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 3fb2_1_A DATA FIRST_RESID 1334 DATA SEQUENCE HSHDSHDLQR FLSDFRDLXS WINGIRGLVS SDELAKDVTG AEALLERHQE DATA SEQUENCE HRTEIDARAG TFQAFEQFGQ QLLAHGHYAS PEIKQKLDIL DQERADLEKA DATA SEQUENCE WVQRRXXLDQ CLELQLFHRD CEQAENWXAA REAFLXXXXX XXXXXXXXXX DATA SEQUENCE XXXXEDFDKA INVQEEKIAA LQAFADQLIA AGHYAKGDIS SRRNEVLDRW DATA SEQUENCE RRLKAQ 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 1334 H HA 0.000 nan 4.556 nan 0.000 0.296 1334 H C 0.000 175.310 175.328 -0.031 0.000 0.993 1334 H CA 0.000 56.051 56.048 0.006 0.000 1.023 1334 H CB 0.000 29.766 29.762 0.007 0.000 1.292 1335 S N -0.061 115.553 115.700 -0.143 0.000 2.552 1335 S HA 0.124 4.594 4.470 -0.000 0.000 0.246 1335 S C 1.264 175.649 174.600 -0.359 0.000 1.019 1335 S CA 0.489 58.501 58.200 -0.313 0.000 1.045 1335 S CB -1.012 61.857 63.200 -0.552 0.000 0.784 1335 S HN 0.683 nan 8.310 nan 0.000 0.453 1336 H N 2.181 121.148 119.070 -0.170 0.000 2.265 1336 H HA -0.165 4.391 4.556 -0.000 0.000 0.295 1336 H C 1.256 176.615 175.328 0.053 0.000 1.084 1336 H CA 1.842 57.878 56.048 -0.021 0.000 1.261 1336 H CB 0.209 29.977 29.762 0.010 0.000 1.360 1336 H HN 0.264 nan 8.280 nan 0.000 0.487 1337 D N -0.559 119.902 120.400 0.102 0.000 2.144 1337 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 1337 D C 2.346 178.789 176.300 0.239 0.000 0.984 1337 D CA 1.145 55.192 54.000 0.078 0.000 0.834 1337 D CB -0.404 40.326 40.800 -0.117 0.000 0.955 1337 D HN 0.236 nan 8.370 nan 0.000 0.465 1338 S N -0.794 115.028 115.700 0.204 0.000 2.371 1338 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 1338 S C 1.738 176.510 174.600 0.287 0.000 1.029 1338 S CA 0.964 59.311 58.200 0.246 0.000 0.978 1338 S CB -0.269 63.025 63.200 0.156 0.000 0.833 1338 S HN 0.415 nan 8.310 nan 0.000 0.466 1339 H N 0.054 119.251 119.070 0.212 0.000 2.423 1339 H HA -0.030 4.526 4.556 -0.000 0.000 0.297 1339 H C 1.661 177.126 175.328 0.228 0.000 1.075 1339 H CA 1.130 57.293 56.048 0.193 0.000 1.342 1339 H CB 0.036 29.901 29.762 0.170 0.000 1.395 1339 H HN 0.399 nan 8.280 nan 0.000 0.530 1340 D N 0.632 121.263 120.400 0.385 0.000 2.149 1340 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 1340 D C 2.241 178.670 176.300 0.215 0.000 0.972 1340 D CA 0.337 54.559 54.000 0.370 0.000 0.835 1340 D CB -0.148 40.841 40.800 0.315 0.000 0.966 1340 D HN 0.292 nan 8.370 nan 0.000 0.476 1341 L N 0.715 121.990 121.223 0.087 0.000 2.046 1341 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 1341 L C 2.440 179.410 176.870 0.167 0.000 1.077 1341 L CA 1.383 56.211 54.840 -0.020 0.000 0.747 1341 L CB -0.237 41.838 42.059 0.027 0.000 0.896 1341 L HN 0.081 nan 8.230 nan 0.000 0.432 1342 Q N -0.387 119.543 119.800 0.217 0.000 2.096 1342 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 1342 Q C 2.370 178.511 176.000 0.235 0.000 0.982 1342 Q CA 1.546 57.477 55.803 0.214 0.000 0.850 1342 Q CB -0.062 28.803 28.738 0.212 0.000 0.901 1342 Q HN 0.358 nan 8.270 nan 0.000 0.422 1343 R N -0.437 120.241 120.500 0.298 0.000 2.066 1343 R HA -0.137 4.202 4.340 -0.000 0.000 0.232 1343 R C 2.225 178.804 176.300 0.466 0.000 1.131 1343 R CA 1.405 57.721 56.100 0.360 0.000 0.955 1343 R CB -0.534 30.026 30.300 0.433 0.000 0.851 1343 R HN 0.336 nan 8.270 nan 0.000 0.432 1344 F N 1.650 121.759 119.950 0.265 0.000 2.069 1344 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 1344 F C 2.070 178.034 175.800 0.273 0.000 1.113 1344 F CA 1.600 59.638 58.000 0.063 0.000 1.214 1344 F CB -0.416 38.300 39.000 -0.474 0.000 0.978 1344 F HN -0.053 nan 8.300 nan 0.000 0.474 1345 L N -0.790 120.587 121.223 0.257 0.000 2.083 1345 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 1345 L C 2.733 179.721 176.870 0.198 0.000 1.083 1345 L CA 1.469 56.434 54.840 0.210 0.000 0.752 1345 L CB -1.031 41.155 42.059 0.212 0.000 0.899 1345 L HN 0.271 nan 8.230 nan 0.000 0.433 1346 S N -0.216 115.585 115.700 0.167 0.000 2.368 1346 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 1346 S C 1.613 176.246 174.600 0.054 0.000 1.029 1346 S CA 1.482 59.746 58.200 0.107 0.000 0.988 1346 S CB -0.147 63.114 63.200 0.103 0.000 0.838 1346 S HN 0.378 nan 8.310 nan 0.000 0.462 1347 D N 0.572 121.031 120.400 0.098 0.000 2.097 1347 D HA -0.070 4.570 4.640 -0.000 0.000 0.195 1347 D C 1.548 177.703 176.300 -0.240 0.000 0.989 1347 D CA 1.056 55.064 54.000 0.012 0.000 0.827 1347 D CB -0.623 40.329 40.800 0.254 0.000 0.966 1347 D HN 0.499 nan 8.370 nan 0.000 0.456 1348 F N 1.844 121.559 119.950 -0.391 0.000 2.043 1348 F HA -0.231 4.296 4.527 -0.000 0.000 0.297 1348 F C 2.358 177.973 175.800 -0.309 0.000 1.121 1348 F CA 1.498 59.143 58.000 -0.592 0.000 1.199 1348 F CB -0.183 38.616 39.000 -0.334 0.000 0.968 1348 F HN -0.215 nan 8.300 nan 0.000 0.478 1349 R N 1.060 121.379 120.500 -0.303 0.000 2.096 1349 R HA -0.133 4.206 4.340 -0.000 0.000 0.235 1349 R C 1.856 177.997 176.300 -0.266 0.000 1.127 1349 R CA 1.978 57.886 56.100 -0.321 0.000 0.968 1349 R CB -1.211 29.060 30.300 -0.049 0.000 0.861 1349 R HN 0.325 nan 8.270 nan 0.000 0.440 1350 D N -0.293 119.987 120.400 -0.200 0.000 2.144 1350 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 1350 D C 0.475 176.670 176.300 -0.174 0.000 0.984 1350 D CA 0.611 54.521 54.000 -0.151 0.000 0.834 1350 D CB -0.102 40.622 40.800 -0.127 0.000 0.955 1350 D HN 0.057 nan 8.370 nan 0.000 0.465 1354 W N 3.877 125.107 121.300 -0.117 0.000 2.358 1354 W HA 0.106 4.766 4.660 -0.000 0.000 0.303 1354 W C 1.472 177.965 176.519 -0.044 0.000 1.208 1354 W CA 1.647 58.941 57.345 -0.084 0.000 1.274 1354 W CB -0.445 28.950 29.460 -0.109 0.000 1.138 1354 W HN 0.276 nan 8.180 nan 0.000 0.515 1355 I N 1.245 121.773 120.570 -0.070 0.000 2.286 1355 I HA -0.381 3.789 4.170 -0.000 0.000 0.248 1355 I C 2.122 178.056 176.117 -0.305 0.000 1.115 1355 I CA 1.458 62.589 61.300 -0.282 0.000 1.392 1355 I CB -0.806 37.201 38.000 0.011 0.000 1.065 1355 I HN 0.069 nan 8.210 nan 0.000 0.418 1356 N N 1.310 119.894 118.700 -0.192 0.000 2.069 1356 N HA -0.151 4.589 4.740 -0.000 0.000 0.191 1356 N C 1.910 177.299 175.510 -0.202 0.000 1.031 1356 N CA 1.767 54.721 53.050 -0.159 0.000 0.852 1356 N CB -0.857 37.564 38.487 -0.109 0.000 1.018 1356 N HN 0.430 nan 8.380 nan 0.000 0.423 1357 G N 1.646 110.294 108.800 -0.252 0.000 2.421 1357 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 1357 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 1357 G C 1.445 176.158 174.900 -0.312 0.000 1.171 1357 G CA 0.441 45.390 45.100 -0.252 0.000 0.775 1357 G HN 0.186 nan 8.290 nan 0.000 0.543 1358 I N 0.613 120.890 120.570 -0.489 0.000 2.315 1358 I HA -0.026 4.144 4.170 -0.000 0.000 0.248 1358 I C 2.666 178.627 176.117 -0.260 0.000 1.117 1358 I CA 0.782 61.818 61.300 -0.439 0.000 1.404 1358 I CB -0.944 36.664 38.000 -0.653 0.000 1.071 1358 I HN 0.082 nan 8.210 nan 0.000 0.419 1359 R N 1.629 121.984 120.500 -0.242 0.000 2.083 1359 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 1359 R C 2.341 178.577 176.300 -0.107 0.000 1.137 1359 R CA 1.879 57.895 56.100 -0.139 0.000 0.951 1359 R CB -1.268 28.956 30.300 -0.128 0.000 0.851 1359 R HN 0.372 nan 8.270 nan 0.000 0.434 1360 G N 0.086 108.813 108.800 -0.121 0.000 2.408 1360 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 1360 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 1360 G C 1.341 176.187 174.900 -0.090 0.000 1.150 1360 G CA 0.696 45.740 45.100 -0.093 0.000 0.776 1360 G HN 0.353 nan 8.290 nan 0.000 0.542 1361 L N 0.815 121.964 121.223 -0.123 0.000 2.042 1361 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 1361 L C 2.637 179.469 176.870 -0.063 0.000 1.076 1361 L CA 1.482 56.246 54.840 -0.127 0.000 0.749 1361 L CB -0.353 41.557 42.059 -0.249 0.000 0.893 1361 L HN 0.061 nan 8.230 nan 0.000 0.432 1362 V N -0.296 119.593 119.914 -0.042 0.000 3.461 1362 V HA -0.085 4.035 4.120 -0.000 0.000 0.267 1362 V C 2.370 178.449 176.094 -0.025 0.000 1.186 1362 V CA 1.128 63.446 62.300 0.030 0.000 1.154 1362 V CB -0.531 31.347 31.823 0.092 0.000 0.802 1362 V HN 0.745 nan 8.190 nan 0.000 0.474 1363 S N -1.058 114.614 115.700 -0.046 0.000 2.561 1363 S HA 0.013 4.483 4.470 -0.000 0.000 0.225 1363 S C 1.210 175.770 174.600 -0.067 0.000 0.977 1363 S CA 0.506 58.672 58.200 -0.057 0.000 0.926 1363 S CB -0.256 62.911 63.200 -0.055 0.000 0.769 1363 S HN 0.441 nan 8.310 nan 0.000 0.533 1364 S N 1.148 116.810 115.700 -0.062 0.000 2.558 1364 S HA 0.016 4.486 4.470 -0.000 0.000 0.287 1364 S C 0.246 174.790 174.600 -0.093 0.000 1.321 1364 S CA -0.021 58.140 58.200 -0.065 0.000 1.048 1364 S CB 0.188 63.360 63.200 -0.047 0.000 0.844 1364 S HN 0.415 nan 8.310 nan 0.000 0.512 1365 D N 1.447 121.794 120.400 -0.088 0.000 2.431 1365 D HA 0.139 4.779 4.640 -0.000 0.000 0.213 1365 D C -0.341 175.895 176.300 -0.106 0.000 1.130 1365 D CA -0.085 53.849 54.000 -0.110 0.000 0.834 1365 D CB 0.288 41.029 40.800 -0.098 0.000 0.985 1365 D HN 0.567 nan 8.370 nan 0.000 0.504 1366 E N 1.099 121.249 120.200 -0.084 0.000 2.351 1366 E HA 0.172 4.522 4.350 -0.000 0.000 0.266 1366 E C 0.264 176.817 176.600 -0.079 0.000 1.031 1366 E CA 0.258 56.618 56.400 -0.066 0.000 0.911 1366 E CB 1.379 31.054 29.700 -0.041 0.000 0.986 1366 E HN 0.243 nan 8.360 nan 0.000 0.446 1367 L N 1.364 122.548 121.223 -0.065 0.000 2.354 1367 L HA 0.589 4.929 4.340 -0.000 0.000 0.269 1367 L C 0.323 177.187 176.870 -0.010 0.000 1.005 1367 L CA -1.134 53.675 54.840 -0.052 0.000 0.819 1367 L CB 1.850 43.866 42.059 -0.071 0.000 1.311 1367 L HN 0.451 nan 8.230 nan 0.000 0.423 1368 A N 1.638 124.463 122.820 0.009 0.000 2.272 1368 A HA 0.465 4.785 4.320 -0.000 0.000 0.275 1368 A C 0.231 177.845 177.584 0.050 0.000 1.096 1368 A CA -0.332 51.720 52.037 0.026 0.000 0.822 1368 A CB 0.406 19.421 19.000 0.026 0.000 1.088 1368 A HN 0.852 nan 8.150 nan 0.000 0.495 1369 K N 0.186 120.619 120.400 0.054 0.000 2.792 1369 K HA 0.444 4.764 4.320 -0.000 0.000 0.207 1369 K C -1.274 175.372 176.600 0.076 0.000 1.103 1369 K CA -0.245 56.089 56.287 0.078 0.000 1.048 1369 K CB 0.236 32.774 32.500 0.063 0.000 0.777 1369 K HN 0.540 nan 8.250 nan 0.000 0.468 1370 D N -0.884 119.555 120.400 0.066 0.000 2.677 1370 D HA 0.262 4.902 4.640 -0.000 0.000 0.298 1370 D C 0.159 176.491 176.300 0.053 0.000 1.250 1370 D CA -0.650 53.384 54.000 0.056 0.000 0.888 1370 D CB 2.280 43.104 40.800 0.040 0.000 1.397 1370 D HN -0.176 nan 8.370 nan 0.000 0.461 1371 V N -0.292 119.651 119.914 0.047 0.000 3.048 1371 V HA 0.018 4.138 4.120 -0.000 0.000 0.241 1371 V C 1.902 178.016 176.094 0.033 0.000 1.129 1371 V CA 1.118 63.444 62.300 0.044 0.000 1.128 1371 V CB 0.285 32.135 31.823 0.044 0.000 0.849 1371 V HN 0.654 nan 8.190 nan 0.000 0.475 1372 T N 0.470 115.041 114.554 0.029 0.000 2.867 1372 T HA -0.069 4.281 4.350 -0.000 0.000 0.268 1372 T C 1.824 176.536 174.700 0.021 0.000 1.057 1372 T CA 1.572 63.686 62.100 0.022 0.000 1.136 1372 T CB -0.312 68.568 68.868 0.020 0.000 0.874 1372 T HN 0.584 nan 8.240 nan 0.000 0.466 1373 G N 0.847 109.661 108.800 0.024 0.000 2.394 1373 G HA2 0.048 4.008 3.960 -0.000 0.000 0.215 1373 G HA3 0.048 4.008 3.960 -0.000 0.000 0.215 1373 G C 1.787 176.697 174.900 0.017 0.000 1.165 1373 G CA 0.719 45.831 45.100 0.020 0.000 0.784 1373 G HN 0.542 nan 8.290 nan 0.000 0.535 1374 A N 0.450 123.284 122.820 0.023 0.000 2.015 1374 A HA 0.051 4.370 4.320 -0.000 0.000 0.219 1374 A C 2.077 179.670 177.584 0.015 0.000 1.163 1374 A CA 1.909 53.958 52.037 0.020 0.000 0.646 1374 A CB -0.276 18.745 19.000 0.035 0.000 0.806 1374 A HN 0.451 nan 8.150 nan 0.000 0.448 1375 E N -0.498 119.713 120.200 0.019 0.000 2.112 1375 E HA 0.031 4.381 4.350 -0.000 0.000 0.190 1375 E C 2.140 178.749 176.600 0.015 0.000 0.979 1375 E CA 0.719 57.130 56.400 0.019 0.000 0.814 1375 E CB -0.155 29.557 29.700 0.020 0.000 0.762 1375 E HN 0.570 nan 8.360 nan 0.000 0.460 1376 A N 0.448 123.275 122.820 0.012 0.000 1.969 1376 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 1376 A C 1.975 179.560 177.584 0.002 0.000 1.169 1376 A CA 0.713 52.755 52.037 0.008 0.000 0.635 1376 A CB -0.335 18.671 19.000 0.010 0.000 0.810 1376 A HN 0.227 nan 8.150 nan 0.000 0.445 1377 L N -0.407 120.815 121.223 -0.002 0.000 2.083 1377 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 1377 L C 2.396 179.258 176.870 -0.014 0.000 1.083 1377 L CA 1.429 56.259 54.840 -0.016 0.000 0.752 1377 L CB -0.626 41.414 42.059 -0.031 0.000 0.899 1377 L HN 0.386 nan 8.230 nan 0.000 0.433 1378 L N -1.239 119.983 121.223 -0.001 0.000 2.072 1378 L HA -0.199 4.141 4.340 -0.000 0.000 0.205 1378 L C 2.481 179.384 176.870 0.055 0.000 1.079 1378 L CA 1.153 56.011 54.840 0.030 0.000 0.752 1378 L CB -0.398 41.678 42.059 0.029 0.000 0.906 1378 L HN 0.340 nan 8.230 nan 0.000 0.436 1379 E N 0.328 120.545 120.200 0.027 0.000 2.118 1379 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 1379 E C 2.319 178.911 176.600 -0.015 0.000 0.992 1379 E CA 1.234 57.646 56.400 0.019 0.000 0.804 1379 E CB 0.141 29.847 29.700 0.011 0.000 0.741 1379 E HN 0.358 nan 8.360 nan 0.000 0.458 1380 R N -1.063 119.406 120.500 -0.052 0.000 2.090 1380 R HA -0.109 4.231 4.340 -0.000 0.000 0.228 1380 R C 2.382 178.455 176.300 -0.379 0.000 1.110 1380 R CA 1.321 57.306 56.100 -0.191 0.000 0.973 1380 R CB -0.319 29.901 30.300 -0.134 0.000 0.869 1380 R HN 0.248 nan 8.270 nan 0.000 0.440 1381 H N 0.643 119.580 119.070 -0.221 0.000 2.423 1381 H HA -0.024 4.532 4.556 -0.000 0.000 0.297 1381 H C 1.833 177.290 175.328 0.215 0.000 1.075 1381 H CA 1.302 57.309 56.048 -0.069 0.000 1.342 1381 H CB 0.256 29.956 29.762 -0.104 0.000 1.395 1381 H HN 0.031 nan 8.280 nan 0.000 0.530 1382 Q N 0.345 120.243 119.800 0.165 0.000 2.172 1382 Q HA -0.085 4.255 4.340 -0.000 0.000 0.200 1382 Q C 2.011 178.058 176.000 0.079 0.000 0.964 1382 Q CA 1.071 56.987 55.803 0.188 0.000 0.855 1382 Q CB 0.062 28.885 28.738 0.142 0.000 0.918 1382 Q HN 0.683 nan 8.270 nan 0.000 0.444 1383 E N -0.579 119.617 120.200 -0.006 0.000 2.150 1383 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 1383 E C 1.695 178.366 176.600 0.119 0.000 0.985 1383 E CA 0.669 57.077 56.400 0.013 0.000 0.814 1383 E CB -0.077 29.605 29.700 -0.030 0.000 0.752 1383 E HN 0.608 nan 8.360 nan 0.000 0.466 1384 H N -0.602 118.539 119.070 0.119 0.000 2.428 1384 H HA -0.002 4.554 4.556 -0.000 0.000 0.296 1384 H C 2.162 177.509 175.328 0.032 0.000 1.062 1384 H CA 0.466 56.586 56.048 0.119 0.000 1.350 1384 H CB 0.249 30.119 29.762 0.180 0.000 1.403 1384 H HN -0.110 nan 8.280 nan 0.000 0.533 1385 R N 1.081 121.625 120.500 0.074 0.000 2.081 1385 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 1385 R C 1.993 178.183 176.300 -0.183 0.000 1.131 1385 R CA 1.942 57.821 56.100 -0.369 0.000 0.960 1385 R CB -0.914 29.102 30.300 -0.473 0.000 0.856 1385 R HN 0.143 nan 8.270 nan 0.000 0.436 1386 T N 0.611 115.136 114.554 -0.049 0.000 2.867 1386 T HA -0.126 4.223 4.350 -0.000 0.000 0.268 1386 T C 1.512 176.232 174.700 0.034 0.000 1.057 1386 T CA 1.510 63.601 62.100 -0.015 0.000 1.136 1386 T CB -0.188 68.686 68.868 0.011 0.000 0.874 1386 T HN 0.549 nan 8.240 nan 0.000 0.466 1387 E N 0.719 120.979 120.200 0.099 0.000 2.107 1387 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 1387 E C 2.062 178.812 176.600 0.251 0.000 0.982 1387 E CA 0.734 57.237 56.400 0.172 0.000 0.809 1387 E CB -0.238 29.605 29.700 0.239 0.000 0.756 1387 E HN 0.478 nan 8.360 nan 0.000 0.459 1388 I N 1.502 122.210 120.570 0.230 0.000 2.252 1388 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 1388 I C 1.644 177.865 176.117 0.174 0.000 1.102 1388 I CA 1.165 62.667 61.300 0.338 0.000 1.385 1388 I CB -0.173 37.893 38.000 0.111 0.000 1.064 1388 I HN 0.107 nan 8.210 nan 0.000 0.414 1389 D N 1.047 121.463 120.400 0.027 0.000 2.264 1389 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 1389 D C 2.138 178.437 176.300 -0.001 0.000 0.966 1389 D CA 1.132 55.127 54.000 -0.008 0.000 0.864 1389 D CB -0.076 40.686 40.800 -0.064 0.000 0.933 1389 D HN 0.316 nan 8.370 nan 0.000 0.499 1390 A N 0.394 123.212 122.820 -0.003 0.000 2.172 1390 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 1390 A C 1.968 179.494 177.584 -0.097 0.000 1.154 1390 A CA 0.858 52.872 52.037 -0.038 0.000 0.701 1390 A CB -0.077 18.905 19.000 -0.030 0.000 0.789 1390 A HN -0.076 nan 8.150 nan 0.000 0.465 1391 R N -0.586 119.840 120.500 -0.123 0.000 2.300 1391 R HA 0.336 4.676 4.340 -0.000 0.000 0.199 1391 R C 2.019 178.300 176.300 -0.032 0.000 0.920 1391 R CA 0.652 56.588 56.100 -0.272 0.000 1.046 1391 R CB -0.976 28.942 30.300 -0.636 0.000 0.984 1391 R HN 0.446 nan 8.270 nan 0.000 0.493 1392 A N -0.067 122.797 122.820 0.073 0.000 1.884 1392 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 1392 A C 2.260 179.907 177.584 0.104 0.000 1.197 1392 A CA 2.082 54.199 52.037 0.133 0.000 0.637 1392 A CB -1.266 17.768 19.000 0.057 0.000 0.827 1392 A HN 0.398 nan 8.150 nan 0.000 0.450 1393 G N -1.660 107.152 108.800 0.021 0.000 2.422 1393 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 1393 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 1393 G C 1.545 176.439 174.900 -0.010 0.000 1.146 1393 G CA 1.660 46.765 45.100 0.008 0.000 0.769 1393 G HN 0.465 nan 8.290 nan 0.000 0.547 1394 T N 1.080 115.573 114.554 -0.103 0.000 2.708 1394 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 1394 T C 2.036 176.658 174.700 -0.129 0.000 1.037 1394 T CA 0.999 62.981 62.100 -0.197 0.000 1.146 1394 T CB -0.325 68.281 68.868 -0.436 0.000 0.865 1394 T HN 0.193 nan 8.240 nan 0.000 0.435 1395 F N 1.753 121.685 119.950 -0.031 0.000 2.134 1395 F HA -0.071 4.456 4.527 -0.000 0.000 0.299 1395 F C 2.763 178.649 175.800 0.144 0.000 1.097 1395 F CA 0.848 58.882 58.000 0.056 0.000 1.264 1395 F CB -0.512 38.500 39.000 0.021 0.000 1.001 1395 F HN 0.049 nan 8.300 nan 0.000 0.479 1396 Q N -0.165 119.794 119.800 0.264 0.000 2.167 1396 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 1396 Q C 2.515 178.617 176.000 0.172 0.000 0.970 1396 Q CA 1.262 57.178 55.803 0.189 0.000 0.855 1396 Q CB -0.877 27.932 28.738 0.118 0.000 0.911 1396 Q HN 0.423 nan 8.270 nan 0.000 0.438 1397 A N 0.095 123.005 122.820 0.150 0.000 1.930 1397 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 1397 A C 1.897 179.624 177.584 0.238 0.000 1.175 1397 A CA 0.988 53.107 52.037 0.136 0.000 0.627 1397 A CB -0.682 18.363 19.000 0.074 0.000 0.815 1397 A HN 0.338 nan 8.150 nan 0.000 0.443 1398 F N 1.093 121.127 119.950 0.141 0.000 2.113 1398 F HA -0.104 4.423 4.527 -0.000 0.000 0.297 1398 F C 2.206 178.165 175.800 0.265 0.000 1.103 1398 F CA 1.990 60.117 58.000 0.212 0.000 1.248 1398 F CB -0.283 38.795 39.000 0.131 0.000 0.999 1398 F HN 0.358 nan 8.300 nan 0.000 0.475 1399 E N -0.405 119.926 120.200 0.218 0.000 2.077 1399 E HA -0.312 4.038 4.350 -0.000 0.000 0.193 1399 E C 2.070 178.702 176.600 0.053 0.000 0.989 1399 E CA 1.383 57.844 56.400 0.102 0.000 0.800 1399 E CB -0.379 29.415 29.700 0.156 0.000 0.746 1399 E HN 0.407 nan 8.360 nan 0.000 0.452 1400 Q N 0.601 120.463 119.800 0.104 0.000 2.084 1400 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 1400 Q C 1.868 177.958 176.000 0.149 0.000 0.978 1400 Q CA 1.303 57.165 55.803 0.099 0.000 0.844 1400 Q CB -0.408 28.389 28.738 0.098 0.000 0.898 1400 Q HN 0.248 nan 8.270 nan 0.000 0.426 1401 F N 0.233 120.169 119.950 -0.023 0.000 2.095 1401 F HA -0.000 4.527 4.527 -0.000 0.000 0.298 1401 F C 1.958 177.707 175.800 -0.084 0.000 1.104 1401 F CA 1.861 59.850 58.000 -0.019 0.000 1.232 1401 F CB -1.096 37.918 39.000 0.024 0.000 0.987 1401 F HN 0.197 nan 8.300 nan 0.000 0.475 1402 G N -0.544 108.163 108.800 -0.155 0.000 2.432 1402 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 1402 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 1402 G C 1.592 176.333 174.900 -0.264 0.000 1.135 1402 G CA 0.696 45.557 45.100 -0.398 0.000 0.767 1402 G HN 0.503 nan 8.290 nan 0.000 0.550 1403 Q N -0.264 119.471 119.800 -0.108 0.000 2.084 1403 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 1403 Q C 2.597 178.548 176.000 -0.081 0.000 0.978 1403 Q CA 1.423 57.178 55.803 -0.081 0.000 0.844 1403 Q CB -0.123 28.598 28.738 -0.029 0.000 0.898 1403 Q HN 0.620 nan 8.270 nan 0.000 0.426 1404 Q N -0.008 119.792 119.800 0.001 0.000 2.079 1404 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 1404 Q C 2.252 178.311 176.000 0.097 0.000 0.974 1404 Q CA 1.185 57.035 55.803 0.080 0.000 0.840 1404 Q CB -0.004 28.878 28.738 0.239 0.000 0.898 1404 Q HN 0.404 nan 8.270 nan 0.000 0.430 1405 L N -0.031 121.166 121.223 -0.044 0.000 2.046 1405 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 1405 L C 2.151 178.936 176.870 -0.141 0.000 1.077 1405 L CA 0.559 55.308 54.840 -0.151 0.000 0.747 1405 L CB -0.350 41.373 42.059 -0.561 0.000 0.896 1405 L HN 0.253 nan 8.230 nan 0.000 0.432 1406 L N 0.003 121.102 121.223 -0.206 0.000 2.027 1406 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 1406 L C 2.790 179.576 176.870 -0.139 0.000 1.074 1406 L CA 2.027 56.765 54.840 -0.170 0.000 0.745 1406 L CB -1.398 40.556 42.059 -0.176 0.000 0.898 1406 L HN 0.161 nan 8.230 nan 0.000 0.433 1407 A N -1.471 121.236 122.820 -0.188 0.000 1.972 1407 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 1407 A C 1.765 179.152 177.584 -0.328 0.000 1.169 1407 A CA 1.560 53.431 52.037 -0.276 0.000 0.635 1407 A CB -0.907 17.865 19.000 -0.380 0.000 0.810 1407 A HN 0.628 nan 8.150 nan 0.000 0.446 1408 H N -1.332 117.711 119.070 -0.044 0.000 2.524 1408 H HA 0.384 4.940 4.556 -0.000 0.000 0.280 1408 H C 1.302 176.602 175.328 -0.046 0.000 1.018 1408 H CA 0.271 56.296 56.048 -0.039 0.000 1.165 1408 H CB 0.072 29.812 29.762 -0.037 0.000 1.411 1408 H HN 0.573 nan 8.280 nan 0.000 0.569 1409 G N 1.479 110.285 108.800 0.009 0.000 2.314 1409 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.292 1409 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.292 1409 G C -0.263 174.635 174.900 -0.004 0.000 1.059 1409 G CA 0.275 45.371 45.100 -0.005 0.000 0.982 1409 G HN 0.695 nan 8.290 nan 0.000 0.505 1410 H N -0.529 118.461 119.070 -0.134 0.000 3.001 1410 H HA 0.211 4.766 4.556 -0.000 0.000 0.334 1410 H C 1.819 177.019 175.328 -0.213 0.000 1.034 1410 H CA 0.851 56.754 56.048 -0.243 0.000 1.420 1410 H CB 0.272 29.809 29.762 -0.374 0.000 1.405 1410 H HN 0.553 nan 8.280 nan 0.000 0.593 1411 Y N 2.338 122.476 120.300 -0.269 0.000 2.465 1411 Y HA -0.063 4.487 4.550 -0.000 0.000 0.289 1411 Y C 1.611 177.517 175.900 0.011 0.000 1.150 1411 Y CA 0.620 58.646 58.100 -0.124 0.000 1.293 1411 Y CB -0.536 37.817 38.460 -0.179 0.000 0.977 1411 Y HN 0.489 nan 8.280 nan 0.000 0.556 1412 A N -0.440 122.417 122.820 0.061 0.000 2.460 1412 A HA 0.262 4.582 4.320 -0.000 0.000 0.258 1412 A C 1.921 179.467 177.584 -0.063 0.000 1.300 1412 A CA 0.324 52.406 52.037 0.075 0.000 0.913 1412 A CB -0.694 18.314 19.000 0.013 0.000 1.031 1412 A HN 0.379 nan 8.150 nan 0.000 0.512 1413 S N 1.607 117.270 115.700 -0.062 0.000 2.381 1413 S HA -0.159 4.311 4.470 -0.000 0.000 0.230 1413 S C -0.360 174.170 174.600 -0.117 0.000 1.052 1413 S CA 2.294 60.416 58.200 -0.130 0.000 1.068 1413 S CB -0.923 62.227 63.200 -0.082 0.000 0.918 1413 S HN 0.513 nan 8.310 nan 0.000 0.448 1414 P HA -0.092 nan 4.420 nan 0.000 0.214 1414 P C 1.239 178.502 177.300 -0.060 0.000 1.163 1414 P CA 1.220 64.292 63.100 -0.046 0.000 0.889 1414 P CB -0.039 31.652 31.700 -0.015 0.000 0.790 1415 E N -0.916 119.250 120.200 -0.057 0.000 2.110 1415 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 1415 E C 2.009 178.546 176.600 -0.105 0.000 0.988 1415 E CA 0.856 57.220 56.400 -0.059 0.000 0.804 1415 E CB -0.945 28.738 29.700 -0.029 0.000 0.745 1415 E HN 0.255 nan 8.360 nan 0.000 0.458 1416 I N 0.639 121.080 120.570 -0.214 0.000 2.202 1416 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 1416 I C 2.424 178.422 176.117 -0.197 0.000 1.091 1416 I CA 1.095 62.162 61.300 -0.388 0.000 1.368 1416 I CB -0.180 37.347 38.000 -0.788 0.000 1.058 1416 I HN 0.043 nan 8.210 nan 0.000 0.410 1417 K N 0.699 121.001 120.400 -0.163 0.000 2.097 1417 K HA -0.230 4.090 4.320 -0.000 0.000 0.206 1417 K C 2.129 178.714 176.600 -0.025 0.000 1.049 1417 K CA 1.508 57.746 56.287 -0.082 0.000 0.933 1417 K CB -0.015 32.440 32.500 -0.076 0.000 0.717 1417 K HN 0.374 nan 8.250 nan 0.000 0.442 1418 Q N 0.135 119.913 119.800 -0.037 0.000 2.096 1418 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 1418 Q C 1.902 177.885 176.000 -0.029 0.000 0.982 1418 Q CA 1.356 57.146 55.803 -0.022 0.000 0.850 1418 Q CB 0.110 28.830 28.738 -0.031 0.000 0.901 1418 Q HN 0.093 nan 8.270 nan 0.000 0.422 1419 K N 0.585 120.935 120.400 -0.083 0.000 2.097 1419 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 1419 K C 2.021 178.667 176.600 0.077 0.000 1.050 1419 K CA 0.910 57.034 56.287 -0.271 0.000 0.938 1419 K CB -0.375 31.834 32.500 -0.485 0.000 0.718 1419 K HN 0.265 nan 8.250 nan 0.000 0.442 1420 L N 1.178 122.509 121.223 0.180 0.000 2.046 1420 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 1420 L C 1.873 178.852 176.870 0.181 0.000 1.077 1420 L CA 1.267 56.253 54.840 0.243 0.000 0.747 1420 L CB -0.508 41.638 42.059 0.145 0.000 0.896 1420 L HN 0.117 nan 8.230 nan 0.000 0.432 1421 D N 0.341 120.807 120.400 0.110 0.000 2.123 1421 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 1421 D C 2.264 178.633 176.300 0.115 0.000 0.992 1421 D CA 1.342 55.395 54.000 0.088 0.000 0.833 1421 D CB -0.122 40.711 40.800 0.054 0.000 0.954 1421 D HN 0.325 nan 8.370 nan 0.000 0.455 1422 I N 0.231 120.889 120.570 0.148 0.000 2.179 1422 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 1422 I C 2.345 178.604 176.117 0.236 0.000 1.088 1422 I CA 0.493 61.911 61.300 0.196 0.000 1.357 1422 I CB -0.090 38.073 38.000 0.271 0.000 1.051 1422 I HN -0.015 nan 8.210 nan 0.000 0.409 1423 L N 0.745 122.174 121.223 0.343 0.000 2.083 1423 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 1423 L C 1.951 178.901 176.870 0.133 0.000 1.083 1423 L CA 1.944 56.950 54.840 0.277 0.000 0.752 1423 L CB -0.767 41.533 42.059 0.402 0.000 0.899 1423 L HN 0.198 nan 8.230 nan 0.000 0.433 1424 D N -1.092 119.386 120.400 0.130 0.000 2.123 1424 D HA -0.235 4.405 4.640 -0.000 0.000 0.196 1424 D C 2.093 178.409 176.300 0.027 0.000 0.992 1424 D CA 1.150 55.184 54.000 0.057 0.000 0.833 1424 D CB 0.000 40.839 40.800 0.064 0.000 0.954 1424 D HN 0.354 nan 8.370 nan 0.000 0.455 1425 Q N 0.567 120.398 119.800 0.050 0.000 2.046 1425 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 1425 Q C 1.869 177.882 176.000 0.021 0.000 0.975 1425 Q CA 1.205 57.030 55.803 0.035 0.000 0.836 1425 Q CB -0.028 28.739 28.738 0.049 0.000 0.896 1425 Q HN 0.102 nan 8.270 nan 0.000 0.428 1426 E N 0.138 120.357 120.200 0.031 0.000 2.077 1426 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 1426 E C 2.052 178.638 176.600 -0.023 0.000 0.989 1426 E CA 1.024 57.430 56.400 0.011 0.000 0.800 1426 E CB -0.107 29.607 29.700 0.022 0.000 0.746 1426 E HN 0.395 nan 8.360 nan 0.000 0.452 1427 R N 0.385 120.846 120.500 -0.065 0.000 2.075 1427 R HA -0.045 4.294 4.340 -0.000 0.000 0.232 1427 R C 2.382 178.633 176.300 -0.082 0.000 1.126 1427 R CA 1.165 57.177 56.100 -0.147 0.000 0.963 1427 R CB -0.338 29.771 30.300 -0.318 0.000 0.858 1427 R HN 0.086 nan 8.270 nan 0.000 0.435 1428 A N 1.615 124.406 122.820 -0.048 0.000 1.902 1428 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 1428 A C 1.543 179.128 177.584 0.001 0.000 1.181 1428 A CA 1.775 53.801 52.037 -0.019 0.000 0.623 1428 A CB -0.356 18.641 19.000 -0.006 0.000 0.818 1428 A HN 0.161 nan 8.150 nan 0.000 0.443 1429 D N -0.552 119.849 120.400 0.002 0.000 2.178 1429 D HA -0.099 4.541 4.640 -0.000 0.000 0.202 1429 D C 1.808 178.118 176.300 0.018 0.000 0.974 1429 D CA 1.072 55.078 54.000 0.010 0.000 0.841 1429 D CB -0.290 40.512 40.800 0.004 0.000 0.953 1429 D HN 0.377 nan 8.370 nan 0.000 0.478 1430 L N 1.266 122.492 121.223 0.006 0.000 2.027 1430 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 1430 L C 2.121 179.039 176.870 0.080 0.000 1.074 1430 L CA 1.802 56.652 54.840 0.017 0.000 0.745 1430 L CB -0.638 41.409 42.059 -0.021 0.000 0.898 1430 L HN -0.192 nan 8.230 nan 0.000 0.433 1431 E N 0.128 120.362 120.200 0.057 0.000 2.085 1431 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 1431 E C 2.120 178.819 176.600 0.165 0.000 0.994 1431 E CA 1.857 58.313 56.400 0.093 0.000 0.801 1431 E CB -0.168 29.549 29.700 0.028 0.000 0.743 1431 E HN 0.537 nan 8.360 nan 0.000 0.453 1432 K N -0.244 120.219 120.400 0.106 0.000 2.148 1432 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 1432 K C 2.141 178.805 176.600 0.107 0.000 1.050 1432 K CA 1.007 57.354 56.287 0.099 0.000 0.942 1432 K CB -0.130 32.403 32.500 0.054 0.000 0.724 1432 K HN 0.196 nan 8.250 nan 0.000 0.446 1433 A N 0.573 123.455 122.820 0.104 0.000 1.929 1433 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 1433 A C 1.894 179.558 177.584 0.134 0.000 1.176 1433 A CA 0.879 52.964 52.037 0.080 0.000 0.628 1433 A CB -0.720 18.311 19.000 0.051 0.000 0.816 1433 A HN 0.574 nan 8.150 nan 0.000 0.444 1434 W N 0.362 121.697 121.300 0.059 0.000 2.381 1434 W HA -0.133 4.527 4.660 -0.000 0.000 0.301 1434 W C 1.933 178.572 176.519 0.201 0.000 1.205 1434 W CA 1.987 59.411 57.345 0.132 0.000 1.285 1434 W CB -0.129 29.342 29.460 0.018 0.000 1.133 1434 W HN 0.096 nan 8.180 nan 0.000 0.521 1435 V N 0.712 120.849 119.914 0.372 0.000 2.295 1435 V HA -0.343 3.777 4.120 -0.000 0.000 0.246 1435 V C 2.348 178.437 176.094 -0.009 0.000 1.049 1435 V CA 2.367 64.800 62.300 0.222 0.000 1.024 1435 V CB -1.120 30.852 31.823 0.247 0.000 0.648 1435 V HN 0.244 nan 8.190 nan 0.000 0.447 1436 Q N 0.707 120.503 119.800 -0.007 0.000 2.061 1436 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 1436 Q C 2.203 178.109 176.000 -0.156 0.000 0.984 1436 Q CA 2.249 58.014 55.803 -0.063 0.000 0.846 1436 Q CB -0.423 28.290 28.738 -0.042 0.000 0.902 1436 Q HN 0.496 nan 8.270 nan 0.000 0.421 1437 R N 0.246 120.613 120.500 -0.221 0.000 2.092 1437 R HA -0.024 4.316 4.340 -0.000 0.000 0.231 1437 R C 0.725 176.677 176.300 -0.580 0.000 1.119 1437 R CA 0.998 56.861 56.100 -0.395 0.000 0.970 1437 R CB -0.392 29.638 30.300 -0.450 0.000 0.864 1437 R HN 0.182 nan 8.270 nan 0.000 0.440 1442 D N 1.051 121.427 120.400 -0.041 0.000 2.097 1442 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 1442 D C 1.794 178.131 176.300 0.061 0.000 0.984 1442 D CA 1.398 55.406 54.000 0.013 0.000 0.826 1442 D CB 0.117 40.923 40.800 0.010 0.000 0.973 1442 D HN 0.382 nan 8.370 nan 0.000 0.460 1443 Q N -0.162 119.671 119.800 0.055 0.000 2.291 1443 Q HA -0.104 4.236 4.340 -0.000 0.000 0.206 1443 Q C 2.316 178.449 176.000 0.221 0.000 0.976 1443 Q CA 0.623 56.475 55.803 0.082 0.000 0.875 1443 Q CB -0.105 28.550 28.738 -0.137 0.000 0.927 1443 Q HN 0.316 nan 8.270 nan 0.000 0.450 1444 C N 0.074 119.501 119.300 0.213 0.000 2.476 1444 C HA -0.072 4.388 4.460 -0.000 0.000 0.278 1444 C C 2.446 177.508 174.990 0.119 0.000 1.274 1444 C CA 0.391 59.535 59.018 0.209 0.000 1.713 1444 C CB -0.897 26.905 27.740 0.103 0.000 2.039 1444 C HN 0.540 nan 8.230 nan 0.000 0.484 1445 L N 1.645 122.922 121.223 0.091 0.000 2.012 1445 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 1445 L C 2.486 179.422 176.870 0.110 0.000 1.073 1445 L CA 2.281 57.169 54.840 0.080 0.000 0.748 1445 L CB -1.094 41.005 42.059 0.066 0.000 0.891 1445 L HN 0.442 nan 8.230 nan 0.000 0.431 1446 E N -0.784 119.501 120.200 0.141 0.000 2.085 1446 E HA -0.285 4.065 4.350 -0.000 0.000 0.194 1446 E C 2.153 178.782 176.600 0.049 0.000 0.994 1446 E CA 1.564 58.078 56.400 0.190 0.000 0.801 1446 E CB -0.400 29.402 29.700 0.171 0.000 0.743 1446 E HN 0.429 nan 8.360 nan 0.000 0.453 1447 L N 1.072 122.260 121.223 -0.058 0.000 2.141 1447 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 1447 L C 2.073 178.780 176.870 -0.271 0.000 1.094 1447 L CA 1.578 56.254 54.840 -0.273 0.000 0.763 1447 L CB -0.065 41.856 42.059 -0.229 0.000 0.908 1447 L HN 0.014 nan 8.230 nan 0.000 0.437 1448 Q N -0.721 119.030 119.800 -0.082 0.000 2.245 1448 Q HA -0.029 4.311 4.340 -0.000 0.000 0.201 1448 Q C 2.297 178.344 176.000 0.079 0.000 0.955 1448 Q CA 1.218 57.014 55.803 -0.012 0.000 0.870 1448 Q CB -0.147 28.617 28.738 0.042 0.000 0.945 1448 Q HN 0.525 nan 8.270 nan 0.000 0.461 1449 L N -0.595 120.712 121.223 0.141 0.000 2.240 1449 L HA -0.060 4.280 4.340 -0.000 0.000 0.211 1449 L C 2.094 179.162 176.870 0.331 0.000 1.106 1449 L CA 0.455 55.421 54.840 0.211 0.000 0.793 1449 L CB -0.276 41.925 42.059 0.236 0.000 0.927 1449 L HN 0.094 nan 8.230 nan 0.000 0.446 1450 F N 0.068 120.108 119.950 0.149 0.000 2.206 1450 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 1450 F C 2.439 178.298 175.800 0.099 0.000 1.090 1450 F CA 1.486 59.509 58.000 0.037 0.000 1.323 1450 F CB -0.318 38.449 39.000 -0.390 0.000 1.028 1450 F HN 0.087 nan 8.300 nan 0.000 0.492 1451 H N 0.211 119.223 119.070 -0.097 0.000 2.353 1451 H HA -0.119 4.437 4.556 -0.000 0.000 0.300 1451 H C 2.187 177.416 175.328 -0.164 0.000 1.090 1451 H CA 1.170 57.106 56.048 -0.188 0.000 1.327 1451 H CB -0.106 29.639 29.762 -0.028 0.000 1.383 1451 H HN 0.281 nan 8.280 nan 0.000 0.508 1452 R N 0.852 121.390 120.500 0.063 0.000 2.285 1452 R HA -0.078 4.262 4.340 -0.000 0.000 0.213 1452 R C 0.693 176.972 176.300 -0.036 0.000 1.068 1452 R CA 1.529 57.638 56.100 0.016 0.000 1.004 1452 R CB 0.076 30.398 30.300 0.037 0.000 0.873 1452 R HN 0.257 nan 8.270 nan 0.000 0.467 1453 D N 0.813 121.169 120.400 -0.073 0.000 2.162 1453 D HA -0.000 4.640 4.640 -0.000 0.000 0.205 1453 D C 1.624 177.811 176.300 -0.189 0.000 0.964 1453 D CA 0.745 54.683 54.000 -0.103 0.000 0.847 1453 D CB -0.289 40.488 40.800 -0.038 0.000 0.988 1453 D HN 0.218 nan 8.370 nan 0.000 0.480 1454 C N 1.004 120.112 119.300 -0.321 0.000 2.419 1454 C HA -0.037 4.423 4.460 -0.000 0.000 0.283 1454 C C 2.333 177.224 174.990 -0.164 0.000 1.373 1454 C CA 0.512 59.343 59.018 -0.310 0.000 1.781 1454 C CB -0.692 26.780 27.740 -0.447 0.000 1.886 1454 C HN 0.389 nan 8.230 nan 0.000 0.520 1455 E N 0.044 120.171 120.200 -0.122 0.000 2.190 1455 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 1455 E C 2.201 178.788 176.600 -0.023 0.000 0.978 1455 E CA 0.598 56.962 56.400 -0.060 0.000 0.839 1455 E CB -0.153 29.521 29.700 -0.044 0.000 0.787 1455 E HN 0.679 nan 8.360 nan 0.000 0.473 1456 Q N 0.385 120.163 119.800 -0.037 0.000 2.167 1456 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 1456 Q C 2.039 178.039 176.000 -0.001 0.000 0.970 1456 Q CA 1.324 57.118 55.803 -0.015 0.000 0.855 1456 Q CB 0.001 28.710 28.738 -0.049 0.000 0.911 1456 Q HN 0.187 nan 8.270 nan 0.000 0.438 1457 A N 0.312 123.098 122.820 -0.055 0.000 2.081 1457 A HA -0.085 4.235 4.320 -0.000 0.000 0.214 1457 A C 1.705 179.343 177.584 0.090 0.000 1.158 1457 A CA 0.718 52.715 52.037 -0.066 0.000 0.724 1457 A CB 0.030 18.914 19.000 -0.193 0.000 0.826 1457 A HN 0.240 nan 8.150 nan 0.000 0.463 1458 E N -0.044 120.191 120.200 0.058 0.000 2.140 1458 E HA -0.031 4.319 4.350 -0.000 0.000 0.191 1458 E C 1.624 178.288 176.600 0.107 0.000 0.973 1458 E CA 0.674 57.123 56.400 0.081 0.000 0.829 1458 E CB -0.056 29.651 29.700 0.011 0.000 0.781 1458 E HN 0.736 nan 8.360 nan 0.000 0.466 1459 N N -0.459 118.302 118.700 0.100 0.000 2.309 1459 N HA -0.100 4.640 4.740 -0.000 0.000 0.182 1459 N C 0.309 175.905 175.510 0.143 0.000 1.018 1459 N CA 0.214 53.319 53.050 0.091 0.000 0.876 1459 N CB 0.086 38.618 38.487 0.075 0.000 0.972 1459 N HN 0.144 nan 8.380 nan 0.000 0.434 1463 A N 0.505 123.230 122.820 -0.158 0.000 1.898 1463 A HA 0.017 4.337 4.320 -0.000 0.000 0.216 1463 A C 1.887 179.284 177.584 -0.313 0.000 1.181 1463 A CA 1.920 53.876 52.037 -0.136 0.000 0.620 1463 A CB -0.381 18.554 19.000 -0.108 0.000 0.819 1463 A HN 0.312 nan 8.150 nan 0.000 0.442 1464 R N 0.236 120.400 120.500 -0.561 0.000 2.280 1464 R HA 0.064 4.404 4.340 -0.000 0.000 0.207 1464 R C 1.513 177.157 176.300 -1.094 0.000 1.043 1464 R CA 1.075 56.531 56.100 -1.073 0.000 1.006 1464 R CB -0.300 29.620 30.300 -0.633 0.000 0.885 1464 R HN 0.721 nan 8.270 nan 0.000 0.467 1465 E N -0.818 119.017 120.200 -0.607 0.000 2.385 1465 E HA 0.102 4.452 4.350 -0.000 0.000 0.194 1465 E C 1.478 177.857 176.600 -0.368 0.000 1.013 1465 E CA 0.545 56.706 56.400 -0.397 0.000 0.866 1465 E CB 0.268 29.845 29.700 -0.206 0.000 0.832 1465 E HN 0.312 nan 8.360 nan 0.000 0.500 1466 A N 1.531 124.105 122.820 -0.411 0.000 1.835 1466 A HA -0.105 4.215 4.320 -0.000 0.000 0.213 1466 A C 1.760 179.245 177.584 -0.165 0.000 1.210 1466 A CA 0.757 52.669 52.037 -0.208 0.000 0.605 1466 A CB -0.849 18.100 19.000 -0.085 0.000 0.860 1466 A HN 0.378 nan 8.150 nan 0.000 0.447 1467 F N -0.681 119.241 119.950 -0.046 0.000 2.788 1467 F HA 0.452 4.979 4.527 -0.000 0.000 0.300 1467 F C 0.310 176.094 175.800 -0.026 0.000 1.229 1467 F CA -0.577 57.403 58.000 -0.034 0.000 1.446 1467 F CB -0.805 38.175 39.000 -0.034 0.000 1.118 1467 F HN 0.156 nan 8.300 nan 0.000 0.579 1489 D N 1.011 121.498 120.400 0.145 0.000 2.289 1489 D HA -0.051 4.589 4.640 -0.000 0.000 0.207 1489 D C 1.520 177.932 176.300 0.187 0.000 0.966 1489 D CA 0.021 54.098 54.000 0.128 0.000 0.868 1489 D CB -0.150 40.708 40.800 0.095 0.000 0.943 1489 D HN 0.148 nan 8.370 nan 0.000 0.514 1490 F N 2.798 122.785 119.950 0.062 0.000 2.063 1490 F HA -0.287 4.240 4.527 -0.000 0.000 0.298 1490 F C 1.956 177.824 175.800 0.114 0.000 1.109 1490 F CA 1.858 59.915 58.000 0.095 0.000 1.212 1490 F CB -0.165 38.880 39.000 0.075 0.000 0.973 1490 F HN -0.182 nan 8.300 nan 0.000 0.480 1491 D N 0.374 120.966 120.400 0.321 0.000 2.156 1491 D HA -0.250 4.390 4.640 -0.000 0.000 0.190 1491 D C 2.149 178.507 176.300 0.097 0.000 0.998 1491 D CA 2.096 56.215 54.000 0.197 0.000 0.842 1491 D CB -0.219 40.681 40.800 0.166 0.000 0.974 1491 D HN 0.341 nan 8.370 nan 0.000 0.447 1492 K N 0.108 120.558 120.400 0.083 0.000 2.152 1492 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 1492 K C 1.904 178.521 176.600 0.029 0.000 1.048 1492 K CA 1.060 57.376 56.287 0.049 0.000 0.933 1492 K CB -0.056 32.471 32.500 0.045 0.000 0.721 1492 K HN 0.089 nan 8.250 nan 0.000 0.447 1493 A N 0.615 123.459 122.820 0.038 0.000 2.238 1493 A HA 0.034 4.354 4.320 -0.000 0.000 0.208 1493 A C 1.679 179.271 177.584 0.013 0.000 1.177 1493 A CA 0.478 52.538 52.037 0.038 0.000 0.804 1493 A CB -0.066 18.995 19.000 0.101 0.000 0.823 1493 A HN 0.071 nan 8.150 nan 0.000 0.482 1494 I N -0.434 120.130 120.570 -0.009 0.000 2.927 1494 I HA -0.032 4.138 4.170 -0.000 0.000 0.268 1494 I C 1.620 177.753 176.117 0.027 0.000 1.153 1494 I CA 0.904 62.215 61.300 0.018 0.000 1.459 1494 I CB -1.448 36.542 38.000 -0.017 0.000 1.149 1494 I HN 0.337 nan 8.210 nan 0.000 0.443 1495 N N 0.372 119.081 118.700 0.015 0.000 2.244 1495 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 1495 N C 1.986 177.462 175.510 -0.058 0.000 1.016 1495 N CA 0.724 53.776 53.050 0.003 0.000 0.866 1495 N CB 0.192 38.686 38.487 0.012 0.000 0.980 1495 N HN 0.018 nan 8.380 nan 0.000 0.430 1496 V N 0.768 120.632 119.914 -0.084 0.000 2.270 1496 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 1496 V C 2.284 178.224 176.094 -0.257 0.000 1.043 1496 V CA 1.635 63.852 62.300 -0.137 0.000 1.014 1496 V CB -0.359 31.397 31.823 -0.112 0.000 0.645 1496 V HN 0.284 nan 8.190 nan 0.000 0.447 1497 Q N -0.048 119.524 119.800 -0.380 0.000 2.291 1497 Q HA -0.201 4.139 4.340 -0.000 0.000 0.205 1497 Q C 1.908 177.505 176.000 -0.672 0.000 0.970 1497 Q CA 1.828 57.213 55.803 -0.695 0.000 0.876 1497 Q CB -0.219 27.799 28.738 -1.200 0.000 0.935 1497 Q HN 0.717 nan 8.270 nan 0.000 0.455 1498 E N 0.085 120.058 120.200 -0.378 0.000 2.216 1498 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 1498 E C 1.642 178.094 176.600 -0.247 0.000 0.988 1498 E CA 1.137 57.366 56.400 -0.286 0.000 0.834 1498 E CB -0.119 29.595 29.700 0.023 0.000 0.772 1498 E HN 0.563 nan 8.360 nan 0.000 0.479 1499 E N 0.823 120.899 120.200 -0.206 0.000 2.107 1499 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 1499 E C 1.639 178.125 176.600 -0.190 0.000 0.982 1499 E CA 0.946 57.252 56.400 -0.156 0.000 0.809 1499 E CB -0.094 29.533 29.700 -0.122 0.000 0.756 1499 E HN 0.161 nan 8.360 nan 0.000 0.459 1500 K N 0.317 120.557 120.400 -0.266 0.000 2.057 1500 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 1500 K C 2.199 178.635 176.600 -0.272 0.000 1.050 1500 K CA 1.058 57.189 56.287 -0.260 0.000 0.935 1500 K CB -0.001 32.306 32.500 -0.320 0.000 0.715 1500 K HN 0.237 nan 8.250 nan 0.000 0.439 1501 I N 1.017 121.342 120.570 -0.408 0.000 2.756 1501 I HA -0.150 4.020 4.170 -0.000 0.000 0.262 1501 I C 2.198 178.178 176.117 -0.228 0.000 1.225 1501 I CA 0.838 61.890 61.300 -0.414 0.000 1.472 1501 I CB -0.975 36.550 38.000 -0.793 0.000 1.094 1501 I HN 0.076 nan 8.210 nan 0.000 0.454 1502 A N 0.632 123.346 122.820 -0.176 0.000 1.984 1502 A HA 0.199 4.519 4.320 -0.000 0.000 0.214 1502 A C 2.541 180.101 177.584 -0.040 0.000 1.173 1502 A CA 1.091 53.077 52.037 -0.084 0.000 0.673 1502 A CB -0.311 18.647 19.000 -0.069 0.000 0.830 1502 A HN 0.341 nan 8.150 nan 0.000 0.453 1503 A N -0.212 122.576 122.820 -0.053 0.000 1.897 1503 A HA 0.053 4.373 4.320 -0.000 0.000 0.215 1503 A C 2.004 179.636 177.584 0.079 0.000 1.181 1503 A CA 1.499 53.531 52.037 -0.009 0.000 0.620 1503 A CB -0.572 18.397 19.000 -0.051 0.000 0.821 1503 A HN 0.740 nan 8.150 nan 0.000 0.443 1504 L N -0.392 120.861 121.223 0.050 0.000 2.353 1504 L HA -0.122 4.218 4.340 -0.000 0.000 0.220 1504 L C 2.128 179.106 176.870 0.179 0.000 1.133 1504 L CA 2.227 57.150 54.840 0.140 0.000 0.798 1504 L CB -0.445 41.609 42.059 -0.008 0.000 0.922 1504 L HN 0.574 nan 8.230 nan 0.000 0.445 1505 Q N -1.325 118.528 119.800 0.088 0.000 2.259 1505 Q HA 0.030 4.370 4.340 -0.000 0.000 0.201 1505 Q C 2.080 178.119 176.000 0.065 0.000 0.938 1505 Q CA 0.846 56.691 55.803 0.071 0.000 0.872 1505 Q CB 0.105 28.860 28.738 0.028 0.000 0.971 1505 Q HN 0.617 nan 8.270 nan 0.000 0.494 1506 A N 0.351 123.216 122.820 0.076 0.000 1.968 1506 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 1506 A C 1.698 179.360 177.584 0.130 0.000 1.169 1506 A CA 0.680 52.760 52.037 0.071 0.000 0.638 1506 A CB -0.630 18.402 19.000 0.054 0.000 0.812 1506 A HN 0.526 nan 8.150 nan 0.000 0.446 1507 F N 1.278 121.221 119.950 -0.012 0.000 2.186 1507 F HA 0.028 4.554 4.527 -0.000 0.000 0.299 1507 F C 2.358 178.100 175.800 -0.097 0.000 1.090 1507 F CA 0.689 58.677 58.000 -0.021 0.000 1.307 1507 F CB -0.723 38.302 39.000 0.041 0.000 1.019 1507 F HN 0.235 nan 8.300 nan 0.000 0.489 1508 A N -0.297 122.415 122.820 -0.181 0.000 1.968 1508 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 1508 A C 1.900 179.270 177.584 -0.356 0.000 1.169 1508 A CA 1.623 53.340 52.037 -0.532 0.000 0.638 1508 A CB -0.738 18.083 19.000 -0.298 0.000 0.812 1508 A HN 0.381 nan 8.150 nan 0.000 0.446 1509 D N -0.915 119.391 120.400 -0.156 0.000 2.277 1509 D HA -0.104 4.536 4.640 -0.000 0.000 0.208 1509 D C 1.969 178.213 176.300 -0.092 0.000 0.962 1509 D CA 0.839 54.774 54.000 -0.108 0.000 0.865 1509 D CB -0.136 40.637 40.800 -0.045 0.000 0.939 1509 D HN 0.662 nan 8.370 nan 0.000 0.510 1510 Q N 0.620 120.377 119.800 -0.070 0.000 2.083 1510 Q HA -0.069 4.271 4.340 -0.000 0.000 0.198 1510 Q C 2.284 178.239 176.000 -0.074 0.000 0.969 1510 Q CA 0.606 56.395 55.803 -0.022 0.000 0.838 1510 Q CB 0.067 28.855 28.738 0.083 0.000 0.900 1510 Q HN 0.280 nan 8.270 nan 0.000 0.436 1511 L N 0.333 121.437 121.223 -0.199 0.000 2.093 1511 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 1511 L C 2.465 179.226 176.870 -0.180 0.000 1.085 1511 L CA 0.740 55.434 54.840 -0.243 0.000 0.755 1511 L CB -0.393 41.309 42.059 -0.596 0.000 0.904 1511 L HN 0.214 nan 8.230 nan 0.000 0.435 1512 I N 0.275 120.714 120.570 -0.218 0.000 2.394 1512 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 1512 I C 2.637 178.706 176.117 -0.080 0.000 1.136 1512 I CA 1.103 62.314 61.300 -0.148 0.000 1.425 1512 I CB -0.366 37.540 38.000 -0.157 0.000 1.079 1512 I HN 0.179 nan 8.210 nan 0.000 0.425 1513 A N 0.340 123.119 122.820 -0.069 0.000 2.123 1513 A HA 0.241 4.561 4.320 -0.000 0.000 0.214 1513 A C 2.242 179.812 177.584 -0.024 0.000 1.152 1513 A CA 1.062 53.076 52.037 -0.038 0.000 0.728 1513 A CB -0.360 18.622 19.000 -0.029 0.000 0.814 1513 A HN 0.374 nan 8.150 nan 0.000 0.464 1514 A N -1.260 121.546 122.820 -0.023 0.000 2.275 1514 A HA 0.450 4.770 4.320 -0.000 0.000 0.212 1514 A C 1.455 179.036 177.584 -0.005 0.000 1.201 1514 A CA 0.823 52.857 52.037 -0.005 0.000 0.843 1514 A CB -0.830 18.175 19.000 0.009 0.000 0.873 1514 A HN 1.778 nan 8.150 nan 0.000 0.492 1515 G N -0.180 108.613 108.800 -0.011 0.000 2.326 1515 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.286 1515 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.286 1515 G C -0.095 174.798 174.900 -0.011 0.000 1.096 1515 G CA 0.368 45.462 45.100 -0.010 0.000 1.003 1515 G HN 0.933 nan 8.290 nan 0.000 0.503 1516 H N -0.646 118.350 119.070 -0.123 0.000 2.771 1516 H HA 0.345 4.901 4.556 -0.000 0.000 0.364 1516 H C 1.737 176.983 175.328 -0.137 0.000 1.133 1516 H CA 0.794 56.730 56.048 -0.187 0.000 1.423 1516 H CB 0.334 29.898 29.762 -0.329 0.000 1.425 1516 H HN 0.546 nan 8.280 nan 0.000 0.606 1517 Y N 1.442 121.503 120.300 -0.398 0.000 2.571 1517 Y HA 0.191 4.741 4.550 -0.000 0.000 0.294 1517 Y C 1.138 177.034 175.900 -0.007 0.000 1.141 1517 Y CA 0.416 58.405 58.100 -0.184 0.000 1.308 1517 Y CB -0.262 38.052 38.460 -0.243 0.000 1.002 1517 Y HN 0.436 nan 8.280 nan 0.000 0.551 1518 A N 0.420 123.204 122.820 -0.059 0.000 2.637 1518 A HA 0.291 4.611 4.320 -0.000 0.000 0.293 1518 A C 1.616 179.176 177.584 -0.040 0.000 1.216 1518 A CA -0.541 51.504 52.037 0.014 0.000 0.956 1518 A CB -0.272 18.660 19.000 -0.114 0.000 1.174 1518 A HN 0.317 nan 8.150 nan 0.000 0.525 1519 K N 0.003 120.387 120.400 -0.026 0.000 2.077 1519 K HA -0.230 4.090 4.320 -0.000 0.000 0.213 1519 K C 2.081 178.639 176.600 -0.071 0.000 1.051 1519 K CA 1.865 58.106 56.287 -0.076 0.000 0.929 1519 K CB -0.244 32.233 32.500 -0.040 0.000 0.715 1519 K HN 0.542 nan 8.250 nan 0.000 0.451 1520 G N 1.035 109.821 108.800 -0.023 0.000 2.442 1520 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 1520 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 1520 G C 0.919 175.817 174.900 -0.002 0.000 1.141 1520 G CA 1.246 46.341 45.100 -0.008 0.000 0.763 1520 G HN 0.249 nan 8.290 nan 0.000 0.554 1521 D N -0.482 119.923 120.400 0.008 0.000 2.346 1521 D HA 0.158 4.798 4.640 -0.000 0.000 0.206 1521 D C 2.397 178.727 176.300 0.049 0.000 1.001 1521 D CA -0.096 53.932 54.000 0.046 0.000 0.871 1521 D CB 0.221 41.079 40.800 0.096 0.000 0.943 1521 D HN 0.329 nan 8.370 nan 0.000 0.518 1522 I N -0.341 120.172 120.570 -0.094 0.000 2.333 1522 I HA -0.161 4.009 4.170 -0.000 0.000 0.246 1522 I C 2.190 178.191 176.117 -0.192 0.000 1.106 1522 I CA 0.658 61.779 61.300 -0.298 0.000 1.411 1522 I CB 0.046 37.622 38.000 -0.707 0.000 1.082 1522 I HN -0.064 nan 8.210 nan 0.000 0.420 1523 S N -0.442 115.175 115.700 -0.138 0.000 2.428 1523 S HA -0.133 4.337 4.470 -0.000 0.000 0.230 1523 S C 2.191 176.792 174.600 0.002 0.000 1.014 1523 S CA 1.566 59.721 58.200 -0.074 0.000 0.957 1523 S CB -0.064 63.094 63.200 -0.069 0.000 0.784 1523 S HN 0.326 nan 8.310 nan 0.000 0.499 1524 S N 0.815 116.527 115.700 0.020 0.000 2.357 1524 S HA 0.073 4.543 4.470 -0.000 0.000 0.221 1524 S C 2.123 176.764 174.600 0.068 0.000 1.031 1524 S CA 0.577 58.800 58.200 0.039 0.000 0.982 1524 S CB -0.234 62.987 63.200 0.034 0.000 0.853 1524 S HN 0.390 nan 8.310 nan 0.000 0.458 1525 R N 1.051 121.623 120.500 0.119 0.000 2.120 1525 R HA 0.027 4.367 4.340 -0.000 0.000 0.234 1525 R C 2.433 178.816 176.300 0.139 0.000 1.123 1525 R CA 0.961 57.137 56.100 0.127 0.000 0.975 1525 R CB -0.597 29.823 30.300 0.198 0.000 0.866 1525 R HN 0.416 nan 8.270 nan 0.000 0.446 1526 R N 0.520 121.153 120.500 0.223 0.000 2.062 1526 R HA -0.050 4.290 4.340 -0.000 0.000 0.229 1526 R C 1.534 177.890 176.300 0.093 0.000 1.128 1526 R CA 1.302 57.513 56.100 0.185 0.000 0.960 1526 R CB -0.083 30.328 30.300 0.186 0.000 0.855 1526 R HN 0.077 nan 8.270 nan 0.000 0.432 1527 N N 0.895 119.637 118.700 0.070 0.000 2.289 1527 N HA -0.174 4.566 4.740 -0.000 0.000 0.184 1527 N C 1.363 176.906 175.510 0.055 0.000 1.016 1527 N CA 1.112 54.194 53.050 0.053 0.000 0.872 1527 N CB -0.027 38.481 38.487 0.036 0.000 0.973 1527 N HN 0.412 nan 8.380 nan 0.000 0.433 1528 E N -0.217 120.015 120.200 0.054 0.000 2.112 1528 E HA -0.034 4.316 4.350 -0.000 0.000 0.190 1528 E C 1.564 178.199 176.600 0.058 0.000 0.979 1528 E CA 0.487 56.915 56.400 0.046 0.000 0.814 1528 E CB 0.224 29.943 29.700 0.032 0.000 0.762 1528 E HN 0.030 nan 8.360 nan 0.000 0.460 1529 V N 1.225 121.173 119.914 0.057 0.000 2.407 1529 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 1529 V C 2.296 178.467 176.094 0.128 0.000 1.041 1529 V CA 1.079 63.419 62.300 0.068 0.000 1.040 1529 V CB -0.222 31.605 31.823 0.006 0.000 0.671 1529 V HN 0.346 nan 8.190 nan 0.000 0.455 1530 L N -0.210 121.081 121.223 0.112 0.000 2.265 1530 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 1530 L C 1.997 178.975 176.870 0.181 0.000 1.117 1530 L CA 1.284 56.218 54.840 0.157 0.000 0.782 1530 L CB -0.496 41.627 42.059 0.107 0.000 0.914 1530 L HN 0.386 nan 8.230 nan 0.000 0.441 1531 D N -0.779 119.697 120.400 0.127 0.000 2.262 1531 D HA -0.075 4.565 4.640 -0.000 0.000 0.212 1531 D C 2.175 178.533 176.300 0.097 0.000 0.964 1531 D CA 0.556 54.613 54.000 0.094 0.000 0.875 1531 D CB 0.030 40.866 40.800 0.060 0.000 0.996 1531 D HN 0.087 nan 8.370 nan 0.000 0.497 1532 R N -0.197 120.375 120.500 0.120 0.000 2.235 1532 R HA -0.069 4.271 4.340 -0.000 0.000 0.213 1532 R C 1.920 178.332 176.300 0.187 0.000 1.059 1532 R CA 0.587 56.757 56.100 0.116 0.000 0.997 1532 R CB -0.078 30.287 30.300 0.107 0.000 0.884 1532 R HN 0.329 nan 8.270 nan 0.000 0.462 1533 W N 0.866 122.187 121.300 0.033 0.000 2.481 1533 W HA -0.051 4.609 4.660 -0.000 0.000 0.293 1533 W C 1.003 177.549 176.519 0.044 0.000 1.201 1533 W CA 0.445 57.819 57.345 0.048 0.000 1.328 1533 W CB 0.004 29.483 29.460 0.031 0.000 1.112 1533 W HN -0.015 nan 8.180 nan 0.000 0.546 1534 R N 0.341 120.802 120.500 -0.066 0.000 2.316 1534 R HA -0.028 4.312 4.340 -0.000 0.000 0.202 1534 R C 2.259 178.460 176.300 -0.166 0.000 1.029 1534 R CA 0.701 56.688 56.100 -0.189 0.000 1.018 1534 R CB -0.102 30.185 30.300 -0.022 0.000 0.888 1534 R HN 0.131 nan 8.270 nan 0.000 0.471 1535 R N -0.333 120.102 120.500 -0.109 0.000 2.112 1535 R HA 0.024 4.364 4.340 -0.000 0.000 0.216 1535 R C 1.840 178.068 176.300 -0.120 0.000 1.080 1535 R CA 0.509 56.559 56.100 -0.082 0.000 0.996 1535 R CB 0.027 30.308 30.300 -0.032 0.000 0.902 1535 R HN 0.075 nan 8.270 nan 0.000 0.449 1536 L N 1.134 122.264 121.223 -0.156 0.000 2.341 1536 L HA 0.009 4.349 4.340 -0.000 0.000 0.214 1536 L C 1.883 178.585 176.870 -0.281 0.000 1.115 1536 L CA 1.595 56.337 54.840 -0.164 0.000 0.820 1536 L CB -0.063 41.949 42.059 -0.079 0.000 0.944 1536 L HN -0.083 nan 8.230 nan 0.000 0.452 1537 K N -0.759 119.352 120.400 -0.483 0.000 2.155 1537 K HA -0.023 4.297 4.320 -0.000 0.000 0.203 1537 K C 1.919 178.380 176.600 -0.232 0.000 1.052 1537 K CA 0.963 56.938 56.287 -0.520 0.000 0.948 1537 K CB 0.016 32.079 32.500 -0.728 0.000 0.728 1537 K HN 0.454 nan 8.250 nan 0.000 0.448 1538 A N 0.787 123.502 122.820 -0.176 0.000 1.930 1538 A HA -0.049 4.271 4.320 -0.000 0.000 0.215 1538 A C 1.074 178.622 177.584 -0.061 0.000 1.176 1538 A CA 0.612 52.592 52.037 -0.095 0.000 0.632 1538 A CB -0.080 18.873 19.000 -0.078 0.000 0.819 1538 A HN 0.314 nan 8.150 nan 0.000 0.445 1539 Q N 0.000 119.761 119.800 -0.064 0.000 2.315 1539 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1539 Q CA 0.000 55.782 55.803 -0.036 0.000 1.022 1539 Q CB 0.000 28.710 28.738 -0.046 0.000 1.108 1539 Q HN 0.000 nan 8.270 nan 0.000 0.481