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 2a74_1_C 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 NcFIQKXXDK VTLEERLDKA cEPGVDYVYK TRLVKVQLSN DATA SEQUENCE DFDEYIMAIE QTIKSGSDEV QVGQQRTFIS PIKcREALKL EEKKHYLMWG DATA SEQUENCE LSSDFWGEKP NLSYIIGKDT WVEHWPEEDE cQDEENQKQc QDLGAFTESM DATA SEQUENCE VVFGcPN 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 0.000 174.726 174.700 0.044 0.000 1.109 1335 T CA 0.000 62.123 62.100 0.039 0.000 1.349 1335 T CB 0.000 68.886 68.868 0.029 0.000 0.612 1336 c N 3.713 122.348 118.600 0.057 0.000 3.744 1336 c HA -0.170 4.400 4.570 0.000 0.000 0.290 1336 c C 1.807 175.934 174.090 0.062 0.000 1.385 1336 c CA 0.643 57.020 56.329 0.080 0.000 2.099 1336 c CB -2.784 39.778 42.510 0.087 0.000 1.359 1336 c HN 0.687 nan 8.230 nan 0.000 0.629 1337 N N 0.435 119.159 118.700 0.041 0.000 2.289 1337 N HA -0.130 4.610 4.740 0.000 0.000 0.184 1337 N C 1.511 176.987 175.510 -0.056 0.000 1.016 1337 N CA 1.301 54.350 53.050 -0.002 0.000 0.872 1337 N CB 0.070 38.555 38.487 -0.003 0.000 0.973 1337 N HN 0.657 nan 8.380 nan 0.000 0.433 1338 K N -0.740 119.640 120.400 -0.034 0.000 2.402 1338 K HA 0.296 4.616 4.320 0.000 0.000 0.203 1338 K C -0.810 175.534 176.600 -0.427 0.000 1.077 1338 K CA 0.078 56.231 56.287 -0.223 0.000 1.051 1338 K CB 0.718 33.167 32.500 -0.085 0.000 0.907 1338 K HN -0.051 nan 8.250 nan 0.000 0.554 1339 F N 0.514 120.458 119.950 -0.009 0.000 2.596 1339 F HA 0.287 4.815 4.527 0.000 0.000 0.311 1339 F C -0.793 175.024 175.800 0.029 0.000 1.116 1339 F CA -1.277 56.752 58.000 0.049 0.000 0.957 1339 F CB 1.865 40.923 39.000 0.097 0.000 1.250 1339 F HN -0.233 nan 8.300 nan 0.000 0.444 1340 D N 3.294 123.827 120.400 0.222 0.000 2.210 1340 D HA 0.473 5.113 4.640 0.000 0.000 0.249 1340 D C -1.128 175.269 176.300 0.161 0.000 1.078 1340 D CA -0.087 54.001 54.000 0.146 0.000 0.875 1340 D CB 2.242 43.097 40.800 0.092 0.000 1.175 1340 D HN 0.250 nan 8.370 nan 0.000 0.440 1341 L N 2.352 123.636 121.223 0.101 0.000 2.491 1341 L HA 0.328 4.668 4.340 0.000 0.000 0.267 1341 L C -1.258 175.634 176.870 0.036 0.000 0.971 1341 L CA -0.554 54.323 54.840 0.062 0.000 0.857 1341 L CB 1.477 43.558 42.059 0.036 0.000 1.226 1341 L HN 0.089 nan 8.230 nan 0.000 0.408 1342 K N 3.363 123.778 120.400 0.024 0.000 2.307 1342 K HA 0.781 5.101 4.320 0.000 0.000 0.263 1342 K C -1.186 175.404 176.600 -0.015 0.000 0.973 1342 K CA -0.349 55.945 56.287 0.010 0.000 0.846 1342 K CB 2.036 34.541 32.500 0.008 0.000 1.100 1342 K HN 0.379 nan 8.250 nan 0.000 0.438 1343 V N 2.171 122.077 119.914 -0.013 0.000 2.628 1343 V HA 0.562 4.682 4.120 0.000 0.000 0.306 1343 V C -0.342 175.720 176.094 -0.052 0.000 1.045 1343 V CA -0.671 61.597 62.300 -0.054 0.000 0.905 1343 V CB 2.137 33.947 31.823 -0.021 0.000 0.997 1343 V HN 0.734 nan 8.190 nan 0.000 0.436 1344 T N 4.511 118.983 114.554 -0.137 0.000 2.952 1344 T HA 0.648 4.998 4.350 0.000 0.000 0.305 1344 T C -1.311 173.264 174.700 -0.208 0.000 1.064 1344 T CA -0.213 61.817 62.100 -0.116 0.000 1.008 1344 T CB 1.563 70.373 68.868 -0.096 0.000 1.078 1344 T HN 0.518 nan 8.240 nan 0.000 0.459 1345 I N 3.585 124.072 120.570 -0.138 0.000 2.466 1345 I HA 0.608 4.778 4.170 0.000 0.000 0.289 1345 I C -1.138 174.909 176.117 -0.115 0.000 1.026 1345 I CA -0.258 60.936 61.300 -0.176 0.000 1.078 1345 I CB 1.020 38.952 38.000 -0.115 0.000 1.249 1345 I HN 0.479 nan 8.210 nan 0.000 0.429 1346 K N 7.108 127.432 120.400 -0.128 0.000 2.477 1346 K HA 0.604 4.924 4.320 0.000 0.000 0.255 1346 K C -2.737 173.817 176.600 -0.078 0.000 0.952 1346 K CA -1.814 54.422 56.287 -0.084 0.000 0.826 1346 K CB 1.817 34.274 32.500 -0.072 0.000 1.331 1346 K HN 0.227 nan 8.250 nan 0.000 0.437 1347 P HA 0.060 nan 4.420 nan 0.000 0.271 1347 P C -0.998 176.290 177.300 -0.020 0.000 1.216 1347 P CA -0.176 62.910 63.100 -0.024 0.000 0.771 1347 P CB 0.814 32.510 31.700 -0.007 0.000 0.864 1348 A N 5.011 127.826 122.820 -0.008 0.000 2.296 1348 A HA 0.543 4.863 4.320 0.000 0.000 0.264 1348 A C -1.457 176.134 177.584 0.011 0.000 1.097 1348 A CA -0.794 51.241 52.037 -0.003 0.000 0.811 1348 A CB -1.466 17.537 19.000 0.005 0.000 1.072 1348 A HN 0.500 nan 8.150 nan 0.000 0.495 1360 N N 1.483 120.225 118.700 0.070 0.000 2.039 1360 N HA -0.101 4.639 4.740 0.000 0.000 0.193 1360 N C -0.362 175.258 175.510 0.183 0.000 1.044 1360 N CA 2.242 55.367 53.050 0.125 0.000 0.847 1360 N CB -0.599 38.000 38.487 0.187 0.000 1.030 1360 N HN 0.613 nan 8.380 nan 0.000 0.422 1361 T N -0.356 114.350 114.554 0.254 0.000 0.542 1361 T HA -0.253 4.097 4.350 0.000 0.000 0.774 1361 T C -0.270 174.497 174.700 0.112 0.000 0.992 1361 T CA 0.788 62.990 62.100 0.171 0.000 4.076 1361 T CB -0.842 68.100 68.868 0.123 0.000 2.302 1361 T HN 0.211 nan 8.240 nan 0.000 0.398 1362 M N 3.372 122.995 119.600 0.039 0.000 2.704 1362 M HA 0.611 5.091 4.480 0.000 0.000 0.284 1362 M C -0.359 175.864 176.300 -0.128 0.000 1.275 1362 M CA -1.150 54.118 55.300 -0.052 0.000 0.811 1362 M CB 2.290 34.824 32.600 -0.111 0.000 1.741 1362 M HN 0.589 nan 8.290 nan 0.000 0.458 1363 I N 2.183 122.662 120.570 -0.153 0.000 2.330 1363 I HA 0.298 4.468 4.170 0.000 0.000 0.289 1363 I C -1.011 174.920 176.117 -0.310 0.000 1.001 1363 I CA -0.734 60.444 61.300 -0.203 0.000 1.193 1363 I CB 1.435 39.354 38.000 -0.134 0.000 1.345 1363 I HN 0.389 nan 8.210 nan 0.000 0.461 1364 L N 7.713 128.642 121.223 -0.490 0.000 2.265 1364 L HA 0.374 4.714 4.340 0.000 0.000 0.288 1364 L C -0.119 176.417 176.870 -0.558 0.000 1.058 1364 L CA 0.339 54.786 54.840 -0.653 0.000 0.809 1364 L CB 0.758 42.235 42.059 -0.970 0.000 1.179 1364 L HN 0.579 nan 8.230 nan 0.000 0.429 1365 E N 5.303 125.274 120.200 -0.382 0.000 2.176 1365 E HA 0.500 4.850 4.350 0.000 0.000 0.267 1365 E C -1.397 175.078 176.600 -0.209 0.000 0.893 1365 E CA -0.614 55.637 56.400 -0.249 0.000 0.761 1365 E CB 1.190 30.798 29.700 -0.155 0.000 1.133 1365 E HN 0.675 nan 8.360 nan 0.000 0.409 1366 I N 4.333 124.814 120.570 -0.147 0.000 2.389 1366 I HA 0.334 4.504 4.170 0.000 0.000 0.288 1366 I C -0.895 175.199 176.117 -0.038 0.000 0.999 1366 I CA -0.742 60.502 61.300 -0.094 0.000 1.129 1366 I CB 1.548 39.503 38.000 -0.075 0.000 1.288 1366 I HN 0.514 nan 8.210 nan 0.000 0.444 1367 c N 4.143 122.731 118.600 -0.021 0.000 2.340 1367 c HA 0.695 5.265 4.570 0.000 0.000 0.323 1367 c C 0.343 174.457 174.090 0.039 0.000 1.260 1367 c CA -0.369 55.966 56.329 0.009 0.000 1.464 1367 c CB 1.276 43.788 42.510 0.003 0.000 2.156 1367 c HN 0.762 nan 8.230 nan 0.000 0.476 1368 T N 3.551 118.146 114.554 0.069 0.000 2.893 1368 T HA 0.695 5.045 4.350 0.000 0.000 0.293 1368 T C -1.071 173.733 174.700 0.173 0.000 1.027 1368 T CA -0.464 61.714 62.100 0.131 0.000 0.988 1368 T CB 1.037 69.983 68.868 0.130 0.000 1.043 1368 T HN 0.825 nan 8.240 nan 0.000 0.461 1369 R N 2.717 123.352 120.500 0.225 0.000 2.651 1369 R HA 0.434 4.774 4.340 0.000 0.000 0.278 1369 R C -1.895 174.539 176.300 0.224 0.000 1.010 1369 R CA -0.754 55.465 56.100 0.198 0.000 0.896 1369 R CB 1.433 31.796 30.300 0.105 0.000 1.211 1369 R HN 0.678 nan 8.270 nan 0.000 0.456 1370 Y N 2.881 123.186 120.300 0.009 0.000 2.335 1370 Y HA 0.276 4.826 4.550 0.000 0.000 0.331 1370 Y C -0.127 175.692 175.900 -0.135 0.000 1.094 1370 Y CA -0.251 57.696 58.100 -0.255 0.000 1.253 1370 Y CB 0.923 39.263 38.460 -0.200 0.000 1.203 1370 Y HN 0.479 nan 8.280 nan 0.000 0.508 1371 R N 4.582 124.695 120.500 -0.644 0.000 3.657 1371 R HA 0.396 4.736 4.340 0.000 0.000 0.220 1371 R C -0.033 175.898 176.300 -0.614 0.000 1.548 1371 R CA -0.032 55.799 56.100 -0.448 0.000 1.465 1371 R CB -0.145 29.964 30.300 -0.319 0.000 1.330 1371 R HN 0.807 nan 8.270 nan 0.000 0.707 1372 G N -0.232 108.313 108.800 -0.425 0.000 2.798 1372 G HA2 0.159 4.119 3.960 0.000 0.000 0.286 1372 G HA3 0.159 4.119 3.960 0.000 0.000 0.286 1372 G C -0.565 174.290 174.900 -0.075 0.000 1.389 1372 G CA -0.673 44.289 45.100 -0.231 0.000 0.894 1372 G HN 0.212 nan 8.290 nan 0.000 0.488 1373 D N -0.290 120.036 120.400 -0.123 0.000 2.355 1373 D HA 0.116 4.756 4.640 0.000 0.000 0.218 1373 D C 0.665 176.584 176.300 -0.636 0.000 1.004 1373 D CA 0.790 54.661 54.000 -0.216 0.000 0.880 1373 D CB 0.388 41.130 40.800 -0.097 0.000 0.911 1373 D HN 0.187 nan 8.370 nan 0.000 0.528 1374 Q N 0.447 119.968 119.800 -0.465 0.000 2.433 1374 Q HA 0.329 4.669 4.340 0.000 0.000 0.279 1374 Q C -0.832 175.089 176.000 -0.132 0.000 1.105 1374 Q CA -0.774 54.788 55.803 -0.403 0.000 0.815 1374 Q CB 1.084 29.745 28.738 -0.129 0.000 1.403 1374 Q HN -0.080 nan 8.270 nan 0.000 0.435 1375 D N 1.121 121.520 120.400 -0.001 0.000 2.414 1375 D HA 0.301 4.941 4.640 0.000 0.000 0.242 1375 D C -0.086 176.105 176.300 -0.181 0.000 1.129 1375 D CA 0.182 54.227 54.000 0.075 0.000 0.885 1375 D CB 0.644 41.502 40.800 0.098 0.000 1.198 1375 D HN 0.583 nan 8.370 nan 0.000 0.437 1376 A N 1.943 124.462 122.820 -0.502 0.000 2.466 1376 A HA 0.392 4.712 4.320 0.000 0.000 0.238 1376 A C 1.108 178.590 177.584 -0.170 0.000 1.074 1376 A CA -0.067 51.559 52.037 -0.684 0.000 0.774 1376 A CB -0.002 18.569 19.000 -0.715 0.000 1.015 1376 A HN 0.637 nan 8.150 nan 0.000 0.498 1377 T N 0.163 114.695 114.554 -0.037 0.000 3.367 1377 T HA 0.463 4.813 4.350 0.000 0.000 0.330 1377 T C 0.697 175.490 174.700 0.155 0.000 1.269 1377 T CA -0.464 61.686 62.100 0.084 0.000 0.912 1377 T CB -0.118 68.840 68.868 0.151 0.000 2.087 1377 T HN 0.491 nan 8.240 nan 0.000 0.562 1378 M N 2.080 121.803 119.600 0.206 0.000 2.390 1378 M HA 0.182 4.662 4.480 0.000 0.000 0.353 1378 M C -0.520 175.930 176.300 0.251 0.000 1.623 1378 M CA 0.402 55.798 55.300 0.160 0.000 1.065 1378 M CB -0.265 32.323 32.600 -0.020 0.000 2.025 1378 M HN 0.576 nan 8.290 nan 0.000 0.461 1379 S N 3.722 119.501 115.700 0.132 0.000 2.634 1379 S HA 0.762 5.232 4.470 0.000 0.000 0.296 1379 S C -0.813 173.735 174.600 -0.086 0.000 1.104 1379 S CA -0.805 57.408 58.200 0.022 0.000 0.920 1379 S CB 1.669 64.887 63.200 0.030 0.000 1.111 1379 S HN 0.479 nan 8.310 nan 0.000 0.493 1380 I N 1.499 121.845 120.570 -0.374 0.000 2.406 1380 I HA 0.380 4.550 4.170 0.000 0.000 0.290 1380 I C -0.946 174.908 176.117 -0.438 0.000 0.999 1380 I CA -0.203 60.834 61.300 -0.440 0.000 1.124 1380 I CB 1.286 38.890 38.000 -0.659 0.000 1.289 1380 I HN 0.415 nan 8.210 nan 0.000 0.441 1381 L N 5.511 126.560 121.223 -0.290 0.000 2.255 1381 L HA 0.358 4.698 4.340 0.000 0.000 0.289 1381 L C -0.523 176.238 176.870 -0.181 0.000 1.046 1381 L CA -0.377 54.340 54.840 -0.205 0.000 0.816 1381 L CB 0.672 42.660 42.059 -0.119 0.000 1.197 1381 L HN 0.504 nan 8.230 nan 0.000 0.427 1382 D N 5.172 125.506 120.400 -0.110 0.000 2.373 1382 D HA 0.438 5.078 4.640 0.000 0.000 0.227 1382 D C -0.624 175.679 176.300 0.005 0.000 1.091 1382 D CA -0.121 53.855 54.000 -0.041 0.000 0.840 1382 D CB 0.864 41.697 40.800 0.053 0.000 1.060 1382 D HN 0.238 nan 8.370 nan 0.000 0.502 1383 I N 2.547 123.134 120.570 0.028 0.000 2.406 1383 I HA 0.253 4.423 4.170 0.000 0.000 0.290 1383 I C 0.146 176.336 176.117 0.122 0.000 0.999 1383 I CA -0.713 60.648 61.300 0.101 0.000 1.124 1383 I CB 1.878 39.974 38.000 0.160 0.000 1.289 1383 I HN 0.288 nan 8.210 nan 0.000 0.441 1384 S N 6.545 122.329 115.700 0.139 0.000 2.509 1384 S HA 0.656 5.126 4.470 0.000 0.000 0.297 1384 S C -0.314 174.391 174.600 0.176 0.000 1.118 1384 S CA -1.033 57.246 58.200 0.132 0.000 1.074 1384 S CB 1.732 64.981 63.200 0.082 0.000 1.038 1384 S HN 0.365 nan 8.310 nan 0.000 0.498 1385 M N 2.348 122.061 119.600 0.188 0.000 2.255 1385 M HA 0.309 4.789 4.480 0.000 0.000 0.336 1385 M C 0.179 176.550 176.300 0.118 0.000 1.135 1385 M CA -0.025 55.414 55.300 0.232 0.000 1.145 1385 M CB 0.387 33.170 32.600 0.304 0.000 1.473 1385 M HN 0.726 nan 8.290 nan 0.000 0.462 1386 M N 1.182 120.827 119.600 0.075 0.000 2.249 1386 M HA 0.020 4.500 4.480 0.000 0.000 0.340 1386 M C 0.802 177.236 176.300 0.223 0.000 1.166 1386 M CA 0.214 55.533 55.300 0.033 0.000 1.115 1386 M CB 0.241 32.763 32.600 -0.130 0.000 1.606 1386 M HN 0.719 nan 8.290 nan 0.000 0.448 1387 T N 1.295 115.944 114.554 0.158 0.000 2.793 1387 T HA 0.326 4.676 4.350 0.000 0.000 0.289 1387 T C 1.085 175.854 174.700 0.115 0.000 0.956 1387 T CA 0.692 62.872 62.100 0.133 0.000 1.177 1387 T CB -0.136 68.783 68.868 0.085 0.000 0.897 1387 T HN 0.995 nan 8.240 nan 0.000 0.533 1388 G N 3.160 111.947 108.800 -0.023 0.000 2.159 1388 G HA2 -0.167 3.793 3.960 0.000 0.000 0.227 1388 G HA3 -0.167 3.793 3.960 0.000 0.000 0.227 1388 G C -0.140 174.466 174.900 -0.490 0.000 0.986 1388 G CA -0.216 44.635 45.100 -0.414 0.000 0.651 1388 G HN 0.698 nan 8.290 nan 0.000 0.523 1389 F N 1.005 120.975 119.950 0.033 0.000 2.507 1389 F HA 0.799 5.326 4.527 0.000 0.000 0.327 1389 F C 0.508 176.567 175.800 0.433 0.000 1.068 1389 F CA -0.032 58.101 58.000 0.222 0.000 0.965 1389 F CB 2.315 41.410 39.000 0.159 0.000 1.192 1389 F HN 0.392 nan 8.300 nan 0.000 0.476 1390 A N 2.780 125.977 122.820 0.627 0.000 2.515 1390 A HA 0.777 5.097 4.320 0.000 0.000 0.298 1390 A C -2.987 174.880 177.584 0.473 0.000 1.059 1390 A CA -2.004 50.325 52.037 0.488 0.000 0.698 1390 A CB 1.473 20.697 19.000 0.373 0.000 1.289 1390 A HN 0.382 nan 8.150 nan 0.000 0.404 1391 P HA 0.119 nan 4.420 nan 0.000 0.266 1391 P C -0.651 176.839 177.300 0.316 0.000 1.195 1391 P CA 0.348 63.650 63.100 0.337 0.000 0.768 1391 P CB 0.357 32.105 31.700 0.080 0.000 0.838 1392 D N 1.263 121.861 120.400 0.331 0.000 2.401 1392 D HA 0.003 4.643 4.640 0.000 0.000 0.254 1392 D C 0.906 177.281 176.300 0.125 0.000 1.192 1392 D CA 0.272 54.472 54.000 0.334 0.000 0.885 1392 D CB 0.425 41.444 40.800 0.366 0.000 1.147 1392 D HN 0.300 nan 8.370 nan 0.000 0.478 1393 T N 1.185 115.766 114.554 0.046 0.000 2.821 1393 T HA -0.162 4.188 4.350 0.000 0.000 0.267 1393 T C 1.232 175.916 174.700 -0.027 0.000 1.046 1393 T CA 0.771 62.854 62.100 -0.028 0.000 1.139 1393 T CB -0.122 68.706 68.868 -0.066 0.000 0.871 1393 T HN 0.382 nan 8.240 nan 0.000 0.454 1394 D N 1.653 122.050 120.400 -0.004 0.000 2.123 1394 D HA -0.087 4.553 4.640 0.000 0.000 0.196 1394 D C 1.891 178.197 176.300 0.010 0.000 0.992 1394 D CA 1.114 55.114 54.000 -0.000 0.000 0.833 1394 D CB -0.519 40.288 40.800 0.011 0.000 0.954 1394 D HN 0.291 nan 8.370 nan 0.000 0.455 1395 D N -0.107 120.318 120.400 0.040 0.000 2.178 1395 D HA -0.053 4.587 4.640 0.000 0.000 0.201 1395 D C 2.221 178.513 176.300 -0.013 0.000 0.980 1395 D CA 0.282 54.314 54.000 0.053 0.000 0.842 1395 D CB -0.127 40.754 40.800 0.135 0.000 0.948 1395 D HN 0.196 nan 8.370 nan 0.000 0.472 1396 L N -0.010 121.161 121.223 -0.087 0.000 2.109 1396 L HA -0.123 4.217 4.340 0.000 0.000 0.207 1396 L C 2.187 178.989 176.870 -0.113 0.000 1.086 1396 L CA 0.945 55.676 54.840 -0.183 0.000 0.760 1396 L CB -0.155 41.761 42.059 -0.238 0.000 0.910 1396 L HN -0.056 nan 8.230 nan 0.000 0.437 1397 K N -0.122 120.236 120.400 -0.070 0.000 2.057 1397 K HA -0.248 4.072 4.320 0.000 0.000 0.207 1397 K C 2.066 178.649 176.600 -0.028 0.000 1.049 1397 K CA 1.235 57.495 56.287 -0.046 0.000 0.931 1397 K CB -0.180 32.301 32.500 -0.032 0.000 0.714 1397 K HN 0.045 nan 8.250 nan 0.000 0.440 1398 Q N 0.767 120.557 119.800 -0.016 0.000 2.112 1398 Q HA -0.109 4.231 4.340 0.000 0.000 0.206 1398 Q C 1.720 177.719 176.000 -0.002 0.000 0.987 1398 Q CA 1.632 57.435 55.803 -0.001 0.000 0.858 1398 Q CB -0.187 28.558 28.738 0.012 0.000 0.905 1398 Q HN 0.325 nan 8.270 nan 0.000 0.420 1399 L N -0.639 120.575 121.223 -0.016 0.000 2.156 1399 L HA -0.043 4.297 4.340 0.000 0.000 0.208 1399 L C 2.307 179.166 176.870 -0.018 0.000 1.095 1399 L CA 0.817 55.648 54.840 -0.014 0.000 0.770 1399 L CB -0.595 41.441 42.059 -0.038 0.000 0.914 1399 L HN 0.299 nan 8.230 nan 0.000 0.439 1400 A N -0.007 122.791 122.820 -0.037 0.000 1.969 1400 A HA -0.165 4.155 4.320 0.000 0.000 0.218 1400 A C 1.916 179.513 177.584 0.023 0.000 1.169 1400 A CA 1.450 53.474 52.037 -0.023 0.000 0.635 1400 A CB -0.578 18.388 19.000 -0.056 0.000 0.810 1400 A HN 0.512 nan 8.150 nan 0.000 0.445 1401 N N -0.024 118.685 118.700 0.015 0.000 2.446 1401 N HA 0.011 4.751 4.740 0.000 0.000 0.179 1401 N C 0.987 176.514 175.510 0.028 0.000 1.054 1401 N CA 0.172 53.237 53.050 0.024 0.000 0.905 1401 N CB 0.003 38.498 38.487 0.015 0.000 0.973 1401 N HN 0.452 nan 8.380 nan 0.000 0.448 1402 G N 1.239 110.055 108.800 0.026 0.000 2.491 1402 G HA2 0.158 4.118 3.960 0.000 0.000 0.238 1402 G HA3 0.158 4.118 3.960 0.000 0.000 0.238 1402 G C -0.022 174.901 174.900 0.038 0.000 1.277 1402 G CA -0.303 44.815 45.100 0.029 0.000 0.851 1402 G HN -0.012 nan 8.290 nan 0.000 0.573 1403 V N 2.623 122.557 119.914 0.033 0.000 2.740 1403 V HA 0.174 4.294 4.120 0.000 0.000 0.303 1403 V C 0.674 176.792 176.094 0.041 0.000 1.054 1403 V CA 0.665 62.985 62.300 0.034 0.000 1.106 1403 V CB 0.707 32.546 31.823 0.027 0.000 0.957 1403 V HN 1.008 nan 8.190 nan 0.000 0.486 1404 D N 3.641 124.067 120.400 0.044 0.000 3.068 1404 D HA -0.137 4.503 4.640 0.000 0.000 0.218 1404 D C 0.162 176.504 176.300 0.071 0.000 1.145 1404 D CA 0.899 54.929 54.000 0.050 0.000 0.896 1404 D CB -0.634 40.193 40.800 0.046 0.000 1.105 1404 D HN 0.725 nan 8.370 nan 0.000 0.423 1405 R N -0.378 120.174 120.500 0.087 0.000 2.725 1405 R HA 0.570 4.910 4.340 0.000 0.000 0.277 1405 R C -1.207 175.205 176.300 0.188 0.000 0.987 1405 R CA -0.747 55.419 56.100 0.111 0.000 0.901 1405 R CB 2.348 32.687 30.300 0.065 0.000 1.207 1405 R HN 0.079 nan 8.270 nan 0.000 0.463 1406 Y N 2.511 122.854 120.300 0.071 0.000 2.433 1406 Y HA 0.550 5.100 4.550 0.000 0.000 0.337 1406 Y C -1.588 174.386 175.900 0.124 0.000 1.026 1406 Y CA -0.833 57.319 58.100 0.088 0.000 1.037 1406 Y CB 1.356 39.866 38.460 0.084 0.000 1.245 1406 Y HN 0.527 nan 8.280 nan 0.000 0.443 1407 I N 5.851 126.070 120.570 -0.585 0.000 2.468 1407 I HA 0.320 4.490 4.170 0.000 0.000 0.285 1407 I C -0.288 175.361 176.117 -0.779 0.000 1.039 1407 I CA -0.816 60.133 61.300 -0.586 0.000 1.074 1407 I CB 2.057 39.879 38.000 -0.297 0.000 1.228 1407 I HN 0.736 nan 8.210 nan 0.000 0.436 1408 S N 4.984 120.247 115.700 -0.728 0.000 2.584 1408 S HA 0.125 4.595 4.470 0.000 0.000 0.270 1408 S C 1.134 175.692 174.600 -0.069 0.000 1.346 1408 S CA -0.414 57.584 58.200 -0.337 0.000 1.018 1408 S CB 1.348 64.571 63.200 0.038 0.000 0.899 1408 S HN 0.788 nan 8.310 nan 0.000 0.542 1409 K N 0.737 121.169 120.400 0.054 0.000 2.103 1409 K HA -0.217 4.103 4.320 0.000 0.000 0.207 1409 K C 1.633 178.271 176.600 0.062 0.000 1.048 1409 K CA 1.548 57.865 56.287 0.049 0.000 0.930 1409 K CB -0.450 32.091 32.500 0.068 0.000 0.716 1409 K HN 0.774 nan 8.250 nan 0.000 0.444 1410 Y N 1.499 121.796 120.300 -0.005 0.000 1.997 1410 Y HA -0.375 4.175 4.550 0.000 0.000 0.265 1410 Y C 2.319 178.201 175.900 -0.030 0.000 1.193 1410 Y CA 2.517 60.615 58.100 -0.004 0.000 1.106 1410 Y CB -0.207 38.267 38.460 0.023 0.000 0.940 1410 Y HN 0.236 nan 8.280 nan 0.000 0.494 1411 E N -0.781 119.525 120.200 0.177 0.000 2.106 1411 E HA -0.164 4.186 4.350 0.000 0.000 0.192 1411 E C 1.872 178.458 176.600 -0.025 0.000 0.984 1411 E CA 0.907 57.339 56.400 0.053 0.000 0.806 1411 E CB -0.289 29.392 29.700 -0.032 0.000 0.750 1411 E HN 0.280 nan 8.360 nan 0.000 0.458 1412 L N 0.777 121.975 121.223 -0.042 0.000 2.156 1412 L HA -0.065 4.275 4.340 0.000 0.000 0.208 1412 L C 0.671 177.505 176.870 -0.059 0.000 1.095 1412 L CA 1.648 56.449 54.840 -0.064 0.000 0.770 1412 L CB -0.477 41.543 42.059 -0.064 0.000 0.914 1412 L HN 0.212 nan 8.230 nan 0.000 0.439 1413 D N -2.845 117.520 120.400 -0.058 0.000 2.559 1413 D HA 0.103 4.743 4.640 0.000 0.000 0.234 1413 D C 0.844 177.092 176.300 -0.087 0.000 1.226 1413 D CA -0.249 53.707 54.000 -0.073 0.000 0.830 1413 D CB 0.216 40.973 40.800 -0.071 0.000 1.028 1413 D HN -0.029 nan 8.370 nan 0.000 0.492 1414 K N 0.488 120.845 120.400 -0.072 0.000 2.797 1414 K HA 0.555 4.875 4.320 0.000 0.000 0.307 1414 K C 0.170 176.736 176.600 -0.057 0.000 1.072 1414 K CA 0.217 56.468 56.287 -0.060 0.000 0.981 1414 K CB 0.165 32.652 32.500 -0.023 0.000 1.078 1414 K HN 0.263 nan 8.250 nan 0.000 0.459 1415 A N -1.300 121.493 122.820 -0.044 0.000 2.536 1415 A HA 0.342 4.662 4.320 0.000 0.000 0.293 1415 A C -0.115 177.455 177.584 -0.023 0.000 1.119 1415 A CA -0.756 51.254 52.037 -0.044 0.000 0.654 1415 A CB -0.173 18.799 19.000 -0.046 0.000 1.291 1415 A HN 0.436 nan 8.150 nan 0.000 0.439 1416 F N 1.096 120.886 119.950 -0.267 0.000 2.204 1416 F HA -0.220 4.307 4.527 0.000 0.000 0.301 1416 F C 2.867 178.265 175.800 -0.670 0.000 1.058 1416 F CA 2.056 59.728 58.000 -0.546 0.000 1.313 1416 F CB -0.741 38.069 39.000 -0.316 0.000 1.051 1416 F HN 0.682 nan 8.300 nan 0.000 0.505 1417 S N -0.536 115.087 115.700 -0.129 0.000 2.414 1417 S HA -0.216 4.254 4.470 0.000 0.000 0.225 1417 S C 1.134 175.669 174.600 -0.108 0.000 1.041 1417 S CA 2.047 60.187 58.200 -0.100 0.000 1.114 1417 S CB -0.195 62.978 63.200 -0.045 0.000 1.064 1417 S HN 0.403 nan 8.310 nan 0.000 0.420 1418 D N -0.284 120.077 120.400 -0.066 0.000 3.453 1418 D HA 0.190 4.830 4.640 0.000 0.000 0.312 1418 D C -0.645 175.673 176.300 0.031 0.000 1.349 1418 D CA -0.157 53.843 54.000 0.001 0.000 0.739 1418 D CB 0.227 41.043 40.800 0.028 0.000 1.312 1418 D HN 0.314 nan 8.370 nan 0.000 0.628 1419 R N 1.772 122.286 120.500 0.023 0.000 4.556 1419 R HA 0.035 4.375 4.340 0.000 0.000 0.197 1419 R C 1.551 177.934 176.300 0.138 0.000 1.791 1419 R CA -0.099 56.045 56.100 0.072 0.000 1.526 1419 R CB -0.208 30.130 30.300 0.063 0.000 1.410 1419 R HN 0.128 nan 8.270 nan 0.000 0.826 1420 N N -0.608 118.180 118.700 0.146 0.000 2.309 1420 N HA -0.106 4.634 4.740 0.000 0.000 0.182 1420 N C 0.140 175.741 175.510 0.151 0.000 1.018 1420 N CA 1.083 54.239 53.050 0.177 0.000 0.876 1420 N CB 0.110 38.689 38.487 0.152 0.000 0.972 1420 N HN 0.303 nan 8.380 nan 0.000 0.434 1421 T N -2.486 112.138 114.554 0.116 0.000 2.906 1421 T HA 0.658 5.008 4.350 0.000 0.000 0.295 1421 T C -0.880 173.861 174.700 0.069 0.000 1.075 1421 T CA -1.017 61.140 62.100 0.096 0.000 1.005 1421 T CB 2.153 71.065 68.868 0.073 0.000 1.136 1421 T HN 0.111 nan 8.240 nan 0.000 0.498 1422 L N 1.091 122.340 121.223 0.043 0.000 2.482 1422 L HA 0.740 5.080 4.340 0.000 0.000 0.263 1422 L C -1.937 174.886 176.870 -0.078 0.000 0.957 1422 L CA -0.867 53.961 54.840 -0.019 0.000 0.836 1422 L CB 1.862 43.909 42.059 -0.021 0.000 1.324 1422 L HN 0.886 nan 8.230 nan 0.000 0.406 1423 I N 5.560 126.026 120.570 -0.173 0.000 2.378 1423 I HA 0.459 4.629 4.170 0.000 0.000 0.291 1423 I C -0.632 175.220 176.117 -0.442 0.000 0.992 1423 I CA -0.493 60.606 61.300 -0.335 0.000 1.154 1423 I CB 1.665 39.376 38.000 -0.481 0.000 1.315 1423 I HN 0.477 nan 8.210 nan 0.000 0.448 1424 I N 6.555 126.895 120.570 -0.382 0.000 2.339 1424 I HA 0.280 4.450 4.170 0.000 0.000 0.290 1424 I C -0.859 175.058 176.117 -0.333 0.000 0.994 1424 I CA -0.675 60.437 61.300 -0.313 0.000 1.191 1424 I CB 0.827 38.731 38.000 -0.159 0.000 1.343 1424 I HN 0.404 nan 8.210 nan 0.000 0.458 1425 Y N 6.455 126.735 120.300 -0.033 0.000 2.336 1425 Y HA 0.456 5.006 4.550 0.000 0.000 0.335 1425 Y C 0.026 175.947 175.900 0.034 0.000 1.046 1425 Y CA -0.567 57.546 58.100 0.022 0.000 1.198 1425 Y CB 0.880 39.427 38.460 0.146 0.000 1.182 1425 Y HN 0.338 nan 8.280 nan 0.000 0.502 1426 L N 3.563 124.880 121.223 0.156 0.000 2.322 1426 L HA 0.352 4.692 4.340 0.000 0.000 0.281 1426 L C 0.296 177.225 176.870 0.099 0.000 1.014 1426 L CA -0.675 54.227 54.840 0.103 0.000 0.815 1426 L CB 1.442 43.537 42.059 0.059 0.000 1.247 1426 L HN 0.633 nan 8.230 nan 0.000 0.421 1427 D N 1.761 122.208 120.400 0.079 0.000 2.277 1427 D HA -0.026 4.614 4.640 0.000 0.000 0.208 1427 D C 0.198 176.527 176.300 0.047 0.000 0.962 1427 D CA 1.104 55.133 54.000 0.048 0.000 0.865 1427 D CB 0.341 41.160 40.800 0.031 0.000 0.939 1427 D HN 0.567 nan 8.370 nan 0.000 0.510 1428 K N -1.631 118.803 120.400 0.057 0.000 2.607 1428 K HA 0.503 4.823 4.320 0.000 0.000 0.287 1428 K C -1.317 175.327 176.600 0.074 0.000 0.996 1428 K CA -1.112 55.207 56.287 0.054 0.000 0.876 1428 K CB 2.208 34.733 32.500 0.041 0.000 1.496 1428 K HN -0.196 nan 8.250 nan 0.000 0.415 1429 V N -0.682 119.279 119.914 0.079 0.000 2.577 1429 V HA 0.607 4.727 4.120 0.000 0.000 0.303 1429 V C -0.374 175.807 176.094 0.145 0.000 1.042 1429 V CA -0.241 62.141 62.300 0.135 0.000 0.872 1429 V CB 1.497 33.469 31.823 0.248 0.000 0.998 1429 V HN 0.967 nan 8.190 nan 0.000 0.423 1430 S N 3.599 119.381 115.700 0.136 0.000 2.558 1430 S HA 0.079 4.549 4.470 0.000 0.000 0.291 1430 S C 0.896 175.610 174.600 0.190 0.000 1.306 1430 S CA 1.121 59.402 58.200 0.134 0.000 1.056 1430 S CB 0.149 63.387 63.200 0.064 0.000 0.836 1430 S HN 1.458 nan 8.310 nan 0.000 0.504 1431 H N 1.312 120.450 119.070 0.112 0.000 2.740 1431 H HA 0.409 4.965 4.556 0.000 0.000 0.265 1431 H C 1.385 176.749 175.328 0.060 0.000 0.978 1431 H CA 0.555 56.673 56.048 0.116 0.000 1.198 1431 H CB 0.006 29.856 29.762 0.148 0.000 1.467 1431 H HN 0.428 nan 8.280 nan 0.000 0.511 1432 S N -0.354 115.049 115.700 -0.495 0.000 2.441 1432 S HA 0.088 4.558 4.470 0.000 0.000 0.224 1432 S C 0.000 174.511 174.600 -0.149 0.000 1.043 1432 S CA 0.483 58.442 58.200 -0.402 0.000 0.948 1432 S CB 0.152 63.111 63.200 -0.402 0.000 0.810 1432 S HN 0.657 nan 8.310 nan 0.000 0.504 1433 E N 0.295 120.443 120.200 -0.086 0.000 2.449 1433 E HA 0.474 4.824 4.350 0.000 0.000 0.278 1433 E C -2.037 174.569 176.600 0.010 0.000 0.992 1433 E CA -1.018 55.364 56.400 -0.029 0.000 0.807 1433 E CB -0.116 29.568 29.700 -0.027 0.000 1.350 1433 E HN -0.254 nan 8.360 nan 0.000 0.462 1434 D N 0.966 121.378 120.400 0.020 0.000 2.417 1434 D HA 0.136 4.776 4.640 0.000 0.000 0.250 1434 D C -0.700 175.624 176.300 0.040 0.000 1.166 1434 D CA 0.255 54.279 54.000 0.039 0.000 0.881 1434 D CB 0.445 41.263 40.800 0.030 0.000 1.164 1434 D HN 0.253 nan 8.370 nan 0.000 0.467 1435 D N 1.980 122.417 120.400 0.061 0.000 2.347 1435 D HA 0.146 4.786 4.640 0.000 0.000 0.235 1435 D C -0.309 176.017 176.300 0.044 0.000 1.149 1435 D CA -0.143 53.890 54.000 0.055 0.000 0.850 1435 D CB 0.522 41.366 40.800 0.074 0.000 1.061 1435 D HN 0.188 nan 8.370 nan 0.000 0.487 1436 c N 3.128 121.746 118.600 0.030 0.000 2.391 1436 c HA 0.779 5.349 4.570 0.000 0.000 0.339 1436 c C -0.292 173.811 174.090 0.021 0.000 1.205 1436 c CA -0.691 55.648 56.329 0.017 0.000 1.937 1436 c CB 0.181 42.694 42.510 0.006 0.000 2.341 1436 c HN 0.551 nan 8.230 nan 0.000 0.516 1437 L N 1.325 122.558 121.223 0.017 0.000 2.465 1437 L HA 1.052 5.392 4.340 0.000 0.000 0.257 1437 L C -0.599 176.281 176.870 0.018 0.000 0.988 1437 L CA -0.780 54.083 54.840 0.039 0.000 0.827 1437 L CB 1.173 43.277 42.059 0.074 0.000 1.397 1437 L HN 0.783 nan 8.230 nan 0.000 0.410 1438 A N 1.336 124.183 122.820 0.046 0.000 2.539 1438 A HA 0.990 5.310 4.320 0.000 0.000 0.296 1438 A C -1.359 176.298 177.584 0.122 0.000 1.073 1438 A CA -0.389 51.628 52.037 -0.033 0.000 0.700 1438 A CB 1.521 20.478 19.000 -0.072 0.000 1.296 1438 A HN 1.502 nan 8.150 nan 0.000 0.405 1439 F N -1.315 118.593 119.950 -0.070 0.000 2.693 1439 F HA 0.772 5.299 4.527 0.000 0.000 0.309 1439 F C -0.732 175.025 175.800 -0.073 0.000 1.129 1439 F CA -1.118 56.850 58.000 -0.054 0.000 0.948 1439 F CB 1.119 40.096 39.000 -0.038 0.000 1.315 1439 F HN 0.432 nan 8.300 nan 0.000 0.447 1440 K N 1.538 122.015 120.400 0.128 0.000 2.218 1440 K HA 0.654 4.974 4.320 0.000 0.000 0.276 1440 K C -0.870 175.729 176.600 -0.003 0.000 1.022 1440 K CA -0.654 55.610 56.287 -0.037 0.000 0.946 1440 K CB 1.700 34.155 32.500 -0.074 0.000 1.000 1440 K HN 0.676 nan 8.250 nan 0.000 0.468 1441 V N 0.002 119.858 119.914 -0.098 0.000 2.555 1441 V HA 0.492 4.613 4.120 0.000 0.000 0.302 1441 V C -0.704 175.438 176.094 0.080 0.000 1.038 1441 V CA -0.795 61.563 62.300 0.097 0.000 0.887 1441 V CB 1.554 33.490 31.823 0.188 0.000 0.991 1441 V HN 0.682 nan 8.190 nan 0.000 0.434 1442 H N 2.731 122.095 119.070 0.489 0.000 2.492 1442 H HA 0.449 5.005 4.556 0.000 0.000 0.345 1442 H C -0.805 174.574 175.328 0.085 0.000 1.136 1442 H CA -0.470 55.802 56.048 0.373 0.000 1.202 1442 H CB 2.391 32.432 29.762 0.464 0.000 1.524 1442 H HN 0.810 nan 8.280 nan 0.000 0.506 1443 Q N 2.264 121.906 119.800 -0.264 0.000 2.323 1443 Q HA 0.062 4.402 4.340 0.000 0.000 0.257 1443 Q C 0.046 175.809 176.000 -0.396 0.000 1.022 1443 Q CA -0.241 55.093 55.803 -0.781 0.000 0.919 1443 Q CB 0.376 28.555 28.738 -0.932 0.000 1.220 1443 Q HN 0.710 nan 8.270 nan 0.000 0.427 1444 Y N 2.973 122.910 120.300 -0.605 0.000 2.522 1444 Y HA 0.333 4.883 4.550 0.000 0.000 0.277 1444 Y C -0.298 175.407 175.900 -0.324 0.000 1.104 1444 Y CA -0.579 57.052 58.100 -0.783 0.000 1.260 1444 Y CB 0.454 37.952 38.460 -1.603 0.000 1.151 1444 Y HN 0.412 nan 8.280 nan 0.000 0.539 1445 F N 3.205 122.578 119.950 -0.962 0.000 2.467 1445 F HA 0.434 4.961 4.527 0.000 0.000 0.336 1445 F C -0.723 174.786 175.800 -0.485 0.000 1.123 1445 F CA -1.731 55.908 58.000 -0.601 0.000 0.964 1445 F CB 1.036 39.671 39.000 -0.608 0.000 1.136 1445 F HN 0.012 nan 8.300 nan 0.000 0.447 1446 N N 5.294 123.543 118.700 -0.752 0.000 2.419 1446 N HA 0.498 5.238 4.740 0.000 0.000 0.277 1446 N C -1.851 173.342 175.510 -0.529 0.000 1.006 1446 N CA 0.019 52.755 53.050 -0.524 0.000 0.923 1446 N CB 1.838 40.093 38.487 -0.386 0.000 1.140 1446 N HN 0.569 nan 8.380 nan 0.000 0.488 1447 V N 2.546 122.303 119.914 -0.262 0.000 3.007 1447 V HA 0.321 4.441 4.120 0.000 0.000 0.311 1447 V C -0.654 175.393 176.094 -0.078 0.000 1.120 1447 V CA -0.887 61.323 62.300 -0.149 0.000 0.980 1447 V CB 2.109 33.922 31.823 -0.016 0.000 1.033 1447 V HN 0.807 nan 8.190 nan 0.000 0.429 1448 E N 5.329 125.493 120.200 -0.061 0.000 2.354 1448 E HA 0.525 4.875 4.350 0.000 0.000 0.269 1448 E C -0.684 175.913 176.600 -0.004 0.000 1.036 1448 E CA -0.365 56.016 56.400 -0.032 0.000 0.876 1448 E CB 0.927 30.601 29.700 -0.044 0.000 1.009 1448 E HN 0.700 nan 8.360 nan 0.000 0.416 1449 L N 2.333 123.567 121.223 0.019 0.000 2.939 1449 L HA -0.207 4.133 4.340 0.000 0.000 0.705 1449 L C -0.663 176.247 176.870 0.067 0.000 1.098 1449 L CA 0.116 54.979 54.840 0.039 0.000 1.347 1449 L CB -1.444 40.622 42.059 0.012 0.000 1.956 1449 L HN 0.746 nan 8.230 nan 0.000 0.922 1450 I N -0.201 120.444 120.570 0.125 0.000 2.353 1450 I HA 0.488 4.658 4.170 0.000 0.000 0.293 1450 I C 0.392 176.622 176.117 0.188 0.000 0.992 1450 I CA -0.005 61.376 61.300 0.135 0.000 1.268 1450 I CB 1.484 39.550 38.000 0.110 0.000 1.387 1450 I HN 0.435 nan 8.210 nan 0.000 0.478 1451 Q N 7.172 127.037 119.800 0.109 0.000 2.314 1451 Q HA 0.405 4.745 4.340 0.000 0.000 0.258 1451 Q C -2.274 173.779 176.000 0.088 0.000 0.954 1451 Q CA -1.788 54.058 55.803 0.072 0.000 0.890 1451 Q CB 0.856 29.614 28.738 0.033 0.000 1.210 1451 Q HN 0.502 nan 8.270 nan 0.000 0.410 1452 P HA -0.071 nan 4.420 nan 0.000 0.264 1452 P C -0.448 176.759 177.300 -0.154 0.000 1.179 1452 P CA 0.297 63.392 63.100 -0.008 0.000 0.763 1452 P CB 0.492 32.174 31.700 -0.030 0.000 0.806 1453 G N 1.488 109.961 108.800 -0.545 0.000 2.616 1453 G HA2 0.554 4.514 3.960 0.000 0.000 0.268 1453 G HA3 0.554 4.514 3.960 0.000 0.000 0.268 1453 G C -1.006 173.638 174.900 -0.427 0.000 1.213 1453 G CA -0.146 44.572 45.100 -0.637 0.000 0.926 1453 G HN 0.642 nan 8.290 nan 0.000 0.523 1454 A N -1.183 121.558 122.820 -0.131 0.000 2.515 1454 A HA 0.674 4.994 4.320 0.000 0.000 0.298 1454 A C -1.232 176.372 177.584 0.033 0.000 1.059 1454 A CA -0.448 51.535 52.037 -0.090 0.000 0.698 1454 A CB 2.076 20.986 19.000 -0.150 0.000 1.289 1454 A HN 1.074 nan 8.150 nan 0.000 0.404 1455 V N 2.047 121.939 119.914 -0.036 0.000 2.487 1455 V HA 0.543 4.663 4.120 0.000 0.000 0.298 1455 V C -0.160 175.878 176.094 -0.094 0.000 1.028 1455 V CA -0.592 61.701 62.300 -0.013 0.000 0.860 1455 V CB 1.782 33.612 31.823 0.013 0.000 0.991 1455 V HN 0.863 nan 8.190 nan 0.000 0.427 1456 K N 4.184 124.550 120.400 -0.057 0.000 2.413 1456 K HA 0.717 5.037 4.320 0.000 0.000 0.257 1456 K C -1.065 175.506 176.600 -0.049 0.000 0.946 1456 K CA -0.487 55.777 56.287 -0.038 0.000 0.823 1456 K CB 1.949 34.462 32.500 0.022 0.000 1.109 1456 K HN 0.576 nan 8.250 nan 0.000 0.427 1457 V N 2.553 122.387 119.914 -0.135 0.000 2.532 1457 V HA 0.664 4.784 4.120 0.000 0.000 0.295 1457 V C -0.823 175.068 176.094 -0.339 0.000 1.041 1457 V CA -0.748 61.330 62.300 -0.370 0.000 0.926 1457 V CB 0.267 31.697 31.823 -0.655 0.000 0.992 1457 V HN 0.820 nan 8.190 nan 0.000 0.457 1458 Y N 0.925 120.905 120.300 -0.533 0.000 2.641 1458 Y HA 0.857 5.407 4.550 0.000 0.000 0.333 1458 Y C -0.201 175.594 175.900 -0.175 0.000 1.174 1458 Y CA -1.172 56.695 58.100 -0.389 0.000 1.057 1458 Y CB 0.881 39.244 38.460 -0.161 0.000 1.322 1458 Y HN 0.921 nan 8.280 nan 0.000 0.457 1459 A N 1.797 124.720 122.820 0.172 0.000 2.371 1459 A HA 0.321 4.641 4.320 0.000 0.000 0.257 1459 A C 0.521 178.119 177.584 0.024 0.000 1.089 1459 A CA -0.028 52.067 52.037 0.097 0.000 0.794 1459 A CB -0.273 18.743 19.000 0.026 0.000 1.029 1459 A HN 1.213 nan 8.150 nan 0.000 0.488 1460 Y N 0.960 121.309 120.300 0.082 0.000 2.207 1460 Y HA -0.299 4.251 4.550 0.000 0.000 0.287 1460 Y C 1.643 177.636 175.900 0.155 0.000 1.156 1460 Y CA 1.944 60.132 58.100 0.147 0.000 1.182 1460 Y CB -0.978 37.562 38.460 0.134 0.000 0.979 1460 Y HN 0.743 nan 8.280 nan 0.000 0.521 1461 Y N 0.594 120.404 120.300 -0.816 0.000 2.561 1461 Y HA 0.220 4.771 4.550 0.000 0.000 0.291 1461 Y C -0.286 175.508 175.900 -0.176 0.000 1.141 1461 Y CA -0.020 57.703 58.100 -0.629 0.000 1.303 1461 Y CB -0.473 37.504 38.460 -0.805 0.000 1.015 1461 Y HN 0.236 nan 8.280 nan 0.000 0.547 1462 N N 0.503 118.842 118.700 -0.601 0.000 2.621 1462 N HA 0.170 4.910 4.740 0.000 0.000 0.271 1462 N C -0.205 175.194 175.510 -0.185 0.000 1.181 1462 N CA -0.309 52.522 53.050 -0.366 0.000 0.805 1462 N CB 0.821 38.992 38.487 -0.526 0.000 1.351 1462 N HN 0.211 nan 8.380 nan 0.000 0.539 1463 L N 2.677 123.809 121.223 -0.152 0.000 2.376 1463 L HA 0.212 4.552 4.340 0.000 0.000 0.219 1463 L C 1.398 178.136 176.870 -0.220 0.000 1.133 1463 L CA 1.744 56.405 54.840 -0.299 0.000 0.816 1463 L CB 0.047 41.888 42.059 -0.363 0.000 0.933 1463 L HN 0.552 nan 8.230 nan 0.000 0.449 1464 E N 0.511 120.642 120.200 -0.116 0.000 2.072 1464 E HA -0.186 4.164 4.350 0.000 0.000 0.191 1464 E C 0.839 177.425 176.600 -0.024 0.000 0.985 1464 E CA 1.189 57.549 56.400 -0.065 0.000 0.801 1464 E CB -0.198 29.482 29.700 -0.034 0.000 0.750 1464 E HN 0.682 nan 8.360 nan 0.000 0.452 1465 E N 1.627 121.831 120.200 0.006 0.000 1.972 1465 E HA 0.110 4.460 4.350 0.000 0.000 0.292 1465 E C -0.570 176.140 176.600 0.184 0.000 1.193 1465 E CA -0.310 56.143 56.400 0.088 0.000 1.228 1465 E CB 0.124 29.883 29.700 0.098 0.000 1.167 1465 E HN 0.040 nan 8.360 nan 0.000 0.479 1466 S N 1.497 117.264 115.700 0.113 0.000 2.689 1466 S HA 0.622 5.092 4.470 0.000 0.000 0.306 1466 S C -0.634 174.026 174.600 0.100 0.000 1.104 1466 S CA -0.962 57.302 58.200 0.106 0.000 0.973 1466 S CB 1.949 65.152 63.200 0.006 0.000 1.121 1466 S HN 0.501 nan 8.310 nan 0.000 0.523 1467 c N 1.384 120.011 118.600 0.045 0.000 2.547 1467 c HA 0.829 5.399 4.570 0.000 0.000 0.313 1467 c C -0.586 173.483 174.090 -0.036 0.000 1.191 1467 c CA 0.024 56.374 56.329 0.036 0.000 1.474 1467 c CB 0.751 43.317 42.510 0.094 0.000 2.081 1467 c HN 0.984 nan 8.230 nan 0.000 0.476 1468 T N 5.157 119.671 114.554 -0.067 0.000 2.812 1468 T HA 0.603 4.953 4.350 0.000 0.000 0.282 1468 T C -0.669 173.875 174.700 -0.260 0.000 0.990 1468 T CA -0.448 61.533 62.100 -0.198 0.000 0.960 1468 T CB 1.110 69.820 68.868 -0.263 0.000 0.948 1468 T HN 0.611 nan 8.240 nan 0.000 0.438 1469 R N 1.517 121.836 120.500 -0.302 0.000 2.711 1469 R HA 0.766 5.106 4.340 0.000 0.000 0.284 1469 R C -1.258 174.812 176.300 -0.383 0.000 0.968 1469 R CA -1.216 54.747 56.100 -0.228 0.000 0.924 1469 R CB 0.695 30.974 30.300 -0.036 0.000 1.162 1469 R HN 0.488 nan 8.270 nan 0.000 0.465 1470 F N 2.060 122.054 119.950 0.073 0.000 2.497 1470 F HA 0.568 5.095 4.527 0.000 0.000 0.331 1470 F C -0.149 175.722 175.800 0.119 0.000 1.060 1470 F CA -0.742 57.281 58.000 0.039 0.000 0.989 1470 F CB 1.113 40.097 39.000 -0.027 0.000 1.245 1470 F HN 0.443 nan 8.300 nan 0.000 0.486 1471 Y N -1.018 119.391 120.300 0.182 0.000 2.544 1471 Y HA 0.710 5.260 4.550 0.000 0.000 0.342 1471 Y C -1.446 174.522 175.900 0.113 0.000 1.062 1471 Y CA -1.034 57.118 58.100 0.087 0.000 1.023 1471 Y CB 1.569 40.020 38.460 -0.015 0.000 1.308 1471 Y HN 0.761 nan 8.280 nan 0.000 0.457 1472 H N 2.800 121.908 119.070 0.063 0.000 3.094 1472 H HA 0.269 4.825 4.556 0.000 0.000 0.346 1472 H C -2.732 172.591 175.328 -0.008 0.000 1.238 1472 H CA -1.985 54.046 56.048 -0.029 0.000 1.209 1472 H CB 3.203 32.930 29.762 -0.058 0.000 1.911 1472 H HN 0.502 nan 8.280 nan 0.000 0.540 1473 P HA -0.081 nan 4.420 nan 0.000 0.219 1473 P C 0.827 178.131 177.300 0.007 0.000 1.150 1473 P CA 1.249 64.260 63.100 -0.148 0.000 0.814 1473 P CB 0.433 31.992 31.700 -0.235 0.000 0.787 1474 E N -1.304 119.002 120.200 0.178 0.000 2.453 1474 E HA 0.113 4.464 4.350 0.000 0.000 0.211 1474 E C 0.334 177.018 176.600 0.140 0.000 0.897 1474 E CA 0.027 56.523 56.400 0.161 0.000 1.063 1474 E CB -0.043 29.727 29.700 0.118 0.000 1.080 1474 E HN 0.122 nan 8.360 nan 0.000 0.512 1475 K N 2.164 122.698 120.400 0.223 0.000 2.297 1475 K HA 0.106 4.426 4.320 0.000 0.000 0.286 1475 K C -0.329 176.279 176.600 0.013 0.000 1.053 1475 K CA -0.213 56.057 56.287 -0.029 0.000 0.940 1475 K CB 1.048 33.379 32.500 -0.282 0.000 1.019 1475 K HN -0.060 nan 8.250 nan 0.000 0.475 1476 E N 3.618 123.806 120.200 -0.020 0.000 2.498 1476 E HA -0.105 4.246 4.350 0.000 0.000 0.252 1476 E C -0.683 175.930 176.600 0.021 0.000 1.025 1476 E CA 0.237 56.638 56.400 0.001 0.000 0.938 1476 E CB -0.072 29.619 29.700 -0.016 0.000 0.947 1476 E HN 0.541 nan 8.360 nan 0.000 0.478 1477 D N 3.512 123.945 120.400 0.054 0.000 2.827 1477 D HA -0.252 4.388 4.640 0.000 0.000 0.217 1477 D C 0.784 177.158 176.300 0.124 0.000 1.233 1477 D CA 1.166 55.224 54.000 0.096 0.000 0.618 1477 D CB -1.628 39.230 40.800 0.096 0.000 0.984 1477 D HN 0.849 nan 8.370 nan 0.000 0.399 1478 G N -1.452 107.407 108.800 0.099 0.000 2.148 1478 G HA2 -0.375 3.585 3.960 0.000 0.000 0.254 1478 G HA3 -0.375 3.585 3.960 0.000 0.000 0.254 1478 G C 0.222 175.072 174.900 -0.084 0.000 0.981 1478 G CA 0.338 45.491 45.100 0.089 0.000 0.670 1478 G HN 0.657 nan 8.290 nan 0.000 0.528 1479 K N 0.636 120.970 120.400 -0.109 0.000 2.258 1479 K HA 0.640 4.960 4.320 0.000 0.000 0.284 1479 K C 1.190 177.666 176.600 -0.205 0.000 1.051 1479 K CA -0.510 55.669 56.287 -0.178 0.000 0.923 1479 K CB 0.583 33.025 32.500 -0.097 0.000 1.046 1479 K HN 0.302 nan 8.250 nan 0.000 0.474 1480 L N 2.835 123.920 121.223 -0.229 0.000 2.499 1480 L HA 0.036 4.376 4.340 0.000 0.000 0.281 1480 L C 0.549 177.342 176.870 -0.129 0.000 1.234 1480 L CA -0.032 54.692 54.840 -0.193 0.000 0.839 1480 L CB 0.217 42.174 42.059 -0.170 0.000 1.104 1480 L HN 0.570 nan 8.230 nan 0.000 0.500 1481 N N 3.512 122.145 118.700 -0.113 0.000 2.488 1481 N HA 0.247 4.987 4.740 0.000 0.000 0.274 1481 N C -0.653 174.891 175.510 0.057 0.000 1.111 1481 N CA -0.101 52.919 53.050 -0.050 0.000 0.974 1481 N CB 1.257 39.674 38.487 -0.117 0.000 1.089 1481 N HN 0.504 nan 8.380 nan 0.000 0.465 1482 K N 0.452 120.954 120.400 0.170 0.000 2.562 1482 K HA 0.356 4.676 4.320 0.000 0.000 0.267 1482 K C -1.847 174.785 176.600 0.052 0.000 0.938 1482 K CA -0.861 55.484 56.287 0.096 0.000 0.840 1482 K CB 1.171 33.683 32.500 0.020 0.000 1.390 1482 K HN 0.092 nan 8.250 nan 0.000 0.428 1483 L N 2.221 123.296 121.223 -0.246 0.000 2.296 1483 L HA 0.506 4.846 4.340 0.000 0.000 0.286 1483 L C -1.211 175.514 176.870 -0.242 0.000 1.023 1483 L CA -0.633 53.846 54.840 -0.600 0.000 0.812 1483 L CB 1.102 42.417 42.059 -1.239 0.000 1.223 1483 L HN 0.846 nan 8.230 nan 0.000 0.421 1484 c N 4.522 123.120 118.600 -0.003 0.000 2.441 1484 c HA 0.625 5.195 4.570 0.000 0.000 0.318 1484 c C 0.170 174.460 174.090 0.334 0.000 1.222 1484 c CA -0.983 55.470 56.329 0.206 0.000 1.474 1484 c CB 1.771 44.344 42.510 0.104 0.000 2.125 1484 c HN 0.779 nan 8.230 nan 0.000 0.479 1485 R N 2.794 123.474 120.500 0.301 0.000 2.412 1485 R HA 0.328 4.669 4.340 0.000 0.000 0.304 1485 R C -0.199 176.108 176.300 0.012 0.000 1.066 1485 R CA 0.008 56.164 56.100 0.094 0.000 0.923 1485 R CB 0.264 30.452 30.300 -0.187 0.000 1.156 1485 R HN 1.042 nan 8.270 nan 0.000 0.513 1486 D N 2.025 122.437 120.400 0.019 0.000 3.955 1486 D HA -0.274 4.366 4.640 0.000 0.000 0.142 1486 D C -0.097 176.219 176.300 0.027 0.000 0.877 1486 D CA 1.530 55.535 54.000 0.009 0.000 1.100 1486 D CB -0.187 40.602 40.800 -0.019 0.000 0.533 1486 D HN 0.709 nan 8.370 nan 0.000 0.546 1487 E N 0.351 120.561 120.200 0.016 0.000 2.463 1487 E HA 0.173 4.523 4.350 0.000 0.000 0.193 1487 E C 0.375 176.997 176.600 0.037 0.000 1.041 1487 E CA -0.124 56.291 56.400 0.025 0.000 0.879 1487 E CB 0.339 30.048 29.700 0.015 0.000 0.997 1487 E HN 0.165 nan 8.360 nan 0.000 0.478 1488 L N 1.266 122.517 121.223 0.048 0.000 2.265 1488 L HA 0.266 4.606 4.340 0.000 0.000 0.289 1488 L C -0.811 176.155 176.870 0.159 0.000 1.033 1488 L CA -0.202 54.684 54.840 0.077 0.000 0.814 1488 L CB 0.710 42.794 42.059 0.042 0.000 1.203 1488 L HN -0.065 nan 8.230 nan 0.000 0.423 1489 c N 4.585 123.262 118.600 0.128 0.000 2.397 1489 c HA 0.799 5.369 4.570 0.000 0.000 0.343 1489 c C -0.125 174.033 174.090 0.112 0.000 1.188 1489 c CA -0.799 55.605 56.329 0.125 0.000 1.992 1489 c CB 1.424 43.971 42.510 0.061 0.000 2.358 1489 c HN 0.917 nan 8.230 nan 0.000 0.518 1490 R N 1.043 121.575 120.500 0.053 0.000 2.686 1490 R HA 0.626 4.966 4.340 0.000 0.000 0.283 1490 R C -0.953 175.322 176.300 -0.042 0.000 0.978 1490 R CA -0.300 55.809 56.100 0.016 0.000 0.897 1490 R CB 0.697 31.016 30.300 0.033 0.000 1.192 1490 R HN 0.737 nan 8.270 nan 0.000 0.457 1491 C N 2.266 121.557 119.300 -0.016 0.000 2.662 1491 C HA 0.501 4.961 4.460 0.000 0.000 0.420 1491 C C 0.979 175.960 174.990 -0.015 0.000 1.314 1491 C CA 0.533 59.541 59.018 -0.015 0.000 1.963 1491 C CB -0.105 27.628 27.740 -0.011 0.000 2.686 1491 C HN 0.858 nan 8.230 nan 0.000 0.609 1492 A N 4.572 127.399 122.820 0.012 0.000 2.812 1492 A HA 0.358 4.678 4.320 0.000 0.000 0.294 1492 A C 0.236 177.826 177.584 0.010 0.000 1.014 1492 A CA 0.000 52.061 52.037 0.039 0.000 1.024 1492 A CB -0.102 18.992 19.000 0.157 0.000 1.162 1492 A HN 0.843 nan 8.150 nan 0.000 0.511 1493 E N 1.881 122.072 120.200 -0.015 0.000 2.698 1493 E HA 0.156 4.506 4.350 0.000 0.000 0.242 1493 E C -0.223 176.359 176.600 -0.029 0.000 1.243 1493 E CA 0.139 56.517 56.400 -0.037 0.000 1.483 1493 E CB 0.070 29.738 29.700 -0.053 0.000 1.495 1493 E HN 0.898 nan 8.360 nan 0.000 0.440 1494 E N -0.662 119.525 120.200 -0.021 0.000 2.423 1494 E HA 0.396 4.746 4.350 0.000 0.000 0.269 1494 E C -0.307 176.272 176.600 -0.034 0.000 0.948 1494 E CA -1.056 55.331 56.400 -0.021 0.000 0.802 1494 E CB 0.629 30.326 29.700 -0.006 0.000 1.339 1494 E HN -0.226 nan 8.360 nan 0.000 0.445 1495 N N -0.109 118.559 118.700 -0.054 0.000 2.283 1495 N HA -0.068 4.672 4.740 0.000 0.000 0.236 1495 N C 0.547 176.005 175.510 -0.085 0.000 1.252 1495 N CA 0.005 52.994 53.050 -0.103 0.000 0.856 1495 N CB 0.259 38.664 38.487 -0.137 0.000 1.099 1495 N HN 0.530 nan 8.380 nan 0.000 0.444 1496 c N 0.340 118.849 118.600 -0.151 0.000 2.446 1496 c HA 0.108 4.678 4.570 0.000 0.000 0.279 1496 c C 0.540 174.740 174.090 0.184 0.000 1.366 1496 c CA 0.389 56.718 56.329 0.000 0.000 1.763 1496 c CB -1.542 40.982 42.510 0.023 0.000 1.929 1496 c HN 0.759 nan 8.230 nan 0.000 0.509 1497 F N -4.014 115.897 119.950 -0.065 0.000 3.132 1497 F HA 0.435 4.962 4.527 0.000 0.000 0.331 1497 F C -1.094 174.642 175.800 -0.106 0.000 1.108 1497 F CA -1.675 56.271 58.000 -0.090 0.000 0.858 1497 F CB -0.175 38.732 39.000 -0.155 0.000 1.420 1497 F HN -0.295 nan 8.300 nan 0.000 0.454 1498 I N 3.490 124.109 120.570 0.081 0.000 2.662 1498 I HA 0.072 4.242 4.170 0.000 0.000 0.285 1498 I C 0.869 176.894 176.117 -0.154 0.000 1.161 1498 I CA 0.767 62.059 61.300 -0.013 0.000 1.415 1498 I CB 0.497 38.573 38.000 0.127 0.000 1.385 1498 I HN 0.899 nan 8.210 nan 0.000 0.552 1499 Q N 6.083 125.774 119.800 -0.182 0.000 2.012 1499 Q HA -0.295 4.045 4.340 0.000 0.000 0.448 1499 Q C -0.810 175.077 176.000 -0.188 0.000 0.804 1499 Q CA 1.435 57.140 55.803 -0.164 0.000 0.803 1499 Q CB -0.332 28.376 28.738 -0.051 0.000 3.809 1499 Q HN 0.693 nan 8.270 nan 0.000 0.841 1504 K N -0.283 120.133 120.400 0.027 0.000 2.432 1504 K HA 0.022 4.342 4.320 0.000 0.000 0.143 1504 K C -0.475 176.149 176.600 0.040 0.000 2.184 1504 K CA 0.899 57.202 56.287 0.027 0.000 1.300 1504 K CB 0.063 32.578 32.500 0.025 0.000 2.435 1504 K HN 0.380 nan 8.250 nan 0.000 0.512 1505 V N 2.387 122.344 119.914 0.071 0.000 3.973 1505 V HA -0.145 3.975 4.120 0.000 0.000 0.478 1505 V C -0.170 175.963 176.094 0.065 0.000 0.682 1505 V CA 1.030 63.395 62.300 0.108 0.000 1.931 1505 V CB -2.810 29.100 31.823 0.145 0.000 2.329 1505 V HN 0.805 nan 8.190 nan 0.000 0.500 1506 T N 2.550 117.138 114.554 0.058 0.000 2.952 1506 T HA 0.711 5.061 4.350 0.000 0.000 0.286 1506 T C 1.041 175.756 174.700 0.024 0.000 1.024 1506 T CA -0.274 61.845 62.100 0.032 0.000 1.029 1506 T CB 2.214 71.098 68.868 0.027 0.000 1.094 1506 T HN 0.796 nan 8.240 nan 0.000 0.515 1507 L N 0.341 121.578 121.223 0.023 0.000 2.034 1507 L HA -0.219 4.121 4.340 0.000 0.000 0.217 1507 L C 2.509 179.410 176.870 0.052 0.000 1.077 1507 L CA 2.157 57.026 54.840 0.048 0.000 0.769 1507 L CB -0.528 41.563 42.059 0.053 0.000 0.890 1507 L HN 0.802 nan 8.230 nan 0.000 0.435 1508 E N -0.120 120.095 120.200 0.026 0.000 2.051 1508 E HA -0.203 4.147 4.350 0.000 0.000 0.192 1508 E C 2.087 178.688 176.600 0.001 0.000 0.991 1508 E CA 1.387 57.792 56.400 0.009 0.000 0.799 1508 E CB -0.162 29.538 29.700 0.000 0.000 0.748 1508 E HN 0.526 nan 8.360 nan 0.000 0.449 1509 E N 0.431 120.636 120.200 0.009 0.000 2.106 1509 E HA -0.157 4.193 4.350 0.000 0.000 0.192 1509 E C 2.188 178.760 176.600 -0.045 0.000 0.984 1509 E CA 0.670 57.074 56.400 0.006 0.000 0.806 1509 E CB -0.250 29.482 29.700 0.054 0.000 0.750 1509 E HN 0.207 nan 8.360 nan 0.000 0.458 1510 R N 0.529 120.991 120.500 -0.064 0.000 2.091 1510 R HA -0.074 4.266 4.340 0.000 0.000 0.238 1510 R C 2.610 178.871 176.300 -0.065 0.000 1.136 1510 R CA 0.987 56.982 56.100 -0.176 0.000 0.959 1510 R CB -0.247 29.879 30.300 -0.290 0.000 0.856 1510 R HN 0.161 nan 8.270 nan 0.000 0.437 1511 L N 0.319 121.583 121.223 0.069 0.000 2.027 1511 L HA -0.198 4.142 4.340 0.000 0.000 0.206 1511 L C 1.829 178.628 176.870 -0.119 0.000 1.074 1511 L CA 1.212 56.068 54.840 0.026 0.000 0.745 1511 L CB -0.474 41.585 42.059 0.000 0.000 0.898 1511 L HN 0.183 nan 8.230 nan 0.000 0.433 1512 D N 0.376 120.717 120.400 -0.098 0.000 2.106 1512 D HA -0.222 4.418 4.640 0.000 0.000 0.191 1512 D C 2.154 178.359 176.300 -0.158 0.000 0.997 1512 D CA 1.446 55.382 54.000 -0.108 0.000 0.834 1512 D CB -0.143 40.621 40.800 -0.060 0.000 0.956 1512 D HN 0.222 nan 8.370 nan 0.000 0.448 1513 K N 0.194 120.488 120.400 -0.177 0.000 2.097 1513 K HA 0.028 4.348 4.320 0.000 0.000 0.205 1513 K C 1.969 178.260 176.600 -0.515 0.000 1.050 1513 K CA 1.029 57.205 56.287 -0.184 0.000 0.938 1513 K CB -0.032 32.459 32.500 -0.015 0.000 0.718 1513 K HN 0.045 nan 8.250 nan 0.000 0.442 1514 A N -0.019 122.235 122.820 -0.942 0.000 2.167 1514 A HA -0.067 4.253 4.320 0.000 0.000 0.214 1514 A C 1.724 178.901 177.584 -0.679 0.000 1.151 1514 A CA 0.697 51.888 52.037 -1.409 0.000 0.735 1514 A CB -0.214 17.988 19.000 -1.330 0.000 0.802 1514 A HN 0.349 nan 8.150 nan 0.000 0.467 1515 c N 0.093 118.442 118.600 -0.419 0.000 2.974 1515 c HA 0.259 4.829 4.570 0.000 0.000 0.282 1515 c C 0.821 174.800 174.090 -0.186 0.000 1.292 1515 c CA -0.730 55.443 56.329 -0.260 0.000 1.710 1515 c CB -1.369 41.022 42.510 -0.198 0.000 2.036 1515 c HN 0.564 nan 8.230 nan 0.000 0.629 1516 E N 1.734 121.819 120.200 -0.192 0.000 2.418 1516 E HA 0.034 4.384 4.350 0.000 0.000 0.261 1516 E C -1.451 175.095 176.600 -0.091 0.000 1.070 1516 E CA -0.721 55.613 56.400 -0.110 0.000 0.931 1516 E CB 0.696 30.352 29.700 -0.074 0.000 0.954 1516 E HN 0.172 nan 8.360 nan 0.000 0.439 1517 P HA -0.102 nan 4.420 nan 0.000 0.218 1517 P C 0.877 178.159 177.300 -0.029 0.000 1.149 1517 P CA 1.068 64.145 63.100 -0.038 0.000 0.817 1517 P CB 0.249 31.936 31.700 -0.021 0.000 0.785 1518 G N -1.010 107.776 108.800 -0.024 0.000 2.939 1518 G HA2 0.046 4.006 3.960 0.000 0.000 0.210 1518 G HA3 0.046 4.006 3.960 0.000 0.000 0.210 1518 G C 0.240 175.127 174.900 -0.022 0.000 1.160 1518 G CA -0.049 45.046 45.100 -0.009 0.000 0.770 1518 G HN 0.129 nan 8.290 nan 0.000 0.543 1519 V N 1.484 121.360 119.914 -0.064 0.000 2.450 1519 V HA 0.073 4.193 4.120 0.000 0.000 0.281 1519 V C 0.992 177.033 176.094 -0.087 0.000 1.019 1519 V CA 0.567 62.798 62.300 -0.114 0.000 1.062 1519 V CB 1.261 32.933 31.823 -0.251 0.000 0.979 1519 V HN 0.319 nan 8.190 nan 0.000 0.477 1520 D N 3.220 123.585 120.400 -0.059 0.000 2.380 1520 D HA 0.102 4.742 4.640 0.000 0.000 0.212 1520 D C 0.031 176.443 176.300 0.187 0.000 1.021 1520 D CA 0.297 54.353 54.000 0.093 0.000 0.884 1520 D CB 0.450 41.375 40.800 0.209 0.000 1.001 1520 D HN 0.662 nan 8.370 nan 0.000 0.506 1521 Y N -2.036 118.300 120.300 0.060 0.000 2.544 1521 Y HA 0.659 5.209 4.550 0.000 0.000 0.342 1521 Y C -1.637 174.204 175.900 -0.099 0.000 1.062 1521 Y CA -1.487 56.579 58.100 -0.057 0.000 1.023 1521 Y CB 1.138 39.502 38.460 -0.160 0.000 1.308 1521 Y HN -0.298 nan 8.280 nan 0.000 0.457 1522 V N 3.784 123.684 119.914 -0.024 0.000 2.623 1522 V HA 0.471 4.591 4.120 0.000 0.000 0.304 1522 V C -1.504 174.781 176.094 0.318 0.000 1.054 1522 V CA -0.812 61.592 62.300 0.173 0.000 0.882 1522 V CB 1.302 33.282 31.823 0.262 0.000 1.002 1522 V HN 0.730 nan 8.190 nan 0.000 0.424 1523 Y N 1.891 122.504 120.300 0.521 0.000 2.499 1523 Y HA 0.571 5.121 4.550 0.000 0.000 0.347 1523 Y C 0.084 176.217 175.900 0.387 0.000 0.987 1523 Y CA -1.854 56.485 58.100 0.398 0.000 1.044 1523 Y CB 1.894 40.562 38.460 0.346 0.000 1.245 1523 Y HN 0.539 nan 8.280 nan 0.000 0.461 1524 K N 1.803 122.480 120.400 0.461 0.000 2.227 1524 K HA 0.554 4.874 4.320 0.000 0.000 0.280 1524 K C -0.581 176.128 176.600 0.181 0.000 1.041 1524 K CA -0.205 56.246 56.287 0.273 0.000 0.905 1524 K CB 0.579 33.032 32.500 -0.079 0.000 1.068 1524 K HN 0.887 nan 8.250 nan 0.000 0.470 1525 T N 0.973 115.635 114.554 0.180 0.000 2.916 1525 T HA 0.463 4.813 4.350 0.000 0.000 0.292 1525 T C -0.758 173.962 174.700 0.034 0.000 1.055 1525 T CA -1.073 61.085 62.100 0.097 0.000 1.009 1525 T CB 1.652 70.553 68.868 0.055 0.000 1.118 1525 T HN 0.648 nan 8.240 nan 0.000 0.497 1526 R N 1.168 121.619 120.500 -0.082 0.000 2.534 1526 R HA 0.581 4.921 4.340 0.000 0.000 0.301 1526 R C -1.328 174.907 176.300 -0.109 0.000 0.961 1526 R CA -1.046 54.875 56.100 -0.299 0.000 0.871 1526 R CB 1.267 31.335 30.300 -0.387 0.000 1.170 1526 R HN 0.566 nan 8.270 nan 0.000 0.446 1527 L N 6.274 127.468 121.223 -0.048 0.000 2.342 1527 L HA 0.134 4.474 4.340 0.000 0.000 0.285 1527 L C 0.359 177.231 176.870 0.003 0.000 1.095 1527 L CA 0.466 55.322 54.840 0.027 0.000 0.843 1527 L CB 1.255 43.384 42.059 0.117 0.000 1.201 1527 L HN 0.665 nan 8.230 nan 0.000 0.445 1528 V N 3.813 123.735 119.914 0.013 0.000 2.331 1528 V HA 0.056 4.176 4.120 0.000 0.000 0.242 1528 V C 0.891 177.004 176.094 0.032 0.000 1.034 1528 V CA 0.923 63.230 62.300 0.012 0.000 1.027 1528 V CB -0.485 31.346 31.823 0.014 0.000 0.667 1528 V HN 0.770 nan 8.190 nan 0.000 0.457 1529 K N 0.012 120.444 120.400 0.053 0.000 2.513 1529 K HA 0.531 4.851 4.320 0.000 0.000 0.251 1529 K C -1.783 174.858 176.600 0.070 0.000 0.939 1529 K CA -0.432 55.885 56.287 0.051 0.000 0.793 1529 K CB 2.491 35.012 32.500 0.035 0.000 1.241 1529 K HN -0.004 nan 8.250 nan 0.000 0.431 1530 V N 4.443 124.393 119.914 0.061 0.000 2.394 1530 V HA 0.286 4.406 4.120 0.000 0.000 0.282 1530 V C -0.546 175.521 176.094 -0.044 0.000 1.031 1530 V CA -0.565 61.750 62.300 0.025 0.000 0.881 1530 V CB 1.381 33.258 31.823 0.089 0.000 0.982 1530 V HN 0.738 nan 8.190 nan 0.000 0.451 1531 Q N 4.617 124.346 119.800 -0.119 0.000 2.368 1531 Q HA 0.492 4.832 4.340 0.000 0.000 0.263 1531 Q C -1.325 174.595 176.000 -0.134 0.000 1.009 1531 Q CA -0.886 54.862 55.803 -0.091 0.000 0.818 1531 Q CB 2.085 30.788 28.738 -0.058 0.000 1.239 1531 Q HN 0.426 nan 8.270 nan 0.000 0.464 1532 L N 2.188 123.359 121.223 -0.087 0.000 2.350 1532 L HA 0.463 4.803 4.340 0.000 0.000 0.275 1532 L C 0.488 177.330 176.870 -0.046 0.000 1.099 1532 L CA 0.447 55.240 54.840 -0.078 0.000 0.808 1532 L CB 1.355 43.388 42.059 -0.043 0.000 1.149 1532 L HN 0.803 nan 8.230 nan 0.000 0.442 1533 S N 1.570 117.247 115.700 -0.039 0.000 2.819 1533 S HA 0.454 4.925 4.470 0.000 0.000 0.299 1533 S C 0.623 175.208 174.600 -0.025 0.000 1.192 1533 S CA -0.613 57.577 58.200 -0.016 0.000 0.847 1533 S CB 0.737 63.943 63.200 0.010 0.000 1.224 1533 S HN 0.419 nan 8.310 nan 0.000 0.537 1534 N N 1.705 120.397 118.700 -0.014 0.000 2.120 1534 N HA -0.029 4.711 4.740 0.000 0.000 0.188 1534 N C 0.972 176.440 175.510 -0.070 0.000 1.024 1534 N CA 2.225 55.258 53.050 -0.028 0.000 0.852 1534 N CB -0.292 38.191 38.487 -0.007 0.000 1.003 1534 N HN 0.774 nan 8.380 nan 0.000 0.424 1535 D N -2.009 118.350 120.400 -0.068 0.000 2.597 1535 D HA 0.077 4.717 4.640 0.000 0.000 0.261 1535 D C -0.422 175.562 176.300 -0.526 0.000 1.023 1535 D CA 0.270 54.139 54.000 -0.219 0.000 0.927 1535 D CB -0.087 40.699 40.800 -0.024 0.000 1.168 1535 D HN 0.074 nan 8.370 nan 0.000 0.491 1536 F N 1.339 121.260 119.950 -0.048 0.000 2.561 1536 F HA 0.335 4.862 4.527 0.000 0.000 0.313 1536 F C -0.517 175.232 175.800 -0.086 0.000 1.126 1536 F CA -1.166 56.799 58.000 -0.059 0.000 0.918 1536 F CB 1.957 40.916 39.000 -0.069 0.000 1.199 1536 F HN -0.319 nan 8.300 nan 0.000 0.444 1537 D N 2.807 123.219 120.400 0.020 0.000 2.255 1537 D HA 0.223 4.863 4.640 0.000 0.000 0.249 1537 D C -0.457 175.670 176.300 -0.288 0.000 1.078 1537 D CA -0.193 53.692 54.000 -0.192 0.000 0.896 1537 D CB 1.511 42.111 40.800 -0.333 0.000 1.194 1537 D HN 0.559 nan 8.370 nan 0.000 0.429 1538 E N 1.036 121.022 120.200 -0.356 0.000 2.171 1538 E HA 0.285 4.635 4.350 0.000 0.000 0.271 1538 E C -0.924 175.436 176.600 -0.400 0.000 0.916 1538 E CA -0.711 55.540 56.400 -0.248 0.000 0.774 1538 E CB 1.357 31.021 29.700 -0.061 0.000 1.128 1538 E HN 0.324 nan 8.360 nan 0.000 0.403 1539 Y N 1.983 122.350 120.300 0.112 0.000 2.464 1539 Y HA 0.336 4.886 4.550 0.000 0.000 0.326 1539 Y C -0.030 175.943 175.900 0.121 0.000 0.969 1539 Y CA -0.728 57.415 58.100 0.071 0.000 1.270 1539 Y CB 0.545 39.006 38.460 0.002 0.000 1.103 1539 Y HN 0.401 nan 8.280 nan 0.000 0.491 1540 I N 5.225 125.910 120.570 0.192 0.000 2.329 1540 I HA 0.124 4.294 4.170 0.000 0.000 0.295 1540 I C -0.317 175.878 176.117 0.130 0.000 1.109 1540 I CA 0.225 61.621 61.300 0.160 0.000 1.297 1540 I CB 0.020 38.078 38.000 0.096 0.000 1.433 1540 I HN 0.420 nan 8.210 nan 0.000 0.509 1541 M N 5.404 125.098 119.600 0.158 0.000 2.209 1541 M HA 0.444 4.924 4.480 0.000 0.000 0.355 1541 M C 0.196 176.528 176.300 0.052 0.000 1.171 1541 M CA -0.490 54.848 55.300 0.064 0.000 1.069 1541 M CB 1.398 33.980 32.600 -0.029 0.000 1.622 1541 M HN 0.531 nan 8.290 nan 0.000 0.459 1542 A N 4.948 127.772 122.820 0.008 0.000 2.409 1542 A HA 0.526 4.846 4.320 0.000 0.000 0.262 1542 A C 0.067 177.632 177.584 -0.031 0.000 1.113 1542 A CA -0.412 51.618 52.037 -0.012 0.000 0.790 1542 A CB -0.145 18.844 19.000 -0.019 0.000 1.046 1542 A HN 0.866 nan 8.150 nan 0.000 0.496 1543 I N 3.253 123.779 120.570 -0.072 0.000 2.281 1543 I HA 0.092 4.262 4.170 0.000 0.000 0.293 1543 I C 0.937 177.007 176.117 -0.078 0.000 1.085 1543 I CA 0.114 61.333 61.300 -0.135 0.000 1.257 1543 I CB 0.631 38.407 38.000 -0.373 0.000 1.430 1543 I HN 0.888 nan 8.210 nan 0.000 0.489 1544 E N 4.977 125.163 120.200 -0.023 0.000 2.112 1544 E HA -0.087 4.263 4.350 0.000 0.000 0.190 1544 E C 0.122 176.716 176.600 -0.009 0.000 0.979 1544 E CA 0.736 57.127 56.400 -0.015 0.000 0.814 1544 E CB 0.301 29.997 29.700 -0.007 0.000 0.762 1544 E HN 0.673 nan 8.360 nan 0.000 0.460 1545 Q N 0.077 119.896 119.800 0.031 0.000 2.315 1545 Q HA 0.285 4.625 4.340 0.000 0.000 0.273 1545 Q C -0.991 175.120 176.000 0.186 0.000 1.053 1545 Q CA -0.734 55.115 55.803 0.078 0.000 0.817 1545 Q CB 1.262 30.044 28.738 0.073 0.000 1.326 1545 Q HN -0.151 nan 8.270 nan 0.000 0.423 1546 T N 0.505 115.171 114.554 0.187 0.000 3.185 1546 T HA 0.301 4.651 4.350 0.000 0.000 0.287 1546 T C 0.954 175.836 174.700 0.304 0.000 1.051 1546 T CA -0.386 61.931 62.100 0.363 0.000 1.051 1546 T CB -0.490 68.546 68.868 0.279 0.000 1.034 1546 T HN 0.643 nan 8.240 nan 0.000 0.685 1547 I N 0.702 121.477 120.570 0.342 0.000 2.226 1547 I HA -0.024 4.146 4.170 0.000 0.000 0.245 1547 I C 1.542 177.756 176.117 0.161 0.000 1.100 1547 I CA 1.232 62.670 61.300 0.231 0.000 1.374 1547 I CB 0.024 38.194 38.000 0.283 0.000 1.057 1547 I HN 0.479 nan 8.210 nan 0.000 0.413 1548 K N 0.660 121.183 120.400 0.204 0.000 2.426 1548 K HA 0.378 4.698 4.320 0.000 0.000 0.254 1548 K C -1.085 175.665 176.600 0.251 0.000 0.936 1548 K CA -0.351 56.026 56.287 0.150 0.000 0.801 1548 K CB 1.767 34.303 32.500 0.059 0.000 1.139 1548 K HN -0.124 nan 8.250 nan 0.000 0.424 1549 S N 1.191 117.025 115.700 0.224 0.000 2.554 1549 S HA 0.572 5.042 4.470 0.000 0.000 0.278 1549 S C 0.061 174.808 174.600 0.245 0.000 1.242 1549 S CA -0.581 57.786 58.200 0.279 0.000 1.051 1549 S CB 1.622 64.943 63.200 0.203 0.000 0.986 1549 S HN 0.812 nan 8.310 nan 0.000 0.502 1550 G N 0.945 109.934 108.800 0.314 0.000 3.234 1550 G HA2 0.362 4.322 3.960 0.000 0.000 0.159 1550 G HA3 0.362 4.322 3.960 0.000 0.000 0.159 1550 G C 0.793 175.826 174.900 0.223 0.000 1.175 1550 G CA -0.091 45.182 45.100 0.288 0.000 0.900 1550 G HN 0.659 nan 8.290 nan 0.000 0.621 1551 S N -0.757 115.076 115.700 0.222 0.000 2.496 1551 S HA 0.044 4.514 4.470 0.000 0.000 0.224 1551 S C 0.553 175.117 174.600 -0.060 0.000 0.996 1551 S CA 0.625 58.870 58.200 0.075 0.000 0.927 1551 S CB 0.067 63.312 63.200 0.074 0.000 0.774 1551 S HN 0.399 nan 8.310 nan 0.000 0.524 1552 D N 3.260 123.615 120.400 -0.075 0.000 2.352 1552 D HA 0.097 4.737 4.640 0.000 0.000 0.245 1552 D C -0.433 175.902 176.300 0.057 0.000 1.224 1552 D CA -0.122 53.809 54.000 -0.114 0.000 0.879 1552 D CB 0.302 41.029 40.800 -0.123 0.000 1.057 1552 D HN 0.189 nan 8.370 nan 0.000 0.491 1553 E N 2.868 123.073 120.200 0.008 0.000 2.081 1553 E HA 0.108 4.458 4.350 0.000 0.000 0.270 1553 E C -0.446 176.172 176.600 0.029 0.000 1.180 1553 E CA -0.164 56.256 56.400 0.033 0.000 0.926 1553 E CB 1.354 31.058 29.700 0.007 0.000 1.035 1553 E HN 0.162 nan 8.360 nan 0.000 0.418 1554 V N 3.607 123.552 119.914 0.051 0.000 2.487 1554 V HA 0.169 4.289 4.120 0.000 0.000 0.298 1554 V C -0.571 175.521 176.094 -0.003 0.000 1.028 1554 V CA -0.741 61.565 62.300 0.009 0.000 0.860 1554 V CB 2.029 33.836 31.823 -0.026 0.000 0.991 1554 V HN 0.460 nan 8.190 nan 0.000 0.427 1555 Q N 3.174 122.966 119.800 -0.013 0.000 2.317 1555 Q HA 0.477 4.817 4.340 0.000 0.000 0.229 1555 Q C -0.409 175.575 176.000 -0.027 0.000 0.984 1555 Q CA -0.099 55.697 55.803 -0.011 0.000 0.911 1555 Q CB 1.666 30.399 28.738 -0.008 0.000 1.217 1555 Q HN 0.663 nan 8.270 nan 0.000 0.501 1556 V N 1.871 121.775 119.914 -0.018 0.000 2.485 1556 V HA 0.314 4.434 4.120 0.000 0.000 0.287 1556 V C 1.238 177.316 176.094 -0.027 0.000 1.022 1556 V CA 1.757 64.042 62.300 -0.024 0.000 1.067 1556 V CB 0.217 32.034 31.823 -0.009 0.000 0.967 1556 V HN 0.973 nan 8.190 nan 0.000 0.479 1557 G N 3.929 112.706 108.800 -0.038 0.000 2.175 1557 G HA2 -0.239 3.721 3.960 0.000 0.000 0.244 1557 G HA3 -0.239 3.721 3.960 0.000 0.000 0.244 1557 G C 0.200 175.083 174.900 -0.029 0.000 0.982 1557 G CA 0.168 45.251 45.100 -0.029 0.000 0.641 1557 G HN 0.647 nan 8.290 nan 0.000 0.527 1558 Q N 0.678 120.455 119.800 -0.038 0.000 2.337 1558 Q HA 0.445 4.785 4.340 0.000 0.000 0.270 1558 Q C 0.624 176.608 176.000 -0.028 0.000 1.002 1558 Q CA 0.282 56.067 55.803 -0.030 0.000 0.888 1558 Q CB 0.346 29.064 28.738 -0.033 0.000 1.222 1558 Q HN 0.599 nan 8.270 nan 0.000 0.400 1559 Q N 2.482 122.281 119.800 -0.002 0.000 2.314 1559 Q HA 0.267 4.607 4.340 0.000 0.000 0.258 1559 Q C -0.558 175.467 176.000 0.041 0.000 0.954 1559 Q CA -0.029 55.789 55.803 0.024 0.000 0.890 1559 Q CB 0.945 29.704 28.738 0.035 0.000 1.210 1559 Q HN 0.246 nan 8.270 nan 0.000 0.410 1560 R N 1.153 121.699 120.500 0.076 0.000 2.803 1560 R HA 0.468 4.808 4.340 0.000 0.000 0.276 1560 R C -0.778 175.630 176.300 0.180 0.000 0.978 1560 R CA -0.680 55.477 56.100 0.095 0.000 0.939 1560 R CB 1.976 32.272 30.300 -0.007 0.000 1.179 1560 R HN 0.511 nan 8.270 nan 0.000 0.472 1561 T N 2.922 117.572 114.554 0.159 0.000 2.744 1561 T HA 0.441 4.791 4.350 0.000 0.000 0.291 1561 T C -0.453 174.375 174.700 0.212 0.000 0.957 1561 T CA -0.110 62.119 62.100 0.216 0.000 1.002 1561 T CB 0.093 69.051 68.868 0.150 0.000 0.919 1561 T HN 0.145 nan 8.240 nan 0.000 0.468 1562 F N 2.975 123.037 119.950 0.188 0.000 2.421 1562 F HA 0.575 5.102 4.527 0.000 0.000 0.337 1562 F C 0.406 176.359 175.800 0.255 0.000 1.105 1562 F CA -1.335 56.810 58.000 0.242 0.000 1.049 1562 F CB 0.802 39.916 39.000 0.191 0.000 1.139 1562 F HN 0.347 nan 8.300 nan 0.000 0.479 1563 I N 1.875 122.652 120.570 0.345 0.000 2.441 1563 I HA 0.495 4.665 4.170 0.000 0.000 0.295 1563 I C -0.248 176.048 176.117 0.299 0.000 0.994 1563 I CA -0.445 60.994 61.300 0.233 0.000 1.144 1563 I CB 1.979 39.998 38.000 0.032 0.000 1.314 1563 I HN 0.465 nan 8.210 nan 0.000 0.445 1564 S N 5.927 121.835 115.700 0.346 0.000 2.548 1564 S HA 0.567 5.038 4.470 0.000 0.000 0.276 1564 S C -2.764 171.988 174.600 0.254 0.000 1.129 1564 S CA -1.422 56.979 58.200 0.334 0.000 0.931 1564 S CB 1.938 65.360 63.200 0.370 0.000 1.068 1564 S HN 0.179 nan 8.310 nan 0.000 0.480 1565 P HA 0.131 nan 4.420 nan 0.000 0.268 1565 P C 1.155 178.343 177.300 -0.188 0.000 1.204 1565 P CA -0.189 62.713 63.100 -0.330 0.000 0.768 1565 P CB 0.298 31.840 31.700 -0.264 0.000 0.842 1566 I N 3.753 124.161 120.570 -0.271 0.000 2.381 1566 I HA -0.301 3.869 4.170 0.000 0.000 0.255 1566 I C 1.717 177.785 176.117 -0.081 0.000 1.140 1566 I CA 1.918 63.136 61.300 -0.136 0.000 1.404 1566 I CB -0.121 37.789 38.000 -0.149 0.000 1.075 1566 I HN 0.446 nan 8.210 nan 0.000 0.433 1567 K N -0.386 119.950 120.400 -0.107 0.000 2.504 1567 K HA -0.090 4.230 4.320 0.000 0.000 0.195 1567 K C 1.559 178.148 176.600 -0.018 0.000 1.036 1567 K CA 1.154 57.406 56.287 -0.058 0.000 0.984 1567 K CB -0.459 31.997 32.500 -0.073 0.000 0.788 1567 K HN 0.291 nan 8.250 nan 0.000 0.488 1568 c N 0.605 119.207 118.600 0.004 0.000 2.791 1568 c HA 0.302 4.872 4.570 0.000 0.000 0.270 1568 c C 2.249 176.389 174.090 0.085 0.000 1.257 1568 c CA -0.610 55.756 56.329 0.062 0.000 1.699 1568 c CB -1.028 41.543 42.510 0.101 0.000 1.904 1568 c HN 0.583 nan 8.230 nan 0.000 0.603 1569 R N 1.640 122.177 120.500 0.062 0.000 2.075 1569 R HA -0.111 4.229 4.340 0.000 0.000 0.232 1569 R C 2.130 178.462 176.300 0.054 0.000 1.126 1569 R CA 1.458 57.606 56.100 0.080 0.000 0.963 1569 R CB -0.159 30.174 30.300 0.055 0.000 0.858 1569 R HN 0.571 nan 8.270 nan 0.000 0.435 1570 E N -0.689 119.533 120.200 0.037 0.000 2.107 1570 E HA -0.134 4.216 4.350 0.000 0.000 0.191 1570 E C 1.602 178.222 176.600 0.034 0.000 0.982 1570 E CA 0.969 57.384 56.400 0.025 0.000 0.809 1570 E CB 0.034 29.742 29.700 0.014 0.000 0.756 1570 E HN 0.470 nan 8.360 nan 0.000 0.459 1571 A N 0.478 123.339 122.820 0.069 0.000 1.970 1571 A HA -0.036 4.284 4.320 0.000 0.000 0.216 1571 A C 2.047 179.737 177.584 0.178 0.000 1.170 1571 A CA 0.536 52.656 52.037 0.139 0.000 0.645 1571 A CB -0.271 18.825 19.000 0.160 0.000 0.816 1571 A HN 0.224 nan 8.150 nan 0.000 0.447 1572 L N -0.860 120.399 121.223 0.059 0.000 2.131 1572 L HA -0.098 4.242 4.340 0.000 0.000 0.206 1572 L C 0.857 177.593 176.870 -0.224 0.000 1.087 1572 L CA 0.998 55.700 54.840 -0.231 0.000 0.767 1572 L CB -0.352 41.532 42.059 -0.292 0.000 0.917 1572 L HN 0.495 nan 8.230 nan 0.000 0.441 1573 K N 0.716 121.055 120.400 -0.101 0.000 3.491 1573 K HA -0.222 4.098 4.320 0.000 0.000 0.271 1573 K C -0.493 176.047 176.600 -0.099 0.000 0.852 1573 K CA 0.896 57.142 56.287 -0.068 0.000 0.651 1573 K CB -2.787 29.689 32.500 -0.041 0.000 1.568 1573 K HN 0.253 nan 8.250 nan 0.000 0.452 1574 L N 0.449 121.543 121.223 -0.215 0.000 2.453 1574 L HA 0.175 4.515 4.340 0.000 0.000 0.272 1574 L C 0.766 177.629 176.870 -0.012 0.000 1.182 1574 L CA 0.410 55.086 54.840 -0.273 0.000 0.858 1574 L CB 0.455 42.060 42.059 -0.757 0.000 1.120 1574 L HN 0.437 nan 8.230 nan 0.000 0.474 1575 E N 1.935 122.212 120.200 0.129 0.000 2.248 1575 E HA 0.253 4.603 4.350 0.000 0.000 0.267 1575 E C -1.025 175.658 176.600 0.138 0.000 0.877 1575 E CA -0.755 55.718 56.400 0.121 0.000 0.759 1575 E CB 1.951 31.706 29.700 0.091 0.000 1.182 1575 E HN 0.502 nan 8.360 nan 0.000 0.418 1576 E N 2.255 122.511 120.200 0.093 0.000 2.413 1576 E HA -0.045 4.305 4.350 0.000 0.000 0.263 1576 E C -0.130 176.491 176.600 0.035 0.000 1.015 1576 E CA 0.629 57.070 56.400 0.067 0.000 0.916 1576 E CB 0.465 30.195 29.700 0.050 0.000 0.947 1576 E HN 0.477 nan 8.360 nan 0.000 0.440 1577 K N 0.285 120.682 120.400 -0.005 0.000 3.553 1577 K HA -0.200 4.120 4.320 0.000 0.000 0.303 1577 K C -0.361 176.169 176.600 -0.117 0.000 1.327 1577 K CA 1.019 57.272 56.287 -0.057 0.000 0.983 1577 K CB -0.877 31.614 32.500 -0.016 0.000 1.275 1577 K HN 0.411 nan 8.250 nan 0.000 0.453 1578 K N 0.891 121.237 120.400 -0.090 0.000 2.095 1578 K HA 0.325 4.645 4.320 0.000 0.000 0.252 1578 K C 0.008 176.342 176.600 -0.444 0.000 0.977 1578 K CA -0.644 55.542 56.287 -0.169 0.000 0.900 1578 K CB 0.849 33.312 32.500 -0.063 0.000 1.060 1578 K HN 0.089 nan 8.250 nan 0.000 0.449 1579 H N 0.919 119.729 119.070 -0.432 0.000 2.502 1579 H HA 0.306 4.862 4.556 0.000 0.000 0.338 1579 H C -0.915 173.987 175.328 -0.709 0.000 1.155 1579 H CA -0.231 55.572 56.048 -0.409 0.000 1.237 1579 H CB 1.051 30.606 29.762 -0.344 0.000 1.534 1579 H HN 0.441 nan 8.280 nan 0.000 0.523 1580 Y N 0.369 120.761 120.300 0.153 0.000 2.504 1580 Y HA 0.161 4.711 4.550 0.000 0.000 0.344 1580 Y C -0.556 175.544 175.900 0.332 0.000 1.023 1580 Y CA -0.927 57.263 58.100 0.150 0.000 1.020 1580 Y CB 1.712 40.147 38.460 -0.042 0.000 1.282 1580 Y HN 0.354 nan 8.280 nan 0.000 0.454 1581 L N 4.382 125.903 121.223 0.497 0.000 2.265 1581 L HA 0.647 4.987 4.340 0.000 0.000 0.288 1581 L C -1.089 175.967 176.870 0.311 0.000 1.058 1581 L CA -0.281 54.846 54.840 0.477 0.000 0.809 1581 L CB 0.220 42.445 42.059 0.277 0.000 1.179 1581 L HN 0.629 nan 8.230 nan 0.000 0.429 1582 M N 5.548 125.349 119.600 0.336 0.000 2.393 1582 M HA 0.499 4.979 4.480 0.000 0.000 0.299 1582 M C -1.529 174.981 176.300 0.351 0.000 1.103 1582 M CA -0.443 54.995 55.300 0.231 0.000 0.910 1582 M CB 2.001 34.703 32.600 0.169 0.000 1.659 1582 M HN 0.736 nan 8.290 nan 0.000 0.445 1583 W N 1.280 122.667 121.300 0.146 0.000 3.062 1583 W HA 0.965 5.625 4.660 0.000 0.000 0.336 1583 W C -1.026 175.279 176.519 -0.358 0.000 1.224 1583 W CA -0.957 56.243 57.345 -0.242 0.000 1.159 1583 W CB 0.712 30.064 29.460 -0.180 0.000 1.454 1583 W HN 0.864 nan 8.180 nan 0.000 0.569 1584 G N 0.172 108.666 108.800 -0.511 0.000 2.488 1584 G HA2 0.523 4.483 3.960 0.000 0.000 0.301 1584 G HA3 0.523 4.483 3.960 0.000 0.000 0.301 1584 G C -2.039 172.706 174.900 -0.259 0.000 1.339 1584 G CA -1.252 43.717 45.100 -0.218 0.000 0.803 1584 G HN 0.771 nan 8.290 nan 0.000 0.482 1585 L N 0.628 121.819 121.223 -0.053 0.000 2.399 1585 L HA 0.396 4.736 4.340 0.000 0.000 0.265 1585 L C 1.897 178.682 176.870 -0.142 0.000 1.089 1585 L CA -0.266 54.544 54.840 -0.050 0.000 0.802 1585 L CB 1.808 43.864 42.059 -0.006 0.000 1.180 1585 L HN 0.754 nan 8.230 nan 0.000 0.454 1586 S N -1.634 114.002 115.700 -0.106 0.000 2.527 1586 S HA -0.118 4.352 4.470 0.000 0.000 0.222 1586 S C 1.724 176.250 174.600 -0.123 0.000 0.985 1586 S CA 0.504 58.581 58.200 -0.205 0.000 0.921 1586 S CB -0.235 63.095 63.200 0.216 0.000 0.772 1586 S HN 0.785 nan 8.310 nan 0.000 0.529 1587 S N 1.266 116.936 115.700 -0.049 0.000 2.500 1587 S HA -0.067 4.403 4.470 0.000 0.000 0.239 1587 S C 0.576 175.169 174.600 -0.013 0.000 0.989 1587 S CA 0.935 59.138 58.200 0.005 0.000 0.951 1587 S CB -0.451 62.762 63.200 0.022 0.000 0.759 1587 S HN 0.443 nan 8.310 nan 0.000 0.523 1588 D N 0.185 120.507 120.400 -0.130 0.000 2.402 1588 D HA 0.349 4.989 4.640 0.000 0.000 0.216 1588 D C -0.553 175.674 176.300 -0.122 0.000 1.128 1588 D CA -0.306 53.646 54.000 -0.081 0.000 0.833 1588 D CB -0.118 40.669 40.800 -0.022 0.000 0.971 1588 D HN 0.311 nan 8.370 nan 0.000 0.503 1589 F N 0.551 120.499 119.950 -0.004 0.000 2.450 1589 F HA 0.283 4.810 4.527 0.000 0.000 0.339 1589 F C 0.587 176.453 175.800 0.111 0.000 1.146 1589 F CA -0.679 57.260 58.000 -0.102 0.000 1.267 1589 F CB 0.623 39.523 39.000 -0.167 0.000 1.178 1589 F HN -0.090 nan 8.300 nan 0.000 0.585 1590 W N 2.232 123.561 121.300 0.048 0.000 3.022 1590 W HA 0.468 5.128 4.660 0.000 0.000 0.335 1590 W C -0.076 176.424 176.519 -0.033 0.000 1.133 1590 W CA -0.244 57.095 57.345 -0.009 0.000 1.219 1590 W CB 2.041 31.479 29.460 -0.037 0.000 1.409 1590 W HN 0.871 nan 8.180 nan 0.000 0.507 1591 G N 3.388 111.791 108.800 -0.661 0.000 2.660 1591 G HA2 -0.167 3.793 3.960 0.000 0.000 0.215 1591 G HA3 -0.167 3.793 3.960 0.000 0.000 0.215 1591 G C -1.220 173.505 174.900 -0.293 0.000 1.345 1591 G CA -0.611 44.199 45.100 -0.483 0.000 0.877 1591 G HN 0.458 nan 8.290 nan 0.000 0.549 1592 E N 0.462 120.526 120.200 -0.227 0.000 2.238 1592 E HA 0.444 4.794 4.350 0.000 0.000 0.267 1592 E C 0.266 176.771 176.600 -0.158 0.000 0.887 1592 E CA -0.870 55.423 56.400 -0.178 0.000 0.769 1592 E CB 1.595 31.203 29.700 -0.153 0.000 1.187 1592 E HN 0.619 nan 8.360 nan 0.000 0.416 1593 K N 2.103 122.407 120.400 -0.161 0.000 2.494 1593 K HA 0.017 4.337 4.320 0.000 0.000 0.273 1593 K C -1.615 174.923 176.600 -0.104 0.000 0.970 1593 K CA -0.571 55.629 56.287 -0.145 0.000 0.963 1593 K CB 0.145 32.560 32.500 -0.142 0.000 0.913 1593 K HN 0.219 nan 8.250 nan 0.000 0.502 1594 P HA 0.120 nan 4.420 nan 0.000 0.236 1594 P C -1.077 176.175 177.300 -0.079 0.000 1.749 1594 P CA -0.003 63.044 63.100 -0.088 0.000 0.994 1594 P CB 0.209 31.872 31.700 -0.062 0.000 1.599 1595 N N 0.913 119.560 118.700 -0.089 0.000 2.660 1595 N HA 0.193 4.933 4.740 0.000 0.000 0.316 1595 N C -0.106 175.357 175.510 -0.078 0.000 1.774 1595 N CA -0.258 52.753 53.050 -0.065 0.000 0.946 1595 N CB 0.852 39.307 38.487 -0.054 0.000 1.322 1595 N HN 0.207 nan 8.380 nan 0.000 0.492 1596 L N 0.765 121.919 121.223 -0.114 0.000 2.416 1596 L HA 0.176 4.516 4.340 0.000 0.000 0.272 1596 L C 0.902 177.770 176.870 -0.003 0.000 1.161 1596 L CA 0.297 55.052 54.840 -0.141 0.000 0.845 1596 L CB 0.524 42.352 42.059 -0.386 0.000 1.119 1596 L HN 0.054 nan 8.230 nan 0.000 0.464 1597 S N 0.940 116.678 115.700 0.063 0.000 2.713 1597 S HA 0.600 5.070 4.470 0.000 0.000 0.283 1597 S C -1.032 173.642 174.600 0.124 0.000 1.161 1597 S CA -0.446 57.860 58.200 0.177 0.000 0.999 1597 S CB 1.062 64.408 63.200 0.245 0.000 1.039 1597 S HN 0.229 nan 8.310 nan 0.000 0.548 1598 Y N 0.722 120.933 120.300 -0.150 0.000 2.350 1598 Y HA 0.470 5.020 4.550 0.000 0.000 0.338 1598 Y C 0.057 175.920 175.900 -0.062 0.000 0.961 1598 Y CA -1.061 56.904 58.100 -0.224 0.000 1.100 1598 Y CB 0.709 38.628 38.460 -0.901 0.000 1.179 1598 Y HN 0.368 nan 8.280 nan 0.000 0.454 1599 I N 5.055 125.701 120.570 0.127 0.000 2.395 1599 I HA 0.225 4.395 4.170 0.000 0.000 0.289 1599 I C 0.094 176.341 176.117 0.218 0.000 1.023 1599 I CA -0.410 60.954 61.300 0.107 0.000 1.350 1599 I CB 0.864 38.859 38.000 -0.009 0.000 1.409 1599 I HN 0.543 nan 8.210 nan 0.000 0.507 1600 I N 5.752 126.480 120.570 0.264 0.000 2.337 1600 I HA 0.385 4.555 4.170 0.000 0.000 0.291 1600 I C 0.849 177.080 176.117 0.189 0.000 1.046 1600 I CA 0.215 61.674 61.300 0.265 0.000 1.324 1600 I CB 1.030 39.178 38.000 0.246 0.000 1.409 1600 I HN 0.735 nan 8.210 nan 0.000 0.494 1601 G N 4.561 113.461 108.800 0.166 0.000 3.166 1601 G HA2 0.342 4.302 3.960 0.000 0.000 0.267 1601 G HA3 0.342 4.302 3.960 0.000 0.000 0.267 1601 G C 0.208 175.174 174.900 0.109 0.000 1.256 1601 G CA -0.611 44.559 45.100 0.118 0.000 0.859 1601 G HN 0.606 nan 8.290 nan 0.000 0.590 1602 K N -0.548 119.892 120.400 0.066 0.000 2.432 1602 K HA 0.189 4.509 4.320 0.000 0.000 0.196 1602 K C 0.398 177.039 176.600 0.069 0.000 1.038 1602 K CA 1.250 57.559 56.287 0.038 0.000 0.986 1602 K CB 0.462 32.967 32.500 0.009 0.000 0.782 1602 K HN 0.178 nan 8.250 nan 0.000 0.485 1603 D N 0.811 121.269 120.400 0.098 0.000 2.440 1603 D HA 0.054 4.694 4.640 0.000 0.000 0.216 1603 D C -0.557 175.842 176.300 0.165 0.000 1.150 1603 D CA 0.163 54.241 54.000 0.131 0.000 0.832 1603 D CB 0.753 41.617 40.800 0.107 0.000 0.992 1603 D HN 0.094 nan 8.370 nan 0.000 0.502 1604 T N 0.819 115.462 114.554 0.149 0.000 2.744 1604 T HA 0.084 4.434 4.350 0.000 0.000 0.291 1604 T C -0.176 174.547 174.700 0.038 0.000 0.957 1604 T CA -0.594 61.583 62.100 0.129 0.000 1.002 1604 T CB 1.498 70.476 68.868 0.182 0.000 0.919 1604 T HN 0.083 nan 8.240 nan 0.000 0.468 1605 W N 4.750 125.769 121.300 -0.468 0.000 2.311 1605 W HA 0.467 5.127 4.660 0.000 0.000 0.310 1605 W C -1.425 174.780 176.519 -0.524 0.000 1.274 1605 W CA -0.518 56.377 57.345 -0.749 0.000 1.215 1605 W CB 0.603 28.861 29.460 -2.003 0.000 1.227 1605 W HN 0.284 nan 8.180 nan 0.000 0.523 1606 V N 6.109 125.671 119.914 -0.588 0.000 2.419 1606 V HA 0.173 4.293 4.120 0.000 0.000 0.287 1606 V C -0.384 175.373 176.094 -0.560 0.000 1.017 1606 V CA -0.724 61.275 62.300 -0.502 0.000 0.844 1606 V CB 1.434 32.880 31.823 -0.628 0.000 1.011 1606 V HN 0.527 nan 8.190 nan 0.000 0.429 1607 E N 2.498 122.536 120.200 -0.270 0.000 2.199 1607 E HA 0.433 4.783 4.350 0.000 0.000 0.269 1607 E C -0.840 175.846 176.600 0.144 0.000 0.899 1607 E CA -0.961 55.348 56.400 -0.151 0.000 0.772 1607 E CB 1.466 31.108 29.700 -0.097 0.000 1.155 1607 E HN 0.810 nan 8.360 nan 0.000 0.408 1608 H N 4.108 123.201 119.070 0.039 0.000 2.975 1608 H HA 0.015 4.571 4.556 0.000 0.000 0.303 1608 H C -1.251 174.067 175.328 -0.018 0.000 1.023 1608 H CA 0.088 56.110 56.048 -0.043 0.000 1.473 1608 H CB 0.381 30.109 29.762 -0.057 0.000 1.498 1608 H HN 0.332 nan 8.280 nan 0.000 0.549 1609 W N 9.325 130.189 121.300 -0.726 0.000 2.282 1609 W HA 0.291 4.952 4.660 0.000 0.000 0.322 1609 W C -2.722 173.383 176.519 -0.689 0.000 1.011 1609 W CA -3.153 53.894 57.345 -0.497 0.000 1.392 1609 W CB 0.586 29.899 29.460 -0.244 0.000 1.215 1609 W HN 0.637 nan 8.180 nan 0.000 0.394 1610 P HA -0.078 nan 4.420 nan 0.000 0.266 1610 P C -0.161 177.149 177.300 0.017 0.000 1.193 1610 P CA 0.546 63.603 63.100 -0.071 0.000 0.770 1610 P CB 0.838 32.578 31.700 0.068 0.000 0.836 1611 E N 0.943 121.150 120.200 0.012 0.000 2.392 1611 E HA -0.046 4.304 4.350 0.000 0.000 0.256 1611 E C 1.277 177.859 176.600 -0.030 0.000 1.145 1611 E CA -0.026 56.357 56.400 -0.028 0.000 0.929 1611 E CB 0.328 30.042 29.700 0.024 0.000 0.998 1611 E HN 0.344 nan 8.360 nan 0.000 0.442 1612 E N 1.449 121.600 120.200 -0.081 0.000 2.114 1612 E HA -0.264 4.086 4.350 0.000 0.000 0.199 1612 E C 0.839 177.432 176.600 -0.012 0.000 1.008 1612 E CA 2.324 58.691 56.400 -0.055 0.000 0.810 1612 E CB -0.057 29.596 29.700 -0.079 0.000 0.739 1612 E HN 0.617 nan 8.360 nan 0.000 0.456 1613 D N -1.072 119.325 120.400 -0.004 0.000 2.349 1613 D HA -0.030 4.610 4.640 0.000 0.000 0.214 1613 D C 0.917 177.228 176.300 0.019 0.000 1.063 1613 D CA 0.169 54.174 54.000 0.007 0.000 0.847 1613 D CB -0.207 40.596 40.800 0.005 0.000 0.933 1613 D HN 0.360 nan 8.370 nan 0.000 0.513 1614 E N -0.373 119.844 120.200 0.027 0.000 2.442 1614 E HA 0.061 4.411 4.350 0.000 0.000 0.195 1614 E C 1.179 177.804 176.600 0.042 0.000 1.030 1614 E CA -0.023 56.401 56.400 0.040 0.000 0.869 1614 E CB 0.146 29.883 29.700 0.062 0.000 0.857 1614 E HN 0.222 nan 8.360 nan 0.000 0.505 1615 c N 1.715 120.339 118.600 0.040 0.000 2.500 1615 c HA -0.020 4.550 4.570 0.000 0.000 0.273 1615 c C 2.293 176.403 174.090 0.034 0.000 1.428 1615 c CA 0.273 56.629 56.329 0.045 0.000 1.766 1615 c CB -0.449 42.094 42.510 0.056 0.000 1.817 1615 c HN 0.455 nan 8.230 nan 0.000 0.543 1616 Q N 0.586 120.402 119.800 0.027 0.000 2.137 1616 Q HA -0.015 4.325 4.340 0.000 0.000 0.198 1616 Q C 0.631 176.643 176.000 0.020 0.000 0.960 1616 Q CA 0.655 56.471 55.803 0.021 0.000 0.847 1616 Q CB -0.697 28.051 28.738 0.017 0.000 0.915 1616 Q HN 0.567 nan 8.270 nan 0.000 0.448 1617 D N 3.380 123.793 120.400 0.022 0.000 2.581 1617 D HA -0.110 4.530 4.640 0.000 0.000 0.238 1617 D C 0.097 176.408 176.300 0.018 0.000 1.145 1617 D CA 0.243 54.255 54.000 0.019 0.000 0.866 1617 D CB 0.476 41.290 40.800 0.022 0.000 1.151 1617 D HN 0.208 nan 8.370 nan 0.000 0.500 1618 E N 2.657 122.866 120.200 0.014 0.000 3.187 1618 E HA -0.031 4.319 4.350 0.000 0.000 0.297 1618 E C 0.025 176.632 176.600 0.011 0.000 1.515 1618 E CA 0.235 56.643 56.400 0.012 0.000 1.641 1618 E CB -0.128 29.578 29.700 0.010 0.000 1.314 1618 E HN 0.510 nan 8.360 nan 0.000 0.462 1619 E N -0.276 119.932 120.200 0.014 0.000 2.436 1619 E HA 0.081 4.431 4.350 0.000 0.000 0.167 1619 E C 0.284 176.894 176.600 0.017 0.000 0.898 1619 E CA 0.003 56.410 56.400 0.012 0.000 1.354 1619 E CB 0.239 29.945 29.700 0.010 0.000 1.442 1619 E HN 0.266 nan 8.360 nan 0.000 0.671 1620 N N -0.178 118.535 118.700 0.021 0.000 2.273 1620 N HA 0.051 4.791 4.740 0.000 0.000 0.192 1620 N C 1.345 176.867 175.510 0.019 0.000 1.132 1620 N CA 0.024 53.090 53.050 0.026 0.000 0.887 1620 N CB 0.462 38.973 38.487 0.040 0.000 1.048 1620 N HN -0.009 nan 8.380 nan 0.000 0.490 1621 Q N 1.166 120.977 119.800 0.019 0.000 2.045 1621 Q HA -0.234 4.106 4.340 0.000 0.000 0.206 1621 Q C 1.791 177.800 176.000 0.014 0.000 0.991 1621 Q CA 1.637 57.452 55.803 0.019 0.000 0.851 1621 Q CB -0.001 28.748 28.738 0.018 0.000 0.911 1621 Q HN 0.074 nan 8.270 nan 0.000 0.418 1622 K N 0.881 121.286 120.400 0.008 0.000 1.991 1622 K HA -0.207 4.113 4.320 0.000 0.000 0.212 1622 K C 1.996 178.591 176.600 -0.009 0.000 1.049 1622 K CA 1.698 57.987 56.287 0.004 0.000 0.932 1622 K CB -0.352 32.150 32.500 0.003 0.000 0.717 1622 K HN 0.133 nan 8.250 nan 0.000 0.441 1623 Q N -0.419 119.369 119.800 -0.020 0.000 2.135 1623 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 1623 Q C 2.141 178.085 176.000 -0.093 0.000 0.981 1623 Q CA 1.936 57.705 55.803 -0.056 0.000 0.856 1623 Q CB -0.237 28.470 28.738 -0.052 0.000 0.902 1623 Q HN 0.460 nan 8.270 nan 0.000 0.425 1624 c N 0.422 118.998 118.600 -0.041 0.000 2.457 1624 c HA -0.086 4.484 4.570 0.000 0.000 0.278 1624 c C 2.591 176.695 174.090 0.023 0.000 1.309 1624 c CA 0.575 56.901 56.329 -0.005 0.000 1.735 1624 c CB -0.660 41.884 42.510 0.056 0.000 1.992 1624 c HN 0.566 nan 8.230 nan 0.000 0.493 1625 Q N 0.435 120.247 119.800 0.021 0.000 2.119 1625 Q HA -0.160 4.180 4.340 0.000 0.000 0.201 1625 Q C 1.587 177.605 176.000 0.030 0.000 0.972 1625 Q CA 1.239 57.064 55.803 0.037 0.000 0.847 1625 Q CB -0.292 28.465 28.738 0.032 0.000 0.903 1625 Q HN 0.625 nan 8.270 nan 0.000 0.433 1626 D N 1.074 121.471 120.400 -0.004 0.000 2.144 1626 D HA -0.119 4.521 4.640 0.000 0.000 0.199 1626 D C 1.964 178.249 176.300 -0.026 0.000 0.984 1626 D CA 0.912 54.906 54.000 -0.009 0.000 0.834 1626 D CB -0.139 40.639 40.800 -0.036 0.000 0.955 1626 D HN 0.190 nan 8.370 nan 0.000 0.465 1627 L N 0.234 121.367 121.223 -0.150 0.000 2.083 1627 L HA -0.050 4.291 4.340 0.000 0.000 0.209 1627 L C 2.522 179.440 176.870 0.079 0.000 1.083 1627 L CA 1.335 56.004 54.840 -0.285 0.000 0.752 1627 L CB -0.592 40.902 42.059 -0.941 0.000 0.899 1627 L HN 0.085 nan 8.230 nan 0.000 0.433 1628 G N -0.576 108.310 108.800 0.142 0.000 2.394 1628 G HA2 -0.161 3.799 3.960 0.000 0.000 0.215 1628 G HA3 -0.161 3.799 3.960 0.000 0.000 0.215 1628 G C 1.784 176.785 174.900 0.168 0.000 1.165 1628 G CA 0.694 45.919 45.100 0.207 0.000 0.784 1628 G HN 0.432 nan 8.290 nan 0.000 0.535 1629 A N 0.535 123.434 122.820 0.133 0.000 1.902 1629 A HA 0.071 4.391 4.320 0.000 0.000 0.217 1629 A C 2.156 179.823 177.584 0.139 0.000 1.181 1629 A CA 1.550 53.658 52.037 0.117 0.000 0.623 1629 A CB -0.614 18.440 19.000 0.090 0.000 0.818 1629 A HN 0.412 nan 8.150 nan 0.000 0.443 1630 F N 1.521 121.482 119.950 0.018 0.000 2.065 1630 F HA -0.225 4.302 4.527 0.000 0.000 0.298 1630 F C 2.465 178.299 175.800 0.057 0.000 1.112 1630 F CA 2.536 60.541 58.000 0.009 0.000 1.212 1630 F CB -0.748 38.231 39.000 -0.034 0.000 0.975 1630 F HN 0.220 nan 8.300 nan 0.000 0.476 1631 T N 0.056 114.736 114.554 0.210 0.000 2.652 1631 T HA -0.247 4.103 4.350 0.000 0.000 0.267 1631 T C 1.762 176.472 174.700 0.017 0.000 1.039 1631 T CA 1.905 64.090 62.100 0.141 0.000 1.153 1631 T CB -0.453 68.623 68.868 0.345 0.000 0.863 1631 T HN 0.395 nan 8.240 nan 0.000 0.428 1632 E N 0.496 120.731 120.200 0.057 0.000 2.085 1632 E HA -0.135 4.215 4.350 0.000 0.000 0.194 1632 E C 2.497 179.107 176.600 0.016 0.000 0.994 1632 E CA 1.222 57.643 56.400 0.035 0.000 0.801 1632 E CB -0.176 29.559 29.700 0.058 0.000 0.743 1632 E HN 0.335 nan 8.360 nan 0.000 0.453 1633 S N -0.210 115.506 115.700 0.027 0.000 2.368 1633 S HA -0.144 4.326 4.470 0.000 0.000 0.225 1633 S C 1.922 176.536 174.600 0.024 0.000 1.030 1633 S CA 1.019 59.291 58.200 0.120 0.000 0.999 1633 S CB 0.013 63.226 63.200 0.021 0.000 0.844 1633 S HN 0.152 nan 8.310 nan 0.000 0.459 1634 M N 0.688 120.169 119.600 -0.199 0.000 2.200 1634 M HA 0.031 4.511 4.480 0.000 0.000 0.265 1634 M C 2.232 178.472 176.300 -0.100 0.000 1.066 1634 M CA 0.909 56.073 55.300 -0.227 0.000 1.127 1634 M CB -1.291 31.035 32.600 -0.457 0.000 1.379 1634 M HN 0.218 nan 8.290 nan 0.000 0.420 1635 V N -0.085 119.785 119.914 -0.073 0.000 2.490 1635 V HA -0.184 3.936 4.120 0.000 0.000 0.250 1635 V C 2.369 178.418 176.094 -0.074 0.000 1.061 1635 V CA 1.247 63.523 62.300 -0.039 0.000 1.064 1635 V CB -0.374 31.442 31.823 -0.011 0.000 0.670 1635 V HN 0.205 nan 8.190 nan 0.000 0.461 1636 V N -1.759 118.077 119.914 -0.129 0.000 2.490 1636 V HA 0.027 4.147 4.120 0.000 0.000 0.238 1636 V C 1.924 177.839 176.094 -0.299 0.000 1.056 1636 V CA 1.349 63.485 62.300 -0.273 0.000 1.075 1636 V CB -0.527 31.014 31.823 -0.471 0.000 0.746 1636 V HN 0.415 nan 8.190 nan 0.000 0.479 1637 F N 0.934 120.846 119.950 -0.064 0.000 2.367 1637 F HA 0.351 4.878 4.527 0.000 0.000 0.298 1637 F C 1.843 177.600 175.800 -0.071 0.000 1.094 1637 F CA 0.998 58.959 58.000 -0.065 0.000 1.409 1637 F CB -0.690 38.265 39.000 -0.074 0.000 1.064 1637 F HN 0.350 nan 8.300 nan 0.000 0.528 1638 G N -0.167 108.674 108.800 0.068 0.000 2.575 1638 G HA2 -0.325 3.635 3.960 0.000 0.000 0.267 1638 G HA3 -0.325 3.635 3.960 0.000 0.000 0.267 1638 G C -0.563 174.330 174.900 -0.011 0.000 1.264 1638 G CA -0.467 44.636 45.100 0.004 0.000 0.935 1638 G HN 0.342 nan 8.290 nan 0.000 0.568 1639 c N 1.633 120.209 118.600 -0.040 0.000 2.365 1639 c HA 0.605 5.175 4.570 0.000 0.000 0.351 1639 c C -0.271 173.790 174.090 -0.048 0.000 1.240 1639 c CA 0.035 56.322 56.329 -0.071 0.000 2.062 1639 c CB 1.275 43.727 42.510 -0.098 0.000 2.387 1639 c HN 0.677 nan 8.230 nan 0.000 0.537 1640 P HA 0.048 nan 4.420 nan 0.000 0.245 1640 P C -0.050 177.223 177.300 -0.045 0.000 1.212 1640 P CA 0.845 63.910 63.100 -0.059 0.000 0.774 1640 P CB 0.104 31.751 31.700 -0.088 0.000 0.999 1641 N N 0.000 118.673 118.700 -0.044 0.000 1.763 1641 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1641 N CA 0.000 53.030 53.050 -0.033 0.000 0.885 1641 N CB 0.000 38.465 38.487 -0.036 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667