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 2oo4_1_B DATA FIRST_RESID 1425 DATA SEQUENCE CLSQYcADKA RDGVcDEAcN SHACQWDGGD cSLTMENPWA NcSSPLPcWD DATA SEQUENCE YINNQcDELc NTVEcLFDNF EcQGNSKTcK YDKYcADHFK DNHcNQGcNS DATA SEQUENCE EEcGWDGLDc AADQPENLAE GTLVIVVLMP PEQLLQDARS FLRALGTLLH DATA SEQUENCE TNLRIKRDSQ GELMVYPYYG XXXXXXXXXX XXXXXXXXXX XXEVAGSKVF DATA SEQUENCE LEIDNRQcVQ DSDHcFKNTD AAAALLASHA IQGTLSYPLV SVVSESLT 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 1425 C HA 0.000 nan 4.460 nan 0.000 0.325 1425 C C 0.000 174.965 174.990 -0.041 0.000 1.270 1425 C CA 0.000 58.993 59.018 -0.041 0.000 1.963 1425 C CB 0.000 27.705 27.740 -0.058 0.000 2.134 1426 L N 5.182 126.383 121.223 -0.037 0.000 2.691 1426 L HA 0.788 5.128 4.340 -0.000 0.000 0.185 1426 L C 1.241 178.098 176.870 -0.021 0.000 1.081 1426 L CA 1.729 56.550 54.840 -0.032 0.000 0.865 1426 L CB -0.029 42.006 42.059 -0.039 0.000 1.370 1426 L HN 0.973 nan 8.230 nan 0.000 0.488 1427 S N -1.418 114.271 115.700 -0.018 0.000 2.759 1427 S HA 0.563 5.033 4.470 -0.000 0.000 0.310 1427 S C 0.740 175.334 174.600 -0.010 0.000 1.123 1427 S CA 0.190 58.383 58.200 -0.012 0.000 0.959 1427 S CB 0.513 63.708 63.200 -0.008 0.000 1.172 1427 S HN 0.218 nan 8.310 nan 0.000 0.539 1428 Q N -1.057 118.739 119.800 -0.007 0.000 2.224 1428 Q HA 0.031 4.371 4.340 -0.000 0.000 0.203 1428 Q C 2.205 178.203 176.000 -0.004 0.000 0.970 1428 Q CA 2.576 58.376 55.803 -0.005 0.000 0.865 1428 Q CB -2.010 26.726 28.738 -0.003 0.000 0.922 1428 Q HN 1.645 nan 8.270 nan 0.000 0.445 1429 Y N -1.557 118.742 120.300 -0.003 0.000 2.286 1429 Y HA 0.037 4.586 4.550 -0.000 0.000 0.293 1429 Y C 2.811 178.711 175.900 -0.001 0.000 1.124 1429 Y CA 1.124 59.224 58.100 0.000 0.000 1.178 1429 Y CB -0.750 37.711 38.460 0.003 0.000 1.010 1429 Y HN 0.600 nan 8.280 nan 0.000 0.536 1430 c N -0.175 118.421 118.600 -0.006 0.000 2.514 1430 c HA 0.336 4.906 4.570 -0.000 0.000 0.271 1430 c C 3.198 177.280 174.090 -0.014 0.000 1.399 1430 c CA 0.607 56.930 56.329 -0.010 0.000 1.765 1430 c CB -1.082 41.417 42.510 -0.018 0.000 1.893 1430 c HN 0.789 nan 8.230 nan 0.000 0.531 1431 A N 0.561 123.373 122.820 -0.013 0.000 1.898 1431 A HA -0.168 4.151 4.320 -0.000 0.000 0.214 1431 A C 1.819 179.399 177.584 -0.008 0.000 1.183 1431 A CA 1.986 54.015 52.037 -0.014 0.000 0.622 1431 A CB -0.558 18.434 19.000 -0.013 0.000 0.824 1431 A HN 0.520 nan 8.150 nan 0.000 0.444 1432 D N -0.552 119.846 120.400 -0.004 0.000 2.224 1432 D HA 0.087 4.727 4.640 -0.000 0.000 0.205 1432 D C 1.025 177.327 176.300 0.003 0.000 0.965 1432 D CA 1.464 55.464 54.000 0.000 0.000 0.852 1432 D CB -0.113 40.688 40.800 0.002 0.000 0.947 1432 D HN 0.362 nan 8.370 nan 0.000 0.494 1433 K N -0.473 119.929 120.400 0.004 0.000 2.268 1433 K HA 0.762 5.081 4.320 -0.000 0.000 0.276 1433 K C 0.148 176.752 176.600 0.008 0.000 1.080 1433 K CA -0.002 56.291 56.287 0.009 0.000 0.910 1433 K CB 0.956 33.464 32.500 0.012 0.000 1.163 1433 K HN 0.191 nan 8.250 nan 0.000 0.465 1434 A N 1.578 124.404 122.820 0.011 0.000 1.784 1434 A HA 0.145 4.465 4.320 -0.000 0.000 0.185 1434 A C 1.711 179.305 177.584 0.016 0.000 1.964 1434 A CA 0.678 52.721 52.037 0.010 0.000 1.540 1434 A CB 0.062 19.062 19.000 -0.001 0.000 1.588 1434 A HN 0.556 nan 8.150 nan 0.000 0.320 1435 R N 1.056 121.566 120.500 0.016 0.000 2.146 1435 R HA 0.025 4.365 4.340 -0.000 0.000 0.206 1435 R C -0.339 175.976 176.300 0.025 0.000 1.049 1435 R CA 0.786 56.898 56.100 0.019 0.000 1.029 1435 R CB -0.145 30.165 30.300 0.016 0.000 0.949 1435 R HN 0.568 nan 8.270 nan 0.000 0.471 1436 D N 0.287 120.701 120.400 0.023 0.000 2.506 1436 D HA -0.058 4.582 4.640 -0.000 0.000 0.234 1436 D C 0.364 176.683 176.300 0.032 0.000 1.143 1436 D CA 0.386 54.402 54.000 0.026 0.000 0.871 1436 D CB 0.553 41.367 40.800 0.023 0.000 1.190 1436 D HN 0.250 nan 8.370 nan 0.000 0.459 1437 G N 0.866 109.687 108.800 0.035 0.000 3.325 1437 G HA2 0.360 4.320 3.960 -0.000 0.000 0.242 1437 G HA3 0.360 4.320 3.960 -0.000 0.000 0.242 1437 G C -0.320 174.603 174.900 0.037 0.000 1.120 1437 G CA -0.412 44.712 45.100 0.040 0.000 1.778 1437 G HN 0.365 nan 8.290 nan 0.000 0.610 1438 V N -0.232 119.703 119.914 0.035 0.000 2.686 1438 V HA 0.218 4.338 4.120 -0.000 0.000 0.306 1438 V C -0.159 175.958 176.094 0.038 0.000 1.065 1438 V CA -1.345 60.976 62.300 0.034 0.000 0.894 1438 V CB 1.872 33.713 31.823 0.030 0.000 1.004 1438 V HN 0.224 nan 8.190 nan 0.000 0.424 1439 c N 4.339 122.964 118.600 0.042 0.000 2.345 1439 c HA 0.406 4.976 4.570 -0.000 0.000 0.349 1439 c C 0.279 174.398 174.090 0.049 0.000 1.130 1439 c CA -0.683 55.677 56.329 0.051 0.000 1.574 1439 c CB -1.645 40.898 42.510 0.055 0.000 2.108 1439 c HN 0.912 nan 8.230 nan 0.000 0.516 1440 D N 3.957 124.385 120.400 0.047 0.000 2.352 1440 D HA 0.142 4.782 4.640 -0.000 0.000 0.245 1440 D C 0.895 177.225 176.300 0.050 0.000 1.224 1440 D CA 0.196 54.220 54.000 0.041 0.000 0.879 1440 D CB 0.931 41.750 40.800 0.032 0.000 1.057 1440 D HN 0.683 nan 8.370 nan 0.000 0.491 1441 E N 2.414 122.644 120.200 0.051 0.000 2.338 1441 E HA -0.106 4.244 4.350 -0.000 0.000 0.197 1441 E C 1.752 178.386 176.600 0.057 0.000 1.007 1441 E CA 0.585 57.022 56.400 0.062 0.000 0.849 1441 E CB -0.037 29.696 29.700 0.056 0.000 0.774 1441 E HN 0.526 nan 8.360 nan 0.000 0.506 1442 A N -0.769 122.076 122.820 0.041 0.000 2.172 1442 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 1442 A C 1.827 179.427 177.584 0.026 0.000 1.154 1442 A CA 1.188 53.243 52.037 0.031 0.000 0.701 1442 A CB -0.335 18.678 19.000 0.022 0.000 0.789 1442 A HN 0.443 nan 8.150 nan 0.000 0.465 1443 c N -0.745 117.875 118.600 0.033 0.000 3.336 1443 c HA 0.244 4.814 4.570 -0.000 0.000 0.291 1443 c C 0.945 175.057 174.090 0.037 0.000 1.363 1443 c CA -0.663 55.676 56.329 0.018 0.000 1.737 1443 c CB -1.461 41.056 42.510 0.012 0.000 2.274 1443 c HN 0.582 nan 8.230 nan 0.000 0.663 1444 N N 3.048 121.803 118.700 0.093 0.000 2.971 1444 N HA 0.117 4.857 4.740 -0.000 0.000 0.294 1444 N C -0.074 175.568 175.510 0.221 0.000 1.210 1444 N CA 0.352 53.525 53.050 0.205 0.000 1.157 1444 N CB -0.051 38.566 38.487 0.216 0.000 1.450 1444 N HN 0.681 nan 8.380 nan 0.000 0.527 1445 S N 0.031 115.708 115.700 -0.040 0.000 2.588 1445 S HA 0.207 4.677 4.470 -0.000 0.000 0.275 1445 S C 0.893 174.901 174.600 -0.988 0.000 1.130 1445 S CA -0.822 57.224 58.200 -0.256 0.000 0.855 1445 S CB 1.300 64.435 63.200 -0.108 0.000 1.116 1445 S HN 0.430 nan 8.310 nan 0.000 0.472 1446 H N 1.458 119.832 119.070 -1.161 0.000 2.352 1446 H HA -0.127 4.429 4.556 -0.000 0.000 0.299 1446 H C 2.019 176.767 175.328 -0.967 0.000 1.097 1446 H CA 2.336 57.404 56.048 -1.634 0.000 1.311 1446 H CB -0.472 28.458 29.762 -1.386 0.000 1.377 1446 H HN 0.818 nan 8.280 nan 0.000 0.504 1447 A N 0.161 122.696 122.820 -0.476 0.000 1.972 1447 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 1447 A C 2.422 179.797 177.584 -0.349 0.000 1.169 1447 A CA 1.345 53.193 52.037 -0.314 0.000 0.635 1447 A CB -0.782 18.142 19.000 -0.128 0.000 0.810 1447 A HN 0.573 nan 8.150 nan 0.000 0.446 1448 C N -0.895 118.182 119.300 -0.371 0.000 2.525 1448 C HA 0.513 4.973 4.460 -0.000 0.000 0.313 1448 C C 1.664 176.465 174.990 -0.316 0.000 1.311 1448 C CA 0.426 59.281 59.018 -0.270 0.000 1.725 1448 C CB -1.405 26.236 27.740 -0.165 0.000 1.926 1448 C HN 0.952 nan 8.230 nan 0.000 0.595 1449 Q N -0.778 118.702 119.800 -0.533 0.000 2.437 1449 Q HA -0.269 4.070 4.340 -0.000 0.000 0.274 1449 Q C 0.408 176.346 176.000 -0.104 0.000 1.165 1449 Q CA 1.450 56.981 55.803 -0.452 0.000 0.925 1449 Q CB -2.781 25.831 28.738 -0.210 0.000 1.327 1449 Q HN 0.938 nan 8.270 nan 0.000 0.505 1450 W N -1.385 119.863 121.300 -0.086 0.000 6.190 1450 W HA -0.094 4.566 4.660 -0.000 0.000 0.423 1450 W C 0.579 177.084 176.519 -0.023 0.000 1.680 1450 W CA 1.509 58.835 57.345 -0.031 0.000 1.036 1450 W CB -2.119 27.340 29.460 -0.002 0.000 2.908 1450 W HN 1.295 nan 8.180 nan 0.000 1.429 1451 D N -0.382 120.068 120.400 0.083 0.000 2.870 1451 D HA -0.152 4.488 4.640 -0.000 0.000 0.228 1451 D C 1.202 177.530 176.300 0.046 0.000 1.147 1451 D CA 3.051 57.084 54.000 0.055 0.000 0.757 1451 D CB -1.141 39.704 40.800 0.076 0.000 1.091 1451 D HN 1.239 nan 8.370 nan 0.000 0.429 1452 G N -1.358 107.459 108.800 0.028 0.000 2.273 1452 G HA2 0.099 4.059 3.960 -0.000 0.000 0.280 1452 G HA3 0.099 4.059 3.960 -0.000 0.000 0.280 1452 G C 1.466 176.396 174.900 0.051 0.000 1.047 1452 G CA 0.893 46.006 45.100 0.022 0.000 0.869 1452 G HN 1.693 nan 8.290 nan 0.000 0.502 1453 G N -1.120 107.739 108.800 0.099 0.000 2.234 1453 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.235 1453 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.235 1453 G C 0.933 175.876 174.900 0.071 0.000 0.997 1453 G CA 0.852 46.007 45.100 0.091 0.000 0.623 1453 G HN 0.648 nan 8.290 nan 0.000 0.514 1454 D N 0.055 120.497 120.400 0.071 0.000 2.182 1454 D HA -0.035 4.605 4.640 -0.000 0.000 0.201 1454 D C 2.117 178.453 176.300 0.059 0.000 0.986 1454 D CA 1.577 55.610 54.000 0.056 0.000 0.847 1454 D CB -0.331 40.500 40.800 0.053 0.000 0.942 1454 D HN 0.541 nan 8.370 nan 0.000 0.467 1455 c N 0.175 118.829 118.600 0.090 0.000 2.906 1455 c HA 0.173 4.743 4.570 -0.000 0.000 0.274 1455 c C 1.661 175.766 174.090 0.026 0.000 1.257 1455 c CA -0.025 56.352 56.329 0.080 0.000 1.695 1455 c CB -0.619 41.973 42.510 0.137 0.000 1.958 1455 c HN 0.263 nan 8.230 nan 0.000 0.619 1456 S N -0.185 115.525 115.700 0.016 0.000 2.711 1456 S HA 0.399 4.869 4.470 -0.000 0.000 0.247 1456 S C 0.425 174.987 174.600 -0.063 0.000 1.079 1456 S CA -0.219 57.934 58.200 -0.079 0.000 1.050 1456 S CB -0.745 62.377 63.200 -0.130 0.000 0.885 1456 S HN 0.468 nan 8.310 nan 0.000 0.498 1457 L N 0.707 121.910 121.223 -0.033 0.000 3.717 1457 L HA -0.270 4.070 4.340 -0.000 0.000 0.414 1457 L C 0.812 177.656 176.870 -0.043 0.000 1.228 1457 L CA 0.459 55.274 54.840 -0.042 0.000 0.918 1457 L CB -3.045 38.977 42.059 -0.062 0.000 1.865 1457 L HN 0.619 nan 8.230 nan 0.000 0.922 1458 T N -3.621 110.923 114.554 -0.016 0.000 7.113 1458 T HA -0.304 4.046 4.350 -0.000 0.000 0.290 1458 T C 0.403 175.100 174.700 -0.004 0.000 2.138 1458 T CA 1.600 63.695 62.100 -0.008 0.000 3.555 1458 T CB -0.545 68.308 68.868 -0.026 0.000 1.347 1458 T HN 0.567 nan 8.240 nan 0.000 0.958 1459 M N 2.189 121.776 119.600 -0.021 0.000 2.220 1459 M HA 0.444 4.924 4.480 -0.000 0.000 0.343 1459 M C 1.557 177.883 176.300 0.043 0.000 1.470 1459 M CA 0.772 56.059 55.300 -0.022 0.000 1.161 1459 M CB 0.717 33.267 32.600 -0.083 0.000 1.737 1459 M HN 0.392 nan 8.290 nan 0.000 0.464 1460 E N 4.123 124.363 120.200 0.066 0.000 2.077 1460 E HA -0.161 4.188 4.350 -0.000 0.000 0.193 1460 E C 0.370 177.117 176.600 0.246 0.000 0.989 1460 E CA 1.667 58.141 56.400 0.123 0.000 0.800 1460 E CB -0.120 29.610 29.700 0.049 0.000 0.746 1460 E HN 0.762 nan 8.360 nan 0.000 0.452 1461 N N -0.709 118.101 118.700 0.183 0.000 2.640 1461 N HA 0.260 5.000 4.740 -0.000 0.000 0.262 1461 N C -2.644 172.944 175.510 0.129 0.000 1.174 1461 N CA -2.023 51.200 53.050 0.288 0.000 0.791 1461 N CB 1.865 40.482 38.487 0.218 0.000 1.279 1461 N HN -0.169 nan 8.380 nan 0.000 0.535 1462 P HA 0.002 nan 4.420 nan 0.000 0.221 1462 P C 0.342 177.412 177.300 -0.383 0.000 1.145 1462 P CA 1.055 63.905 63.100 -0.416 0.000 0.795 1462 P CB 0.153 31.253 31.700 -0.999 0.000 0.775 1463 W N -1.308 120.090 121.300 0.163 0.000 3.015 1463 W HA 0.473 5.133 4.660 0.000 0.000 0.429 1463 W C 1.318 177.955 176.519 0.196 0.000 0.976 1463 W CA -0.298 57.176 57.345 0.215 0.000 2.086 1463 W CB -0.481 29.224 29.460 0.408 0.000 1.125 1463 W HN -0.008 nan 8.180 nan 0.000 0.721 1464 A N 1.043 124.018 122.820 0.258 0.000 1.978 1464 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 1464 A C 1.869 179.548 177.584 0.158 0.000 1.170 1464 A CA 1.585 53.737 52.037 0.192 0.000 0.636 1464 A CB -0.294 18.772 19.000 0.111 0.000 0.810 1464 A HN 0.178 nan 8.150 nan 0.000 0.448 1465 N N -1.116 117.660 118.700 0.128 0.000 2.405 1465 N HA -0.015 4.725 4.740 -0.000 0.000 0.175 1465 N C 0.477 176.052 175.510 0.108 0.000 1.051 1465 N CA 0.351 53.456 53.050 0.091 0.000 0.899 1465 N CB -0.557 37.958 38.487 0.045 0.000 1.000 1465 N HN 0.405 nan 8.380 nan 0.000 0.451 1466 c N 2.928 121.633 118.600 0.174 0.000 2.625 1466 c HA 0.060 4.630 4.570 -0.000 0.000 0.398 1466 c C 1.183 175.353 174.090 0.133 0.000 1.405 1466 c CA -0.109 56.328 56.329 0.180 0.000 1.398 1466 c CB -1.992 40.726 42.510 0.346 0.000 2.318 1466 c HN 0.215 nan 8.230 nan 0.000 0.623 1467 S N 3.611 119.356 115.700 0.074 0.000 2.871 1467 S HA 0.062 4.532 4.470 -0.000 0.000 0.254 1467 S C 0.839 175.454 174.600 0.026 0.000 1.088 1467 S CA 0.425 58.656 58.200 0.051 0.000 1.166 1467 S CB -0.137 63.084 63.200 0.035 0.000 0.826 1467 S HN 0.923 nan 8.310 nan 0.000 0.471 1468 S N 2.611 118.323 115.700 0.020 0.000 2.569 1468 S HA 0.314 4.784 4.470 -0.000 0.000 0.215 1468 S C -3.192 171.363 174.600 -0.075 0.000 1.096 1468 S CA -1.101 57.086 58.200 -0.023 0.000 1.183 1468 S CB 0.195 63.380 63.200 -0.025 0.000 1.324 1468 S HN 0.087 nan 8.310 nan 0.000 0.421 1469 P HA 0.369 nan 4.420 nan 0.000 0.297 1469 P C -0.133 177.074 177.300 -0.155 0.000 1.342 1469 P CA -0.376 62.617 63.100 -0.180 0.000 0.801 1469 P CB 0.860 32.482 31.700 -0.130 0.000 0.920 1470 L N 4.628 125.737 121.223 -0.191 0.000 3.720 1470 L HA -0.173 4.166 4.340 -0.000 0.000 0.555 1470 L C -1.691 174.905 176.870 -0.456 0.000 1.040 1470 L CA 0.176 54.855 54.840 -0.267 0.000 0.913 1470 L CB -1.104 40.841 42.059 -0.190 0.000 1.035 1470 L HN 0.419 nan 8.230 nan 0.000 0.717 1471 P HA -0.028 nan 4.420 nan 0.000 0.257 1471 P C 1.034 177.569 177.300 -1.276 0.000 1.227 1471 P CA 0.183 62.406 63.100 -1.462 0.000 0.981 1471 P CB 0.315 31.050 31.700 -1.608 0.000 1.044 1472 c N 1.561 119.572 118.600 -0.981 0.000 2.449 1472 c HA -0.068 4.502 4.570 -0.000 0.000 0.283 1472 c C 2.231 175.885 174.090 -0.727 0.000 1.453 1472 c CA 0.068 56.020 56.329 -0.629 0.000 1.779 1472 c CB -1.823 40.502 42.510 -0.308 0.000 1.779 1472 c HN 0.716 nan 8.230 nan 0.000 0.546 1473 W N 0.566 121.265 121.300 -1.001 0.000 2.584 1473 W HA 0.151 4.811 4.660 -0.000 0.000 0.264 1473 W C 1.216 177.522 176.519 -0.355 0.000 1.264 1473 W CA 0.759 57.544 57.345 -0.933 0.000 1.306 1473 W CB -0.848 28.009 29.460 -1.005 0.000 1.110 1473 W HN 0.047 nan 8.180 nan 0.000 0.606 1474 D N 0.072 120.112 120.400 -0.601 0.000 2.363 1474 D HA 0.012 4.652 4.640 -0.000 0.000 0.226 1474 D C -0.180 176.015 176.300 -0.175 0.000 1.020 1474 D CA 1.157 54.971 54.000 -0.309 0.000 0.892 1474 D CB -0.444 40.082 40.800 -0.457 0.000 0.900 1474 D HN 0.308 nan 8.370 nan 0.000 0.531 1475 Y N -0.780 119.423 120.300 -0.163 0.000 2.393 1475 Y HA 0.406 4.956 4.550 -0.000 0.000 0.320 1475 Y C 0.117 175.980 175.900 -0.061 0.000 1.241 1475 Y CA -1.797 56.248 58.100 -0.091 0.000 1.122 1475 Y CB -0.492 37.905 38.460 -0.104 0.000 1.322 1475 Y HN -0.028 nan 8.280 nan 0.000 0.441 1476 I N 2.803 123.361 120.570 -0.019 0.000 7.474 1476 I HA -0.361 3.809 4.170 -0.000 0.000 0.126 1476 I C -0.033 176.075 176.117 -0.014 0.000 1.805 1476 I CA 1.619 62.916 61.300 -0.005 0.000 2.128 1476 I CB -1.892 36.117 38.000 0.015 0.000 3.592 1476 I HN 1.089 nan 8.210 nan 0.000 0.196 1477 N N 1.115 119.805 118.700 -0.016 0.000 3.244 1477 N HA -0.237 4.502 4.740 -0.000 0.000 0.225 1477 N C 0.635 176.146 175.510 0.002 0.000 0.897 1477 N CA 0.641 53.684 53.050 -0.011 0.000 0.998 1477 N CB -0.586 37.890 38.487 -0.018 0.000 1.115 1477 N HN 0.700 nan 8.380 nan 0.000 0.545 1478 N N -2.555 116.150 118.700 0.009 0.000 2.954 1478 N HA -0.091 4.649 4.740 -0.000 0.000 0.175 1478 N C -1.091 174.429 175.510 0.016 0.000 1.038 1478 N CA 1.249 54.310 53.050 0.017 0.000 1.111 1478 N CB -0.993 37.503 38.487 0.015 0.000 0.984 1478 N HN 0.778 nan 8.380 nan 0.000 0.546 1479 Q N 0.076 119.881 119.800 0.008 0.000 2.552 1479 Q HA 0.673 5.013 4.340 -0.000 0.000 0.289 1479 Q C 0.016 176.018 176.000 0.002 0.000 1.097 1479 Q CA 0.061 55.868 55.803 0.006 0.000 0.812 1479 Q CB 1.305 30.042 28.738 -0.001 0.000 1.460 1479 Q HN 0.473 nan 8.270 nan 0.000 0.452 1480 c N 1.497 120.098 118.600 0.002 0.000 2.585 1480 c HA 0.591 5.161 4.570 -0.000 0.000 0.406 1480 c C -1.070 173.013 174.090 -0.012 0.000 1.312 1480 c CA 0.017 56.346 56.329 -0.000 0.000 1.924 1480 c CB -1.299 41.215 42.510 0.006 0.000 2.578 1480 c HN 0.729 nan 8.230 nan 0.000 0.580 1481 D N 4.537 124.927 120.400 -0.017 0.000 2.446 1481 D HA 0.225 4.865 4.640 -0.000 0.000 0.251 1481 D C 0.752 177.039 176.300 -0.022 0.000 1.137 1481 D CA -0.315 53.667 54.000 -0.030 0.000 0.890 1481 D CB 0.994 41.763 40.800 -0.052 0.000 1.071 1481 D HN 0.582 nan 8.370 nan 0.000 0.528 1482 E N 1.646 121.837 120.200 -0.015 0.000 2.265 1482 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 1482 E C 2.227 178.820 176.600 -0.012 0.000 0.996 1482 E CA 0.313 56.710 56.400 -0.005 0.000 0.832 1482 E CB 0.052 29.752 29.700 -0.000 0.000 0.756 1482 E HN 0.559 nan 8.360 nan 0.000 0.491 1483 L N -0.594 120.612 121.223 -0.027 0.000 2.376 1483 L HA -0.066 4.274 4.340 -0.000 0.000 0.219 1483 L C 2.452 179.298 176.870 -0.039 0.000 1.133 1483 L CA 1.616 56.435 54.840 -0.035 0.000 0.816 1483 L CB -1.264 40.764 42.059 -0.051 0.000 0.933 1483 L HN 0.227 nan 8.230 nan 0.000 0.449 1484 c N -0.669 117.909 118.600 -0.038 0.000 2.791 1484 c HA 0.201 4.771 4.570 -0.000 0.000 0.270 1484 c C 1.627 175.706 174.090 -0.018 0.000 1.257 1484 c CA 0.036 56.349 56.329 -0.027 0.000 1.699 1484 c CB -1.286 41.203 42.510 -0.034 0.000 1.904 1484 c HN 0.813 nan 8.230 nan 0.000 0.603 1485 N N 2.526 121.221 118.700 -0.009 0.000 3.303 1485 N HA 0.068 4.808 4.740 -0.000 0.000 0.304 1485 N C 0.024 175.547 175.510 0.022 0.000 1.302 1485 N CA 0.335 53.400 53.050 0.024 0.000 1.213 1485 N CB -0.100 38.416 38.487 0.048 0.000 1.481 1485 N HN 0.636 nan 8.380 nan 0.000 0.546 1486 T N -3.594 110.884 114.554 -0.126 0.000 2.896 1486 T HA 0.301 4.651 4.350 -0.000 0.000 0.297 1486 T C 1.329 175.574 174.700 -0.759 0.000 1.108 1486 T CA -0.795 61.147 62.100 -0.263 0.000 1.004 1486 T CB 0.943 69.727 68.868 -0.139 0.000 1.159 1486 T HN -0.154 nan 8.240 nan 0.000 0.499 1487 V N 1.348 120.696 119.914 -0.943 0.000 2.252 1487 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 1487 V C 2.741 178.533 176.094 -0.503 0.000 1.056 1487 V CA 2.004 63.650 62.300 -1.091 0.000 1.022 1487 V CB -0.995 30.562 31.823 -0.443 0.000 0.641 1487 V HN 0.922 nan 8.190 nan 0.000 0.445 1488 E N -0.248 119.794 120.200 -0.262 0.000 2.209 1488 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 1488 E C 1.820 178.389 176.600 -0.051 0.000 0.993 1488 E CA 1.686 58.023 56.400 -0.105 0.000 0.819 1488 E CB -0.493 29.183 29.700 -0.039 0.000 0.745 1488 E HN 0.659 nan 8.360 nan 0.000 0.477 1489 c N 1.083 119.635 118.600 -0.080 0.000 2.589 1489 c HA 0.301 4.871 4.570 -0.000 0.000 0.307 1489 c C 1.095 175.216 174.090 0.051 0.000 1.328 1489 c CA -0.461 55.928 56.329 0.101 0.000 1.742 1489 c CB -1.362 41.198 42.510 0.083 0.000 2.037 1489 c HN 0.439 nan 8.230 nan 0.000 0.592 1490 L N -1.160 119.973 121.223 -0.151 0.000 3.865 1490 L HA -0.249 4.091 4.340 -0.000 0.000 0.408 1490 L C 0.431 177.198 176.870 -0.172 0.000 1.209 1490 L CA 0.065 54.836 54.840 -0.116 0.000 0.940 1490 L CB -2.814 39.231 42.059 -0.023 0.000 1.971 1490 L HN 0.479 nan 8.230 nan 0.000 0.899 1491 F N -0.808 118.980 119.950 -0.270 0.000 3.079 1491 F HA -0.266 4.261 4.527 -0.000 0.000 0.274 1491 F C 1.188 176.770 175.800 -0.363 0.000 0.940 1491 F CA 1.352 59.078 58.000 -0.458 0.000 0.932 1491 F CB -1.454 36.941 39.000 -1.007 0.000 0.891 1491 F HN 0.587 nan 8.300 nan 0.000 0.722 1492 D N 1.324 121.707 120.400 -0.029 0.000 2.697 1492 D HA -0.339 4.301 4.640 -0.000 0.000 0.235 1492 D C 0.657 176.971 176.300 0.023 0.000 1.167 1492 D CA 1.532 55.542 54.000 0.018 0.000 0.656 1492 D CB -1.102 39.696 40.800 -0.003 0.000 1.025 1492 D HN 0.732 nan 8.370 nan 0.000 0.419 1493 N N 0.223 118.963 118.700 0.066 0.000 2.678 1493 N HA -0.310 4.430 4.740 -0.000 0.000 0.249 1493 N C -0.109 175.529 175.510 0.213 0.000 1.119 1493 N CA 0.897 54.043 53.050 0.159 0.000 0.718 1493 N CB -1.134 37.437 38.487 0.140 0.000 1.060 1493 N HN 0.525 nan 8.380 nan 0.000 0.552 1494 F N -1.818 118.116 119.950 -0.028 0.000 3.100 1494 F HA -0.283 4.243 4.527 -0.000 0.000 0.283 1494 F C 1.304 177.020 175.800 -0.140 0.000 0.900 1494 F CA 1.380 59.224 58.000 -0.260 0.000 1.010 1494 F CB -1.665 36.944 39.000 -0.650 0.000 1.029 1494 F HN 0.368 nan 8.300 nan 0.000 0.637 1495 E N -1.230 119.000 120.200 0.049 0.000 2.140 1495 E HA 0.006 4.356 4.350 -0.000 0.000 0.191 1495 E C 0.984 177.600 176.600 0.027 0.000 0.973 1495 E CA 0.728 57.159 56.400 0.050 0.000 0.829 1495 E CB 0.140 29.865 29.700 0.043 0.000 0.781 1495 E HN 0.398 nan 8.360 nan 0.000 0.466 1496 c N 2.742 121.346 118.600 0.007 0.000 2.492 1496 c HA 0.072 4.642 4.570 -0.000 0.000 0.362 1496 c C 0.977 175.083 174.090 0.026 0.000 1.207 1496 c CA 0.072 56.410 56.329 0.015 0.000 1.626 1496 c CB -1.947 40.571 42.510 0.013 0.000 2.239 1496 c HN 0.483 nan 8.230 nan 0.000 0.547 1497 Q N 3.045 122.873 119.800 0.046 0.000 1.675 1497 Q HA -0.284 4.056 4.340 -0.000 0.000 0.365 1497 Q C 1.209 177.249 176.000 0.068 0.000 0.856 1497 Q CA 2.186 58.035 55.803 0.077 0.000 0.832 1497 Q CB -1.598 27.216 28.738 0.126 0.000 3.604 1497 Q HN 1.884 nan 8.270 nan 0.000 0.678 1498 G N 1.631 110.483 108.800 0.086 0.000 2.309 1498 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.286 1498 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.286 1498 G C -0.228 174.735 174.900 0.105 0.000 1.002 1498 G CA 1.205 46.274 45.100 -0.052 0.000 0.786 1498 G HN 0.916 nan 8.290 nan 0.000 0.511 1499 N N -1.931 116.850 118.700 0.135 0.000 2.889 1499 N HA -0.150 4.590 4.740 -0.000 0.000 0.286 1499 N C 0.862 176.447 175.510 0.125 0.000 1.721 1499 N CA 1.113 54.235 53.050 0.119 0.000 1.506 1499 N CB -1.014 37.525 38.487 0.088 0.000 0.882 1499 N HN 0.381 nan 8.380 nan 0.000 0.501 1500 S N 0.474 116.218 115.700 0.073 0.000 2.503 1500 S HA -0.016 4.454 4.470 -0.000 0.000 0.215 1500 S C 0.853 175.468 174.600 0.025 0.000 1.003 1500 S CA 0.146 58.382 58.200 0.060 0.000 0.910 1500 S CB 0.371 63.599 63.200 0.048 0.000 0.790 1500 S HN 0.658 nan 8.310 nan 0.000 0.514 1501 K N 2.227 122.630 120.400 0.006 0.000 2.168 1501 K HA 0.341 4.661 4.320 -0.000 0.000 0.258 1501 K C 0.242 176.813 176.600 -0.049 0.000 1.010 1501 K CA -0.356 55.916 56.287 -0.024 0.000 0.929 1501 K CB 0.242 32.721 32.500 -0.035 0.000 0.998 1501 K HN 0.053 nan 8.250 nan 0.000 0.479 1502 T N -1.711 112.804 114.554 -0.064 0.000 2.884 1502 T HA 0.161 4.511 4.350 -0.000 0.000 0.277 1502 T C -0.013 174.622 174.700 -0.109 0.000 0.976 1502 T CA -1.088 60.961 62.100 -0.084 0.000 0.956 1502 T CB 1.085 69.913 68.868 -0.066 0.000 1.113 1502 T HN 0.733 nan 8.240 nan 0.000 0.554 1503 c N 2.070 120.604 118.600 -0.111 0.000 2.624 1503 c HA 0.257 4.827 4.570 -0.000 0.000 0.397 1503 c C 2.089 176.105 174.090 -0.123 0.000 1.331 1503 c CA -0.312 55.953 56.329 -0.106 0.000 1.716 1503 c CB -1.467 41.000 42.510 -0.071 0.000 2.452 1503 c HN 1.096 nan 8.230 nan 0.000 0.586 1504 K N 3.510 123.781 120.400 -0.214 0.000 2.044 1504 K HA -0.154 4.166 4.320 -0.000 0.000 0.210 1504 K C -0.127 176.213 176.600 -0.434 0.000 1.049 1504 K CA 1.885 57.928 56.287 -0.407 0.000 0.927 1504 K CB -0.109 31.995 32.500 -0.661 0.000 0.713 1504 K HN 0.828 nan 8.250 nan 0.000 0.443 1505 Y N 1.014 121.326 120.300 0.019 0.000 2.850 1505 Y HA 0.114 4.664 4.550 -0.000 0.000 0.360 1505 Y C 0.446 176.404 175.900 0.098 0.000 1.174 1505 Y CA -0.796 57.338 58.100 0.057 0.000 1.373 1505 Y CB 0.406 38.898 38.460 0.054 0.000 1.487 1505 Y HN 0.157 nan 8.280 nan 0.000 0.553 1506 D N 0.889 121.371 120.400 0.136 0.000 2.144 1506 D HA -0.175 4.465 4.640 -0.000 0.000 0.200 1506 D C 2.182 178.554 176.300 0.119 0.000 0.978 1506 D CA 1.444 55.498 54.000 0.089 0.000 0.833 1506 D CB 0.387 41.202 40.800 0.024 0.000 0.961 1506 D HN 0.373 nan 8.370 nan 0.000 0.470 1507 K N -1.115 119.373 120.400 0.146 0.000 2.001 1507 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 1507 K C 2.207 178.926 176.600 0.199 0.000 1.048 1507 K CA 1.015 57.387 56.287 0.142 0.000 0.932 1507 K CB -0.410 32.170 32.500 0.134 0.000 0.715 1507 K HN 0.201 nan 8.250 nan 0.000 0.437 1508 Y N 1.195 121.581 120.300 0.143 0.000 2.097 1508 Y HA -0.324 4.226 4.550 -0.000 0.000 0.282 1508 Y C 2.321 178.373 175.900 0.252 0.000 1.152 1508 Y CA 1.881 60.085 58.100 0.172 0.000 1.136 1508 Y CB -0.552 37.942 38.460 0.056 0.000 0.975 1508 Y HN 0.181 nan 8.280 nan 0.000 0.498 1509 c N 0.236 119.000 118.600 0.272 0.000 2.425 1509 c HA -0.098 4.472 4.570 -0.000 0.000 0.277 1509 c C 3.037 177.227 174.090 0.165 0.000 1.280 1509 c CA 1.010 57.459 56.329 0.199 0.000 1.744 1509 c CB -1.806 40.842 42.510 0.229 0.000 1.989 1509 c HN 0.734 nan 8.230 nan 0.000 0.491 1510 A N 0.714 123.601 122.820 0.112 0.000 1.933 1510 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 1510 A C 1.713 179.337 177.584 0.067 0.000 1.175 1510 A CA 2.054 54.124 52.037 0.055 0.000 0.628 1510 A CB -0.521 18.480 19.000 0.002 0.000 0.814 1510 A HN 0.515 nan 8.150 nan 0.000 0.444 1511 D N -1.118 119.301 120.400 0.032 0.000 2.269 1511 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 1511 D C 0.817 176.952 176.300 -0.275 0.000 0.963 1511 D CA 1.130 55.068 54.000 -0.104 0.000 0.864 1511 D CB -0.217 40.497 40.800 -0.143 0.000 0.936 1511 D HN 0.684 nan 8.370 nan 0.000 0.505 1512 H N -1.786 117.214 119.070 -0.116 0.000 2.672 1512 H HA 0.211 4.767 4.556 -0.000 0.000 0.277 1512 H C -0.335 175.009 175.328 0.027 0.000 1.074 1512 H CA -0.609 55.377 56.048 -0.103 0.000 1.173 1512 H CB -0.130 29.460 29.762 -0.285 0.000 1.558 1512 H HN -0.020 nan 8.280 nan 0.000 0.539 1513 F N 2.578 122.541 119.950 0.022 0.000 2.578 1513 F HA 0.066 4.593 4.527 -0.000 0.000 0.381 1513 F C 0.936 176.748 175.800 0.019 0.000 1.069 1513 F CA -0.002 58.014 58.000 0.026 0.000 1.231 1513 F CB 0.268 39.277 39.000 0.015 0.000 1.086 1513 F HN 0.054 nan 8.300 nan 0.000 0.564 1514 K N 3.764 123.896 120.400 -0.447 0.000 3.257 1514 K HA -0.228 4.092 4.320 -0.000 0.000 0.270 1514 K C -0.307 176.242 176.600 -0.085 0.000 0.984 1514 K CA 0.993 57.093 56.287 -0.311 0.000 0.739 1514 K CB -1.138 31.164 32.500 -0.331 0.000 1.351 1514 K HN 0.849 nan 8.250 nan 0.000 0.463 1515 D N -0.271 120.106 120.400 -0.039 0.000 2.501 1515 D HA 0.082 4.722 4.640 -0.000 0.000 0.226 1515 D C 0.013 176.331 176.300 0.031 0.000 1.198 1515 D CA -0.206 53.796 54.000 0.004 0.000 0.830 1515 D CB 0.093 40.898 40.800 0.008 0.000 1.014 1515 D HN 0.346 nan 8.370 nan 0.000 0.496 1516 N N -0.078 118.630 118.700 0.013 0.000 2.828 1516 N HA -0.244 4.496 4.740 -0.000 0.000 0.248 1516 N C -0.843 174.724 175.510 0.096 0.000 1.044 1516 N CA 1.046 54.114 53.050 0.031 0.000 0.851 1516 N CB -2.038 36.465 38.487 0.026 0.000 1.136 1516 N HN 0.685 nan 8.380 nan 0.000 0.572 1517 H N -0.628 118.440 119.070 -0.003 0.000 2.667 1517 H HA 0.510 5.066 4.556 -0.000 0.000 0.353 1517 H C -0.535 174.804 175.328 0.018 0.000 1.072 1517 H CA -0.540 55.517 56.048 0.015 0.000 1.214 1517 H CB 1.256 31.040 29.762 0.036 0.000 1.600 1517 H HN 0.248 nan 8.280 nan 0.000 0.527 1518 c N 5.982 124.229 118.600 -0.588 0.000 2.629 1518 c HA 0.347 4.917 4.570 -0.000 0.000 0.410 1518 c C -0.594 173.221 174.090 -0.459 0.000 1.339 1518 c CA -0.326 55.757 56.329 -0.409 0.000 1.810 1518 c CB -1.419 40.929 42.510 -0.269 0.000 2.549 1518 c HN 0.807 nan 8.230 nan 0.000 0.589 1519 N N 4.857 123.475 118.700 -0.135 0.000 2.479 1519 N HA 0.122 4.862 4.740 -0.000 0.000 0.261 1519 N C 0.291 175.823 175.510 0.036 0.000 0.979 1519 N CA -0.251 52.803 53.050 0.007 0.000 0.930 1519 N CB 1.823 40.380 38.487 0.117 0.000 1.172 1519 N HN 0.767 nan 8.380 nan 0.000 0.499 1520 Q N 2.428 122.244 119.800 0.028 0.000 2.119 1520 Q HA 0.020 4.360 4.340 -0.000 0.000 0.201 1520 Q C 1.795 177.835 176.000 0.066 0.000 0.972 1520 Q CA 1.598 57.423 55.803 0.037 0.000 0.847 1520 Q CB -0.438 28.314 28.738 0.022 0.000 0.903 1520 Q HN 0.841 nan 8.270 nan 0.000 0.433 1521 G N -1.253 107.596 108.800 0.081 0.000 2.498 1521 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.219 1521 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.219 1521 G C 1.025 176.024 174.900 0.165 0.000 1.119 1521 G CA 1.112 46.289 45.100 0.129 0.000 0.766 1521 G HN 0.488 nan 8.290 nan 0.000 0.552 1522 c N -0.408 118.277 118.600 0.142 0.000 3.183 1522 c HA 0.274 4.844 4.570 -0.000 0.000 0.285 1522 c C 1.090 175.221 174.090 0.069 0.000 1.313 1522 c CA -1.264 55.139 56.329 0.124 0.000 1.711 1522 c CB -0.821 41.789 42.510 0.167 0.000 2.135 1522 c HN 0.334 nan 8.230 nan 0.000 0.651 1523 N N 3.046 121.791 118.700 0.075 0.000 2.971 1523 N HA 0.142 4.882 4.740 -0.000 0.000 0.294 1523 N C -0.128 175.425 175.510 0.072 0.000 1.210 1523 N CA 0.370 53.487 53.050 0.112 0.000 1.157 1523 N CB -0.115 38.441 38.487 0.115 0.000 1.450 1523 N HN 0.708 nan 8.380 nan 0.000 0.527 1524 S N -0.742 114.861 115.700 -0.162 0.000 2.596 1524 S HA 0.257 4.727 4.470 -0.000 0.000 0.270 1524 S C 0.788 174.692 174.600 -1.160 0.000 1.155 1524 S CA -0.880 57.074 58.200 -0.410 0.000 0.827 1524 S CB 1.487 64.560 63.200 -0.213 0.000 1.130 1524 S HN 0.278 nan 8.310 nan 0.000 0.467 1525 E N 1.114 120.608 120.200 -1.177 0.000 2.038 1525 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 1525 E C 1.783 177.833 176.600 -0.916 0.000 1.000 1525 E CA 1.858 57.350 56.400 -1.512 0.000 0.803 1525 E CB -0.225 29.151 29.700 -0.540 0.000 0.750 1525 E HN 0.763 nan 8.360 nan 0.000 0.448 1526 E N -0.033 119.854 120.200 -0.522 0.000 2.265 1526 E HA -0.173 4.176 4.350 -0.000 0.000 0.196 1526 E C 1.482 177.888 176.600 -0.322 0.000 0.996 1526 E CA 1.127 57.308 56.400 -0.366 0.000 0.832 1526 E CB -0.316 29.250 29.700 -0.224 0.000 0.756 1526 E HN 0.332 nan 8.360 nan 0.000 0.491 1527 c N 0.642 119.045 118.600 -0.328 0.000 2.884 1527 c HA 0.503 5.073 4.570 -0.000 0.000 0.287 1527 c C 1.443 175.469 174.090 -0.108 0.000 1.310 1527 c CA -0.069 56.158 56.329 -0.171 0.000 1.725 1527 c CB -0.679 41.791 42.510 -0.067 0.000 2.060 1527 c HN 0.634 nan 8.230 nan 0.000 0.618 1528 G N 0.413 109.043 108.800 -0.283 0.000 2.198 1528 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 1528 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 1528 G C 0.256 175.326 174.900 0.283 0.000 1.025 1528 G CA 0.169 45.265 45.100 -0.006 0.000 0.769 1528 G HN 0.639 nan 8.290 nan 0.000 0.507 1529 W N -1.249 120.098 121.300 0.080 0.000 5.538 1529 W HA -0.204 4.456 4.660 -0.000 0.000 0.377 1529 W C 0.681 177.189 176.519 -0.019 0.000 1.406 1529 W CA 1.468 58.829 57.345 0.027 0.000 0.940 1529 W CB -2.068 27.392 29.460 0.000 0.000 2.536 1529 W HN 0.937 nan 8.180 nan 0.000 1.504 1530 D N -0.148 120.345 120.400 0.154 0.000 2.737 1530 D HA -0.143 4.496 4.640 -0.000 0.000 0.233 1530 D C 1.255 177.332 176.300 -0.372 0.000 1.155 1530 D CA 2.896 56.897 54.000 0.000 0.000 0.667 1530 D CB -1.022 39.792 40.800 0.024 0.000 1.060 1530 D HN 0.931 nan 8.370 nan 0.000 0.427 1531 G N -0.323 108.066 108.800 -0.684 0.000 2.283 1531 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.280 1531 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.280 1531 G C 1.024 175.713 174.900 -0.353 0.000 1.029 1531 G CA 0.292 44.818 45.100 -0.957 0.000 0.840 1531 G HN 1.347 nan 8.290 nan 0.000 0.505 1532 L N -2.526 118.612 121.223 -0.141 0.000 4.496 1532 L HA -0.237 4.102 4.340 -0.000 0.000 0.419 1532 L C 1.517 178.331 176.870 -0.093 0.000 1.139 1532 L CA 0.964 55.755 54.840 -0.082 0.000 0.975 1532 L CB -1.395 40.616 42.059 -0.080 0.000 2.099 1532 L HN 0.329 nan 8.230 nan 0.000 0.818 1533 D N -0.292 120.039 120.400 -0.116 0.000 2.263 1533 D HA -0.064 4.576 4.640 -0.000 0.000 0.208 1533 D C 1.692 177.946 176.300 -0.077 0.000 0.971 1533 D CA 1.697 55.639 54.000 -0.096 0.000 0.867 1533 D CB 0.028 40.767 40.800 -0.102 0.000 0.929 1533 D HN 0.634 nan 8.370 nan 0.000 0.492 1534 c N -0.102 118.464 118.600 -0.058 0.000 2.780 1534 c HA 0.433 5.003 4.570 -0.000 0.000 0.267 1534 c C 1.782 175.847 174.090 -0.041 0.000 1.266 1534 c CA -0.242 56.059 56.329 -0.048 0.000 1.709 1534 c CB -0.324 42.175 42.510 -0.018 0.000 1.975 1534 c HN 0.234 nan 8.230 nan 0.000 0.582 1535 A N 0.217 123.008 122.820 -0.049 0.000 2.713 1535 A HA 0.653 4.972 4.320 -0.000 0.000 0.296 1535 A C 1.750 179.301 177.584 -0.054 0.000 1.255 1535 A CA 0.682 52.684 52.037 -0.059 0.000 0.955 1535 A CB -0.306 18.643 19.000 -0.085 0.000 1.149 1535 A HN 0.373 nan 8.150 nan 0.000 0.538 1536 A N 0.294 123.086 122.820 -0.046 0.000 1.940 1536 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 1536 A C 1.514 179.078 177.584 -0.033 0.000 1.176 1536 A CA 2.096 54.110 52.037 -0.039 0.000 0.631 1536 A CB -0.326 18.655 19.000 -0.032 0.000 0.814 1536 A HN 0.449 nan 8.150 nan 0.000 0.446 1537 D N -1.027 119.354 120.400 -0.031 0.000 2.277 1537 D HA 0.058 4.698 4.640 -0.000 0.000 0.208 1537 D C 1.018 177.299 176.300 -0.032 0.000 0.962 1537 D CA 0.584 54.567 54.000 -0.027 0.000 0.865 1537 D CB -0.118 40.668 40.800 -0.023 0.000 0.939 1537 D HN 0.442 nan 8.370 nan 0.000 0.510 1538 Q N 1.141 120.916 119.800 -0.041 0.000 2.286 1538 Q HA 0.188 4.527 4.340 -0.000 0.000 0.267 1538 Q C -2.417 173.556 176.000 -0.045 0.000 1.028 1538 Q CA -1.535 54.240 55.803 -0.048 0.000 0.901 1538 Q CB 0.887 29.586 28.738 -0.066 0.000 1.183 1538 Q HN -0.038 nan 8.270 nan 0.000 0.392 1539 P HA -0.019 nan 4.420 nan 0.000 0.268 1539 P C -1.071 176.207 177.300 -0.038 0.000 1.205 1539 P CA -0.136 62.945 63.100 -0.033 0.000 0.771 1539 P CB 0.402 32.086 31.700 -0.027 0.000 0.858 1540 E N 1.543 121.725 120.200 -0.031 0.000 2.392 1540 E HA 0.047 4.396 4.350 -0.000 0.000 0.264 1540 E C -0.392 176.192 176.600 -0.027 0.000 1.024 1540 E CA -0.342 56.039 56.400 -0.031 0.000 0.903 1540 E CB 0.128 29.816 29.700 -0.021 0.000 0.963 1540 E HN 0.174 nan 8.360 nan 0.000 0.432 1541 N N 4.151 122.833 118.700 -0.031 0.000 2.804 1541 N HA 0.199 4.939 4.740 -0.000 0.000 0.251 1541 N C -1.342 174.166 175.510 -0.005 0.000 1.250 1541 N CA -0.455 52.582 53.050 -0.022 0.000 0.820 1541 N CB 0.256 38.721 38.487 -0.038 0.000 1.156 1541 N HN 0.510 nan 8.380 nan 0.000 0.512 1542 L N 1.235 122.462 121.223 0.007 0.000 2.397 1542 L HA 0.509 4.849 4.340 -0.000 0.000 0.271 1542 L C 1.036 177.929 176.870 0.038 0.000 1.148 1542 L CA -0.836 54.017 54.840 0.022 0.000 0.825 1542 L CB 0.810 42.882 42.059 0.021 0.000 1.117 1542 L HN 0.323 nan 8.230 nan 0.000 0.456 1543 A N 2.999 125.854 122.820 0.058 0.000 2.407 1543 A HA 0.238 4.558 4.320 -0.000 0.000 0.248 1543 A C 0.075 177.695 177.584 0.059 0.000 1.082 1543 A CA -0.442 51.642 52.037 0.078 0.000 0.785 1543 A CB 0.088 19.159 19.000 0.118 0.000 1.020 1543 A HN 0.783 nan 8.150 nan 0.000 0.489 1544 E N 0.373 120.608 120.200 0.059 0.000 2.384 1544 E HA 0.434 4.784 4.350 -0.000 0.000 0.266 1544 E C 0.649 177.274 176.600 0.042 0.000 1.012 1544 E CA 1.075 57.502 56.400 0.046 0.000 0.901 1544 E CB 0.520 30.246 29.700 0.043 0.000 0.967 1544 E HN 1.331 nan 8.360 nan 0.000 0.435 1545 G N 1.842 110.665 108.800 0.037 0.000 2.603 1545 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.686 1545 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.686 1545 G C -0.719 174.205 174.900 0.040 0.000 1.286 1545 G CA -0.766 44.354 45.100 0.034 0.000 0.871 1545 G HN 0.484 nan 8.290 nan 0.000 0.568 1546 T N 0.495 115.076 114.554 0.045 0.000 2.886 1546 T HA 0.620 4.970 4.350 -0.000 0.000 0.292 1546 T C 0.131 174.842 174.700 0.019 0.000 1.012 1546 T CA -0.597 61.544 62.100 0.069 0.000 0.982 1546 T CB 1.557 70.520 68.868 0.159 0.000 1.018 1546 T HN 0.644 nan 8.240 nan 0.000 0.451 1547 L N 2.868 124.083 121.223 -0.012 0.000 2.276 1547 L HA 0.569 4.909 4.340 -0.000 0.000 0.286 1547 L C -0.463 176.322 176.870 -0.142 0.000 1.061 1547 L CA -0.846 53.946 54.840 -0.080 0.000 0.807 1547 L CB 1.058 43.060 42.059 -0.095 0.000 1.177 1547 L HN 0.354 nan 8.230 nan 0.000 0.429 1548 V N 5.643 125.415 119.914 -0.236 0.000 2.357 1548 V HA 0.471 4.590 4.120 -0.000 0.000 0.284 1548 V C 0.045 175.941 176.094 -0.330 0.000 1.018 1548 V CA -0.315 61.701 62.300 -0.474 0.000 0.841 1548 V CB 1.664 33.124 31.823 -0.605 0.000 0.991 1548 V HN 0.523 nan 8.190 nan 0.000 0.437 1549 I N 4.650 125.039 120.570 -0.301 0.000 2.545 1549 I HA 0.499 4.669 4.170 -0.000 0.000 0.292 1549 I C -0.662 175.324 176.117 -0.218 0.000 1.040 1549 I CA -0.905 60.284 61.300 -0.184 0.000 1.068 1549 I CB 2.477 40.450 38.000 -0.045 0.000 1.251 1549 I HN 0.273 nan 8.210 nan 0.000 0.424 1550 V N 6.778 126.547 119.914 -0.240 0.000 2.394 1550 V HA 0.452 4.572 4.120 -0.000 0.000 0.282 1550 V C -0.334 175.663 176.094 -0.162 0.000 1.031 1550 V CA -0.606 61.511 62.300 -0.304 0.000 0.881 1550 V CB 1.952 33.433 31.823 -0.569 0.000 0.982 1550 V HN 0.469 nan 8.190 nan 0.000 0.451 1551 V N 6.787 126.624 119.914 -0.128 0.000 2.709 1551 V HA 0.494 4.614 4.120 -0.000 0.000 0.308 1551 V C -0.014 176.056 176.094 -0.039 0.000 1.062 1551 V CA -0.616 61.650 62.300 -0.057 0.000 0.901 1551 V CB 2.196 33.966 31.823 -0.089 0.000 1.003 1551 V HN 0.780 nan 8.190 nan 0.000 0.425 1552 L N 6.987 128.218 121.223 0.012 0.000 2.821 1552 L HA 0.355 4.695 4.340 -0.000 0.000 0.239 1552 L C -0.067 176.820 176.870 0.028 0.000 1.391 1552 L CA 0.568 55.428 54.840 0.032 0.000 1.231 1552 L CB -0.665 41.422 42.059 0.046 0.000 1.598 1552 L HN 0.550 nan 8.230 nan 0.000 0.428 1553 M N 1.339 120.937 119.600 -0.003 0.000 2.393 1553 M HA 0.450 4.930 4.480 -0.000 0.000 0.299 1553 M C -2.525 173.762 176.300 -0.021 0.000 1.103 1553 M CA -1.816 53.480 55.300 -0.006 0.000 0.910 1553 M CB 3.043 35.627 32.600 -0.027 0.000 1.659 1553 M HN -0.170 nan 8.290 nan 0.000 0.445 1554 P HA 0.166 nan 4.420 nan 0.000 0.272 1554 P C -2.461 174.830 177.300 -0.014 0.000 1.230 1554 P CA -1.019 62.100 63.100 0.032 0.000 0.788 1554 P CB 0.053 31.811 31.700 0.097 0.000 0.949 1555 P HA -0.226 nan 4.420 nan 0.000 0.217 1555 P C 1.413 178.687 177.300 -0.043 0.000 1.158 1555 P CA 1.881 64.949 63.100 -0.053 0.000 0.887 1555 P CB -0.074 31.605 31.700 -0.035 0.000 0.792 1556 E N -0.639 119.556 120.200 -0.008 0.000 2.106 1556 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 1556 E C 2.105 178.698 176.600 -0.012 0.000 0.984 1556 E CA 0.947 57.343 56.400 -0.007 0.000 0.806 1556 E CB -0.697 29.010 29.700 0.011 0.000 0.750 1556 E HN 0.456 nan 8.360 nan 0.000 0.458 1557 Q N 0.342 120.137 119.800 -0.009 0.000 2.079 1557 Q HA -0.139 4.200 4.340 -0.000 0.000 0.200 1557 Q C 2.258 178.240 176.000 -0.031 0.000 0.974 1557 Q CA 0.835 56.633 55.803 -0.008 0.000 0.840 1557 Q CB -0.044 28.697 28.738 0.004 0.000 0.898 1557 Q HN 0.170 nan 8.270 nan 0.000 0.430 1558 L N 0.656 121.830 121.223 -0.080 0.000 2.017 1558 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 1558 L C 2.053 178.852 176.870 -0.118 0.000 1.073 1558 L CA 1.654 56.394 54.840 -0.167 0.000 0.745 1558 L CB -0.574 41.313 42.059 -0.286 0.000 0.894 1558 L HN 0.308 nan 8.230 nan 0.000 0.432 1559 L N -0.693 120.480 121.223 -0.083 0.000 2.079 1559 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 1559 L C 3.037 179.897 176.870 -0.016 0.000 1.081 1559 L CA 1.687 56.498 54.840 -0.048 0.000 0.752 1559 L CB -1.140 40.892 42.059 -0.044 0.000 0.896 1559 L HN 0.524 nan 8.230 nan 0.000 0.433 1560 Q N -0.792 119.002 119.800 -0.010 0.000 2.167 1560 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 1560 Q C 1.575 177.591 176.000 0.026 0.000 0.970 1560 Q CA 1.962 57.770 55.803 0.008 0.000 0.855 1560 Q CB -0.527 28.216 28.738 0.008 0.000 0.911 1560 Q HN 0.446 nan 8.270 nan 0.000 0.438 1561 D N -1.814 118.605 120.400 0.031 0.000 2.463 1561 D HA 0.511 5.151 4.640 -0.000 0.000 0.224 1561 D C 1.555 177.908 176.300 0.088 0.000 1.174 1561 D CA 0.558 54.603 54.000 0.076 0.000 0.829 1561 D CB 0.028 40.901 40.800 0.122 0.000 0.993 1561 D HN 0.444 nan 8.370 nan 0.000 0.497 1562 A N 0.357 123.215 122.820 0.063 0.000 1.865 1562 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 1562 A C 2.172 179.848 177.584 0.153 0.000 1.191 1562 A CA 1.305 53.401 52.037 0.099 0.000 0.623 1562 A CB -0.292 18.750 19.000 0.070 0.000 0.826 1562 A HN 0.238 nan 8.150 nan 0.000 0.444 1563 R N -0.759 119.831 120.500 0.150 0.000 2.094 1563 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 1563 R C 2.713 179.073 176.300 0.099 0.000 1.137 1563 R CA 1.765 58.005 56.100 0.233 0.000 0.943 1563 R CB -0.537 29.913 30.300 0.249 0.000 0.850 1563 R HN 0.565 nan 8.270 nan 0.000 0.433 1564 S N -0.066 115.671 115.700 0.062 0.000 2.382 1564 S HA -0.160 4.309 4.470 -0.000 0.000 0.228 1564 S C 1.695 176.280 174.600 -0.025 0.000 1.027 1564 S CA 1.049 59.255 58.200 0.010 0.000 0.991 1564 S CB -0.270 63.016 63.200 0.143 0.000 0.823 1564 S HN 0.355 nan 8.310 nan 0.000 0.469 1565 F N 2.117 121.918 119.950 -0.247 0.000 2.102 1565 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 1565 F C 1.779 177.339 175.800 -0.400 0.000 1.105 1565 F CA 1.502 59.112 58.000 -0.651 0.000 1.239 1565 F CB -0.494 38.161 39.000 -0.575 0.000 0.991 1565 F HN 0.190 nan 8.300 nan 0.000 0.474 1566 L N -0.059 121.018 121.223 -0.244 0.000 2.141 1566 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 1566 L C 2.687 179.399 176.870 -0.263 0.000 1.094 1566 L CA 1.475 56.182 54.840 -0.220 0.000 0.763 1566 L CB -0.704 41.407 42.059 0.087 0.000 0.908 1566 L HN 0.125 nan 8.230 nan 0.000 0.437 1567 R N 0.474 120.685 120.500 -0.483 0.000 2.066 1567 R HA -0.144 4.195 4.340 -0.000 0.000 0.232 1567 R C 2.389 178.428 176.300 -0.436 0.000 1.131 1567 R CA 1.377 56.985 56.100 -0.819 0.000 0.955 1567 R CB -0.225 29.247 30.300 -1.381 0.000 0.851 1567 R HN 0.299 nan 8.270 nan 0.000 0.432 1568 A N 1.119 123.739 122.820 -0.332 0.000 1.877 1568 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 1568 A C 2.183 179.612 177.584 -0.260 0.000 1.186 1568 A CA 1.271 53.188 52.037 -0.199 0.000 0.620 1568 A CB -0.504 18.515 19.000 0.032 0.000 0.822 1568 A HN 0.348 nan 8.150 nan 0.000 0.443 1569 L N -1.143 119.843 121.223 -0.395 0.000 2.131 1569 L HA -0.021 4.319 4.340 -0.000 0.000 0.206 1569 L C 2.828 179.545 176.870 -0.254 0.000 1.087 1569 L CA 0.947 55.562 54.840 -0.376 0.000 0.767 1569 L CB -0.963 40.757 42.059 -0.565 0.000 0.917 1569 L HN 0.492 nan 8.230 nan 0.000 0.441 1570 G N 0.339 109.013 108.800 -0.211 0.000 2.418 1570 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.217 1570 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.217 1570 G C 1.697 176.537 174.900 -0.101 0.000 1.158 1570 G CA 1.412 46.465 45.100 -0.078 0.000 0.771 1570 G HN 0.450 nan 8.290 nan 0.000 0.545 1571 T N -0.805 113.629 114.554 -0.199 0.000 3.023 1571 T HA 0.171 4.521 4.350 -0.000 0.000 0.266 1571 T C 2.366 176.837 174.700 -0.382 0.000 1.093 1571 T CA 0.439 62.352 62.100 -0.313 0.000 1.129 1571 T CB -0.131 68.558 68.868 -0.298 0.000 0.899 1571 T HN 0.174 nan 8.240 nan 0.000 0.491 1572 L N 0.114 121.179 121.223 -0.264 0.000 2.056 1572 L HA 0.133 4.473 4.340 -0.000 0.000 0.207 1572 L C 2.423 179.252 176.870 -0.068 0.000 1.078 1572 L CA 1.263 55.956 54.840 -0.245 0.000 0.749 1572 L CB -0.373 41.462 42.059 -0.374 0.000 0.901 1572 L HN 0.299 nan 8.230 nan 0.000 0.433 1573 L N -1.631 119.580 121.223 -0.019 0.000 2.591 1573 L HA 0.010 4.350 4.340 -0.000 0.000 0.228 1573 L C 0.206 177.228 176.870 0.253 0.000 1.133 1573 L CA -0.059 54.923 54.840 0.238 0.000 0.880 1573 L CB -0.448 41.706 42.059 0.158 0.000 1.033 1573 L HN 0.319 nan 8.230 nan 0.000 0.450 1574 H N -0.661 118.281 119.070 -0.213 0.000 2.770 1574 H HA -0.173 4.383 4.556 -0.000 0.000 0.309 1574 H C 0.356 175.815 175.328 0.219 0.000 1.206 1574 H CA 0.973 56.889 56.048 -0.220 0.000 1.147 1574 H CB -1.504 27.781 29.762 -0.795 0.000 1.422 1574 H HN 0.391 nan 8.280 nan 0.000 0.420 1575 T N -1.665 113.103 114.554 0.358 0.000 2.637 1575 T HA 0.394 4.744 4.350 -0.000 0.000 0.303 1575 T C -1.076 173.818 174.700 0.323 0.000 1.288 1575 T CA -0.862 61.479 62.100 0.402 0.000 1.040 1575 T CB 1.354 70.401 68.868 0.299 0.000 1.644 1575 T HN 0.267 nan 8.240 nan 0.000 0.480 1576 N N 1.422 120.245 118.700 0.204 0.000 2.362 1576 N HA 0.598 5.338 4.740 -0.000 0.000 0.298 1576 N C -1.149 174.421 175.510 0.100 0.000 1.048 1576 N CA -0.357 52.795 53.050 0.169 0.000 0.858 1576 N CB 1.758 40.313 38.487 0.114 0.000 1.218 1576 N HN 0.423 nan 8.380 nan 0.000 0.488 1577 L N 1.819 123.095 121.223 0.087 0.000 2.333 1577 L HA 0.626 4.966 4.340 -0.000 0.000 0.269 1577 L C 0.264 177.167 176.870 0.054 0.000 1.010 1577 L CA -0.906 53.958 54.840 0.040 0.000 0.818 1577 L CB 1.850 43.893 42.059 -0.026 0.000 1.306 1577 L HN 0.456 nan 8.230 nan 0.000 0.430 1578 R N 1.517 122.043 120.500 0.044 0.000 2.808 1578 R HA 0.678 5.018 4.340 -0.000 0.000 0.272 1578 R C -1.272 175.065 176.300 0.061 0.000 0.995 1578 R CA -0.915 55.216 56.100 0.052 0.000 0.917 1578 R CB 1.593 31.915 30.300 0.036 0.000 1.217 1578 R HN 0.420 nan 8.270 nan 0.000 0.471 1579 I N 2.062 122.673 120.570 0.069 0.000 2.471 1579 I HA 0.119 4.288 4.170 -0.000 0.000 0.286 1579 I C 0.682 176.836 176.117 0.061 0.000 1.079 1579 I CA -0.262 61.084 61.300 0.077 0.000 1.398 1579 I CB 0.848 38.885 38.000 0.061 0.000 1.403 1579 I HN 0.538 nan 8.210 nan 0.000 0.530 1580 K N 6.762 127.215 120.400 0.088 0.000 2.355 1580 K HA 0.246 4.566 4.320 -0.000 0.000 0.270 1580 K C -0.353 176.263 176.600 0.026 0.000 1.003 1580 K CA -0.231 56.097 56.287 0.068 0.000 0.957 1580 K CB 0.639 33.208 32.500 0.115 0.000 0.939 1580 K HN 0.537 nan 8.250 nan 0.000 0.482 1581 R N 2.149 122.652 120.500 0.005 0.000 2.604 1581 R HA 0.122 4.462 4.340 -0.000 0.000 0.287 1581 R C -0.327 175.957 176.300 -0.026 0.000 0.970 1581 R CA -0.923 55.168 56.100 -0.015 0.000 0.946 1581 R CB 1.020 31.314 30.300 -0.010 0.000 1.127 1581 R HN 0.805 nan 8.270 nan 0.000 0.473 1582 D N 0.316 120.699 120.400 -0.029 0.000 2.398 1582 D HA -0.061 4.579 4.640 -0.000 0.000 0.264 1582 D C 0.844 177.131 176.300 -0.021 0.000 1.263 1582 D CA -0.352 53.629 54.000 -0.032 0.000 1.037 1582 D CB 0.197 40.993 40.800 -0.007 0.000 1.101 1582 D HN 0.403 nan 8.370 nan 0.000 0.551 1583 S N -1.777 113.911 115.700 -0.021 0.000 2.481 1583 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 1583 S C 1.328 175.922 174.600 -0.010 0.000 0.996 1583 S CA 0.435 58.626 58.200 -0.016 0.000 0.942 1583 S CB -0.394 62.796 63.200 -0.017 0.000 0.768 1583 S HN 0.477 nan 8.310 nan 0.000 0.520 1584 Q N 0.619 120.415 119.800 -0.007 0.000 2.360 1584 Q HA 0.256 4.596 4.340 -0.000 0.000 0.202 1584 Q C 1.387 177.384 176.000 -0.005 0.000 0.915 1584 Q CA 0.646 56.446 55.803 -0.004 0.000 0.943 1584 Q CB 0.223 28.961 28.738 0.001 0.000 1.064 1584 Q HN 0.795 nan 8.270 nan 0.000 0.511 1585 G N 1.461 110.256 108.800 -0.008 0.000 2.141 1585 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.231 1585 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.231 1585 G C -0.237 174.656 174.900 -0.013 0.000 0.984 1585 G CA -0.091 45.004 45.100 -0.009 0.000 0.660 1585 G HN 0.348 nan 8.290 nan 0.000 0.525 1586 E N 0.082 120.274 120.200 -0.014 0.000 2.266 1586 E HA 0.521 4.871 4.350 -0.000 0.000 0.277 1586 E C 0.812 177.383 176.600 -0.047 0.000 1.018 1586 E CA -0.800 55.585 56.400 -0.025 0.000 0.840 1586 E CB 1.265 30.955 29.700 -0.016 0.000 1.082 1586 E HN 0.308 nan 8.360 nan 0.000 0.395 1587 L N 2.993 124.177 121.223 -0.064 0.000 2.525 1587 L HA -0.021 4.319 4.340 -0.000 0.000 0.278 1587 L C 0.649 177.409 176.870 -0.183 0.000 1.218 1587 L CA 0.615 55.403 54.840 -0.086 0.000 0.878 1587 L CB 0.022 42.035 42.059 -0.075 0.000 1.127 1587 L HN 0.522 nan 8.230 nan 0.000 0.492 1588 M N 4.637 124.141 119.600 -0.161 0.000 3.213 1588 M HA 0.213 4.693 4.480 -0.000 0.000 0.275 1588 M C -1.006 175.073 176.300 -0.368 0.000 1.424 1588 M CA -0.051 55.063 55.300 -0.309 0.000 1.561 1588 M CB 0.037 32.596 32.600 -0.069 0.000 1.109 1588 M HN 0.261 nan 8.290 nan 0.000 0.552 1589 V N 2.537 122.040 119.914 -0.684 0.000 2.443 1589 V HA 0.479 4.598 4.120 -0.000 0.000 0.293 1589 V C -0.970 174.748 176.094 -0.626 0.000 1.021 1589 V CA -0.698 61.338 62.300 -0.440 0.000 0.848 1589 V CB 1.148 32.828 31.823 -0.239 0.000 0.998 1589 V HN 0.472 nan 8.190 nan 0.000 0.424 1590 Y N 5.091 125.425 120.300 0.056 0.000 2.570 1590 Y HA 0.632 5.181 4.550 -0.001 0.000 0.345 1590 Y C -2.302 173.571 175.900 -0.046 0.000 1.014 1590 Y CA -3.131 54.985 58.100 0.027 0.000 1.063 1590 Y CB 1.789 40.298 38.460 0.083 0.000 1.272 1590 Y HN 0.383 nan 8.280 nan 0.000 0.477 1591 P HA -0.021 nan 4.420 nan 0.000 0.269 1591 P C -1.257 175.892 177.300 -0.251 0.000 1.209 1591 P CA 0.396 63.283 63.100 -0.355 0.000 0.776 1591 P CB 0.712 32.063 31.700 -0.582 0.000 0.876 1592 Y N 2.336 122.321 120.300 -0.525 0.000 2.400 1592 Y HA 0.321 4.871 4.550 -0.000 0.000 0.335 1592 Y C -1.108 174.644 175.900 -0.247 0.000 1.066 1592 Y CA -0.699 57.230 58.100 -0.285 0.000 1.285 1592 Y CB 0.640 39.022 38.460 -0.130 0.000 1.103 1592 Y HN 0.194 nan 8.280 nan 0.000 0.490 1593 Y N 3.791 124.002 120.300 -0.148 0.000 2.907 1593 Y HA 0.528 5.077 4.550 -0.000 0.000 0.332 1593 Y C 0.822 176.642 175.900 -0.134 0.000 1.211 1593 Y CA -0.908 57.142 58.100 -0.083 0.000 1.387 1593 Y CB 0.566 38.990 38.460 -0.060 0.000 1.396 1593 Y HN 0.647 nan 8.280 nan 0.000 0.519 1618 V N 0.402 120.362 119.914 0.076 0.000 3.419 1618 V HA -0.075 4.045 4.120 -0.000 0.000 0.488 1618 V C 0.474 176.647 176.094 0.132 0.000 0.682 1618 V CA 0.467 62.819 62.300 0.087 0.000 2.031 1618 V CB -0.998 30.868 31.823 0.071 0.000 2.473 1618 V HN 1.273 nan 8.190 nan 0.000 0.503 1619 A N 4.357 127.272 122.820 0.158 0.000 2.520 1619 A HA 0.726 5.046 4.320 -0.000 0.000 0.245 1619 A C 0.856 178.529 177.584 0.148 0.000 1.072 1619 A CA 0.960 53.145 52.037 0.246 0.000 0.761 1619 A CB 0.605 19.779 19.000 0.291 0.000 1.004 1619 A HN 2.265 nan 8.150 nan 0.000 0.499 1620 G N 0.363 109.231 108.800 0.113 0.000 3.176 1620 G HA2 0.638 4.598 3.960 -0.000 0.000 0.272 1620 G HA3 0.638 4.598 3.960 -0.000 0.000 0.272 1620 G C -0.726 174.159 174.900 -0.025 0.000 1.349 1620 G CA -0.323 44.807 45.100 0.049 0.000 0.953 1620 G HN 0.861 nan 8.290 nan 0.000 0.559 1621 S N -0.833 114.841 115.700 -0.045 0.000 2.548 1621 S HA 0.556 5.026 4.470 -0.000 0.000 0.286 1621 S C -0.863 173.696 174.600 -0.068 0.000 1.098 1621 S CA -0.669 57.489 58.200 -0.070 0.000 0.930 1621 S CB 2.063 65.184 63.200 -0.132 0.000 1.070 1621 S HN 0.575 nan 8.310 nan 0.000 0.480 1622 K N 2.141 122.545 120.400 0.008 0.000 2.265 1622 K HA 0.640 4.959 4.320 -0.000 0.000 0.267 1622 K C -1.477 175.151 176.600 0.047 0.000 0.994 1622 K CA -0.428 55.848 56.287 -0.019 0.000 0.860 1622 K CB 1.253 33.818 32.500 0.109 0.000 1.099 1622 K HN 0.435 nan 8.250 nan 0.000 0.448 1623 V N 6.044 125.914 119.914 -0.073 0.000 2.604 1623 V HA 0.543 4.663 4.120 -0.000 0.000 0.305 1623 V C -1.522 174.546 176.094 -0.042 0.000 1.043 1623 V CA -0.743 61.572 62.300 0.024 0.000 0.888 1623 V CB 1.170 32.978 31.823 -0.025 0.000 0.995 1623 V HN 0.683 nan 8.190 nan 0.000 0.429 1624 F N 6.606 126.579 119.950 0.039 0.000 2.415 1624 F HA 0.658 5.185 4.527 0.000 0.000 0.348 1624 F C 0.077 175.897 175.800 0.033 0.000 1.119 1624 F CA -0.555 57.473 58.000 0.046 0.000 1.069 1624 F CB 1.516 40.560 39.000 0.073 0.000 1.124 1624 F HN 0.203 nan 8.300 nan 0.000 0.472 1625 L N 3.076 124.383 121.223 0.141 0.000 2.354 1625 L HA 0.559 4.899 4.340 -0.000 0.000 0.269 1625 L C -0.691 176.218 176.870 0.064 0.000 1.005 1625 L CA -0.848 54.043 54.840 0.086 0.000 0.819 1625 L CB 2.411 44.487 42.059 0.029 0.000 1.311 1625 L HN 0.572 nan 8.230 nan 0.000 0.423 1626 E N 1.953 122.185 120.200 0.053 0.000 2.227 1626 E HA 0.546 4.896 4.350 -0.000 0.000 0.268 1626 E C -1.148 175.470 176.600 0.030 0.000 0.907 1626 E CA -0.760 55.665 56.400 0.042 0.000 0.786 1626 E CB 3.069 32.797 29.700 0.046 0.000 1.191 1626 E HN 0.390 nan 8.360 nan 0.000 0.411 1627 I N 1.988 122.577 120.570 0.032 0.000 2.342 1627 I HA 0.117 4.287 4.170 -0.000 0.000 0.291 1627 I C -0.371 175.774 176.117 0.047 0.000 1.010 1627 I CA -0.284 61.045 61.300 0.048 0.000 1.308 1627 I CB 0.830 38.876 38.000 0.077 0.000 1.400 1627 I HN 0.349 nan 8.210 nan 0.000 0.488 1628 D N 5.753 126.174 120.400 0.036 0.000 2.414 1628 D HA 0.208 4.848 4.640 -0.000 0.000 0.232 1628 D C -0.045 176.245 176.300 -0.017 0.000 1.070 1628 D CA -0.310 53.695 54.000 0.008 0.000 0.839 1628 D CB 0.732 41.528 40.800 -0.006 0.000 1.079 1628 D HN 0.447 nan 8.370 nan 0.000 0.521 1629 N N 2.220 120.904 118.700 -0.025 0.000 2.295 1629 N HA 0.027 4.767 4.740 -0.000 0.000 0.221 1629 N C 1.679 177.104 175.510 -0.141 0.000 1.129 1629 N CA -0.236 52.771 53.050 -0.071 0.000 0.836 1629 N CB 0.502 38.980 38.487 -0.015 0.000 1.040 1629 N HN 0.400 nan 8.380 nan 0.000 0.494 1630 R N 0.139 120.555 120.500 -0.140 0.000 2.127 1630 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 1630 R C 1.824 177.982 176.300 -0.237 0.000 1.134 1630 R CA 1.356 57.365 56.100 -0.151 0.000 0.975 1630 R CB -0.088 30.143 30.300 -0.116 0.000 0.865 1630 R HN 0.156 nan 8.270 nan 0.000 0.447 1631 Q N 0.336 119.905 119.800 -0.386 0.000 2.349 1631 Q HA 0.069 4.409 4.340 -0.000 0.000 0.209 1631 Q C 1.963 177.483 176.000 -0.800 0.000 0.920 1631 Q CA 0.927 56.355 55.803 -0.626 0.000 0.901 1631 Q CB -0.286 27.921 28.738 -0.884 0.000 1.021 1631 Q HN 0.390 nan 8.270 nan 0.000 0.519 1632 c N -0.431 117.727 118.600 -0.736 0.000 2.413 1632 c HA -0.134 4.435 4.570 -0.000 0.000 0.278 1632 c C 2.519 176.448 174.090 -0.268 0.000 1.224 1632 c CA 1.661 57.677 56.329 -0.521 0.000 1.732 1632 c CB -1.134 41.237 42.510 -0.231 0.000 2.050 1632 c HN 0.543 nan 8.230 nan 0.000 0.463 1633 V N -0.084 119.712 119.914 -0.198 0.000 2.626 1633 V HA -0.156 3.963 4.120 -0.000 0.000 0.252 1633 V C 2.311 178.329 176.094 -0.126 0.000 1.067 1633 V CA 2.470 64.692 62.300 -0.130 0.000 1.081 1633 V CB -1.329 30.441 31.823 -0.088 0.000 0.686 1633 V HN 0.674 nan 8.190 nan 0.000 0.468 1634 Q N 2.694 122.398 119.800 -0.160 0.000 2.170 1634 Q HA -0.153 4.187 4.340 -0.000 0.000 0.203 1634 Q C 0.740 176.687 176.000 -0.088 0.000 0.976 1634 Q CA 2.059 57.787 55.803 -0.124 0.000 0.858 1634 Q CB -0.184 28.462 28.738 -0.153 0.000 0.907 1634 Q HN 1.017 nan 8.270 nan 0.000 0.433 1635 D N -1.464 118.882 120.400 -0.090 0.000 3.078 1635 D HA 0.245 4.884 4.640 -0.000 0.000 0.363 1635 D C -1.099 175.202 176.300 0.001 0.000 1.391 1635 D CA -0.080 53.913 54.000 -0.011 0.000 0.754 1635 D CB -0.092 40.750 40.800 0.070 0.000 1.238 1635 D HN 0.106 nan 8.370 nan 0.000 0.500 1636 S N -1.449 114.193 115.700 -0.096 0.000 2.552 1636 S HA 0.411 4.880 4.470 -0.000 0.000 0.272 1636 S C -0.698 173.725 174.600 -0.295 0.000 1.150 1636 S CA -0.842 57.216 58.200 -0.237 0.000 0.849 1636 S CB 2.034 65.088 63.200 -0.244 0.000 1.113 1636 S HN -0.144 nan 8.310 nan 0.000 0.458 1637 D N 0.314 120.455 120.400 -0.431 0.000 2.360 1637 D HA 0.084 4.724 4.640 -0.000 0.000 0.210 1637 D C 0.303 176.424 176.300 -0.298 0.000 1.047 1637 D CA 0.294 54.134 54.000 -0.267 0.000 0.854 1637 D CB 0.085 40.793 40.800 -0.153 0.000 0.936 1637 D HN 0.720 nan 8.370 nan 0.000 0.514 1638 H N -0.720 118.170 119.070 -0.300 0.000 2.572 1638 H HA 0.475 5.031 4.556 -0.000 0.000 0.248 1638 H C -0.764 174.237 175.328 -0.545 0.000 1.397 1638 H CA -0.718 54.851 56.048 -0.799 0.000 1.319 1638 H CB -0.850 28.161 29.762 -1.253 0.000 1.452 1638 H HN -0.053 nan 8.280 nan 0.000 0.535 1639 c N 2.891 121.361 118.600 -0.216 0.000 2.563 1639 c HA 0.366 4.936 4.570 -0.000 0.000 0.314 1639 c C 0.117 174.223 174.090 0.027 0.000 1.199 1639 c CA -0.867 55.425 56.329 -0.061 0.000 1.564 1639 c CB 0.357 42.869 42.510 0.003 0.000 2.173 1639 c HN 0.647 nan 8.230 nan 0.000 0.485 1640 F N 1.325 121.439 119.950 0.272 0.000 2.504 1640 F HA 0.385 4.911 4.527 -0.000 0.000 0.369 1640 F C 1.480 177.365 175.800 0.141 0.000 1.082 1640 F CA 0.334 58.477 58.000 0.239 0.000 1.216 1640 F CB 0.382 39.505 39.000 0.204 0.000 1.108 1640 F HN 0.879 nan 8.300 nan 0.000 0.554 1641 K N 2.818 123.381 120.400 0.272 0.000 2.167 1641 K HA -0.014 4.306 4.320 -0.000 0.000 0.203 1641 K C 0.343 177.035 176.600 0.154 0.000 1.052 1641 K CA 1.668 58.056 56.287 0.168 0.000 0.956 1641 K CB -0.940 31.632 32.500 0.121 0.000 0.735 1641 K HN 0.868 nan 8.250 nan 0.000 0.451 1642 N N -2.837 115.973 118.700 0.183 0.000 2.525 1642 N HA 0.160 4.899 4.740 -0.000 0.000 0.270 1642 N C 0.412 175.979 175.510 0.094 0.000 1.321 1642 N CA 0.042 53.163 53.050 0.117 0.000 0.797 1642 N CB 1.261 39.794 38.487 0.076 0.000 1.529 1642 N HN -0.037 nan 8.380 nan 0.000 0.491 1643 T N -3.791 110.772 114.554 0.015 0.000 3.113 1643 T HA -0.020 4.330 4.350 -0.000 0.000 0.263 1643 T C 0.411 175.040 174.700 -0.117 0.000 1.143 1643 T CA 0.805 62.857 62.100 -0.081 0.000 1.090 1643 T CB -0.448 68.382 68.868 -0.064 0.000 0.922 1643 T HN 0.409 nan 8.240 nan 0.000 0.521 1644 D N 2.600 122.971 120.400 -0.050 0.000 2.087 1644 D HA -0.034 4.606 4.640 -0.000 0.000 0.192 1644 D C 2.410 178.654 176.300 -0.092 0.000 0.993 1644 D CA 1.774 55.740 54.000 -0.056 0.000 0.828 1644 D CB -0.739 40.052 40.800 -0.014 0.000 0.968 1644 D HN 0.570 nan 8.370 nan 0.000 0.448 1645 A N 0.532 123.330 122.820 -0.037 0.000 1.969 1645 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 1645 A C 2.226 179.697 177.584 -0.189 0.000 1.169 1645 A CA 1.876 53.911 52.037 -0.004 0.000 0.635 1645 A CB -0.596 18.549 19.000 0.241 0.000 0.810 1645 A HN 0.227 nan 8.150 nan 0.000 0.445 1646 A N 0.091 122.527 122.820 -0.640 0.000 1.902 1646 A HA 0.174 4.493 4.320 -0.000 0.000 0.217 1646 A C 2.500 179.843 177.584 -0.402 0.000 1.181 1646 A CA 1.955 53.429 52.037 -0.938 0.000 0.623 1646 A CB -1.010 17.335 19.000 -1.092 0.000 0.818 1646 A HN 0.996 nan 8.150 nan 0.000 0.443 1647 A N 0.024 122.671 122.820 -0.288 0.000 1.883 1647 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 1647 A C 2.534 180.001 177.584 -0.196 0.000 1.186 1647 A CA 2.331 54.246 52.037 -0.203 0.000 0.624 1647 A CB -1.141 17.763 19.000 -0.161 0.000 0.822 1647 A HN 1.122 nan 8.150 nan 0.000 0.444 1648 A N -0.679 122.013 122.820 -0.214 0.000 1.908 1648 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 1648 A C 2.146 179.553 177.584 -0.295 0.000 1.181 1648 A CA 1.843 53.711 52.037 -0.283 0.000 0.627 1648 A CB -0.628 18.181 19.000 -0.318 0.000 0.818 1648 A HN 0.692 nan 8.150 nan 0.000 0.445 1649 L N -0.238 120.886 121.223 -0.164 0.000 2.046 1649 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 1649 L C 2.303 179.215 176.870 0.069 0.000 1.077 1649 L CA 1.587 56.432 54.840 0.009 0.000 0.747 1649 L CB -0.501 41.681 42.059 0.205 0.000 0.896 1649 L HN 0.418 nan 8.230 nan 0.000 0.432 1650 L N -0.739 120.454 121.223 -0.051 0.000 2.042 1650 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 1650 L C 2.668 179.515 176.870 -0.038 0.000 1.076 1650 L CA 1.304 56.110 54.840 -0.058 0.000 0.749 1650 L CB -0.978 41.011 42.059 -0.117 0.000 0.893 1650 L HN 0.393 nan 8.230 nan 0.000 0.432 1651 A N -0.923 121.827 122.820 -0.118 0.000 1.902 1651 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 1651 A C 2.543 180.006 177.584 -0.202 0.000 1.181 1651 A CA 2.102 54.038 52.037 -0.168 0.000 0.623 1651 A CB -0.761 18.099 19.000 -0.234 0.000 0.818 1651 A HN 0.379 nan 8.150 nan 0.000 0.443 1652 S N -1.248 114.316 115.700 -0.227 0.000 2.370 1652 S HA -0.228 4.242 4.470 -0.000 0.000 0.226 1652 S C 1.969 176.547 174.600 -0.037 0.000 1.033 1652 S CA 1.522 59.625 58.200 -0.161 0.000 1.011 1652 S CB -0.640 62.485 63.200 -0.125 0.000 0.852 1652 S HN 0.732 nan 8.310 nan 0.000 0.457 1653 H N 0.283 119.332 119.070 -0.034 0.000 2.423 1653 H HA 0.052 4.608 4.556 -0.000 0.000 0.297 1653 H C 2.432 177.754 175.328 -0.008 0.000 1.075 1653 H CA 1.145 57.198 56.048 0.009 0.000 1.342 1653 H CB -0.291 29.484 29.762 0.021 0.000 1.395 1653 H HN 0.555 nan 8.280 nan 0.000 0.530 1654 A N 1.130 123.990 122.820 0.066 0.000 1.930 1654 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 1654 A C 2.535 180.113 177.584 -0.009 0.000 1.175 1654 A CA 0.900 52.948 52.037 0.019 0.000 0.627 1654 A CB -0.650 18.342 19.000 -0.013 0.000 0.815 1654 A HN 0.244 nan 8.150 nan 0.000 0.443 1655 I N -0.487 120.039 120.570 -0.073 0.000 2.127 1655 I HA -0.352 3.818 4.170 -0.000 0.000 0.241 1655 I C 2.801 178.923 176.117 0.007 0.000 1.075 1655 I CA 1.855 63.103 61.300 -0.087 0.000 1.334 1655 I CB -0.435 37.390 38.000 -0.291 0.000 1.040 1655 I HN 0.417 nan 8.210 nan 0.000 0.405 1656 Q N 0.421 120.223 119.800 0.004 0.000 2.119 1656 Q HA -0.021 4.319 4.340 -0.000 0.000 0.201 1656 Q C 1.390 177.409 176.000 0.033 0.000 0.972 1656 Q CA 1.201 57.016 55.803 0.020 0.000 0.847 1656 Q CB -0.041 28.680 28.738 -0.027 0.000 0.903 1656 Q HN 0.669 nan 8.270 nan 0.000 0.433 1657 G N 0.545 109.368 108.800 0.038 0.000 2.167 1657 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.194 1657 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.194 1657 G C 0.398 175.333 174.900 0.058 0.000 1.027 1657 G CA 0.303 45.431 45.100 0.047 0.000 0.717 1657 G HN 0.378 nan 8.290 nan 0.000 0.501 1658 T N -1.967 112.639 114.554 0.088 0.000 3.186 1658 T HA 0.589 4.939 4.350 -0.000 0.000 0.257 1658 T C 0.572 175.357 174.700 0.142 0.000 1.029 1658 T CA -0.345 61.830 62.100 0.124 0.000 0.916 1658 T CB 0.693 69.664 68.868 0.172 0.000 1.041 1658 T HN 0.229 nan 8.240 nan 0.000 0.562 1659 L N 3.438 124.726 121.223 0.108 0.000 2.290 1659 L HA 0.398 4.738 4.340 -0.000 0.000 0.284 1659 L C 1.509 178.417 176.870 0.063 0.000 1.078 1659 L CA -0.058 54.835 54.840 0.089 0.000 0.815 1659 L CB 1.247 43.357 42.059 0.086 0.000 1.162 1659 L HN 0.377 nan 8.230 nan 0.000 0.435 1660 S N 2.236 117.974 115.700 0.064 0.000 2.501 1660 S HA 0.105 4.575 4.470 -0.000 0.000 0.220 1660 S C 0.378 174.899 174.600 -0.132 0.000 0.997 1660 S CA 0.078 58.262 58.200 -0.026 0.000 0.919 1660 S CB -0.141 63.033 63.200 -0.043 0.000 0.778 1660 S HN 0.369 nan 8.310 nan 0.000 0.523 1661 Y N 2.501 122.824 120.300 0.039 0.000 2.387 1661 Y HA 0.491 5.041 4.550 -0.000 0.000 0.336 1661 Y C -2.394 173.545 175.900 0.065 0.000 1.067 1661 Y CA -2.446 55.704 58.100 0.083 0.000 1.114 1661 Y CB 1.335 39.912 38.460 0.195 0.000 1.208 1661 Y HN 0.020 nan 8.280 nan 0.000 0.458 1662 P HA 0.103 nan 4.420 nan 0.000 0.230 1662 P C -0.838 176.525 177.300 0.105 0.000 1.791 1662 P CA 0.248 63.412 63.100 0.106 0.000 1.020 1662 P CB -0.440 31.299 31.700 0.065 0.000 1.977 1663 L N 1.371 122.661 121.223 0.112 0.000 2.416 1663 L HA 0.110 4.450 4.340 -0.000 0.000 0.272 1663 L C 1.771 178.649 176.870 0.014 0.000 1.161 1663 L CA -0.416 54.462 54.840 0.062 0.000 0.845 1663 L CB 0.884 42.977 42.059 0.057 0.000 1.119 1663 L HN 0.012 nan 8.230 nan 0.000 0.464 1664 V N 0.616 120.513 119.914 -0.028 0.000 2.922 1664 V HA 0.061 4.180 4.120 -0.000 0.000 0.242 1664 V C 0.715 176.771 176.094 -0.064 0.000 1.094 1664 V CA 0.875 63.151 62.300 -0.040 0.000 1.106 1664 V CB 0.721 32.505 31.823 -0.065 0.000 0.799 1664 V HN 0.931 nan 8.190 nan 0.000 0.474 1665 S N -1.101 114.537 115.700 -0.104 0.000 2.570 1665 S HA 0.740 5.210 4.470 -0.000 0.000 0.270 1665 S C -1.449 173.076 174.600 -0.126 0.000 1.149 1665 S CA -0.531 57.602 58.200 -0.112 0.000 0.837 1665 S CB 2.419 65.535 63.200 -0.140 0.000 1.124 1665 S HN 0.159 nan 8.310 nan 0.000 0.465 1666 V N 1.661 121.505 119.914 -0.117 0.000 2.808 1666 V HA 0.870 4.990 4.120 -0.000 0.000 0.308 1666 V C -1.130 174.891 176.094 -0.123 0.000 1.099 1666 V CA -0.117 62.106 62.300 -0.129 0.000 0.920 1666 V CB 1.713 33.464 31.823 -0.120 0.000 1.014 1666 V HN 1.733 nan 8.190 nan 0.000 0.425 1667 V N 2.973 122.807 119.914 -0.133 0.000 2.925 1667 V HA 0.823 4.943 4.120 -0.000 0.000 0.311 1667 V C -0.451 175.582 176.094 -0.101 0.000 1.104 1667 V CA -0.388 61.848 62.300 -0.106 0.000 0.954 1667 V CB 1.927 33.695 31.823 -0.092 0.000 1.022 1667 V HN 1.011 nan 8.190 nan 0.000 0.427 1668 S N 2.517 118.170 115.700 -0.078 0.000 2.422 1668 S HA 0.446 4.916 4.470 -0.000 0.000 0.308 1668 S C -0.255 174.328 174.600 -0.029 0.000 1.097 1668 S CA -0.470 57.693 58.200 -0.061 0.000 1.099 1668 S CB 0.384 63.544 63.200 -0.066 0.000 0.976 1668 S HN 0.895 nan 8.310 nan 0.000 0.471 1669 E N 4.223 124.419 120.200 -0.006 0.000 2.046 1669 E HA 0.309 4.659 4.350 -0.000 0.000 0.279 1669 E C 1.318 177.935 176.600 0.027 0.000 0.989 1669 E CA -0.144 56.270 56.400 0.023 0.000 0.798 1669 E CB 1.002 30.741 29.700 0.065 0.000 1.086 1669 E HN 0.872 nan 8.360 nan 0.000 0.399 1670 S N 2.957 118.669 115.700 0.020 0.000 2.423 1670 S HA -0.210 4.260 4.470 -0.000 0.000 0.238 1670 S C 1.550 176.167 174.600 0.028 0.000 1.028 1670 S CA 2.422 60.634 58.200 0.021 0.000 1.000 1670 S CB -0.468 62.743 63.200 0.018 0.000 0.797 1670 S HN 0.356 nan 8.310 nan 0.000 0.487 1671 L N -2.051 119.192 121.223 0.034 0.000 3.794 1671 L HA 0.788 5.128 4.340 -0.000 0.000 0.185 1671 L C 1.699 178.598 176.870 0.048 0.000 1.179 1671 L CA 0.960 55.821 54.840 0.035 0.000 0.903 1671 L CB -1.446 40.630 42.059 0.027 0.000 1.582 1671 L HN 1.559 nan 8.230 nan 0.000 0.677 1672 T N 0.000 114.584 114.554 0.050 0.000 3.816 1672 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1672 T CA 0.000 62.135 62.100 0.059 0.000 1.349 1672 T CB 0.000 68.939 68.868 0.118 0.000 0.612 1672 T HN 0.000 nan 8.240 nan 0.000 0.658