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 2v9v_1_A DATA FIRST_RESID 377 DATA SEQUENCE GSPEKILAQI IQEHREGLDW QEAATRASLS LEETRKLLQS MAAAGQVTLL DATA SEQUENCE RVENDLYAIS TERYQAWWQA VTRALEEFHS RYPLRPGLAR EELRSRYFSR DATA SEQUENCE LPARVYQALL EEWSREGRLQ LAANTVALAG FTPSF 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 377 G HA2 0.000 nan 3.960 nan 0.000 0.244 377 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 377 G C 0.000 174.904 174.900 0.007 0.000 0.946 377 G CA 0.000 45.104 45.100 0.007 0.000 0.502 378 S N -0.864 114.841 115.700 0.008 0.000 2.600 378 S HA 0.314 4.789 4.470 0.007 0.000 0.265 378 S C -0.099 174.507 174.600 0.010 0.000 1.325 378 S CA -0.897 57.308 58.200 0.008 0.000 1.002 378 S CB -0.143 63.062 63.200 0.008 0.000 0.921 378 S HN -0.149 8.166 8.310 0.008 0.000 0.554 379 P HA -0.246 4.181 4.420 0.011 0.000 0.216 379 P C 1.657 178.967 177.300 0.015 0.000 1.150 379 P CA 2.590 65.697 63.100 0.012 0.000 0.837 379 P CB 0.195 31.902 31.700 0.011 0.000 0.786 380 E N -2.575 117.634 120.200 0.015 0.000 2.106 380 E HA -0.393 3.970 4.350 0.020 0.000 0.192 380 E C 1.805 178.415 176.600 0.017 0.000 0.984 380 E CA 3.284 59.694 56.400 0.017 0.000 0.806 380 E CB -0.477 29.232 29.700 0.015 0.000 0.750 380 E HN 0.439 8.808 8.360 0.013 0.000 0.458 381 K N -0.443 119.966 120.400 0.015 0.000 2.097 381 K HA -0.236 4.093 4.320 0.015 0.000 0.205 381 K C 2.441 179.051 176.600 0.018 0.000 1.050 381 K CA 2.974 59.270 56.287 0.015 0.000 0.938 381 K CB -0.113 32.394 32.500 0.012 0.000 0.718 381 K HN -0.854 7.404 8.250 0.013 0.000 0.442 382 I N -0.342 120.238 120.570 0.017 0.000 2.163 382 I HA -0.436 3.745 4.170 0.019 0.000 0.243 382 I C 2.039 178.171 176.117 0.025 0.000 1.085 382 I CA 4.015 65.326 61.300 0.019 0.000 1.347 382 I CB -0.047 37.962 38.000 0.015 0.000 1.044 382 I HN -0.201 8.018 8.210 0.015 0.000 0.408 383 L N -0.136 121.102 121.223 0.026 0.000 2.017 383 L HA -0.330 4.031 4.340 0.034 0.000 0.208 383 L C 1.037 177.929 176.870 0.037 0.000 1.073 383 L CA 2.977 57.837 54.840 0.033 0.000 0.745 383 L CB -0.510 41.570 42.059 0.035 0.000 0.894 383 L HN -0.427 7.818 8.230 0.023 0.000 0.432 384 A N -1.515 121.324 122.820 0.031 0.000 1.908 384 A HA -0.393 3.946 4.320 0.032 0.000 0.218 384 A C 1.861 179.466 177.584 0.035 0.000 1.181 384 A CA 3.039 55.095 52.037 0.030 0.000 0.627 384 A CB -0.761 18.253 19.000 0.023 0.000 0.818 384 A HN -0.221 7.945 8.150 0.027 0.000 0.445 385 Q N -0.897 118.922 119.800 0.033 0.000 2.084 385 Q HA -0.310 4.049 4.340 0.032 0.000 0.202 385 Q C 2.468 178.498 176.000 0.050 0.000 0.978 385 Q CA 3.071 58.894 55.803 0.035 0.000 0.844 385 Q CB -0.022 28.732 28.738 0.027 0.000 0.898 385 Q HN -0.534 7.754 8.270 0.029 0.000 0.426 386 I N -0.406 120.198 120.570 0.056 0.000 2.151 386 I HA -0.520 3.701 4.170 0.086 0.000 0.243 386 I C 1.953 178.140 176.117 0.117 0.000 1.080 386 I CA 4.200 65.549 61.300 0.082 0.000 1.339 386 I CB -0.007 38.034 38.000 0.070 0.000 1.039 386 I HN -0.506 7.733 8.210 0.048 0.000 0.409 387 I N -2.716 117.908 120.570 0.090 0.000 2.163 387 I HA -0.407 3.829 4.170 0.110 0.000 0.240 387 I C 2.893 179.070 176.117 0.100 0.000 1.081 387 I CA 1.670 63.026 61.300 0.094 0.000 1.353 387 I CB -1.360 36.678 38.000 0.062 0.000 1.054 387 I HN -0.536 7.716 8.210 0.070 0.000 0.407 388 Q N -1.117 118.724 119.800 0.068 0.000 2.167 388 Q HA -0.252 4.114 4.340 0.043 0.000 0.202 388 Q C 2.793 178.826 176.000 0.056 0.000 0.970 388 Q CA 2.559 58.392 55.803 0.049 0.000 0.855 388 Q CB -0.567 28.189 28.738 0.030 0.000 0.911 388 Q HN 0.221 8.526 8.270 0.059 0.000 0.438 389 E N -3.113 117.126 120.200 0.066 0.000 2.371 389 E HA -0.156 4.213 4.350 0.031 0.000 0.194 389 E C -0.098 176.541 176.600 0.065 0.000 1.012 389 E CA 0.430 56.860 56.400 0.049 0.000 0.860 389 E CB 0.338 30.056 29.700 0.030 0.000 0.811 389 E HN -0.596 7.795 8.360 0.071 0.012 0.502 390 H N 0.614 119.715 119.070 0.051 0.000 2.742 390 H HA -0.004 4.598 4.556 0.077 0.000 0.302 390 H C 0.010 175.396 175.328 0.096 0.000 1.069 390 H CA 0.421 56.516 56.048 0.079 0.000 1.446 390 H CB 0.651 30.471 29.762 0.097 0.000 1.462 390 H HN -0.636 7.517 8.280 0.227 0.263 0.499 391 R N 4.394 124.966 120.500 0.120 0.000 2.235 391 R HA -0.290 4.139 4.340 0.148 0.000 0.213 391 R C 0.298 176.856 176.300 0.431 0.000 1.059 391 R CA 3.090 59.313 56.100 0.205 0.000 0.997 391 R CB 0.362 30.731 30.300 0.115 0.000 0.884 391 R HN 0.622 8.813 8.270 -0.132 0.000 0.462 392 E N -4.102 116.500 120.200 0.669 0.000 2.541 392 E HA 0.035 4.912 4.350 0.878 0.000 0.219 392 E C -0.203 176.736 176.600 0.566 0.000 0.922 392 E CA -0.538 56.275 56.400 0.689 0.000 1.095 392 E CB 1.454 31.479 29.700 0.542 0.000 1.112 392 E HN -0.711 8.201 8.360 0.962 0.024 0.516 393 G N -0.542 108.472 108.800 0.356 0.000 2.781 393 G HA2 -0.296 3.852 3.960 0.272 0.000 0.683 393 G HA3 -0.296 3.734 3.960 0.026 -0.054 0.683 393 G C -1.827 172.971 174.900 -0.169 0.000 1.390 393 G CA -0.113 45.046 45.100 0.098 0.000 0.850 393 G HN -0.648 7.942 8.290 0.501 0.000 0.557 394 L N -6.451 114.701 121.223 -0.118 0.000 2.540 394 L HA 0.579 4.776 4.340 -0.240 0.000 0.256 394 L C -2.026 174.537 176.870 -0.513 0.000 1.001 394 L CA -1.951 52.701 54.840 -0.313 0.000 0.843 394 L CB 3.573 45.401 42.059 -0.386 0.000 1.436 394 L HN 0.031 8.247 8.230 -0.024 0.000 0.410 395 D N 1.018 120.926 120.400 -0.820 0.000 2.493 395 D HA -0.097 4.216 4.640 -0.827 -0.170 0.240 395 D C 1.663 177.843 176.300 -0.201 0.000 1.142 395 D CA 1.191 54.803 54.000 -0.646 0.000 0.872 395 D CB 0.647 41.159 40.800 -0.481 0.000 1.173 395 D HN 0.114 8.035 8.370 -0.749 0.000 0.467 396 W N 5.999 127.156 121.300 -0.238 0.000 2.364 396 W HA -0.387 4.201 4.660 -0.119 0.000 0.281 396 W C 1.171 177.628 176.519 -0.102 0.000 1.219 396 W CA 2.479 59.746 57.345 -0.129 0.000 1.220 396 W CB -1.119 28.294 29.460 -0.080 0.000 1.127 396 W HN 0.543 8.935 8.180 0.354 0.000 0.556 397 Q N -1.184 118.176 119.800 -0.733 0.000 2.245 397 Q HA -0.366 3.450 4.340 -0.873 0.000 0.201 397 Q C 2.282 178.073 176.000 -0.348 0.000 0.955 397 Q CA 2.954 58.321 55.803 -0.726 0.000 0.870 397 Q CB -0.483 27.829 28.738 -0.709 0.000 0.945 397 Q HN -0.186 7.975 8.270 -0.666 -0.291 0.461 398 E N 1.009 121.062 120.200 -0.245 0.000 2.072 398 E HA -0.264 4.006 4.350 -0.134 0.000 0.190 398 E C 1.615 178.153 176.600 -0.104 0.000 0.982 398 E CA 2.540 58.851 56.400 -0.149 0.000 0.803 398 E CB -0.599 29.024 29.700 -0.128 0.000 0.755 398 E HN -0.531 7.675 8.360 -0.257 0.000 0.453 399 A N -1.006 121.759 122.820 -0.091 0.000 1.883 399 A HA -0.279 4.034 4.320 -0.013 0.000 0.217 399 A C 1.997 179.557 177.584 -0.040 0.000 1.186 399 A CA 3.066 55.084 52.037 -0.031 0.000 0.624 399 A CB -0.947 18.061 19.000 0.013 0.000 0.822 399 A HN -0.291 7.796 8.150 -0.106 0.000 0.444 400 A N -1.654 121.112 122.820 -0.090 0.000 1.883 400 A HA -0.285 4.006 4.320 -0.048 0.000 0.217 400 A C 2.192 179.725 177.584 -0.086 0.000 1.186 400 A CA 2.913 54.892 52.037 -0.097 0.000 0.624 400 A CB -0.789 18.089 19.000 -0.203 0.000 0.822 400 A HN -0.080 7.989 8.150 -0.134 0.000 0.444 401 T N 0.804 115.294 114.554 -0.107 0.000 2.708 401 T HA -0.306 3.998 4.350 -0.077 0.000 0.266 401 T C 2.719 177.392 174.700 -0.044 0.000 1.037 401 T CA 4.883 66.936 62.100 -0.079 0.000 1.146 401 T CB -0.360 68.456 68.868 -0.086 0.000 0.865 401 T HN -0.367 7.792 8.240 -0.135 0.000 0.435 402 R N 0.517 120.998 120.500 -0.033 0.000 2.120 402 R HA -0.236 4.100 4.340 -0.007 0.000 0.234 402 R C 1.592 177.890 176.300 -0.003 0.000 1.123 402 R CA 2.689 58.784 56.100 -0.008 0.000 0.975 402 R CB -0.333 29.973 30.300 0.010 0.000 0.866 402 R HN -0.171 8.075 8.270 -0.039 0.000 0.446 403 A N -3.862 118.953 122.820 -0.007 0.000 2.275 403 A HA 0.165 4.488 4.320 0.005 0.000 0.212 403 A C -0.995 176.585 177.584 -0.006 0.000 1.201 403 A CA -0.365 51.672 52.037 -0.000 0.000 0.843 403 A CB 0.071 19.076 19.000 0.007 0.000 0.873 403 A HN -0.538 7.585 8.150 -0.014 0.018 0.492 404 S N -3.220 112.470 115.700 -0.016 0.000 3.682 404 S HA -0.275 4.180 4.470 -0.026 0.000 0.354 404 S C -0.536 174.053 174.600 -0.018 0.000 1.034 404 S CA 0.957 59.146 58.200 -0.019 0.000 1.084 404 S CB -2.435 60.758 63.200 -0.012 0.000 0.903 404 S HN -0.489 7.639 8.310 -0.022 0.169 0.470 405 L N -1.454 119.755 121.223 -0.023 0.000 2.333 405 L HA 0.254 4.589 4.340 -0.009 0.000 0.269 405 L C 0.223 177.074 176.870 -0.032 0.000 1.010 405 L CA -1.418 53.413 54.840 -0.015 0.000 0.818 405 L CB 3.270 45.330 42.059 0.001 0.000 1.306 405 L HN -0.432 7.779 8.230 -0.031 0.000 0.430 406 S N 1.665 117.355 115.700 -0.018 0.000 2.580 406 S HA -0.059 4.384 4.470 -0.045 0.000 0.266 406 S C 1.070 175.656 174.600 -0.022 0.000 1.354 406 S CA -0.337 57.849 58.200 -0.025 0.000 1.008 406 S CB 0.775 63.974 63.200 -0.001 0.000 0.898 406 S HN 0.305 8.610 8.310 -0.007 0.000 0.555 407 L N 1.494 122.685 121.223 -0.053 0.000 2.046 407 L HA -0.265 4.015 4.340 -0.101 0.000 0.208 407 L C 2.172 179.164 176.870 0.203 0.000 1.077 407 L CA 2.970 57.799 54.840 -0.018 0.000 0.747 407 L CB -1.645 40.341 42.059 -0.122 0.000 0.896 407 L HN 0.447 8.635 8.230 -0.071 0.000 0.432 408 E N 0.087 120.362 120.200 0.125 0.000 2.049 408 E HA -0.530 3.902 4.350 0.137 0.000 0.198 408 E C 2.035 178.698 176.600 0.105 0.000 1.007 408 E CA 3.644 60.113 56.400 0.115 0.000 0.809 408 E CB -0.333 29.406 29.700 0.065 0.000 0.749 408 E HN 0.412 8.820 8.360 0.079 0.000 0.450 409 E N -1.628 118.619 120.200 0.077 0.000 2.072 409 E HA -0.285 4.096 4.350 0.053 0.000 0.191 409 E C 2.421 179.073 176.600 0.086 0.000 0.985 409 E CA 2.946 59.384 56.400 0.062 0.000 0.801 409 E CB -0.049 29.674 29.700 0.039 0.000 0.750 409 E HN -0.435 7.963 8.360 0.062 0.000 0.452 410 T N 2.060 116.687 114.554 0.123 0.000 2.684 410 T HA -0.393 4.029 4.350 0.119 0.000 0.267 410 T C 1.589 176.412 174.700 0.204 0.000 1.036 410 T CA 5.284 67.486 62.100 0.169 0.000 1.148 410 T CB -0.535 68.455 68.868 0.202 0.000 0.863 410 T HN -0.283 8.026 8.240 0.115 0.000 0.436 411 R N 1.150 121.803 120.500 0.255 0.000 2.083 411 R HA -0.440 3.905 4.340 0.008 0.000 0.237 411 R C 1.884 178.198 176.300 0.023 0.000 1.137 411 R CA 3.723 59.875 56.100 0.087 0.000 0.951 411 R CB -0.080 30.248 30.300 0.047 0.000 0.851 411 R HN 0.040 8.509 8.270 0.331 0.000 0.434 412 K N -1.032 119.394 120.400 0.043 0.000 2.057 412 K HA -0.288 4.033 4.320 0.002 0.000 0.206 412 K C 2.731 179.341 176.600 0.016 0.000 1.050 412 K CA 3.249 59.547 56.287 0.018 0.000 0.935 412 K CB -0.220 32.293 32.500 0.023 0.000 0.715 412 K HN -0.553 7.736 8.250 0.066 0.000 0.439 413 L N -0.598 120.644 121.223 0.032 0.000 2.056 413 L HA -0.284 4.067 4.340 0.018 0.000 0.207 413 L C 2.346 179.227 176.870 0.018 0.000 1.078 413 L CA 2.983 57.839 54.840 0.026 0.000 0.749 413 L CB -0.063 42.018 42.059 0.037 0.000 0.901 413 L HN -0.247 8.011 8.230 0.046 0.000 0.433 414 L N -1.995 119.241 121.223 0.022 0.000 2.079 414 L HA -0.458 3.885 4.340 0.006 0.000 0.210 414 L C 2.251 179.104 176.870 -0.029 0.000 1.081 414 L CA 3.144 57.983 54.840 -0.002 0.000 0.752 414 L CB -0.745 41.307 42.059 -0.011 0.000 0.896 414 L HN 0.057 8.311 8.230 0.040 0.000 0.433 415 Q N -0.779 118.999 119.800 -0.036 0.000 2.045 415 Q HA -0.496 3.811 4.340 -0.056 0.000 0.206 415 Q C 2.279 178.262 176.000 -0.028 0.000 0.991 415 Q CA 3.672 59.450 55.803 -0.042 0.000 0.851 415 Q CB -0.325 28.391 28.738 -0.038 0.000 0.911 415 Q HN 0.051 8.301 8.270 -0.032 0.000 0.418 416 S N -0.616 115.075 115.700 -0.016 0.000 2.356 416 S HA -0.323 4.140 4.470 -0.012 0.000 0.223 416 S C 2.451 177.044 174.600 -0.010 0.000 1.032 416 S CA 3.244 61.438 58.200 -0.010 0.000 1.005 416 S CB -0.218 62.981 63.200 -0.002 0.000 0.867 416 S HN -0.694 7.610 8.310 -0.011 0.000 0.449 417 M N 1.426 121.021 119.600 -0.008 0.000 2.159 417 M HA -0.452 4.025 4.480 -0.004 0.000 0.263 417 M C 1.691 177.980 176.300 -0.018 0.000 1.063 417 M CA 4.094 59.389 55.300 -0.008 0.000 1.110 417 M CB -0.050 32.550 32.600 -0.001 0.000 1.374 417 M HN -0.190 8.097 8.290 -0.006 0.000 0.411 418 A N -0.573 122.230 122.820 -0.028 0.000 1.898 418 A HA -0.076 4.387 4.320 -0.043 -0.168 0.216 418 A C 2.588 180.152 177.584 -0.033 0.000 1.181 418 A CA 2.659 54.672 52.037 -0.040 0.000 0.620 418 A CB -0.698 18.269 19.000 -0.055 0.000 0.819 418 A HN 0.090 8.223 8.150 -0.029 0.000 0.442 419 A N -0.721 122.083 122.820 -0.027 0.000 1.972 419 A HA -0.241 4.065 4.320 -0.023 0.000 0.219 419 A C 1.395 178.970 177.584 -0.015 0.000 1.169 419 A CA 2.526 54.550 52.037 -0.021 0.000 0.635 419 A CB -0.418 18.571 19.000 -0.018 0.000 0.810 419 A HN -0.004 8.130 8.150 -0.027 0.000 0.446 420 A N -3.796 119.017 122.820 -0.013 0.000 2.238 420 A HA 0.010 4.327 4.320 -0.006 0.000 0.208 420 A C 0.097 177.676 177.584 -0.007 0.000 1.177 420 A CA -0.211 51.821 52.037 -0.008 0.000 0.804 420 A CB 0.151 19.148 19.000 -0.005 0.000 0.823 420 A HN -0.350 7.777 8.150 -0.013 0.015 0.482 421 G N -1.639 107.153 108.800 -0.013 0.000 2.160 421 G HA2 -0.367 3.590 3.960 -0.006 0.000 0.251 421 G HA3 -0.367 3.582 3.960 -0.019 0.000 0.251 421 G C 0.610 175.504 174.900 -0.010 0.000 1.008 421 G CA 0.775 45.867 45.100 -0.012 0.000 0.724 421 G HN -0.443 7.659 8.290 -0.018 0.177 0.514 422 Q N -3.235 116.558 119.800 -0.012 0.000 2.396 422 Q HA 0.176 4.514 4.340 -0.003 0.000 0.220 422 Q C -0.971 175.022 176.000 -0.011 0.000 0.900 422 Q CA 0.071 55.870 55.803 -0.007 0.000 0.925 422 Q CB 1.773 30.511 28.738 -0.001 0.000 1.065 422 Q HN 0.012 8.274 8.270 -0.014 0.000 0.535 423 V N -0.133 119.767 119.914 -0.023 0.000 2.656 423 V HA 0.467 4.722 4.120 -0.021 -0.148 0.307 423 V C -1.001 175.053 176.094 -0.068 0.000 1.051 423 V CA -1.435 60.848 62.300 -0.029 0.000 0.893 423 V CB 3.452 35.268 31.823 -0.012 0.000 0.999 423 V HN -0.846 7.327 8.190 -0.028 0.000 0.426 424 T N 8.514 123.011 114.554 -0.095 0.000 2.824 424 T HA 0.366 4.600 4.350 -0.195 0.000 0.280 424 T C -1.782 172.857 174.700 -0.101 0.000 0.995 424 T CA -0.538 61.453 62.100 -0.182 0.000 1.009 424 T CB 1.184 69.810 68.868 -0.404 0.000 0.955 424 T HN 0.723 8.922 8.240 -0.067 0.000 0.452 425 L N 5.408 126.565 121.223 -0.110 0.000 2.313 425 L HA 0.806 5.319 4.340 -0.029 -0.190 0.283 425 L C -0.797 176.040 176.870 -0.055 0.000 1.013 425 L CA -1.273 53.527 54.840 -0.067 0.000 0.816 425 L CB 2.067 44.064 42.059 -0.103 0.000 1.236 425 L HN 0.279 8.426 8.230 -0.138 0.000 0.419 426 L N 4.156 125.385 121.223 0.010 0.000 2.439 426 L HA 0.488 4.812 4.340 -0.027 0.000 0.270 426 L C -1.794 175.103 176.870 0.045 0.000 0.972 426 L CA -1.099 53.748 54.840 0.012 0.000 0.836 426 L CB 3.831 45.910 42.059 0.033 0.000 1.255 426 L HN 0.520 8.783 8.230 0.055 0.000 0.404 427 R N 5.633 126.135 120.500 0.003 0.000 2.438 427 R HA 0.158 4.691 4.340 0.069 -0.152 0.287 427 R C -0.915 175.391 176.300 0.010 0.000 1.077 427 R CA 0.813 56.929 56.100 0.026 0.000 1.034 427 R CB 0.629 30.927 30.300 -0.004 0.000 0.993 427 R HN 0.234 8.490 8.270 -0.024 0.000 0.459 428 V N 3.975 123.923 119.914 0.057 0.000 2.419 428 V HA 0.202 4.288 4.120 -0.057 0.000 0.287 428 V C -0.625 175.495 176.094 0.043 0.000 1.017 428 V CA -1.343 60.955 62.300 -0.003 0.000 0.844 428 V CB 1.698 33.460 31.823 -0.103 0.000 1.011 428 V HN 0.270 8.534 8.190 0.123 0.000 0.429 429 E N 6.736 126.941 120.200 0.008 0.000 3.304 429 E HA -0.546 3.807 4.350 0.006 0.000 0.365 429 E C -0.062 176.563 176.600 0.042 0.000 1.512 429 E CA 2.338 58.751 56.400 0.021 0.000 1.642 429 E CB -0.816 28.900 29.700 0.027 0.000 1.738 429 E HN 0.457 8.806 8.360 -0.018 0.000 0.483 430 N N 0.259 118.993 118.700 0.056 0.000 2.327 430 N HA 0.082 4.855 4.740 0.055 0.000 0.231 430 N C -0.841 174.729 175.510 0.099 0.000 1.130 430 N CA -0.185 52.903 53.050 0.064 0.000 0.845 430 N CB -0.351 38.166 38.487 0.050 0.000 1.073 430 N HN 0.141 8.555 8.380 0.056 0.000 0.496 431 D N -2.255 118.227 120.400 0.136 0.000 2.374 431 D HA 0.346 5.097 4.640 0.185 0.000 0.239 431 D C -2.277 174.159 176.300 0.227 0.000 0.991 431 D CA -1.155 52.962 54.000 0.195 0.000 0.960 431 D CB 3.989 44.933 40.800 0.240 0.000 1.284 431 D HN -0.233 8.142 8.370 0.134 0.075 0.512 432 L N 0.521 121.900 121.223 0.261 0.000 2.376 432 L HA 0.440 5.020 4.340 0.179 -0.132 0.275 432 L C -2.389 174.617 176.870 0.226 0.000 0.987 432 L CA -0.650 54.306 54.840 0.193 0.000 0.828 432 L CB 2.441 44.469 42.059 -0.051 0.000 1.249 432 L HN 0.279 8.691 8.230 0.303 0.000 0.409 433 Y N 5.299 125.643 120.300 0.074 0.000 2.387 433 Y HA 0.455 5.245 4.550 0.115 -0.170 0.336 433 Y C -1.242 174.688 175.900 0.052 0.000 1.067 433 Y CA -1.560 56.589 58.100 0.083 0.000 1.114 433 Y CB 3.545 42.048 38.460 0.071 0.000 1.208 433 Y HN 0.595 9.102 8.280 0.378 0.000 0.458 434 A N 1.980 124.892 122.820 0.152 0.000 2.288 434 A HA 0.851 5.370 4.320 0.077 -0.153 0.320 434 A C -1.975 175.682 177.584 0.123 0.000 1.217 434 A CA -1.997 50.101 52.037 0.101 0.000 0.840 434 A CB 2.391 21.438 19.000 0.078 0.000 1.179 434 A HN 0.766 8.975 8.150 0.098 0.000 0.504 435 I N 2.875 123.511 120.570 0.109 0.000 2.582 435 I HA 0.184 4.440 4.170 0.144 0.000 0.292 435 I C -1.246 174.903 176.117 0.054 0.000 1.066 435 I CA -1.618 59.760 61.300 0.129 0.000 1.053 435 I CB 4.297 42.436 38.000 0.233 0.000 1.241 435 I HN 0.374 8.627 8.210 0.072 0.000 0.421 436 S N 6.363 122.086 115.700 0.037 0.000 2.575 436 S HA -0.040 4.436 4.470 0.011 0.000 0.295 436 S C 1.661 176.256 174.600 -0.009 0.000 1.267 436 S CA 0.770 58.972 58.200 0.004 0.000 1.074 436 S CB 0.320 63.514 63.200 -0.009 0.000 0.829 436 S HN 0.731 9.074 8.310 0.054 0.000 0.497 437 T N 10.254 124.806 114.554 -0.003 0.000 2.788 437 T HA -0.308 4.057 4.350 0.025 0.000 0.268 437 T C 1.443 176.178 174.700 0.060 0.000 1.044 437 T CA 4.259 66.372 62.100 0.021 0.000 1.139 437 T CB -0.074 68.792 68.868 -0.004 0.000 0.867 437 T HN 0.295 8.530 8.240 -0.007 0.000 0.454 438 E N 0.896 121.102 120.200 0.011 0.000 2.085 438 E HA -0.393 3.969 4.350 0.020 0.000 0.194 438 E C 1.980 178.541 176.600 -0.065 0.000 0.994 438 E CA 3.042 59.439 56.400 -0.006 0.000 0.801 438 E CB -0.128 29.561 29.700 -0.018 0.000 0.743 438 E HN -0.272 8.088 8.360 0.000 0.000 0.453 439 R N -1.101 119.308 120.500 -0.152 0.000 2.081 439 R HA -0.304 3.811 4.340 -0.375 0.000 0.235 439 R C 1.962 177.877 176.300 -0.641 0.000 1.131 439 R CA 2.341 58.193 56.100 -0.412 0.000 0.960 439 R CB -0.443 29.581 30.300 -0.461 0.000 0.856 439 R HN -0.815 7.383 8.270 -0.120 0.000 0.436 440 Y N -0.023 120.010 120.300 -0.445 0.000 2.181 440 Y HA -0.437 4.107 4.550 -0.010 0.000 0.288 440 Y C 2.016 178.065 175.900 0.249 0.000 1.146 440 Y CA 3.774 61.853 58.100 -0.034 0.000 1.164 440 Y CB 0.169 38.716 38.460 0.146 0.000 0.982 440 Y HN -0.388 7.857 8.280 -0.057 0.000 0.515 441 Q N -1.968 118.027 119.800 0.326 0.000 2.124 441 Q HA -0.466 4.082 4.340 0.347 0.000 0.202 441 Q C 2.403 178.485 176.000 0.137 0.000 0.977 441 Q CA 3.166 59.127 55.803 0.265 0.000 0.850 441 Q CB -0.103 28.759 28.738 0.207 0.000 0.901 441 Q HN 0.026 8.471 8.270 0.292 0.000 0.429 442 A N 0.200 123.034 122.820 0.023 0.000 1.930 442 A HA -0.163 4.134 4.320 -0.038 0.000 0.217 442 A C 1.844 179.433 177.584 0.009 0.000 1.175 442 A CA 2.690 54.703 52.037 -0.040 0.000 0.627 442 A CB -0.587 18.351 19.000 -0.104 0.000 0.815 442 A HN -0.389 7.746 8.150 -0.024 0.000 0.443 443 W N -2.138 119.172 121.300 0.017 0.000 2.333 443 W HA -0.250 4.328 4.660 -0.137 0.000 0.316 443 W C 1.579 178.052 176.519 -0.077 0.000 1.215 443 W CA 1.989 59.355 57.345 0.034 0.000 1.278 443 W CB -0.855 28.857 29.460 0.420 0.000 1.154 443 W HN -0.298 7.934 8.180 0.087 0.000 0.486 444 W N -1.160 120.106 121.300 -0.057 0.000 2.358 444 W HA -0.601 3.540 4.660 -0.866 0.000 0.303 444 W C 1.496 177.832 176.519 -0.306 0.000 1.208 444 W CA 3.159 60.203 57.345 -0.503 0.000 1.274 444 W CB 0.031 29.136 29.460 -0.592 0.000 1.138 444 W HN -0.389 7.986 8.180 0.325 0.000 0.515 445 Q N -1.846 117.719 119.800 -0.393 0.000 2.077 445 Q HA -0.546 3.495 4.340 -0.498 0.000 0.206 445 Q C 2.587 178.288 176.000 -0.499 0.000 0.989 445 Q CA 3.523 59.072 55.803 -0.425 0.000 0.853 445 Q CB -0.468 28.154 28.738 -0.194 0.000 0.907 445 Q HN -0.254 7.938 8.270 -0.130 0.000 0.418 446 A N -1.354 121.192 122.820 -0.457 0.000 1.902 446 A HA -0.277 3.726 4.320 -0.528 0.000 0.217 446 A C 1.892 179.157 177.584 -0.533 0.000 1.181 446 A CA 3.039 54.715 52.037 -0.603 0.000 0.623 446 A CB -0.530 17.895 19.000 -0.958 0.000 0.818 446 A HN -0.544 7.383 8.150 -0.372 0.000 0.443 447 V N -0.784 118.832 119.914 -0.496 0.000 2.295 447 V HA -0.449 3.594 4.120 -0.129 0.000 0.246 447 V C 2.124 177.864 176.094 -0.591 0.000 1.049 447 V CA 4.364 66.429 62.300 -0.390 0.000 1.024 447 V CB -0.685 30.929 31.823 -0.348 0.000 0.648 447 V HN -0.225 7.665 8.190 -0.500 0.000 0.447 448 T N 0.800 114.715 114.554 -1.063 0.000 2.788 448 T HA -0.369 3.579 4.350 -0.670 0.000 0.268 448 T C 1.684 176.146 174.700 -0.397 0.000 1.044 448 T CA 4.286 65.896 62.100 -0.817 0.000 1.139 448 T CB -0.264 68.007 68.868 -0.994 0.000 0.867 448 T HN -0.061 7.319 8.240 -1.433 0.000 0.454 449 R N 1.524 121.810 120.500 -0.356 0.000 2.073 449 R HA -0.227 4.196 4.340 -0.156 -0.177 0.234 449 R C 2.051 178.279 176.300 -0.121 0.000 1.134 449 R CA 3.663 59.647 56.100 -0.194 0.000 0.952 449 R CB -0.075 30.123 30.300 -0.169 0.000 0.850 449 R HN -0.433 7.578 8.270 -0.432 0.000 0.433 450 A N -0.556 122.201 122.820 -0.106 0.000 1.902 450 A HA -0.283 4.060 4.320 0.038 0.000 0.217 450 A C 2.183 179.733 177.584 -0.057 0.000 1.181 450 A CA 3.176 55.210 52.037 -0.004 0.000 0.623 450 A CB -0.569 18.501 19.000 0.117 0.000 0.818 450 A HN -0.352 7.708 8.150 -0.151 0.000 0.443 451 L N -2.526 118.603 121.223 -0.157 0.000 2.109 451 L HA -0.422 3.705 4.340 -0.355 0.000 0.207 451 L C 1.979 178.692 176.870 -0.262 0.000 1.086 451 L CA 3.031 57.697 54.840 -0.289 0.000 0.760 451 L CB -0.406 41.493 42.059 -0.267 0.000 0.910 451 L HN -0.125 7.995 8.230 -0.183 0.000 0.437 452 E N 0.084 120.231 120.200 -0.089 0.000 2.077 452 E HA -0.497 3.923 4.350 0.117 0.000 0.193 452 E C 2.323 178.937 176.600 0.025 0.000 0.989 452 E CA 3.597 60.011 56.400 0.023 0.000 0.800 452 E CB -0.070 29.639 29.700 0.015 0.000 0.746 452 E HN -0.094 8.204 8.360 -0.103 0.000 0.452 453 E N -1.550 118.650 120.200 0.001 0.000 2.077 453 E HA -0.305 4.044 4.350 -0.002 0.000 0.193 453 E C 2.316 178.930 176.600 0.025 0.000 0.989 453 E CA 2.554 58.961 56.400 0.011 0.000 0.800 453 E CB -0.480 29.229 29.700 0.015 0.000 0.746 453 E HN -0.396 7.954 8.360 -0.016 0.000 0.452 454 F N 1.629 121.512 119.950 -0.113 0.000 2.102 454 F HA -0.419 4.149 4.527 0.068 0.000 0.298 454 F C 1.943 177.723 175.800 -0.033 0.000 1.105 454 F CA 3.850 61.815 58.000 -0.058 0.000 1.239 454 F CB 0.250 39.156 39.000 -0.157 0.000 0.991 454 F HN -0.268 8.113 8.300 0.136 0.000 0.474 455 H N -1.730 117.412 119.070 0.120 0.000 2.423 455 H HA -0.189 4.329 4.556 -0.064 0.000 0.297 455 H C 2.674 178.027 175.328 0.042 0.000 1.075 455 H CA 2.524 58.571 56.048 -0.002 0.000 1.342 455 H CB -0.803 28.931 29.762 -0.046 0.000 1.395 455 H HN 0.070 8.302 8.280 -0.080 0.000 0.530 456 S N -0.228 115.536 115.700 0.108 0.000 2.371 456 S HA -0.142 4.371 4.470 0.072 0.000 0.224 456 S C 1.693 176.231 174.600 -0.102 0.000 1.029 456 S CA 2.898 61.114 58.200 0.026 0.000 0.978 456 S CB -0.217 62.986 63.200 0.004 0.000 0.833 456 S HN -0.226 8.139 8.310 0.092 0.000 0.466 457 R N 0.781 121.118 120.500 -0.272 0.000 2.119 457 R HA -0.092 3.979 4.340 -0.447 0.000 0.222 457 R C 0.369 176.210 176.300 -0.765 0.000 1.088 457 R CA 1.186 56.924 56.100 -0.603 0.000 0.984 457 R CB 0.920 30.683 30.300 -0.895 0.000 0.884 457 R HN -0.511 7.608 8.270 -0.251 0.000 0.447 458 Y N -3.689 116.458 120.300 -0.255 0.000 2.511 458 Y HA 0.441 4.895 4.550 -0.160 0.000 0.356 458 Y C -2.080 173.793 175.900 -0.045 0.000 1.002 458 Y CA -3.348 54.596 58.100 -0.260 0.000 1.127 458 Y CB 0.169 38.258 38.460 -0.619 0.000 1.137 458 Y HN -0.292 7.791 8.280 -0.328 0.000 0.652 459 P HA 0.058 4.888 4.420 0.533 -0.091 0.237 459 P C -0.149 177.393 177.300 0.404 0.000 1.178 459 P CA 1.057 64.378 63.100 0.368 0.000 0.766 459 P CB 0.382 32.235 31.700 0.255 0.000 0.876 460 L N -4.449 116.949 121.223 0.291 0.000 2.477 460 L HA -0.022 4.462 4.340 0.241 0.000 0.220 460 L C 0.205 177.245 176.870 0.284 0.000 1.106 460 L CA 0.295 55.282 54.840 0.246 0.000 0.851 460 L CB -0.026 42.118 42.059 0.143 0.000 0.994 460 L HN -0.157 8.171 8.230 0.240 0.046 0.462 461 R N -0.765 119.927 120.500 0.321 0.000 2.390 461 R HA 0.076 4.555 4.340 0.230 0.000 0.291 461 R C -1.525 175.025 176.300 0.418 0.000 1.070 461 R CA -1.753 54.529 56.100 0.304 0.000 1.014 461 R CB -0.463 30.006 30.300 0.281 0.000 1.007 461 R HN -0.790 7.672 8.270 0.319 0.000 0.466 462 P HA -0.220 4.470 4.420 0.450 0.000 0.217 462 P C -0.261 177.215 177.300 0.294 0.000 1.151 462 P CA 0.950 64.258 63.100 0.347 0.000 0.849 462 P CB 0.382 32.205 31.700 0.205 0.000 0.787 463 G N -7.403 101.534 108.800 0.228 0.000 2.315 463 G HA2 0.035 4.131 3.960 0.030 0.000 0.294 463 G HA3 0.035 4.056 3.960 0.102 0.000 0.294 463 G C -2.447 172.309 174.900 -0.240 0.000 1.300 463 G CA -0.505 44.631 45.100 0.060 0.000 0.843 463 G HN -0.779 7.647 8.290 0.267 0.024 0.527 464 L N -0.298 120.505 121.223 -0.700 0.000 2.371 464 L HA 0.251 3.834 4.340 -1.261 0.000 0.272 464 L C -0.671 175.986 176.870 -0.355 0.000 1.124 464 L CA -0.661 53.610 54.840 -0.948 0.000 0.816 464 L CB 2.314 43.761 42.059 -1.019 0.000 1.129 464 L HN 0.078 7.954 8.230 -0.591 0.000 0.448 465 A N 4.212 126.889 122.820 -0.239 0.000 2.546 465 A HA -0.116 4.325 4.320 -0.077 -0.168 0.243 465 A C 0.735 178.277 177.584 -0.069 0.000 1.063 465 A CA 0.824 52.797 52.037 -0.107 0.000 0.757 465 A CB 0.341 19.296 19.000 -0.074 0.000 0.991 465 A HN 0.409 8.408 8.150 -0.252 0.000 0.503 466 R N 4.231 124.725 120.500 -0.010 0.000 2.105 466 R HA -0.349 4.055 4.340 0.107 0.000 0.239 466 R C 2.547 178.898 176.300 0.085 0.000 1.135 466 R CA 4.185 60.334 56.100 0.081 0.000 0.967 466 R CB 0.099 30.453 30.300 0.089 0.000 0.861 466 R HN 0.187 8.450 8.270 -0.012 0.000 0.442 467 E N -2.317 117.887 120.200 0.008 0.000 2.208 467 E HA -0.234 4.074 4.350 -0.070 0.000 0.193 467 E C 1.916 178.467 176.600 -0.082 0.000 0.988 467 E CA 2.893 59.265 56.400 -0.047 0.000 0.828 467 E CB -0.784 28.892 29.700 -0.040 0.000 0.763 467 E HN 0.245 8.596 8.360 -0.001 0.009 0.478 468 E N 0.638 120.796 120.200 -0.071 0.000 2.072 468 E HA -0.244 4.050 4.350 -0.093 0.000 0.190 468 E C 2.033 178.576 176.600 -0.095 0.000 0.982 468 E CA 2.444 58.791 56.400 -0.090 0.000 0.803 468 E CB -0.587 29.059 29.700 -0.092 0.000 0.755 468 E HN -0.754 7.479 8.360 -0.062 0.090 0.453 469 L N -0.151 121.047 121.223 -0.041 0.000 2.042 469 L HA -0.345 4.009 4.340 0.023 0.000 0.210 469 L C 1.577 178.496 176.870 0.081 0.000 1.076 469 L CA 3.160 58.038 54.840 0.064 0.000 0.749 469 L CB -0.180 41.990 42.059 0.185 0.000 0.893 469 L HN -0.397 7.813 8.230 -0.033 0.000 0.432 470 R N -1.515 118.896 120.500 -0.149 0.000 2.073 470 R HA -0.488 3.485 4.340 -0.611 0.000 0.234 470 R C 2.114 178.294 176.300 -0.200 0.000 1.134 470 R CA 3.856 59.665 56.100 -0.485 0.000 0.952 470 R CB -0.123 29.672 30.300 -0.840 0.000 0.850 470 R HN -0.286 7.898 8.270 -0.144 0.000 0.433 471 S N -1.370 114.226 115.700 -0.173 0.000 2.402 471 S HA -0.054 4.337 4.470 -0.131 0.000 0.229 471 S C 2.400 176.889 174.600 -0.185 0.000 1.021 471 S CA 2.666 60.778 58.200 -0.147 0.000 0.974 471 S CB -0.631 62.495 63.200 -0.123 0.000 0.800 471 S HN -0.287 7.922 8.310 -0.168 0.000 0.484 472 R N 1.852 122.188 120.500 -0.275 0.000 2.066 472 R HA -0.282 3.780 4.340 -0.464 0.000 0.232 472 R C 1.917 177.848 176.300 -0.615 0.000 1.131 472 R CA 3.020 58.781 56.100 -0.566 0.000 0.955 472 R CB 0.401 30.157 30.300 -0.906 0.000 0.851 472 R HN -0.451 7.676 8.270 -0.238 0.000 0.432 473 Y N -7.446 112.761 120.300 -0.155 0.000 2.499 473 Y HA 0.103 4.481 4.550 -0.286 0.000 0.253 473 Y C -0.574 174.932 175.900 -0.656 0.000 1.105 473 Y CA 0.052 57.900 58.100 -0.420 0.000 1.240 473 Y CB 2.873 40.954 38.460 -0.631 0.000 1.289 473 Y HN -0.757 7.432 8.280 -0.152 0.000 0.534 474 F N -5.449 114.472 119.950 -0.048 0.000 2.815 474 F HA 0.158 4.624 4.527 -0.103 0.000 0.323 474 F C 0.583 176.284 175.800 -0.165 0.000 1.151 474 F CA -0.646 57.258 58.000 -0.160 0.000 1.191 474 F CB 0.686 39.492 39.000 -0.323 0.000 1.069 474 F HN -0.058 8.245 8.300 0.005 0.000 0.514 475 S N 1.093 116.795 115.700 0.003 0.000 2.370 475 S HA -0.373 4.063 4.470 -0.056 0.000 0.226 475 S C 1.320 175.930 174.600 0.016 0.000 1.033 475 S CA 4.132 62.320 58.200 -0.021 0.000 1.011 475 S CB 0.107 63.291 63.200 -0.027 0.000 0.852 475 S HN 0.186 8.487 8.310 -0.015 0.000 0.457 476 R N -1.441 119.097 120.500 0.062 0.000 2.236 476 R HA -0.097 4.285 4.340 0.070 0.000 0.208 476 R C -0.422 175.948 176.300 0.117 0.000 1.036 476 R CA 0.127 56.282 56.100 0.091 0.000 1.001 476 R CB -0.067 30.305 30.300 0.121 0.000 0.896 476 R HN -0.072 8.228 8.270 0.076 0.016 0.464 477 L N 1.089 122.380 121.223 0.113 0.000 2.439 477 L HA 0.099 4.530 4.340 0.151 0.000 0.269 477 L C -1.861 175.041 176.870 0.053 0.000 1.179 477 L CA -1.513 53.388 54.840 0.102 0.000 0.828 477 L CB -0.739 41.355 42.059 0.059 0.000 1.106 477 L HN -0.691 7.570 8.230 0.106 0.032 0.467 478 P HA -0.025 4.416 4.420 0.034 0.000 0.266 478 P C 0.378 177.675 177.300 -0.004 0.000 1.195 478 P CA -0.224 62.892 63.100 0.027 0.000 0.768 478 P CB 0.861 32.582 31.700 0.034 0.000 0.838 479 A N 5.483 128.303 122.820 -0.000 0.000 1.948 479 A HA -0.289 4.047 4.320 0.027 0.000 0.220 479 A C 1.794 179.381 177.584 0.005 0.000 1.177 479 A CA 3.244 55.289 52.037 0.014 0.000 0.636 479 A CB -0.320 18.685 19.000 0.009 0.000 0.815 479 A HN 0.468 8.620 8.150 0.003 0.000 0.449 480 R N -4.198 116.283 120.500 -0.032 0.000 2.115 480 R HA -0.248 4.053 4.340 -0.064 0.000 0.230 480 R C 1.920 178.133 176.300 -0.145 0.000 1.111 480 R CA 2.483 58.541 56.100 -0.071 0.000 0.976 480 R CB -0.746 29.523 30.300 -0.052 0.000 0.870 480 R HN 0.245 8.493 8.270 -0.023 0.008 0.445 481 V N 0.867 120.672 119.914 -0.183 0.000 2.323 481 V HA -0.387 3.526 4.120 -0.344 0.000 0.244 481 V C 1.584 177.519 176.094 -0.266 0.000 1.041 481 V CA 3.250 65.376 62.300 -0.289 0.000 1.025 481 V CB -0.677 30.929 31.823 -0.362 0.000 0.656 481 V HN -0.531 7.572 8.190 -0.145 0.000 0.451 482 Y N 0.420 120.513 120.300 -0.345 0.000 2.114 482 Y HA -0.612 3.553 4.550 -0.642 0.000 0.282 482 Y C 1.443 177.097 175.900 -0.410 0.000 1.165 482 Y CA 4.030 61.848 58.100 -0.470 0.000 1.148 482 Y CB -0.173 38.050 38.460 -0.394 0.000 0.972 482 Y HN -0.655 7.603 8.280 -0.037 0.000 0.504 483 Q N -1.173 118.417 119.800 -0.349 0.000 2.084 483 Q HA -0.479 3.558 4.340 -0.505 0.000 0.202 483 Q C 2.117 177.889 176.000 -0.379 0.000 0.978 483 Q CA 3.179 58.755 55.803 -0.379 0.000 0.844 483 Q CB -0.118 28.512 28.738 -0.179 0.000 0.898 483 Q HN -0.226 7.949 8.270 -0.157 0.000 0.426 484 A N 0.046 122.672 122.820 -0.322 0.000 1.933 484 A HA -0.240 3.933 4.320 -0.245 0.000 0.218 484 A C 2.106 179.442 177.584 -0.413 0.000 1.175 484 A CA 2.885 54.744 52.037 -0.296 0.000 0.628 484 A CB -0.604 18.253 19.000 -0.238 0.000 0.814 484 A HN -0.472 7.505 8.150 -0.288 0.000 0.444 485 L N -1.863 119.012 121.223 -0.581 0.000 2.017 485 L HA -0.312 3.483 4.340 -0.908 0.000 0.208 485 L C 2.260 178.535 176.870 -0.992 0.000 1.073 485 L CA 3.162 57.436 54.840 -0.943 0.000 0.745 485 L CB -1.207 40.168 42.059 -1.139 0.000 0.894 485 L HN -0.276 7.617 8.230 -0.563 0.000 0.432 486 L N -1.984 118.806 121.223 -0.722 0.000 2.042 486 L HA -0.524 3.728 4.340 -0.146 0.000 0.210 486 L C 2.365 179.101 176.870 -0.223 0.000 1.076 486 L CA 3.606 58.222 54.840 -0.374 0.000 0.749 486 L CB -0.716 41.077 42.059 -0.443 0.000 0.893 486 L HN -0.254 7.492 8.230 -0.806 0.000 0.432 487 E N -1.699 118.342 120.200 -0.265 0.000 2.110 487 E HA -0.420 3.863 4.350 -0.112 0.000 0.193 487 E C 2.324 178.839 176.600 -0.140 0.000 0.988 487 E CA 3.342 59.645 56.400 -0.162 0.000 0.804 487 E CB -0.420 29.186 29.700 -0.155 0.000 0.745 487 E HN -0.224 7.941 8.360 -0.324 0.000 0.458 488 E N 0.904 120.965 120.200 -0.230 0.000 2.051 488 E HA -0.296 3.986 4.350 -0.114 0.000 0.192 488 E C 2.269 178.833 176.600 -0.059 0.000 0.991 488 E CA 3.198 59.488 56.400 -0.183 0.000 0.799 488 E CB -0.077 29.454 29.700 -0.281 0.000 0.748 488 E HN -0.340 7.825 8.360 -0.324 0.000 0.449 489 W N -2.153 119.089 121.300 -0.097 0.000 2.402 489 W HA -0.071 4.451 4.660 -0.230 0.000 0.286 489 W C 2.169 178.618 176.519 -0.117 0.000 1.221 489 W CA 1.515 58.760 57.345 -0.168 0.000 1.257 489 W CB -0.704 28.654 29.460 -0.169 0.000 1.120 489 W HN -0.114 7.918 8.180 -0.246 0.000 0.551 490 S N 0.986 116.763 115.700 0.129 0.000 2.355 490 S HA -0.143 4.578 4.470 0.097 -0.192 0.222 490 S C 2.722 177.346 174.600 0.040 0.000 1.031 490 S CA 3.111 61.356 58.200 0.076 0.000 0.993 490 S CB -0.465 62.760 63.200 0.042 0.000 0.859 490 S HN 0.021 8.388 8.310 0.095 0.000 0.453 491 R N 0.514 121.024 120.500 0.016 0.000 2.189 491 R HA -0.136 4.208 4.340 0.007 0.000 0.218 491 R C 2.153 178.458 176.300 0.009 0.000 1.074 491 R CA 2.236 58.339 56.100 0.005 0.000 0.991 491 R CB -0.476 29.816 30.300 -0.013 0.000 0.883 491 R HN -0.284 7.988 8.270 0.004 0.000 0.457 492 E N -3.138 117.073 120.200 0.018 0.000 2.511 492 E HA -0.062 4.289 4.350 0.002 0.000 0.196 492 E C 0.370 176.966 176.600 -0.007 0.000 1.066 492 E CA 0.218 56.621 56.400 0.005 0.000 0.871 492 E CB 0.008 29.714 29.700 0.011 0.000 0.863 492 E HN -0.554 7.815 8.360 0.032 0.010 0.520 493 G N -1.395 107.411 108.800 0.010 0.000 2.143 493 G HA2 -0.321 3.647 3.960 0.014 0.000 0.249 493 G HA3 -0.321 3.658 3.960 0.032 0.000 0.249 493 G C 0.072 174.985 174.900 0.021 0.000 0.981 493 G CA 0.688 45.800 45.100 0.019 0.000 0.665 493 G HN -0.204 7.876 8.290 0.021 0.223 0.528 494 R N -1.917 118.578 120.500 -0.009 0.000 2.112 494 R HA -0.029 4.325 4.340 0.024 0.000 0.216 494 R C -0.404 175.998 176.300 0.170 0.000 1.080 494 R CA 1.869 57.962 56.100 -0.011 0.000 0.996 494 R CB 1.033 31.070 30.300 -0.439 0.000 0.902 494 R HN -0.219 8.007 8.270 -0.018 0.033 0.449 495 L N -4.565 116.756 121.223 0.164 0.000 2.333 495 L HA 0.691 5.366 4.340 0.237 -0.192 0.263 495 L C -1.323 175.633 176.870 0.144 0.000 1.014 495 L CA -2.061 52.902 54.840 0.206 0.000 0.820 495 L CB 4.468 46.672 42.059 0.243 0.000 1.352 495 L HN -0.785 7.519 8.230 0.123 0.000 0.421 496 Q N -1.210 118.678 119.800 0.147 0.000 2.306 496 Q HA 0.491 4.886 4.340 0.091 0.000 0.265 496 Q C -1.741 174.317 176.000 0.097 0.000 1.022 496 Q CA -1.711 54.160 55.803 0.113 0.000 0.853 496 Q CB 3.011 31.825 28.738 0.126 0.000 1.327 496 Q HN 0.469 8.842 8.270 0.171 0.000 0.449 497 L N 1.685 122.946 121.223 0.064 0.000 2.362 497 L HA 0.636 5.002 4.340 0.043 0.000 0.271 497 L C -0.584 176.309 176.870 0.039 0.000 1.002 497 L CA -1.156 53.709 54.840 0.040 0.000 0.818 497 L CB 3.251 45.315 42.059 0.007 0.000 1.298 497 L HN 0.390 8.653 8.230 0.056 0.000 0.420 498 A N 3.005 125.846 122.820 0.036 0.000 2.312 498 A HA 0.505 4.843 4.320 0.031 0.000 0.310 498 A C -0.638 176.954 177.584 0.015 0.000 1.139 498 A CA -1.253 50.803 52.037 0.032 0.000 0.886 498 A CB 2.229 21.257 19.000 0.047 0.000 1.350 498 A HN 0.543 8.714 8.150 0.036 0.000 0.479 499 A N -1.206 121.621 122.820 0.013 0.000 1.940 499 A HA -0.193 4.127 4.320 -0.001 0.000 0.219 499 A C 0.009 177.595 177.584 0.004 0.000 1.176 499 A CA 2.833 54.873 52.037 0.005 0.000 0.631 499 A CB -0.844 18.159 19.000 0.006 0.000 0.814 499 A HN 0.608 8.769 8.150 0.017 0.000 0.446 500 N N -5.924 112.782 118.700 0.009 0.000 2.210 500 N HA 0.095 4.838 4.740 0.005 0.000 0.203 500 N C -1.434 174.075 175.510 -0.000 0.000 1.175 500 N CA 0.480 53.534 53.050 0.006 0.000 0.894 500 N CB 1.314 39.805 38.487 0.006 0.000 1.041 500 N HN 0.259 8.634 8.380 0.014 0.013 0.506 501 T N -4.123 110.433 114.554 0.003 0.000 2.901 501 T HA 0.773 5.267 4.350 -0.038 -0.166 0.293 501 T C -1.853 172.847 174.700 -0.001 0.000 1.084 501 T CA -2.117 59.975 62.100 -0.012 0.000 1.008 501 T CB 3.119 71.988 68.868 0.001 0.000 1.170 501 T HN -0.820 7.427 8.240 0.012 0.000 0.509 502 V N -5.048 114.851 119.914 -0.025 0.000 2.841 502 V HA 0.780 5.199 4.120 0.041 -0.274 0.310 502 V C -2.639 173.467 176.094 0.019 0.000 1.090 502 V CA -2.857 59.449 62.300 0.010 0.000 0.930 502 V CB 3.229 35.058 31.823 0.010 0.000 1.014 502 V HN 0.124 8.269 8.190 -0.076 0.000 0.425 503 A N 2.296 125.188 122.820 0.119 0.000 2.566 503 A HA 0.742 5.220 4.320 0.263 0.000 0.292 503 A C -1.726 176.038 177.584 0.301 0.000 1.112 503 A CA -1.938 50.252 52.037 0.254 0.000 0.707 503 A CB 3.348 22.506 19.000 0.262 0.000 1.302 503 A HN 0.153 8.381 8.150 0.131 0.000 0.409 504 L N -1.039 120.464 121.223 0.467 0.000 2.456 504 L HA -0.038 4.600 4.340 0.300 -0.119 0.272 504 L C 1.856 178.879 176.870 0.256 0.000 1.189 504 L CA -0.409 54.628 54.840 0.328 0.000 0.846 504 L CB -1.024 41.237 42.059 0.337 0.000 1.111 504 L HN -0.094 8.652 8.230 0.859 0.000 0.475 505 A N 3.622 126.566 122.820 0.207 0.000 1.986 505 A HA -0.180 4.230 4.320 0.150 0.000 0.220 505 A C 0.589 178.252 177.584 0.131 0.000 1.171 505 A CA 2.455 54.584 52.037 0.152 0.000 0.640 505 A CB 0.057 19.127 19.000 0.116 0.000 0.811 505 A HN -0.092 8.090 8.150 0.214 0.096 0.451 506 G N -3.605 105.276 108.800 0.134 0.000 2.985 506 G HA2 0.021 4.032 3.960 0.085 0.000 0.209 506 G HA3 0.021 4.019 3.960 0.064 0.000 0.209 506 G C -0.313 174.632 174.900 0.075 0.000 1.165 506 G CA -0.884 44.270 45.100 0.090 0.000 0.776 506 G HN 0.011 8.378 8.290 0.153 0.015 0.541 507 F N 2.275 122.185 119.950 -0.068 0.000 2.471 507 F HA -0.116 4.320 4.527 -0.151 0.000 0.353 507 F C -2.111 173.627 175.800 -0.105 0.000 1.113 507 F CA 0.978 58.872 58.000 -0.177 0.000 1.262 507 F CB 1.442 40.121 39.000 -0.536 0.000 1.146 507 F HN -0.679 7.661 8.300 0.241 0.104 0.578 508 T N 2.077 115.916 114.554 -1.192 0.000 2.952 508 T HA 0.385 4.298 4.350 -0.728 0.000 0.305 508 T C -2.620 171.351 174.700 -1.215 0.000 1.064 508 T CA -3.313 58.225 62.100 -0.936 0.000 1.008 508 T CB 0.852 69.498 68.868 -0.370 0.000 1.078 508 T HN -0.305 7.219 8.240 -1.193 0.000 0.459 509 P HA 0.254 4.854 4.420 -0.115 -0.250 0.264 509 P C -0.974 176.267 177.300 -0.099 0.000 1.183 509 P CA -0.048 62.928 63.100 -0.207 0.000 0.763 509 P CB 0.564 32.303 31.700 0.064 0.000 0.807 510 S N 2.843 118.566 115.700 0.039 0.000 2.636 510 S HA 0.363 4.935 4.470 0.169 0.000 0.266 510 S C -2.187 172.565 174.600 0.253 0.000 1.147 510 S CA -0.505 57.757 58.200 0.103 0.000 0.815 510 S CB 2.650 65.814 63.200 -0.059 0.000 1.119 510 S HN -0.050 8.320 8.310 0.100 0.000 0.470 511 F N 0.000 119.950 119.950 0.001 0.000 2.286 511 F HA 0.000 4.538 4.527 0.018 0.000 0.279 511 F CA 0.000 58.006 58.000 0.010 0.000 1.383 511 F CB 0.000 39.009 39.000 0.014 0.000 1.145 511 F HN 0.000 8.242 8.300 -0.097 0.000 0.574