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 2qki_1_F DATA FIRST_RESID 1335 DATA SEQUENCE TcNKFDLKVT IKPAPXXXXX XXXXKNTMIL EIcTRYRGDQ DATMSILDIS DATA SEQUENCE MMTGFAPDTD DLKQLANGVD RYISKYELDK AFSDRNTLII YLDKVSHSED DATA SEQUENCE DcLAFKVHQY FNVELIQPGA VKVYAYYNLE EScTRFYHPE KEDGKLNKLc DATA SEQUENCE RDELcRCAEE NcFIQKSDXX VTLEERLDKA cEPGVDYVYK TRLVKVQLSN DATA SEQUENCE DFDEYIMAIE QTIKSGSDEV QVGQQRTFIS PIKcREALKL EEKKHYLMWG DATA SEQUENCE LSSDFWGEKP NLSYIIGKDT WVEHWPEEDE cQDEENQKQc QDLGAFTESM DATA SEQUENCE VVFGcP 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 1335 T HA 0.000 nan 4.350 nan 0.000 0.228 1335 T C 0.000 174.733 174.700 0.055 0.000 1.109 1335 T CA 0.000 62.126 62.100 0.044 0.000 1.349 1335 T CB 0.000 68.889 68.868 0.035 0.000 0.612 1336 c N 5.411 124.045 118.600 0.056 0.000 3.498 1336 c HA 0.351 4.922 4.570 0.001 0.000 0.218 1336 c C 1.345 175.471 174.090 0.061 0.000 1.284 1336 c CA -0.964 55.411 56.329 0.077 0.000 1.343 1336 c CB -0.786 41.776 42.510 0.085 0.000 1.825 1336 c HN 0.906 nan 8.230 nan 0.000 0.518 1337 N N 0.171 118.897 118.700 0.042 0.000 2.280 1337 N HA 0.022 4.763 4.740 0.001 0.000 0.192 1337 N C 1.121 176.593 175.510 -0.064 0.000 1.109 1337 N CA -0.011 53.036 53.050 -0.005 0.000 0.855 1337 N CB 0.534 39.017 38.487 -0.007 0.000 0.974 1337 N HN 0.447 nan 8.380 nan 0.000 0.482 1338 K N 0.220 120.600 120.400 -0.034 0.000 2.365 1338 K HA 0.247 4.567 4.320 0.001 0.000 0.195 1338 K C -0.317 176.020 176.600 -0.437 0.000 1.079 1338 K CA 0.331 56.489 56.287 -0.214 0.000 0.979 1338 K CB 0.613 33.100 32.500 -0.021 0.000 0.929 1338 K HN 0.047 nan 8.250 nan 0.000 0.523 1339 F N 0.767 120.729 119.950 0.020 0.000 2.588 1339 F HA 0.281 4.808 4.527 0.000 0.000 0.310 1339 F C -0.282 175.537 175.800 0.031 0.000 1.082 1339 F CA -1.072 56.964 58.000 0.060 0.000 0.929 1339 F CB 1.936 41.002 39.000 0.110 0.000 1.254 1339 F HN -0.255 nan 8.300 nan 0.000 0.455 1340 D N 3.263 123.804 120.400 0.235 0.000 2.412 1340 D HA 0.291 4.932 4.640 0.001 0.000 0.224 1340 D C -1.197 175.191 176.300 0.147 0.000 1.093 1340 D CA -0.188 53.899 54.000 0.146 0.000 0.850 1340 D CB 1.900 42.753 40.800 0.088 0.000 1.046 1340 D HN 0.216 nan 8.370 nan 0.000 0.507 1341 L N 3.035 124.323 121.223 0.108 0.000 2.305 1341 L HA 0.362 4.703 4.340 0.001 0.000 0.284 1341 L C -0.830 176.060 176.870 0.035 0.000 1.013 1341 L CA -0.360 54.515 54.840 0.058 0.000 0.819 1341 L CB 1.014 43.087 42.059 0.023 0.000 1.227 1341 L HN 0.066 nan 8.230 nan 0.000 0.417 1342 K N 4.723 125.133 120.400 0.018 0.000 2.463 1342 K HA 0.694 5.014 4.320 0.001 0.000 0.255 1342 K C -1.534 175.052 176.600 -0.022 0.000 0.942 1342 K CA -0.670 55.621 56.287 0.007 0.000 0.814 1342 K CB 2.375 34.880 32.500 0.008 0.000 1.122 1342 K HN 0.350 nan 8.250 nan 0.000 0.425 1343 V N 2.184 122.085 119.914 -0.021 0.000 2.487 1343 V HA 0.478 4.599 4.120 0.001 0.000 0.298 1343 V C -0.189 175.863 176.094 -0.071 0.000 1.028 1343 V CA -0.738 61.520 62.300 -0.069 0.000 0.860 1343 V CB 1.753 33.552 31.823 -0.041 0.000 0.991 1343 V HN 0.952 nan 8.190 nan 0.000 0.427 1344 T N 2.263 116.729 114.554 -0.146 0.000 2.893 1344 T HA 0.830 5.180 4.350 0.001 0.000 0.291 1344 T C -1.018 173.542 174.700 -0.233 0.000 1.028 1344 T CA -0.687 61.334 62.100 -0.131 0.000 0.995 1344 T CB 2.056 70.865 68.868 -0.099 0.000 1.051 1344 T HN 0.461 nan 8.240 nan 0.000 0.470 1345 I N 1.277 121.744 120.570 -0.172 0.000 2.447 1345 I HA 0.637 4.808 4.170 0.001 0.000 0.287 1345 I C -0.989 175.039 176.117 -0.147 0.000 1.023 1345 I CA -0.508 60.662 61.300 -0.217 0.000 1.083 1345 I CB 1.371 39.266 38.000 -0.176 0.000 1.245 1345 I HN 0.760 nan 8.210 nan 0.000 0.434 1346 K N 7.468 127.778 120.400 -0.150 0.000 2.464 1346 K HA 0.591 4.911 4.320 0.001 0.000 0.253 1346 K C -2.669 173.880 176.600 -0.086 0.000 0.933 1346 K CA -1.817 54.410 56.287 -0.101 0.000 0.801 1346 K CB 1.966 34.415 32.500 -0.085 0.000 1.271 1346 K HN 0.237 nan 8.250 nan 0.000 0.430 1347 P HA -0.055 nan 4.420 nan 0.000 0.264 1347 P C -0.996 176.291 177.300 -0.020 0.000 1.193 1347 P CA 0.099 63.184 63.100 -0.026 0.000 0.763 1347 P CB 0.601 32.293 31.700 -0.013 0.000 0.810 1348 A N 5.925 128.743 122.820 -0.004 0.000 2.366 1348 A HA 0.478 4.799 4.320 0.001 0.000 0.249 1348 A C -1.369 176.224 177.584 0.014 0.000 1.084 1348 A CA -0.747 51.293 52.037 0.004 0.000 0.794 1348 A CB -1.156 17.859 19.000 0.024 0.000 1.034 1348 A HN 0.474 nan 8.150 nan 0.000 0.491 1360 N N 0.922 119.637 118.700 0.025 0.000 2.530 1360 N HA 0.418 5.159 4.740 0.001 0.000 0.277 1360 N C -0.980 174.650 175.510 0.200 0.000 1.168 1360 N CA 0.191 53.294 53.050 0.090 0.000 0.979 1360 N CB 1.358 39.896 38.487 0.085 0.000 1.141 1360 N HN 0.674 nan 8.380 nan 0.000 0.459 1361 T N 2.700 117.386 114.554 0.221 0.000 2.893 1361 T HA 0.557 4.908 4.350 0.001 0.000 0.293 1361 T C -0.245 174.540 174.700 0.141 0.000 1.027 1361 T CA -0.575 61.668 62.100 0.239 0.000 0.988 1361 T CB 1.412 70.442 68.868 0.271 0.000 1.043 1361 T HN 0.382 nan 8.240 nan 0.000 0.461 1362 M N 2.119 121.766 119.600 0.078 0.000 2.631 1362 M HA 0.604 5.085 4.480 0.001 0.000 0.288 1362 M C -1.306 174.926 176.300 -0.114 0.000 1.260 1362 M CA -0.979 54.301 55.300 -0.033 0.000 0.842 1362 M CB 2.295 34.832 32.600 -0.104 0.000 1.743 1362 M HN 0.394 nan 8.290 nan 0.000 0.461 1363 I N 2.123 122.600 120.570 -0.154 0.000 2.362 1363 I HA 0.350 4.521 4.170 0.001 0.000 0.289 1363 I C -1.038 174.882 176.117 -0.328 0.000 0.994 1363 I CA -0.736 60.436 61.300 -0.214 0.000 1.158 1363 I CB 1.625 39.538 38.000 -0.145 0.000 1.315 1363 I HN 0.406 nan 8.210 nan 0.000 0.451 1364 L N 7.238 128.150 121.223 -0.520 0.000 2.264 1364 L HA 0.438 4.778 4.340 0.001 0.000 0.289 1364 L C -0.283 176.236 176.870 -0.584 0.000 1.044 1364 L CA 0.334 54.771 54.840 -0.672 0.000 0.807 1364 L CB 0.785 42.264 42.059 -0.968 0.000 1.192 1364 L HN 0.581 nan 8.230 nan 0.000 0.425 1365 E N 5.522 125.481 120.200 -0.401 0.000 2.176 1365 E HA 0.470 4.820 4.350 0.001 0.000 0.267 1365 E C -1.417 175.055 176.600 -0.214 0.000 0.893 1365 E CA -0.586 55.659 56.400 -0.259 0.000 0.761 1365 E CB 1.380 30.976 29.700 -0.172 0.000 1.133 1365 E HN 0.654 nan 8.360 nan 0.000 0.409 1366 I N 4.440 124.920 120.570 -0.150 0.000 2.466 1366 I HA 0.277 4.448 4.170 0.001 0.000 0.279 1366 I C -0.815 175.272 176.117 -0.050 0.000 1.033 1366 I CA -0.681 60.557 61.300 -0.104 0.000 1.123 1366 I CB 1.262 39.206 38.000 -0.095 0.000 1.237 1366 I HN 0.433 nan 8.210 nan 0.000 0.460 1367 c N 3.705 122.284 118.600 -0.035 0.000 2.295 1367 c HA 0.676 5.246 4.570 0.001 0.000 0.331 1367 c C 0.697 174.800 174.090 0.022 0.000 1.280 1367 c CA -0.276 56.051 56.329 -0.003 0.000 1.746 1367 c CB 0.959 43.468 42.510 -0.003 0.000 2.328 1367 c HN 0.720 nan 8.230 nan 0.000 0.521 1368 T N 3.865 118.449 114.554 0.051 0.000 2.886 1368 T HA 0.578 4.928 4.350 0.001 0.000 0.292 1368 T C -0.971 173.831 174.700 0.171 0.000 1.012 1368 T CA -0.486 61.678 62.100 0.106 0.000 0.982 1368 T CB 0.761 69.674 68.868 0.073 0.000 1.018 1368 T HN 0.800 nan 8.240 nan 0.000 0.451 1369 R N 3.059 123.697 120.500 0.230 0.000 2.575 1369 R HA 0.371 4.712 4.340 0.001 0.000 0.293 1369 R C -1.724 174.748 176.300 0.288 0.000 0.983 1369 R CA -0.756 55.478 56.100 0.222 0.000 0.887 1369 R CB 1.452 31.823 30.300 0.118 0.000 1.184 1369 R HN 0.697 nan 8.270 nan 0.000 0.445 1370 Y N 3.251 123.614 120.300 0.104 0.000 2.335 1370 Y HA 0.177 4.728 4.550 0.001 0.000 0.331 1370 Y C 0.376 176.227 175.900 -0.083 0.000 1.094 1370 Y CA -0.041 57.976 58.100 -0.139 0.000 1.253 1370 Y CB 0.868 39.245 38.460 -0.138 0.000 1.203 1370 Y HN 0.500 nan 8.280 nan 0.000 0.508 1371 R N 4.513 124.562 120.500 -0.751 0.000 3.081 1371 R HA 0.243 4.583 4.340 0.001 0.000 0.280 1371 R C 0.202 176.141 176.300 -0.603 0.000 1.372 1371 R CA 0.170 55.974 56.100 -0.492 0.000 1.242 1371 R CB -0.251 29.849 30.300 -0.334 0.000 1.316 1371 R HN 0.798 nan 8.270 nan 0.000 0.585 1372 G N -0.568 107.805 108.800 -0.711 0.000 2.735 1372 G HA2 0.108 4.068 3.960 0.001 0.000 0.301 1372 G HA3 0.108 4.068 3.960 0.001 0.000 0.301 1372 G C -0.116 174.725 174.900 -0.099 0.000 1.279 1372 G CA -0.527 44.353 45.100 -0.366 0.000 1.019 1372 G HN -0.011 nan 8.290 nan 0.000 0.497 1373 D N -0.653 119.682 120.400 -0.107 0.000 2.347 1373 D HA 0.087 4.727 4.640 0.001 0.000 0.215 1373 D C 0.733 176.728 176.300 -0.509 0.000 0.976 1373 D CA 0.984 54.886 54.000 -0.163 0.000 0.884 1373 D CB 0.628 41.381 40.800 -0.078 0.000 0.915 1373 D HN 0.270 nan 8.370 nan 0.000 0.526 1374 Q N -0.158 119.367 119.800 -0.458 0.000 2.587 1374 Q HA 0.302 4.643 4.340 0.001 0.000 0.293 1374 Q C -0.937 174.932 176.000 -0.218 0.000 1.083 1374 Q CA -0.781 54.707 55.803 -0.524 0.000 0.792 1374 Q CB 1.414 30.049 28.738 -0.170 0.000 1.484 1374 Q HN -0.228 nan 8.270 nan 0.000 0.446 1375 D N 0.397 120.786 120.400 -0.018 0.000 2.378 1375 D HA 0.366 5.007 4.640 0.001 0.000 0.238 1375 D C -0.697 175.546 176.300 -0.095 0.000 1.180 1375 D CA 0.274 54.338 54.000 0.106 0.000 0.895 1375 D CB 0.555 41.421 40.800 0.109 0.000 1.192 1375 D HN 0.539 nan 8.370 nan 0.000 0.438 1376 A N 0.626 123.274 122.820 -0.286 0.000 2.293 1376 A HA 0.538 4.859 4.320 0.001 0.000 0.302 1376 A C 0.853 178.363 177.584 -0.122 0.000 1.119 1376 A CA -0.368 51.368 52.037 -0.501 0.000 0.823 1376 A CB 0.503 18.999 19.000 -0.840 0.000 1.097 1376 A HN 0.604 nan 8.150 nan 0.000 0.491 1377 T N -0.143 114.404 114.554 -0.012 0.000 3.560 1377 T HA 0.408 4.759 4.350 0.001 0.000 0.350 1377 T C 0.745 175.514 174.700 0.115 0.000 1.264 1377 T CA -0.357 61.788 62.100 0.075 0.000 0.924 1377 T CB -0.189 68.753 68.868 0.124 0.000 1.997 1377 T HN 0.507 nan 8.240 nan 0.000 0.553 1378 M N 1.974 121.662 119.600 0.145 0.000 2.327 1378 M HA 0.191 4.671 4.480 0.001 0.000 0.353 1378 M C -0.271 176.130 176.300 0.168 0.000 1.539 1378 M CA 0.301 55.675 55.300 0.122 0.000 1.039 1378 M CB -0.072 32.544 32.600 0.026 0.000 1.967 1378 M HN 0.572 nan 8.290 nan 0.000 0.459 1379 S N 3.362 119.122 115.700 0.100 0.000 2.671 1379 S HA 0.805 5.276 4.470 0.001 0.000 0.299 1379 S C -0.775 173.771 174.600 -0.090 0.000 1.116 1379 S CA -0.775 57.424 58.200 -0.000 0.000 0.912 1379 S CB 1.802 65.002 63.200 -0.001 0.000 1.130 1379 S HN 0.505 nan 8.310 nan 0.000 0.501 1380 I N 1.349 121.687 120.570 -0.387 0.000 2.466 1380 I HA 0.405 4.575 4.170 0.001 0.000 0.289 1380 I C -1.114 174.662 176.117 -0.569 0.000 1.026 1380 I CA -0.135 60.835 61.300 -0.550 0.000 1.078 1380 I CB 1.503 38.984 38.000 -0.865 0.000 1.249 1380 I HN 0.375 nan 8.210 nan 0.000 0.429 1381 L N 5.308 126.286 121.223 -0.408 0.000 2.276 1381 L HA 0.412 4.753 4.340 0.001 0.000 0.286 1381 L C -0.839 175.884 176.870 -0.246 0.000 1.024 1381 L CA -0.429 54.238 54.840 -0.289 0.000 0.826 1381 L CB 1.078 43.025 42.059 -0.188 0.000 1.211 1381 L HN 0.518 nan 8.230 nan 0.000 0.422 1382 D N 5.228 125.528 120.400 -0.167 0.000 2.329 1382 D HA 0.452 5.093 4.640 0.001 0.000 0.232 1382 D C -0.647 175.633 176.300 -0.032 0.000 1.088 1382 D CA -0.115 53.836 54.000 -0.082 0.000 0.835 1382 D CB 0.977 41.789 40.800 0.020 0.000 1.078 1382 D HN 0.243 nan 8.370 nan 0.000 0.495 1383 I N 2.607 123.172 120.570 -0.007 0.000 2.436 1383 I HA 0.258 4.428 4.170 0.001 0.000 0.289 1383 I C 0.164 176.332 176.117 0.084 0.000 1.010 1383 I CA -0.774 60.564 61.300 0.063 0.000 1.098 1383 I CB 1.836 39.907 38.000 0.117 0.000 1.266 1383 I HN 0.277 nan 8.210 nan 0.000 0.434 1384 S N 6.451 122.211 115.700 0.099 0.000 2.578 1384 S HA 0.688 5.159 4.470 0.001 0.000 0.301 1384 S C -0.396 174.292 174.600 0.148 0.000 1.091 1384 S CA -0.980 57.277 58.200 0.095 0.000 1.032 1384 S CB 1.966 65.195 63.200 0.047 0.000 1.064 1384 S HN 0.367 nan 8.310 nan 0.000 0.508 1385 M N 2.203 121.890 119.600 0.146 0.000 2.274 1385 M HA 0.376 4.857 4.480 0.001 0.000 0.344 1385 M C 0.112 176.468 176.300 0.094 0.000 1.161 1385 M CA -0.536 54.877 55.300 0.188 0.000 1.126 1385 M CB 0.761 33.493 32.600 0.220 0.000 1.522 1385 M HN 0.774 nan 8.290 nan 0.000 0.461 1386 M N 1.144 120.781 119.600 0.062 0.000 2.250 1386 M HA 0.031 4.511 4.480 0.001 0.000 0.337 1386 M C 0.439 176.854 176.300 0.193 0.000 1.161 1386 M CA 0.473 55.795 55.300 0.038 0.000 1.088 1386 M CB -0.299 32.239 32.600 -0.103 0.000 1.639 1386 M HN 0.569 nan 8.290 nan 0.000 0.447 1387 T N 2.858 117.502 114.554 0.151 0.000 2.822 1387 T HA 0.211 4.561 4.350 0.001 0.000 0.288 1387 T C 1.169 175.938 174.700 0.115 0.000 0.991 1387 T CA 1.258 63.433 62.100 0.125 0.000 1.176 1387 T CB 0.072 68.993 68.868 0.087 0.000 0.951 1387 T HN 1.016 nan 8.240 nan 0.000 0.526 1388 G N 2.723 111.493 108.800 -0.051 0.000 2.213 1388 G HA2 -0.212 3.749 3.960 0.001 0.000 0.236 1388 G HA3 -0.212 3.749 3.960 0.001 0.000 0.236 1388 G C 0.004 174.480 174.900 -0.708 0.000 0.991 1388 G CA -0.573 44.239 45.100 -0.480 0.000 0.629 1388 G HN 0.611 nan 8.290 nan 0.000 0.517 1389 F N 1.385 121.238 119.950 -0.161 0.000 2.432 1389 F HA 0.777 5.305 4.527 0.001 0.000 0.329 1389 F C 0.609 176.515 175.800 0.178 0.000 1.076 1389 F CA 0.090 58.110 58.000 0.033 0.000 1.018 1389 F CB 2.170 41.209 39.000 0.064 0.000 1.201 1389 F HN 0.460 nan 8.300 nan 0.000 0.489 1390 A N 2.438 125.491 122.820 0.389 0.000 2.589 1390 A HA 0.727 5.048 4.320 0.001 0.000 0.296 1390 A C -3.050 174.704 177.584 0.283 0.000 1.062 1390 A CA -1.817 50.307 52.037 0.145 0.000 0.686 1390 A CB 1.454 20.195 19.000 -0.431 0.000 1.282 1390 A HN 0.363 nan 8.150 nan 0.000 0.404 1391 P HA 0.127 nan 4.420 nan 0.000 0.271 1391 P C -0.825 176.738 177.300 0.437 0.000 1.218 1391 P CA -0.038 63.265 63.100 0.338 0.000 0.780 1391 P CB 0.525 32.223 31.700 -0.003 0.000 0.901 1392 D N 1.486 122.128 120.400 0.403 0.000 2.383 1392 D HA -0.018 4.622 4.640 0.001 0.000 0.252 1392 D C 1.047 177.472 176.300 0.208 0.000 1.166 1392 D CA 0.310 54.546 54.000 0.394 0.000 0.879 1392 D CB 0.930 41.953 40.800 0.371 0.000 1.164 1392 D HN 0.370 nan 8.370 nan 0.000 0.462 1393 T N 1.270 115.934 114.554 0.184 0.000 2.821 1393 T HA -0.179 4.171 4.350 0.001 0.000 0.267 1393 T C 1.147 175.864 174.700 0.028 0.000 1.046 1393 T CA 0.959 63.107 62.100 0.080 0.000 1.139 1393 T CB 0.012 68.925 68.868 0.075 0.000 0.871 1393 T HN 0.314 nan 8.240 nan 0.000 0.454 1394 D N 1.679 122.104 120.400 0.041 0.000 2.144 1394 D HA -0.051 4.589 4.640 0.001 0.000 0.199 1394 D C 1.822 178.140 176.300 0.029 0.000 0.984 1394 D CA 1.074 55.089 54.000 0.026 0.000 0.834 1394 D CB -0.498 40.319 40.800 0.027 0.000 0.955 1394 D HN 0.404 nan 8.370 nan 0.000 0.465 1395 D N -0.083 120.351 120.400 0.056 0.000 2.178 1395 D HA -0.050 4.590 4.640 0.001 0.000 0.202 1395 D C 2.205 178.502 176.300 -0.005 0.000 0.974 1395 D CA 0.337 54.376 54.000 0.065 0.000 0.841 1395 D CB -0.111 40.778 40.800 0.148 0.000 0.953 1395 D HN 0.225 nan 8.370 nan 0.000 0.478 1396 L N 0.121 121.301 121.223 -0.073 0.000 2.131 1396 L HA -0.047 4.294 4.340 0.001 0.000 0.206 1396 L C 2.157 178.967 176.870 -0.099 0.000 1.087 1396 L CA 0.888 55.630 54.840 -0.164 0.000 0.767 1396 L CB -0.125 41.803 42.059 -0.217 0.000 0.917 1396 L HN -0.057 nan 8.230 nan 0.000 0.441 1397 K N -0.447 119.918 120.400 -0.057 0.000 2.211 1397 K HA -0.209 4.112 4.320 0.001 0.000 0.203 1397 K C 2.082 178.669 176.600 -0.022 0.000 1.050 1397 K CA 0.875 57.138 56.287 -0.040 0.000 0.945 1397 K CB 0.040 32.526 32.500 -0.024 0.000 0.732 1397 K HN 0.076 nan 8.250 nan 0.000 0.451 1398 Q N 1.223 121.017 119.800 -0.011 0.000 2.049 1398 Q HA -0.039 4.302 4.340 0.001 0.000 0.198 1398 Q C 1.809 177.811 176.000 0.003 0.000 0.971 1398 Q CA 1.385 57.190 55.803 0.003 0.000 0.833 1398 Q CB -0.159 28.589 28.738 0.017 0.000 0.896 1398 Q HN 0.243 nan 8.270 nan 0.000 0.434 1399 L N -0.113 121.106 121.223 -0.006 0.000 2.042 1399 L HA -0.179 4.162 4.340 0.001 0.000 0.210 1399 L C 2.337 179.199 176.870 -0.013 0.000 1.076 1399 L CA 1.197 56.033 54.840 -0.006 0.000 0.749 1399 L CB -0.800 41.244 42.059 -0.024 0.000 0.893 1399 L HN 0.311 nan 8.230 nan 0.000 0.432 1400 A N -0.252 122.545 122.820 -0.038 0.000 2.070 1400 A HA -0.222 4.098 4.320 0.001 0.000 0.220 1400 A C 1.931 179.519 177.584 0.008 0.000 1.159 1400 A CA 1.921 53.936 52.037 -0.037 0.000 0.656 1400 A CB -0.603 18.349 19.000 -0.080 0.000 0.800 1400 A HN 0.422 nan 8.150 nan 0.000 0.453 1401 N N 0.111 118.816 118.700 0.008 0.000 2.457 1401 N HA 0.056 4.796 4.740 0.001 0.000 0.180 1401 N C 1.035 176.562 175.510 0.029 0.000 1.050 1401 N CA 0.701 53.764 53.050 0.021 0.000 0.906 1401 N CB -0.347 38.148 38.487 0.015 0.000 0.968 1401 N HN 0.419 nan 8.380 nan 0.000 0.445 1402 G N -0.026 108.791 108.800 0.029 0.000 2.287 1402 G HA2 -0.036 3.924 3.960 0.001 0.000 0.235 1402 G HA3 -0.036 3.924 3.960 0.001 0.000 0.235 1402 G C 1.266 176.191 174.900 0.042 0.000 1.258 1402 G CA -0.182 44.939 45.100 0.034 0.000 0.884 1402 G HN 0.180 nan 8.290 nan 0.000 0.518 1403 V N 1.494 121.430 119.914 0.037 0.000 2.407 1403 V HA -0.091 4.029 4.120 0.001 0.000 0.248 1403 V C 1.514 177.633 176.094 0.042 0.000 1.055 1403 V CA 2.332 64.653 62.300 0.036 0.000 1.049 1403 V CB -0.129 31.710 31.823 0.028 0.000 0.662 1403 V HN 0.684 nan 8.190 nan 0.000 0.455 1404 D N 0.013 120.441 120.400 0.046 0.000 2.427 1404 D HA 0.226 4.867 4.640 0.001 0.000 0.224 1404 D C 0.508 176.851 176.300 0.072 0.000 1.157 1404 D CA 0.127 54.159 54.000 0.052 0.000 0.828 1404 D CB 0.130 40.958 40.800 0.048 0.000 0.974 1404 D HN 0.510 nan 8.370 nan 0.000 0.498 1405 R N 0.074 120.626 120.500 0.086 0.000 2.888 1405 R HA 0.539 4.879 4.340 0.001 0.000 0.266 1405 R C -1.292 175.126 176.300 0.197 0.000 1.020 1405 R CA -0.928 55.240 56.100 0.114 0.000 0.963 1405 R CB 2.348 32.688 30.300 0.067 0.000 1.197 1405 R HN -0.045 nan 8.270 nan 0.000 0.481 1406 Y N 1.220 121.565 120.300 0.075 0.000 2.399 1406 Y HA 0.471 5.022 4.550 0.002 0.000 0.327 1406 Y C -1.694 174.286 175.900 0.133 0.000 1.111 1406 Y CA -0.682 57.473 58.100 0.092 0.000 1.047 1406 Y CB 1.266 39.776 38.460 0.084 0.000 1.259 1406 Y HN 0.485 nan 8.280 nan 0.000 0.434 1407 I N 5.723 125.969 120.570 -0.540 0.000 2.436 1407 I HA 0.391 4.562 4.170 0.001 0.000 0.289 1407 I C -0.053 175.574 176.117 -0.816 0.000 1.010 1407 I CA -1.042 59.946 61.300 -0.520 0.000 1.098 1407 I CB 2.151 39.990 38.000 -0.268 0.000 1.266 1407 I HN 0.729 nan 8.210 nan 0.000 0.434 1408 S N 4.926 120.242 115.700 -0.639 0.000 2.573 1408 S HA 0.105 4.576 4.470 0.001 0.000 0.277 1408 S C 1.013 175.545 174.600 -0.112 0.000 1.346 1408 S CA -0.362 57.626 58.200 -0.353 0.000 1.034 1408 S CB 1.430 64.664 63.200 0.057 0.000 0.879 1408 S HN 0.798 nan 8.310 nan 0.000 0.528 1409 K N 0.586 120.999 120.400 0.021 0.000 2.057 1409 K HA -0.190 4.131 4.320 0.001 0.000 0.207 1409 K C 1.826 178.465 176.600 0.064 0.000 1.049 1409 K CA 1.521 57.834 56.287 0.043 0.000 0.931 1409 K CB -0.429 32.120 32.500 0.082 0.000 0.714 1409 K HN 0.804 nan 8.250 nan 0.000 0.440 1410 Y N 1.667 121.963 120.300 -0.006 0.000 2.151 1410 Y HA -0.297 4.254 4.550 0.002 0.000 0.284 1410 Y C 2.265 178.152 175.900 -0.022 0.000 1.166 1410 Y CA 2.293 60.391 58.100 -0.004 0.000 1.163 1410 Y CB -0.122 38.347 38.460 0.016 0.000 0.974 1410 Y HN 0.215 nan 8.280 nan 0.000 0.511 1411 E N 0.068 120.328 120.200 0.099 0.000 2.106 1411 E HA -0.149 4.201 4.350 0.001 0.000 0.192 1411 E C 2.053 178.607 176.600 -0.077 0.000 0.984 1411 E CA 1.491 57.890 56.400 -0.002 0.000 0.806 1411 E CB -0.487 29.208 29.700 -0.009 0.000 0.750 1411 E HN 0.580 nan 8.360 nan 0.000 0.458 1412 L N 0.636 121.812 121.223 -0.077 0.000 2.056 1412 L HA -0.137 4.204 4.340 0.001 0.000 0.207 1412 L C 1.324 178.149 176.870 -0.075 0.000 1.078 1412 L CA 1.535 56.328 54.840 -0.079 0.000 0.749 1412 L CB -0.489 41.527 42.059 -0.073 0.000 0.901 1412 L HN 0.233 nan 8.230 nan 0.000 0.433 1413 D N -1.053 119.293 120.400 -0.091 0.000 2.325 1413 D HA 0.004 4.645 4.640 0.001 0.000 0.234 1413 D C 0.333 176.550 176.300 -0.137 0.000 1.122 1413 D CA -0.070 53.872 54.000 -0.096 0.000 0.850 1413 D CB -0.265 40.488 40.800 -0.080 0.000 0.921 1413 D HN 0.095 nan 8.370 nan 0.000 0.513 1414 K N 0.545 120.849 120.400 -0.160 0.000 2.355 1414 K HA 0.419 4.739 4.320 0.001 0.000 0.270 1414 K C 0.423 176.967 176.600 -0.093 0.000 1.003 1414 K CA -0.465 55.725 56.287 -0.161 0.000 0.957 1414 K CB 0.834 33.238 32.500 -0.161 0.000 0.939 1414 K HN 0.180 nan 8.250 nan 0.000 0.482 1415 A N 2.352 125.119 122.820 -0.090 0.000 2.520 1415 A HA -0.045 4.275 4.320 0.001 0.000 0.235 1415 A C 0.837 178.398 177.584 -0.039 0.000 1.065 1415 A CA -0.066 51.941 52.037 -0.050 0.000 0.764 1415 A CB -0.124 18.835 19.000 -0.069 0.000 1.002 1415 A HN 0.878 nan 8.150 nan 0.000 0.502 1416 F N 2.482 122.362 119.950 -0.118 0.000 2.126 1416 F HA -0.215 4.313 4.527 0.001 0.000 0.299 1416 F C 2.307 177.989 175.800 -0.198 0.000 1.096 1416 F CA 2.617 60.550 58.000 -0.112 0.000 1.255 1416 F CB -0.208 38.743 39.000 -0.082 0.000 0.997 1416 F HN 0.502 nan 8.300 nan 0.000 0.479 1417 S N -1.886 113.497 115.700 -0.528 0.000 2.528 1417 S HA 0.003 4.474 4.470 0.001 0.000 0.219 1417 S C 0.938 175.155 174.600 -0.638 0.000 0.985 1417 S CA 0.541 58.145 58.200 -0.995 0.000 0.914 1417 S CB -0.251 62.491 63.200 -0.764 0.000 0.776 1417 S HN 0.414 nan 8.310 nan 0.000 0.526 1418 D N 1.680 121.877 120.400 -0.340 0.000 2.738 1418 D HA 0.227 4.868 4.640 0.001 0.000 0.246 1418 D C -0.414 175.809 176.300 -0.128 0.000 1.270 1418 D CA -0.043 53.848 54.000 -0.182 0.000 0.833 1418 D CB 0.341 41.065 40.800 -0.126 0.000 1.040 1418 D HN 0.358 nan 8.370 nan 0.000 0.487 1419 R N 1.190 121.596 120.500 -0.157 0.000 2.346 1419 R HA 0.239 4.580 4.340 0.001 0.000 0.309 1419 R C 0.582 176.875 176.300 -0.011 0.000 1.119 1419 R CA -0.384 55.667 56.100 -0.082 0.000 1.112 1419 R CB 0.616 30.853 30.300 -0.104 0.000 1.132 1419 R HN -0.096 nan 8.270 nan 0.000 0.538 1420 N N 0.538 119.252 118.700 0.025 0.000 2.416 1420 N HA -0.053 4.687 4.740 0.001 0.000 0.177 1420 N C 0.578 176.129 175.510 0.069 0.000 1.036 1420 N CA 0.848 53.938 53.050 0.068 0.000 0.901 1420 N CB 0.520 39.045 38.487 0.064 0.000 0.976 1420 N HN 0.527 nan 8.380 nan 0.000 0.444 1421 T N -1.707 112.875 114.554 0.045 0.000 2.894 1421 T HA 0.665 5.015 4.350 0.001 0.000 0.309 1421 T C -0.766 173.944 174.700 0.016 0.000 1.208 1421 T CA -1.025 61.101 62.100 0.043 0.000 1.016 1421 T CB 1.829 70.719 68.868 0.038 0.000 1.192 1421 T HN 0.080 nan 8.240 nan 0.000 0.491 1422 L N 0.329 121.552 121.223 0.002 0.000 2.465 1422 L HA 0.859 5.200 4.340 0.001 0.000 0.257 1422 L C -1.797 175.023 176.870 -0.084 0.000 0.988 1422 L CA -1.384 53.428 54.840 -0.046 0.000 0.827 1422 L CB 1.886 43.889 42.059 -0.092 0.000 1.397 1422 L HN 0.744 nan 8.230 nan 0.000 0.410 1423 I N 3.269 123.757 120.570 -0.137 0.000 2.378 1423 I HA 0.447 4.617 4.170 0.001 0.000 0.291 1423 I C -0.614 175.292 176.117 -0.352 0.000 0.992 1423 I CA -0.493 60.638 61.300 -0.281 0.000 1.154 1423 I CB 1.914 39.688 38.000 -0.375 0.000 1.315 1423 I HN 0.542 nan 8.210 nan 0.000 0.448 1424 I N 6.269 126.625 120.570 -0.357 0.000 2.354 1424 I HA 0.280 4.450 4.170 0.001 0.000 0.292 1424 I C -0.936 174.981 176.117 -0.333 0.000 0.989 1424 I CA -0.702 60.435 61.300 -0.271 0.000 1.188 1424 I CB 1.151 39.061 38.000 -0.150 0.000 1.342 1424 I HN 0.367 nan 8.210 nan 0.000 0.457 1425 Y N 6.322 126.626 120.300 0.007 0.000 2.320 1425 Y HA 0.509 5.060 4.550 0.001 0.000 0.334 1425 Y C -0.112 175.813 175.900 0.042 0.000 1.055 1425 Y CA -0.477 57.652 58.100 0.048 0.000 1.143 1425 Y CB 1.184 39.757 38.460 0.189 0.000 1.193 1425 Y HN 0.331 nan 8.280 nan 0.000 0.477 1426 L N 3.605 124.921 121.223 0.155 0.000 2.313 1426 L HA 0.361 4.701 4.340 0.001 0.000 0.283 1426 L C 0.594 177.521 176.870 0.094 0.000 1.013 1426 L CA -0.567 54.331 54.840 0.095 0.000 0.816 1426 L CB 1.451 43.534 42.059 0.040 0.000 1.236 1426 L HN 0.642 nan 8.230 nan 0.000 0.419 1427 D N 2.118 122.564 120.400 0.076 0.000 2.219 1427 D HA -0.063 4.578 4.640 0.001 0.000 0.205 1427 D C 0.327 176.654 176.300 0.045 0.000 0.970 1427 D CA 1.267 55.295 54.000 0.047 0.000 0.851 1427 D CB 0.403 41.223 40.800 0.033 0.000 0.943 1427 D HN 0.600 nan 8.370 nan 0.000 0.488 1428 K N -1.815 118.617 120.400 0.055 0.000 2.579 1428 K HA 0.550 4.871 4.320 0.001 0.000 0.284 1428 K C -1.518 175.128 176.600 0.077 0.000 0.990 1428 K CA -0.923 55.396 56.287 0.054 0.000 0.880 1428 K CB 1.947 34.475 32.500 0.047 0.000 1.488 1428 K HN -0.293 nan 8.250 nan 0.000 0.425 1429 V N 0.890 120.858 119.914 0.091 0.000 2.577 1429 V HA 0.349 4.470 4.120 0.001 0.000 0.303 1429 V C -0.382 175.814 176.094 0.171 0.000 1.042 1429 V CA -0.853 61.542 62.300 0.159 0.000 0.872 1429 V CB 1.676 33.686 31.823 0.311 0.000 0.998 1429 V HN 0.885 nan 8.190 nan 0.000 0.423 1430 S N 2.204 118.001 115.700 0.162 0.000 2.560 1430 S HA 0.068 4.539 4.470 0.001 0.000 0.284 1430 S C 1.057 175.794 174.600 0.229 0.000 1.327 1430 S CA 0.618 58.917 58.200 0.166 0.000 1.055 1430 S CB 0.226 63.481 63.200 0.092 0.000 0.868 1430 S HN 1.071 nan 8.310 nan 0.000 0.506 1431 H N 1.839 120.991 119.070 0.138 0.000 2.595 1431 H HA 0.362 4.919 4.556 0.001 0.000 0.265 1431 H C 1.478 176.849 175.328 0.072 0.000 0.953 1431 H CA 0.719 56.848 56.048 0.135 0.000 1.197 1431 H CB 0.018 29.877 29.762 0.163 0.000 1.438 1431 H HN 0.438 nan 8.280 nan 0.000 0.531 1432 S N 0.089 115.504 115.700 -0.476 0.000 2.387 1432 S HA -0.014 4.457 4.470 0.001 0.000 0.221 1432 S C 0.726 175.238 174.600 -0.147 0.000 1.041 1432 S CA 0.616 58.574 58.200 -0.404 0.000 0.959 1432 S CB 0.108 63.095 63.200 -0.354 0.000 0.843 1432 S HN 0.717 nan 8.310 nan 0.000 0.488 1433 E N 1.104 121.260 120.200 -0.073 0.000 2.416 1433 E HA 0.315 4.666 4.350 0.001 0.000 0.273 1433 E C -1.927 174.685 176.600 0.019 0.000 0.935 1433 E CA -0.778 55.609 56.400 -0.021 0.000 0.784 1433 E CB 0.766 30.456 29.700 -0.018 0.000 1.301 1433 E HN -0.107 nan 8.360 nan 0.000 0.454 1434 D N 1.342 121.757 120.400 0.025 0.000 2.425 1434 D HA 0.131 4.772 4.640 0.001 0.000 0.247 1434 D C -0.792 175.533 176.300 0.041 0.000 1.147 1434 D CA 0.443 54.469 54.000 0.043 0.000 0.879 1434 D CB 0.716 41.535 40.800 0.031 0.000 1.179 1434 D HN 0.235 nan 8.370 nan 0.000 0.456 1435 D N 2.071 122.506 120.400 0.058 0.000 2.317 1435 D HA 0.185 4.825 4.640 0.001 0.000 0.234 1435 D C -0.242 176.078 176.300 0.035 0.000 1.112 1435 D CA -0.185 53.844 54.000 0.049 0.000 0.840 1435 D CB 0.786 41.625 40.800 0.065 0.000 1.078 1435 D HN 0.197 nan 8.370 nan 0.000 0.486 1436 c N 2.711 121.324 118.600 0.021 0.000 2.391 1436 c HA 0.796 5.366 4.570 0.001 0.000 0.339 1436 c C -0.155 173.941 174.090 0.009 0.000 1.205 1436 c CA -0.799 55.534 56.329 0.006 0.000 1.937 1436 c CB 0.274 42.781 42.510 -0.005 0.000 2.341 1436 c HN 0.563 nan 8.230 nan 0.000 0.516 1437 L N 0.693 121.918 121.223 0.004 0.000 2.415 1437 L HA 1.071 5.412 4.340 0.001 0.000 0.256 1437 L C -0.528 176.344 176.870 0.003 0.000 1.010 1437 L CA -0.783 54.073 54.840 0.026 0.000 0.826 1437 L CB 1.291 43.385 42.059 0.059 0.000 1.405 1437 L HN 0.829 nan 8.230 nan 0.000 0.410 1438 A N 1.287 124.126 122.820 0.031 0.000 2.572 1438 A HA 0.961 5.282 4.320 0.001 0.000 0.295 1438 A C -1.347 176.294 177.584 0.096 0.000 1.072 1438 A CA -0.419 51.590 52.037 -0.048 0.000 0.691 1438 A CB 1.438 20.385 19.000 -0.088 0.000 1.291 1438 A HN 1.354 nan 8.150 nan 0.000 0.404 1439 F N -0.968 118.941 119.950 -0.068 0.000 2.686 1439 F HA 0.721 5.249 4.527 0.001 0.000 0.311 1439 F C -0.579 175.178 175.800 -0.071 0.000 1.128 1439 F CA -1.086 56.883 58.000 -0.052 0.000 0.946 1439 F CB 1.269 40.248 39.000 -0.035 0.000 1.336 1439 F HN 0.457 nan 8.300 nan 0.000 0.457 1440 K N 1.826 122.300 120.400 0.124 0.000 2.218 1440 K HA 0.608 4.929 4.320 0.001 0.000 0.276 1440 K C -0.861 175.720 176.600 -0.032 0.000 1.022 1440 K CA -0.860 55.395 56.287 -0.053 0.000 0.946 1440 K CB 1.881 34.326 32.500 -0.091 0.000 1.000 1440 K HN 0.658 nan 8.250 nan 0.000 0.468 1441 V N 0.206 120.048 119.914 -0.121 0.000 2.540 1441 V HA 0.426 4.546 4.120 0.001 0.000 0.302 1441 V C -0.677 175.470 176.094 0.089 0.000 1.035 1441 V CA -0.866 61.476 62.300 0.070 0.000 0.873 1441 V CB 1.543 33.479 31.823 0.189 0.000 0.992 1441 V HN 0.670 nan 8.190 nan 0.000 0.428 1442 H N 3.165 122.539 119.070 0.507 0.000 2.469 1442 H HA 0.432 4.988 4.556 0.001 0.000 0.342 1442 H C -0.717 174.702 175.328 0.151 0.000 1.115 1442 H CA -0.411 55.865 56.048 0.379 0.000 1.204 1442 H CB 2.329 32.328 29.762 0.396 0.000 1.492 1442 H HN 0.844 nan 8.280 nan 0.000 0.499 1443 Q N 3.006 122.685 119.800 -0.201 0.000 2.369 1443 Q HA 0.052 4.392 4.340 0.001 0.000 0.247 1443 Q C 0.183 176.057 176.000 -0.209 0.000 1.083 1443 Q CA -0.373 54.960 55.803 -0.784 0.000 0.905 1443 Q CB 0.186 28.281 28.738 -1.071 0.000 1.305 1443 Q HN 0.683 nan 8.270 nan 0.000 0.465 1444 Y N 2.961 123.256 120.300 -0.009 0.000 2.269 1444 Y HA 0.166 4.716 4.550 0.001 0.000 0.294 1444 Y C -0.002 175.996 175.900 0.162 0.000 1.120 1444 Y CA -0.097 58.097 58.100 0.156 0.000 1.159 1444 Y CB 0.235 38.882 38.460 0.312 0.000 1.024 1444 Y HN 0.422 nan 8.280 nan 0.000 0.532 1445 F N 3.297 122.973 119.950 -0.457 0.000 2.532 1445 F HA 0.357 4.885 4.527 0.001 0.000 0.365 1445 F C -0.334 175.284 175.800 -0.303 0.000 1.112 1445 F CA -2.185 55.663 58.000 -0.254 0.000 1.082 1445 F CB 0.155 39.078 39.000 -0.128 0.000 1.319 1445 F HN 0.126 nan 8.300 nan 0.000 0.457 1446 N N 3.738 122.130 118.700 -0.513 0.000 2.458 1446 N HA 0.379 5.120 4.740 0.001 0.000 0.258 1446 N C -1.538 173.696 175.510 -0.461 0.000 1.219 1446 N CA 0.140 52.935 53.050 -0.425 0.000 0.902 1446 N CB 1.279 39.577 38.487 -0.315 0.000 1.076 1446 N HN 0.424 nan 8.380 nan 0.000 0.455 1447 V N 1.430 121.195 119.914 -0.249 0.000 3.000 1447 V HA 0.292 4.413 4.120 0.001 0.000 0.300 1447 V C -1.186 174.860 176.094 -0.081 0.000 1.251 1447 V CA -0.902 61.300 62.300 -0.164 0.000 0.972 1447 V CB 1.772 33.539 31.823 -0.094 0.000 1.065 1447 V HN 0.969 nan 8.190 nan 0.000 0.431 1448 E N 6.348 126.506 120.200 -0.070 0.000 2.373 1448 E HA 0.496 4.846 4.350 0.001 0.000 0.267 1448 E C -0.407 176.178 176.600 -0.025 0.000 1.032 1448 E CA -0.032 56.341 56.400 -0.046 0.000 0.889 1448 E CB 0.554 30.217 29.700 -0.062 0.000 0.984 1448 E HN 0.750 nan 8.360 nan 0.000 0.425 1449 L N 4.177 125.396 121.223 -0.006 0.000 3.000 1449 L HA -0.188 4.152 4.340 0.001 0.000 0.682 1449 L C -0.643 176.253 176.870 0.043 0.000 1.047 1449 L CA 0.804 55.648 54.840 0.007 0.000 1.334 1449 L CB -1.599 40.444 42.059 -0.026 0.000 1.859 1449 L HN 0.778 nan 8.230 nan 0.000 0.890 1450 I N 0.563 121.204 120.570 0.118 0.000 2.525 1450 I HA 0.557 4.728 4.170 0.001 0.000 0.301 1450 I C 0.390 176.605 176.117 0.163 0.000 0.992 1450 I CA -0.684 60.706 61.300 0.150 0.000 1.162 1450 I CB 1.838 39.947 38.000 0.182 0.000 1.332 1450 I HN 0.645 nan 8.210 nan 0.000 0.458 1451 Q N 6.247 126.103 119.800 0.094 0.000 2.293 1451 Q HA 0.445 4.786 4.340 0.001 0.000 0.251 1451 Q C -2.361 173.679 176.000 0.067 0.000 0.930 1451 Q CA -1.814 54.009 55.803 0.033 0.000 0.893 1451 Q CB 1.129 29.876 28.738 0.015 0.000 1.215 1451 Q HN 0.477 nan 8.270 nan 0.000 0.425 1452 P HA 0.028 nan 4.420 nan 0.000 0.269 1452 P C -0.571 176.635 177.300 -0.156 0.000 1.209 1452 P CA -0.006 63.082 63.100 -0.021 0.000 0.776 1452 P CB 0.592 32.254 31.700 -0.063 0.000 0.876 1453 G N 0.546 108.988 108.800 -0.597 0.000 2.528 1453 G HA2 0.599 4.559 3.960 0.001 0.000 0.289 1453 G HA3 0.599 4.559 3.960 0.001 0.000 0.289 1453 G C -1.140 173.409 174.900 -0.584 0.000 1.192 1453 G CA -0.368 44.268 45.100 -0.773 0.000 0.921 1453 G HN 0.629 nan 8.290 nan 0.000 0.512 1454 A N -1.002 121.664 122.820 -0.257 0.000 2.515 1454 A HA 0.766 5.087 4.320 0.001 0.000 0.296 1454 A C -1.235 176.326 177.584 -0.039 0.000 1.094 1454 A CA -0.522 51.350 52.037 -0.275 0.000 0.718 1454 A CB 2.110 20.818 19.000 -0.486 0.000 1.307 1454 A HN 1.159 nan 8.150 nan 0.000 0.408 1455 V N 1.287 121.135 119.914 -0.109 0.000 2.577 1455 V HA 0.525 4.646 4.120 0.001 0.000 0.303 1455 V C -0.295 175.725 176.094 -0.124 0.000 1.042 1455 V CA -0.616 61.650 62.300 -0.057 0.000 0.872 1455 V CB 1.701 33.513 31.823 -0.019 0.000 0.998 1455 V HN 0.932 nan 8.190 nan 0.000 0.423 1456 K N 3.325 123.675 120.400 -0.084 0.000 2.292 1456 K HA 0.803 5.123 4.320 0.001 0.000 0.257 1456 K C -1.648 174.916 176.600 -0.060 0.000 0.940 1456 K CA -0.497 55.766 56.287 -0.041 0.000 0.811 1456 K CB 2.206 34.728 32.500 0.037 0.000 1.120 1456 K HN 0.505 nan 8.250 nan 0.000 0.428 1457 V N 6.230 126.073 119.914 -0.119 0.000 2.680 1457 V HA 0.724 4.844 4.120 0.001 0.000 0.309 1457 V C -1.845 174.074 176.094 -0.291 0.000 1.052 1457 V CA -0.309 61.767 62.300 -0.373 0.000 0.908 1457 V CB 1.231 32.676 31.823 -0.631 0.000 1.001 1457 V HN 0.844 nan 8.190 nan 0.000 0.431 1458 Y N 3.454 123.483 120.300 -0.451 0.000 2.604 1458 Y HA 0.840 5.390 4.550 0.000 0.000 0.331 1458 Y C -0.423 175.446 175.900 -0.051 0.000 1.158 1458 Y CA -0.799 57.202 58.100 -0.166 0.000 1.056 1458 Y CB 0.826 39.249 38.460 -0.062 0.000 1.330 1458 Y HN 0.843 nan 8.280 nan 0.000 0.457 1459 A N 2.245 125.193 122.820 0.212 0.000 2.354 1459 A HA 0.332 4.653 4.320 0.001 0.000 0.269 1459 A C 0.610 178.065 177.584 -0.215 0.000 1.109 1459 A CA -0.071 51.919 52.037 -0.079 0.000 0.800 1459 A CB -0.222 18.558 19.000 -0.366 0.000 1.045 1459 A HN 1.274 nan 8.150 nan 0.000 0.489 1460 Y N 2.016 122.246 120.300 -0.117 0.000 2.181 1460 Y HA -0.378 4.172 4.550 -0.000 0.000 0.284 1460 Y C 1.539 177.474 175.900 0.059 0.000 1.179 1460 Y CA 2.375 60.501 58.100 0.044 0.000 1.179 1460 Y CB -0.961 37.557 38.460 0.098 0.000 0.973 1460 Y HN 0.742 nan 8.280 nan 0.000 0.519 1461 Y N -1.023 118.676 120.300 -1.001 0.000 2.544 1461 Y HA 0.264 4.814 4.550 0.001 0.000 0.286 1461 Y C 0.053 175.787 175.900 -0.277 0.000 1.141 1461 Y CA -0.107 57.457 58.100 -0.893 0.000 1.299 1461 Y CB -0.284 37.638 38.460 -0.897 0.000 1.030 1461 Y HN 0.131 nan 8.280 nan 0.000 0.543 1462 N N 0.797 119.297 118.700 -0.333 0.000 2.581 1462 N HA 0.136 4.877 4.740 0.001 0.000 0.279 1462 N C -0.217 175.237 175.510 -0.093 0.000 1.124 1462 N CA -0.424 52.564 53.050 -0.104 0.000 0.833 1462 N CB 1.395 39.888 38.487 0.010 0.000 1.338 1462 N HN 0.326 nan 8.380 nan 0.000 0.533 1463 L N 2.727 123.875 121.223 -0.125 0.000 2.240 1463 L HA 0.168 4.509 4.340 0.001 0.000 0.211 1463 L C 1.606 178.334 176.870 -0.237 0.000 1.106 1463 L CA 1.513 56.150 54.840 -0.337 0.000 0.793 1463 L CB 0.066 41.883 42.059 -0.403 0.000 0.927 1463 L HN 0.418 nan 8.230 nan 0.000 0.446 1464 E N 0.652 120.784 120.200 -0.112 0.000 2.114 1464 E HA -0.193 4.158 4.350 0.001 0.000 0.199 1464 E C 0.369 176.950 176.600 -0.033 0.000 1.008 1464 E CA 1.107 57.470 56.400 -0.061 0.000 0.810 1464 E CB -0.394 29.294 29.700 -0.021 0.000 0.739 1464 E HN 0.628 nan 8.360 nan 0.000 0.456 1465 E N 1.656 121.857 120.200 0.002 0.000 1.998 1465 E HA 0.192 4.543 4.350 0.001 0.000 0.257 1465 E C -0.277 176.394 176.600 0.117 0.000 1.038 1465 E CA -0.156 56.284 56.400 0.067 0.000 0.869 1465 E CB 0.572 30.336 29.700 0.107 0.000 1.135 1465 E HN 0.043 nan 8.360 nan 0.000 0.430 1466 S N 0.600 116.339 115.700 0.066 0.000 2.542 1466 S HA 0.431 4.902 4.470 0.001 0.000 0.293 1466 S C -0.412 174.243 174.600 0.092 0.000 1.089 1466 S CA -0.918 57.344 58.200 0.103 0.000 0.961 1466 S CB 1.799 64.985 63.200 -0.024 0.000 1.062 1466 S HN 0.424 nan 8.310 nan 0.000 0.483 1467 c N 3.165 121.824 118.600 0.097 0.000 2.281 1467 c HA 0.779 5.349 4.570 0.001 0.000 0.325 1467 c C 0.087 174.173 174.090 -0.007 0.000 1.282 1467 c CA 0.082 56.449 56.329 0.064 0.000 1.640 1467 c CB -0.197 42.379 42.510 0.110 0.000 2.288 1467 c HN 0.969 nan 8.230 nan 0.000 0.507 1468 T N 6.703 121.237 114.554 -0.033 0.000 2.797 1468 T HA 0.593 4.944 4.350 0.001 0.000 0.279 1468 T C -0.414 174.187 174.700 -0.165 0.000 0.991 1468 T CA -0.525 61.485 62.100 -0.149 0.000 0.979 1468 T CB 0.782 69.520 68.868 -0.216 0.000 0.943 1468 T HN 0.626 nan 8.240 nan 0.000 0.444 1469 R N 1.886 122.245 120.500 -0.235 0.000 2.686 1469 R HA 0.567 4.908 4.340 0.001 0.000 0.286 1469 R C -1.222 174.912 176.300 -0.276 0.000 0.969 1469 R CA -0.706 55.314 56.100 -0.133 0.000 0.898 1469 R CB 1.614 31.911 30.300 -0.005 0.000 1.183 1469 R HN 0.514 nan 8.270 nan 0.000 0.456 1470 F N 1.749 121.730 119.950 0.053 0.000 2.440 1470 F HA 0.515 5.043 4.527 0.001 0.000 0.328 1470 F C 0.204 176.060 175.800 0.094 0.000 1.070 1470 F CA -0.683 57.322 58.000 0.010 0.000 1.011 1470 F CB 1.057 40.025 39.000 -0.053 0.000 1.226 1470 F HN 0.414 nan 8.300 nan 0.000 0.491 1471 Y N -0.840 119.563 120.300 0.172 0.000 2.534 1471 Y HA 0.700 5.251 4.550 0.001 0.000 0.345 1471 Y C -1.368 174.597 175.900 0.108 0.000 1.031 1471 Y CA -1.080 57.067 58.100 0.077 0.000 1.022 1471 Y CB 1.522 39.966 38.460 -0.026 0.000 1.292 1471 Y HN 0.709 nan 8.280 nan 0.000 0.459 1472 H N 2.503 121.611 119.070 0.063 0.000 3.112 1472 H HA 0.254 4.810 4.556 0.001 0.000 0.347 1472 H C -2.701 172.613 175.328 -0.024 0.000 1.188 1472 H CA -2.007 54.020 56.048 -0.035 0.000 1.240 1472 H CB 3.244 32.961 29.762 -0.074 0.000 1.920 1472 H HN 0.505 nan 8.280 nan 0.000 0.535 1473 P HA -0.040 nan 4.420 nan 0.000 0.223 1473 P C 0.285 177.539 177.300 -0.076 0.000 1.151 1473 P CA 1.100 64.060 63.100 -0.233 0.000 0.787 1473 P CB 0.747 32.263 31.700 -0.306 0.000 0.788 1474 E N -0.764 119.478 120.200 0.071 0.000 2.175 1474 E HA 0.110 4.461 4.350 0.001 0.000 0.193 1474 E C 0.339 177.009 176.600 0.117 0.000 0.962 1474 E CA 0.243 56.717 56.400 0.123 0.000 0.981 1474 E CB -0.524 29.265 29.700 0.149 0.000 1.093 1474 E HN 0.051 nan 8.360 nan 0.000 0.483 1475 K N 1.885 122.387 120.400 0.170 0.000 2.586 1475 K HA -0.078 4.242 4.320 0.001 0.000 0.280 1475 K C 0.105 176.714 176.600 0.015 0.000 0.972 1475 K CA 0.434 56.716 56.287 -0.009 0.000 1.040 1475 K CB 0.202 32.613 32.500 -0.149 0.000 0.870 1475 K HN 0.148 nan 8.250 nan 0.000 0.497 1476 E N 2.879 123.066 120.200 -0.023 0.000 2.180 1476 E HA -0.071 4.279 4.350 0.001 0.000 0.283 1476 E C -0.645 175.963 176.600 0.013 0.000 1.061 1476 E CA -0.084 56.316 56.400 -0.000 0.000 0.861 1476 E CB 0.230 29.923 29.700 -0.012 0.000 1.056 1476 E HN 0.511 nan 8.360 nan 0.000 0.407 1477 D N 3.386 123.815 120.400 0.048 0.000 3.076 1477 D HA -0.201 4.440 4.640 0.001 0.000 0.218 1477 D C 0.633 176.999 176.300 0.111 0.000 1.156 1477 D CA 0.851 54.901 54.000 0.082 0.000 0.921 1477 D CB -1.386 39.456 40.800 0.070 0.000 1.113 1477 D HN 0.928 nan 8.370 nan 0.000 0.418 1478 G N 0.100 108.950 108.800 0.084 0.000 2.258 1478 G HA2 -0.358 3.603 3.960 0.001 0.000 0.274 1478 G HA3 -0.358 3.603 3.960 0.001 0.000 0.274 1478 G C 0.215 175.048 174.900 -0.113 0.000 1.021 1478 G CA 0.794 45.928 45.100 0.058 0.000 0.798 1478 G HN 0.278 nan 8.290 nan 0.000 0.507 1479 K N 0.027 120.343 120.400 -0.140 0.000 2.205 1479 K HA 0.452 4.772 4.320 0.001 0.000 0.279 1479 K C 1.201 177.659 176.600 -0.237 0.000 1.027 1479 K CA -0.667 55.485 56.287 -0.225 0.000 0.932 1479 K CB 1.171 33.592 32.500 -0.133 0.000 1.032 1479 K HN 0.289 nan 8.250 nan 0.000 0.466 1480 L N 2.708 123.771 121.223 -0.267 0.000 2.485 1480 L HA 0.026 4.366 4.340 0.001 0.000 0.275 1480 L C 0.834 177.614 176.870 -0.151 0.000 1.207 1480 L CA -0.156 54.552 54.840 -0.219 0.000 0.855 1480 L CB 0.057 41.996 42.059 -0.201 0.000 1.114 1480 L HN 0.373 nan 8.230 nan 0.000 0.485 1481 N N 4.273 122.887 118.700 -0.143 0.000 2.452 1481 N HA 0.114 4.855 4.740 0.001 0.000 0.266 1481 N C -0.559 174.974 175.510 0.040 0.000 1.209 1481 N CA 0.239 53.246 53.050 -0.073 0.000 0.929 1481 N CB 0.770 39.163 38.487 -0.156 0.000 1.063 1481 N HN 0.534 nan 8.380 nan 0.000 0.472 1482 K N 0.807 121.278 120.400 0.119 0.000 2.536 1482 K HA 0.528 4.849 4.320 0.001 0.000 0.269 1482 K C -1.327 175.229 176.600 -0.074 0.000 0.965 1482 K CA -0.844 55.454 56.287 0.018 0.000 0.860 1482 K CB 1.409 33.893 32.500 -0.026 0.000 1.423 1482 K HN 0.181 nan 8.250 nan 0.000 0.438 1483 L N 1.810 122.855 121.223 -0.297 0.000 2.298 1483 L HA 0.459 4.800 4.340 0.001 0.000 0.284 1483 L C -1.146 175.603 176.870 -0.202 0.000 1.013 1483 L CA -0.839 53.657 54.840 -0.572 0.000 0.824 1483 L CB 1.693 42.882 42.059 -1.451 0.000 1.221 1483 L HN 0.703 nan 8.230 nan 0.000 0.418 1484 c N 3.300 121.932 118.600 0.053 0.000 2.316 1484 c HA 0.444 5.015 4.570 0.001 0.000 0.324 1484 c C 0.266 174.531 174.090 0.292 0.000 1.226 1484 c CA -0.829 55.609 56.329 0.182 0.000 1.450 1484 c CB 1.008 43.570 42.510 0.087 0.000 2.123 1484 c HN 0.732 nan 8.230 nan 0.000 0.454 1485 R N 3.679 124.361 120.500 0.303 0.000 2.265 1485 R HA 0.285 4.626 4.340 0.001 0.000 0.328 1485 R C 0.155 176.488 176.300 0.054 0.000 0.969 1485 R CA 0.079 56.245 56.100 0.110 0.000 0.832 1485 R CB 0.305 30.548 30.300 -0.095 0.000 1.139 1485 R HN 0.971 nan 8.270 nan 0.000 0.457 1486 D N 2.033 122.453 120.400 0.034 0.000 4.134 1486 D HA -0.294 4.347 4.640 0.001 0.000 0.141 1486 D C 0.620 176.941 176.300 0.035 0.000 0.779 1486 D CA 2.017 56.030 54.000 0.022 0.000 1.126 1486 D CB -0.487 40.314 40.800 0.002 0.000 0.523 1486 D HN 0.820 nan 8.370 nan 0.000 0.513 1487 E N 2.184 122.402 120.200 0.029 0.000 2.476 1487 E HA 0.073 4.423 4.350 0.001 0.000 0.199 1487 E C 1.067 177.691 176.600 0.040 0.000 1.021 1487 E CA 0.017 56.436 56.400 0.030 0.000 0.907 1487 E CB 0.131 29.843 29.700 0.020 0.000 0.974 1487 E HN 0.538 nan 8.360 nan 0.000 0.489 1488 L N 1.271 122.528 121.223 0.055 0.000 2.282 1488 L HA 0.471 4.812 4.340 0.001 0.000 0.288 1488 L C -1.264 175.670 176.870 0.108 0.000 1.033 1488 L CA -0.435 54.447 54.840 0.071 0.000 0.807 1488 L CB 1.171 43.272 42.059 0.070 0.000 1.209 1488 L HN -0.030 nan 8.230 nan 0.000 0.423 1489 c N 4.344 122.990 118.600 0.076 0.000 2.561 1489 c HA 0.705 5.276 4.570 0.001 0.000 0.319 1489 c C -0.275 173.835 174.090 0.033 0.000 1.198 1489 c CA -0.821 55.542 56.329 0.057 0.000 1.665 1489 c CB 1.643 44.165 42.510 0.020 0.000 2.258 1489 c HN 0.945 nan 8.230 nan 0.000 0.493 1490 R N 1.016 121.508 120.500 -0.014 0.000 2.637 1490 R HA 0.720 5.061 4.340 0.001 0.000 0.291 1490 R C -0.687 175.567 176.300 -0.076 0.000 0.963 1490 R CA -0.314 55.766 56.100 -0.033 0.000 0.901 1490 R CB 0.758 31.046 30.300 -0.020 0.000 1.160 1490 R HN 0.703 nan 8.270 nan 0.000 0.457 1491 C N 1.866 121.137 119.300 -0.048 0.000 2.644 1491 C HA 0.547 5.007 4.460 0.001 0.000 0.417 1491 C C 1.005 175.965 174.990 -0.050 0.000 1.304 1491 C CA 0.433 59.422 59.018 -0.047 0.000 2.035 1491 C CB -0.004 27.714 27.740 -0.037 0.000 2.673 1491 C HN 0.917 nan 8.230 nan 0.000 0.602 1492 A N 4.201 127.005 122.820 -0.027 0.000 2.594 1492 A HA 0.341 4.662 4.320 0.001 0.000 0.292 1492 A C 0.068 177.649 177.584 -0.005 0.000 1.026 1492 A CA -0.009 52.035 52.037 0.012 0.000 0.983 1492 A CB -0.036 19.038 19.000 0.123 0.000 1.233 1492 A HN 0.828 nan 8.150 nan 0.000 0.519 1493 E N 2.225 122.400 120.200 -0.043 0.000 2.079 1493 E HA 0.276 4.627 4.350 0.001 0.000 0.252 1493 E C -0.267 176.295 176.600 -0.062 0.000 0.992 1493 E CA 0.155 56.511 56.400 -0.073 0.000 0.829 1493 E CB 0.301 29.944 29.700 -0.095 0.000 1.158 1493 E HN 0.850 nan 8.360 nan 0.000 0.435 1494 E N 1.128 121.291 120.200 -0.061 0.000 2.421 1494 E HA 0.349 4.699 4.350 0.001 0.000 0.265 1494 E C -0.470 176.078 176.600 -0.087 0.000 0.990 1494 E CA -0.983 55.382 56.400 -0.058 0.000 0.874 1494 E CB 0.671 30.351 29.700 -0.034 0.000 1.646 1494 E HN 0.037 nan 8.360 nan 0.000 0.451 1495 N N -0.719 117.921 118.700 -0.100 0.000 2.416 1495 N HA 0.011 4.751 4.740 0.001 0.000 0.246 1495 N C 0.456 175.849 175.510 -0.195 0.000 1.260 1495 N CA -0.209 52.738 53.050 -0.172 0.000 0.897 1495 N CB 0.480 38.861 38.487 -0.177 0.000 1.110 1495 N HN 0.371 nan 8.380 nan 0.000 0.439 1496 c N 0.878 119.263 118.600 -0.357 0.000 2.450 1496 c HA 0.063 4.634 4.570 0.001 0.000 0.279 1496 c C 0.308 174.298 174.090 -0.167 0.000 1.335 1496 c CA 0.378 56.521 56.329 -0.309 0.000 1.749 1496 c CB -1.311 40.930 42.510 -0.448 0.000 1.963 1496 c HN 0.685 nan 8.230 nan 0.000 0.501 1497 F N -3.493 116.405 119.950 -0.088 0.000 2.817 1497 F HA 0.512 5.040 4.527 0.001 0.000 0.317 1497 F C -0.767 174.955 175.800 -0.129 0.000 1.168 1497 F CA -1.808 56.117 58.000 -0.125 0.000 0.911 1497 F CB -0.101 38.766 39.000 -0.222 0.000 1.337 1497 F HN -0.309 nan 8.300 nan 0.000 0.464 1498 I N 2.824 123.463 120.570 0.115 0.000 2.849 1498 I HA -0.087 4.083 4.170 0.001 0.000 0.288 1498 I C 1.461 177.590 176.117 0.020 0.000 1.156 1498 I CA 0.613 61.960 61.300 0.079 0.000 1.394 1498 I CB -0.028 38.108 38.000 0.228 0.000 1.462 1498 I HN 0.707 nan 8.210 nan 0.000 0.587 1499 Q N 4.198 123.978 119.800 -0.032 0.000 2.096 1499 Q HA -0.339 4.002 4.340 0.001 0.000 0.218 1499 Q C 1.777 177.770 176.000 -0.012 0.000 1.069 1499 Q CA 2.346 58.100 55.803 -0.080 0.000 0.927 1499 Q CB 0.055 28.754 28.738 -0.064 0.000 1.064 1499 Q HN 0.676 nan 8.270 nan 0.000 0.445 1500 K N -4.380 116.006 120.400 -0.024 0.000 2.960 1500 K HA 0.057 4.377 4.320 0.001 0.000 0.286 1500 K C 0.652 177.261 176.600 0.015 0.000 2.705 1500 K CA 0.887 57.144 56.287 -0.050 0.000 1.481 1500 K CB 0.489 32.979 32.500 -0.017 0.000 2.944 1500 K HN 0.170 nan 8.250 nan 0.000 0.340 1501 S N -0.280 115.455 115.700 0.059 0.000 7.358 1501 S HA -0.103 4.367 4.470 0.001 0.000 0.040 1501 S C -1.657 172.981 174.600 0.064 0.000 1.514 1501 S CA 1.898 60.161 58.200 0.105 0.000 0.982 1501 S CB -1.619 61.685 63.200 0.173 0.000 0.918 1501 S HN 0.733 nan 8.310 nan 0.000 0.538 1506 T N -1.657 112.925 114.554 0.046 0.000 2.788 1506 T HA 0.589 4.939 4.350 0.001 0.000 0.287 1506 T C 1.189 175.897 174.700 0.014 0.000 1.007 1506 T CA 0.173 62.287 62.100 0.024 0.000 1.005 1506 T CB 2.280 71.159 68.868 0.020 0.000 1.012 1506 T HN 0.332 nan 8.240 nan 0.000 0.530 1507 L N 0.172 121.402 121.223 0.013 0.000 1.994 1507 L HA -0.088 4.252 4.340 0.001 0.000 0.208 1507 L C 2.701 179.591 176.870 0.033 0.000 1.071 1507 L CA 1.703 56.560 54.840 0.029 0.000 0.745 1507 L CB -0.436 41.647 42.059 0.040 0.000 0.892 1507 L HN 0.755 nan 8.230 nan 0.000 0.431 1508 E N -0.272 119.936 120.200 0.013 0.000 2.333 1508 E HA -0.190 4.160 4.350 0.001 0.000 0.198 1508 E C 2.008 178.602 176.600 -0.009 0.000 1.007 1508 E CA 0.606 57.004 56.400 -0.003 0.000 0.845 1508 E CB 0.002 29.695 29.700 -0.012 0.000 0.766 1508 E HN 0.436 nan 8.360 nan 0.000 0.507 1509 E N 0.245 120.445 120.200 -0.000 0.000 2.107 1509 E HA -0.080 4.270 4.350 0.001 0.000 0.191 1509 E C 1.948 178.519 176.600 -0.049 0.000 0.982 1509 E CA 0.670 57.071 56.400 0.002 0.000 0.809 1509 E CB 0.017 29.743 29.700 0.044 0.000 0.756 1509 E HN 0.262 nan 8.360 nan 0.000 0.459 1510 R N 0.216 120.667 120.500 -0.081 0.000 2.093 1510 R HA 0.058 4.399 4.340 0.001 0.000 0.224 1510 R C 2.577 178.823 176.300 -0.090 0.000 1.101 1510 R CA 0.392 56.376 56.100 -0.195 0.000 0.979 1510 R CB -0.126 29.951 30.300 -0.373 0.000 0.877 1510 R HN 0.122 nan 8.270 nan 0.000 0.441 1511 L N 0.548 121.801 121.223 0.050 0.000 2.027 1511 L HA -0.176 4.165 4.340 0.001 0.000 0.206 1511 L C 1.325 178.111 176.870 -0.141 0.000 1.074 1511 L CA 1.393 56.229 54.840 -0.006 0.000 0.745 1511 L CB -0.219 41.824 42.059 -0.027 0.000 0.898 1511 L HN 0.088 nan 8.230 nan 0.000 0.433 1512 D N -0.756 119.574 120.400 -0.117 0.000 2.347 1512 D HA -0.098 4.543 4.640 0.001 0.000 0.215 1512 D C 2.018 178.228 176.300 -0.149 0.000 0.976 1512 D CA 0.695 54.623 54.000 -0.120 0.000 0.884 1512 D CB 0.197 40.953 40.800 -0.073 0.000 0.915 1512 D HN 0.127 nan 8.370 nan 0.000 0.526 1513 K N -0.204 120.077 120.400 -0.199 0.000 2.262 1513 K HA 0.206 4.527 4.320 0.001 0.000 0.200 1513 K C 1.568 177.856 176.600 -0.521 0.000 1.049 1513 K CA 0.398 56.566 56.287 -0.198 0.000 0.979 1513 K CB 0.426 32.911 32.500 -0.025 0.000 0.773 1513 K HN -0.003 nan 8.250 nan 0.000 0.474 1514 A N -0.143 122.112 122.820 -0.941 0.000 2.251 1514 A HA 0.002 4.323 4.320 0.001 0.000 0.209 1514 A C 1.570 178.788 177.584 -0.609 0.000 1.187 1514 A CA 0.313 51.562 52.037 -1.314 0.000 0.823 1514 A CB -0.171 17.933 19.000 -1.493 0.000 0.846 1514 A HN 0.285 nan 8.150 nan 0.000 0.486 1515 c N 0.350 118.718 118.600 -0.388 0.000 3.183 1515 c HA 0.230 4.800 4.570 0.001 0.000 0.285 1515 c C 0.698 174.693 174.090 -0.159 0.000 1.313 1515 c CA -0.672 55.516 56.329 -0.235 0.000 1.711 1515 c CB -1.225 41.173 42.510 -0.188 0.000 2.135 1515 c HN 0.564 nan 8.230 nan 0.000 0.651 1516 E N 2.017 122.121 120.200 -0.159 0.000 2.413 1516 E HA 0.015 4.365 4.350 0.001 0.000 0.263 1516 E C -1.485 175.075 176.600 -0.066 0.000 1.015 1516 E CA -0.685 55.663 56.400 -0.086 0.000 0.916 1516 E CB 0.534 30.201 29.700 -0.056 0.000 0.947 1516 E HN 0.181 nan 8.360 nan 0.000 0.440 1517 P HA -0.205 nan 4.420 nan 0.000 0.216 1517 P C 1.239 178.540 177.300 0.001 0.000 1.154 1517 P CA 1.484 64.575 63.100 -0.014 0.000 0.865 1517 P CB 0.091 31.790 31.700 -0.002 0.000 0.789 1518 G N -0.733 108.073 108.800 0.010 0.000 2.471 1518 G HA2 -0.113 3.848 3.960 0.001 0.000 0.219 1518 G HA3 -0.113 3.848 3.960 0.001 0.000 0.219 1518 G C 0.395 175.317 174.900 0.036 0.000 1.125 1518 G CA 0.062 45.184 45.100 0.035 0.000 0.775 1518 G HN 0.196 nan 8.290 nan 0.000 0.548 1519 V N 1.489 121.397 119.914 -0.010 0.000 2.425 1519 V HA 0.051 4.172 4.120 0.001 0.000 0.276 1519 V C 1.141 177.227 176.094 -0.012 0.000 1.017 1519 V CA 0.679 62.949 62.300 -0.051 0.000 1.062 1519 V CB 1.094 32.807 31.823 -0.183 0.000 0.997 1519 V HN 0.370 nan 8.190 nan 0.000 0.476 1520 D N 3.585 124.014 120.400 0.050 0.000 2.262 1520 D HA 0.057 4.698 4.640 0.001 0.000 0.212 1520 D C 0.221 176.664 176.300 0.240 0.000 0.964 1520 D CA 0.503 54.620 54.000 0.195 0.000 0.875 1520 D CB 0.378 41.407 40.800 0.382 0.000 0.996 1520 D HN 0.680 nan 8.370 nan 0.000 0.497 1521 Y N -1.834 118.504 120.300 0.064 0.000 2.504 1521 Y HA 0.650 5.200 4.550 0.001 0.000 0.344 1521 Y C -1.634 174.196 175.900 -0.117 0.000 1.023 1521 Y CA -1.482 56.566 58.100 -0.087 0.000 1.020 1521 Y CB 1.249 39.565 38.460 -0.240 0.000 1.282 1521 Y HN -0.296 nan 8.280 nan 0.000 0.454 1522 V N 4.251 124.131 119.914 -0.057 0.000 2.577 1522 V HA 0.470 4.590 4.120 0.001 0.000 0.303 1522 V C -1.362 174.877 176.094 0.241 0.000 1.042 1522 V CA -0.790 61.581 62.300 0.119 0.000 0.872 1522 V CB 1.117 33.056 31.823 0.193 0.000 0.998 1522 V HN 0.739 nan 8.190 nan 0.000 0.423 1523 Y N 1.966 122.557 120.300 0.485 0.000 2.536 1523 Y HA 0.580 5.130 4.550 0.001 0.000 0.347 1523 Y C 0.085 176.192 175.900 0.345 0.000 1.000 1523 Y CA -1.795 56.525 58.100 0.366 0.000 1.051 1523 Y CB 1.838 40.491 38.460 0.322 0.000 1.259 1523 Y HN 0.500 nan 8.280 nan 0.000 0.468 1524 K N 1.562 122.200 120.400 0.396 0.000 2.183 1524 K HA 0.620 4.941 4.320 0.001 0.000 0.274 1524 K C -0.897 175.780 176.600 0.128 0.000 1.009 1524 K CA -0.293 56.109 56.287 0.192 0.000 0.888 1524 K CB 0.722 33.105 32.500 -0.194 0.000 1.078 1524 K HN 0.888 nan 8.250 nan 0.000 0.459 1525 T N 0.943 115.575 114.554 0.129 0.000 2.906 1525 T HA 0.445 4.795 4.350 0.001 0.000 0.295 1525 T C -0.778 173.944 174.700 0.036 0.000 1.075 1525 T CA -1.066 61.072 62.100 0.062 0.000 1.005 1525 T CB 1.693 70.576 68.868 0.026 0.000 1.136 1525 T HN 0.639 nan 8.240 nan 0.000 0.498 1526 R N 1.473 121.949 120.500 -0.041 0.000 2.439 1526 R HA 0.539 4.879 4.340 0.001 0.000 0.310 1526 R C -1.247 174.998 176.300 -0.091 0.000 0.955 1526 R CA -1.019 54.962 56.100 -0.198 0.000 0.853 1526 R CB 1.083 31.212 30.300 -0.285 0.000 1.171 1526 R HN 0.583 nan 8.270 nan 0.000 0.449 1527 L N 6.204 127.408 121.223 -0.032 0.000 2.456 1527 L HA 0.096 4.436 4.340 0.001 0.000 0.277 1527 L C 0.178 177.051 176.870 0.006 0.000 1.124 1527 L CA 0.580 55.445 54.840 0.043 0.000 0.880 1527 L CB 1.291 43.444 42.059 0.157 0.000 1.192 1527 L HN 0.663 nan 8.230 nan 0.000 0.463 1528 V N 3.980 123.907 119.914 0.022 0.000 2.436 1528 V HA 0.134 4.255 4.120 0.001 0.000 0.240 1528 V C 0.793 176.911 176.094 0.040 0.000 1.040 1528 V CA 0.650 62.960 62.300 0.016 0.000 1.052 1528 V CB -0.290 31.542 31.823 0.014 0.000 0.707 1528 V HN 0.765 nan 8.190 nan 0.000 0.469 1529 K N 0.394 120.834 120.400 0.066 0.000 2.507 1529 K HA 0.514 4.834 4.320 0.001 0.000 0.251 1529 K C -1.744 174.916 176.600 0.100 0.000 0.943 1529 K CA -0.382 55.946 56.287 0.069 0.000 0.794 1529 K CB 2.401 34.930 32.500 0.049 0.000 1.188 1529 K HN 0.024 nan 8.250 nan 0.000 0.428 1530 V N 4.642 124.617 119.914 0.100 0.000 2.383 1530 V HA 0.233 4.354 4.120 0.001 0.000 0.275 1530 V C -0.359 175.735 176.094 0.000 0.000 1.036 1530 V CA -0.422 61.935 62.300 0.096 0.000 0.889 1530 V CB 1.323 33.249 31.823 0.171 0.000 0.985 1530 V HN 0.746 nan 8.190 nan 0.000 0.459 1531 Q N 4.959 124.709 119.800 -0.084 0.000 2.456 1531 Q HA 0.447 4.788 4.340 0.001 0.000 0.252 1531 Q C -1.288 174.646 176.000 -0.110 0.000 1.042 1531 Q CA -0.664 55.096 55.803 -0.070 0.000 0.766 1531 Q CB 1.641 30.352 28.738 -0.045 0.000 1.196 1531 Q HN 0.574 nan 8.270 nan 0.000 0.504 1532 L N 1.669 122.851 121.223 -0.069 0.000 2.349 1532 L HA 0.365 4.705 4.340 0.001 0.000 0.275 1532 L C 0.597 177.447 176.870 -0.033 0.000 1.115 1532 L CA 0.367 55.171 54.840 -0.061 0.000 0.820 1532 L CB 0.920 42.963 42.059 -0.026 0.000 1.135 1532 L HN 0.577 nan 8.230 nan 0.000 0.445 1533 S N 0.597 116.280 115.700 -0.028 0.000 2.903 1533 S HA 0.460 4.930 4.470 0.001 0.000 0.314 1533 S C 0.543 175.138 174.600 -0.008 0.000 1.177 1533 S CA -0.766 57.431 58.200 -0.005 0.000 0.859 1533 S CB 0.779 63.989 63.200 0.016 0.000 1.265 1533 S HN 0.405 nan 8.310 nan 0.000 0.584 1534 N N 2.011 120.714 118.700 0.005 0.000 2.166 1534 N HA -0.012 4.729 4.740 0.001 0.000 0.186 1534 N C 0.915 176.405 175.510 -0.034 0.000 1.019 1534 N CA 2.075 55.122 53.050 -0.004 0.000 0.856 1534 N CB -0.285 38.209 38.487 0.012 0.000 0.993 1534 N HN 0.787 nan 8.380 nan 0.000 0.426 1535 D N -2.306 118.076 120.400 -0.030 0.000 2.559 1535 D HA 0.026 4.667 4.640 0.001 0.000 0.296 1535 D C -0.444 175.648 176.300 -0.346 0.000 1.118 1535 D CA 0.059 53.973 54.000 -0.143 0.000 0.967 1535 D CB -0.094 40.698 40.800 -0.014 0.000 1.607 1535 D HN 0.021 nan 8.370 nan 0.000 0.493 1536 F N 2.090 122.011 119.950 -0.047 0.000 2.507 1536 F HA 0.340 4.868 4.527 0.001 0.000 0.328 1536 F C -0.105 175.646 175.800 -0.082 0.000 1.136 1536 F CA -1.008 56.958 58.000 -0.056 0.000 0.930 1536 F CB 1.828 40.792 39.000 -0.060 0.000 1.166 1536 F HN -0.315 nan 8.300 nan 0.000 0.436 1537 D N 3.414 123.825 120.400 0.018 0.000 2.350 1537 D HA 0.133 4.773 4.640 0.001 0.000 0.249 1537 D C -0.374 175.747 176.300 -0.300 0.000 1.119 1537 D CA 0.073 53.954 54.000 -0.198 0.000 0.886 1537 D CB 1.336 41.944 40.800 -0.320 0.000 1.195 1537 D HN 0.583 nan 8.370 nan 0.000 0.437 1538 E N 1.335 121.330 120.200 -0.342 0.000 2.151 1538 E HA 0.260 4.611 4.350 0.001 0.000 0.275 1538 E C -0.965 175.421 176.600 -0.357 0.000 0.936 1538 E CA -0.652 55.613 56.400 -0.225 0.000 0.777 1538 E CB 1.155 30.828 29.700 -0.046 0.000 1.108 1538 E HN 0.314 nan 8.360 nan 0.000 0.401 1539 Y N 2.385 122.768 120.300 0.137 0.000 2.376 1539 Y HA 0.347 4.898 4.550 0.001 0.000 0.326 1539 Y C -0.064 175.923 175.900 0.144 0.000 0.970 1539 Y CA -0.736 57.424 58.100 0.099 0.000 1.248 1539 Y CB 0.608 39.092 38.460 0.040 0.000 1.117 1539 Y HN 0.388 nan 8.280 nan 0.000 0.476 1540 I N 5.366 126.067 120.570 0.219 0.000 2.308 1540 I HA 0.173 4.344 4.170 0.001 0.000 0.293 1540 I C -0.274 175.922 176.117 0.132 0.000 1.078 1540 I CA -0.082 61.323 61.300 0.175 0.000 1.292 1540 I CB 0.148 38.214 38.000 0.110 0.000 1.423 1540 I HN 0.448 nan 8.210 nan 0.000 0.493 1541 M N 4.888 124.570 119.600 0.136 0.000 2.342 1541 M HA 0.543 5.024 4.480 0.001 0.000 0.332 1541 M C 0.138 176.450 176.300 0.021 0.000 1.166 1541 M CA -0.447 54.874 55.300 0.035 0.000 1.086 1541 M CB 1.357 33.917 32.600 -0.066 0.000 1.541 1541 M HN 0.529 nan 8.290 nan 0.000 0.462 1542 A N 2.338 125.149 122.820 -0.015 0.000 2.312 1542 A HA 0.717 5.037 4.320 0.001 0.000 0.326 1542 A C -0.476 177.072 177.584 -0.059 0.000 1.172 1542 A CA -0.622 51.398 52.037 -0.030 0.000 0.821 1542 A CB 0.409 19.393 19.000 -0.027 0.000 1.166 1542 A HN 0.696 nan 8.150 nan 0.000 0.493 1543 I N 1.723 122.241 120.570 -0.088 0.000 2.352 1543 I HA 0.174 4.344 4.170 0.001 0.000 0.290 1543 I C 1.081 177.156 176.117 -0.071 0.000 1.036 1543 I CA 0.607 61.829 61.300 -0.129 0.000 1.336 1543 I CB 1.082 38.946 38.000 -0.228 0.000 1.407 1543 I HN 0.898 nan 8.210 nan 0.000 0.497 1544 E N 4.764 124.932 120.200 -0.052 0.000 2.244 1544 E HA 0.076 4.426 4.350 0.001 0.000 0.196 1544 E C -0.261 176.316 176.600 -0.038 0.000 0.939 1544 E CA 0.254 56.626 56.400 -0.047 0.000 0.884 1544 E CB 0.454 30.115 29.700 -0.064 0.000 0.850 1544 E HN 0.707 nan 8.360 nan 0.000 0.481 1545 Q N -0.080 119.717 119.800 -0.006 0.000 2.386 1545 Q HA 0.286 4.627 4.340 0.001 0.000 0.274 1545 Q C -1.038 175.054 176.000 0.154 0.000 1.011 1545 Q CA -0.742 55.089 55.803 0.047 0.000 0.867 1545 Q CB 1.193 29.950 28.738 0.032 0.000 1.409 1545 Q HN -0.098 nan 8.270 nan 0.000 0.395 1546 T N 0.076 114.736 114.554 0.176 0.000 3.598 1546 T HA 0.350 4.701 4.350 0.001 0.000 0.343 1546 T C 1.064 175.926 174.700 0.270 0.000 1.697 1546 T CA -0.498 61.794 62.100 0.319 0.000 1.247 1546 T CB -0.650 68.375 68.868 0.261 0.000 1.210 1546 T HN 0.654 nan 8.240 nan 0.000 0.820 1547 I N 0.142 120.882 120.570 0.284 0.000 2.236 1547 I HA -0.120 4.051 4.170 0.001 0.000 0.249 1547 I C 1.387 177.582 176.117 0.130 0.000 1.102 1547 I CA 1.307 62.720 61.300 0.189 0.000 1.365 1547 I CB -0.075 38.067 38.000 0.237 0.000 1.051 1547 I HN 0.473 nan 8.210 nan 0.000 0.420 1548 K N 0.406 120.913 120.400 0.179 0.000 2.535 1548 K HA 0.393 4.714 4.320 0.001 0.000 0.251 1548 K C -1.361 175.370 176.600 0.218 0.000 0.942 1548 K CA -0.361 56.005 56.287 0.131 0.000 0.798 1548 K CB 2.006 34.533 32.500 0.045 0.000 1.267 1548 K HN -0.178 nan 8.250 nan 0.000 0.434 1549 S N 1.126 116.950 115.700 0.207 0.000 2.537 1549 S HA 0.665 5.136 4.470 0.001 0.000 0.301 1549 S C 0.009 174.741 174.600 0.219 0.000 1.092 1549 S CA -0.486 57.875 58.200 0.268 0.000 1.048 1549 S CB 1.767 65.106 63.200 0.231 0.000 1.053 1549 S HN 0.835 nan 8.310 nan 0.000 0.501 1550 G N 1.189 110.151 108.800 0.271 0.000 2.851 1550 G HA2 0.239 4.200 3.960 0.001 0.000 0.208 1550 G HA3 0.239 4.200 3.960 0.001 0.000 0.208 1550 G C 0.964 175.960 174.900 0.161 0.000 1.894 1550 G CA 0.321 45.556 45.100 0.225 0.000 0.732 1550 G HN 0.711 nan 8.290 nan 0.000 0.802 1551 S N -0.619 115.169 115.700 0.146 0.000 2.483 1551 S HA 0.126 4.597 4.470 0.001 0.000 0.221 1551 S C 0.379 174.931 174.600 -0.080 0.000 1.030 1551 S CA 0.663 58.860 58.200 -0.004 0.000 0.925 1551 S CB 0.239 63.386 63.200 -0.088 0.000 0.795 1551 S HN 0.283 nan 8.310 nan 0.000 0.511 1552 D N 2.497 122.883 120.400 -0.024 0.000 2.365 1552 D HA 0.179 4.820 4.640 0.001 0.000 0.237 1552 D C 0.111 176.487 176.300 0.126 0.000 1.190 1552 D CA -0.133 53.873 54.000 0.009 0.000 0.867 1552 D CB 0.603 41.480 40.800 0.128 0.000 1.050 1552 D HN 0.050 nan 8.370 nan 0.000 0.491 1553 E N 2.917 123.155 120.200 0.062 0.000 2.379 1553 E HA 0.004 4.355 4.350 0.001 0.000 0.209 1553 E C 0.045 176.689 176.600 0.073 0.000 1.284 1553 E CA -0.111 56.332 56.400 0.072 0.000 1.333 1553 E CB 0.045 29.766 29.700 0.035 0.000 1.307 1553 E HN 0.305 nan 8.360 nan 0.000 0.441 1554 V N 1.335 121.308 119.914 0.100 0.000 2.617 1554 V HA -0.098 4.022 4.120 0.001 0.000 0.304 1554 V C 0.250 176.365 176.094 0.036 0.000 1.040 1554 V CA 0.518 62.852 62.300 0.056 0.000 1.149 1554 V CB 0.967 32.810 31.823 0.034 0.000 0.914 1554 V HN 0.296 nan 8.190 nan 0.000 0.487 1555 Q N 3.973 123.781 119.800 0.013 0.000 2.214 1555 Q HA 0.449 4.789 4.340 0.001 0.000 0.251 1555 Q C -0.591 175.402 176.000 -0.012 0.000 0.936 1555 Q CA -0.893 54.917 55.803 0.011 0.000 0.894 1555 Q CB 1.902 30.646 28.738 0.011 0.000 1.252 1555 Q HN 0.703 nan 8.270 nan 0.000 0.448 1556 V N 2.991 122.903 119.914 -0.004 0.000 2.450 1556 V HA 0.153 4.274 4.120 0.001 0.000 0.264 1556 V C 0.862 176.944 176.094 -0.020 0.000 0.996 1556 V CA 1.707 63.998 62.300 -0.015 0.000 1.138 1556 V CB -0.490 31.333 31.823 -0.001 0.000 1.051 1556 V HN 1.012 nan 8.190 nan 0.000 0.470 1557 G N 3.817 112.598 108.800 -0.032 0.000 2.330 1557 G HA2 -0.090 3.870 3.960 0.001 0.000 0.125 1557 G HA3 -0.090 3.870 3.960 0.001 0.000 0.125 1557 G C -0.449 174.438 174.900 -0.022 0.000 1.060 1557 G CA -0.498 44.587 45.100 -0.025 0.000 0.743 1557 G HN 0.581 nan 8.290 nan 0.000 0.480 1558 Q N -0.770 119.010 119.800 -0.034 0.000 2.495 1558 Q HA 0.562 4.903 4.340 0.001 0.000 0.287 1558 Q C -0.726 175.258 176.000 -0.028 0.000 1.078 1558 Q CA -0.863 54.926 55.803 -0.023 0.000 0.793 1558 Q CB 1.972 30.700 28.738 -0.016 0.000 1.459 1558 Q HN 0.384 nan 8.270 nan 0.000 0.422 1559 Q N 1.393 121.191 119.800 -0.002 0.000 2.307 1559 Q HA 0.497 4.837 4.340 0.001 0.000 0.262 1559 Q C -0.816 175.211 176.000 0.044 0.000 0.961 1559 Q CA -0.780 55.033 55.803 0.017 0.000 0.882 1559 Q CB 1.593 30.349 28.738 0.030 0.000 1.264 1559 Q HN 0.080 nan 8.270 nan 0.000 0.446 1560 R N 1.243 121.781 120.500 0.063 0.000 2.589 1560 R HA 0.487 4.828 4.340 0.001 0.000 0.293 1560 R C -0.574 175.844 176.300 0.197 0.000 0.963 1560 R CA -0.601 55.560 56.100 0.102 0.000 0.905 1560 R CB 1.791 32.075 30.300 -0.026 0.000 1.144 1560 R HN 0.513 nan 8.270 nan 0.000 0.459 1561 T N 3.178 117.840 114.554 0.180 0.000 2.845 1561 T HA 0.497 4.848 4.350 0.001 0.000 0.288 1561 T C -0.419 174.406 174.700 0.208 0.000 0.980 1561 T CA 0.028 62.263 62.100 0.226 0.000 1.071 1561 T CB 0.276 69.238 68.868 0.157 0.000 0.941 1561 T HN 0.162 nan 8.240 nan 0.000 0.487 1562 F N 2.270 122.326 119.950 0.176 0.000 2.495 1562 F HA 0.624 5.152 4.527 0.001 0.000 0.327 1562 F C 0.134 176.076 175.800 0.238 0.000 1.103 1562 F CA -1.229 56.909 58.000 0.229 0.000 0.949 1562 F CB 1.257 40.379 39.000 0.203 0.000 1.142 1562 F HN 0.330 nan 8.300 nan 0.000 0.457 1563 I N 1.944 122.721 120.570 0.345 0.000 2.465 1563 I HA 0.482 4.653 4.170 0.001 0.000 0.291 1563 I C -0.515 175.800 176.117 0.332 0.000 1.014 1563 I CA -0.477 60.973 61.300 0.251 0.000 1.093 1563 I CB 2.085 40.136 38.000 0.086 0.000 1.267 1563 I HN 0.453 nan 8.210 nan 0.000 0.431 1564 S N 6.333 122.257 115.700 0.373 0.000 2.540 1564 S HA 0.615 5.085 4.470 0.001 0.000 0.275 1564 S C -2.744 171.979 174.600 0.204 0.000 1.123 1564 S CA -1.446 56.963 58.200 0.348 0.000 0.907 1564 S CB 2.058 65.484 63.200 0.376 0.000 1.081 1564 S HN 0.173 nan 8.310 nan 0.000 0.476 1565 P HA 0.194 nan 4.420 nan 0.000 0.268 1565 P C 0.813 177.970 177.300 -0.238 0.000 1.208 1565 P CA -0.132 62.675 63.100 -0.489 0.000 0.777 1565 P CB 0.371 31.831 31.700 -0.401 0.000 0.875 1566 I N 2.219 122.619 120.570 -0.284 0.000 2.493 1566 I HA -0.236 3.934 4.170 0.001 0.000 0.254 1566 I C 1.989 178.060 176.117 -0.077 0.000 1.160 1566 I CA 1.321 62.538 61.300 -0.137 0.000 1.445 1566 I CB -0.070 37.850 38.000 -0.134 0.000 1.086 1566 I HN 0.378 nan 8.210 nan 0.000 0.433 1567 K N -0.171 120.170 120.400 -0.099 0.000 2.283 1567 K HA -0.131 4.189 4.320 0.001 0.000 0.202 1567 K C 1.709 178.290 176.600 -0.032 0.000 1.048 1567 K CA 1.466 57.721 56.287 -0.055 0.000 0.948 1567 K CB -0.503 31.958 32.500 -0.064 0.000 0.742 1567 K HN 0.350 nan 8.250 nan 0.000 0.458 1568 c N 0.942 119.529 118.600 -0.022 0.000 2.618 1568 c HA 0.217 4.787 4.570 0.001 0.000 0.264 1568 c C 2.500 176.640 174.090 0.084 0.000 1.334 1568 c CA -0.343 56.002 56.329 0.027 0.000 1.731 1568 c CB -1.081 41.460 42.510 0.052 0.000 1.852 1568 c HN 0.578 nan 8.230 nan 0.000 0.566 1569 R N 1.806 122.350 120.500 0.074 0.000 2.112 1569 R HA -0.196 4.145 4.340 0.001 0.000 0.242 1569 R C 2.098 178.442 176.300 0.074 0.000 1.137 1569 R CA 1.822 57.986 56.100 0.106 0.000 0.944 1569 R CB -0.242 30.104 30.300 0.077 0.000 0.857 1569 R HN 0.550 nan 8.270 nan 0.000 0.435 1570 E N -1.139 119.089 120.200 0.047 0.000 2.442 1570 E HA -0.006 4.345 4.350 0.001 0.000 0.195 1570 E C 1.396 178.020 176.600 0.040 0.000 1.030 1570 E CA 0.496 56.915 56.400 0.031 0.000 0.869 1570 E CB 0.304 30.015 29.700 0.018 0.000 0.857 1570 E HN 0.491 nan 8.360 nan 0.000 0.505 1571 A N 0.625 123.489 122.820 0.073 0.000 1.930 1571 A HA -0.049 4.272 4.320 0.001 0.000 0.215 1571 A C 2.036 179.771 177.584 0.252 0.000 1.176 1571 A CA 0.571 52.698 52.037 0.150 0.000 0.632 1571 A CB -0.268 18.789 19.000 0.095 0.000 0.819 1571 A HN 0.214 nan 8.150 nan 0.000 0.445 1572 L N -0.849 120.482 121.223 0.179 0.000 2.131 1572 L HA -0.081 4.259 4.340 0.001 0.000 0.206 1572 L C 0.672 177.444 176.870 -0.164 0.000 1.087 1572 L CA 1.017 55.813 54.840 -0.075 0.000 0.767 1572 L CB -0.370 41.616 42.059 -0.121 0.000 0.917 1572 L HN 0.520 nan 8.230 nan 0.000 0.441 1573 K N 0.782 121.142 120.400 -0.067 0.000 3.834 1573 K HA -0.214 4.107 4.320 0.001 0.000 0.276 1573 K C -0.729 175.823 176.600 -0.079 0.000 0.850 1573 K CA 0.889 57.145 56.287 -0.051 0.000 0.704 1573 K CB -2.586 29.894 32.500 -0.033 0.000 1.644 1573 K HN 0.227 nan 8.250 nan 0.000 0.440 1574 L N 0.616 121.742 121.223 -0.162 0.000 2.349 1574 L HA 0.336 4.676 4.340 0.001 0.000 0.275 1574 L C 0.719 177.599 176.870 0.018 0.000 1.115 1574 L CA -0.291 54.434 54.840 -0.192 0.000 0.820 1574 L CB 1.097 42.763 42.059 -0.654 0.000 1.135 1574 L HN 0.493 nan 8.230 nan 0.000 0.445 1575 E N 2.033 122.317 120.200 0.139 0.000 2.238 1575 E HA 0.265 4.615 4.350 0.001 0.000 0.267 1575 E C -0.956 175.722 176.600 0.129 0.000 0.887 1575 E CA -0.749 55.722 56.400 0.117 0.000 0.769 1575 E CB 1.744 31.497 29.700 0.088 0.000 1.187 1575 E HN 0.522 nan 8.360 nan 0.000 0.416 1576 E N 2.307 122.561 120.200 0.090 0.000 2.437 1576 E HA -0.043 4.308 4.350 0.001 0.000 0.263 1576 E C -0.040 176.571 176.600 0.019 0.000 1.030 1576 E CA 0.542 56.978 56.400 0.060 0.000 0.934 1576 E CB 0.569 30.299 29.700 0.050 0.000 0.943 1576 E HN 0.563 nan 8.360 nan 0.000 0.444 1577 K N -0.093 120.286 120.400 -0.034 0.000 3.578 1577 K HA -0.193 4.128 4.320 0.001 0.000 0.270 1577 K C -0.190 176.276 176.600 -0.223 0.000 1.003 1577 K CA 1.235 57.462 56.287 -0.100 0.000 1.128 1577 K CB -0.763 31.715 32.500 -0.035 0.000 1.341 1577 K HN 0.390 nan 8.250 nan 0.000 0.499 1578 K N 1.310 121.613 120.400 -0.162 0.000 2.138 1578 K HA 0.198 4.518 4.320 0.001 0.000 0.251 1578 K C 0.052 176.283 176.600 -0.615 0.000 1.015 1578 K CA -0.119 56.002 56.287 -0.278 0.000 0.917 1578 K CB 0.396 32.798 32.500 -0.164 0.000 1.021 1578 K HN 0.149 nan 8.250 nan 0.000 0.485 1579 H N 0.760 119.476 119.070 -0.590 0.000 2.529 1579 H HA 0.330 4.887 4.556 0.001 0.000 0.348 1579 H C -0.989 173.887 175.328 -0.753 0.000 1.152 1579 H CA -0.492 55.254 56.048 -0.502 0.000 1.202 1579 H CB 1.192 30.738 29.762 -0.360 0.000 1.562 1579 H HN 0.435 nan 8.280 nan 0.000 0.515 1580 Y N 0.577 120.951 120.300 0.124 0.000 2.504 1580 Y HA 0.174 4.724 4.550 0.001 0.000 0.344 1580 Y C -0.514 175.560 175.900 0.290 0.000 1.023 1580 Y CA -0.916 57.263 58.100 0.132 0.000 1.020 1580 Y CB 1.826 40.258 38.460 -0.046 0.000 1.282 1580 Y HN 0.383 nan 8.280 nan 0.000 0.454 1581 L N 4.508 126.044 121.223 0.521 0.000 2.265 1581 L HA 0.648 4.988 4.340 0.001 0.000 0.288 1581 L C -1.083 175.995 176.870 0.346 0.000 1.058 1581 L CA -0.129 55.026 54.840 0.524 0.000 0.809 1581 L CB 0.177 42.483 42.059 0.412 0.000 1.179 1581 L HN 0.634 nan 8.230 nan 0.000 0.429 1582 M N 5.645 125.464 119.600 0.365 0.000 2.393 1582 M HA 0.496 4.977 4.480 0.001 0.000 0.299 1582 M C -1.605 174.905 176.300 0.350 0.000 1.103 1582 M CA -0.426 55.033 55.300 0.264 0.000 0.910 1582 M CB 1.986 34.704 32.600 0.196 0.000 1.659 1582 M HN 0.743 nan 8.290 nan 0.000 0.445 1583 W N 1.454 122.833 121.300 0.132 0.000 3.167 1583 W HA 0.937 5.597 4.660 0.001 0.000 0.324 1583 W C -1.117 175.198 176.519 -0.340 0.000 1.230 1583 W CA -0.913 56.273 57.345 -0.264 0.000 1.184 1583 W CB 0.733 30.091 29.460 -0.170 0.000 1.414 1583 W HN 0.883 nan 8.180 nan 0.000 0.551 1584 G N 0.907 109.427 108.800 -0.467 0.000 2.428 1584 G HA2 0.507 4.468 3.960 0.001 0.000 0.304 1584 G HA3 0.507 4.468 3.960 0.001 0.000 0.304 1584 G C -1.966 172.829 174.900 -0.175 0.000 1.303 1584 G CA -1.215 43.771 45.100 -0.190 0.000 0.825 1584 G HN 0.791 nan 8.290 nan 0.000 0.484 1585 L N 0.427 121.689 121.223 0.065 0.000 2.416 1585 L HA 0.363 4.704 4.340 0.001 0.000 0.262 1585 L C 1.780 178.737 176.870 0.145 0.000 1.093 1585 L CA -0.475 54.430 54.840 0.107 0.000 0.801 1585 L CB 1.749 43.868 42.059 0.101 0.000 1.191 1585 L HN 0.698 nan 8.230 nan 0.000 0.459 1586 S N -1.593 114.241 115.700 0.223 0.000 2.489 1586 S HA -0.105 4.366 4.470 0.001 0.000 0.228 1586 S C 1.506 176.303 174.600 0.328 0.000 0.995 1586 S CA 0.573 59.013 58.200 0.399 0.000 0.934 1586 S CB -0.249 63.181 63.200 0.383 0.000 0.771 1586 S HN 0.771 nan 8.310 nan 0.000 0.522 1587 S N 0.897 116.702 115.700 0.174 0.000 2.603 1587 S HA 0.099 4.569 4.470 0.001 0.000 0.220 1587 S C 0.238 174.900 174.600 0.103 0.000 0.967 1587 S CA 0.136 58.420 58.200 0.141 0.000 0.920 1587 S CB -0.238 63.024 63.200 0.103 0.000 0.773 1587 S HN 0.294 nan 8.310 nan 0.000 0.529 1588 D N 0.407 120.821 120.400 0.023 0.000 2.363 1588 D HA 0.316 4.957 4.640 0.001 0.000 0.214 1588 D C -0.709 175.493 176.300 -0.163 0.000 1.093 1588 D CA -0.275 53.699 54.000 -0.044 0.000 0.837 1588 D CB -0.091 40.700 40.800 -0.016 0.000 0.948 1588 D HN 0.362 nan 8.370 nan 0.000 0.507 1589 F N 0.847 120.769 119.950 -0.047 0.000 2.495 1589 F HA 0.178 4.705 4.527 0.001 0.000 0.365 1589 F C 0.504 176.342 175.800 0.062 0.000 1.090 1589 F CA -0.474 57.439 58.000 -0.145 0.000 1.235 1589 F CB 0.590 39.464 39.000 -0.211 0.000 1.119 1589 F HN -0.023 nan 8.300 nan 0.000 0.562 1590 W N 5.439 126.733 121.300 -0.010 0.000 2.362 1590 W HA 0.522 5.182 4.660 0.001 0.000 0.316 1590 W C -0.197 176.305 176.519 -0.029 0.000 1.024 1590 W CA -0.474 56.850 57.345 -0.035 0.000 1.270 1590 W CB 1.412 30.822 29.460 -0.083 0.000 1.273 1590 W HN 0.787 nan 8.180 nan 0.000 0.424 1591 G N 3.289 111.732 108.800 -0.594 0.000 2.423 1591 G HA2 -0.182 3.779 3.960 0.001 0.000 0.684 1591 G HA3 -0.182 3.779 3.960 0.001 0.000 0.684 1591 G C -1.279 173.439 174.900 -0.304 0.000 1.309 1591 G CA -0.984 43.794 45.100 -0.537 0.000 0.950 1591 G HN 0.591 nan 8.290 nan 0.000 0.587 1592 E N -0.421 119.627 120.200 -0.254 0.000 2.369 1592 E HA 0.406 4.757 4.350 0.001 0.000 0.255 1592 E C 1.408 177.917 176.600 -0.152 0.000 1.172 1592 E CA -0.539 55.752 56.400 -0.182 0.000 0.932 1592 E CB 0.479 30.087 29.700 -0.154 0.000 1.040 1592 E HN 0.420 nan 8.360 nan 0.000 0.454 1593 K N 1.353 121.669 120.400 -0.140 0.000 2.365 1593 K HA -0.043 4.277 4.320 0.001 0.000 0.199 1593 K C -1.022 175.517 176.600 -0.101 0.000 1.045 1593 K CA 0.645 56.848 56.287 -0.140 0.000 0.962 1593 K CB -0.543 31.872 32.500 -0.141 0.000 0.759 1593 K HN 0.402 nan 8.250 nan 0.000 0.469 1594 P HA -0.086 nan 4.420 nan 0.000 0.214 1594 P C -0.468 176.801 177.300 -0.052 0.000 1.162 1594 P CA 1.177 64.240 63.100 -0.061 0.000 0.874 1594 P CB 0.132 31.798 31.700 -0.056 0.000 0.784 1595 N N -0.484 118.178 118.700 -0.064 0.000 2.898 1595 N HA 0.300 5.040 4.740 0.001 0.000 0.245 1595 N C -0.666 174.810 175.510 -0.056 0.000 1.185 1595 N CA -0.246 52.776 53.050 -0.047 0.000 0.879 1595 N CB 0.388 38.847 38.487 -0.047 0.000 1.157 1595 N HN -0.031 nan 8.380 nan 0.000 0.503 1596 L N 0.427 121.634 121.223 -0.027 0.000 2.456 1596 L HA 0.515 4.855 4.340 0.001 0.000 0.257 1596 L C 0.363 177.276 176.870 0.071 0.000 1.162 1596 L CA -0.066 54.770 54.840 -0.007 0.000 0.808 1596 L CB 1.061 43.114 42.059 -0.009 0.000 1.136 1596 L HN 0.327 nan 8.230 nan 0.000 0.466 1597 S N -1.090 114.668 115.700 0.097 0.000 2.579 1597 S HA 0.551 5.022 4.470 0.001 0.000 0.272 1597 S C -1.657 172.981 174.600 0.063 0.000 1.141 1597 S CA -0.567 57.725 58.200 0.155 0.000 0.843 1597 S CB 1.489 64.797 63.200 0.180 0.000 1.122 1597 S HN 0.200 nan 8.310 nan 0.000 0.468 1598 Y N 1.470 121.606 120.300 -0.272 0.000 2.331 1598 Y HA 0.499 5.050 4.550 0.001 0.000 0.338 1598 Y C 0.030 175.806 175.900 -0.206 0.000 0.992 1598 Y CA -1.078 56.738 58.100 -0.473 0.000 1.121 1598 Y CB 0.657 38.334 38.460 -1.305 0.000 1.184 1598 Y HN 0.388 nan 8.280 nan 0.000 0.469 1599 I N 5.208 125.793 120.570 0.025 0.000 2.371 1599 I HA 0.167 4.338 4.170 0.001 0.000 0.290 1599 I C 0.183 176.415 176.117 0.191 0.000 1.028 1599 I CA -0.926 60.423 61.300 0.081 0.000 1.345 1599 I CB 0.399 38.395 38.000 -0.007 0.000 1.407 1599 I HN 0.502 nan 8.210 nan 0.000 0.501 1600 I N 6.183 126.918 120.570 0.274 0.000 2.363 1600 I HA 0.430 4.601 4.170 0.001 0.000 0.292 1600 I C 0.902 177.134 176.117 0.193 0.000 1.075 1600 I CA 0.235 61.706 61.300 0.286 0.000 1.333 1600 I CB 0.700 38.883 38.000 0.305 0.000 1.415 1600 I HN 0.734 nan 8.210 nan 0.000 0.502 1601 G N 4.879 113.772 108.800 0.155 0.000 3.166 1601 G HA2 0.288 4.248 3.960 0.001 0.000 0.267 1601 G HA3 0.288 4.248 3.960 0.001 0.000 0.267 1601 G C 0.378 175.323 174.900 0.075 0.000 1.256 1601 G CA -0.605 44.552 45.100 0.094 0.000 0.859 1601 G HN 0.628 nan 8.290 nan 0.000 0.590 1602 K N -0.658 119.766 120.400 0.040 0.000 2.442 1602 K HA 0.040 4.360 4.320 0.001 0.000 0.198 1602 K C 0.111 176.755 176.600 0.073 0.000 1.044 1602 K CA 1.565 57.868 56.287 0.027 0.000 0.948 1602 K CB 0.246 32.751 32.500 0.009 0.000 0.762 1602 K HN 0.203 nan 8.250 nan 0.000 0.472 1603 D N 1.080 121.540 120.400 0.100 0.000 2.440 1603 D HA 0.055 4.696 4.640 0.001 0.000 0.216 1603 D C -0.535 175.863 176.300 0.164 0.000 1.150 1603 D CA 0.157 54.238 54.000 0.136 0.000 0.832 1603 D CB 1.000 41.870 40.800 0.118 0.000 0.992 1603 D HN 0.092 nan 8.370 nan 0.000 0.502 1604 T N 0.869 115.509 114.554 0.144 0.000 2.758 1604 T HA 0.122 4.473 4.350 0.001 0.000 0.285 1604 T C -0.373 174.349 174.700 0.038 0.000 0.981 1604 T CA -0.665 61.514 62.100 0.132 0.000 0.965 1604 T CB 1.680 70.669 68.868 0.202 0.000 0.927 1604 T HN 0.074 nan 8.240 nan 0.000 0.448 1605 W N 4.910 125.953 121.300 -0.427 0.000 2.338 1605 W HA 0.538 5.199 4.660 0.001 0.000 0.307 1605 W C -1.635 174.565 176.519 -0.532 0.000 1.167 1605 W CA -0.686 56.221 57.345 -0.730 0.000 1.208 1605 W CB 0.709 29.008 29.460 -1.936 0.000 1.228 1605 W HN 0.307 nan 8.180 nan 0.000 0.499 1606 V N 5.891 125.362 119.914 -0.739 0.000 2.483 1606 V HA 0.300 4.420 4.120 0.001 0.000 0.297 1606 V C -0.646 175.008 176.094 -0.733 0.000 1.027 1606 V CA -0.791 61.153 62.300 -0.593 0.000 0.855 1606 V CB 1.679 33.130 31.823 -0.621 0.000 0.995 1606 V HN 0.553 nan 8.190 nan 0.000 0.424 1607 E N 2.263 122.279 120.200 -0.307 0.000 2.275 1607 E HA 0.410 4.761 4.350 0.001 0.000 0.270 1607 E C -1.030 175.659 176.600 0.148 0.000 0.882 1607 E CA -0.892 55.412 56.400 -0.159 0.000 0.758 1607 E CB 1.600 31.284 29.700 -0.027 0.000 1.195 1607 E HN 0.870 nan 8.360 nan 0.000 0.419 1608 H N 4.001 123.105 119.070 0.058 0.000 3.004 1608 H HA 0.018 4.574 4.556 0.001 0.000 0.316 1608 H C -1.264 174.077 175.328 0.021 0.000 1.014 1608 H CA 0.332 56.410 56.048 0.050 0.000 1.454 1608 H CB 0.447 30.207 29.762 -0.002 0.000 1.472 1608 H HN 0.334 nan 8.280 nan 0.000 0.571 1609 W N 9.382 130.274 121.300 -0.680 0.000 2.299 1609 W HA 0.296 4.956 4.660 0.001 0.000 0.319 1609 W C -2.797 173.333 176.519 -0.649 0.000 1.008 1609 W CA -3.136 53.927 57.345 -0.470 0.000 1.384 1609 W CB 0.794 30.121 29.460 -0.222 0.000 1.220 1609 W HN 0.627 nan 8.180 nan 0.000 0.402 1610 P HA 0.011 nan 4.420 nan 0.000 0.269 1610 P C -0.350 176.982 177.300 0.053 0.000 1.215 1610 P CA 0.327 63.398 63.100 -0.050 0.000 0.780 1610 P CB 1.010 32.758 31.700 0.080 0.000 0.898 1611 E N 0.509 120.710 120.200 0.003 0.000 2.408 1611 E HA -0.016 4.335 4.350 0.001 0.000 0.259 1611 E C 1.219 177.811 176.600 -0.013 0.000 1.110 1611 E CA 0.016 56.380 56.400 -0.060 0.000 0.929 1611 E CB 0.150 29.832 29.700 -0.030 0.000 0.971 1611 E HN 0.417 nan 8.360 nan 0.000 0.438 1612 E N 1.389 121.563 120.200 -0.043 0.000 2.130 1612 E HA -0.222 4.128 4.350 0.001 0.000 0.196 1612 E C 0.769 177.373 176.600 0.006 0.000 0.998 1612 E CA 1.697 58.092 56.400 -0.009 0.000 0.806 1612 E CB 0.010 29.692 29.700 -0.029 0.000 0.738 1612 E HN 0.587 nan 8.360 nan 0.000 0.459 1613 D N -0.747 119.653 120.400 0.001 0.000 2.323 1613 D HA -0.064 4.577 4.640 0.001 0.000 0.239 1613 D C 0.477 176.788 176.300 0.019 0.000 1.129 1613 D CA 0.334 54.339 54.000 0.009 0.000 0.865 1613 D CB 0.121 40.925 40.800 0.006 0.000 0.913 1613 D HN 0.349 nan 8.370 nan 0.000 0.517 1614 E N -1.283 118.934 120.200 0.027 0.000 2.639 1614 E HA 0.141 4.491 4.350 0.001 0.000 0.225 1614 E C 0.977 177.602 176.600 0.041 0.000 0.921 1614 E CA -0.119 56.304 56.400 0.038 0.000 1.184 1614 E CB 0.411 30.145 29.700 0.055 0.000 1.160 1614 E HN 0.170 nan 8.360 nan 0.000 0.547 1615 c N 1.780 120.405 118.600 0.041 0.000 2.514 1615 c HA 0.022 4.592 4.570 0.001 0.000 0.271 1615 c C 2.194 176.300 174.090 0.028 0.000 1.399 1615 c CA 0.190 56.542 56.329 0.039 0.000 1.765 1615 c CB -0.282 42.259 42.510 0.051 0.000 1.893 1615 c HN 0.412 nan 8.230 nan 0.000 0.531 1616 Q N 1.261 121.075 119.800 0.025 0.000 2.172 1616 Q HA -0.040 4.301 4.340 0.001 0.000 0.200 1616 Q C 0.628 176.638 176.000 0.017 0.000 0.964 1616 Q CA 0.899 56.713 55.803 0.019 0.000 0.855 1616 Q CB -0.637 28.111 28.738 0.016 0.000 0.918 1616 Q HN 0.723 nan 8.270 nan 0.000 0.444 1617 D N 1.907 122.318 120.400 0.018 0.000 2.493 1617 D HA -0.082 4.559 4.640 0.001 0.000 0.240 1617 D C 1.113 177.421 176.300 0.014 0.000 1.142 1617 D CA 0.202 54.211 54.000 0.016 0.000 0.872 1617 D CB 0.754 41.565 40.800 0.019 0.000 1.173 1617 D HN 0.164 nan 8.370 nan 0.000 0.467 1618 E N 2.667 122.873 120.200 0.010 0.000 2.204 1618 E HA -0.227 4.124 4.350 0.001 0.000 0.195 1618 E C 1.041 177.645 176.600 0.006 0.000 0.990 1618 E CA 0.920 57.325 56.400 0.008 0.000 0.821 1618 E CB -0.179 29.525 29.700 0.006 0.000 0.750 1618 E HN 0.682 nan 8.360 nan 0.000 0.477 1619 E N 1.031 121.235 120.200 0.007 0.000 2.152 1619 E HA -0.057 4.294 4.350 0.001 0.000 0.192 1619 E C 0.576 177.180 176.600 0.007 0.000 0.983 1619 E CA 0.701 57.104 56.400 0.004 0.000 0.818 1619 E CB -0.086 29.615 29.700 0.002 0.000 0.758 1619 E HN 0.311 nan 8.360 nan 0.000 0.467 1620 N N 1.092 119.800 118.700 0.014 0.000 2.558 1620 N HA 0.066 4.807 4.740 0.001 0.000 0.281 1620 N C -0.288 175.228 175.510 0.011 0.000 1.219 1620 N CA -0.256 52.805 53.050 0.018 0.000 0.942 1620 N CB 0.550 39.060 38.487 0.038 0.000 1.241 1620 N HN 0.092 nan 8.380 nan 0.000 0.511 1621 Q N 0.311 120.114 119.800 0.006 0.000 2.247 1621 Q HA 0.212 4.553 4.340 0.001 0.000 0.184 1621 Q C 0.619 176.617 176.000 -0.004 0.000 1.067 1621 Q CA -0.329 55.476 55.803 0.003 0.000 1.115 1621 Q CB 0.809 29.549 28.738 0.005 0.000 1.147 1621 Q HN 0.117 nan 8.270 nan 0.000 0.599 1622 K N -0.549 119.849 120.400 -0.004 0.000 10.859 1622 K HA -0.439 3.881 4.320 0.001 0.000 0.526 1622 K C 1.659 178.243 176.600 -0.026 0.000 0.383 1622 K CA 2.254 58.535 56.287 -0.009 0.000 1.942 1622 K CB -1.008 31.487 32.500 -0.007 0.000 0.770 1622 K HN 0.662 nan 8.250 nan 0.000 1.211 1623 Q N 0.664 120.441 119.800 -0.038 0.000 2.077 1623 Q HA -0.214 4.126 4.340 0.001 0.000 0.206 1623 Q C 2.111 178.033 176.000 -0.130 0.000 0.989 1623 Q CA 2.445 58.201 55.803 -0.079 0.000 0.853 1623 Q CB -0.120 28.575 28.738 -0.071 0.000 0.907 1623 Q HN 0.679 nan 8.270 nan 0.000 0.418 1624 c N 0.471 119.016 118.600 -0.091 0.000 2.457 1624 c HA -0.079 4.492 4.570 0.001 0.000 0.278 1624 c C 2.549 176.619 174.090 -0.033 0.000 1.309 1624 c CA 0.653 56.933 56.329 -0.082 0.000 1.735 1624 c CB -0.752 41.758 42.510 0.001 0.000 1.992 1624 c HN 0.592 nan 8.230 nan 0.000 0.493 1625 Q N 0.552 120.345 119.800 -0.012 0.000 2.167 1625 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 1625 Q C 1.493 177.499 176.000 0.010 0.000 0.970 1625 Q CA 1.355 57.165 55.803 0.013 0.000 0.855 1625 Q CB -0.209 28.538 28.738 0.014 0.000 0.911 1625 Q HN 0.637 nan 8.270 nan 0.000 0.438 1626 D N 0.813 121.201 120.400 -0.021 0.000 2.123 1626 D HA -0.079 4.561 4.640 0.001 0.000 0.200 1626 D C 1.889 178.174 176.300 -0.026 0.000 0.976 1626 D CA 0.828 54.819 54.000 -0.016 0.000 0.831 1626 D CB -0.112 40.663 40.800 -0.041 0.000 0.974 1626 D HN 0.131 nan 8.370 nan 0.000 0.469 1627 L N 0.339 121.463 121.223 -0.165 0.000 2.083 1627 L HA -0.045 4.296 4.340 0.001 0.000 0.209 1627 L C 2.463 179.326 176.870 -0.012 0.000 1.083 1627 L CA 1.353 55.992 54.840 -0.335 0.000 0.752 1627 L CB -0.593 40.884 42.059 -0.970 0.000 0.899 1627 L HN 0.098 nan 8.230 nan 0.000 0.433 1628 G N -0.552 108.297 108.800 0.081 0.000 2.414 1628 G HA2 -0.206 3.754 3.960 0.001 0.000 0.215 1628 G HA3 -0.206 3.754 3.960 0.001 0.000 0.215 1628 G C 1.780 176.776 174.900 0.160 0.000 1.188 1628 G CA 0.725 45.935 45.100 0.184 0.000 0.783 1628 G HN 0.441 nan 8.290 nan 0.000 0.537 1629 A N 0.444 123.336 122.820 0.120 0.000 1.902 1629 A HA 0.041 4.362 4.320 0.001 0.000 0.217 1629 A C 2.175 179.836 177.584 0.129 0.000 1.181 1629 A CA 1.643 53.745 52.037 0.108 0.000 0.623 1629 A CB -0.631 18.419 19.000 0.082 0.000 0.818 1629 A HN 0.419 nan 8.150 nan 0.000 0.443 1630 F N 1.630 121.585 119.950 0.008 0.000 2.091 1630 F HA -0.226 4.301 4.527 0.001 0.000 0.299 1630 F C 2.439 178.271 175.800 0.053 0.000 1.103 1630 F CA 2.516 60.516 58.000 0.001 0.000 1.228 1630 F CB -0.741 38.237 39.000 -0.036 0.000 0.984 1630 F HN 0.223 nan 8.300 nan 0.000 0.477 1631 T N -0.017 114.625 114.554 0.147 0.000 2.777 1631 T HA -0.176 4.175 4.350 0.001 0.000 0.266 1631 T C 1.698 176.409 174.700 0.018 0.000 1.040 1631 T CA 1.625 63.789 62.100 0.108 0.000 1.141 1631 T CB -0.365 68.722 68.868 0.365 0.000 0.868 1631 T HN 0.389 nan 8.240 nan 0.000 0.444 1632 E N 1.011 121.244 120.200 0.055 0.000 2.038 1632 E HA -0.151 4.199 4.350 0.001 0.000 0.195 1632 E C 2.494 179.113 176.600 0.032 0.000 1.000 1632 E CA 1.411 57.837 56.400 0.043 0.000 0.803 1632 E CB -0.248 29.494 29.700 0.069 0.000 0.750 1632 E HN 0.354 nan 8.360 nan 0.000 0.448 1633 S N -0.052 115.669 115.700 0.035 0.000 2.370 1633 S HA -0.176 4.295 4.470 0.001 0.000 0.226 1633 S C 1.952 176.554 174.600 0.002 0.000 1.033 1633 S CA 1.170 59.432 58.200 0.103 0.000 1.011 1633 S CB -0.038 63.160 63.200 -0.005 0.000 0.852 1633 S HN 0.131 nan 8.310 nan 0.000 0.457 1634 M N 0.729 120.213 119.600 -0.193 0.000 2.132 1634 M HA 0.032 4.512 4.480 0.001 0.000 0.263 1634 M C 2.227 178.471 176.300 -0.093 0.000 1.065 1634 M CA 1.010 56.179 55.300 -0.218 0.000 1.122 1634 M CB -1.397 30.957 32.600 -0.410 0.000 1.365 1634 M HN 0.228 nan 8.290 nan 0.000 0.411 1635 V N -0.444 119.432 119.914 -0.062 0.000 2.667 1635 V HA -0.120 4.000 4.120 0.001 0.000 0.252 1635 V C 2.305 178.369 176.094 -0.051 0.000 1.065 1635 V CA 0.921 63.202 62.300 -0.031 0.000 1.083 1635 V CB -0.123 31.696 31.823 -0.006 0.000 0.692 1635 V HN 0.198 nan 8.190 nan 0.000 0.468 1636 V N -2.031 117.838 119.914 -0.075 0.000 2.721 1636 V HA 0.102 4.222 4.120 0.001 0.000 0.236 1636 V C 1.823 177.779 176.094 -0.230 0.000 1.116 1636 V CA 1.124 63.312 62.300 -0.186 0.000 1.148 1636 V CB -0.319 31.330 31.823 -0.289 0.000 0.886 1636 V HN 0.406 nan 8.190 nan 0.000 0.490 1637 F N 0.676 120.589 119.950 -0.062 0.000 2.416 1637 F HA 0.430 4.958 4.527 0.001 0.000 0.296 1637 F C 1.805 177.563 175.800 -0.069 0.000 1.099 1637 F CA 1.067 59.030 58.000 -0.061 0.000 1.427 1637 F CB -0.285 38.675 39.000 -0.068 0.000 1.079 1637 F HN 0.343 nan 8.300 nan 0.000 0.536 1638 G N -0.100 108.749 108.800 0.082 0.000 2.552 1638 G HA2 -0.299 3.662 3.960 0.001 0.000 0.265 1638 G HA3 -0.299 3.662 3.960 0.001 0.000 0.265 1638 G C -0.551 174.339 174.900 -0.017 0.000 1.234 1638 G CA -0.505 44.598 45.100 0.005 0.000 0.944 1638 G HN 0.348 nan 8.290 nan 0.000 0.568 1639 c N 2.088 120.666 118.600 -0.037 0.000 2.358 1639 c HA 0.760 5.331 4.570 0.001 0.000 0.354 1639 c C -0.700 173.368 174.090 -0.036 0.000 1.183 1639 c CA -0.341 55.952 56.329 -0.061 0.000 2.150 1639 c CB 0.480 42.941 42.510 -0.081 0.000 2.361 1639 c HN 0.951 nan 8.230 nan 0.000 0.535 1640 P HA 0.000 nan 4.420 nan 0.000 0.216 1640 P CA 0.000 63.077 63.100 -0.039 0.000 0.800 1640 P CB 0.000 31.672 31.700 -0.047 0.000 0.726