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 2rnr_1_A DATA FIRST_RESID 378 DATA SEQUENCE EEDEEEDDEF EEVADDPIVM VAGRPFSYSE VSQRPELVAQ MTPEEKEAYI DATA SEQUENCE AMGQRMFEDL FE 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 378 E HA 0.000 4.352 4.350 0.003 0.000 0.291 378 E C 0.000 176.601 176.600 0.002 0.000 1.382 378 E CA 0.000 56.401 56.400 0.002 0.000 0.976 378 E CB 0.000 29.701 29.700 0.001 0.000 0.812 379 E N 2.551 122.753 120.200 0.003 0.000 2.458 379 E HA 0.189 4.540 4.350 0.003 0.000 0.250 379 E C -1.599 175.004 176.600 0.005 0.000 0.883 379 E CA -0.852 55.550 56.400 0.004 0.000 0.868 379 E CB 1.125 30.828 29.700 0.005 0.000 1.593 379 E HN -0.024 8.338 8.360 0.004 0.000 0.410 380 D N -0.545 119.858 120.400 0.006 0.000 2.616 380 D HA 0.172 4.817 4.640 0.008 0.000 0.238 380 D C -0.841 175.465 176.300 0.012 0.000 1.354 380 D CA 0.335 54.339 54.000 0.007 0.000 0.970 380 D CB 1.414 42.216 40.800 0.003 0.000 1.369 380 D HN 0.260 8.633 8.370 0.006 0.000 0.585 381 E N 2.387 122.597 120.200 0.016 0.000 2.479 381 E HA 0.021 4.383 4.350 0.020 0.000 0.193 381 E C -0.993 175.627 176.600 0.033 0.000 1.049 381 E CA 0.135 56.549 56.400 0.022 0.000 0.870 381 E CB 0.325 30.038 29.700 0.022 0.000 0.944 381 E HN 0.233 8.603 8.360 0.016 0.000 0.492 382 E N 0.003 120.221 120.200 0.031 0.000 2.259 382 E HA -0.039 4.354 4.350 0.071 0.000 0.281 382 E C -0.241 176.378 176.600 0.030 0.000 1.027 382 E CA 0.097 56.523 56.400 0.043 0.000 0.838 382 E CB 0.139 29.855 29.700 0.028 0.000 1.066 382 E HN -0.227 8.067 8.360 0.021 0.079 0.401 383 E N 3.144 123.376 120.200 0.054 0.000 2.399 383 E HA -0.037 4.321 4.350 0.014 0.000 0.206 383 E C -0.506 176.103 176.600 0.016 0.000 0.812 383 E CA -0.269 56.154 56.400 0.038 0.000 1.138 383 E CB 0.043 29.777 29.700 0.057 0.000 1.140 383 E HN 0.296 8.716 8.360 0.101 0.000 0.536 384 D N 0.082 120.523 120.400 0.069 0.000 3.026 384 D HA -0.152 4.488 4.640 0.000 0.000 0.248 384 D C -0.701 175.657 176.300 0.097 0.000 1.100 384 D CA 0.845 54.796 54.000 -0.081 0.000 0.855 384 D CB -0.293 40.265 40.800 -0.403 0.000 1.011 384 D HN -0.005 8.479 8.370 0.190 0.000 0.423 385 D N -1.361 119.197 120.400 0.263 0.000 2.433 385 D HA -0.011 4.696 4.640 0.111 0.000 0.211 385 D C -0.260 176.154 176.300 0.190 0.000 1.114 385 D CA 0.591 54.691 54.000 0.166 0.000 0.837 385 D CB 1.256 42.119 40.800 0.105 0.000 0.984 385 D HN 0.187 8.786 8.370 0.381 0.000 0.505 386 E N -0.592 119.807 120.200 0.332 0.000 2.721 386 E HA -0.003 4.434 4.350 0.145 0.000 0.392 386 E C -1.970 174.693 176.600 0.104 0.000 1.068 386 E CA 0.542 57.040 56.400 0.164 0.000 0.744 386 E CB 0.543 30.257 29.700 0.024 0.000 1.593 386 E HN -0.313 8.447 8.360 0.668 0.000 0.382 387 F N 0.784 120.735 119.950 0.002 0.000 2.540 387 F HA 0.204 4.732 4.527 0.002 0.000 0.317 387 F C -0.266 175.536 175.800 0.002 0.000 1.104 387 F CA -0.968 57.033 58.000 0.002 0.000 0.913 387 F CB 2.062 41.062 39.000 0.001 0.000 1.170 387 F HN -0.189 8.330 8.300 0.366 0.000 0.450 388 E N 4.363 124.628 120.200 0.108 0.000 2.152 388 E HA -0.016 4.373 4.350 0.066 0.000 0.285 388 E C -0.588 176.067 176.600 0.093 0.000 1.043 388 E CA -0.566 55.877 56.400 0.071 0.000 0.839 388 E CB 0.835 30.550 29.700 0.024 0.000 1.069 388 E HN 0.272 8.654 8.360 0.037 0.000 0.399 389 E N 5.340 125.587 120.200 0.078 0.000 2.161 389 E HA -0.184 4.214 4.350 0.079 0.000 0.263 389 E C -0.431 176.197 176.600 0.046 0.000 1.185 389 E CA -0.009 56.429 56.400 0.063 0.000 0.938 389 E CB -0.247 29.479 29.700 0.043 0.000 1.023 389 E HN 0.165 8.566 8.360 0.069 0.000 0.433 390 V N 4.917 124.860 119.914 0.048 0.000 2.775 390 V HA -0.015 4.123 4.120 0.030 0.000 0.299 390 V C -0.249 175.858 176.094 0.021 0.000 1.062 390 V CA -0.025 62.295 62.300 0.033 0.000 1.063 390 V CB 0.639 32.482 31.823 0.034 0.000 0.994 390 V HN -0.147 8.081 8.190 0.063 0.000 0.483 391 A N 5.231 128.059 122.820 0.014 0.000 2.343 391 A HA 0.193 4.512 4.320 -0.002 0.000 0.316 391 A C -0.981 176.599 177.584 -0.007 0.000 1.104 391 A CA -1.160 50.878 52.037 0.001 0.000 0.768 391 A CB 1.930 20.931 19.000 0.002 0.000 1.213 391 A HN -0.142 8.018 8.150 0.017 0.000 0.456 392 D N 1.328 121.715 120.400 -0.023 0.000 2.376 392 D HA -0.246 4.381 4.640 -0.022 0.000 0.278 392 D C -1.088 175.182 176.300 -0.051 0.000 1.384 392 D CA 0.604 54.583 54.000 -0.036 0.000 1.033 392 D CB -0.636 40.133 40.800 -0.051 0.000 1.102 392 D HN 0.229 8.584 8.370 -0.024 0.000 0.530 393 D N 4.182 124.570 120.400 -0.021 0.000 2.481 393 D HA 0.281 4.896 4.640 -0.042 0.000 0.246 393 D C -1.663 174.646 176.300 0.016 0.000 1.109 393 D CA -3.136 50.863 54.000 -0.002 0.000 0.845 393 D CB 2.766 43.593 40.800 0.046 0.000 1.160 393 D HN -0.338 8.028 8.370 -0.007 0.000 0.534 394 P HA 0.157 4.586 4.420 0.015 0.000 0.276 394 P C -1.552 175.817 177.300 0.115 0.000 1.261 394 P CA -0.884 62.234 63.100 0.030 0.000 0.800 394 P CB 1.356 33.040 31.700 -0.027 0.000 1.066 395 I N -0.550 120.079 120.570 0.099 0.000 2.339 395 I HA 0.355 4.723 4.170 0.142 -0.112 0.290 395 I C -0.463 175.739 176.117 0.140 0.000 0.994 395 I CA -2.127 59.242 61.300 0.115 0.000 1.191 395 I CB 0.283 38.320 38.000 0.062 0.000 1.343 395 I HN 0.203 8.453 8.210 0.067 0.000 0.458 396 V N 8.184 128.212 119.914 0.190 0.000 2.444 396 V HA 0.365 4.586 4.120 0.167 0.000 0.294 396 V C -1.914 174.286 176.094 0.177 0.000 1.022 396 V CA -2.765 59.657 62.300 0.203 0.000 0.850 396 V CB 3.161 35.165 31.823 0.302 0.000 0.992 396 V HN 0.958 9.180 8.190 0.209 0.094 0.426 397 M N 8.354 128.025 119.600 0.118 0.000 2.211 397 M HA 0.131 4.834 4.480 0.039 -0.200 0.356 397 M C -1.180 175.202 176.300 0.138 0.000 1.216 397 M CA 1.002 56.350 55.300 0.080 0.000 1.134 397 M CB 1.250 33.863 32.600 0.021 0.000 1.564 397 M HN 0.267 8.620 8.290 0.105 0.000 0.463 398 V N 0.373 120.415 119.914 0.213 0.000 2.525 398 V HA 0.199 4.625 4.120 0.126 -0.230 0.299 398 V C -0.189 176.021 176.094 0.193 0.000 1.034 398 V CA -1.085 61.350 62.300 0.225 0.000 0.863 398 V CB 2.000 33.995 31.823 0.287 0.000 0.999 398 V HN 0.422 8.614 8.190 0.184 0.109 0.423 399 A N 7.482 130.362 122.820 0.100 0.000 2.847 399 A HA -0.358 3.990 4.320 0.046 0.000 0.263 399 A C 0.300 177.908 177.584 0.040 0.000 1.391 399 A CA 1.087 53.165 52.037 0.069 0.000 0.866 399 A CB -1.597 17.456 19.000 0.089 0.000 1.057 399 A HN 1.274 10.046 8.150 0.075 -0.576 0.673 400 G N -6.215 102.599 108.800 0.022 0.000 2.157 400 G HA2 -0.434 3.519 3.960 -0.012 0.000 0.248 400 G HA3 -0.434 3.519 3.960 -0.012 0.000 0.248 400 G C -0.802 174.055 174.900 -0.073 0.000 0.979 400 G CA 0.020 45.111 45.100 -0.015 0.000 0.650 400 G HN 0.438 9.052 8.290 0.039 -0.301 0.529 401 R N 0.743 121.170 120.500 -0.121 0.000 2.338 401 R HA 0.405 4.568 4.340 -0.294 0.000 0.317 401 R C -2.375 173.576 176.300 -0.582 0.000 0.968 401 R CA -3.390 52.484 56.100 -0.375 0.000 0.849 401 R CB 1.126 31.136 30.300 -0.484 0.000 1.128 401 R HN -0.247 7.802 8.270 -0.030 0.204 0.448 402 P HA 0.185 4.495 4.420 -0.182 0.000 0.274 402 P C -1.376 175.653 177.300 -0.451 0.000 1.291 402 P CA 0.195 63.093 63.100 -0.337 0.000 0.815 402 P CB -0.151 31.436 31.700 -0.188 0.000 0.897 403 F N 4.852 124.814 119.950 0.019 0.000 2.556 403 F HA 0.350 4.885 4.527 0.013 0.000 0.327 403 F C -0.795 175.030 175.800 0.042 0.000 1.059 403 F CA -1.943 56.068 58.000 0.017 0.000 0.953 403 F CB 3.963 42.961 39.000 -0.004 0.000 1.227 403 F HN -0.315 7.997 8.300 0.019 0.000 0.478 404 S N 0.059 115.917 115.700 0.263 0.000 2.645 404 S HA 0.219 4.905 4.470 0.180 -0.109 0.266 404 S C 0.709 175.439 174.600 0.216 0.000 1.258 404 S CA -0.036 58.281 58.200 0.195 0.000 0.990 404 S CB 1.116 64.404 63.200 0.147 0.000 0.967 404 S HN 0.124 8.609 8.310 0.292 0.000 0.556 405 Y N 3.449 123.815 120.300 0.110 0.000 2.163 405 Y HA -0.356 4.334 4.550 0.234 0.000 0.288 405 Y C 1.813 177.793 175.900 0.133 0.000 1.136 405 Y CA 4.673 62.853 58.100 0.133 0.000 1.147 405 Y CB 0.340 38.811 38.460 0.019 0.000 0.987 405 Y HN 0.477 9.162 8.280 0.298 -0.226 0.509 406 S N -2.121 113.721 115.700 0.237 0.000 2.474 406 S HA -0.192 4.372 4.470 0.156 0.000 0.235 406 S C 1.779 176.410 174.600 0.051 0.000 0.997 406 S CA 3.026 61.308 58.200 0.137 0.000 0.949 406 S CB -0.287 62.979 63.200 0.111 0.000 0.766 406 S HN -0.390 8.517 8.310 0.254 -0.444 0.517 407 E N 2.700 122.929 120.200 0.049 0.000 2.060 407 E HA -0.096 4.242 4.350 -0.020 0.000 0.189 407 E C 2.249 178.777 176.600 -0.119 0.000 0.974 407 E CA 2.176 58.571 56.400 -0.009 0.000 0.808 407 E CB -0.249 29.491 29.700 0.066 0.000 0.768 407 E HN -0.120 8.120 8.360 0.098 0.179 0.453 408 V N -0.148 119.698 119.914 -0.114 0.000 2.427 408 V HA -0.464 3.453 4.120 -0.337 0.000 0.248 408 V C 1.461 177.366 176.094 -0.315 0.000 1.051 408 V CA 4.025 66.172 62.300 -0.255 0.000 1.048 408 V CB 0.013 31.705 31.823 -0.218 0.000 0.666 408 V HN 0.348 8.423 8.190 -0.015 0.107 0.456 409 S N -2.744 112.844 115.700 -0.187 0.000 2.406 409 S HA -0.270 4.090 4.470 -0.182 0.000 0.228 409 S C 1.190 175.739 174.600 -0.085 0.000 1.020 409 S CA 2.717 60.853 58.200 -0.106 0.000 0.965 409 S CB 0.141 63.364 63.200 0.039 0.000 0.798 409 S HN -0.064 8.161 8.310 -0.120 0.013 0.488 410 Q N 0.161 119.914 119.800 -0.080 0.000 2.378 410 Q HA -0.032 4.283 4.340 -0.042 0.000 0.205 410 Q C 0.636 176.574 176.000 -0.103 0.000 0.954 410 Q CA 0.786 56.550 55.803 -0.066 0.000 0.901 410 Q CB 0.691 29.402 28.738 -0.045 0.000 0.981 410 Q HN -0.725 7.389 8.270 -0.078 0.110 0.483 411 R N 0.014 120.417 120.500 -0.162 0.000 2.287 411 R HA 0.558 4.870 4.340 -0.144 -0.058 0.316 411 R C -2.141 174.041 176.300 -0.198 0.000 1.050 411 R CA -2.599 53.389 56.100 -0.186 0.000 0.983 411 R CB -0.052 30.091 30.300 -0.260 0.000 1.140 411 R HN -0.861 7.149 8.270 -0.188 0.147 0.528 412 P HA -0.224 4.103 4.420 -0.154 0.000 0.220 412 P C 0.532 177.748 177.300 -0.139 0.000 1.148 412 P CA 2.097 65.116 63.100 -0.135 0.000 0.803 412 P CB 0.279 31.925 31.700 -0.090 0.000 0.782 413 E N -3.134 116.984 120.200 -0.137 0.000 2.152 413 E HA -0.249 4.042 4.350 -0.098 0.000 0.192 413 E C 1.687 178.196 176.600 -0.151 0.000 0.983 413 E CA 2.592 58.918 56.400 -0.123 0.000 0.818 413 E CB -1.258 28.377 29.700 -0.108 0.000 0.758 413 E HN 0.400 8.639 8.360 -0.138 0.038 0.467 414 L N -1.156 119.935 121.223 -0.219 0.000 1.994 414 L HA -0.316 3.892 4.340 -0.222 0.000 0.208 414 L C 2.444 179.186 176.870 -0.214 0.000 1.071 414 L CA 2.831 57.514 54.840 -0.261 0.000 0.745 414 L CB -0.121 41.690 42.059 -0.415 0.000 0.892 414 L HN -0.517 7.439 8.230 -0.235 0.133 0.431 415 V N -1.299 118.457 119.914 -0.264 0.000 2.759 415 V HA -0.333 3.618 4.120 -0.281 0.000 0.256 415 V C 0.911 176.913 176.094 -0.153 0.000 1.080 415 V CA 2.687 64.826 62.300 -0.267 0.000 1.101 415 V CB -0.074 31.531 31.823 -0.364 0.000 0.698 415 V HN -0.495 7.525 8.190 -0.283 0.000 0.477 416 A N -2.029 120.715 122.820 -0.126 0.000 2.169 416 A HA -0.088 4.190 4.320 -0.070 0.000 0.212 416 A C 0.401 177.949 177.584 -0.061 0.000 1.153 416 A CA 1.556 53.544 52.037 -0.082 0.000 0.756 416 A CB 0.134 19.090 19.000 -0.074 0.000 0.813 416 A HN -0.265 7.643 8.150 -0.146 0.155 0.471 417 Q N -4.079 115.682 119.800 -0.066 0.000 2.189 417 Q HA 0.183 4.507 4.340 -0.027 0.000 0.223 417 Q C -0.562 175.426 176.000 -0.020 0.000 0.828 417 Q CA -0.847 54.934 55.803 -0.036 0.000 0.967 417 Q CB 1.380 30.099 28.738 -0.030 0.000 1.139 417 Q HN -0.290 7.733 8.270 -0.093 0.192 0.497 418 M N -0.227 119.349 119.600 -0.039 0.000 2.249 418 M HA 0.134 4.776 4.480 0.011 -0.156 0.351 418 M C -0.088 176.208 176.300 -0.007 0.000 1.180 418 M CA 0.208 55.497 55.300 -0.018 0.000 1.127 418 M CB 1.749 34.317 32.600 -0.053 0.000 1.546 418 M HN -0.688 7.375 8.290 -0.068 0.186 0.461 419 T N -0.138 114.423 114.554 0.013 0.000 2.813 419 T HA 0.325 4.681 4.350 0.010 0.000 0.297 419 T C -0.217 174.496 174.700 0.022 0.000 1.036 419 T CA -1.565 60.544 62.100 0.016 0.000 1.044 419 T CB -0.342 68.539 68.868 0.021 0.000 0.993 419 T HN 0.751 9.415 8.240 0.022 -0.410 0.535 420 P HA -0.247 4.191 4.420 0.030 0.000 0.216 420 P C 1.660 178.986 177.300 0.042 0.000 1.153 420 P CA 3.243 66.361 63.100 0.030 0.000 0.858 420 P CB -0.051 31.664 31.700 0.025 0.000 0.789 421 E N -2.660 117.564 120.200 0.040 0.000 2.058 421 E HA -0.305 4.073 4.350 0.048 0.000 0.194 421 E C 2.734 179.373 176.600 0.064 0.000 0.997 421 E CA 3.850 60.278 56.400 0.047 0.000 0.801 421 E CB -0.843 28.880 29.700 0.038 0.000 0.746 421 E HN 0.604 8.980 8.360 0.032 0.004 0.450 422 E N -0.415 119.822 120.200 0.061 0.000 2.072 422 E HA -0.392 4.013 4.350 0.092 0.000 0.191 422 E C 2.247 178.912 176.600 0.109 0.000 0.985 422 E CA 2.947 59.395 56.400 0.080 0.000 0.801 422 E CB -0.201 29.536 29.700 0.061 0.000 0.750 422 E HN -0.558 7.754 8.360 0.048 0.076 0.452 423 K N 0.510 120.957 120.400 0.080 0.000 2.057 423 K HA -0.309 4.068 4.320 0.095 0.000 0.207 423 K C 2.624 179.328 176.600 0.173 0.000 1.049 423 K CA 3.380 59.729 56.287 0.104 0.000 0.931 423 K CB 0.054 32.587 32.500 0.053 0.000 0.714 423 K HN 0.514 8.681 8.250 0.053 0.114 0.440 424 E N -1.246 119.027 120.200 0.122 0.000 2.106 424 E HA -0.263 4.159 4.350 0.122 0.000 0.192 424 E C 2.352 179.030 176.600 0.129 0.000 0.984 424 E CA 2.636 59.105 56.400 0.115 0.000 0.806 424 E CB -0.702 29.045 29.700 0.079 0.000 0.750 424 E HN 0.166 8.474 8.360 0.093 0.109 0.458 425 A N 0.403 123.304 122.820 0.134 0.000 1.877 425 A HA -0.214 4.168 4.320 0.103 0.000 0.216 425 A C 1.863 179.561 177.584 0.190 0.000 1.186 425 A CA 3.084 55.202 52.037 0.135 0.000 0.620 425 A CB -0.857 18.217 19.000 0.122 0.000 0.822 425 A HN 0.237 8.270 8.150 0.123 0.191 0.443 426 Y N 0.005 120.368 120.300 0.105 0.000 2.145 426 Y HA -0.440 4.240 4.550 0.217 0.000 0.286 426 Y C 1.943 177.985 175.900 0.237 0.000 1.145 426 Y CA 3.689 61.876 58.100 0.145 0.000 1.148 426 Y CB 0.123 38.586 38.460 0.005 0.000 0.981 426 Y HN 0.129 8.410 8.280 0.308 0.184 0.507 427 I N -0.971 119.722 120.570 0.205 0.000 2.179 427 I HA -0.601 3.618 4.170 0.082 0.000 0.242 427 I C 1.925 178.094 176.117 0.085 0.000 1.088 427 I CA 4.044 65.424 61.300 0.133 0.000 1.357 427 I CB 0.018 38.126 38.000 0.179 0.000 1.051 427 I HN 0.391 8.685 8.210 0.325 0.111 0.409 428 A N -0.289 122.583 122.820 0.087 0.000 1.902 428 A HA -0.344 4.015 4.320 0.065 0.000 0.217 428 A C 2.252 179.844 177.584 0.013 0.000 1.181 428 A CA 3.212 55.284 52.037 0.059 0.000 0.623 428 A CB -0.772 18.263 19.000 0.059 0.000 0.818 428 A HN 0.371 8.471 8.150 0.110 0.116 0.443 429 M N -2.913 116.690 119.600 0.005 0.000 2.213 429 M HA -0.383 4.052 4.480 -0.076 0.000 0.263 429 M C 2.557 178.681 176.300 -0.293 0.000 1.062 429 M CA 3.719 58.969 55.300 -0.083 0.000 1.105 429 M CB -0.070 32.538 32.600 0.013 0.000 1.385 429 M HN 0.348 8.564 8.290 0.059 0.109 0.417 430 G N -1.820 106.814 108.800 -0.276 0.000 2.403 430 G HA2 -0.326 3.041 3.960 -0.988 0.000 0.216 430 G HA3 -0.326 3.462 3.960 -0.287 0.000 0.216 430 G C 1.180 175.921 174.900 -0.265 0.000 1.154 430 G CA 1.691 46.494 45.100 -0.495 0.000 0.784 430 G HN -0.083 8.024 8.290 -0.099 0.124 0.538 431 Q N 1.949 121.778 119.800 0.050 0.000 2.181 431 Q HA -0.314 4.271 4.340 0.408 0.000 0.205 431 Q C 2.598 178.637 176.000 0.065 0.000 0.980 431 Q CA 2.562 58.472 55.803 0.178 0.000 0.862 431 Q CB -0.690 28.127 28.738 0.131 0.000 0.905 431 Q HN -0.040 8.168 8.270 0.041 0.086 0.429 432 R N 0.032 120.506 120.500 -0.042 0.000 2.081 432 R HA -0.191 4.146 4.340 -0.005 0.000 0.235 432 R C 1.774 178.017 176.300 -0.095 0.000 1.131 432 R CA 2.620 58.685 56.100 -0.057 0.000 0.960 432 R CB -0.573 29.675 30.300 -0.087 0.000 0.856 432 R HN -0.516 7.603 8.270 -0.073 0.106 0.436 433 M N -2.850 116.612 119.600 -0.229 0.000 2.288 433 M HA -0.234 4.132 4.480 -0.191 0.000 0.266 433 M C 1.989 178.166 176.300 -0.205 0.000 1.072 433 M CA 3.681 58.813 55.300 -0.279 0.000 1.132 433 M CB 0.393 32.703 32.600 -0.483 0.000 1.386 433 M HN -0.653 7.361 8.290 -0.318 0.086 0.432 434 F N 0.080 119.933 119.950 -0.161 0.000 2.234 434 F HA -0.267 4.123 4.527 -0.228 0.000 0.299 434 F C 2.043 177.714 175.800 -0.215 0.000 1.087 434 F CA 1.780 59.664 58.000 -0.192 0.000 1.340 434 F CB -0.675 38.238 39.000 -0.145 0.000 1.031 434 F HN 0.587 8.583 8.300 -0.192 0.189 0.500 435 E N -2.281 118.001 120.200 0.137 0.000 2.502 435 E HA -0.170 4.461 4.350 0.469 0.000 0.194 435 E C -0.121 176.625 176.600 0.243 0.000 1.062 435 E CA 1.119 57.677 56.400 0.262 0.000 0.867 435 E CB -0.037 29.788 29.700 0.208 0.000 0.888 435 E HN -0.297 7.925 8.360 0.117 0.208 0.510 436 D N -0.905 119.545 120.400 0.083 0.000 2.559 436 D HA 0.054 4.771 4.640 0.127 0.000 0.234 436 D C -0.813 175.505 176.300 0.029 0.000 1.226 436 D CA 0.010 54.050 54.000 0.067 0.000 0.830 436 D CB 0.441 41.243 40.800 0.003 0.000 1.028 436 D HN -0.418 7.743 8.370 0.019 0.221 0.492 437 L N -1.455 119.747 121.223 -0.035 0.000 2.679 437 L HA 0.164 4.486 4.340 -0.031 0.000 0.217 437 L C 0.571 177.457 176.870 0.028 0.000 1.659 437 L CA -0.196 54.580 54.840 -0.106 0.000 2.908 437 L CB 0.524 42.435 42.059 -0.247 0.000 2.698 437 L HN -0.739 7.357 8.230 -0.085 0.082 0.828 438 F N -4.162 115.809 119.950 0.036 0.000 3.006 438 F HA -0.313 4.225 4.527 0.018 0.000 0.289 438 F C 0.037 175.846 175.800 0.015 0.000 0.772 438 F CA 1.138 59.150 58.000 0.020 0.000 1.162 438 F CB -1.049 37.960 39.000 0.015 0.000 1.382 438 F HN 0.040 8.049 8.300 -0.485 0.000 0.406 439 E N 0.000 120.270 120.200 0.116 0.000 0.000 439 E HA 0.000 4.394 4.350 0.073 0.000 0.000 439 E CA 0.000 56.447 56.400 0.078 0.000 0.000 439 E CB 0.000 29.751 29.700 0.084 0.000 0.000 439 E HN 0.000 8.331 8.360 0.056 0.062 0.000