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 3l95_1_X DATA FIRST_RESID 1447 DATA SEQUENCE GSAcELPEcQ EDAGNKVcSL QcNNHAcGWD GGDcSLNFND PWKNcTQSLQ DATA SEQUENCE cWKYFSDGHc DSQcNSAGcL FDGFDcQRAE GQcNPLYDQY cKDHFSDGHc DATA SEQUENCE DQGcNSAEcE WDGLDcAEHV PERLAAGTLV VVVLMPPEQL RNSSFHFLRE DATA SEQUENCE LSRVLHTNVV FKRDAHGQQM IFPYYGXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXDVRGSI VYLEIDNRQc VXXXSQcFQS DATA SEQUENCE ATDVAAFLGA LASLGSLNIP YKIEAVQSET V 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 1447 G HA2 0.000 nan 3.960 nan 0.000 0.244 1447 G HA3 0.000 3.971 3.960 0.019 0.000 0.244 1447 G C 0.000 174.860 174.900 -0.067 0.000 0.946 1447 G CA 0.000 45.063 45.100 -0.062 0.000 0.502 1448 S N -0.191 115.484 115.700 -0.043 0.000 2.595 1448 S HA 0.161 4.642 4.470 0.019 0.000 0.235 1448 S C 2.323 176.897 174.600 -0.044 0.000 0.974 1448 S CA 1.137 59.312 58.200 -0.041 0.000 0.942 1448 S CB 0.460 63.644 63.200 -0.027 0.000 0.766 1448 S HN 1.208 nan 8.310 nan 0.000 0.536 1449 A N 0.981 123.773 122.820 -0.047 0.000 1.969 1449 A HA -0.028 4.303 4.320 0.019 0.000 0.218 1449 A C 2.265 179.814 177.584 -0.058 0.000 1.169 1449 A CA 1.221 53.231 52.037 -0.044 0.000 0.635 1449 A CB -1.409 17.569 19.000 -0.037 0.000 0.810 1449 A HN 0.733 nan 8.150 nan 0.000 0.445 1450 c N -0.013 118.537 118.600 -0.083 0.000 2.419 1450 c HA -0.077 4.504 4.570 0.019 0.000 0.283 1450 c C 2.289 176.333 174.090 -0.077 0.000 1.373 1450 c CA 0.912 57.183 56.329 -0.097 0.000 1.781 1450 c CB -1.508 40.917 42.510 -0.143 0.000 1.886 1450 c HN 0.662 nan 8.230 nan 0.000 0.520 1451 E N 0.648 120.810 120.200 -0.063 0.000 2.274 1451 E HA -0.000 4.361 4.350 0.019 0.000 0.194 1451 E C 0.313 176.888 176.600 -0.041 0.000 0.996 1451 E CA 0.273 56.643 56.400 -0.050 0.000 0.840 1451 E CB -0.046 29.629 29.700 -0.042 0.000 0.772 1451 E HN 0.653 nan 8.360 nan 0.000 0.491 1452 L N 1.665 122.865 121.223 -0.039 0.000 2.416 1452 L HA 0.054 4.405 4.340 0.019 0.000 0.272 1452 L C -1.530 175.322 176.870 -0.031 0.000 1.161 1452 L CA -1.503 53.319 54.840 -0.031 0.000 0.845 1452 L CB 0.295 42.338 42.059 -0.027 0.000 1.119 1452 L HN -0.165 nan 8.230 nan 0.000 0.464 1453 P HA -0.209 nan 4.420 nan 0.000 0.216 1453 P C 1.269 178.555 177.300 -0.023 0.000 1.150 1453 P CA 0.875 63.961 63.100 -0.024 0.000 0.843 1453 P CB 0.314 32.003 31.700 -0.019 0.000 0.787 1454 E N -0.697 119.490 120.200 -0.020 0.000 2.097 1454 E HA -0.205 4.156 4.350 0.019 0.000 0.196 1454 E C 1.768 178.356 176.600 -0.021 0.000 1.000 1454 E CA 1.621 58.010 56.400 -0.017 0.000 0.804 1454 E CB -1.158 28.534 29.700 -0.014 0.000 0.740 1454 E HN 0.162 nan 8.360 nan 0.000 0.454 1455 c N 0.356 118.940 118.600 -0.028 0.000 2.476 1455 c HA -0.003 4.579 4.570 0.019 0.000 0.278 1455 c C 2.515 176.581 174.090 -0.040 0.000 1.274 1455 c CA 0.496 56.804 56.329 -0.035 0.000 1.713 1455 c CB -0.729 41.753 42.510 -0.046 0.000 2.039 1455 c HN 0.475 nan 8.230 nan 0.000 0.484 1456 Q N 0.993 120.767 119.800 -0.043 0.000 2.096 1456 Q HA -0.181 4.170 4.340 0.019 0.000 0.204 1456 Q C 2.176 178.155 176.000 -0.034 0.000 0.982 1456 Q CA 1.356 57.133 55.803 -0.045 0.000 0.850 1456 Q CB -0.726 27.986 28.738 -0.043 0.000 0.901 1456 Q HN 0.716 nan 8.270 nan 0.000 0.422 1457 E N 1.634 121.818 120.200 -0.027 0.000 2.033 1457 E HA -0.218 4.143 4.350 0.019 0.000 0.199 1457 E C 0.988 177.578 176.600 -0.018 0.000 1.011 1457 E CA 1.891 58.279 56.400 -0.020 0.000 0.815 1457 E CB -0.049 29.642 29.700 -0.016 0.000 0.755 1457 E HN 0.462 nan 8.360 nan 0.000 0.451 1458 D N -0.076 120.314 120.400 -0.017 0.000 2.340 1458 D HA 0.122 4.773 4.640 0.019 0.000 0.220 1458 D C -0.009 176.283 176.300 -0.012 0.000 1.039 1458 D CA 0.306 54.300 54.000 -0.011 0.000 0.866 1458 D CB -0.133 40.663 40.800 -0.007 0.000 0.913 1458 D HN 0.245 nan 8.370 nan 0.000 0.523 1459 A N 0.173 122.980 122.820 -0.023 0.000 2.488 1459 A HA 0.512 4.843 4.320 0.019 0.000 0.249 1459 A C 1.578 179.151 177.584 -0.019 0.000 1.083 1459 A CA 0.148 52.168 52.037 -0.027 0.000 0.768 1459 A CB -0.471 18.500 19.000 -0.049 0.000 1.017 1459 A HN 0.822 nan 8.150 nan 0.000 0.496 1460 G N 2.290 111.085 108.800 -0.008 0.000 2.176 1460 G HA2 -0.271 3.700 3.960 0.019 0.000 0.252 1460 G HA3 -0.271 3.700 3.960 0.019 0.000 0.252 1460 G C 0.248 175.152 174.900 0.006 0.000 1.024 1460 G CA 0.554 45.653 45.100 -0.001 0.000 0.755 1460 G HN 1.517 nan 8.290 nan 0.000 0.507 1461 N N 0.084 118.790 118.700 0.009 0.000 2.295 1461 N HA 0.163 4.914 4.740 0.019 0.000 0.221 1461 N C 0.980 176.503 175.510 0.022 0.000 1.129 1461 N CA 0.238 53.296 53.050 0.013 0.000 0.836 1461 N CB 0.011 38.504 38.487 0.009 0.000 1.040 1461 N HN 0.586 nan 8.380 nan 0.000 0.494 1462 K N -1.393 119.023 120.400 0.026 0.000 3.472 1462 K HA -0.124 4.208 4.320 0.019 0.000 0.315 1462 K C -1.015 175.604 176.600 0.030 0.000 1.320 1462 K CA 0.882 57.188 56.287 0.033 0.000 0.962 1462 K CB -1.649 30.875 32.500 0.040 0.000 1.251 1462 K HN 0.152 nan 8.250 nan 0.000 0.443 1463 V N 1.431 121.361 119.914 0.026 0.000 2.350 1463 V HA 0.137 4.268 4.120 0.019 0.000 0.285 1463 V C 0.245 176.354 176.094 0.026 0.000 1.014 1463 V CA -0.993 61.321 62.300 0.024 0.000 0.831 1463 V CB 1.424 33.259 31.823 0.020 0.000 1.000 1463 V HN 0.380 nan 8.190 nan 0.000 0.433 1464 c N 5.418 124.036 118.600 0.031 0.000 2.555 1464 c HA 0.495 5.077 4.570 0.019 0.000 0.385 1464 c C 0.900 175.010 174.090 0.033 0.000 1.296 1464 c CA 0.045 56.397 56.329 0.038 0.000 1.757 1464 c CB -0.611 41.925 42.510 0.044 0.000 2.445 1464 c HN 0.853 nan 8.230 nan 0.000 0.571 1465 S N 4.763 120.482 115.700 0.032 0.000 2.438 1465 S HA 0.311 4.792 4.470 0.019 0.000 0.293 1465 S C 0.732 175.353 174.600 0.034 0.000 1.141 1465 S CA -0.605 57.611 58.200 0.026 0.000 1.080 1465 S CB 1.288 64.496 63.200 0.014 0.000 0.978 1465 S HN 0.835 nan 8.310 nan 0.000 0.479 1466 L N 5.443 126.686 121.223 0.033 0.000 2.093 1466 L HA -0.107 4.244 4.340 0.019 0.000 0.208 1466 L C 2.522 179.414 176.870 0.036 0.000 1.085 1466 L CA 1.831 56.696 54.840 0.042 0.000 0.755 1466 L CB -0.649 41.431 42.059 0.035 0.000 0.904 1466 L HN 0.863 nan 8.230 nan 0.000 0.435 1467 Q N -2.112 117.701 119.800 0.021 0.000 2.226 1467 Q HA -0.165 4.186 4.340 0.019 0.000 0.204 1467 Q C 1.739 177.740 176.000 0.001 0.000 0.975 1467 Q CA 1.926 57.735 55.803 0.011 0.000 0.866 1467 Q CB -0.803 27.937 28.738 0.004 0.000 0.915 1467 Q HN 0.509 nan 8.270 nan 0.000 0.440 1468 c N 0.990 119.591 118.600 0.001 0.000 2.754 1468 c HA 0.232 4.814 4.570 0.019 0.000 0.276 1468 c C 0.831 174.913 174.090 -0.013 0.000 1.264 1468 c CA -0.828 55.488 56.329 -0.021 0.000 1.700 1468 c CB -1.546 40.949 42.510 -0.026 0.000 1.885 1468 c HN 0.446 nan 8.230 nan 0.000 0.607 1469 N N 3.693 122.420 118.700 0.046 0.000 3.050 1469 N HA 0.081 4.832 4.740 0.019 0.000 0.289 1469 N C -0.605 175.011 175.510 0.177 0.000 1.209 1469 N CA 0.251 53.391 53.050 0.149 0.000 1.154 1469 N CB -0.837 37.750 38.487 0.167 0.000 1.444 1469 N HN 0.729 nan 8.380 nan 0.000 0.529 1470 N N -1.478 117.168 118.700 -0.091 0.000 2.647 1470 N HA 0.164 4.915 4.740 0.019 0.000 0.266 1470 N C 0.325 175.114 175.510 -1.202 0.000 1.373 1470 N CA -0.819 51.978 53.050 -0.422 0.000 0.807 1470 N CB 0.616 38.958 38.487 -0.243 0.000 1.513 1470 N HN 0.052 nan 8.380 nan 0.000 0.505 1471 H N 0.026 118.128 119.070 -1.613 0.000 2.423 1471 H HA 0.173 4.740 4.556 0.019 0.000 0.297 1471 H C 1.710 176.430 175.328 -1.013 0.000 1.075 1471 H CA 2.013 56.952 56.048 -1.848 0.000 1.342 1471 H CB -0.190 28.456 29.762 -1.861 0.000 1.395 1471 H HN 0.717 nan 8.280 nan 0.000 0.530 1472 A N -0.102 122.306 122.820 -0.686 0.000 2.019 1472 A HA -0.139 4.192 4.320 0.019 0.000 0.219 1472 A C 1.949 179.264 177.584 -0.448 0.000 1.164 1472 A CA 1.325 53.082 52.037 -0.467 0.000 0.644 1472 A CB -0.815 18.025 19.000 -0.266 0.000 0.805 1472 A HN 0.715 nan 8.150 nan 0.000 0.449 1473 c N -2.844 115.467 118.600 -0.481 0.000 2.742 1473 c HA 0.620 5.202 4.570 0.019 0.000 0.283 1473 c C 1.394 175.247 174.090 -0.396 0.000 1.451 1473 c CA -0.678 55.438 56.329 -0.354 0.000 1.785 1473 c CB -1.035 41.335 42.510 -0.234 0.000 2.664 1473 c HN 1.445 nan 8.230 nan 0.000 0.544 1474 G N 0.779 109.199 108.800 -0.634 0.000 2.323 1474 G HA2 -0.270 3.701 3.960 0.019 0.000 0.292 1474 G HA3 -0.270 3.701 3.960 0.019 0.000 0.292 1474 G C -0.014 174.677 174.900 -0.349 0.000 1.040 1474 G CA 0.199 44.954 45.100 -0.576 0.000 0.942 1474 G HN 1.209 nan 8.290 nan 0.000 0.506 1475 W N -2.202 119.017 121.300 -0.135 0.000 5.324 1475 W HA -0.094 4.578 4.660 0.020 0.000 0.404 1475 W C 0.717 177.202 176.519 -0.057 0.000 1.566 1475 W CA 0.792 58.094 57.345 -0.072 0.000 0.927 1475 W CB -2.128 27.321 29.460 -0.017 0.000 2.757 1475 W HN 1.138 nan 8.180 nan 0.000 1.382 1476 D N -0.174 120.228 120.400 0.002 0.000 2.699 1476 D HA -0.124 4.527 4.640 0.019 0.000 0.239 1476 D C 1.321 177.618 176.300 -0.006 0.000 1.136 1476 D CA 2.925 56.921 54.000 -0.006 0.000 0.668 1476 D CB -1.037 39.784 40.800 0.035 0.000 1.060 1476 D HN 1.477 nan 8.370 nan 0.000 0.429 1477 G N -0.895 107.877 108.800 -0.046 0.000 2.155 1477 G HA2 0.014 3.985 3.960 0.019 0.000 0.257 1477 G HA3 0.014 3.985 3.960 0.019 0.000 0.257 1477 G C 1.544 176.444 174.900 0.001 0.000 0.983 1477 G CA 0.851 45.927 45.100 -0.039 0.000 0.676 1477 G HN 1.809 nan 8.290 nan 0.000 0.528 1478 G N -1.070 107.765 108.800 0.059 0.000 2.194 1478 G HA2 -0.253 3.718 3.960 0.019 0.000 0.236 1478 G HA3 -0.253 3.718 3.960 0.019 0.000 0.236 1478 G C 0.807 175.764 174.900 0.094 0.000 0.987 1478 G CA 0.860 46.019 45.100 0.098 0.000 0.635 1478 G HN 0.605 nan 8.290 nan 0.000 0.520 1479 D N 0.007 120.451 120.400 0.075 0.000 2.182 1479 D HA -0.033 4.618 4.640 0.019 0.000 0.201 1479 D C 2.202 178.545 176.300 0.072 0.000 0.986 1479 D CA 1.575 55.612 54.000 0.062 0.000 0.847 1479 D CB -0.337 40.491 40.800 0.047 0.000 0.942 1479 D HN 0.531 nan 8.370 nan 0.000 0.467 1480 c N 0.291 118.956 118.600 0.108 0.000 2.696 1480 c HA 0.141 4.722 4.570 0.019 0.000 0.264 1480 c C 1.471 175.594 174.090 0.055 0.000 1.288 1480 c CA -0.055 56.330 56.329 0.095 0.000 1.717 1480 c CB -0.777 41.818 42.510 0.141 0.000 1.893 1480 c HN 0.233 nan 8.230 nan 0.000 0.577 1481 S N 0.301 116.046 115.700 0.076 0.000 2.438 1481 S HA 0.464 4.945 4.470 0.019 0.000 0.227 1481 S C 0.334 174.955 174.600 0.035 0.000 1.265 1481 S CA -0.254 57.945 58.200 -0.002 0.000 1.265 1481 S CB -0.800 62.393 63.200 -0.011 0.000 0.987 1481 S HN 0.492 nan 8.310 nan 0.000 0.502 1482 L N 0.767 122.002 121.223 0.020 0.000 3.737 1482 L HA -0.323 4.029 4.340 0.019 0.000 0.418 1482 L C 0.205 177.119 176.870 0.073 0.000 1.216 1482 L CA 0.410 55.264 54.840 0.023 0.000 0.915 1482 L CB -2.547 39.498 42.059 -0.023 0.000 1.834 1482 L HN 0.747 nan 8.230 nan 0.000 0.943 1483 N N -2.159 116.591 118.700 0.082 0.000 2.708 1483 N HA -0.241 4.510 4.740 0.019 0.000 0.249 1483 N C -0.230 175.361 175.510 0.135 0.000 1.097 1483 N CA 1.155 54.257 53.050 0.086 0.000 0.710 1483 N CB -0.574 37.948 38.487 0.059 0.000 1.032 1483 N HN 0.513 nan 8.380 nan 0.000 0.551 1484 F N 0.920 120.860 119.950 -0.016 0.000 2.507 1484 F HA 0.495 5.034 4.527 0.020 0.000 0.327 1484 F C 0.556 176.357 175.800 0.003 0.000 1.068 1484 F CA -1.207 56.779 58.000 -0.025 0.000 0.965 1484 F CB 0.922 39.886 39.000 -0.061 0.000 1.192 1484 F HN -0.085 nan 8.300 nan 0.000 0.476 1485 N N 1.904 120.113 118.700 -0.819 0.000 2.344 1485 N HA -0.005 4.747 4.740 0.019 0.000 0.236 1485 N C -1.160 174.265 175.510 -0.142 0.000 1.279 1485 N CA 0.080 52.848 53.050 -0.470 0.000 0.882 1485 N CB 0.055 38.187 38.487 -0.592 0.000 1.110 1485 N HN 0.524 nan 8.380 nan 0.000 0.436 1486 D N 0.842 121.267 120.400 0.042 0.000 3.167 1486 D HA -0.078 4.573 4.640 0.019 0.000 0.232 1486 D C -1.597 174.819 176.300 0.193 0.000 1.231 1486 D CA -0.906 53.261 54.000 0.277 0.000 0.845 1486 D CB 0.351 41.303 40.800 0.254 0.000 1.157 1486 D HN 0.327 nan 8.370 nan 0.000 0.576 1487 P HA -0.154 nan 4.420 nan 0.000 0.218 1487 P C 0.564 177.651 177.300 -0.355 0.000 1.150 1487 P CA 1.156 64.046 63.100 -0.350 0.000 0.841 1487 P CB 0.040 31.047 31.700 -1.155 0.000 0.784 1488 W N -0.577 120.849 121.300 0.209 0.000 3.269 1488 W HA 0.240 4.911 4.660 0.018 0.000 0.413 1488 W C 1.525 178.181 176.519 0.229 0.000 1.057 1488 W CA -0.255 57.237 57.345 0.245 0.000 1.953 1488 W CB -0.554 29.149 29.460 0.405 0.000 1.053 1488 W HN 0.122 nan 8.180 nan 0.000 0.753 1489 K N 1.276 121.838 120.400 0.270 0.000 2.089 1489 K HA -0.219 4.112 4.320 0.019 0.000 0.210 1489 K C 0.859 177.558 176.600 0.164 0.000 1.048 1489 K CA 1.416 57.812 56.287 0.183 0.000 0.926 1489 K CB 0.111 32.667 32.500 0.094 0.000 0.714 1489 K HN 0.010 nan 8.250 nan 0.000 0.448 1490 N N -0.456 118.331 118.700 0.146 0.000 2.295 1490 N HA 0.046 4.798 4.740 0.019 0.000 0.221 1490 N C -1.101 174.493 175.510 0.140 0.000 1.129 1490 N CA 0.049 53.169 53.050 0.117 0.000 0.836 1490 N CB 0.201 38.734 38.487 0.077 0.000 1.040 1490 N HN 0.089 nan 8.380 nan 0.000 0.494 1491 c N 0.412 119.139 118.600 0.211 0.000 2.431 1491 c HA 0.402 4.983 4.570 0.019 0.000 0.321 1491 c C 0.386 174.612 174.090 0.226 0.000 1.202 1491 c CA -0.473 55.992 56.329 0.227 0.000 1.398 1491 c CB -0.003 42.712 42.510 0.342 0.000 2.047 1491 c HN 0.273 nan 8.230 nan 0.000 0.465 1492 T N 4.894 119.539 114.554 0.153 0.000 2.933 1492 T HA -0.018 4.344 4.350 0.019 0.000 0.306 1492 T C 1.130 175.916 174.700 0.143 0.000 1.045 1492 T CA 0.605 62.783 62.100 0.130 0.000 1.143 1492 T CB 0.811 69.727 68.868 0.080 0.000 1.003 1492 T HN 0.836 nan 8.240 nan 0.000 0.540 1493 Q N 1.749 121.655 119.800 0.178 0.000 2.170 1493 Q HA -0.088 4.263 4.340 0.019 0.000 0.203 1493 Q C 2.498 178.548 176.000 0.082 0.000 0.976 1493 Q CA 1.666 57.616 55.803 0.245 0.000 0.858 1493 Q CB -0.129 28.772 28.738 0.272 0.000 0.907 1493 Q HN 0.823 nan 8.270 nan 0.000 0.433 1494 S N -0.613 115.108 115.700 0.034 0.000 2.522 1494 S HA 0.030 4.511 4.470 0.019 0.000 0.227 1494 S C 1.661 176.218 174.600 -0.071 0.000 0.986 1494 S CA 0.273 58.464 58.200 -0.015 0.000 0.929 1494 S CB -0.171 63.037 63.200 0.012 0.000 0.769 1494 S HN 0.285 nan 8.310 nan 0.000 0.529 1495 L N 0.481 121.652 121.223 -0.086 0.000 2.291 1495 L HA 0.061 4.412 4.340 0.019 0.000 0.214 1495 L C 0.931 177.657 176.870 -0.239 0.000 1.120 1495 L CA 0.515 55.297 54.840 -0.097 0.000 0.799 1495 L CB -0.878 41.158 42.059 -0.038 0.000 0.925 1495 L HN 0.345 nan 8.230 nan 0.000 0.446 1496 Q N -1.327 118.097 119.800 -0.628 0.000 2.435 1496 Q HA -0.286 4.065 4.340 0.019 0.000 0.312 1496 Q C 1.241 176.294 176.000 -1.578 0.000 1.333 1496 Q CA 0.349 55.246 55.803 -1.510 0.000 0.883 1496 Q CB -2.046 26.131 28.738 -0.934 0.000 1.170 1496 Q HN 0.547 nan 8.270 nan 0.000 0.443 1497 c N -1.136 116.803 118.600 -1.101 0.000 2.437 1497 c HA -0.123 4.459 4.570 0.019 0.000 0.283 1497 c C 2.119 175.841 174.090 -0.614 0.000 1.424 1497 c CA 0.711 56.765 56.329 -0.459 0.000 1.782 1497 c CB -1.242 41.268 42.510 0.000 0.000 1.833 1497 c HN 0.908 nan 8.230 nan 0.000 0.532 1498 W N 1.668 122.333 121.300 -1.059 0.000 2.402 1498 W HA -0.031 4.640 4.660 0.019 0.000 0.286 1498 W C 1.878 178.060 176.519 -0.561 0.000 1.221 1498 W CA 0.733 57.349 57.345 -1.216 0.000 1.257 1498 W CB -0.950 27.697 29.460 -1.355 0.000 1.120 1498 W HN 0.097 nan 8.180 nan 0.000 0.551 1499 K N -0.466 119.387 120.400 -0.911 0.000 2.362 1499 K HA -0.116 4.216 4.320 0.019 0.000 0.200 1499 K C 0.895 177.108 176.600 -0.646 0.000 1.046 1499 K CA 1.223 57.027 56.287 -0.805 0.000 0.952 1499 K CB -0.308 31.438 32.500 -1.256 0.000 0.753 1499 K HN 0.287 nan 8.250 nan 0.000 0.466 1500 Y N -1.582 118.653 120.300 -0.109 0.000 2.426 1500 Y HA 0.179 4.740 4.550 0.019 0.000 0.249 1500 Y C 0.316 176.274 175.900 0.098 0.000 1.103 1500 Y CA -1.645 56.448 58.100 -0.011 0.000 1.256 1500 Y CB -0.114 38.317 38.460 -0.048 0.000 1.208 1500 Y HN -0.108 nan 8.280 nan 0.000 0.519 1501 F N 1.954 121.973 119.950 0.115 0.000 2.590 1501 F HA 0.214 4.753 4.527 0.021 0.000 0.389 1501 F C 1.328 177.182 175.800 0.091 0.000 1.049 1501 F CA 0.408 58.493 58.000 0.141 0.000 1.199 1501 F CB 0.523 39.683 39.000 0.266 0.000 1.058 1501 F HN 0.021 nan 8.300 nan 0.000 0.556 1502 S N 3.751 119.239 115.700 -0.354 0.000 3.631 1502 S HA -0.233 4.248 4.470 0.019 0.000 0.366 1502 S C 0.264 174.864 174.600 0.001 0.000 0.993 1502 S CA 0.958 58.993 58.200 -0.275 0.000 1.167 1502 S CB -1.443 61.484 63.200 -0.455 0.000 0.909 1502 S HN 0.938 nan 8.310 nan 0.000 0.478 1503 D N -0.173 120.262 120.400 0.058 0.000 2.440 1503 D HA 0.383 5.034 4.640 0.019 0.000 0.216 1503 D C 1.275 177.637 176.300 0.103 0.000 1.150 1503 D CA 0.643 54.700 54.000 0.096 0.000 0.832 1503 D CB -0.313 40.560 40.800 0.123 0.000 0.992 1503 D HN 1.053 nan 8.370 nan 0.000 0.502 1504 G N 0.512 109.365 108.800 0.089 0.000 2.143 1504 G HA2 -0.272 3.700 3.960 0.019 0.000 0.248 1504 G HA3 -0.272 3.700 3.960 0.019 0.000 0.248 1504 G C -0.178 174.799 174.900 0.128 0.000 0.991 1504 G CA 0.362 45.517 45.100 0.091 0.000 0.689 1504 G HN 0.722 nan 8.290 nan 0.000 0.522 1505 H N -0.797 118.288 119.070 0.025 0.000 2.782 1505 H HA 0.430 4.998 4.556 0.020 0.000 0.347 1505 H C -0.032 175.297 175.328 0.003 0.000 1.038 1505 H CA -0.035 56.021 56.048 0.012 0.000 1.255 1505 H CB 1.415 31.183 29.762 0.010 0.000 1.623 1505 H HN 0.346 nan 8.280 nan 0.000 0.525 1506 c N 6.316 124.698 118.600 -0.364 0.000 2.619 1506 c HA 0.184 4.765 4.570 0.019 0.000 0.389 1506 c C -0.256 173.725 174.090 -0.182 0.000 1.314 1506 c CA -0.274 55.931 56.329 -0.207 0.000 1.678 1506 c CB -1.448 40.948 42.510 -0.190 0.000 2.398 1506 c HN 0.637 nan 8.230 nan 0.000 0.582 1507 D N 4.810 125.196 120.400 -0.023 0.000 2.460 1507 D HA 0.085 4.736 4.640 0.019 0.000 0.232 1507 D C 0.685 176.965 176.300 -0.034 0.000 1.079 1507 D CA 0.091 54.067 54.000 -0.040 0.000 0.864 1507 D CB 1.798 42.526 40.800 -0.119 0.000 1.048 1507 D HN 0.670 nan 8.370 nan 0.000 0.523 1508 S N 2.714 118.391 115.700 -0.038 0.000 2.428 1508 S HA -0.173 4.308 4.470 0.019 0.000 0.230 1508 S C 1.829 176.430 174.600 0.002 0.000 1.014 1508 S CA 1.116 59.310 58.200 -0.009 0.000 0.957 1508 S CB 0.068 63.259 63.200 -0.016 0.000 0.784 1508 S HN 0.531 nan 8.310 nan 0.000 0.499 1509 Q N -0.590 119.196 119.800 -0.024 0.000 2.297 1509 Q HA -0.074 4.277 4.340 0.019 0.000 0.208 1509 Q C 1.598 177.610 176.000 0.020 0.000 0.981 1509 Q CA 1.744 57.540 55.803 -0.013 0.000 0.876 1509 Q CB -0.590 28.121 28.738 -0.045 0.000 0.921 1509 Q HN 0.575 nan 8.270 nan 0.000 0.446 1510 c N 0.864 119.485 118.600 0.036 0.000 2.855 1510 c HA 0.273 4.855 4.570 0.019 0.000 0.279 1510 c C 0.555 174.712 174.090 0.112 0.000 1.270 1510 c CA -0.777 55.609 56.329 0.094 0.000 1.702 1510 c CB -1.280 41.314 42.510 0.141 0.000 1.949 1510 c HN 0.438 nan 8.230 nan 0.000 0.618 1511 N N 2.414 121.173 118.700 0.098 0.000 3.034 1511 N HA 0.210 4.961 4.740 0.019 0.000 0.265 1511 N C -0.184 175.422 175.510 0.159 0.000 1.166 1511 N CA 0.335 53.473 53.050 0.147 0.000 1.081 1511 N CB 0.135 38.694 38.487 0.120 0.000 1.378 1511 N HN 0.612 nan 8.380 nan 0.000 0.520 1512 S N -0.008 115.763 115.700 0.119 0.000 2.638 1512 S HA 0.687 5.169 4.470 0.019 0.000 0.274 1512 S C 0.867 175.349 174.600 -0.198 0.000 1.157 1512 S CA -0.353 57.892 58.200 0.075 0.000 0.826 1512 S CB 0.924 64.155 63.200 0.052 0.000 1.139 1512 S HN 0.172 nan 8.310 nan 0.000 0.474 1513 A N 1.120 123.809 122.820 -0.218 0.000 1.902 1513 A HA 0.215 4.546 4.320 0.019 0.000 0.217 1513 A C 2.046 179.410 177.584 -0.367 0.000 1.181 1513 A CA 1.907 53.605 52.037 -0.564 0.000 0.623 1513 A CB -1.673 17.256 19.000 -0.118 0.000 0.818 1513 A HN 1.426 nan 8.150 nan 0.000 0.443 1514 G N -1.577 107.144 108.800 -0.132 0.000 2.448 1514 G HA2 -0.108 3.863 3.960 0.019 0.000 0.218 1514 G HA3 -0.108 3.863 3.960 0.019 0.000 0.218 1514 G C 1.069 175.975 174.900 0.009 0.000 1.135 1514 G CA 1.243 46.322 45.100 -0.035 0.000 0.784 1514 G HN 0.521 nan 8.290 nan 0.000 0.543 1515 c N 0.899 119.504 118.600 0.009 0.000 2.525 1515 c HA 0.459 5.041 4.570 0.019 0.000 0.313 1515 c C 1.074 175.214 174.090 0.083 0.000 1.311 1515 c CA -0.786 55.629 56.329 0.143 0.000 1.725 1515 c CB -1.757 40.851 42.510 0.163 0.000 1.926 1515 c HN 0.518 nan 8.230 nan 0.000 0.595 1516 L N -0.865 120.263 121.223 -0.159 0.000 3.843 1516 L HA -0.257 4.095 4.340 0.019 0.000 0.411 1516 L C 0.300 177.079 176.870 -0.151 0.000 1.205 1516 L CA -0.075 54.653 54.840 -0.187 0.000 0.945 1516 L CB -2.534 39.550 42.059 0.042 0.000 1.929 1516 L HN 0.398 nan 8.230 nan 0.000 0.934 1517 F N -1.306 118.650 119.950 0.010 0.000 3.100 1517 F HA -0.259 4.282 4.527 0.023 0.000 0.283 1517 F C 1.239 176.993 175.800 -0.076 0.000 0.900 1517 F CA 1.489 59.450 58.000 -0.066 0.000 1.010 1517 F CB -2.285 36.593 39.000 -0.203 0.000 1.029 1517 F HN 0.585 nan 8.300 nan 0.000 0.637 1518 D N -0.150 120.327 120.400 0.128 0.000 2.751 1518 D HA -0.119 4.533 4.640 0.019 0.000 0.233 1518 D C 1.254 177.424 176.300 -0.217 0.000 1.149 1518 D CA 2.099 56.144 54.000 0.075 0.000 0.682 1518 D CB -1.133 39.716 40.800 0.082 0.000 1.068 1518 D HN 1.552 nan 8.370 nan 0.000 0.429 1519 G N -0.305 108.153 108.800 -0.570 0.000 2.258 1519 G HA2 -0.302 3.669 3.960 0.019 0.000 0.274 1519 G HA3 -0.302 3.669 3.960 0.019 0.000 0.274 1519 G C 0.826 175.500 174.900 -0.377 0.000 1.021 1519 G CA 0.281 44.629 45.100 -1.253 0.000 0.798 1519 G HN 0.910 nan 8.290 nan 0.000 0.507 1520 F N -1.955 117.975 119.950 -0.033 0.000 2.953 1520 F HA -0.188 4.354 4.527 0.025 0.000 0.292 1520 F C 1.324 177.080 175.800 -0.072 0.000 0.747 1520 F CA 0.643 58.585 58.000 -0.097 0.000 1.222 1520 F CB -1.956 36.835 39.000 -0.350 0.000 1.457 1520 F HN 0.337 nan 8.300 nan 0.000 0.383 1521 D N -0.848 119.593 120.400 0.068 0.000 2.310 1521 D HA -0.038 4.614 4.640 0.019 0.000 0.212 1521 D C 1.591 177.911 176.300 0.034 0.000 0.965 1521 D CA 1.352 55.379 54.000 0.045 0.000 0.879 1521 D CB -0.161 40.650 40.800 0.017 0.000 0.921 1521 D HN 0.479 nan 8.370 nan 0.000 0.510 1522 c N 1.623 120.254 118.600 0.053 0.000 2.435 1522 c HA 0.240 4.822 4.570 0.019 0.000 0.326 1522 c C 0.629 174.738 174.090 0.032 0.000 1.328 1522 c CA -0.599 55.745 56.329 0.025 0.000 1.741 1522 c CB -1.126 41.403 42.510 0.031 0.000 1.998 1522 c HN 0.142 nan 8.230 nan 0.000 0.585 1523 Q N 0.258 120.088 119.800 0.050 0.000 2.351 1523 Q HA 0.409 4.761 4.340 0.019 0.000 0.273 1523 Q C -0.423 175.598 176.000 0.034 0.000 1.077 1523 Q CA -0.685 55.138 55.803 0.032 0.000 0.843 1523 Q CB 1.751 30.512 28.738 0.038 0.000 1.367 1523 Q HN 0.485 nan 8.270 nan 0.000 0.449 1524 R N 0.392 120.905 120.500 0.022 0.000 2.583 1524 R HA 0.093 4.444 4.340 0.019 0.000 0.274 1524 R C -0.031 176.291 176.300 0.036 0.000 0.998 1524 R CA 0.123 56.237 56.100 0.022 0.000 1.081 1524 R CB 0.127 30.438 30.300 0.019 0.000 0.940 1524 R HN 0.552 nan 8.270 nan 0.000 0.413 1525 A N 3.580 126.418 122.820 0.030 0.000 2.544 1525 A HA 0.048 4.380 4.320 0.019 0.000 0.301 1525 A C 0.810 178.400 177.584 0.010 0.000 1.368 1525 A CA -0.292 51.766 52.037 0.035 0.000 1.045 1525 A CB -0.113 18.904 19.000 0.029 0.000 1.129 1525 A HN 0.914 nan 8.150 nan 0.000 0.540 1526 E N 2.490 122.686 120.200 -0.007 0.000 2.118 1526 E HA 0.111 4.473 4.350 0.019 0.000 0.195 1526 E C 1.351 177.913 176.600 -0.063 0.000 0.992 1526 E CA 0.830 57.189 56.400 -0.067 0.000 0.804 1526 E CB -0.138 29.462 29.700 -0.165 0.000 0.741 1526 E HN 1.182 nan 8.360 nan 0.000 0.458 1527 G N 0.539 109.316 108.800 -0.039 0.000 2.750 1527 G HA2 -0.261 3.710 3.960 0.019 0.000 0.228 1527 G HA3 -0.261 3.710 3.960 0.019 0.000 0.228 1527 G C -0.572 174.294 174.900 -0.057 0.000 1.367 1527 G CA -0.492 44.589 45.100 -0.033 0.000 0.871 1527 G HN 0.060 nan 8.290 nan 0.000 0.560 1528 Q N -1.181 118.592 119.800 -0.044 0.000 2.205 1528 Q HA 0.455 4.806 4.340 0.019 0.000 0.249 1528 Q C 0.701 176.668 176.000 -0.054 0.000 0.948 1528 Q CA -0.410 55.363 55.803 -0.050 0.000 0.895 1528 Q CB 1.714 30.434 28.738 -0.030 0.000 1.249 1528 Q HN 0.940 nan 8.270 nan 0.000 0.458 1529 c N 2.808 121.377 118.600 -0.052 0.000 2.657 1529 c HA 0.031 4.613 4.570 0.019 0.000 0.420 1529 c C 0.846 174.926 174.090 -0.017 0.000 1.323 1529 c CA -0.423 55.890 56.329 -0.026 0.000 1.894 1529 c CB -0.515 41.988 42.510 -0.012 0.000 2.681 1529 c HN 0.685 nan 8.230 nan 0.000 0.613 1530 N N 6.255 124.949 118.700 -0.010 0.000 2.365 1530 N HA 0.006 4.758 4.740 0.019 0.000 0.265 1530 N C -1.042 174.398 175.510 -0.116 0.000 1.288 1530 N CA -0.830 52.147 53.050 -0.121 0.000 0.869 1530 N CB 1.060 39.359 38.487 -0.314 0.000 1.071 1530 N HN 0.523 nan 8.380 nan 0.000 0.480 1531 P HA -0.198 nan 4.420 nan 0.000 0.216 1531 P C 1.434 178.689 177.300 -0.075 0.000 1.157 1531 P CA 1.382 64.436 63.100 -0.076 0.000 0.880 1531 P CB -0.013 31.642 31.700 -0.074 0.000 0.791 1532 L N -4.861 116.260 121.223 -0.169 0.000 2.478 1532 L HA 0.037 4.389 4.340 0.019 0.000 0.223 1532 L C 1.452 178.346 176.870 0.040 0.000 1.140 1532 L CA 1.630 56.404 54.840 -0.110 0.000 0.842 1532 L CB -1.972 39.997 42.059 -0.149 0.000 0.953 1532 L HN -0.075 nan 8.230 nan 0.000 0.452 1533 Y N 0.509 120.820 120.300 0.019 0.000 2.468 1533 Y HA 0.157 4.716 4.550 0.015 0.000 0.268 1533 Y C 1.988 177.945 175.900 0.095 0.000 1.177 1533 Y CA -0.692 57.434 58.100 0.042 0.000 1.265 1533 Y CB -0.418 38.047 38.460 0.009 0.000 1.103 1533 Y HN 0.246 nan 8.280 nan 0.000 0.522 1534 D N -0.515 119.995 120.400 0.184 0.000 2.137 1534 D HA -0.117 4.534 4.640 0.019 0.000 0.202 1534 D C 1.960 178.335 176.300 0.125 0.000 0.970 1534 D CA 1.065 55.142 54.000 0.128 0.000 0.837 1534 D CB 0.414 41.249 40.800 0.058 0.000 0.981 1534 D HN -0.003 nan 8.370 nan 0.000 0.475 1535 Q N -0.579 119.294 119.800 0.122 0.000 2.084 1535 Q HA -0.190 4.161 4.340 0.019 0.000 0.202 1535 Q C 1.979 178.071 176.000 0.154 0.000 0.978 1535 Q CA 1.015 56.877 55.803 0.098 0.000 0.844 1535 Q CB -0.693 28.096 28.738 0.084 0.000 0.898 1535 Q HN 0.527 nan 8.270 nan 0.000 0.426 1536 Y N 0.408 120.790 120.300 0.136 0.000 2.097 1536 Y HA -0.295 4.266 4.550 0.019 0.000 0.282 1536 Y C 2.503 178.566 175.900 0.272 0.000 1.152 1536 Y CA 1.790 60.008 58.100 0.197 0.000 1.136 1536 Y CB -0.373 38.130 38.460 0.072 0.000 0.975 1536 Y HN 0.117 nan 8.280 nan 0.000 0.498 1537 c N 0.720 119.527 118.600 0.344 0.000 2.453 1537 c HA -0.122 4.460 4.570 0.019 0.000 0.277 1537 c C 2.674 176.872 174.090 0.178 0.000 1.262 1537 c CA 1.314 57.806 56.329 0.271 0.000 1.718 1537 c CB -1.086 41.573 42.510 0.249 0.000 2.031 1537 c HN 0.603 nan 8.230 nan 0.000 0.480 1538 K N 0.940 121.403 120.400 0.105 0.000 2.034 1538 K HA -0.243 4.088 4.320 0.019 0.000 0.214 1538 K C 1.234 177.850 176.600 0.025 0.000 1.051 1538 K CA 2.323 58.628 56.287 0.029 0.000 0.931 1538 K CB -0.273 32.203 32.500 -0.039 0.000 0.715 1538 K HN 0.389 nan 8.250 nan 0.000 0.446 1539 D N -0.812 119.565 120.400 -0.038 0.000 2.347 1539 D HA -0.042 4.609 4.640 0.019 0.000 0.215 1539 D C 0.483 176.537 176.300 -0.410 0.000 0.976 1539 D CA 0.932 54.813 54.000 -0.199 0.000 0.884 1539 D CB 0.125 40.758 40.800 -0.279 0.000 0.915 1539 D HN 0.428 nan 8.370 nan 0.000 0.526 1540 H N -1.495 117.475 119.070 -0.167 0.000 2.581 1540 H HA 0.208 4.777 4.556 0.020 0.000 0.275 1540 H C -0.554 174.748 175.328 -0.043 0.000 1.126 1540 H CA -0.569 55.367 56.048 -0.187 0.000 1.097 1540 H CB -0.107 29.398 29.762 -0.428 0.000 1.626 1540 H HN -0.031 nan 8.280 nan 0.000 0.565 1541 F N 1.357 121.276 119.950 -0.051 0.000 2.438 1541 F HA 0.269 4.805 4.527 0.016 0.000 0.356 1541 F C 0.944 176.649 175.800 -0.159 0.000 1.099 1541 F CA -0.065 57.917 58.000 -0.030 0.000 1.185 1541 F CB 0.636 39.658 39.000 0.037 0.000 1.115 1541 F HN 0.069 nan 8.300 nan 0.000 0.526 1542 S N 3.886 119.177 115.700 -0.682 0.000 3.706 1542 S HA -0.223 4.258 4.470 0.019 0.000 0.363 1542 S C 0.486 174.694 174.600 -0.652 0.000 0.999 1542 S CA 0.987 58.795 58.200 -0.653 0.000 1.143 1542 S CB -1.389 61.433 63.200 -0.630 0.000 0.902 1542 S HN 0.928 nan 8.310 nan 0.000 0.476 1543 D N -0.325 119.835 120.400 -0.401 0.000 2.369 1543 D HA 0.360 5.011 4.640 0.019 0.000 0.211 1543 D C 1.468 177.660 176.300 -0.180 0.000 1.077 1543 D CA 0.882 54.698 54.000 -0.305 0.000 0.842 1543 D CB -0.360 40.359 40.800 -0.136 0.000 0.947 1543 D HN 1.013 nan 8.370 nan 0.000 0.509 1544 G N -0.023 108.640 108.800 -0.228 0.000 2.176 1544 G HA2 -0.207 3.764 3.960 0.019 0.000 0.232 1544 G HA3 -0.207 3.764 3.960 0.019 0.000 0.232 1544 G C -0.134 174.510 174.900 -0.427 0.000 0.986 1544 G CA -0.153 44.760 45.100 -0.313 0.000 0.643 1544 G HN 0.528 nan 8.290 nan 0.000 0.522 1545 H N -0.390 118.647 119.070 -0.055 0.000 2.547 1545 H HA 0.470 5.036 4.556 0.017 0.000 0.342 1545 H C 0.124 175.445 175.328 -0.012 0.000 1.048 1545 H CA -0.225 55.812 56.048 -0.019 0.000 1.204 1545 H CB 1.467 31.233 29.762 0.006 0.000 1.493 1545 H HN 0.294 nan 8.280 nan 0.000 0.511 1546 c N 4.976 123.634 118.600 0.098 0.000 2.624 1546 c HA 0.100 4.681 4.570 0.019 0.000 0.397 1546 c C 0.026 174.164 174.090 0.080 0.000 1.331 1546 c CA -0.274 56.093 56.329 0.064 0.000 1.716 1546 c CB -1.274 41.261 42.510 0.041 0.000 2.452 1546 c HN 0.624 nan 8.230 nan 0.000 0.586 1547 D N 5.310 125.762 120.400 0.087 0.000 2.472 1547 D HA 0.085 4.736 4.640 0.019 0.000 0.234 1547 D C 0.527 176.860 176.300 0.055 0.000 1.088 1547 D CA -0.075 53.977 54.000 0.087 0.000 0.882 1547 D CB 1.541 42.458 40.800 0.194 0.000 1.037 1547 D HN 0.670 nan 8.370 nan 0.000 0.520 1548 Q N 2.124 121.933 119.800 0.016 0.000 2.170 1548 Q HA -0.090 4.262 4.340 0.019 0.000 0.203 1548 Q C 2.022 178.020 176.000 -0.004 0.000 0.976 1548 Q CA 1.667 57.479 55.803 0.015 0.000 0.858 1548 Q CB -0.318 28.418 28.738 -0.004 0.000 0.907 1548 Q HN 0.665 nan 8.270 nan 0.000 0.433 1549 G N -1.157 107.600 108.800 -0.072 0.000 2.448 1549 G HA2 -0.229 3.743 3.960 0.019 0.000 0.219 1549 G HA3 -0.229 3.743 3.960 0.019 0.000 0.219 1549 G C 1.192 176.064 174.900 -0.048 0.000 1.127 1549 G CA 1.077 46.097 45.100 -0.133 0.000 0.766 1549 G HN 0.493 nan 8.290 nan 0.000 0.552 1550 c N 0.191 118.807 118.600 0.028 0.000 2.791 1550 c HA 0.237 4.818 4.570 0.019 0.000 0.270 1550 c C 1.236 175.378 174.090 0.087 0.000 1.257 1550 c CA -1.091 55.290 56.329 0.087 0.000 1.699 1550 c CB -1.203 41.408 42.510 0.169 0.000 1.904 1550 c HN 0.392 nan 8.230 nan 0.000 0.603 1551 N N 2.591 121.357 118.700 0.110 0.000 3.050 1551 N HA 0.137 4.888 4.740 0.019 0.000 0.289 1551 N C -0.194 175.487 175.510 0.286 0.000 1.209 1551 N CA 0.322 53.506 53.050 0.223 0.000 1.154 1551 N CB -0.092 38.511 38.487 0.193 0.000 1.444 1551 N HN 0.642 nan 8.380 nan 0.000 0.529 1552 S N -0.366 115.328 115.700 -0.010 0.000 2.596 1552 S HA 0.675 5.157 4.470 0.019 0.000 0.270 1552 S C 0.825 174.519 174.600 -1.509 0.000 1.155 1552 S CA -0.407 57.510 58.200 -0.471 0.000 0.827 1552 S CB 0.963 64.043 63.200 -0.199 0.000 1.130 1552 S HN 0.179 nan 8.310 nan 0.000 0.467 1553 A N 1.485 123.205 122.820 -1.832 0.000 1.902 1553 A HA -0.085 4.247 4.320 0.019 0.000 0.217 1553 A C 2.090 179.202 177.584 -0.787 0.000 1.181 1553 A CA 1.672 52.819 52.037 -1.484 0.000 0.623 1553 A CB -1.041 17.627 19.000 -0.553 0.000 0.818 1553 A HN 0.967 nan 8.150 nan 0.000 0.443 1554 E N -0.342 119.560 120.200 -0.497 0.000 2.204 1554 E HA -0.157 4.204 4.350 0.019 0.000 0.194 1554 E C 1.122 177.568 176.600 -0.257 0.000 0.989 1554 E CA 1.436 57.653 56.400 -0.304 0.000 0.824 1554 E CB -0.710 28.882 29.700 -0.180 0.000 0.756 1554 E HN 0.549 nan 8.360 nan 0.000 0.477 1555 c N 1.537 119.968 118.600 -0.281 0.000 2.563 1555 c HA 0.322 4.903 4.570 0.019 0.000 0.307 1555 c C -0.074 173.939 174.090 -0.128 0.000 1.371 1555 c CA -0.522 55.723 56.329 -0.140 0.000 1.772 1555 c CB -1.365 41.131 42.510 -0.024 0.000 2.283 1555 c HN 0.294 nan 8.230 nan 0.000 0.570 1556 E N -1.338 118.662 120.200 -0.333 0.000 2.586 1556 E HA -0.263 4.098 4.350 0.019 0.000 0.259 1556 E C -0.007 176.600 176.600 0.011 0.000 1.107 1556 E CA 0.798 57.090 56.400 -0.182 0.000 0.754 1556 E CB -2.414 27.368 29.700 0.136 0.000 1.335 1556 E HN 0.825 nan 8.360 nan 0.000 0.411 1557 W N -1.506 119.846 121.300 0.087 0.000 5.538 1557 W HA -0.298 4.354 4.660 -0.014 0.000 0.377 1557 W C 0.810 177.339 176.519 0.017 0.000 1.406 1557 W CA 0.648 58.016 57.345 0.038 0.000 0.940 1557 W CB -1.903 27.560 29.460 0.005 0.000 2.536 1557 W HN 0.418 nan 8.180 nan 0.000 1.504 1558 D N -0.560 119.954 120.400 0.190 0.000 2.955 1558 D HA -0.214 4.437 4.640 0.019 0.000 0.226 1558 D C 1.452 177.569 176.300 -0.304 0.000 1.178 1558 D CA 3.081 57.122 54.000 0.070 0.000 0.808 1558 D CB -1.162 39.683 40.800 0.074 0.000 1.099 1558 D HN 1.271 nan 8.370 nan 0.000 0.421 1559 G N -0.776 107.757 108.800 -0.445 0.000 2.160 1559 G HA2 -0.291 3.681 3.960 0.019 0.000 0.251 1559 G HA3 -0.291 3.681 3.960 0.019 0.000 0.251 1559 G C 0.896 175.594 174.900 -0.337 0.000 1.008 1559 G CA 0.226 44.786 45.100 -0.901 0.000 0.724 1559 G HN 1.329 nan 8.290 nan 0.000 0.514 1560 L N -2.164 118.996 121.223 -0.106 0.000 4.140 1560 L HA -0.204 4.148 4.340 0.019 0.000 0.406 1560 L C 1.286 178.107 176.870 -0.081 0.000 1.175 1560 L CA 0.828 55.638 54.840 -0.049 0.000 0.939 1560 L CB -1.445 40.591 42.059 -0.038 0.000 2.105 1560 L HN 0.300 nan 8.230 nan 0.000 0.803 1561 D N -0.263 120.075 120.400 -0.104 0.000 2.269 1561 D HA 0.010 4.661 4.640 0.019 0.000 0.208 1561 D C 1.435 177.712 176.300 -0.038 0.000 0.963 1561 D CA 1.260 55.206 54.000 -0.091 0.000 0.864 1561 D CB 0.037 40.782 40.800 -0.092 0.000 0.936 1561 D HN 0.582 nan 8.370 nan 0.000 0.505 1562 c N 0.414 119.008 118.600 -0.009 0.000 2.404 1562 c HA 0.736 5.318 4.570 0.019 0.000 0.325 1562 c C 1.060 175.144 174.090 -0.011 0.000 1.363 1562 c CA -0.507 55.825 56.329 0.004 0.000 1.775 1562 c CB -1.101 41.427 42.510 0.030 0.000 2.254 1562 c HN 0.244 nan 8.230 nan 0.000 0.568 1563 A N -0.060 122.749 122.820 -0.019 0.000 3.124 1563 A HA 0.221 4.552 4.320 0.019 0.000 0.204 1563 A C 0.885 178.461 177.584 -0.014 0.000 1.231 1563 A CA -0.087 51.938 52.037 -0.020 0.000 1.295 1563 A CB -0.160 18.812 19.000 -0.047 0.000 1.221 1563 A HN 0.260 nan 8.150 nan 0.000 0.744 1564 E N -0.440 119.753 120.200 -0.013 0.000 2.230 1564 E HA -0.079 4.282 4.350 0.019 0.000 0.192 1564 E C 1.201 177.783 176.600 -0.031 0.000 0.987 1564 E CA 0.628 57.006 56.400 -0.038 0.000 0.841 1564 E CB 0.004 29.661 29.700 -0.072 0.000 0.783 1564 E HN 0.766 nan 8.360 nan 0.000 0.481 1565 H N 0.644 119.693 119.070 -0.035 0.000 2.436 1565 H HA 0.055 4.621 4.556 0.018 0.000 0.294 1565 H C 0.382 175.694 175.328 -0.026 0.000 1.048 1565 H CA 0.205 56.236 56.048 -0.028 0.000 1.353 1565 H CB 0.319 30.064 29.762 -0.027 0.000 1.414 1565 H HN -0.137 nan 8.280 nan 0.000 0.536 1566 V N 4.959 124.935 119.914 0.103 0.000 2.752 1566 V HA -0.080 4.052 4.120 0.019 0.000 0.306 1566 V C -1.780 174.336 176.094 0.036 0.000 1.099 1566 V CA -0.511 61.816 62.300 0.045 0.000 1.240 1566 V CB 0.532 32.355 31.823 -0.001 0.000 0.887 1566 V HN 0.307 nan 8.190 nan 0.000 0.499 1567 P HA 0.120 nan 4.420 nan 0.000 0.267 1567 P C -0.206 177.102 177.300 0.012 0.000 1.209 1567 P CA -0.293 62.822 63.100 0.025 0.000 0.763 1567 P CB 0.312 32.024 31.700 0.021 0.000 0.816 1568 E N 3.535 123.742 120.200 0.012 0.000 2.413 1568 E HA 0.074 4.435 4.350 0.019 0.000 0.263 1568 E C -0.087 176.522 176.600 0.015 0.000 1.015 1568 E CA -0.492 55.915 56.400 0.012 0.000 0.916 1568 E CB 0.783 30.492 29.700 0.016 0.000 0.947 1568 E HN 0.372 nan 8.360 nan 0.000 0.440 1569 R N 4.053 124.562 120.500 0.016 0.000 2.625 1569 R HA 0.266 4.617 4.340 0.019 0.000 0.286 1569 R C -1.387 174.931 176.300 0.029 0.000 1.406 1569 R CA -0.473 55.638 56.100 0.020 0.000 1.052 1569 R CB 0.442 30.748 30.300 0.011 0.000 1.203 1569 R HN 0.659 nan 8.270 nan 0.000 0.502 1570 L N 2.903 124.147 121.223 0.036 0.000 2.343 1570 L HA 0.625 4.977 4.340 0.019 0.000 0.275 1570 L C 0.753 177.656 176.870 0.055 0.000 1.056 1570 L CA -0.985 53.881 54.840 0.044 0.000 0.804 1570 L CB 1.659 43.743 42.059 0.042 0.000 1.203 1570 L HN 0.599 nan 8.230 nan 0.000 0.440 1571 A N 1.753 124.613 122.820 0.066 0.000 2.507 1571 A HA 0.474 4.806 4.320 0.019 0.000 0.235 1571 A C 0.450 178.074 177.584 0.066 0.000 1.070 1571 A CA -0.006 52.080 52.037 0.082 0.000 0.768 1571 A CB 0.140 19.198 19.000 0.098 0.000 1.011 1571 A HN 0.825 nan 8.150 nan 0.000 0.502 1572 A N 1.247 124.110 122.820 0.072 0.000 2.492 1572 A HA 0.562 4.894 4.320 0.019 0.000 0.254 1572 A C 1.268 178.887 177.584 0.059 0.000 1.091 1572 A CA 0.887 52.962 52.037 0.063 0.000 0.768 1572 A CB -1.069 17.970 19.000 0.066 0.000 1.028 1572 A HN 2.893 nan 8.150 nan 0.000 0.498 1573 G N 1.568 110.402 108.800 0.058 0.000 2.660 1573 G HA2 0.157 4.128 3.960 0.019 0.000 0.215 1573 G HA3 0.157 4.128 3.960 0.019 0.000 0.215 1573 G C -0.273 174.663 174.900 0.060 0.000 1.345 1573 G CA -0.246 44.891 45.100 0.061 0.000 0.877 1573 G HN 1.503 nan 8.290 nan 0.000 0.549 1574 T N 0.108 114.704 114.554 0.071 0.000 2.893 1574 T HA 0.576 4.937 4.350 0.019 0.000 0.293 1574 T C -0.549 174.169 174.700 0.029 0.000 1.027 1574 T CA -0.351 61.796 62.100 0.078 0.000 0.988 1574 T CB 1.915 70.884 68.868 0.170 0.000 1.043 1574 T HN 1.119 nan 8.240 nan 0.000 0.461 1575 L N 3.803 125.012 121.223 -0.024 0.000 2.292 1575 L HA 0.709 5.060 4.340 0.019 0.000 0.284 1575 L C -1.043 175.743 176.870 -0.140 0.000 1.065 1575 L CA -0.243 54.536 54.840 -0.102 0.000 0.806 1575 L CB 0.869 42.837 42.059 -0.153 0.000 1.175 1575 L HN 0.458 nan 8.230 nan 0.000 0.431 1576 V N 5.838 125.632 119.914 -0.200 0.000 2.444 1576 V HA 0.581 4.712 4.120 0.019 0.000 0.294 1576 V C -0.622 175.320 176.094 -0.253 0.000 1.022 1576 V CA -0.665 61.430 62.300 -0.343 0.000 0.850 1576 V CB 1.752 33.349 31.823 -0.376 0.000 0.992 1576 V HN 0.524 nan 8.190 nan 0.000 0.426 1577 V N 5.117 124.885 119.914 -0.244 0.000 2.531 1577 V HA 0.460 4.592 4.120 0.019 0.000 0.301 1577 V C -0.251 175.721 176.094 -0.203 0.000 1.034 1577 V CA -0.745 61.456 62.300 -0.165 0.000 0.865 1577 V CB 2.114 33.904 31.823 -0.054 0.000 0.995 1577 V HN 0.578 nan 8.190 nan 0.000 0.424 1578 V N 5.637 125.412 119.914 -0.232 0.000 2.364 1578 V HA 0.408 4.539 4.120 0.019 0.000 0.272 1578 V C -0.030 175.938 176.094 -0.210 0.000 1.036 1578 V CA -0.316 61.784 62.300 -0.333 0.000 0.880 1578 V CB 1.498 32.993 31.823 -0.547 0.000 0.991 1578 V HN 0.636 nan 8.190 nan 0.000 0.460 1579 V N 6.265 126.067 119.914 -0.186 0.000 2.459 1579 V HA 0.345 4.476 4.120 0.019 0.000 0.295 1579 V C 0.096 176.145 176.094 -0.075 0.000 1.029 1579 V CA -0.688 61.547 62.300 -0.109 0.000 0.874 1579 V CB 1.977 33.692 31.823 -0.180 0.000 0.985 1579 V HN 0.539 nan 8.190 nan 0.000 0.438 1580 L N 5.568 126.780 121.223 -0.019 0.000 2.672 1580 L HA 0.442 4.794 4.340 0.019 0.000 0.238 1580 L C -0.142 176.737 176.870 0.015 0.000 1.392 1580 L CA 0.939 55.781 54.840 0.003 0.000 1.238 1580 L CB -0.986 41.083 42.059 0.017 0.000 1.548 1580 L HN 0.651 nan 8.230 nan 0.000 0.423 1581 M N 1.464 121.063 119.600 -0.002 0.000 2.322 1581 M HA 0.424 4.915 4.480 0.019 0.000 0.286 1581 M C -2.620 173.666 176.300 -0.024 0.000 1.111 1581 M CA -1.448 53.854 55.300 0.004 0.000 0.941 1581 M CB 3.039 35.662 32.600 0.038 0.000 1.671 1581 M HN -0.096 nan 8.290 nan 0.000 0.470 1582 P HA 0.126 nan 4.420 nan 0.000 0.266 1582 P C -2.356 174.911 177.300 -0.056 0.000 1.195 1582 P CA -0.671 62.412 63.100 -0.029 0.000 0.768 1582 P CB -0.045 31.644 31.700 -0.018 0.000 0.838 1583 P HA -0.250 nan 4.420 nan 0.000 0.218 1583 P C 1.360 178.599 177.300 -0.102 0.000 1.152 1583 P CA 1.729 64.770 63.100 -0.098 0.000 0.857 1583 P CB 0.016 31.669 31.700 -0.078 0.000 0.787 1584 E N -0.921 119.238 120.200 -0.069 0.000 2.076 1584 E HA -0.153 4.208 4.350 0.019 0.000 0.190 1584 E C 2.101 178.670 176.600 -0.051 0.000 0.979 1584 E CA 0.790 57.153 56.400 -0.061 0.000 0.807 1584 E CB -0.574 29.103 29.700 -0.038 0.000 0.761 1584 E HN 0.370 nan 8.360 nan 0.000 0.454 1585 Q N 0.352 120.133 119.800 -0.032 0.000 2.096 1585 Q HA -0.185 4.167 4.340 0.019 0.000 0.204 1585 Q C 2.216 178.215 176.000 -0.001 0.000 0.982 1585 Q CA 1.160 56.960 55.803 -0.006 0.000 0.850 1585 Q CB -0.064 28.678 28.738 0.008 0.000 0.901 1585 Q HN 0.131 nan 8.270 nan 0.000 0.422 1586 L N 0.809 122.002 121.223 -0.050 0.000 2.056 1586 L HA -0.129 4.222 4.340 0.019 0.000 0.207 1586 L C 2.177 178.955 176.870 -0.153 0.000 1.078 1586 L CA 1.747 56.521 54.840 -0.111 0.000 0.749 1586 L CB -0.506 41.413 42.059 -0.234 0.000 0.901 1586 L HN 0.102 nan 8.230 nan 0.000 0.433 1587 R N -0.428 119.962 120.500 -0.183 0.000 2.091 1587 R HA -0.172 4.179 4.340 0.019 0.000 0.238 1587 R C 2.019 178.230 176.300 -0.147 0.000 1.136 1587 R CA 1.623 57.588 56.100 -0.225 0.000 0.959 1587 R CB -0.385 29.796 30.300 -0.198 0.000 0.856 1587 R HN 0.460 nan 8.270 nan 0.000 0.437 1588 N N -0.081 118.580 118.700 -0.065 0.000 2.223 1588 N HA -0.076 4.675 4.740 0.019 0.000 0.185 1588 N C 0.794 176.334 175.510 0.049 0.000 1.016 1588 N CA 1.242 54.288 53.050 -0.006 0.000 0.863 1588 N CB 0.020 38.516 38.487 0.014 0.000 0.983 1588 N HN 0.034 nan 8.380 nan 0.000 0.429 1589 S N -0.238 115.513 115.700 0.085 0.000 2.618 1589 S HA 0.076 4.558 4.470 0.019 0.000 0.242 1589 S C 1.604 176.324 174.600 0.201 0.000 0.972 1589 S CA -0.213 58.118 58.200 0.218 0.000 1.004 1589 S CB 0.070 63.488 63.200 0.363 0.000 0.778 1589 S HN 0.397 nan 8.310 nan 0.000 0.459 1590 S N 0.953 116.664 115.700 0.018 0.000 2.383 1590 S HA -0.034 4.447 4.470 0.019 0.000 0.227 1590 S C 1.322 176.011 174.600 0.149 0.000 1.026 1590 S CA 0.718 58.909 58.200 -0.014 0.000 0.981 1590 S CB -0.590 62.383 63.200 -0.379 0.000 0.818 1590 S HN 0.435 nan 8.310 nan 0.000 0.472 1591 F N 1.504 121.655 119.950 0.336 0.000 2.367 1591 F HA 0.194 4.733 4.527 0.021 0.000 0.298 1591 F C 2.500 178.476 175.800 0.293 0.000 1.094 1591 F CA 0.676 58.902 58.000 0.377 0.000 1.409 1591 F CB -0.945 38.268 39.000 0.354 0.000 1.064 1591 F HN 0.407 nan 8.300 nan 0.000 0.528 1592 H N -1.150 118.101 119.070 0.301 0.000 2.389 1592 H HA -0.217 4.350 4.556 0.018 0.000 0.299 1592 H C 2.306 177.728 175.328 0.157 0.000 1.081 1592 H CA 1.401 57.562 56.048 0.189 0.000 1.345 1592 H CB -0.195 29.725 29.762 0.262 0.000 1.393 1592 H HN 0.269 nan 8.280 nan 0.000 0.520 1593 F N 1.339 121.237 119.950 -0.087 0.000 2.113 1593 F HA -0.141 4.399 4.527 0.021 0.000 0.297 1593 F C 2.096 177.721 175.800 -0.293 0.000 1.103 1593 F CA 1.106 58.809 58.000 -0.495 0.000 1.248 1593 F CB -0.540 38.074 39.000 -0.643 0.000 0.999 1593 F HN 0.061 nan 8.300 nan 0.000 0.475 1594 L N 0.154 121.272 121.223 -0.175 0.000 2.083 1594 L HA -0.199 4.153 4.340 0.019 0.000 0.209 1594 L C 2.710 179.435 176.870 -0.242 0.000 1.083 1594 L CA 1.665 56.367 54.840 -0.229 0.000 0.752 1594 L CB -0.705 41.455 42.059 0.169 0.000 0.899 1594 L HN 0.149 nan 8.230 nan 0.000 0.433 1595 R N 0.030 120.298 120.500 -0.386 0.000 2.075 1595 R HA -0.143 4.208 4.340 0.019 0.000 0.232 1595 R C 2.240 178.321 176.300 -0.364 0.000 1.126 1595 R CA 1.146 56.803 56.100 -0.739 0.000 0.963 1595 R CB 0.032 29.709 30.300 -1.039 0.000 0.858 1595 R HN 0.263 nan 8.270 nan 0.000 0.435 1596 E N 0.748 120.790 120.200 -0.264 0.000 2.077 1596 E HA -0.188 4.173 4.350 0.019 0.000 0.193 1596 E C 2.110 178.582 176.600 -0.213 0.000 0.989 1596 E CA 1.068 57.363 56.400 -0.176 0.000 0.800 1596 E CB -0.131 29.507 29.700 -0.103 0.000 0.746 1596 E HN 0.424 nan 8.360 nan 0.000 0.452 1597 L N 0.702 121.700 121.223 -0.375 0.000 2.027 1597 L HA -0.145 4.207 4.340 0.019 0.000 0.206 1597 L C 2.548 179.308 176.870 -0.182 0.000 1.074 1597 L CA 0.948 55.581 54.840 -0.345 0.000 0.745 1597 L CB -0.408 41.292 42.059 -0.597 0.000 0.898 1597 L HN 0.028 nan 8.230 nan 0.000 0.433 1598 S N -0.528 115.075 115.700 -0.162 0.000 2.383 1598 S HA -0.243 4.238 4.470 0.019 0.000 0.229 1598 S C 2.008 176.591 174.600 -0.029 0.000 1.030 1598 S CA 1.410 59.585 58.200 -0.041 0.000 1.002 1598 S CB -0.313 62.919 63.200 0.055 0.000 0.829 1598 S HN 0.331 nan 8.310 nan 0.000 0.467 1599 R N 1.046 121.500 120.500 -0.077 0.000 2.070 1599 R HA -0.109 4.242 4.340 0.019 0.000 0.233 1599 R C 2.321 178.652 176.300 0.052 0.000 1.137 1599 R CA 1.908 57.967 56.100 -0.069 0.000 0.945 1599 R CB -0.423 29.831 30.300 -0.076 0.000 0.845 1599 R HN 0.444 nan 8.270 nan 0.000 0.430 1600 V N -1.380 118.603 119.914 0.116 0.000 2.667 1600 V HA -0.031 4.100 4.120 0.019 0.000 0.252 1600 V C 1.839 178.187 176.094 0.425 0.000 1.065 1600 V CA 1.327 63.796 62.300 0.283 0.000 1.083 1600 V CB -0.340 31.615 31.823 0.221 0.000 0.692 1600 V HN 0.242 nan 8.190 nan 0.000 0.468 1601 L N -0.582 120.794 121.223 0.256 0.000 2.567 1601 L HA 0.331 4.683 4.340 0.019 0.000 0.225 1601 L C 1.163 178.231 176.870 0.329 0.000 1.119 1601 L CA 0.499 55.472 54.840 0.222 0.000 0.871 1601 L CB -0.720 41.375 42.059 0.060 0.000 1.036 1601 L HN 0.472 nan 8.230 nan 0.000 0.459 1602 H N -0.545 118.519 119.070 -0.009 0.000 2.862 1602 H HA -0.180 4.389 4.556 0.020 0.000 0.290 1602 H C 0.271 175.563 175.328 -0.060 0.000 1.211 1602 H CA 0.677 56.637 56.048 -0.147 0.000 1.140 1602 H CB -1.229 28.207 29.762 -0.544 0.000 1.341 1602 H HN 0.359 nan 8.280 nan 0.000 0.392 1603 T N -0.020 114.620 114.554 0.145 0.000 2.802 1603 T HA 0.186 4.548 4.350 0.019 0.000 0.311 1603 T C -0.983 173.802 174.700 0.143 0.000 1.405 1603 T CA -0.879 61.315 62.100 0.157 0.000 1.016 1603 T CB 1.502 70.479 68.868 0.181 0.000 1.352 1603 T HN 0.277 nan 8.240 nan 0.000 0.498 1604 N N 1.967 120.756 118.700 0.148 0.000 2.430 1604 N HA 0.375 5.126 4.740 0.019 0.000 0.265 1604 N C -0.626 174.925 175.510 0.069 0.000 1.100 1604 N CA -0.097 53.036 53.050 0.139 0.000 0.961 1604 N CB 1.484 40.057 38.487 0.143 0.000 1.075 1604 N HN 0.330 nan 8.380 nan 0.000 0.478 1605 V N 2.684 122.619 119.914 0.034 0.000 2.427 1605 V HA 0.350 4.481 4.120 0.019 0.000 0.286 1605 V C 0.352 176.414 176.094 -0.052 0.000 1.034 1605 V CA -0.698 61.565 62.300 -0.063 0.000 0.893 1605 V CB 1.821 33.532 31.823 -0.187 0.000 0.982 1605 V HN 0.288 nan 8.190 nan 0.000 0.452 1606 V N 5.318 125.196 119.914 -0.060 0.000 2.864 1606 V HA 0.608 4.740 4.120 0.019 0.000 0.314 1606 V C -0.721 175.325 176.094 -0.079 0.000 1.073 1606 V CA -0.721 61.574 62.300 -0.009 0.000 0.956 1606 V CB 2.075 33.938 31.823 0.066 0.000 1.023 1606 V HN 0.659 nan 8.190 nan 0.000 0.435 1607 F N 4.120 124.108 119.950 0.063 0.000 2.484 1607 F HA 0.335 4.873 4.527 0.019 0.000 0.360 1607 F C 0.779 176.599 175.800 0.033 0.000 1.101 1607 F CA 0.251 58.272 58.000 0.035 0.000 1.251 1607 F CB 0.519 39.513 39.000 -0.009 0.000 1.132 1607 F HN 0.413 nan 8.300 nan 0.000 0.570 1608 K N 3.406 123.942 120.400 0.227 0.000 2.319 1608 K HA 0.300 4.631 4.320 0.019 0.000 0.265 1608 K C -0.291 176.380 176.600 0.119 0.000 1.000 1608 K CA -0.321 56.058 56.287 0.153 0.000 0.943 1608 K CB 0.610 33.202 32.500 0.154 0.000 0.950 1608 K HN 0.651 nan 8.250 nan 0.000 0.485 1609 R N 2.034 122.584 120.500 0.083 0.000 2.711 1609 R HA 0.221 4.572 4.340 0.019 0.000 0.284 1609 R C -0.799 175.535 176.300 0.056 0.000 0.968 1609 R CA -0.980 55.155 56.100 0.058 0.000 0.924 1609 R CB 1.221 31.556 30.300 0.058 0.000 1.162 1609 R HN 0.678 nan 8.270 nan 0.000 0.465 1610 D N 0.582 121.019 120.400 0.062 0.000 2.384 1610 D HA 0.065 4.716 4.640 0.019 0.000 0.244 1610 D C 1.106 177.460 176.300 0.090 0.000 1.251 1610 D CA 0.006 54.052 54.000 0.076 0.000 0.961 1610 D CB 0.561 41.412 40.800 0.084 0.000 1.116 1610 D HN 0.614 nan 8.370 nan 0.000 0.484 1611 A N 0.070 122.950 122.820 0.099 0.000 2.076 1611 A HA -0.201 4.131 4.320 0.019 0.000 0.220 1611 A C 1.332 179.075 177.584 0.265 0.000 1.160 1611 A CA 1.375 53.506 52.037 0.157 0.000 0.653 1611 A CB -0.704 18.394 19.000 0.163 0.000 0.801 1611 A HN 0.607 nan 8.150 nan 0.000 0.455 1612 H N -2.073 117.012 119.070 0.024 0.000 2.551 1612 H HA 0.282 4.849 4.556 0.019 0.000 0.271 1612 H C 1.585 176.924 175.328 0.019 0.000 0.984 1612 H CA 0.053 56.113 56.048 0.020 0.000 1.164 1612 H CB 0.356 30.132 29.762 0.024 0.000 1.437 1612 H HN 0.650 nan 8.280 nan 0.000 0.550 1613 G N 1.505 110.384 108.800 0.132 0.000 2.176 1613 G HA2 -0.301 3.671 3.960 0.019 0.000 0.253 1613 G HA3 -0.301 3.671 3.960 0.019 0.000 0.253 1613 G C 0.191 175.125 174.900 0.056 0.000 0.979 1613 G CA 0.109 45.254 45.100 0.074 0.000 0.641 1613 G HN 0.453 nan 8.290 nan 0.000 0.530 1614 Q N 0.303 120.141 119.800 0.064 0.000 2.299 1614 Q HA 0.474 4.826 4.340 0.019 0.000 0.246 1614 Q C 0.449 176.430 176.000 -0.031 0.000 0.935 1614 Q CA -0.407 55.406 55.803 0.017 0.000 0.887 1614 Q CB 0.403 29.164 28.738 0.039 0.000 1.223 1614 Q HN 0.527 nan 8.270 nan 0.000 0.439 1615 Q N 2.448 122.179 119.800 -0.114 0.000 2.311 1615 Q HA 0.071 4.423 4.340 0.019 0.000 0.272 1615 Q C -0.455 175.353 176.000 -0.321 0.000 1.012 1615 Q CA 0.369 56.052 55.803 -0.200 0.000 0.891 1615 Q CB 0.673 29.170 28.738 -0.403 0.000 1.201 1615 Q HN 0.538 nan 8.270 nan 0.000 0.391 1616 M N 4.567 124.003 119.600 -0.275 0.000 3.268 1616 M HA 0.145 4.636 4.480 0.019 0.000 0.249 1616 M C -0.736 175.135 176.300 -0.714 0.000 1.527 1616 M CA 0.503 55.413 55.300 -0.652 0.000 1.645 1616 M CB -0.558 31.870 32.600 -0.287 0.000 1.193 1616 M HN 0.387 nan 8.290 nan 0.000 0.534 1617 I N 2.502 122.564 120.570 -0.848 0.000 2.420 1617 I HA 0.436 4.618 4.170 0.019 0.000 0.282 1617 I C -0.850 175.006 176.117 -0.434 0.000 1.019 1617 I CA -0.369 60.605 61.300 -0.543 0.000 1.130 1617 I CB 0.761 38.478 38.000 -0.471 0.000 1.262 1617 I HN 0.247 nan 8.210 nan 0.000 0.454 1618 F N 6.099 126.049 119.950 -0.000 0.000 2.579 1618 F HA 0.647 5.186 4.527 0.020 0.000 0.324 1618 F C -2.328 173.403 175.800 -0.115 0.000 1.058 1618 F CA -3.145 54.840 58.000 -0.024 0.000 0.944 1618 F CB 0.839 39.890 39.000 0.086 0.000 1.245 1618 F HN 0.169 nan 8.300 nan 0.000 0.477 1619 P HA -0.050 nan 4.420 nan 0.000 0.268 1619 P C -0.863 176.292 177.300 -0.242 0.000 1.205 1619 P CA 0.114 63.004 63.100 -0.349 0.000 0.771 1619 P CB 0.193 31.378 31.700 -0.858 0.000 0.858 1620 Y N 3.690 123.865 120.300 -0.208 0.000 2.636 1620 Y HA 0.223 4.784 4.550 0.019 0.000 0.334 1620 Y C -0.266 175.600 175.900 -0.058 0.000 1.286 1620 Y CA -1.125 56.929 58.100 -0.077 0.000 1.688 1620 Y CB -1.491 36.953 38.460 -0.026 0.000 1.662 1620 Y HN 0.270 nan 8.280 nan 0.000 0.465 1621 Y N 2.959 123.215 120.300 -0.074 0.000 2.881 1621 Y HA 0.198 4.760 4.550 0.019 0.000 0.335 1621 Y C 1.368 177.153 175.900 -0.191 0.000 1.263 1621 Y CA 1.619 59.658 58.100 -0.102 0.000 1.572 1621 Y CB -0.095 38.317 38.460 -0.080 0.000 1.237 1621 Y HN 0.807 nan 8.280 nan 0.000 0.568 1672 V N 5.005 124.933 119.914 0.023 0.000 2.453 1672 V HA 0.008 4.139 4.120 0.019 0.000 0.247 1672 V C 1.733 177.835 176.094 0.013 0.000 1.048 1672 V CA 1.509 63.815 62.300 0.011 0.000 1.049 1672 V CB -0.136 31.694 31.823 0.010 0.000 0.672 1672 V HN 0.520 nan 8.190 nan 0.000 0.457 1673 R N 0.301 120.817 120.500 0.026 0.000 2.325 1673 R HA 0.199 4.550 4.340 0.019 0.000 0.214 1673 R C 0.647 176.965 176.300 0.031 0.000 0.961 1673 R CA 0.432 56.546 56.100 0.023 0.000 1.086 1673 R CB -0.060 30.255 30.300 0.025 0.000 1.037 1673 R HN 0.532 nan 8.270 nan 0.000 0.493 1674 G N -0.311 108.523 108.800 0.057 0.000 2.415 1674 G HA2 0.404 4.375 3.960 0.019 0.000 0.327 1674 G HA3 0.404 4.375 3.960 0.019 0.000 0.327 1674 G C -0.790 174.145 174.900 0.060 0.000 1.182 1674 G CA -0.202 44.954 45.100 0.093 0.000 0.924 1674 G HN -0.035 nan 8.290 nan 0.000 0.470 1675 S N 0.385 116.075 115.700 -0.016 0.000 2.532 1675 S HA 0.607 5.088 4.470 0.019 0.000 0.301 1675 S C -0.744 173.808 174.600 -0.081 0.000 1.083 1675 S CA -0.462 57.708 58.200 -0.050 0.000 1.025 1675 S CB 1.685 64.808 63.200 -0.129 0.000 1.056 1675 S HN 0.619 nan 8.310 nan 0.000 0.494 1676 I N 3.268 123.838 120.570 -0.000 0.000 2.436 1676 I HA 0.656 4.837 4.170 0.019 0.000 0.289 1676 I C -1.065 175.047 176.117 -0.007 0.000 1.010 1676 I CA -0.783 60.503 61.300 -0.023 0.000 1.098 1676 I CB 1.107 39.178 38.000 0.119 0.000 1.266 1676 I HN 0.481 nan 8.210 nan 0.000 0.434 1677 V N 4.766 124.614 119.914 -0.110 0.000 2.656 1677 V HA 0.562 4.693 4.120 0.019 0.000 0.307 1677 V C -1.676 174.353 176.094 -0.107 0.000 1.051 1677 V CA -0.450 61.837 62.300 -0.021 0.000 0.893 1677 V CB 1.513 33.374 31.823 0.063 0.000 0.999 1677 V HN 0.632 nan 8.190 nan 0.000 0.426 1678 Y N 5.257 125.578 120.300 0.034 0.000 2.342 1678 Y HA 0.747 5.308 4.550 0.018 0.000 0.338 1678 Y C 0.070 176.000 175.900 0.049 0.000 0.965 1678 Y CA -0.606 57.523 58.100 0.049 0.000 1.159 1678 Y CB 1.707 40.211 38.460 0.074 0.000 1.157 1678 Y HN 0.578 nan 8.280 nan 0.000 0.486 1679 L N 3.802 125.071 121.223 0.076 0.000 2.342 1679 L HA 0.547 4.899 4.340 0.019 0.000 0.271 1679 L C -0.401 176.470 176.870 0.002 0.000 1.008 1679 L CA -0.972 53.853 54.840 -0.025 0.000 0.818 1679 L CB 2.000 43.966 42.059 -0.155 0.000 1.296 1679 L HN 0.529 nan 8.230 nan 0.000 0.427 1680 E N 2.942 123.142 120.200 -0.000 0.000 2.191 1680 E HA 0.434 4.795 4.350 0.019 0.000 0.274 1680 E C -1.038 175.553 176.600 -0.015 0.000 0.948 1680 E CA -0.877 55.530 56.400 0.011 0.000 0.802 1680 E CB 2.835 32.560 29.700 0.042 0.000 1.137 1680 E HN 0.285 nan 8.360 nan 0.000 0.397 1681 I N 2.346 122.912 120.570 -0.005 0.000 2.310 1681 I HA 0.152 4.333 4.170 0.019 0.000 0.287 1681 I C 0.134 176.275 176.117 0.039 0.000 1.073 1681 I CA -0.468 60.834 61.300 0.003 0.000 1.216 1681 I CB 0.062 38.057 38.000 -0.008 0.000 1.415 1681 I HN 0.355 nan 8.210 nan 0.000 0.480 1682 D N 5.663 126.086 120.400 0.039 0.000 2.312 1682 D HA 0.152 4.803 4.640 0.019 0.000 0.252 1682 D C 0.183 176.511 176.300 0.047 0.000 1.150 1682 D CA 0.027 54.051 54.000 0.040 0.000 0.870 1682 D CB 1.100 41.920 40.800 0.033 0.000 1.153 1682 D HN 0.316 nan 8.370 nan 0.000 0.457 1683 N N 2.550 121.273 118.700 0.037 0.000 2.401 1683 N HA 0.023 4.774 4.740 0.019 0.000 0.264 1683 N C 1.261 176.765 175.510 -0.010 0.000 1.238 1683 N CA -0.127 52.937 53.050 0.023 0.000 0.889 1683 N CB 0.506 39.016 38.487 0.038 0.000 1.196 1683 N HN 0.531 nan 8.380 nan 0.000 0.511 1684 R N -0.018 120.474 120.500 -0.014 0.000 2.148 1684 R HA 0.011 4.362 4.340 0.019 0.000 0.227 1684 R C 1.300 177.556 176.300 -0.074 0.000 1.103 1684 R CA 1.236 57.316 56.100 -0.033 0.000 0.983 1684 R CB 0.069 30.356 30.300 -0.023 0.000 0.874 1684 R HN 0.110 nan 8.270 nan 0.000 0.451 1685 Q N -0.472 119.270 119.800 -0.098 0.000 2.189 1685 Q HA 0.123 4.475 4.340 0.019 0.000 0.223 1685 Q C 1.159 177.030 176.000 -0.215 0.000 0.828 1685 Q CA -0.247 55.438 55.803 -0.198 0.000 0.967 1685 Q CB 0.697 29.274 28.738 -0.269 0.000 1.139 1685 Q HN 0.430 nan 8.270 nan 0.000 0.497 1686 c N -0.263 118.272 118.600 -0.109 0.000 2.631 1686 c HA 0.108 4.689 4.570 0.019 0.000 0.283 1686 c C 1.494 175.517 174.090 -0.112 0.000 1.295 1686 c CA 0.539 56.816 56.329 -0.088 0.000 1.697 1686 c CB -0.676 41.816 42.510 -0.030 0.000 2.128 1686 c HN 0.355 nan 8.230 nan 0.000 0.503 1692 Q N 1.209 120.764 119.800 -0.407 0.000 3.122 1692 Q HA 0.495 4.846 4.340 0.019 0.000 0.282 1692 Q C -1.133 174.396 176.000 -0.785 0.000 0.947 1692 Q CA -0.383 54.878 55.803 -0.904 0.000 0.812 1692 Q CB 1.002 29.144 28.738 -0.994 0.000 1.333 1692 Q HN 0.526 nan 8.270 nan 0.000 0.430 1693 c N 0.690 119.026 118.600 -0.440 0.000 2.358 1693 c HA 0.554 5.135 4.570 0.019 0.000 0.354 1693 c C 0.171 174.243 174.090 -0.030 0.000 1.183 1693 c CA -0.787 55.406 56.329 -0.228 0.000 2.150 1693 c CB 0.237 42.711 42.510 -0.060 0.000 2.361 1693 c HN 0.552 nan 8.230 nan 0.000 0.535 1694 F N 1.264 121.360 119.950 0.244 0.000 2.484 1694 F HA 0.140 4.679 4.527 0.019 0.000 0.360 1694 F C 1.584 177.484 175.800 0.165 0.000 1.101 1694 F CA 0.262 58.422 58.000 0.265 0.000 1.251 1694 F CB 0.401 39.495 39.000 0.156 0.000 1.132 1694 F HN 0.677 nan 8.300 nan 0.000 0.570 1695 Q N 1.137 121.132 119.800 0.325 0.000 2.137 1695 Q HA -0.004 4.347 4.340 0.019 0.000 0.198 1695 Q C 0.448 176.548 176.000 0.167 0.000 0.960 1695 Q CA 1.098 57.023 55.803 0.203 0.000 0.847 1695 Q CB 0.157 28.994 28.738 0.165 0.000 0.915 1695 Q HN 0.726 nan 8.270 nan 0.000 0.448 1696 S N -2.202 113.602 115.700 0.174 0.000 2.627 1696 S HA 0.638 5.120 4.470 0.019 0.000 0.283 1696 S C 0.262 174.902 174.600 0.067 0.000 1.127 1696 S CA -0.418 57.848 58.200 0.109 0.000 0.863 1696 S CB 1.615 64.870 63.200 0.091 0.000 1.121 1696 S HN 0.090 nan 8.310 nan 0.000 0.479 1697 A N 1.246 124.076 122.820 0.017 0.000 2.067 1697 A HA 0.085 4.416 4.320 0.019 0.000 0.219 1697 A C 1.931 179.458 177.584 -0.094 0.000 1.158 1697 A CA 1.985 53.985 52.037 -0.062 0.000 0.661 1697 A CB -1.638 17.337 19.000 -0.042 0.000 0.801 1697 A HN 0.907 nan 8.150 nan 0.000 0.452 1698 T N 0.511 115.060 114.554 -0.010 0.000 2.746 1698 T HA -0.131 4.230 4.350 0.019 0.000 0.267 1698 T C 1.387 176.081 174.700 -0.009 0.000 1.039 1698 T CA 1.556 63.677 62.100 0.034 0.000 1.142 1698 T CB -0.364 68.575 68.868 0.119 0.000 0.866 1698 T HN 0.481 nan 8.240 nan 0.000 0.444 1699 D N 0.747 121.160 120.400 0.022 0.000 2.178 1699 D HA -0.027 4.624 4.640 0.019 0.000 0.202 1699 D C 2.241 178.493 176.300 -0.081 0.000 0.974 1699 D CA 0.518 54.558 54.000 0.068 0.000 0.841 1699 D CB -0.412 40.529 40.800 0.235 0.000 0.953 1699 D HN 0.218 nan 8.370 nan 0.000 0.478 1700 V N 1.415 121.116 119.914 -0.355 0.000 2.358 1700 V HA -0.200 3.931 4.120 0.019 0.000 0.246 1700 V C 2.539 178.359 176.094 -0.457 0.000 1.047 1700 V CA 1.677 63.538 62.300 -0.732 0.000 1.035 1700 V CB -0.710 30.684 31.823 -0.715 0.000 0.658 1700 V HN 0.169 nan 8.190 nan 0.000 0.452 1701 A N 0.134 122.670 122.820 -0.473 0.000 1.902 1701 A HA -0.134 4.197 4.320 0.019 0.000 0.217 1701 A C 2.445 179.578 177.584 -0.752 0.000 1.181 1701 A CA 2.096 53.700 52.037 -0.722 0.000 0.623 1701 A CB -0.840 17.481 19.000 -1.131 0.000 0.818 1701 A HN 0.567 nan 8.150 nan 0.000 0.443 1702 A N -1.375 121.129 122.820 -0.527 0.000 1.940 1702 A HA -0.112 4.219 4.320 0.019 0.000 0.219 1702 A C 2.079 179.479 177.584 -0.307 0.000 1.176 1702 A CA 1.646 53.535 52.037 -0.247 0.000 0.631 1702 A CB -0.722 18.246 19.000 -0.053 0.000 0.814 1702 A HN 0.645 nan 8.150 nan 0.000 0.446 1703 F N 0.274 120.034 119.950 -0.316 0.000 2.146 1703 F HA -0.103 4.435 4.527 0.020 0.000 0.298 1703 F C 1.945 177.629 175.800 -0.192 0.000 1.096 1703 F CA 1.655 59.543 58.000 -0.187 0.000 1.275 1703 F CB -0.117 38.906 39.000 0.037 0.000 1.008 1703 F HN 0.140 nan 8.300 nan 0.000 0.480 1704 L N -0.428 120.802 121.223 0.011 0.000 2.093 1704 L HA -0.130 4.222 4.340 0.019 0.000 0.208 1704 L C 2.790 179.555 176.870 -0.175 0.000 1.085 1704 L CA 1.259 56.070 54.840 -0.049 0.000 0.755 1704 L CB -1.493 40.502 42.059 -0.108 0.000 0.904 1704 L HN 0.287 nan 8.230 nan 0.000 0.435 1705 G N -0.372 108.274 108.800 -0.256 0.000 2.422 1705 G HA2 -0.243 3.728 3.960 0.019 0.000 0.218 1705 G HA3 -0.243 3.728 3.960 0.019 0.000 0.218 1705 G C 1.775 176.429 174.900 -0.411 0.000 1.146 1705 G CA 0.828 45.779 45.100 -0.248 0.000 0.769 1705 G HN 0.463 nan 8.290 nan 0.000 0.547 1706 A N 0.566 122.982 122.820 -0.674 0.000 1.877 1706 A HA 0.112 4.443 4.320 0.019 0.000 0.216 1706 A C 2.443 179.626 177.584 -0.668 0.000 1.186 1706 A CA 1.257 52.679 52.037 -1.023 0.000 0.620 1706 A CB -0.433 17.450 19.000 -1.863 0.000 0.822 1706 A HN 0.345 nan 8.150 nan 0.000 0.443 1707 L N -0.715 120.243 121.223 -0.443 0.000 2.017 1707 L HA -0.211 4.140 4.340 0.019 0.000 0.208 1707 L C 3.137 179.956 176.870 -0.084 0.000 1.073 1707 L CA 1.107 55.889 54.840 -0.098 0.000 0.745 1707 L CB -0.580 41.504 42.059 0.041 0.000 0.894 1707 L HN 0.445 nan 8.230 nan 0.000 0.432 1708 A N 0.237 122.987 122.820 -0.117 0.000 1.883 1708 A HA -0.273 4.058 4.320 0.019 0.000 0.217 1708 A C 2.513 180.039 177.584 -0.097 0.000 1.186 1708 A CA 2.296 54.285 52.037 -0.081 0.000 0.624 1708 A CB -0.940 18.015 19.000 -0.075 0.000 0.822 1708 A HN 0.540 nan 8.150 nan 0.000 0.444 1709 S N -0.312 115.273 115.700 -0.193 0.000 2.440 1709 S HA -0.051 4.430 4.470 0.019 0.000 0.238 1709 S C 1.468 175.980 174.600 -0.147 0.000 1.010 1709 S CA 1.522 59.586 58.200 -0.227 0.000 0.972 1709 S CB -0.549 62.295 63.200 -0.593 0.000 0.774 1709 S HN 0.431 nan 8.310 nan 0.000 0.501 1710 L N 0.777 121.937 121.223 -0.105 0.000 2.607 1710 L HA 0.390 4.741 4.340 0.019 0.000 0.228 1710 L C 1.642 178.522 176.870 0.017 0.000 1.123 1710 L CA 0.239 55.068 54.840 -0.019 0.000 0.890 1710 L CB -0.435 41.646 42.059 0.036 0.000 1.103 1710 L HN 0.518 nan 8.230 nan 0.000 0.468 1711 G N -0.057 108.747 108.800 0.007 0.000 2.198 1711 G HA2 -0.273 3.698 3.960 0.019 0.000 0.257 1711 G HA3 -0.273 3.698 3.960 0.019 0.000 0.257 1711 G C 0.606 175.528 174.900 0.035 0.000 1.042 1711 G CA 0.523 45.636 45.100 0.022 0.000 0.791 1711 G HN 0.348 nan 8.290 nan 0.000 0.502 1712 S N -1.020 114.705 115.700 0.041 0.000 2.701 1712 S HA 0.263 4.745 4.470 0.019 0.000 0.242 1712 S C 0.545 175.190 174.600 0.076 0.000 1.025 1712 S CA -0.196 58.046 58.200 0.070 0.000 1.016 1712 S CB 0.560 63.824 63.200 0.106 0.000 0.977 1712 S HN 0.536 nan 8.310 nan 0.000 0.546 1713 L N 4.948 126.202 121.223 0.051 0.000 2.399 1713 L HA 0.322 4.674 4.340 0.019 0.000 0.257 1713 L C 0.095 176.996 176.870 0.052 0.000 1.236 1713 L CA -0.228 54.645 54.840 0.055 0.000 1.144 1713 L CB -0.597 41.480 42.059 0.029 0.000 1.379 1713 L HN 0.143 nan 8.230 nan 0.000 0.414 1714 N N 5.362 124.097 118.700 0.060 0.000 3.124 1714 N HA 0.116 4.867 4.740 0.019 0.000 0.284 1714 N C -0.447 175.090 175.510 0.045 0.000 1.209 1714 N CA -0.278 52.801 53.050 0.048 0.000 1.149 1714 N CB -0.179 38.338 38.487 0.049 0.000 1.434 1714 N HN 0.651 nan 8.380 nan 0.000 0.529 1715 I N -3.282 117.317 120.570 0.047 0.000 2.740 1715 I HA 0.531 4.712 4.170 0.019 0.000 0.303 1715 I C -2.094 174.037 176.117 0.024 0.000 1.044 1715 I CA -2.656 58.679 61.300 0.058 0.000 1.064 1715 I CB 2.234 40.293 38.000 0.099 0.000 1.249 1715 I HN -0.224 nan 8.210 nan 0.000 0.433 1716 P HA 0.104 nan 4.420 nan 0.000 0.259 1716 P C -1.169 175.818 177.300 -0.521 0.000 1.307 1716 P CA 0.911 63.837 63.100 -0.290 0.000 0.768 1716 P CB -0.526 30.934 31.700 -0.400 0.000 1.199 1717 Y N -0.298 120.003 120.300 0.002 0.000 2.425 1717 Y HA 0.363 4.924 4.550 0.018 0.000 0.344 1717 Y C 0.710 176.623 175.900 0.021 0.000 0.969 1717 Y CA -1.164 56.953 58.100 0.027 0.000 1.052 1717 Y CB 1.852 40.377 38.460 0.109 0.000 1.215 1717 Y HN -0.355 nan 8.280 nan 0.000 0.451 1718 K N 4.530 125.015 120.400 0.142 0.000 2.273 1718 K HA 0.407 4.738 4.320 0.019 0.000 0.287 1718 K C -0.855 175.793 176.600 0.079 0.000 1.089 1718 K CA 0.055 56.390 56.287 0.080 0.000 0.909 1718 K CB 0.410 32.935 32.500 0.042 0.000 1.123 1718 K HN 0.522 nan 8.250 nan 0.000 0.473 1719 I N 3.570 124.180 120.570 0.068 0.000 2.336 1719 I HA 0.020 4.202 4.170 0.019 0.000 0.292 1719 I C 1.271 177.388 176.117 -0.001 0.000 0.991 1719 I CA -0.232 61.087 61.300 0.031 0.000 1.227 1719 I CB 1.417 39.439 38.000 0.037 0.000 1.366 1719 I HN 0.736 nan 8.210 nan 0.000 0.466 1720 E N 5.167 125.348 120.200 -0.033 0.000 2.290 1720 E HA 0.371 4.732 4.350 0.019 0.000 0.197 1720 E C 0.371 176.949 176.600 -0.036 0.000 0.948 1720 E CA -0.132 56.251 56.400 -0.029 0.000 0.895 1720 E CB 0.575 30.256 29.700 -0.030 0.000 0.865 1720 E HN 0.570 nan 8.360 nan 0.000 0.486 1721 A N 1.194 123.969 122.820 -0.074 0.000 2.486 1721 A HA 0.588 4.920 4.320 0.019 0.000 0.300 1721 A C -0.776 176.760 177.584 -0.079 0.000 1.048 1721 A CA -0.675 51.329 52.037 -0.055 0.000 0.696 1721 A CB 1.962 20.924 19.000 -0.064 0.000 1.278 1721 A HN 0.358 nan 8.150 nan 0.000 0.405 1722 V N 0.023 119.903 119.914 -0.058 0.000 2.769 1722 V HA 0.928 5.060 4.120 0.019 0.000 0.312 1722 V C -0.606 175.452 176.094 -0.061 0.000 1.061 1722 V CA -0.626 61.585 62.300 -0.148 0.000 0.931 1722 V CB 1.128 32.772 31.823 -0.298 0.000 1.010 1722 V HN 1.143 nan 8.190 nan 0.000 0.433 1723 Q N 2.565 122.310 119.800 -0.091 0.000 2.707 1723 Q HA 0.792 5.144 4.340 0.019 0.000 0.307 1723 Q C -0.981 175.007 176.000 -0.020 0.000 0.934 1723 Q CA -0.782 55.063 55.803 0.071 0.000 0.753 1723 Q CB 2.026 30.831 28.738 0.110 0.000 1.478 1723 Q HN 1.079 nan 8.270 nan 0.000 0.458 1724 S N -0.804 114.945 115.700 0.081 0.000 2.570 1724 S HA 0.654 5.135 4.470 0.019 0.000 0.286 1724 S C -1.149 173.500 174.600 0.082 0.000 1.099 1724 S CA -0.721 57.506 58.200 0.045 0.000 0.913 1724 S CB 2.318 65.551 63.200 0.055 0.000 1.085 1724 S HN 0.564 nan 8.310 nan 0.000 0.480 1725 E N 0.557 120.810 120.200 0.090 0.000 2.248 1725 E HA 0.441 4.802 4.350 0.019 0.000 0.267 1725 E C -0.652 176.007 176.600 0.099 0.000 0.877 1725 E CA -0.870 55.599 56.400 0.115 0.000 0.759 1725 E CB 2.177 31.982 29.700 0.175 0.000 1.182 1725 E HN 0.716 nan 8.360 nan 0.000 0.418 1726 T N 0.594 115.200 114.554 0.086 0.000 3.092 1726 T HA 0.212 4.573 4.350 0.019 0.000 0.258 1726 T C 0.202 174.942 174.700 0.067 0.000 1.031 1726 T CA 0.054 62.197 62.100 0.072 0.000 0.925 1726 T CB 0.228 69.134 68.868 0.063 0.000 1.036 1726 T HN 0.123 nan 8.240 nan 0.000 0.544 1727 V N 0.000 119.958 119.914 0.073 0.000 2.409 1727 V HA 0.000 4.131 4.120 0.019 0.000 0.244 1727 V CA 0.000 62.337 62.300 0.061 0.000 1.235 1727 V CB 0.000 31.855 31.823 0.053 0.000 1.184 1727 V HN 0.000 nan 8.190 nan 0.000 0.556