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 2p3n_1_D DATA FIRST_RESID 1501 DATA SEQUENCE MDRLDFSIKL LRKVGHLLMI HWGRVDNVEK KTGFKDIVTE IDREAQRMIV DATA SEQUENCE DEIRKFFPDE NIMAEEGIFE KGDRLWIIDP IDGTINFVHG LPNFSISLAY DATA SEQUENCE VENGEVKLGV VHAPALNETL YAEEGSGAFF NGERIRVSEN ASLEECVGST DATA SEQUENCE GSYVDFTGKF IERMEKRTRR IRILGSAALN AAYVGAGRVD FFVTWRINPW DATA SEQUENCE DIAAGLIIVK EAGGMVTDFS GKEANAFSKN FIFSNGLIHD EVVKVVNEVV DATA SEQUENCE EEIGGK 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 1501 M HA 0.000 nan 4.480 nan 0.000 0.227 1501 M C 0.000 176.311 176.300 0.018 0.000 1.140 1501 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1501 M CB 0.000 32.608 32.600 0.014 0.000 1.302 1502 D N 0.729 121.156 120.400 0.046 0.000 2.468 1502 D HA 0.195 4.835 4.640 -0.000 0.000 0.243 1502 D C 2.020 178.400 176.300 0.132 0.000 0.994 1502 D CA 1.465 55.505 54.000 0.066 0.000 0.932 1502 D CB 0.360 41.203 40.800 0.072 0.000 1.078 1502 D HN 0.322 nan 8.370 nan 0.000 0.473 1503 R N -0.212 120.361 120.500 0.122 0.000 2.075 1503 R HA -0.009 4.331 4.340 -0.000 0.000 0.232 1503 R C 2.207 178.621 176.300 0.191 0.000 1.126 1503 R CA 0.772 56.961 56.100 0.149 0.000 0.963 1503 R CB -0.412 29.836 30.300 -0.087 0.000 0.858 1503 R HN 0.215 nan 8.270 nan 0.000 0.435 1504 L N 1.411 122.680 121.223 0.078 0.000 2.017 1504 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 1504 L C 1.690 178.530 176.870 -0.048 0.000 1.073 1504 L CA 1.993 56.840 54.840 0.010 0.000 0.745 1504 L CB -0.570 41.463 42.059 -0.044 0.000 0.894 1504 L HN 0.040 nan 8.230 nan 0.000 0.432 1505 D N -1.317 119.058 120.400 -0.040 0.000 2.104 1505 D HA -0.299 4.341 4.640 -0.000 0.000 0.194 1505 D C 2.102 178.384 176.300 -0.030 0.000 0.994 1505 D CA 1.590 55.541 54.000 -0.081 0.000 0.830 1505 D CB -0.296 40.473 40.800 -0.051 0.000 0.959 1505 D HN 0.405 nan 8.370 nan 0.000 0.452 1506 F N 0.661 120.564 119.950 -0.078 0.000 2.126 1506 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 1506 F C 2.334 178.102 175.800 -0.053 0.000 1.096 1506 F CA 1.652 59.608 58.000 -0.075 0.000 1.255 1506 F CB -0.366 38.642 39.000 0.014 0.000 0.997 1506 F HN -0.121 nan 8.300 nan 0.000 0.479 1507 S N 1.021 116.764 115.700 0.072 0.000 2.368 1507 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 1507 S C 2.087 176.579 174.600 -0.181 0.000 1.029 1507 S CA 1.537 59.718 58.200 -0.032 0.000 0.988 1507 S CB -0.485 62.818 63.200 0.170 0.000 0.838 1507 S HN 0.433 nan 8.310 nan 0.000 0.462 1508 I N 1.326 121.772 120.570 -0.207 0.000 2.252 1508 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 1508 I C 2.277 178.220 176.117 -0.290 0.000 1.102 1508 I CA 1.200 62.335 61.300 -0.275 0.000 1.385 1508 I CB -0.207 37.569 38.000 -0.374 0.000 1.064 1508 I HN 0.229 nan 8.210 nan 0.000 0.414 1509 K N 0.154 120.389 120.400 -0.275 0.000 2.103 1509 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 1509 K C 2.044 178.468 176.600 -0.294 0.000 1.052 1509 K CA 0.916 57.049 56.287 -0.257 0.000 0.945 1509 K CB -0.202 32.170 32.500 -0.212 0.000 0.722 1509 K HN 0.110 nan 8.250 nan 0.000 0.443 1510 L N 1.748 122.732 121.223 -0.399 0.000 1.994 1510 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 1510 L C 1.906 178.611 176.870 -0.275 0.000 1.071 1510 L CA 1.617 56.219 54.840 -0.396 0.000 0.745 1510 L CB -0.461 41.227 42.059 -0.618 0.000 0.892 1510 L HN 0.126 nan 8.230 nan 0.000 0.431 1511 L N -0.894 120.167 121.223 -0.271 0.000 2.079 1511 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 1511 L C 2.765 179.425 176.870 -0.350 0.000 1.081 1511 L CA 1.456 56.161 54.840 -0.225 0.000 0.752 1511 L CB -0.596 41.364 42.059 -0.166 0.000 0.896 1511 L HN 0.312 nan 8.230 nan 0.000 0.433 1512 R N -0.013 120.170 120.500 -0.529 0.000 2.115 1512 R HA -0.164 4.176 4.340 -0.000 0.000 0.230 1512 R C 2.328 178.454 176.300 -0.289 0.000 1.111 1512 R CA 1.104 56.819 56.100 -0.641 0.000 0.976 1512 R CB -0.096 29.904 30.300 -0.500 0.000 0.870 1512 R HN 0.286 nan 8.270 nan 0.000 0.445 1513 K N 0.674 120.977 120.400 -0.161 0.000 2.001 1513 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 1513 K C 1.843 178.441 176.600 -0.003 0.000 1.048 1513 K CA 1.285 57.564 56.287 -0.014 0.000 0.932 1513 K CB 0.046 32.515 32.500 -0.052 0.000 0.715 1513 K HN -0.045 nan 8.250 nan 0.000 0.437 1514 V N 1.283 121.162 119.914 -0.059 0.000 2.469 1514 V HA -0.186 3.934 4.120 -0.000 0.000 0.251 1514 V C 2.394 178.487 176.094 -0.003 0.000 1.064 1514 V CA 1.986 64.271 62.300 -0.025 0.000 1.066 1514 V CB -1.026 30.765 31.823 -0.054 0.000 0.667 1514 V HN 0.647 nan 8.190 nan 0.000 0.461 1515 G N -0.570 108.200 108.800 -0.050 0.000 2.469 1515 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 1515 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 1515 G C 1.368 176.231 174.900 -0.061 0.000 1.150 1515 G CA 1.091 46.169 45.100 -0.037 0.000 0.763 1515 G HN 0.596 nan 8.290 nan 0.000 0.561 1516 H N -0.365 118.765 119.070 0.100 0.000 2.423 1516 H HA 0.005 4.561 4.556 -0.000 0.000 0.297 1516 H C 2.506 177.907 175.328 0.122 0.000 1.075 1516 H CA 1.167 57.276 56.048 0.102 0.000 1.342 1516 H CB -0.328 29.473 29.762 0.064 0.000 1.395 1516 H HN 0.347 nan 8.280 nan 0.000 0.530 1517 L N 0.679 122.028 121.223 0.210 0.000 2.042 1517 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 1517 L C 2.093 179.145 176.870 0.303 0.000 1.076 1517 L CA 1.249 56.216 54.840 0.212 0.000 0.749 1517 L CB -0.782 41.364 42.059 0.146 0.000 0.893 1517 L HN 0.029 nan 8.230 nan 0.000 0.432 1518 L N -0.841 120.533 121.223 0.251 0.000 2.046 1518 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 1518 L C 2.441 179.635 176.870 0.540 0.000 1.077 1518 L CA 1.723 56.762 54.840 0.332 0.000 0.747 1518 L CB -0.826 41.343 42.059 0.182 0.000 0.896 1518 L HN 0.318 nan 8.230 nan 0.000 0.432 1519 M N -1.415 118.421 119.600 0.393 0.000 2.358 1519 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 1519 M C 2.307 178.790 176.300 0.306 0.000 1.064 1519 M CA 1.384 56.922 55.300 0.396 0.000 1.093 1519 M CB -0.942 31.844 32.600 0.310 0.000 1.401 1519 M HN 0.234 nan 8.290 nan 0.000 0.440 1520 I N -0.891 119.779 120.570 0.166 0.000 2.315 1520 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 1520 I C 1.921 177.883 176.117 -0.258 0.000 1.117 1520 I CA 1.074 62.311 61.300 -0.105 0.000 1.404 1520 I CB -0.370 37.444 38.000 -0.310 0.000 1.071 1520 I HN 0.355 nan 8.210 nan 0.000 0.419 1521 H N -1.984 117.217 119.070 0.219 0.000 2.652 1521 H HA 0.015 4.571 4.556 -0.000 0.000 0.274 1521 H C 0.108 175.387 175.328 -0.081 0.000 1.021 1521 H CA -0.509 55.614 56.048 0.125 0.000 1.187 1521 H CB -0.107 29.789 29.762 0.224 0.000 1.505 1521 H HN 0.270 nan 8.280 nan 0.000 0.530 1522 W N 3.210 124.391 121.300 -0.197 0.000 2.520 1522 W HA 0.188 4.848 4.660 0.000 0.000 0.337 1522 W C 1.204 177.416 176.519 -0.511 0.000 1.406 1522 W CA 1.507 58.454 57.345 -0.663 0.000 1.318 1522 W CB -0.282 29.093 29.460 -0.142 0.000 1.338 1522 W HN 0.497 nan 8.180 nan 0.000 0.570 1523 G N 4.860 113.183 108.800 -0.794 0.000 2.184 1523 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.264 1523 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.264 1523 G C 0.859 175.524 174.900 -0.391 0.000 0.975 1523 G CA 0.433 45.159 45.100 -0.623 0.000 0.642 1523 G HN 0.578 nan 8.290 nan 0.000 0.536 1524 R N -0.122 120.196 120.500 -0.303 0.000 2.989 1524 R HA 0.440 4.780 4.340 -0.000 0.000 0.340 1524 R C -0.340 175.912 176.300 -0.080 0.000 1.205 1524 R CA -0.298 55.706 56.100 -0.161 0.000 1.235 1524 R CB 1.349 31.585 30.300 -0.106 0.000 1.394 1524 R HN 0.179 nan 8.270 nan 0.000 0.598 1525 V N 2.633 122.477 119.914 -0.116 0.000 2.348 1525 V HA 0.009 4.129 4.120 -0.000 0.000 0.270 1525 V C 0.620 176.689 176.094 -0.041 0.000 1.037 1525 V CA -0.389 61.889 62.300 -0.036 0.000 0.872 1525 V CB 1.080 32.892 31.823 -0.018 0.000 1.002 1525 V HN 0.445 nan 8.190 nan 0.000 0.464 1526 D N 3.741 124.131 120.400 -0.017 0.000 2.085 1526 D HA -0.099 4.541 4.640 -0.000 0.000 0.199 1526 D C 0.531 176.821 176.300 -0.016 0.000 0.981 1526 D CA 0.981 54.968 54.000 -0.022 0.000 0.834 1526 D CB -0.143 40.651 40.800 -0.010 0.000 0.992 1526 D HN 0.425 nan 8.370 nan 0.000 0.457 1527 N N 0.278 118.974 118.700 -0.006 0.000 2.437 1527 N HA 0.291 5.031 4.740 -0.000 0.000 0.259 1527 N C -1.190 174.326 175.510 0.010 0.000 0.983 1527 N CA -0.344 52.706 53.050 0.000 0.000 0.937 1527 N CB 2.395 40.882 38.487 -0.000 0.000 1.122 1527 N HN -0.030 nan 8.380 nan 0.000 0.499 1528 V N 2.891 122.814 119.914 0.016 0.000 2.328 1528 V HA 0.210 4.330 4.120 -0.000 0.000 0.278 1528 V C 0.347 176.464 176.094 0.038 0.000 1.021 1528 V CA -0.680 61.639 62.300 0.033 0.000 0.838 1528 V CB 1.059 32.908 31.823 0.043 0.000 0.999 1528 V HN 0.491 nan 8.190 nan 0.000 0.447 1529 E N 4.176 124.397 120.200 0.035 0.000 2.313 1529 E HA 0.385 4.735 4.350 -0.000 0.000 0.272 1529 E C -0.477 176.151 176.600 0.047 0.000 1.038 1529 E CA -0.756 55.666 56.400 0.035 0.000 0.863 1529 E CB 1.351 31.064 29.700 0.023 0.000 1.060 1529 E HN 0.630 nan 8.360 nan 0.000 0.402 1530 K N 2.501 122.933 120.400 0.053 0.000 2.211 1530 K HA 0.299 4.619 4.320 -0.000 0.000 0.275 1530 K C -0.008 176.621 176.600 0.049 0.000 1.024 1530 K CA -0.588 55.736 56.287 0.061 0.000 0.887 1530 K CB 1.779 34.327 32.500 0.080 0.000 1.084 1530 K HN 0.292 nan 8.250 nan 0.000 0.463 1531 K N 0.717 121.144 120.400 0.044 0.000 2.078 1531 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 1531 K C 0.738 177.361 176.600 0.038 0.000 1.043 1531 K CA 1.296 57.608 56.287 0.043 0.000 0.960 1531 K CB 0.325 32.853 32.500 0.048 0.000 0.761 1531 K HN 0.829 nan 8.250 nan 0.000 0.448 1532 T N -1.545 113.025 114.554 0.027 0.000 3.748 1532 T HA 0.484 4.834 4.350 -0.000 0.000 0.281 1532 T C 0.041 174.740 174.700 -0.002 0.000 0.977 1532 T CA -0.281 61.828 62.100 0.015 0.000 1.056 1532 T CB 0.760 69.630 68.868 0.003 0.000 1.138 1532 T HN 0.412 nan 8.240 nan 0.000 0.498 1533 G N 1.838 110.656 108.800 0.029 0.000 2.541 1533 G HA2 0.091 4.051 3.960 -0.000 0.000 0.686 1533 G HA3 0.091 4.051 3.960 -0.000 0.000 0.686 1533 G C -0.064 174.856 174.900 0.034 0.000 1.286 1533 G CA -0.304 44.830 45.100 0.057 0.000 0.894 1533 G HN 0.761 nan 8.290 nan 0.000 0.575 1534 F N -0.170 119.808 119.950 0.047 0.000 2.373 1534 F HA 0.147 4.674 4.527 -0.000 0.000 0.300 1534 F C 2.095 177.930 175.800 0.058 0.000 1.080 1534 F CA 1.567 59.598 58.000 0.053 0.000 1.417 1534 F CB -0.365 38.666 39.000 0.051 0.000 1.070 1534 F HN 0.452 nan 8.300 nan 0.000 0.546 1535 K N 0.790 120.721 120.400 -0.781 0.000 2.217 1535 K HA -0.077 4.243 4.320 -0.000 0.000 0.202 1535 K C -0.429 176.054 176.600 -0.196 0.000 1.051 1535 K CA 1.067 57.007 56.287 -0.580 0.000 0.952 1535 K CB -0.191 31.941 32.500 -0.614 0.000 0.736 1535 K HN 0.456 nan 8.250 nan 0.000 0.453 1536 D N 0.414 120.746 120.400 -0.113 0.000 2.479 1536 D HA 0.174 4.814 4.640 -0.000 0.000 0.246 1536 D C -0.728 175.585 176.300 0.022 0.000 1.336 1536 D CA -0.685 53.305 54.000 -0.017 0.000 0.967 1536 D CB 0.595 41.392 40.800 -0.004 0.000 1.275 1536 D HN 0.061 nan 8.370 nan 0.000 0.577 1537 I N 1.394 121.993 120.570 0.047 0.000 3.264 1537 I HA 0.859 5.029 4.170 -0.000 0.000 0.309 1537 I C -1.424 174.723 176.117 0.051 0.000 1.099 1537 I CA -0.986 60.348 61.300 0.057 0.000 0.989 1537 I CB 1.291 39.338 38.000 0.078 0.000 1.250 1537 I HN 0.270 nan 8.210 nan 0.000 0.478 1538 V N 0.936 120.875 119.914 0.042 0.000 3.147 1538 V HA 0.803 4.923 4.120 -0.000 0.000 0.306 1538 V C -0.600 175.509 176.094 0.025 0.000 1.209 1538 V CA 0.477 62.790 62.300 0.021 0.000 1.023 1538 V CB 2.326 34.147 31.823 -0.003 0.000 1.059 1538 V HN 1.336 nan 8.190 nan 0.000 0.435 1539 T N 0.704 115.267 114.554 0.015 0.000 2.838 1539 T HA 0.513 4.863 4.350 -0.000 0.000 0.292 1539 T C 0.362 175.052 174.700 -0.017 0.000 1.113 1539 T CA 0.064 62.176 62.100 0.019 0.000 1.008 1539 T CB 1.724 70.633 68.868 0.069 0.000 1.259 1539 T HN 0.678 nan 8.240 nan 0.000 0.520 1540 E N -0.403 119.781 120.200 -0.027 0.000 2.418 1540 E HA 0.033 4.383 4.350 -0.000 0.000 0.197 1540 E C 1.483 178.030 176.600 -0.088 0.000 1.026 1540 E CA 0.598 56.964 56.400 -0.057 0.000 0.862 1540 E CB -0.393 29.272 29.700 -0.058 0.000 0.799 1540 E HN 0.608 nan 8.360 nan 0.000 0.518 1541 I N 0.505 121.028 120.570 -0.078 0.000 2.500 1541 I HA -0.101 4.069 4.170 -0.000 0.000 0.252 1541 I C 1.212 177.246 176.117 -0.139 0.000 1.142 1541 I CA 0.921 62.151 61.300 -0.117 0.000 1.451 1541 I CB -1.045 36.953 38.000 -0.002 0.000 1.093 1541 I HN 0.093 nan 8.210 nan 0.000 0.430 1542 D N 1.081 121.405 120.400 -0.127 0.000 2.104 1542 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 1542 D C 2.384 178.608 176.300 -0.127 0.000 0.994 1542 D CA 1.259 55.169 54.000 -0.150 0.000 0.830 1542 D CB -0.064 40.667 40.800 -0.115 0.000 0.959 1542 D HN 0.249 nan 8.370 nan 0.000 0.452 1543 R N 0.489 120.926 120.500 -0.105 0.000 2.081 1543 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 1543 R C 2.236 178.481 176.300 -0.091 0.000 1.131 1543 R CA 1.009 57.050 56.100 -0.098 0.000 0.960 1543 R CB -0.300 29.950 30.300 -0.082 0.000 0.856 1543 R HN 0.324 nan 8.270 nan 0.000 0.436 1544 E N 0.756 120.902 120.200 -0.090 0.000 2.077 1544 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 1544 E C 1.912 178.473 176.600 -0.066 0.000 0.989 1544 E CA 1.220 57.574 56.400 -0.077 0.000 0.800 1544 E CB 0.019 29.663 29.700 -0.094 0.000 0.746 1544 E HN 0.366 nan 8.360 nan 0.000 0.452 1545 A N 0.694 123.465 122.820 -0.082 0.000 1.929 1545 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 1545 A C 2.092 179.630 177.584 -0.076 0.000 1.176 1545 A CA 1.319 53.313 52.037 -0.073 0.000 0.628 1545 A CB -0.474 18.466 19.000 -0.100 0.000 0.816 1545 A HN 0.334 nan 8.150 nan 0.000 0.444 1546 Q N -0.460 119.284 119.800 -0.092 0.000 2.061 1546 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 1546 Q C 2.396 178.350 176.000 -0.077 0.000 0.984 1546 Q CA 1.652 57.399 55.803 -0.092 0.000 0.846 1546 Q CB -0.216 28.451 28.738 -0.117 0.000 0.902 1546 Q HN 0.591 nan 8.270 nan 0.000 0.421 1547 R N 0.419 120.875 120.500 -0.074 0.000 2.105 1547 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 1547 R C 2.089 178.359 176.300 -0.049 0.000 1.135 1547 R CA 1.768 57.831 56.100 -0.062 0.000 0.967 1547 R CB -0.412 29.854 30.300 -0.057 0.000 0.861 1547 R HN 0.440 nan 8.270 nan 0.000 0.442 1548 M N 0.042 119.615 119.600 -0.045 0.000 2.254 1548 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 1548 M C 1.785 178.058 176.300 -0.045 0.000 1.066 1548 M CA 1.335 56.614 55.300 -0.036 0.000 1.123 1548 M CB 0.119 32.702 32.600 -0.028 0.000 1.388 1548 M HN 0.123 nan 8.290 nan 0.000 0.425 1549 I N -1.103 119.433 120.570 -0.057 0.000 2.235 1549 I HA -0.194 3.976 4.170 -0.000 0.000 0.241 1549 I C 2.202 178.286 176.117 -0.055 0.000 1.085 1549 I CA 0.618 61.878 61.300 -0.067 0.000 1.378 1549 I CB -0.494 37.468 38.000 -0.062 0.000 1.076 1549 I HN 0.033 nan 8.210 nan 0.000 0.415 1550 V N 1.195 121.077 119.914 -0.054 0.000 2.324 1550 V HA -0.364 3.756 4.120 -0.000 0.000 0.250 1550 V C 2.382 178.451 176.094 -0.042 0.000 1.060 1550 V CA 2.331 64.599 62.300 -0.055 0.000 1.042 1550 V CB -0.707 31.082 31.823 -0.056 0.000 0.650 1550 V HN 0.549 nan 8.190 nan 0.000 0.450 1551 D N -0.233 120.147 120.400 -0.033 0.000 2.116 1551 D HA -0.247 4.393 4.640 -0.000 0.000 0.193 1551 D C 2.154 178.457 176.300 0.005 0.000 0.998 1551 D CA 2.041 56.027 54.000 -0.024 0.000 0.836 1551 D CB 0.098 40.884 40.800 -0.023 0.000 0.951 1551 D HN 0.508 nan 8.370 nan 0.000 0.449 1552 E N 0.030 120.263 120.200 0.056 0.000 2.072 1552 E HA -0.032 4.318 4.350 -0.000 0.000 0.190 1552 E C 2.370 179.164 176.600 0.323 0.000 0.982 1552 E CA 0.563 57.091 56.400 0.213 0.000 0.803 1552 E CB -0.259 29.564 29.700 0.205 0.000 0.755 1552 E HN 0.413 nan 8.360 nan 0.000 0.453 1553 I N 0.427 121.105 120.570 0.180 0.000 2.226 1553 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 1553 I C 2.269 178.379 176.117 -0.013 0.000 1.100 1553 I CA 0.889 62.194 61.300 0.008 0.000 1.374 1553 I CB -0.263 37.504 38.000 -0.389 0.000 1.057 1553 I HN 0.053 nan 8.210 nan 0.000 0.413 1554 R N 1.042 121.521 120.500 -0.036 0.000 2.091 1554 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 1554 R C 2.176 178.417 176.300 -0.099 0.000 1.136 1554 R CA 1.362 57.434 56.100 -0.047 0.000 0.959 1554 R CB -0.755 29.515 30.300 -0.050 0.000 0.856 1554 R HN 0.405 nan 8.270 nan 0.000 0.437 1555 K N -0.314 119.996 120.400 -0.150 0.000 2.057 1555 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 1555 K C 1.427 177.670 176.600 -0.595 0.000 1.049 1555 K CA 1.382 57.445 56.287 -0.372 0.000 0.931 1555 K CB -0.011 32.198 32.500 -0.486 0.000 0.714 1555 K HN 0.045 nan 8.250 nan 0.000 0.440 1556 F N -1.139 118.624 119.950 -0.312 0.000 2.731 1556 F HA 0.225 4.752 4.527 0.000 0.000 0.298 1556 F C 0.027 175.181 175.800 -1.077 0.000 1.106 1556 F CA -0.110 57.462 58.000 -0.715 0.000 1.329 1556 F CB 0.689 39.099 39.000 -0.984 0.000 1.100 1556 F HN -0.132 nan 8.300 nan 0.000 0.592 1557 F N 0.242 120.135 119.950 -0.095 0.000 2.541 1557 F HA 0.305 4.832 4.527 -0.000 0.000 0.368 1557 F C -1.751 174.030 175.800 -0.033 0.000 1.530 1557 F CA -2.039 55.931 58.000 -0.051 0.000 1.102 1557 F CB 0.034 39.014 39.000 -0.033 0.000 1.382 1557 F HN -0.261 nan 8.300 nan 0.000 0.541 1558 P HA -0.186 nan 4.420 nan 0.000 0.218 1558 P C 0.292 177.631 177.300 0.064 0.000 1.146 1558 P CA 1.624 64.735 63.100 0.018 0.000 0.813 1558 P CB 0.100 31.775 31.700 -0.042 0.000 0.778 1559 D N -1.061 119.399 120.400 0.100 0.000 2.370 1559 D HA 0.087 4.727 4.640 -0.000 0.000 0.230 1559 D C 0.287 176.684 176.300 0.162 0.000 1.143 1559 D CA -0.160 53.905 54.000 0.109 0.000 0.834 1559 D CB -0.327 40.529 40.800 0.092 0.000 0.944 1559 D HN 0.292 nan 8.370 nan 0.000 0.504 1560 E N -0.027 120.300 120.200 0.211 0.000 2.299 1560 E HA 0.339 4.689 4.350 -0.000 0.000 0.265 1560 E C -0.294 176.465 176.600 0.265 0.000 0.911 1560 E CA -1.043 55.528 56.400 0.286 0.000 0.789 1560 E CB 1.302 31.276 29.700 0.456 0.000 1.246 1560 E HN -0.004 nan 8.360 nan 0.000 0.427 1561 N N 1.015 119.889 118.700 0.289 0.000 2.493 1561 N HA 0.422 5.162 4.740 -0.000 0.000 0.275 1561 N C -0.550 175.153 175.510 0.322 0.000 1.186 1561 N CA 0.026 53.225 53.050 0.249 0.000 0.978 1561 N CB 1.136 39.744 38.487 0.202 0.000 1.184 1561 N HN 0.344 nan 8.380 nan 0.000 0.487 1562 I N 1.182 121.893 120.570 0.236 0.000 2.569 1562 I HA 0.287 4.457 4.170 -0.000 0.000 0.290 1562 I C -0.535 175.709 176.117 0.212 0.000 1.088 1562 I CA -0.367 61.073 61.300 0.234 0.000 1.047 1562 I CB 2.330 40.408 38.000 0.129 0.000 1.237 1562 I HN 0.256 nan 8.210 nan 0.000 0.421 1563 M N 6.553 126.313 119.600 0.268 0.000 2.022 1563 M HA 0.669 5.149 4.480 -0.000 0.000 0.298 1563 M C -1.396 175.078 176.300 0.290 0.000 0.909 1563 M CA -0.365 55.138 55.300 0.339 0.000 0.914 1563 M CB 1.157 34.022 32.600 0.442 0.000 1.486 1563 M HN 0.690 nan 8.290 nan 0.000 0.415 1564 A N 3.151 126.036 122.820 0.109 0.000 2.324 1564 A HA 0.372 4.692 4.320 -0.000 0.000 0.330 1564 A C 0.698 178.128 177.584 -0.257 0.000 1.165 1564 A CA -0.571 51.430 52.037 -0.060 0.000 0.813 1564 A CB 1.156 20.075 19.000 -0.136 0.000 1.197 1564 A HN 0.975 nan 8.150 nan 0.000 0.484 1565 E N 1.141 120.954 120.200 -0.646 0.000 2.038 1565 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 1565 E C -0.039 176.224 176.600 -0.561 0.000 1.000 1565 E CA 1.325 56.921 56.400 -1.339 0.000 0.803 1565 E CB 0.030 28.787 29.700 -1.573 0.000 0.750 1565 E HN 0.638 nan 8.360 nan 0.000 0.448 1566 E N -0.181 119.787 120.200 -0.385 0.000 2.515 1566 E HA 0.137 4.487 4.350 -0.000 0.000 0.315 1566 E C 0.446 176.877 176.600 -0.281 0.000 1.523 1566 E CA 0.597 56.852 56.400 -0.242 0.000 1.704 1566 E CB 0.090 29.678 29.700 -0.186 0.000 1.395 1566 E HN 0.518 nan 8.360 nan 0.000 0.490 1567 G N 0.650 109.178 108.800 -0.454 0.000 2.184 1567 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.206 1567 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.206 1567 G C 0.222 174.574 174.900 -0.914 0.000 0.995 1567 G CA -0.474 44.251 45.100 -0.625 0.000 0.651 1567 G HN 0.362 nan 8.290 nan 0.000 0.511 1568 I N 0.882 120.811 120.570 -1.068 0.000 2.410 1568 I HA 0.552 4.722 4.170 -0.000 0.000 0.286 1568 I C -0.862 174.863 176.117 -0.653 0.000 1.009 1568 I CA -0.956 59.944 61.300 -0.666 0.000 1.111 1568 I CB 1.218 39.053 38.000 -0.275 0.000 1.262 1568 I HN -0.057 nan 8.210 nan 0.000 0.443 1569 F N 4.435 124.428 119.950 0.072 0.000 2.622 1569 F HA 0.421 4.948 4.527 -0.000 0.000 0.338 1569 F C 0.478 176.338 175.800 0.101 0.000 1.334 1569 F CA -0.874 57.196 58.000 0.116 0.000 1.179 1569 F CB 0.310 39.385 39.000 0.124 0.000 1.471 1569 F HN 0.385 nan 8.300 nan 0.000 0.576 1570 E N 1.106 121.448 120.200 0.236 0.000 2.292 1570 E HA 0.579 4.929 4.350 -0.000 0.000 0.258 1570 E C -0.517 176.191 176.600 0.179 0.000 1.115 1570 E CA -1.062 55.442 56.400 0.173 0.000 0.929 1570 E CB 1.911 31.694 29.700 0.138 0.000 1.161 1570 E HN 0.256 nan 8.360 nan 0.000 0.453 1571 K N -0.337 120.141 120.400 0.131 0.000 2.498 1571 K HA 0.630 4.950 4.320 -0.000 0.000 0.254 1571 K C -1.152 175.504 176.600 0.093 0.000 0.933 1571 K CA -0.461 55.889 56.287 0.105 0.000 0.806 1571 K CB 2.037 34.568 32.500 0.053 0.000 1.301 1571 K HN 0.651 nan 8.250 nan 0.000 0.432 1572 G N 1.661 110.515 108.800 0.090 0.000 2.349 1572 G HA2 0.082 4.042 3.960 -0.000 0.000 0.294 1572 G HA3 0.082 4.042 3.960 -0.000 0.000 0.294 1572 G C -0.777 174.160 174.900 0.061 0.000 1.380 1572 G CA -0.566 44.581 45.100 0.078 0.000 0.811 1572 G HN 0.542 nan 8.290 nan 0.000 0.519 1573 D N -0.250 120.178 120.400 0.047 0.000 2.103 1573 D HA 0.032 4.672 4.640 -0.000 0.000 0.199 1573 D C 1.133 177.422 176.300 -0.018 0.000 0.978 1573 D CA 0.922 54.930 54.000 0.014 0.000 0.829 1573 D CB 0.144 40.954 40.800 0.017 0.000 0.981 1573 D HN 0.267 nan 8.370 nan 0.000 0.464 1574 R N 0.237 120.769 120.500 0.052 0.000 2.207 1574 R HA 0.485 4.825 4.340 -0.000 0.000 0.334 1574 R C -0.754 175.649 176.300 0.172 0.000 1.013 1574 R CA -0.452 55.707 56.100 0.099 0.000 0.858 1574 R CB 1.159 31.626 30.300 0.278 0.000 1.094 1574 R HN -0.013 nan 8.270 nan 0.000 0.457 1575 L N 3.026 124.276 121.223 0.045 0.000 2.409 1575 L HA 0.578 4.918 4.340 -0.000 0.000 0.262 1575 L C -1.927 175.027 176.870 0.140 0.000 0.992 1575 L CA -0.543 54.398 54.840 0.167 0.000 0.817 1575 L CB 1.563 43.700 42.059 0.130 0.000 1.350 1575 L HN 0.517 nan 8.230 nan 0.000 0.411 1576 W N 5.741 127.173 121.300 0.220 0.000 2.471 1576 W HA 0.609 5.269 4.660 0.000 0.000 0.318 1576 W C -0.758 175.859 176.519 0.164 0.000 1.034 1576 W CA -0.564 56.901 57.345 0.200 0.000 1.224 1576 W CB 1.398 30.942 29.460 0.139 0.000 1.335 1576 W HN 0.120 nan 8.180 nan 0.000 0.452 1577 I N 5.560 126.327 120.570 0.329 0.000 2.353 1577 I HA 0.432 4.602 4.170 -0.000 0.000 0.293 1577 I C 0.069 176.353 176.117 0.278 0.000 0.992 1577 I CA -1.264 60.209 61.300 0.287 0.000 1.268 1577 I CB 0.319 38.434 38.000 0.193 0.000 1.387 1577 I HN 0.340 nan 8.210 nan 0.000 0.478 1578 I N 4.574 125.298 120.570 0.256 0.000 2.647 1578 I HA 0.400 4.570 4.170 -0.000 0.000 0.295 1578 I C -0.724 175.443 176.117 0.084 0.000 1.078 1578 I CA -0.656 60.739 61.300 0.158 0.000 1.048 1578 I CB 2.787 40.837 38.000 0.084 0.000 1.239 1578 I HN 0.366 nan 8.210 nan 0.000 0.421 1579 D N 6.584 127.016 120.400 0.053 0.000 2.421 1579 D HA 0.347 4.987 4.640 -0.000 0.000 0.254 1579 D C -2.118 174.153 176.300 -0.048 0.000 1.238 1579 D CA -2.040 51.945 54.000 -0.025 0.000 0.919 1579 D CB 2.551 43.422 40.800 0.117 0.000 1.152 1579 D HN 0.082 nan 8.370 nan 0.000 0.552 1580 P HA -0.016 nan 4.420 nan 0.000 0.215 1580 P C -0.009 177.222 177.300 -0.115 0.000 1.157 1580 P CA 1.181 64.215 63.100 -0.110 0.000 0.874 1580 P CB 0.340 31.954 31.700 -0.143 0.000 0.790 1581 I N -1.684 118.818 120.570 -0.114 0.000 2.571 1581 I HA 0.229 4.399 4.170 -0.000 0.000 0.286 1581 I C -0.984 175.123 176.117 -0.017 0.000 1.134 1581 I CA -0.836 60.403 61.300 -0.103 0.000 1.052 1581 I CB 2.236 40.084 38.000 -0.253 0.000 1.237 1581 I HN -0.252 nan 8.210 nan 0.000 0.435 1582 D N 5.241 125.660 120.400 0.032 0.000 2.317 1582 D HA 0.581 5.221 4.640 -0.000 0.000 0.234 1582 D C 0.646 176.999 176.300 0.090 0.000 1.112 1582 D CA 0.413 54.450 54.000 0.062 0.000 0.840 1582 D CB 1.178 42.004 40.800 0.043 0.000 1.078 1582 D HN 0.833 nan 8.370 nan 0.000 0.486 1583 G N 2.719 111.581 108.800 0.104 0.000 2.309 1583 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.183 1583 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.183 1583 G C 1.031 176.037 174.900 0.176 0.000 1.063 1583 G CA 0.115 45.298 45.100 0.137 0.000 0.768 1583 G HN 0.520 nan 8.290 nan 0.000 0.490 1584 T N 0.564 115.198 114.554 0.132 0.000 2.759 1584 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 1584 T C 2.574 177.401 174.700 0.211 0.000 1.042 1584 T CA 1.522 63.715 62.100 0.156 0.000 1.140 1584 T CB -0.068 68.860 68.868 0.101 0.000 0.864 1584 T HN 0.507 nan 8.240 nan 0.000 0.455 1585 I N 1.205 121.878 120.570 0.172 0.000 2.226 1585 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 1585 I C 2.421 178.676 176.117 0.230 0.000 1.100 1585 I CA 0.983 62.399 61.300 0.193 0.000 1.374 1585 I CB -0.316 37.757 38.000 0.121 0.000 1.057 1585 I HN 0.160 nan 8.210 nan 0.000 0.413 1586 N N 0.692 119.515 118.700 0.205 0.000 2.106 1586 N HA -0.207 4.533 4.740 -0.000 0.000 0.188 1586 N C 1.703 177.388 175.510 0.293 0.000 1.029 1586 N CA 1.200 54.397 53.050 0.245 0.000 0.848 1586 N CB -0.446 38.200 38.487 0.265 0.000 1.007 1586 N HN 0.220 nan 8.380 nan 0.000 0.423 1587 F N 1.198 121.177 119.950 0.048 0.000 2.095 1587 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 1587 F C 2.088 177.901 175.800 0.021 0.000 1.104 1587 F CA 1.027 58.925 58.000 -0.170 0.000 1.232 1587 F CB -0.585 38.198 39.000 -0.362 0.000 0.987 1587 F HN -0.170 nan 8.300 nan 0.000 0.475 1588 V N 0.151 120.070 119.914 0.009 0.000 2.261 1588 V HA -0.334 3.786 4.120 -0.000 0.000 0.246 1588 V C 2.482 178.469 176.094 -0.179 0.000 1.047 1588 V CA 2.372 64.610 62.300 -0.104 0.000 1.015 1588 V CB -0.877 30.974 31.823 0.047 0.000 0.642 1588 V HN 0.425 nan 8.190 nan 0.000 0.446 1589 H N -0.383 118.641 119.070 -0.077 0.000 2.524 1589 H HA 0.065 4.621 4.556 0.000 0.000 0.282 1589 H C 1.890 177.121 175.328 -0.162 0.000 1.016 1589 H CA 0.979 56.977 56.048 -0.084 0.000 1.270 1589 H CB 0.204 29.959 29.762 -0.012 0.000 1.394 1589 H HN 0.593 nan 8.280 nan 0.000 0.568 1590 G N 0.555 109.288 108.800 -0.111 0.000 2.131 1590 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.201 1590 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.201 1590 G C -0.017 174.903 174.900 0.034 0.000 1.000 1590 G CA -0.182 44.678 45.100 -0.399 0.000 0.680 1590 G HN 0.174 nan 8.290 nan 0.000 0.514 1591 L N 1.043 122.496 121.223 0.383 0.000 2.326 1591 L HA 0.346 4.686 4.340 -0.000 0.000 0.278 1591 L C -0.181 177.178 176.870 0.814 0.000 1.092 1591 L CA -1.952 53.168 54.840 0.467 0.000 0.810 1591 L CB 1.399 43.635 42.059 0.294 0.000 1.153 1591 L HN -0.049 nan 8.230 nan 0.000 0.439 1592 P HA -0.102 nan 4.420 nan 0.000 0.226 1592 P C -0.094 177.244 177.300 0.063 0.000 1.153 1592 P CA 0.722 64.034 63.100 0.354 0.000 0.777 1592 P CB 0.147 31.981 31.700 0.224 0.000 0.794 1593 N N 1.399 120.198 118.700 0.164 0.000 2.895 1593 N HA 0.179 4.919 4.740 -0.000 0.000 0.277 1593 N C -0.327 175.251 175.510 0.114 0.000 1.185 1593 N CA 0.110 53.167 53.050 0.012 0.000 1.106 1593 N CB -1.038 37.447 38.487 -0.002 0.000 1.422 1593 N HN 0.267 nan 8.380 nan 0.000 0.521 1594 F N -1.586 118.302 119.950 -0.103 0.000 2.631 1594 F HA 0.768 5.295 4.527 0.000 0.000 0.308 1594 F C -0.344 175.350 175.800 -0.177 0.000 1.097 1594 F CA -1.234 56.714 58.000 -0.087 0.000 0.952 1594 F CB 1.116 40.134 39.000 0.030 0.000 1.307 1594 F HN 0.042 nan 8.300 nan 0.000 0.450 1595 S N 1.406 117.061 115.700 -0.074 0.000 2.615 1595 S HA 0.795 5.265 4.470 -0.000 0.000 0.269 1595 S C -1.503 173.057 174.600 -0.067 0.000 1.161 1595 S CA -0.989 57.085 58.200 -0.210 0.000 0.817 1595 S CB 1.446 64.481 63.200 -0.276 0.000 1.131 1595 S HN 0.821 nan 8.310 nan 0.000 0.467 1596 I N 1.645 122.175 120.570 -0.068 0.000 2.437 1596 I HA 0.649 4.819 4.170 -0.000 0.000 0.298 1596 I C 0.087 176.201 176.117 -0.004 0.000 0.984 1596 I CA -0.454 60.835 61.300 -0.018 0.000 1.214 1596 I CB 1.896 39.897 38.000 0.002 0.000 1.365 1596 I HN 0.675 nan 8.210 nan 0.000 0.469 1597 S N 5.926 121.637 115.700 0.020 0.000 2.521 1597 S HA 0.791 5.261 4.470 -0.000 0.000 0.295 1597 S C -1.294 173.356 174.600 0.084 0.000 1.098 1597 S CA -0.486 57.740 58.200 0.044 0.000 0.999 1597 S CB 1.229 64.460 63.200 0.052 0.000 1.034 1597 S HN 0.442 nan 8.310 nan 0.000 0.483 1598 L N 3.990 125.275 121.223 0.102 0.000 2.493 1598 L HA 0.906 5.246 4.340 -0.000 0.000 0.265 1598 L C -0.993 175.978 176.870 0.169 0.000 0.954 1598 L CA 0.008 54.948 54.840 0.166 0.000 0.844 1598 L CB 1.755 43.925 42.059 0.185 0.000 1.302 1598 L HN 0.827 nan 8.230 nan 0.000 0.405 1599 A N 3.449 126.380 122.820 0.185 0.000 2.449 1599 A HA 0.675 4.995 4.320 -0.000 0.000 0.302 1599 A C -2.229 175.395 177.584 0.067 0.000 1.048 1599 A CA -0.438 51.659 52.037 0.100 0.000 0.708 1599 A CB 1.250 20.274 19.000 0.039 0.000 1.274 1599 A HN 0.655 nan 8.150 nan 0.000 0.410 1600 Y N 2.540 122.669 120.300 -0.284 0.000 2.334 1600 Y HA 0.539 5.089 4.550 -0.000 0.000 0.336 1600 Y C -0.937 174.736 175.900 -0.379 0.000 0.960 1600 Y CA -1.201 56.516 58.100 -0.639 0.000 1.164 1600 Y CB 1.501 39.289 38.460 -1.120 0.000 1.155 1600 Y HN 0.366 nan 8.280 nan 0.000 0.478 1601 V N 7.266 126.822 119.914 -0.597 0.000 2.270 1601 V HA 0.188 4.308 4.120 -0.000 0.000 0.263 1601 V C -0.077 175.628 176.094 -0.649 0.000 1.066 1601 V CA -0.746 61.263 62.300 -0.486 0.000 0.857 1601 V CB 0.523 32.219 31.823 -0.211 0.000 1.099 1601 V HN 0.751 nan 8.190 nan 0.000 0.476 1602 E N 4.402 124.130 120.200 -0.787 0.000 2.259 1602 E HA 0.204 4.554 4.350 -0.000 0.000 0.281 1602 E C 0.675 177.116 176.600 -0.264 0.000 1.037 1602 E CA -0.254 55.791 56.400 -0.591 0.000 0.854 1602 E CB 0.268 29.646 29.700 -0.536 0.000 1.051 1602 E HN 0.660 nan 8.360 nan 0.000 0.409 1603 N N 3.900 122.503 118.700 -0.162 0.000 2.688 1603 N HA -0.250 4.490 4.740 -0.000 0.000 0.258 1603 N C 0.521 176.001 175.510 -0.049 0.000 1.016 1603 N CA 1.544 54.549 53.050 -0.075 0.000 0.747 1603 N CB -1.231 37.221 38.487 -0.058 0.000 0.895 1603 N HN 0.912 nan 8.380 nan 0.000 0.543 1604 G N -0.783 108.004 108.800 -0.022 0.000 2.257 1604 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.267 1604 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.267 1604 G C -0.239 174.673 174.900 0.019 0.000 0.984 1604 G CA 0.908 46.039 45.100 0.052 0.000 0.626 1604 G HN 0.668 nan 8.290 nan 0.000 0.540 1605 E N -0.069 120.094 120.200 -0.062 0.000 2.176 1605 E HA 0.494 4.844 4.350 -0.000 0.000 0.267 1605 E C -0.008 176.505 176.600 -0.144 0.000 0.893 1605 E CA -0.737 55.616 56.400 -0.080 0.000 0.761 1605 E CB 2.917 32.579 29.700 -0.063 0.000 1.133 1605 E HN 0.515 nan 8.360 nan 0.000 0.409 1606 V N 3.750 123.583 119.914 -0.135 0.000 2.521 1606 V HA 0.047 4.167 4.120 -0.000 0.000 0.286 1606 V C 0.211 176.235 176.094 -0.117 0.000 1.034 1606 V CA 0.280 62.487 62.300 -0.154 0.000 1.045 1606 V CB 0.221 31.973 31.823 -0.119 0.000 0.974 1606 V HN 0.677 nan 8.190 nan 0.000 0.480 1607 K N 6.699 127.010 120.400 -0.148 0.000 2.413 1607 K HA 0.396 4.716 4.320 -0.000 0.000 0.204 1607 K C -0.392 176.195 176.600 -0.022 0.000 1.041 1607 K CA -0.025 56.214 56.287 -0.081 0.000 1.082 1607 K CB 0.919 33.355 32.500 -0.106 0.000 0.871 1607 K HN 0.703 nan 8.250 nan 0.000 0.535 1608 L N -0.666 120.546 121.223 -0.018 0.000 2.666 1608 L HA 0.538 4.878 4.340 -0.000 0.000 0.259 1608 L C -1.892 175.006 176.870 0.047 0.000 0.919 1608 L CA -0.492 54.370 54.840 0.036 0.000 0.927 1608 L CB 2.016 44.097 42.059 0.037 0.000 1.423 1608 L HN 0.111 nan 8.230 nan 0.000 0.426 1609 G N 3.466 112.320 108.800 0.089 0.000 2.701 1609 G HA2 0.668 4.628 3.960 -0.000 0.000 0.300 1609 G HA3 0.668 4.628 3.960 -0.000 0.000 0.300 1609 G C -1.956 173.023 174.900 0.131 0.000 1.410 1609 G CA -0.493 44.662 45.100 0.092 0.000 1.014 1609 G HN 0.458 nan 8.290 nan 0.000 0.509 1610 V N 1.460 121.441 119.914 0.112 0.000 2.638 1610 V HA 0.614 4.734 4.120 -0.000 0.000 0.306 1610 V C -0.580 175.557 176.094 0.072 0.000 1.052 1610 V CA -0.755 61.615 62.300 0.118 0.000 0.885 1610 V CB 1.902 33.770 31.823 0.074 0.000 0.999 1610 V HN 0.623 nan 8.190 nan 0.000 0.424 1611 V N 3.829 123.776 119.914 0.056 0.000 2.443 1611 V HA 0.480 4.600 4.120 -0.000 0.000 0.293 1611 V C -1.019 175.074 176.094 -0.002 0.000 1.021 1611 V CA -0.562 61.731 62.300 -0.012 0.000 0.848 1611 V CB 1.674 33.444 31.823 -0.088 0.000 0.998 1611 V HN 0.982 nan 8.190 nan 0.000 0.424 1612 H N 3.740 122.733 119.070 -0.128 0.000 2.589 1612 H HA 0.756 5.312 4.556 -0.000 0.000 0.335 1612 H C -0.188 174.996 175.328 -0.240 0.000 1.019 1612 H CA -0.136 55.816 56.048 -0.160 0.000 1.213 1612 H CB 1.729 31.410 29.762 -0.135 0.000 1.472 1612 H HN 0.788 nan 8.280 nan 0.000 0.508 1613 A N 6.948 129.309 122.820 -0.766 0.000 2.444 1613 A HA 0.354 4.674 4.320 -0.000 0.000 0.332 1613 A C -2.038 174.926 177.584 -1.034 0.000 1.430 1613 A CA -1.571 49.980 52.037 -0.810 0.000 0.975 1613 A CB 0.382 19.037 19.000 -0.575 0.000 1.147 1613 A HN 0.711 nan 8.150 nan 0.000 0.524 1614 P HA -0.212 nan 4.420 nan 0.000 0.214 1614 P C 1.705 178.686 177.300 -0.531 0.000 1.163 1614 P CA 2.249 64.945 63.100 -0.675 0.000 0.883 1614 P CB 0.288 31.779 31.700 -0.348 0.000 0.788 1615 A N -1.121 121.238 122.820 -0.769 0.000 2.067 1615 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 1615 A C 2.032 179.396 177.584 -0.366 0.000 1.158 1615 A CA 1.297 52.948 52.037 -0.644 0.000 0.661 1615 A CB -1.425 16.908 19.000 -1.112 0.000 0.801 1615 A HN 0.157 nan 8.150 nan 0.000 0.452 1616 L N -1.849 119.145 121.223 -0.381 0.000 2.554 1616 L HA 0.127 4.467 4.340 -0.000 0.000 0.225 1616 L C 0.153 176.964 176.870 -0.098 0.000 1.104 1616 L CA -0.062 54.668 54.840 -0.183 0.000 0.866 1616 L CB -0.196 41.770 42.059 -0.156 0.000 1.047 1616 L HN 0.325 nan 8.230 nan 0.000 0.468 1617 N N 1.549 120.155 118.700 -0.156 0.000 2.780 1617 N HA -0.166 4.574 4.740 -0.000 0.000 0.248 1617 N C -0.483 175.078 175.510 0.084 0.000 1.102 1617 N CA 0.860 53.902 53.050 -0.013 0.000 0.697 1617 N CB -1.025 37.494 38.487 0.053 0.000 1.028 1617 N HN 0.544 nan 8.380 nan 0.000 0.554 1618 E N 0.103 120.285 120.200 -0.030 0.000 2.155 1618 E HA 0.341 4.691 4.350 -0.000 0.000 0.264 1618 E C -0.606 175.961 176.600 -0.056 0.000 0.886 1618 E CA -0.371 56.067 56.400 0.063 0.000 0.752 1618 E CB 1.207 30.906 29.700 -0.001 0.000 1.133 1618 E HN -0.002 nan 8.360 nan 0.000 0.414 1619 T N 4.048 118.658 114.554 0.093 0.000 2.842 1619 T HA 0.371 4.721 4.350 -0.000 0.000 0.308 1619 T C -0.448 174.277 174.700 0.042 0.000 1.041 1619 T CA -0.621 61.584 62.100 0.175 0.000 0.964 1619 T CB 0.146 69.197 68.868 0.306 0.000 0.972 1619 T HN 0.144 nan 8.240 nan 0.000 0.460 1620 L N 4.388 125.528 121.223 -0.139 0.000 2.331 1620 L HA 0.800 5.140 4.340 -0.000 0.000 0.275 1620 L C -0.412 176.496 176.870 0.063 0.000 1.022 1620 L CA -0.823 53.867 54.840 -0.251 0.000 0.812 1620 L CB 0.723 42.551 42.059 -0.386 0.000 1.257 1620 L HN 0.726 nan 8.230 nan 0.000 0.435 1621 Y N 0.096 120.413 120.300 0.028 0.000 2.779 1621 Y HA 0.888 5.438 4.550 0.000 0.000 0.340 1621 Y C -1.268 174.706 175.900 0.122 0.000 1.252 1621 Y CA -1.524 56.608 58.100 0.054 0.000 1.072 1621 Y CB 1.334 39.816 38.460 0.036 0.000 1.343 1621 Y HN 0.737 nan 8.280 nan 0.000 0.450 1622 A N 0.973 123.996 122.820 0.339 0.000 2.547 1622 A HA 0.544 4.864 4.320 -0.000 0.000 0.298 1622 A C -1.925 175.787 177.584 0.213 0.000 1.062 1622 A CA -0.533 51.666 52.037 0.270 0.000 0.748 1622 A CB 1.540 20.633 19.000 0.154 0.000 1.288 1622 A HN 0.838 nan 8.150 nan 0.000 0.396 1623 E N 1.883 122.210 120.200 0.211 0.000 2.151 1623 E HA 0.292 4.642 4.350 -0.000 0.000 0.275 1623 E C -0.116 176.550 176.600 0.111 0.000 0.936 1623 E CA -0.568 55.913 56.400 0.135 0.000 0.777 1623 E CB 0.874 30.647 29.700 0.121 0.000 1.108 1623 E HN 0.627 nan 8.360 nan 0.000 0.401 1624 E N 3.348 123.590 120.200 0.070 0.000 2.752 1624 E HA -0.103 4.247 4.350 -0.000 0.000 0.241 1624 E C 0.406 177.038 176.600 0.055 0.000 1.016 1624 E CA 1.522 57.953 56.400 0.051 0.000 0.952 1624 E CB 0.154 29.865 29.700 0.019 0.000 0.921 1624 E HN 0.897 nan 8.360 nan 0.000 0.515 1625 G N 3.587 112.422 108.800 0.060 0.000 2.195 1625 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.224 1625 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.224 1625 G C 0.734 175.681 174.900 0.078 0.000 0.990 1625 G CA 0.309 45.443 45.100 0.057 0.000 0.639 1625 G HN 0.523 nan 8.290 nan 0.000 0.514 1626 S N 0.258 116.027 115.700 0.116 0.000 2.603 1626 S HA 0.553 5.023 4.470 -0.000 0.000 0.232 1626 S C 1.180 175.895 174.600 0.192 0.000 1.016 1626 S CA 1.039 59.340 58.200 0.167 0.000 0.976 1626 S CB 1.192 64.522 63.200 0.217 0.000 0.921 1626 S HN 2.302 nan 8.310 nan 0.000 0.516 1627 G N 1.527 110.403 108.800 0.127 0.000 2.746 1627 G HA2 0.216 4.176 3.960 -0.000 0.000 0.685 1627 G HA3 0.216 4.176 3.960 -0.000 0.000 0.685 1627 G C -0.356 174.596 174.900 0.087 0.000 1.350 1627 G CA -0.735 44.395 45.100 0.050 0.000 0.837 1627 G HN 0.813 nan 8.290 nan 0.000 0.564 1628 A N -0.178 122.622 122.820 -0.034 0.000 2.304 1628 A HA 0.906 5.226 4.320 -0.000 0.000 0.301 1628 A C -0.433 177.039 177.584 -0.187 0.000 1.132 1628 A CA -0.008 52.015 52.037 -0.023 0.000 0.819 1628 A CB 0.596 19.578 19.000 -0.031 0.000 1.094 1628 A HN 1.302 nan 8.150 nan 0.000 0.492 1629 F N -0.476 119.253 119.950 -0.368 0.000 2.640 1629 F HA 0.657 5.184 4.527 0.000 0.000 0.324 1629 F C -0.541 174.945 175.800 -0.523 0.000 1.077 1629 F CA -0.651 57.060 58.000 -0.482 0.000 0.965 1629 F CB 2.135 40.704 39.000 -0.718 0.000 1.351 1629 F HN 0.539 nan 8.300 nan 0.000 0.487 1630 F N 2.182 122.031 119.950 -0.168 0.000 2.831 1630 F HA 0.267 4.794 4.527 0.000 0.000 0.346 1630 F C -0.203 175.639 175.800 0.070 0.000 1.224 1630 F CA -0.854 57.100 58.000 -0.077 0.000 1.048 1630 F CB 0.642 39.610 39.000 -0.052 0.000 1.339 1630 F HN 0.537 nan 8.300 nan 0.000 0.514 1631 N N 3.990 123.053 118.700 0.605 0.000 2.710 1631 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 1631 N C 0.812 176.528 175.510 0.343 0.000 1.059 1631 N CA 1.738 55.063 53.050 0.459 0.000 0.720 1631 N CB -1.141 37.568 38.487 0.370 0.000 0.983 1631 N HN 1.237 nan 8.380 nan 0.000 0.544 1632 G N -1.352 107.705 108.800 0.428 0.000 2.345 1632 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 1632 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 1632 G C -0.042 175.155 174.900 0.494 0.000 1.058 1632 G CA 0.300 45.626 45.100 0.376 0.000 0.632 1632 G HN 0.510 nan 8.290 nan 0.000 0.508 1633 E N 0.816 121.198 120.200 0.302 0.000 2.404 1633 E HA 0.480 4.830 4.350 -0.000 0.000 0.261 1633 E C 0.579 177.223 176.600 0.073 0.000 1.074 1633 E CA -0.453 56.037 56.400 0.150 0.000 0.917 1633 E CB 0.552 30.260 29.700 0.014 0.000 0.965 1633 E HN 0.294 nan 8.360 nan 0.000 0.433 1634 R N 2.172 122.586 120.500 -0.143 0.000 2.459 1634 R HA 0.429 4.769 4.340 -0.000 0.000 0.281 1634 R C -0.617 175.555 176.300 -0.213 0.000 1.050 1634 R CA -0.180 55.668 56.100 -0.420 0.000 1.055 1634 R CB 0.440 30.472 30.300 -0.447 0.000 1.045 1634 R HN 0.515 nan 8.270 nan 0.000 0.495 1635 I N -0.920 119.525 120.570 -0.208 0.000 2.865 1635 I HA 0.667 4.837 4.170 -0.000 0.000 0.302 1635 I C -0.969 175.100 176.117 -0.081 0.000 1.140 1635 I CA -1.215 60.032 61.300 -0.087 0.000 1.021 1635 I CB 2.721 40.726 38.000 0.008 0.000 1.233 1635 I HN 0.471 nan 8.210 nan 0.000 0.427 1636 R N 2.803 123.279 120.500 -0.040 0.000 2.698 1636 R HA 0.608 4.948 4.340 -0.000 0.000 0.275 1636 R C -0.612 175.694 176.300 0.010 0.000 1.001 1636 R CA -0.978 55.110 56.100 -0.020 0.000 0.896 1636 R CB 2.567 32.851 30.300 -0.028 0.000 1.218 1636 R HN 0.684 nan 8.270 nan 0.000 0.462 1637 V N -0.178 119.757 119.914 0.035 0.000 3.484 1637 V HA 0.132 4.252 4.120 -0.000 0.000 0.304 1637 V C 0.854 176.979 176.094 0.051 0.000 1.116 1637 V CA -0.392 61.944 62.300 0.061 0.000 1.187 1637 V CB 0.849 32.729 31.823 0.094 0.000 1.062 1637 V HN 0.939 nan 8.190 nan 0.000 0.489 1638 S N 0.681 116.421 115.700 0.066 0.000 2.617 1638 S HA 0.246 4.716 4.470 -0.000 0.000 0.259 1638 S C 0.348 174.983 174.600 0.058 0.000 1.301 1638 S CA 0.246 58.480 58.200 0.056 0.000 0.984 1638 S CB 0.689 63.930 63.200 0.068 0.000 0.954 1638 S HN 0.864 nan 8.310 nan 0.000 0.572 1639 E N -0.067 120.160 120.200 0.046 0.000 2.558 1639 E HA 0.172 4.522 4.350 -0.000 0.000 0.205 1639 E C -0.696 175.932 176.600 0.047 0.000 1.006 1639 E CA -0.383 56.041 56.400 0.042 0.000 0.961 1639 E CB 0.120 29.835 29.700 0.026 0.000 1.044 1639 E HN 0.507 nan 8.360 nan 0.000 0.465 1640 N N 1.247 119.984 118.700 0.062 0.000 2.405 1640 N HA 0.058 4.798 4.740 -0.000 0.000 0.260 1640 N C 0.332 175.884 175.510 0.070 0.000 1.152 1640 N CA 0.080 53.170 53.050 0.066 0.000 0.948 1640 N CB 1.526 40.063 38.487 0.083 0.000 1.111 1640 N HN 0.131 nan 8.380 nan 0.000 0.485 1641 A N 1.515 124.365 122.820 0.050 0.000 2.238 1641 A HA 0.069 4.389 4.320 -0.000 0.000 0.210 1641 A C 0.539 178.142 177.584 0.032 0.000 1.179 1641 A CA 0.159 52.221 52.037 0.041 0.000 0.827 1641 A CB 0.082 19.100 19.000 0.029 0.000 0.856 1641 A HN 0.557 nan 8.150 nan 0.000 0.488 1642 S N -1.371 114.351 115.700 0.037 0.000 2.538 1642 S HA 0.584 5.054 4.470 -0.000 0.000 0.288 1642 S C 0.549 175.174 174.600 0.042 0.000 1.108 1642 S CA -0.655 57.559 58.200 0.024 0.000 0.971 1642 S CB 1.228 64.438 63.200 0.017 0.000 1.041 1642 S HN 0.127 nan 8.310 nan 0.000 0.483 1643 L N 0.783 122.020 121.223 0.024 0.000 2.089 1643 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 1643 L C 2.016 178.933 176.870 0.080 0.000 1.079 1643 L CA 1.522 56.395 54.840 0.055 0.000 0.758 1643 L CB -0.498 41.554 42.059 -0.011 0.000 0.891 1643 L HN 0.708 nan 8.230 nan 0.000 0.433 1644 E N -0.518 119.709 120.200 0.045 0.000 2.516 1644 E HA -0.124 4.226 4.350 -0.000 0.000 0.199 1644 E C 1.584 178.213 176.600 0.049 0.000 1.069 1644 E CA 0.453 56.878 56.400 0.041 0.000 0.876 1644 E CB 0.041 29.753 29.700 0.021 0.000 0.843 1644 E HN 0.331 nan 8.360 nan 0.000 0.530 1645 E N -1.031 119.206 120.200 0.062 0.000 2.526 1645 E HA 0.117 4.467 4.350 -0.000 0.000 0.208 1645 E C -0.079 176.572 176.600 0.085 0.000 0.997 1645 E CA 0.018 56.454 56.400 0.060 0.000 0.961 1645 E CB 0.439 30.170 29.700 0.051 0.000 1.030 1645 E HN 0.161 nan 8.360 nan 0.000 0.483 1646 C N 0.035 119.411 119.300 0.126 0.000 2.423 1646 C HA 0.636 5.096 4.460 -0.000 0.000 0.378 1646 C C 0.381 175.453 174.990 0.137 0.000 1.244 1646 C CA -0.676 58.448 59.018 0.176 0.000 1.978 1646 C CB 1.697 29.645 27.740 0.348 0.000 2.252 1646 C HN -0.077 nan 8.230 nan 0.000 0.526 1647 V N 1.626 121.588 119.914 0.080 0.000 2.445 1647 V HA 0.588 4.708 4.120 -0.000 0.000 0.283 1647 V C 0.560 176.492 176.094 -0.271 0.000 1.014 1647 V CA 0.142 62.428 62.300 -0.024 0.000 0.852 1647 V CB 1.033 32.845 31.823 -0.018 0.000 1.021 1647 V HN 1.144 nan 8.190 nan 0.000 0.435 1648 G N 3.270 111.759 108.800 -0.518 0.000 2.537 1648 G HA2 0.832 4.792 3.960 -0.000 0.000 0.297 1648 G HA3 0.832 4.792 3.960 -0.000 0.000 0.297 1648 G C -0.297 174.344 174.900 -0.431 0.000 1.310 1648 G CA 0.009 44.257 45.100 -1.420 0.000 1.027 1648 G HN 0.986 nan 8.290 nan 0.000 0.505 1649 S N -2.130 113.443 115.700 -0.212 0.000 2.567 1649 S HA 0.800 5.270 4.470 -0.000 0.000 0.270 1649 S C -0.774 173.959 174.600 0.222 0.000 1.152 1649 S CA -0.704 57.553 58.200 0.096 0.000 0.835 1649 S CB 1.848 65.108 63.200 0.100 0.000 1.115 1649 S HN 0.911 nan 8.310 nan 0.000 0.459 1650 T N 0.146 114.820 114.554 0.200 0.000 2.812 1650 T HA 0.855 5.205 4.350 -0.000 0.000 0.294 1650 T C 0.251 175.093 174.700 0.236 0.000 1.159 1650 T CA -0.541 61.646 62.100 0.145 0.000 1.008 1650 T CB 1.256 70.094 68.868 -0.049 0.000 1.289 1650 T HN 1.131 nan 8.240 nan 0.000 0.514 1651 G N 0.015 108.916 108.800 0.168 0.000 2.488 1651 G HA2 0.510 4.470 3.960 -0.000 0.000 0.318 1651 G HA3 0.510 4.470 3.960 -0.000 0.000 0.318 1651 G C -0.550 173.856 174.900 -0.822 0.000 1.188 1651 G CA -0.669 44.266 45.100 -0.275 0.000 0.944 1651 G HN 0.589 nan 8.290 nan 0.000 0.495 1652 S N 0.554 115.844 115.700 -0.683 0.000 3.036 1652 S HA 0.308 4.778 4.470 -0.000 0.000 0.301 1652 S C -0.962 173.370 174.600 -0.447 0.000 1.205 1652 S CA -0.145 57.803 58.200 -0.421 0.000 0.999 1652 S CB -0.579 62.520 63.200 -0.168 0.000 1.337 1652 S HN 0.378 nan 8.310 nan 0.000 0.515 1653 Y N 0.075 120.529 120.300 0.256 0.000 2.361 1653 Y HA 0.285 4.835 4.550 -0.000 0.000 0.332 1653 Y C 1.367 177.464 175.900 0.329 0.000 1.101 1653 Y CA -0.911 57.409 58.100 0.366 0.000 1.137 1653 Y CB 0.728 39.590 38.460 0.671 0.000 1.207 1653 Y HN 0.216 nan 8.280 nan 0.000 0.463 1654 V N 1.539 121.727 119.914 0.457 0.000 2.688 1654 V HA -0.252 3.868 4.120 -0.000 0.000 0.256 1654 V C 0.296 176.570 176.094 0.301 0.000 1.084 1654 V CA 2.521 65.010 62.300 0.315 0.000 1.103 1654 V CB -0.229 31.749 31.823 0.258 0.000 0.688 1654 V HN 0.904 nan 8.190 nan 0.000 0.480 1655 D N -3.197 117.430 120.400 0.378 0.000 2.212 1655 D HA 0.059 4.699 4.640 -0.000 0.000 0.311 1655 D C 1.332 177.713 176.300 0.134 0.000 1.091 1655 D CA 0.081 54.208 54.000 0.212 0.000 0.910 1655 D CB -0.055 40.857 40.800 0.186 0.000 1.707 1655 D HN 0.309 nan 8.370 nan 0.000 0.522 1656 F N 2.422 122.341 119.950 -0.052 0.000 2.025 1656 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 1656 F C 2.214 178.067 175.800 0.088 0.000 1.132 1656 F CA 2.131 60.035 58.000 -0.159 0.000 1.191 1656 F CB -0.726 38.103 39.000 -0.284 0.000 0.963 1656 F HN -0.120 nan 8.300 nan 0.000 0.481 1657 T N -0.039 114.725 114.554 0.350 0.000 2.493 1657 T HA -0.317 4.033 4.350 -0.000 0.000 0.256 1657 T C 2.078 176.848 174.700 0.117 0.000 1.195 1657 T CA 2.135 64.366 62.100 0.219 0.000 1.183 1657 T CB -1.574 67.403 68.868 0.181 0.000 0.863 1657 T HN 0.501 nan 8.240 nan 0.000 0.418 1658 G N 2.600 111.456 108.800 0.093 0.000 2.556 1658 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.220 1658 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.220 1658 G C 1.653 176.560 174.900 0.013 0.000 1.156 1658 G CA 1.272 46.406 45.100 0.056 0.000 0.766 1658 G HN 0.379 nan 8.290 nan 0.000 0.583 1659 K N -0.004 120.372 120.400 -0.039 0.000 2.002 1659 K HA -0.054 4.266 4.320 -0.000 0.000 0.209 1659 K C 2.162 178.683 176.600 -0.131 0.000 1.048 1659 K CA 1.005 57.227 56.287 -0.109 0.000 0.930 1659 K CB -0.993 31.395 32.500 -0.187 0.000 0.714 1659 K HN 0.390 nan 8.250 nan 0.000 0.438 1660 F N 2.293 122.035 119.950 -0.348 0.000 2.120 1660 F HA -0.237 4.290 4.527 -0.000 0.000 0.300 1660 F C 2.028 177.754 175.800 -0.124 0.000 1.095 1660 F CA 1.205 59.015 58.000 -0.318 0.000 1.249 1660 F CB -0.063 38.697 39.000 -0.400 0.000 0.995 1660 F HN -0.104 nan 8.300 nan 0.000 0.480 1661 I N 0.281 120.940 120.570 0.148 0.000 2.179 1661 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 1661 I C 2.321 178.430 176.117 -0.014 0.000 1.088 1661 I CA 1.519 62.881 61.300 0.103 0.000 1.357 1661 I CB -1.498 36.561 38.000 0.099 0.000 1.051 1661 I HN 0.289 nan 8.210 nan 0.000 0.409 1662 E N 0.777 120.952 120.200 -0.042 0.000 2.031 1662 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 1662 E C 1.974 178.509 176.600 -0.109 0.000 0.994 1662 E CA 1.041 57.403 56.400 -0.063 0.000 0.800 1662 E CB -0.065 29.600 29.700 -0.059 0.000 0.752 1662 E HN 0.403 nan 8.360 nan 0.000 0.447 1663 R N -0.519 119.876 120.500 -0.174 0.000 2.325 1663 R HA 0.065 4.405 4.340 -0.000 0.000 0.214 1663 R C 1.147 177.280 176.300 -0.278 0.000 0.961 1663 R CA 0.212 56.185 56.100 -0.212 0.000 1.086 1663 R CB 0.211 30.366 30.300 -0.242 0.000 1.037 1663 R HN 0.125 nan 8.270 nan 0.000 0.493 1664 M N -1.284 118.157 119.600 -0.266 0.000 2.139 1664 M HA 0.134 4.614 4.480 -0.000 0.000 0.343 1664 M C 1.155 177.399 176.300 -0.092 0.000 0.886 1664 M CA 0.637 55.779 55.300 -0.263 0.000 1.134 1664 M CB 0.862 33.143 32.600 -0.532 0.000 2.064 1664 M HN -0.201 nan 8.290 nan 0.000 0.699 1665 E N 1.316 121.482 120.200 -0.057 0.000 2.208 1665 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 1665 E C 1.353 177.948 176.600 -0.008 0.000 0.988 1665 E CA 1.071 57.468 56.400 -0.006 0.000 0.828 1665 E CB 0.063 29.766 29.700 0.006 0.000 0.763 1665 E HN 0.690 nan 8.360 nan 0.000 0.478 1666 K N -0.390 119.993 120.400 -0.028 0.000 2.365 1666 K HA 0.120 4.440 4.320 -0.000 0.000 0.197 1666 K C 1.786 178.373 176.600 -0.022 0.000 1.042 1666 K CA 0.213 56.487 56.287 -0.023 0.000 0.987 1666 K CB 0.265 32.746 32.500 -0.032 0.000 0.779 1666 K HN -0.170 nan 8.250 nan 0.000 0.484 1667 R N 0.740 121.220 120.500 -0.033 0.000 2.246 1667 R HA 0.128 4.468 4.340 -0.000 0.000 0.199 1667 R C 0.337 176.643 176.300 0.009 0.000 0.984 1667 R CA 0.525 56.607 56.100 -0.031 0.000 1.015 1667 R CB 0.566 30.822 30.300 -0.074 0.000 0.930 1667 R HN 0.201 nan 8.270 nan 0.000 0.475 1668 T N -1.446 113.130 114.554 0.037 0.000 2.864 1668 T HA 0.325 4.675 4.350 -0.000 0.000 0.299 1668 T C 0.764 175.503 174.700 0.065 0.000 1.166 1668 T CA -0.665 61.483 62.100 0.081 0.000 1.007 1668 T CB 1.960 70.931 68.868 0.172 0.000 1.219 1668 T HN -0.054 nan 8.240 nan 0.000 0.506 1669 R N 0.413 120.954 120.500 0.068 0.000 2.094 1669 R HA 0.099 4.439 4.340 -0.000 0.000 0.239 1669 R C 0.530 176.858 176.300 0.046 0.000 1.137 1669 R CA 1.554 57.683 56.100 0.048 0.000 0.943 1669 R CB 0.076 30.403 30.300 0.045 0.000 0.850 1669 R HN 0.412 nan 8.270 nan 0.000 0.433 1670 R N -1.222 119.311 120.500 0.054 0.000 2.664 1670 R HA 0.352 4.692 4.340 -0.000 0.000 0.266 1670 R C -1.612 174.723 176.300 0.059 0.000 1.046 1670 R CA -0.691 55.440 56.100 0.051 0.000 0.885 1670 R CB 1.750 32.072 30.300 0.037 0.000 1.254 1670 R HN -0.062 nan 8.270 nan 0.000 0.465 1671 I N 2.342 122.959 120.570 0.079 0.000 2.406 1671 I HA 0.457 4.627 4.170 -0.000 0.000 0.290 1671 I C -0.147 176.019 176.117 0.081 0.000 0.999 1671 I CA -0.710 60.655 61.300 0.108 0.000 1.124 1671 I CB 1.539 39.670 38.000 0.219 0.000 1.289 1671 I HN 0.415 nan 8.210 nan 0.000 0.441 1672 R N 6.340 126.873 120.500 0.055 0.000 2.604 1672 R HA 0.674 5.014 4.340 -0.000 0.000 0.287 1672 R C -0.728 175.606 176.300 0.056 0.000 0.970 1672 R CA -0.808 55.319 56.100 0.046 0.000 0.946 1672 R CB 2.420 32.735 30.300 0.025 0.000 1.127 1672 R HN 0.511 nan 8.270 nan 0.000 0.473 1673 I N 4.149 124.744 120.570 0.042 0.000 2.466 1673 I HA 0.139 4.309 4.170 -0.000 0.000 0.279 1673 I C 1.132 177.254 176.117 0.008 0.000 1.033 1673 I CA -0.111 61.209 61.300 0.032 0.000 1.123 1673 I CB 1.354 39.370 38.000 0.027 0.000 1.237 1673 I HN 0.419 nan 8.210 nan 0.000 0.460 1674 L N 4.354 125.564 121.223 -0.021 0.000 2.168 1674 L HA 0.303 4.643 4.340 -0.000 0.000 0.203 1674 L C 1.656 178.506 176.870 -0.033 0.000 1.078 1674 L CA 0.908 55.722 54.840 -0.044 0.000 0.780 1674 L CB -0.172 41.813 42.059 -0.123 0.000 0.939 1674 L HN 0.917 nan 8.230 nan 0.000 0.451 1675 G N -0.305 108.472 108.800 -0.038 0.000 2.168 1675 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.197 1675 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.197 1675 G C 0.283 175.178 174.900 -0.007 0.000 0.997 1675 G CA 0.075 45.172 45.100 -0.005 0.000 0.658 1675 G HN 0.240 nan 8.290 nan 0.000 0.513 1676 S N -0.248 115.400 115.700 -0.087 0.000 2.571 1676 S HA 0.710 5.180 4.470 -0.000 0.000 0.238 1676 S C 1.341 175.818 174.600 -0.205 0.000 1.153 1676 S CA 0.734 58.869 58.200 -0.109 0.000 1.141 1676 S CB 0.562 63.674 63.200 -0.147 0.000 1.133 1676 S HN 1.666 nan 8.310 nan 0.000 0.464 1677 A N 4.484 127.263 122.820 -0.069 0.000 1.884 1677 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 1677 A C 2.375 179.832 177.584 -0.212 0.000 1.197 1677 A CA 2.380 54.407 52.037 -0.015 0.000 0.637 1677 A CB -1.348 17.756 19.000 0.173 0.000 0.827 1677 A HN 1.351 nan 8.150 nan 0.000 0.450 1678 A N -1.125 121.598 122.820 -0.161 0.000 1.908 1678 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 1678 A C 2.166 179.556 177.584 -0.324 0.000 1.181 1678 A CA 1.841 53.760 52.037 -0.197 0.000 0.627 1678 A CB -0.567 18.368 19.000 -0.109 0.000 0.818 1678 A HN 0.676 nan 8.150 nan 0.000 0.445 1679 L N 0.077 121.059 121.223 -0.402 0.000 2.109 1679 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 1679 L C 1.934 178.310 176.870 -0.823 0.000 1.086 1679 L CA 2.138 56.626 54.840 -0.587 0.000 0.760 1679 L CB -0.771 40.907 42.059 -0.635 0.000 0.910 1679 L HN 0.537 nan 8.230 nan 0.000 0.437 1680 N N -1.225 116.971 118.700 -0.840 0.000 2.188 1680 N HA -0.165 4.575 4.740 -0.000 0.000 0.184 1680 N C 1.809 176.773 175.510 -0.910 0.000 1.018 1680 N CA 0.987 53.422 53.050 -1.025 0.000 0.858 1680 N CB -0.045 37.526 38.487 -1.527 0.000 0.989 1680 N HN 0.474 nan 8.380 nan 0.000 0.426 1681 A N 0.538 122.846 122.820 -0.854 0.000 1.897 1681 A HA 0.091 4.411 4.320 -0.000 0.000 0.215 1681 A C 2.222 179.612 177.584 -0.323 0.000 1.181 1681 A CA 1.410 53.049 52.037 -0.662 0.000 0.620 1681 A CB -0.792 17.613 19.000 -0.991 0.000 0.821 1681 A HN 0.397 nan 8.150 nan 0.000 0.443 1682 A N -1.568 121.089 122.820 -0.271 0.000 2.019 1682 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 1682 A C 2.004 179.622 177.584 0.057 0.000 1.164 1682 A CA 1.372 53.342 52.037 -0.110 0.000 0.644 1682 A CB -0.686 18.222 19.000 -0.153 0.000 0.805 1682 A HN 0.535 nan 8.150 nan 0.000 0.449 1683 Y N 0.073 120.248 120.300 -0.209 0.000 2.293 1683 Y HA -0.142 4.408 4.550 0.000 0.000 0.291 1683 Y C 2.776 178.640 175.900 -0.060 0.000 1.137 1683 Y CA 0.823 58.842 58.100 -0.135 0.000 1.202 1683 Y CB -0.890 37.465 38.460 -0.175 0.000 0.990 1683 Y HN 0.284 nan 8.280 nan 0.000 0.537 1684 V N -2.228 117.753 119.914 0.112 0.000 2.358 1684 V HA -0.073 4.047 4.120 -0.000 0.000 0.246 1684 V C 2.340 178.505 176.094 0.118 0.000 1.047 1684 V CA 2.047 64.431 62.300 0.140 0.000 1.035 1684 V CB -1.449 30.516 31.823 0.237 0.000 0.658 1684 V HN 0.263 nan 8.190 nan 0.000 0.452 1685 G N 0.005 108.865 108.800 0.099 0.000 2.422 1685 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.218 1685 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.218 1685 G C 1.643 176.574 174.900 0.052 0.000 1.146 1685 G CA 1.037 46.183 45.100 0.076 0.000 0.769 1685 G HN 0.957 nan 8.290 nan 0.000 0.547 1686 A N -0.322 122.530 122.820 0.053 0.000 2.119 1686 A HA 0.428 4.748 4.320 -0.000 0.000 0.216 1686 A C 2.146 179.739 177.584 0.015 0.000 1.152 1686 A CA 1.428 53.500 52.037 0.058 0.000 0.708 1686 A CB -0.474 18.575 19.000 0.080 0.000 0.805 1686 A HN 1.617 nan 8.150 nan 0.000 0.460 1687 G N -0.891 107.919 108.800 0.017 0.000 2.143 1687 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.248 1687 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.248 1687 G C 0.900 175.784 174.900 -0.028 0.000 0.991 1687 G CA 0.637 45.744 45.100 0.012 0.000 0.689 1687 G HN 0.561 nan 8.290 nan 0.000 0.522 1688 R N -1.215 119.231 120.500 -0.089 0.000 2.240 1688 R HA 0.408 4.748 4.340 -0.000 0.000 0.203 1688 R C 0.716 176.968 176.300 -0.079 0.000 1.011 1688 R CA 0.917 56.919 56.100 -0.163 0.000 1.007 1688 R CB 0.525 30.556 30.300 -0.448 0.000 0.911 1688 R HN 0.342 nan 8.270 nan 0.000 0.468 1689 V N 0.249 120.155 119.914 -0.013 0.000 3.007 1689 V HA 0.081 4.201 4.120 -0.000 0.000 0.311 1689 V C -0.495 175.637 176.094 0.064 0.000 1.120 1689 V CA -0.655 61.651 62.300 0.011 0.000 0.980 1689 V CB 2.457 34.294 31.823 0.022 0.000 1.033 1689 V HN 0.031 nan 8.190 nan 0.000 0.429 1690 D N 2.357 122.799 120.400 0.070 0.000 2.305 1690 D HA 0.142 4.782 4.640 -0.000 0.000 0.206 1690 D C -0.166 176.400 176.300 0.445 0.000 0.974 1690 D CA 1.265 55.410 54.000 0.242 0.000 0.871 1690 D CB 0.579 41.568 40.800 0.315 0.000 0.947 1690 D HN 0.430 nan 8.370 nan 0.000 0.516 1691 F N -1.200 118.893 119.950 0.238 0.000 2.719 1691 F HA 0.561 5.088 4.527 -0.000 0.000 0.309 1691 F C -1.734 174.312 175.800 0.411 0.000 1.138 1691 F CA -1.892 56.293 58.000 0.310 0.000 0.943 1691 F CB 1.148 40.299 39.000 0.251 0.000 1.304 1691 F HN -0.238 nan 8.300 nan 0.000 0.445 1692 F N 3.023 123.222 119.950 0.416 0.000 2.588 1692 F HA 0.690 5.217 4.527 -0.000 0.000 0.318 1692 F C -1.674 174.407 175.800 0.467 0.000 1.155 1692 F CA -1.126 57.047 58.000 0.287 0.000 0.967 1692 F CB 1.800 40.877 39.000 0.130 0.000 1.236 1692 F HN 0.754 nan 8.300 nan 0.000 0.455 1693 V N 2.752 122.541 119.914 -0.208 0.000 2.628 1693 V HA 0.833 4.953 4.120 -0.000 0.000 0.306 1693 V C -1.047 174.802 176.094 -0.408 0.000 1.045 1693 V CA -0.265 61.932 62.300 -0.172 0.000 0.905 1693 V CB 1.435 33.265 31.823 0.011 0.000 0.997 1693 V HN 0.878 nan 8.190 nan 0.000 0.436 1694 T N 5.610 120.069 114.554 -0.159 0.000 2.879 1694 T HA 0.517 4.867 4.350 -0.000 0.000 0.290 1694 T C -1.748 172.889 174.700 -0.104 0.000 0.993 1694 T CA -0.192 61.849 62.100 -0.099 0.000 0.975 1694 T CB 0.984 69.817 68.868 -0.059 0.000 0.981 1694 T HN 0.966 nan 8.240 nan 0.000 0.439 1695 W N 6.340 127.128 121.300 -0.852 0.000 2.529 1695 W HA 0.704 5.364 4.660 0.000 0.000 0.321 1695 W C -0.500 175.623 176.519 -0.659 0.000 1.047 1695 W CA -1.026 55.791 57.345 -0.880 0.000 1.216 1695 W CB 0.426 29.064 29.460 -1.370 0.000 1.357 1695 W HN 0.913 nan 8.180 nan 0.000 0.489 1696 R N 4.146 124.228 120.500 -0.696 0.000 1.654 1696 R HA -0.180 4.160 4.340 -0.000 0.000 0.396 1696 R C -1.422 174.702 176.300 -0.294 0.000 1.258 1696 R CA 0.514 56.264 56.100 -0.584 0.000 1.036 1696 R CB -1.789 28.088 30.300 -0.704 0.000 3.126 1696 R HN 0.540 nan 8.270 nan 0.000 0.490 1697 I N 1.737 122.167 120.570 -0.232 0.000 3.066 1697 I HA 0.417 4.587 4.170 -0.000 0.000 0.307 1697 I C -1.225 174.718 176.117 -0.290 0.000 1.366 1697 I CA -0.739 60.443 61.300 -0.196 0.000 0.972 1697 I CB 2.423 40.344 38.000 -0.132 0.000 1.307 1697 I HN 0.520 nan 8.210 nan 0.000 0.470 1698 N N 4.763 123.171 118.700 -0.487 0.000 2.292 1698 N HA 0.488 5.228 4.740 -0.000 0.000 0.303 1698 N C -2.290 172.746 175.510 -0.790 0.000 1.140 1698 N CA -1.425 51.133 53.050 -0.821 0.000 0.788 1698 N CB 2.354 39.849 38.487 -1.652 0.000 1.361 1698 N HN 0.326 nan 8.380 nan 0.000 0.489 1699 P HA -0.156 nan 4.420 nan 0.000 0.217 1699 P C 0.954 178.111 177.300 -0.238 0.000 1.148 1699 P CA 1.789 64.667 63.100 -0.370 0.000 0.834 1699 P CB -0.063 31.500 31.700 -0.227 0.000 0.783 1700 W N 0.158 121.451 121.300 -0.012 0.000 2.905 1700 W HA 0.146 4.806 4.660 -0.000 0.000 0.251 1700 W C 1.207 177.713 176.519 -0.022 0.000 1.305 1700 W CA 0.281 57.629 57.345 0.006 0.000 1.465 1700 W CB -1.477 28.020 29.460 0.062 0.000 1.122 1700 W HN -0.174 nan 8.180 nan 0.000 0.659 1701 D N 1.832 122.157 120.400 -0.126 0.000 2.137 1701 D HA -0.048 4.592 4.640 -0.000 0.000 0.202 1701 D C 1.339 177.594 176.300 -0.074 0.000 0.970 1701 D CA 1.659 55.642 54.000 -0.028 0.000 0.837 1701 D CB 0.052 40.767 40.800 -0.142 0.000 0.981 1701 D HN 0.412 nan 8.370 nan 0.000 0.475 1702 I N -2.970 117.484 120.570 -0.192 0.000 3.817 1702 I HA 0.421 4.591 4.170 -0.000 0.000 0.322 1702 I C 1.231 177.269 176.117 -0.132 0.000 1.512 1702 I CA -0.898 60.300 61.300 -0.170 0.000 1.066 1702 I CB 0.032 37.894 38.000 -0.230 0.000 1.336 1702 I HN -0.240 nan 8.210 nan 0.000 0.539 1703 A N 1.440 124.191 122.820 -0.114 0.000 1.873 1703 A HA 0.246 4.566 4.320 -0.000 0.000 0.215 1703 A C 2.468 180.040 177.584 -0.020 0.000 1.186 1703 A CA 1.807 53.789 52.037 -0.093 0.000 0.616 1703 A CB -0.756 18.186 19.000 -0.097 0.000 0.823 1703 A HN 0.543 nan 8.150 nan 0.000 0.442 1704 A N -0.538 122.284 122.820 0.003 0.000 1.930 1704 A HA 0.194 4.514 4.320 -0.000 0.000 0.217 1704 A C 2.368 179.967 177.584 0.026 0.000 1.175 1704 A CA 1.744 53.796 52.037 0.026 0.000 0.627 1704 A CB -1.272 17.748 19.000 0.033 0.000 0.815 1704 A HN 0.687 nan 8.150 nan 0.000 0.443 1705 G N -0.029 108.770 108.800 -0.002 0.000 2.422 1705 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.218 1705 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.218 1705 G C 1.530 176.534 174.900 0.173 0.000 1.146 1705 G CA 1.083 46.170 45.100 -0.022 0.000 0.769 1705 G HN 0.488 nan 8.290 nan 0.000 0.547 1706 L N 0.519 121.900 121.223 0.263 0.000 1.956 1706 L HA -0.076 4.264 4.340 -0.000 0.000 0.216 1706 L C 2.636 179.619 176.870 0.188 0.000 1.073 1706 L CA 2.042 57.066 54.840 0.307 0.000 0.762 1706 L CB -0.318 41.837 42.059 0.161 0.000 0.889 1706 L HN 0.269 nan 8.230 nan 0.000 0.433 1707 I N -0.835 119.800 120.570 0.108 0.000 2.286 1707 I HA -0.317 3.853 4.170 -0.000 0.000 0.248 1707 I C 2.299 178.472 176.117 0.093 0.000 1.115 1707 I CA 1.574 62.922 61.300 0.082 0.000 1.392 1707 I CB -0.027 38.006 38.000 0.055 0.000 1.065 1707 I HN 0.362 nan 8.210 nan 0.000 0.418 1708 I N -0.013 120.612 120.570 0.092 0.000 2.179 1708 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 1708 I C 2.420 178.590 176.117 0.088 0.000 1.088 1708 I CA 1.298 62.643 61.300 0.075 0.000 1.357 1708 I CB -0.414 37.610 38.000 0.040 0.000 1.051 1708 I HN 0.080 nan 8.210 nan 0.000 0.409 1709 V N 0.753 120.750 119.914 0.138 0.000 2.490 1709 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 1709 V C 2.373 178.552 176.094 0.142 0.000 1.061 1709 V CA 1.743 64.149 62.300 0.177 0.000 1.064 1709 V CB -0.733 31.294 31.823 0.340 0.000 0.670 1709 V HN 0.387 nan 8.190 nan 0.000 0.461 1710 K N -0.317 120.158 120.400 0.126 0.000 2.031 1710 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 1710 K C 2.157 178.793 176.600 0.060 0.000 1.049 1710 K CA 1.070 57.407 56.287 0.083 0.000 0.939 1710 K CB -0.172 32.369 32.500 0.069 0.000 0.717 1710 K HN 0.331 nan 8.250 nan 0.000 0.438 1711 E N 0.400 120.637 120.200 0.061 0.000 2.333 1711 E HA -0.124 4.226 4.350 -0.000 0.000 0.198 1711 E C 1.335 177.951 176.600 0.027 0.000 1.007 1711 E CA 0.638 57.067 56.400 0.048 0.000 0.845 1711 E CB 0.044 29.785 29.700 0.067 0.000 0.766 1711 E HN 0.275 nan 8.360 nan 0.000 0.507 1712 A N -0.194 122.647 122.820 0.036 0.000 2.307 1712 A HA 0.376 4.696 4.320 -0.000 0.000 0.218 1712 A C 1.556 179.158 177.584 0.029 0.000 1.228 1712 A CA 0.738 52.787 52.037 0.020 0.000 0.857 1712 A CB -0.081 18.941 19.000 0.035 0.000 0.897 1712 A HN 0.216 nan 8.150 nan 0.000 0.495 1713 G N -1.848 106.972 108.800 0.034 0.000 2.143 1713 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.249 1713 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.249 1713 G C 0.702 175.631 174.900 0.048 0.000 0.981 1713 G CA 0.423 45.542 45.100 0.032 0.000 0.665 1713 G HN 1.334 nan 8.290 nan 0.000 0.528 1714 G N -0.605 108.240 108.800 0.074 0.000 2.671 1714 G HA2 0.894 4.854 3.960 -0.000 0.000 0.275 1714 G HA3 0.894 4.854 3.960 -0.000 0.000 0.275 1714 G C 0.045 174.988 174.900 0.071 0.000 1.368 1714 G CA -0.413 44.747 45.100 0.099 0.000 1.044 1714 G HN 1.159 nan 8.290 nan 0.000 0.543 1715 M N -1.058 118.584 119.600 0.069 0.000 2.457 1715 M HA 0.721 5.201 4.480 -0.000 0.000 0.300 1715 M C -1.756 174.542 176.300 -0.003 0.000 1.141 1715 M CA -0.952 54.319 55.300 -0.049 0.000 0.901 1715 M CB 2.482 34.926 32.600 -0.261 0.000 1.687 1715 M HN 0.158 nan 8.290 nan 0.000 0.449 1716 V N 2.021 121.903 119.914 -0.054 0.000 2.409 1716 V HA 0.692 4.812 4.120 -0.000 0.000 0.290 1716 V C -0.110 175.908 176.094 -0.128 0.000 1.017 1716 V CA -0.233 62.001 62.300 -0.111 0.000 0.841 1716 V CB 1.398 33.138 31.823 -0.139 0.000 1.003 1716 V HN 1.076 nan 8.190 nan 0.000 0.426 1717 T N 0.079 114.592 114.554 -0.067 0.000 2.901 1717 T HA 0.666 5.016 4.350 -0.000 0.000 0.293 1717 T C -0.608 174.002 174.700 -0.151 0.000 1.084 1717 T CA -0.837 61.214 62.100 -0.081 0.000 1.008 1717 T CB 2.184 71.082 68.868 0.050 0.000 1.170 1717 T HN 0.614 nan 8.240 nan 0.000 0.509 1718 D N 0.324 120.582 120.400 -0.237 0.000 2.380 1718 D HA 0.192 4.832 4.640 -0.000 0.000 0.254 1718 D C 1.079 177.389 176.300 0.016 0.000 1.288 1718 D CA -0.959 52.846 54.000 -0.325 0.000 1.008 1718 D CB 0.008 40.590 40.800 -0.362 0.000 1.099 1718 D HN 0.558 nan 8.370 nan 0.000 0.537 1719 F N -0.869 118.996 119.950 -0.142 0.000 2.269 1719 F HA -0.184 4.343 4.527 -0.000 0.000 0.301 1719 F C 2.503 178.275 175.800 -0.047 0.000 1.082 1719 F CA 0.800 58.758 58.000 -0.070 0.000 1.360 1719 F CB -0.075 38.895 39.000 -0.051 0.000 1.041 1719 F HN 0.336 nan 8.300 nan 0.000 0.512 1720 S N -0.262 115.512 115.700 0.123 0.000 2.603 1720 S HA 0.173 4.643 4.470 -0.000 0.000 0.229 1720 S C 1.740 176.365 174.600 0.042 0.000 0.972 1720 S CA 0.663 58.898 58.200 0.058 0.000 0.935 1720 S CB 0.025 63.232 63.200 0.012 0.000 0.769 1720 S HN 0.589 nan 8.310 nan 0.000 0.536 1721 G N 0.854 109.692 108.800 0.063 0.000 2.241 1721 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 1721 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 1721 G C 0.074 174.984 174.900 0.015 0.000 0.998 1721 G CA 0.212 45.356 45.100 0.074 0.000 0.621 1721 G HN 0.633 nan 8.290 nan 0.000 0.519 1722 K N 1.433 121.821 120.400 -0.020 0.000 2.382 1722 K HA 0.345 4.665 4.320 -0.000 0.000 0.275 1722 K C 0.728 177.279 176.600 -0.081 0.000 1.009 1722 K CA -0.217 56.040 56.287 -0.051 0.000 0.970 1722 K CB 0.258 32.722 32.500 -0.060 0.000 0.934 1722 K HN 0.415 nan 8.250 nan 0.000 0.479 1723 E N 0.561 120.712 120.200 -0.081 0.000 2.516 1723 E HA -0.013 4.337 4.350 -0.000 0.000 0.270 1723 E C -0.585 175.935 176.600 -0.134 0.000 1.130 1723 E CA 0.542 56.884 56.400 -0.097 0.000 1.023 1723 E CB 0.348 30.005 29.700 -0.072 0.000 1.004 1723 E HN 0.566 nan 8.360 nan 0.000 0.463 1724 A N 1.492 124.228 122.820 -0.140 0.000 2.413 1724 A HA 0.645 4.965 4.320 -0.000 0.000 0.307 1724 A C -0.717 176.837 177.584 -0.051 0.000 1.087 1724 A CA -0.619 51.300 52.037 -0.197 0.000 0.750 1724 A CB 0.937 19.713 19.000 -0.373 0.000 1.296 1724 A HN 0.768 nan 8.150 nan 0.000 0.423 1725 N N -0.573 118.120 118.700 -0.012 0.000 2.629 1725 N HA 0.578 5.318 4.740 -0.000 0.000 0.279 1725 N C 0.861 176.416 175.510 0.074 0.000 1.344 1725 N CA -0.371 52.701 53.050 0.037 0.000 0.789 1725 N CB 1.622 40.117 38.487 0.014 0.000 1.508 1725 N HN 0.581 nan 8.380 nan 0.000 0.516 1726 A N -0.129 122.612 122.820 -0.131 0.000 2.009 1726 A HA -0.091 4.229 4.320 -0.000 0.000 0.222 1726 A C 0.026 177.310 177.584 -0.500 0.000 1.175 1726 A CA 1.209 52.996 52.037 -0.416 0.000 0.651 1726 A CB -0.975 17.562 19.000 -0.771 0.000 0.815 1726 A HN 0.520 nan 8.150 nan 0.000 0.459 1727 F N 0.069 120.060 119.950 0.069 0.000 2.307 1727 F HA 0.596 5.123 4.527 0.000 0.000 0.369 1727 F C 0.285 176.082 175.800 -0.005 0.000 1.076 1727 F CA -0.309 57.704 58.000 0.021 0.000 1.149 1727 F CB 0.897 39.882 39.000 -0.025 0.000 1.410 1727 F HN -0.084 nan 8.300 nan 0.000 0.481 1728 S N 1.166 116.969 115.700 0.172 0.000 2.587 1728 S HA 0.380 4.850 4.470 -0.000 0.000 0.269 1728 S C 0.103 174.721 174.600 0.029 0.000 1.154 1728 S CA -1.094 57.047 58.200 -0.098 0.000 0.824 1728 S CB 2.373 65.245 63.200 -0.546 0.000 1.118 1728 S HN 0.532 nan 8.310 nan 0.000 0.462 1729 K N 0.139 120.429 120.400 -0.183 0.000 2.402 1729 K HA 0.317 4.637 4.320 -0.000 0.000 0.204 1729 K C -0.578 175.848 176.600 -0.291 0.000 1.056 1729 K CA 0.132 56.341 56.287 -0.130 0.000 1.069 1729 K CB 0.271 32.649 32.500 -0.202 0.000 0.888 1729 K HN 0.486 nan 8.250 nan 0.000 0.546 1730 N N 0.035 118.375 118.700 -0.601 0.000 2.346 1730 N HA 0.372 5.112 4.740 -0.000 0.000 0.289 1730 N C -1.602 173.394 175.510 -0.857 0.000 1.027 1730 N CA -0.535 51.878 53.050 -1.062 0.000 0.864 1730 N CB 1.292 38.801 38.487 -1.630 0.000 1.370 1730 N HN -0.155 nan 8.380 nan 0.000 0.481 1731 F N 1.761 121.482 119.950 -0.381 0.000 2.578 1731 F HA 0.570 5.096 4.527 -0.000 0.000 0.311 1731 F C -0.437 175.358 175.800 -0.007 0.000 1.094 1731 F CA -0.734 57.135 58.000 -0.219 0.000 0.923 1731 F CB 1.912 40.759 39.000 -0.254 0.000 1.230 1731 F HN 0.153 nan 8.300 nan 0.000 0.450 1732 I N 3.612 124.221 120.570 0.064 0.000 2.497 1732 I HA 0.316 4.486 4.170 -0.000 0.000 0.284 1732 I C -1.359 174.852 176.117 0.157 0.000 1.060 1732 I CA -0.417 60.988 61.300 0.175 0.000 1.071 1732 I CB 1.365 39.433 38.000 0.114 0.000 1.216 1732 I HN 0.336 nan 8.210 nan 0.000 0.442 1733 F N 4.309 124.471 119.950 0.353 0.000 2.422 1733 F HA 0.703 5.230 4.527 -0.000 0.000 0.333 1733 F C 0.696 176.745 175.800 0.415 0.000 1.095 1733 F CA -0.369 57.861 58.000 0.384 0.000 1.038 1733 F CB 1.933 41.162 39.000 0.382 0.000 1.156 1733 F HN 0.467 nan 8.300 nan 0.000 0.483 1734 S N 0.253 116.288 115.700 0.558 0.000 2.636 1734 S HA 0.278 4.748 4.470 -0.000 0.000 0.268 1734 S C -0.291 174.512 174.600 0.338 0.000 1.159 1734 S CA -0.909 57.579 58.200 0.480 0.000 0.815 1734 S CB 1.199 64.704 63.200 0.509 0.000 1.130 1734 S HN 0.553 nan 8.310 nan 0.000 0.471 1735 N N 0.317 119.185 118.700 0.279 0.000 2.461 1735 N HA 0.216 4.956 4.740 -0.000 0.000 0.188 1735 N C 1.350 176.949 175.510 0.148 0.000 1.134 1735 N CA 0.805 53.967 53.050 0.188 0.000 0.878 1735 N CB -0.638 37.946 38.487 0.162 0.000 0.972 1735 N HN 1.845 nan 8.380 nan 0.000 0.456 1736 G N -0.275 108.631 108.800 0.178 0.000 2.155 1736 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.257 1736 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.257 1736 G C 0.335 175.294 174.900 0.098 0.000 0.983 1736 G CA 0.678 45.845 45.100 0.113 0.000 0.676 1736 G HN 0.359 nan 8.290 nan 0.000 0.528 1737 L N -1.374 119.916 121.223 0.110 0.000 2.701 1737 L HA 0.578 4.918 4.340 -0.000 0.000 0.238 1737 L C 1.684 178.593 176.870 0.064 0.000 1.106 1737 L CA 0.727 55.612 54.840 0.076 0.000 0.898 1737 L CB 0.724 42.824 42.059 0.069 0.000 1.188 1737 L HN 0.237 nan 8.230 nan 0.000 0.508 1738 I N -2.662 117.953 120.570 0.075 0.000 4.390 1738 I HA 0.112 4.282 4.170 -0.000 0.000 0.334 1738 I C 1.838 177.932 176.117 -0.037 0.000 1.379 1738 I CA 0.250 61.550 61.300 -0.001 0.000 1.197 1738 I CB 0.067 38.053 38.000 -0.023 0.000 1.396 1738 I HN 0.103 nan 8.210 nan 0.000 0.511 1739 H N 1.066 120.120 119.070 -0.026 0.000 2.265 1739 H HA -0.218 4.338 4.556 -0.000 0.000 0.293 1739 H C 1.545 176.842 175.328 -0.051 0.000 1.089 1739 H CA 2.788 58.824 56.048 -0.021 0.000 1.244 1739 H CB 0.238 30.010 29.762 0.015 0.000 1.355 1739 H HN 0.291 nan 8.280 nan 0.000 0.485 1740 D N 0.195 120.639 120.400 0.074 0.000 2.126 1740 D HA -0.174 4.466 4.640 -0.000 0.000 0.190 1740 D C 2.142 178.393 176.300 -0.081 0.000 1.001 1740 D CA 1.782 55.788 54.000 0.010 0.000 0.841 1740 D CB -0.450 40.359 40.800 0.015 0.000 0.949 1740 D HN 0.543 nan 8.370 nan 0.000 0.446 1741 E N 0.310 120.442 120.200 -0.114 0.000 2.058 1741 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 1741 E C 2.375 178.838 176.600 -0.228 0.000 0.997 1741 E CA 0.473 56.778 56.400 -0.159 0.000 0.801 1741 E CB -0.395 29.203 29.700 -0.169 0.000 0.746 1741 E HN 0.104 nan 8.360 nan 0.000 0.450 1742 V N 0.469 120.195 119.914 -0.314 0.000 2.287 1742 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 1742 V C 2.257 178.214 176.094 -0.227 0.000 1.053 1742 V CA 1.591 63.682 62.300 -0.347 0.000 1.027 1742 V CB -0.558 30.992 31.823 -0.454 0.000 0.646 1742 V HN 0.151 nan 8.190 nan 0.000 0.447 1743 V N 0.031 119.806 119.914 -0.232 0.000 2.469 1743 V HA -0.332 3.788 4.120 -0.000 0.000 0.251 1743 V C 2.373 178.393 176.094 -0.124 0.000 1.064 1743 V CA 2.386 64.596 62.300 -0.150 0.000 1.066 1743 V CB -0.767 31.011 31.823 -0.075 0.000 0.667 1743 V HN 0.602 nan 8.190 nan 0.000 0.461 1744 K N 0.273 120.595 120.400 -0.129 0.000 1.965 1744 K HA -0.184 4.136 4.320 -0.000 0.000 0.218 1744 K C 2.108 178.622 176.600 -0.143 0.000 1.048 1744 K CA 2.268 58.485 56.287 -0.117 0.000 0.960 1744 K CB -0.425 32.004 32.500 -0.119 0.000 0.732 1744 K HN 0.261 nan 8.250 nan 0.000 0.444 1745 V N 1.343 121.145 119.914 -0.187 0.000 2.278 1745 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 1745 V C 2.513 178.483 176.094 -0.206 0.000 1.062 1745 V CA 2.027 64.187 62.300 -0.234 0.000 1.038 1745 V CB -0.607 31.003 31.823 -0.357 0.000 0.646 1745 V HN 0.264 nan 8.190 nan 0.000 0.447 1746 V N 0.699 120.525 119.914 -0.146 0.000 2.231 1746 V HA -0.411 3.709 4.120 -0.000 0.000 0.250 1746 V C 2.157 178.144 176.094 -0.179 0.000 1.058 1746 V CA 2.862 65.079 62.300 -0.139 0.000 1.022 1746 V CB -1.148 30.478 31.823 -0.329 0.000 0.640 1746 V HN 0.660 nan 8.190 nan 0.000 0.445 1747 N N -0.418 118.191 118.700 -0.153 0.000 2.069 1747 N HA -0.224 4.516 4.740 -0.000 0.000 0.191 1747 N C 1.815 177.277 175.510 -0.080 0.000 1.031 1747 N CA 1.652 54.652 53.050 -0.083 0.000 0.852 1747 N CB -0.243 38.213 38.487 -0.052 0.000 1.018 1747 N HN 0.612 nan 8.380 nan 0.000 0.423 1748 E N 0.457 120.594 120.200 -0.106 0.000 2.070 1748 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 1748 E C 2.037 178.563 176.600 -0.123 0.000 1.004 1748 E CA 1.235 57.571 56.400 -0.107 0.000 0.805 1748 E CB -0.147 29.476 29.700 -0.128 0.000 0.744 1748 E HN 0.172 nan 8.360 nan 0.000 0.451 1749 V N 1.212 121.019 119.914 -0.178 0.000 2.469 1749 V HA -0.227 3.893 4.120 -0.000 0.000 0.251 1749 V C 2.328 178.334 176.094 -0.147 0.000 1.064 1749 V CA 1.429 63.589 62.300 -0.232 0.000 1.066 1749 V CB -0.391 31.144 31.823 -0.481 0.000 0.667 1749 V HN 0.151 nan 8.190 nan 0.000 0.461 1750 V N -0.029 119.838 119.914 -0.079 0.000 2.626 1750 V HA -0.188 3.932 4.120 -0.000 0.000 0.252 1750 V C 2.428 178.515 176.094 -0.012 0.000 1.067 1750 V CA 1.908 64.195 62.300 -0.020 0.000 1.081 1750 V CB -0.624 31.220 31.823 0.035 0.000 0.686 1750 V HN 0.598 nan 8.190 nan 0.000 0.468 1751 E N 0.710 120.892 120.200 -0.030 0.000 2.216 1751 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 1751 E C 2.018 178.605 176.600 -0.023 0.000 0.988 1751 E CA 0.772 57.160 56.400 -0.019 0.000 0.834 1751 E CB -0.137 29.546 29.700 -0.028 0.000 0.772 1751 E HN 0.536 nan 8.360 nan 0.000 0.479 1752 E N 0.145 120.318 120.200 -0.044 0.000 2.418 1752 E HA -0.053 4.297 4.350 -0.000 0.000 0.197 1752 E C 1.772 178.362 176.600 -0.017 0.000 1.026 1752 E CA 0.904 57.281 56.400 -0.039 0.000 0.862 1752 E CB -0.014 29.647 29.700 -0.066 0.000 0.799 1752 E HN 0.627 nan 8.360 nan 0.000 0.518 1753 I N -3.901 116.666 120.570 -0.006 0.000 4.274 1753 I HA 0.543 4.713 4.170 -0.000 0.000 0.246 1753 I C 0.946 177.093 176.117 0.050 0.000 1.052 1753 I CA -0.088 61.229 61.300 0.027 0.000 1.840 1753 I CB 0.272 38.292 38.000 0.033 0.000 1.576 1753 I HN -0.082 nan 8.210 nan 0.000 0.451 1754 G N -0.892 107.949 108.800 0.068 0.000 2.368 1754 G HA2 0.525 4.485 3.960 -0.000 0.000 0.293 1754 G HA3 0.525 4.485 3.960 -0.000 0.000 0.293 1754 G C -0.683 174.277 174.900 0.101 0.000 1.467 1754 G CA -0.060 45.087 45.100 0.077 0.000 0.804 1754 G HN 0.840 nan 8.290 nan 0.000 0.535 1755 G N -0.371 108.479 108.800 0.084 0.000 2.838 1755 G HA2 0.464 4.424 3.960 -0.000 0.000 0.118 1755 G HA3 0.464 4.424 3.960 -0.000 0.000 0.118 1755 G C -0.286 174.650 174.900 0.060 0.000 1.028 1755 G CA 0.811 45.966 45.100 0.091 0.000 1.360 1755 G HN 0.893 nan 8.290 nan 0.000 0.575 1756 K N 0.000 120.429 120.400 0.048 0.000 2.780 1756 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1756 K CA 0.000 56.306 56.287 0.032 0.000 0.838 1756 K CB 0.000 32.516 32.500 0.027 0.000 1.064 1756 K HN 0.000 nan 8.250 nan 0.000 0.543