.193 4.206 4.460 -0.103 0.000 0.411 449 C C -0.649 174.235 174.990 -0.177 0.000 1.420 449 C CA 1.051 59.993 59.018 -0.127 0.000 1.643 449 C CB 0.522 28.216 27.740 -0.076 0.000 2.528 449 C HN -0.022 8.143 8.230 -0.109 0.000 0.606 450 I N 8.822 129.293 120.570 -0.166 0.000 2.437 450 I HA 0.554 4.769 4.170 -0.209 -0.170 0.298 450 I C -0.917 175.076 176.117 -0.206 0.000 0.984 450 I CA -0.774 60.412 61.300 -0.190 0.000 1.214 450 I CB 1.556 39.450 38.000 -0.177 0.000 1.365 450 I HN -0.283 7.852 8.210 -0.125 0.000 0.469 451 V N 5.149 124.953 119.914 -0.184 0.000 2.638 451 V HA 0.395 4.482 4.120 -0.269 -0.129 0.306 451 V C -1.691 174.354 176.094 -0.082 0.000 1.052 451 V CA -0.908 61.290 62.300 -0.171 0.000 0.885 451 V CB 3.179 34.955 31.823 -0.079 0.000 0.999 451 V HN 0.559 8.660 8.190 -0.147 0.000 0.424 452 H N 4.501 123.576 119.070 0.008 0.000 2.786 452 H HA 0.548 5.106 4.556 0.003 0.000 0.284 452 H C 0.463 175.795 175.328 0.006 0.000 1.104 452 H CA -2.948 53.105 56.048 0.010 0.000 1.339 452 H CB -0.977 28.799 29.762 0.023 0.000 1.427 452 H HN 0.609 8.782 8.280 -0.178 0.000 0.497 453 G N 5.135 114.011 108.800 0.127 0.000 3.879 453 G HA2 -0.499 3.492 3.960 0.052 0.000 0.318 453 G HA3 -0.499 3.501 3.960 0.066 0.000 0.318 453 G C 0.051 174.988 174.900 0.061 0.000 1.344 453 G CA 2.028 47.172 45.100 0.074 0.000 1.024 453 G HN 0.352 8.703 8.290 0.102 0.000 0.681 454 K N 2.834 123.276 120.400 0.070 0.000 2.438 454 K HA 0.229 4.569 4.320 0.034 0.000 0.206 454 K C -0.521 176.112 176.600 0.056 0.000 1.081 454 K CA -0.128 56.188 56.287 0.048 0.000 1.053 454 K CB 1.545 34.063 32.500 0.031 0.000 0.908 454 K HN 0.247 8.549 8.250 0.086 0.000 0.556 455 T N -1.464 113.158 114.554 0.113 0.000 2.907 455 T HA 0.233 4.607 4.350 0.040 0.000 0.290 455 T C -1.903 172.817 174.700 0.033 0.000 1.066 455 T CA -1.808 60.359 62.100 0.112 0.000 1.012 455 T CB 3.129 72.101 68.868 0.173 0.000 1.184 455 T HN -0.573 7.772 8.240 0.175 0.000 0.522 456 G N -0.196 108.529 108.800 -0.125 0.000 2.687 456 G HA2 0.387 3.969 3.960 -0.666 0.000 0.291 456 G HA3 0.387 4.264 3.960 -0.217 -0.046 0.291 456 G C -2.140 172.572 174.900 -0.314 0.000 1.420 456 G CA 0.052 44.950 45.100 -0.336 0.000 0.796 456 G HN -0.231 8.016 8.290 -0.071 0.000 0.485 457 H N -0.855 118.045 119.070 -0.283 0.000 2.622 457 H HA 0.416 4.917 4.556 -0.092 0.000 0.363 457 H C -1.195 174.066 175.328 -0.112 0.000 1.151 457 H CA -0.182 55.774 56.048 -0.153 0.000 1.184 457 H CB 3.985 33.665 29.762 -0.137 0.000 1.643 457 H HN 0.372 8.426 8.280 -0.194 0.110 0.531 458 L N 2.900 124.165 121.223 0.069 0.000 2.333 458 L HA 0.267 4.608 4.340 0.002 0.000 0.269 458 L C -0.677 176.231 176.870 0.064 0.000 1.010 458 L CA -0.312 54.547 54.840 0.031 0.000 0.818 458 L CB 1.750 43.805 42.059 -0.007 0.000 1.306 458 L HN 0.472 8.745 8.230 0.071 0.000 0.430 459 M N -1.108 118.504 119.600 0.021 0.000 2.879 459 M HA -0.333 4.147 4.480 -0.000 0.000 0.218 459 M C -2.198 174.103 176.300 0.001 0.000 0.518 459 M CA 0.690 55.997 55.300 0.012 0.000 0.751 459 M CB -1.135 31.477 32.600 0.021 0.000 2.742 459 M HN 0.665 8.958 8.290 0.004 0.000 0.557 460 A N -4.244 118.568 122.820 -0.013 0.000 2.475 460 A HA 0.247 4.553 4.320 -0.023 0.000 0.301 460 A C -1.219 176.344 177.584 -0.035 0.000 1.059 460 A CA -1.350 50.669 52.037 -0.031 0.000 0.710 460 A CB 2.663 21.630 19.000 -0.056 0.000 1.288 460 A HN -0.380 7.761 8.150 -0.016 0.000 0.408 461 C N 0.150 119.440 119.300 -0.018 0.000 2.396 461 C HA 0.287 4.759 4.460 0.019 0.000 0.359 461 C C 0.773 175.771 174.990 0.013 0.000 1.307 461 C CA -2.123 56.904 59.018 0.015 0.000 2.392 461 C CB 1.969 29.734 27.740 0.041 0.000 2.245 461 C HN -0.115 8.107 8.230 -0.013 0.000 0.615 462 F N 2.141 122.070 119.950 -0.034 0.000 2.171 462 F HA -0.355 4.153 4.527 -0.032 0.000 0.300 462 F C 1.372 177.159 175.800 -0.022 0.000 1.090 462 F CA 4.734 62.716 58.000 -0.031 0.000 1.293 462 F CB 0.062 39.042 39.000 -0.033 0.000 1.013 462 F HN -0.002 8.434 8.300 0.226 0.000 0.486 463 T N 2.169 116.841 114.554 0.197 0.000 2.614 463 T HA -0.482 3.952 4.350 0.141 0.000 0.263 463 T C 1.768 176.503 174.700 0.057 0.000 1.055 463 T CA 5.214 67.383 62.100 0.116 0.000 1.162 463 T CB -0.172 68.739 68.868 0.072 0.000 0.863 463 T HN -0.406 7.923 8.240 0.175 0.017 0.414 464 C N 1.049 120.362 119.300 0.023 0.000 2.401 464 C HA -0.341 4.117 4.460 -0.004 0.000 0.276 464 C C 2.053 177.022 174.990 -0.035 0.000 1.233 464 C CA 4.083 63.095 59.018 -0.009 0.000 1.753 464 C CB -1.940 25.790 27.740 -0.018 0.000 2.029 464 C HN -0.407 7.839 8.230 0.026 0.000 0.478 465 A N -0.474 122.305 122.820 -0.069 0.000 1.877 465 A HA -0.378 3.875 4.320 -0.112 0.000 0.216 465 A C 1.454 178.987 177.584 -0.086 0.000 1.186 465 A CA 3.394 55.357 52.037 -0.124 0.000 0.620 465 A CB -0.966 17.883 19.000 -0.253 0.000 0.822 465 A HN 0.233 8.344 8.150 -0.065 0.000 0.443 466 K N -1.604 118.779 120.400 -0.029 0.000 2.063 466 K HA -0.373 3.958 4.320 0.019 0.000 0.208 466 K C 2.195 178.809 176.600 0.022 0.000 1.048 466 K CA 3.339 59.648 56.287 0.037 0.000 0.928 466 K CB -0.161 32.428 32.500 0.147 0.000 0.713 466 K HN -0.018 8.121 8.250 -0.003 0.109 0.442 467 K N -1.196 119.214 120.400 0.017 0.000 2.009 467 K HA -0.349 3.980 4.320 0.014 0.000 0.210 467 K C 2.523 179.121 176.600 -0.004 0.000 1.049 467 K CA 3.411 59.703 56.287 0.008 0.000 0.929 467 K CB -0.025 32.478 32.500 0.006 0.000 0.714 467 K HN -0.197 8.065 8.250 0.021 0.000 0.440 468 L N -3.036 118.176 121.223 -0.017 0.000 2.131 468 L HA -0.274 4.056 4.340 -0.017 0.000 0.210 468 L C 1.323 178.183 176.870 -0.017 0.000 1.092 468 L CA 3.510 58.336 54.840 -0.023 0.000 0.759 468 L CB -0.662 41.374 42.059 -0.038 0.000 0.903 468 L HN -0.136 8.080 8.230 -0.023 0.000 0.435 469 K N -0.027 120.362 120.400 -0.018 0.000 2.025 469 K HA -0.325 3.989 4.320 -0.010 0.000 0.207 469 K C 2.732 179.333 176.600 0.002 0.000 1.049 469 K CA 3.367 59.648 56.287 -0.011 0.000 0.933 469 K CB -0.198 32.292 32.500 -0.017 0.000 0.714 469 K HN 0.008 8.146 8.250 -0.025 0.097 0.438 470 K N -0.648 119.757 120.400 0.007 0.000 2.103 470 K HA -0.247 4.081 4.320 0.013 0.000 0.207 470 K C 2.102 178.706 176.600 0.006 0.000 1.048 470 K CA 2.369 58.662 56.287 0.011 0.000 0.930 470 K CB -0.371 32.138 32.500 0.015 0.000 0.716 470 K HN -0.147 8.108 8.250 0.008 0.000 0.444 471 R N -2.727 117.774 120.500 0.002 0.000 2.276 471 R HA -0.088 4.252 4.340 0.001 0.000 0.203 471 R C 0.053 176.352 176.300 -0.001 0.000 1.017 471 R CA -0.721 55.379 56.100 -0.000 0.000 1.010 471 R CB -0.303 29.995 30.300 -0.003 0.000 0.900 471 R HN -0.545 7.715 8.270 0.001 0.011 0.469 472 N N -1.390 117.310 118.700 0.000 0.000 2.727 472 N HA -0.421 4.380 4.740 0.003 -0.059 0.249 472 N C -0.698 174.812 175.510 -0.000 0.000 1.048 472 N CA 1.108 54.160 53.050 0.002 0.000 0.714 472 N CB -1.190 37.299 38.487 0.003 0.000 0.959 472 N HN -0.218 7.950 8.380 0.001 0.212 0.544 473 K N -0.196 120.202 120.400 -0.003 0.000 2.379 473 K HA 0.151 4.467 4.320 -0.007 0.000 0.284 473 K C -1.926 174.673 176.600 -0.002 0.000 1.044 473 K CA -1.477 54.806 56.287 -0.007 0.000 0.974 473 K CB 0.868 33.359 32.500 -0.015 0.000 0.962 473 K HN 0.110 8.345 8.250 -0.005 0.011 0.474 474 P HA -0.032 4.519 4.420 -0.000 -0.132 0.276 474 P C -0.893 176.401 177.300 -0.010 0.000 1.253 474 P CA -1.005 62.090 63.100 -0.008 0.000 0.766 474 P CB -0.144 31.545 31.700 -0.017 0.000 0.845 475 C N 6.043 125.348 119.300 0.007 0.000 2.067 475 C HA -0.193 4.260 4.460 -0.012 0.000 0.397 475 C C 0.254 175.231 174.990 -0.021 0.000 1.545 475 C CA -0.362 58.662 59.018 0.010 0.000 1.460 475 C CB -0.052 27.750 27.740 0.103 0.000 2.591 475 C HN 0.222 8.470 8.230 0.029 0.000 0.585 476 P HA -0.089 4.315 4.420 -0.027 0.000 0.239 476 P C -1.580 175.716 177.300 -0.008 0.000 1.184 476 P CA 1.809 64.885 63.100 -0.039 0.000 0.760 476 P CB -0.152 31.513 31.700 -0.059 0.000 0.884 477 V N -3.840 116.093 119.914 0.031 0.000 3.161 477 V HA 0.090 4.244 4.120 0.057 0.000 0.221 477 V C 0.715 176.863 176.094 0.089 0.000 1.296 477 V CA 1.697 64.053 62.300 0.092 0.000 1.306 477 V CB 1.317 33.261 31.823 0.201 0.000 1.171 477 V HN -0.713 7.409 8.190 0.027 0.084 0.513 478 C N -1.685 117.694 119.300 0.131 0.000 2.481 478 C HA -0.001 4.466 4.460 0.012 0.000 0.275 478 C C 0.384 175.325 174.990 -0.081 0.000 1.419 478 C CA 0.427 59.453 59.018 0.013 0.000 1.773 478 C CB -0.464 27.261 27.740 -0.025 0.000 1.862 478 C HN -0.403 7.982 8.230 0.259 0.000 0.530 479 R N -5.747 114.720 120.500 -0.055 0.000 4.016 479 R HA -0.440 4.032 4.340 -0.040 -0.156 0.385 479 R C -1.404 174.836 176.300 -0.100 0.000 1.158 479 R CA 1.264 57.327 56.100 -0.061 0.000 1.117 479 R CB -2.763 27.512 30.300 -0.042 0.000 1.635 479 R HN -0.296 7.912 8.270 -0.010 0.056 0.560 480 Q N -1.621 118.055 119.800 -0.206 0.000 2.259 480 Q HA 0.401 4.655 4.340 -0.143 0.000 0.249 480 Q C -1.498 174.448 176.000 -0.091 0.000 0.914 480 Q CA -3.432 52.234 55.803 -0.229 0.000 0.904 480 Q CB 0.036 28.470 28.738 -0.507 0.000 1.213 480 Q HN -0.257 7.758 8.270 -0.282 0.085 0.428 481 P HA 0.098 4.533 4.420 0.026 0.000 0.276 481 P C -0.453 176.896 177.300 0.081 0.000 1.243 481 P CA -0.481 62.634 63.100 0.024 0.000 0.768 481 P CB 0.043 31.748 31.700 0.010 0.000 0.856 482 I N -0.551 120.079 120.570 0.100 0.000 2.779 482 I HA -0.171 4.102 4.170 0.171 0.000 0.285 482 I C -0.869 175.276 176.117 0.047 0.000 1.134 482 I CA 0.522 61.882 61.300 0.099 0.000 1.398 482 I CB 0.152 38.181 38.000 0.048 0.000 1.404 482 I HN -0.381 7.874 8.210 0.075 0.000 0.587 483 Q N 3.537 123.356 119.800 0.033 0.000 2.532 483 Q HA 0.160 4.512 4.340 0.020 0.000 0.247 483 Q C -0.560 175.438 176.000 -0.002 0.000 0.872 483 Q CA 0.553 56.367 55.803 0.018 0.000 0.963 483 Q CB 4.000 32.755 28.738 0.027 0.000 1.159 483 Q HN 0.494 8.784 8.270 0.033 0.000 0.598 484 M N -6.291 113.292 119.600 -0.027 0.000 2.721 484 M HA 0.359 4.821 4.480 -0.030 0.000 0.271 484 M C -2.272 173.959 176.300 -0.115 0.000 1.259 484 M CA -0.215 55.058 55.300 -0.044 0.000 0.835 484 M CB 3.684 36.274 32.600 -0.017 0.000 1.689 484 M HN -0.713 7.556 8.290 -0.034 0.000 0.470 485 I N -1.147 119.328 120.570 -0.158 0.000 2.582 485 I HA 0.757 4.914 4.170 -0.344 -0.193 0.292 485 I C -0.852 175.144 176.117 -0.202 0.000 1.066 485 I CA -1.036 60.040 61.300 -0.373 0.000 1.053 485 I CB 3.145 40.640 38.000 -0.842 0.000 1.241 485 I HN -0.022 8.142 8.210 -0.076 0.000 0.421 486 V N 4.855 124.680 119.914 -0.148 0.000 2.823 486 V HA 0.237 4.485 4.120 0.212 0.000 0.312 486 V C -1.093 175.119 176.094 0.196 0.000 1.072 486 V CA -2.213 60.143 62.300 0.093 0.000 0.937 486 V CB 4.342 36.189 31.823 0.039 0.000 1.013 486 V HN 0.365 8.408 8.190 -0.244 0.000 0.430 487 L N 5.424 126.806 121.223 0.265 0.000 2.565 487 L HA 0.033 4.595 4.340 0.140 -0.138 0.275 487 L C 0.063 176.814 176.870 -0.198 0.000 1.137 487 L CA 0.032 54.921 54.840 0.081 0.000 0.915 487 L CB -2.331 39.802 42.059 0.122 0.000 1.232 487 L HN 0.484 8.866 8.230 0.253 0.000 0.473 488 T N 7.293 121.637 114.554 -0.349 0.000 2.767 488 T HA 0.222 4.493 4.350 -0.133 0.000 0.284 488 T C -1.195 173.190 174.700 -0.525 0.000 0.973 488 T CA -0.224 61.699 62.100 -0.296 0.000 0.996 488 T CB 1.102 69.903 68.868 -0.110 0.000 0.927 488 T HN 0.346 8.728 8.240 -0.230 -0.280 0.456 489 Y N 4.774 125.134 120.300 0.100 0.000 2.686 489 Y HA 0.238 4.905 4.550 0.194 0.000 0.330 489 Y C -0.754 175.248 175.900 0.170 0.000 1.082 489 Y CA -1.517 56.648 58.100 0.109 0.000 1.158 489 Y CB 1.932 40.381 38.460 -0.018 0.000 1.333 489 Y HN 0.129 8.464 8.280 0.091 0.000 0.519 490 F N -1.674 118.391 119.950 0.191 0.000 2.611 490 F HA 0.895 5.470 4.527 0.081 0.000 0.324 490 F C -2.296 173.553 175.800 0.080 0.000 1.061 490 F CA -2.578 55.483 58.000 0.101 0.000 0.954 490 F CB -0.955 38.087 39.000 0.070 0.000 1.301 490 F HN 0.161 8.466 8.300 0.008 0.000 0.482 491 P HA 0.000 4.413 4.420 -0.011 0.000 0.216 491 P CA 0.000 63.126 63.100 0.043 0.000 0.800 491 P CB 0.000 31.765 31.700 0.108 0.000 0.726