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 3aep_1_D DATA FIRST_RESID 1505 DATA SEQUENCE DITTTLLHPK GDHVLHSHAY PIFQTSTFCF DSTQQGADLF MGKGEGHIYS DATA SEQUENCE RLGNPTVEQF EEMVCSIEGA AGSAAFGSGM GAISSSTLAF LQKGDHLIAG DATA SEQUENCE DTLYGCTVSL FTHWLPRFGI EVDLIDTSDV EKVKAAWKPN TKMVYLESPA DATA SEQUENCE NPTCKVSDIK GIAVVCHERG ARLVVDATFT SPCFLKPLEL GADIALHSVS DATA SEQUENCE KYINGHGDVI GGVSSAKTAE DIATIKFYRK DAGSLMAPMD AFLCARGMKT DATA SEQUENCE LPIRMQIHME NGLKVAKFLE QHEKIVKVNH PGLESFPGHD IAKKQMTGYG DATA SEQUENCE STFLFEMKSF EAAKKLMEHL KVCTLAVSLG CVDTLIEHPA SMTHAAVPEN DATA SEQUENCE IMRKQGITPE LVRISVGIEN VDDIIADLKQ ALEL 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 1505 D HA 0.000 nan 4.640 nan 0.000 0.175 1505 D C 0.000 176.304 176.300 0.006 0.000 2.045 1505 D CA 0.000 54.007 54.000 0.011 0.000 0.868 1505 D CB 0.000 40.809 40.800 0.015 0.000 0.688 1506 I N -1.616 118.950 120.570 -0.006 0.000 2.700 1506 I HA -0.148 4.023 4.170 0.002 0.000 0.261 1506 I C 1.345 177.457 176.117 -0.008 0.000 1.219 1506 I CA 1.147 62.437 61.300 -0.017 0.000 1.463 1506 I CB -1.308 36.666 38.000 -0.044 0.000 1.092 1506 I HN 0.373 nan 8.210 nan 0.000 0.452 1507 T N 1.332 115.888 114.554 0.003 0.000 2.746 1507 T HA -0.141 4.211 4.350 0.002 0.000 0.267 1507 T C 1.975 176.701 174.700 0.042 0.000 1.039 1507 T CA 2.309 64.417 62.100 0.014 0.000 1.142 1507 T CB -0.465 68.415 68.868 0.021 0.000 0.866 1507 T HN 0.449 nan 8.240 nan 0.000 0.444 1508 T N 1.953 116.548 114.554 0.068 0.000 2.708 1508 T HA -0.126 4.226 4.350 0.002 0.000 0.266 1508 T C 2.306 177.097 174.700 0.153 0.000 1.037 1508 T CA 1.717 63.901 62.100 0.141 0.000 1.146 1508 T CB -0.825 68.100 68.868 0.095 0.000 0.865 1508 T HN 0.407 nan 8.240 nan 0.000 0.435 1509 T N 2.578 117.175 114.554 0.071 0.000 2.720 1509 T HA -0.002 4.349 4.350 0.002 0.000 0.268 1509 T C 1.970 176.683 174.700 0.021 0.000 1.037 1509 T CA 0.992 63.119 62.100 0.045 0.000 1.144 1509 T CB -0.500 68.371 68.868 0.007 0.000 0.864 1509 T HN 0.266 nan 8.240 nan 0.000 0.444 1510 L N 0.204 121.425 121.223 -0.004 0.000 2.141 1510 L HA 0.066 4.407 4.340 0.002 0.000 0.209 1510 L C 2.248 179.080 176.870 -0.064 0.000 1.094 1510 L CA 0.861 55.678 54.840 -0.037 0.000 0.763 1510 L CB -0.454 41.581 42.059 -0.040 0.000 0.908 1510 L HN 0.254 nan 8.230 nan 0.000 0.437 1511 L N -1.298 119.878 121.223 -0.077 0.000 2.418 1511 L HA -0.024 4.318 4.340 0.002 0.000 0.218 1511 L C 0.702 177.279 176.870 -0.489 0.000 1.125 1511 L CA 0.361 55.057 54.840 -0.241 0.000 0.835 1511 L CB -0.102 41.816 42.059 -0.235 0.000 0.953 1511 L HN 0.335 nan 8.230 nan 0.000 0.454 1512 H N 0.167 119.237 119.070 0.000 0.000 2.471 1512 H HA 0.287 4.844 4.556 0.001 0.000 0.234 1512 H C -2.155 173.161 175.328 -0.021 0.000 1.388 1512 H CA -1.574 54.477 56.048 0.004 0.000 1.198 1512 H CB 0.179 29.952 29.762 0.018 0.000 1.714 1512 H HN 0.099 nan 8.280 nan 0.000 0.536 1513 P HA 0.011 nan 4.420 nan 0.000 0.272 1513 P C 0.400 177.681 177.300 -0.031 0.000 1.223 1513 P CA -0.492 62.591 63.100 -0.029 0.000 0.784 1513 P CB 1.483 33.139 31.700 -0.073 0.000 0.923 1514 K N 1.019 121.396 120.400 -0.039 0.000 2.494 1514 K HA 0.330 4.651 4.320 0.002 0.000 0.273 1514 K C 0.573 177.137 176.600 -0.061 0.000 0.970 1514 K CA 0.525 56.787 56.287 -0.042 0.000 0.963 1514 K CB -0.994 31.480 32.500 -0.042 0.000 0.913 1514 K HN 0.918 nan 8.250 nan 0.000 0.502 1515 G N 1.343 110.110 108.800 -0.054 0.000 2.498 1515 G HA2 -0.107 3.855 3.960 0.002 0.000 0.651 1515 G HA3 -0.107 3.855 3.960 0.002 0.000 0.651 1515 G C -1.657 173.195 174.900 -0.081 0.000 1.284 1515 G CA -0.456 44.616 45.100 -0.048 0.000 0.950 1515 G HN 0.707 nan 8.290 nan 0.000 0.511 1516 D N 0.158 120.535 120.400 -0.038 0.000 2.253 1516 D HA 0.508 5.150 4.640 0.002 0.000 0.249 1516 D C 0.432 176.681 176.300 -0.084 0.000 1.049 1516 D CA -0.075 53.886 54.000 -0.065 0.000 0.929 1516 D CB 0.713 41.512 40.800 -0.001 0.000 1.176 1516 D HN 0.458 nan 8.370 nan 0.000 0.437 1517 H N -0.794 118.292 119.070 0.027 0.000 2.707 1517 H HA 0.255 4.812 4.556 0.002 0.000 0.359 1517 H C -0.169 175.126 175.328 -0.055 0.000 1.113 1517 H CA -0.286 55.758 56.048 -0.006 0.000 1.422 1517 H CB 0.855 30.591 29.762 -0.043 0.000 1.443 1517 H HN -0.069 nan 8.280 nan 0.000 0.591 1518 V N 4.824 124.749 119.914 0.018 0.000 2.383 1518 V HA -0.002 4.119 4.120 0.002 0.000 0.275 1518 V C 0.725 176.827 176.094 0.013 0.000 1.036 1518 V CA -0.458 61.832 62.300 -0.017 0.000 0.889 1518 V CB 0.757 32.518 31.823 -0.104 0.000 0.985 1518 V HN 0.797 nan 8.190 nan 0.000 0.459 1519 L N 5.816 127.070 121.223 0.051 0.000 3.851 1519 L HA -0.294 4.047 4.340 0.002 0.000 0.438 1519 L C 0.992 177.984 176.870 0.202 0.000 1.171 1519 L CA 0.604 55.515 54.840 0.119 0.000 0.895 1519 L CB -1.698 40.399 42.059 0.064 0.000 1.800 1519 L HN 1.076 nan 8.230 nan 0.000 0.960 1520 H N -2.631 116.468 119.070 0.049 0.000 3.211 1520 H HA -0.172 4.385 4.556 0.002 0.000 0.240 1520 H C 1.075 176.384 175.328 -0.032 0.000 1.148 1520 H CA 1.083 57.138 56.048 0.012 0.000 1.160 1520 H CB -1.015 28.744 29.762 -0.006 0.000 1.232 1520 H HN 0.516 nan 8.280 nan 0.000 0.321 1521 S N -0.404 115.346 115.700 0.083 0.000 2.549 1521 S HA -0.031 4.441 4.470 0.002 0.000 0.283 1521 S C 1.566 176.213 174.600 0.077 0.000 1.320 1521 S CA 0.083 58.321 58.200 0.063 0.000 1.058 1521 S CB 0.688 63.900 63.200 0.020 0.000 0.882 1521 S HN 0.540 nan 8.310 nan 0.000 0.498 1522 H N 3.996 123.057 119.070 -0.015 0.000 2.284 1522 H HA 0.127 4.685 4.556 0.002 0.000 0.304 1522 H C 0.944 176.349 175.328 0.128 0.000 1.069 1522 H CA 1.181 57.227 56.048 -0.003 0.000 1.327 1522 H CB -0.367 29.386 29.762 -0.014 0.000 1.387 1522 H HN 0.724 nan 8.280 nan 0.000 0.498 1523 A N 0.689 123.566 122.820 0.094 0.000 2.388 1523 A HA 0.131 4.452 4.320 0.002 0.000 0.257 1523 A C -0.908 176.780 177.584 0.172 0.000 1.095 1523 A CA -0.274 51.827 52.037 0.106 0.000 0.791 1523 A CB -0.406 18.715 19.000 0.202 0.000 1.029 1523 A HN 0.551 nan 8.150 nan 0.000 0.489 1524 Y N 3.691 124.065 120.300 0.122 0.000 2.465 1524 Y HA 0.325 4.877 4.550 0.003 0.000 0.331 1524 Y C -1.793 174.225 175.900 0.196 0.000 1.102 1524 Y CA -1.159 57.039 58.100 0.163 0.000 1.358 1524 Y CB 0.390 38.934 38.460 0.140 0.000 1.213 1524 Y HN 0.522 nan 8.280 nan 0.000 0.525 1525 P HA 0.114 nan 4.420 nan 0.000 0.271 1525 P C -0.905 176.416 177.300 0.035 0.000 1.233 1525 P CA 0.073 63.090 63.100 -0.138 0.000 0.789 1525 P CB 0.651 32.074 31.700 -0.461 0.000 0.951 1526 I N 1.477 121.960 120.570 -0.145 0.000 2.297 1526 I HA 0.190 4.361 4.170 0.002 0.000 0.291 1526 I C 0.029 176.045 176.117 -0.167 0.000 1.033 1526 I CA -0.333 60.930 61.300 -0.062 0.000 1.253 1526 I CB -0.076 37.791 38.000 -0.222 0.000 1.396 1526 I HN 0.198 nan 8.210 nan 0.000 0.476 1527 F N 4.802 124.766 119.950 0.023 0.000 2.626 1527 F HA 0.151 4.679 4.527 0.002 0.000 0.353 1527 F C 1.094 176.861 175.800 -0.055 0.000 1.230 1527 F CA -0.394 57.598 58.000 -0.013 0.000 1.298 1527 F CB 0.085 39.121 39.000 0.060 0.000 1.670 1527 F HN 0.478 nan 8.300 nan 0.000 0.633 1528 Q N 2.454 122.240 119.800 -0.024 0.000 2.815 1528 Q HA 0.150 4.491 4.340 0.002 0.000 0.235 1528 Q C -0.266 175.684 176.000 -0.083 0.000 1.354 1528 Q CA 0.150 55.922 55.803 -0.051 0.000 0.953 1528 Q CB 0.145 28.828 28.738 -0.091 0.000 1.613 1528 Q HN 0.408 nan 8.270 nan 0.000 0.572 1529 T N -0.029 114.474 114.554 -0.085 0.000 2.916 1529 T HA 0.426 4.778 4.350 0.002 0.000 0.305 1529 T C 0.655 175.236 174.700 -0.198 0.000 1.119 1529 T CA 0.055 62.047 62.100 -0.180 0.000 1.008 1529 T CB 1.164 69.833 68.868 -0.332 0.000 1.129 1529 T HN 0.468 nan 8.240 nan 0.000 0.480 1530 S N 2.467 118.047 115.700 -0.201 0.000 2.371 1530 S HA 0.210 4.681 4.470 0.002 0.000 0.219 1530 S C 1.076 175.535 174.600 -0.235 0.000 1.040 1530 S CA 0.456 58.512 58.200 -0.239 0.000 0.958 1530 S CB -0.261 62.873 63.200 -0.111 0.000 0.860 1530 S HN 0.721 nan 8.310 nan 0.000 0.487 1531 T N 0.312 114.778 114.554 -0.146 0.000 2.927 1531 T HA 0.705 5.057 4.350 0.002 0.000 0.286 1531 T C -1.886 172.596 174.700 -0.364 0.000 1.040 1531 T CA -0.811 61.299 62.100 0.016 0.000 1.010 1531 T CB 0.854 69.811 68.868 0.149 0.000 1.177 1531 T HN 0.196 nan 8.240 nan 0.000 0.546 1532 F N 0.443 120.348 119.950 -0.075 0.000 2.576 1532 F HA 0.517 5.045 4.527 0.002 0.000 0.313 1532 F C 0.267 175.872 175.800 -0.325 0.000 1.078 1532 F CA -0.862 57.062 58.000 -0.128 0.000 0.921 1532 F CB 1.212 40.182 39.000 -0.049 0.000 1.232 1532 F HN 0.520 nan 8.300 nan 0.000 0.459 1533 C N 2.465 121.731 119.300 -0.056 0.000 2.605 1533 C HA 0.480 4.941 4.460 0.002 0.000 0.404 1533 C C -0.221 174.738 174.990 -0.053 0.000 1.284 1533 C CA -0.576 58.372 59.018 -0.117 0.000 2.199 1533 C CB -0.552 27.192 27.740 0.008 0.000 2.647 1533 C HN 0.412 nan 8.230 nan 0.000 0.604 1534 F N 1.330 121.354 119.950 0.123 0.000 2.458 1534 F HA 0.296 4.824 4.527 0.002 0.000 0.330 1534 F C 1.329 177.177 175.800 0.080 0.000 1.082 1534 F CA -0.844 57.219 58.000 0.104 0.000 0.995 1534 F CB 0.606 39.670 39.000 0.107 0.000 1.170 1534 F HN 0.571 nan 8.300 nan 0.000 0.478 1535 D N 0.121 120.689 120.400 0.280 0.000 2.277 1535 D HA -0.007 4.634 4.640 0.002 0.000 0.208 1535 D C 0.493 176.872 176.300 0.133 0.000 0.962 1535 D CA 1.049 55.146 54.000 0.162 0.000 0.865 1535 D CB 0.298 41.168 40.800 0.117 0.000 0.939 1535 D HN 0.426 nan 8.370 nan 0.000 0.510 1536 S N -2.542 113.243 115.700 0.141 0.000 2.627 1536 S HA 0.179 4.650 4.470 0.002 0.000 0.268 1536 S C 0.696 175.333 174.600 0.060 0.000 1.130 1536 S CA -0.590 57.662 58.200 0.087 0.000 0.819 1536 S CB 1.253 64.481 63.200 0.047 0.000 1.100 1536 S HN -0.142 nan 8.310 nan 0.000 0.465 1537 T N 1.266 115.844 114.554 0.039 0.000 2.708 1537 T HA -0.142 4.209 4.350 0.002 0.000 0.266 1537 T C 1.767 176.430 174.700 -0.063 0.000 1.037 1537 T CA 2.140 64.241 62.100 0.001 0.000 1.146 1537 T CB -0.596 68.279 68.868 0.011 0.000 0.865 1537 T HN 0.655 nan 8.240 nan 0.000 0.435 1538 Q N 1.184 120.960 119.800 -0.042 0.000 2.077 1538 Q HA -0.151 4.191 4.340 0.002 0.000 0.206 1538 Q C 2.374 178.319 176.000 -0.090 0.000 0.989 1538 Q CA 1.699 57.471 55.803 -0.052 0.000 0.853 1538 Q CB -0.519 28.203 28.738 -0.026 0.000 0.907 1538 Q HN 0.513 nan 8.270 nan 0.000 0.418 1539 Q N -1.043 118.701 119.800 -0.092 0.000 2.084 1539 Q HA -0.115 4.226 4.340 0.002 0.000 0.202 1539 Q C 1.820 177.631 176.000 -0.316 0.000 0.978 1539 Q CA 1.689 57.419 55.803 -0.122 0.000 0.844 1539 Q CB -0.464 28.254 28.738 -0.034 0.000 0.898 1539 Q HN 0.520 nan 8.270 nan 0.000 0.426 1540 G N 0.495 108.926 108.800 -0.615 0.000 2.404 1540 G HA2 -0.211 3.750 3.960 0.002 0.000 0.215 1540 G HA3 -0.211 3.750 3.960 0.002 0.000 0.215 1540 G C 1.548 176.161 174.900 -0.478 0.000 1.174 1540 G CA 1.231 45.493 45.100 -1.396 0.000 0.780 1540 G HN 0.504 nan 8.290 nan 0.000 0.537 1541 A N 0.994 123.680 122.820 -0.223 0.000 1.940 1541 A HA -0.111 4.211 4.320 0.002 0.000 0.219 1541 A C 2.104 179.680 177.584 -0.012 0.000 1.176 1541 A CA 2.281 54.288 52.037 -0.050 0.000 0.631 1541 A CB -0.477 18.487 19.000 -0.060 0.000 0.814 1541 A HN 0.295 nan 8.150 nan 0.000 0.446 1542 D N -0.177 120.179 120.400 -0.075 0.000 2.117 1542 D HA -0.081 4.560 4.640 0.002 0.000 0.198 1542 D C 1.926 178.194 176.300 -0.054 0.000 0.982 1542 D CA 0.842 54.811 54.000 -0.052 0.000 0.828 1542 D CB -0.302 40.460 40.800 -0.064 0.000 0.967 1542 D HN 0.436 nan 8.370 nan 0.000 0.464 1543 L N -0.548 120.606 121.223 -0.115 0.000 2.083 1543 L HA -0.132 4.209 4.340 0.002 0.000 0.209 1543 L C 2.134 178.923 176.870 -0.135 0.000 1.083 1543 L CA 0.730 55.482 54.840 -0.147 0.000 0.752 1543 L CB -0.298 41.642 42.059 -0.197 0.000 0.899 1543 L HN 0.007 nan 8.230 nan 0.000 0.433 1544 F N -1.177 118.726 119.950 -0.078 0.000 2.502 1544 F HA -0.134 4.395 4.527 0.003 0.000 0.298 1544 F C 2.090 177.880 175.800 -0.018 0.000 1.111 1544 F CA 0.639 58.622 58.000 -0.028 0.000 1.445 1544 F CB 0.084 39.066 39.000 -0.030 0.000 1.081 1544 F HN 0.085 nan 8.300 nan 0.000 0.558 1545 M N -0.574 119.100 119.600 0.124 0.000 2.431 1545 M HA 0.315 4.797 4.480 0.002 0.000 0.237 1545 M C 1.646 177.963 176.300 0.030 0.000 1.130 1545 M CA 0.332 55.675 55.300 0.071 0.000 1.002 1545 M CB -0.989 31.637 32.600 0.042 0.000 1.524 1545 M HN 0.217 nan 8.290 nan 0.000 0.482 1546 G N 1.793 110.595 108.800 0.004 0.000 2.155 1546 G HA2 -0.263 3.698 3.960 0.002 0.000 0.257 1546 G HA3 -0.263 3.698 3.960 0.002 0.000 0.257 1546 G C 0.097 174.975 174.900 -0.037 0.000 0.983 1546 G CA 0.306 45.390 45.100 -0.026 0.000 0.676 1546 G HN 0.519 nan 8.290 nan 0.000 0.528 1547 K N 0.329 120.708 120.400 -0.035 0.000 2.156 1547 K HA 0.656 4.977 4.320 0.002 0.000 0.271 1547 K C 0.696 177.264 176.600 -0.053 0.000 0.995 1547 K CA -0.267 55.998 56.287 -0.038 0.000 0.890 1547 K CB 2.034 34.519 32.500 -0.026 0.000 1.073 1547 K HN 1.558 nan 8.250 nan 0.000 0.454 1548 G N 1.634 110.405 108.800 -0.049 0.000 2.756 1548 G HA2 -0.171 3.790 3.960 0.002 0.000 0.678 1548 G HA3 -0.171 3.790 3.960 0.002 0.000 0.678 1548 G C -1.193 173.663 174.900 -0.073 0.000 1.349 1548 G CA -0.823 44.246 45.100 -0.051 0.000 0.847 1548 G HN 0.567 nan 8.290 nan 0.000 0.548 1549 E N 0.301 120.461 120.200 -0.067 0.000 2.231 1549 E HA 0.697 5.049 4.350 0.002 0.000 0.277 1549 E C 0.719 177.251 176.600 -0.112 0.000 0.999 1549 E CA 0.670 57.012 56.400 -0.097 0.000 0.827 1549 E CB 1.482 31.144 29.700 -0.064 0.000 1.101 1549 E HN 2.020 nan 8.360 nan 0.000 0.393 1550 G N 1.806 110.470 108.800 -0.227 0.000 2.357 1550 G HA2 0.076 4.037 3.960 0.002 0.000 0.289 1550 G HA3 0.076 4.037 3.960 0.002 0.000 0.289 1550 G C -1.593 172.997 174.900 -0.517 0.000 1.302 1550 G CA -0.971 43.993 45.100 -0.226 0.000 0.936 1550 G HN 0.530 nan 8.290 nan 0.000 0.513 1551 H N -1.570 117.321 119.070 -0.299 0.000 2.797 1551 H HA 0.782 5.339 4.556 0.002 0.000 0.372 1551 H C 0.984 176.123 175.328 -0.315 0.000 1.168 1551 H CA -0.575 55.114 56.048 -0.598 0.000 1.163 1551 H CB 2.154 31.003 29.762 -1.521 0.000 1.778 1551 H HN 0.385 nan 8.280 nan 0.000 0.551 1552 I N -0.567 119.929 120.570 -0.122 0.000 3.650 1552 I HA 0.173 4.344 4.170 0.002 0.000 0.261 1552 I C -0.931 175.418 176.117 0.386 0.000 1.154 1552 I CA 0.027 61.407 61.300 0.133 0.000 1.418 1552 I CB 0.858 38.795 38.000 -0.106 0.000 1.539 1552 I HN 0.352 nan 8.210 nan 0.000 0.449 1553 Y N -0.201 120.211 120.300 0.188 0.000 2.474 1553 Y HA 0.267 4.818 4.550 0.003 0.000 0.326 1553 Y C 0.629 176.655 175.900 0.209 0.000 1.160 1553 Y CA -1.004 57.241 58.100 0.242 0.000 1.056 1553 Y CB 1.706 40.241 38.460 0.126 0.000 1.330 1553 Y HN -0.159 nan 8.280 nan 0.000 0.447 1554 S N 3.324 118.892 115.700 -0.219 0.000 2.419 1554 S HA -0.146 4.326 4.470 0.002 0.000 0.233 1554 S C 1.909 176.424 174.600 -0.141 0.000 1.016 1554 S CA 1.576 59.719 58.200 -0.096 0.000 0.974 1554 S CB -0.161 62.965 63.200 -0.124 0.000 0.786 1554 S HN 0.725 nan 8.310 nan 0.000 0.492 1555 R N 0.952 121.303 120.500 -0.248 0.000 2.120 1555 R HA 0.011 4.352 4.340 0.002 0.000 0.234 1555 R C 1.844 178.166 176.300 0.036 0.000 1.123 1555 R CA 1.097 57.181 56.100 -0.028 0.000 0.975 1555 R CB -0.244 30.128 30.300 0.120 0.000 0.866 1555 R HN 0.367 nan 8.270 nan 0.000 0.446 1556 L N -0.939 120.337 121.223 0.087 0.000 2.240 1556 L HA 0.209 4.551 4.340 0.002 0.000 0.211 1556 L C 0.809 177.668 176.870 -0.019 0.000 1.106 1556 L CA 0.519 55.375 54.840 0.027 0.000 0.793 1556 L CB 0.138 42.206 42.059 0.014 0.000 0.927 1556 L HN 0.392 nan 8.230 nan 0.000 0.446 1557 G N -0.112 108.684 108.800 -0.008 0.000 2.387 1557 G HA2 0.087 4.049 3.960 0.002 0.000 0.309 1557 G HA3 0.087 4.049 3.960 0.002 0.000 0.309 1557 G C -2.006 172.914 174.900 0.034 0.000 1.641 1557 G CA -0.633 44.466 45.100 -0.003 0.000 0.904 1557 G HN -0.066 nan 8.290 nan 0.000 0.661 1558 N N 2.819 121.523 118.700 0.007 0.000 2.296 1558 N HA 0.494 5.235 4.740 0.002 0.000 0.294 1558 N C -2.010 173.432 175.510 -0.114 0.000 1.033 1558 N CA -1.944 51.087 53.050 -0.031 0.000 0.839 1558 N CB 3.505 42.019 38.487 0.045 0.000 1.395 1558 N HN 0.051 nan 8.380 nan 0.000 0.479 1559 P HA -0.059 nan 4.420 nan 0.000 0.216 1559 P C 1.056 178.313 177.300 -0.072 0.000 1.150 1559 P CA 1.547 64.455 63.100 -0.321 0.000 0.837 1559 P CB 0.286 31.495 31.700 -0.819 0.000 0.786 1560 T N -0.717 113.919 114.554 0.138 0.000 2.777 1560 T HA -0.072 4.279 4.350 0.002 0.000 0.266 1560 T C 1.863 176.606 174.700 0.071 0.000 1.040 1560 T CA 1.213 63.448 62.100 0.225 0.000 1.141 1560 T CB -0.993 68.110 68.868 0.392 0.000 0.868 1560 T HN -0.116 nan 8.240 nan 0.000 0.444 1561 V N 1.681 121.636 119.914 0.069 0.000 2.343 1561 V HA -0.178 3.944 4.120 0.002 0.000 0.247 1561 V C 2.436 178.558 176.094 0.046 0.000 1.051 1561 V CA 1.693 64.034 62.300 0.069 0.000 1.036 1561 V CB -0.673 31.173 31.823 0.038 0.000 0.654 1561 V HN 0.536 nan 8.190 nan 0.000 0.451 1562 E N -0.463 119.724 120.200 -0.021 0.000 2.153 1562 E HA -0.251 4.100 4.350 0.002 0.000 0.194 1562 E C 2.352 178.886 176.600 -0.110 0.000 0.988 1562 E CA 0.998 57.365 56.400 -0.055 0.000 0.811 1562 E CB -0.168 29.506 29.700 -0.044 0.000 0.746 1562 E HN 0.535 nan 8.360 nan 0.000 0.466 1563 Q N -0.022 119.662 119.800 -0.194 0.000 2.084 1563 Q HA -0.185 4.156 4.340 0.002 0.000 0.202 1563 Q C 2.006 177.932 176.000 -0.123 0.000 0.978 1563 Q CA 1.257 56.891 55.803 -0.281 0.000 0.844 1563 Q CB -0.144 28.215 28.738 -0.633 0.000 0.898 1563 Q HN 0.337 nan 8.270 nan 0.000 0.426 1564 F N 1.512 121.369 119.950 -0.154 0.000 2.113 1564 F HA -0.155 4.372 4.527 -0.000 0.000 0.297 1564 F C 1.985 177.737 175.800 -0.080 0.000 1.103 1564 F CA 1.449 59.388 58.000 -0.102 0.000 1.248 1564 F CB 0.017 38.977 39.000 -0.067 0.000 0.999 1564 F HN 0.085 nan 8.300 nan 0.000 0.475 1565 E N 0.323 120.417 120.200 -0.178 0.000 2.086 1565 E HA -0.304 4.047 4.350 0.002 0.000 0.200 1565 E C 2.040 178.489 176.600 -0.252 0.000 1.012 1565 E CA 2.083 58.340 56.400 -0.238 0.000 0.812 1565 E CB -0.355 29.290 29.700 -0.091 0.000 0.743 1565 E HN 0.603 nan 8.360 nan 0.000 0.453 1566 E N 0.188 120.274 120.200 -0.190 0.000 2.110 1566 E HA -0.192 4.159 4.350 0.002 0.000 0.193 1566 E C 2.095 178.586 176.600 -0.182 0.000 0.988 1566 E CA 1.109 57.414 56.400 -0.158 0.000 0.804 1566 E CB -0.065 29.556 29.700 -0.132 0.000 0.745 1566 E HN 0.285 nan 8.360 nan 0.000 0.458 1567 M N 0.021 119.479 119.600 -0.238 0.000 2.086 1567 M HA -0.173 4.308 4.480 0.002 0.000 0.261 1567 M C 2.357 178.497 176.300 -0.266 0.000 1.067 1567 M CA 1.198 56.359 55.300 -0.231 0.000 1.116 1567 M CB -0.148 32.316 32.600 -0.226 0.000 1.348 1567 M HN 0.030 nan 8.290 nan 0.000 0.407 1568 V N -0.533 119.135 119.914 -0.409 0.000 2.358 1568 V HA -0.286 3.835 4.120 0.002 0.000 0.246 1568 V C 2.464 178.449 176.094 -0.181 0.000 1.047 1568 V CA 1.707 63.809 62.300 -0.331 0.000 1.035 1568 V CB -0.664 30.897 31.823 -0.437 0.000 0.658 1568 V HN 0.694 nan 8.190 nan 0.000 0.452 1569 C N 1.210 120.413 119.300 -0.162 0.000 2.391 1569 C HA -0.207 4.254 4.460 0.002 0.000 0.276 1569 C C 3.333 178.279 174.990 -0.073 0.000 1.217 1569 C CA 1.940 60.904 59.018 -0.091 0.000 1.766 1569 C CB -1.094 26.597 27.740 -0.081 0.000 2.046 1569 C HN 0.778 nan 8.230 nan 0.000 0.475 1570 S N 0.130 115.778 115.700 -0.087 0.000 2.371 1570 S HA -0.123 4.349 4.470 0.002 0.000 0.224 1570 S C 1.919 176.485 174.600 -0.058 0.000 1.029 1570 S CA 1.546 59.707 58.200 -0.064 0.000 0.978 1570 S CB -0.820 62.342 63.200 -0.064 0.000 0.833 1570 S HN 0.747 nan 8.310 nan 0.000 0.466 1571 I N 1.398 121.923 120.570 -0.075 0.000 2.439 1571 I HA -0.090 4.082 4.170 0.002 0.000 0.251 1571 I C 2.101 178.192 176.117 -0.045 0.000 1.139 1571 I CA 1.358 62.618 61.300 -0.067 0.000 1.438 1571 I CB -0.105 37.838 38.000 -0.095 0.000 1.085 1571 I HN 0.264 nan 8.210 nan 0.000 0.427 1572 E N 0.838 121.016 120.200 -0.036 0.000 2.285 1572 E HA -0.004 4.347 4.350 0.002 0.000 0.194 1572 E C 1.357 177.956 176.600 -0.002 0.000 0.997 1572 E CA 0.837 57.236 56.400 -0.001 0.000 0.845 1572 E CB -0.070 29.641 29.700 0.019 0.000 0.782 1572 E HN 0.623 nan 8.360 nan 0.000 0.491 1573 G N 1.724 110.515 108.800 -0.015 0.000 2.246 1573 G HA2 -0.249 3.713 3.960 0.002 0.000 0.273 1573 G HA3 -0.249 3.713 3.960 0.002 0.000 0.273 1573 G C 0.296 175.193 174.900 -0.006 0.000 1.055 1573 G CA 0.386 45.479 45.100 -0.012 0.000 0.851 1573 G HN 0.484 nan 8.290 nan 0.000 0.500 1574 A N -0.754 122.062 122.820 -0.006 0.000 2.252 1574 A HA 0.953 5.274 4.320 0.002 0.000 0.305 1574 A C 1.536 179.121 177.584 0.001 0.000 1.097 1574 A CA 0.519 52.558 52.037 0.004 0.000 0.849 1574 A CB 0.853 19.859 19.000 0.011 0.000 1.142 1574 A HN 1.678 nan 8.150 nan 0.000 0.499 1575 A N -0.551 122.275 122.820 0.011 0.000 2.072 1575 A HA 0.498 4.819 4.320 0.002 0.000 0.216 1575 A C 1.066 178.654 177.584 0.008 0.000 1.156 1575 A CA 1.413 53.456 52.037 0.009 0.000 0.701 1575 A CB -0.425 18.587 19.000 0.019 0.000 0.816 1575 A HN 2.176 nan 8.150 nan 0.000 0.458 1576 G N -2.452 106.357 108.800 0.015 0.000 2.489 1576 G HA2 0.491 4.453 3.960 0.002 0.000 0.291 1576 G HA3 0.491 4.453 3.960 0.002 0.000 0.291 1576 G C -1.273 173.640 174.900 0.021 0.000 1.487 1576 G CA 0.049 45.155 45.100 0.009 0.000 0.795 1576 G HN 0.319 nan 8.290 nan 0.000 0.513 1577 S N -1.244 114.458 115.700 0.003 0.000 2.549 1577 S HA 0.895 5.367 4.470 0.002 0.000 0.280 1577 S C -0.370 174.234 174.600 0.005 0.000 1.109 1577 S CA -0.104 58.105 58.200 0.016 0.000 0.905 1577 S CB 1.909 65.084 63.200 -0.041 0.000 1.081 1577 S HN 1.788 nan 8.310 nan 0.000 0.477 1578 A N 1.257 124.102 122.820 0.042 0.000 2.374 1578 A HA 0.875 5.197 4.320 0.002 0.000 0.305 1578 A C -0.408 177.078 177.584 -0.164 0.000 1.053 1578 A CA -0.670 51.305 52.037 -0.102 0.000 0.726 1578 A CB 1.060 19.996 19.000 -0.107 0.000 1.229 1578 A HN 1.065 nan 8.150 nan 0.000 0.431 1579 A N 1.569 124.245 122.820 -0.239 0.000 2.295 1579 A HA 0.933 5.254 4.320 0.002 0.000 0.318 1579 A C -0.813 176.511 177.584 -0.433 0.000 1.134 1579 A CA -0.260 51.743 52.037 -0.056 0.000 0.827 1579 A CB 0.343 19.448 19.000 0.175 0.000 1.136 1579 A HN 0.779 nan 8.150 nan 0.000 0.493 1580 F N -0.694 119.335 119.950 0.132 0.000 2.675 1580 F HA 0.539 5.066 4.527 0.001 0.000 0.324 1580 F C 1.554 177.395 175.800 0.070 0.000 1.106 1580 F CA -0.023 58.036 58.000 0.098 0.000 0.970 1580 F CB 1.652 40.718 39.000 0.111 0.000 1.385 1580 F HN 0.619 nan 8.300 nan 0.000 0.489 1581 G N -0.341 108.619 108.800 0.267 0.000 2.509 1581 G HA2 0.240 4.201 3.960 0.002 0.000 0.218 1581 G HA3 0.240 4.201 3.960 0.002 0.000 0.218 1581 G C -0.116 174.863 174.900 0.132 0.000 1.124 1581 G CA 0.995 46.184 45.100 0.148 0.000 0.776 1581 G HN 0.653 nan 8.290 nan 0.000 0.547 1582 S N -3.626 112.178 115.700 0.173 0.000 2.595 1582 S HA 0.511 4.982 4.470 0.002 0.000 0.270 1582 S C 1.036 175.708 174.600 0.120 0.000 1.145 1582 S CA 0.185 58.455 58.200 0.117 0.000 0.825 1582 S CB 1.002 64.251 63.200 0.081 0.000 1.107 1582 S HN 0.445 nan 8.310 nan 0.000 0.461 1583 G N 0.884 109.737 108.800 0.089 0.000 2.469 1583 G HA2 -0.182 3.780 3.960 0.002 0.000 0.219 1583 G HA3 -0.182 3.780 3.960 0.002 0.000 0.219 1583 G C 1.157 176.079 174.900 0.037 0.000 1.150 1583 G CA 1.382 46.528 45.100 0.076 0.000 0.763 1583 G HN 0.553 nan 8.290 nan 0.000 0.561 1584 M N 1.165 120.791 119.600 0.044 0.000 2.159 1584 M HA 0.011 4.493 4.480 0.002 0.000 0.263 1584 M C 2.778 179.055 176.300 -0.038 0.000 1.063 1584 M CA 1.042 56.356 55.300 0.023 0.000 1.110 1584 M CB -1.719 30.914 32.600 0.055 0.000 1.374 1584 M HN 0.264 nan 8.290 nan 0.000 0.411 1585 G N -0.344 108.434 108.800 -0.038 0.000 2.418 1585 G HA2 -0.058 3.903 3.960 0.002 0.000 0.217 1585 G HA3 -0.058 3.903 3.960 0.002 0.000 0.217 1585 G C 1.658 176.193 174.900 -0.608 0.000 1.158 1585 G CA 1.140 46.165 45.100 -0.124 0.000 0.771 1585 G HN 0.551 nan 8.290 nan 0.000 0.545 1586 A N 0.491 122.920 122.820 -0.651 0.000 1.930 1586 A HA 0.140 4.462 4.320 0.002 0.000 0.217 1586 A C 2.384 179.728 177.584 -0.399 0.000 1.175 1586 A CA 1.050 52.528 52.037 -0.933 0.000 0.627 1586 A CB -0.272 18.596 19.000 -0.219 0.000 0.815 1586 A HN 0.374 nan 8.150 nan 0.000 0.443 1587 I N 0.577 121.053 120.570 -0.156 0.000 2.202 1587 I HA -0.237 3.934 4.170 0.002 0.000 0.242 1587 I C 2.896 178.989 176.117 -0.040 0.000 1.091 1587 I CA 1.624 62.925 61.300 0.002 0.000 1.368 1587 I CB -0.236 37.779 38.000 0.024 0.000 1.058 1587 I HN 0.488 nan 8.210 nan 0.000 0.410 1588 S N -0.251 115.395 115.700 -0.089 0.000 2.383 1588 S HA -0.113 4.358 4.470 0.002 0.000 0.227 1588 S C 1.996 176.466 174.600 -0.217 0.000 1.026 1588 S CA 1.279 59.448 58.200 -0.053 0.000 0.981 1588 S CB -0.497 62.716 63.200 0.022 0.000 0.818 1588 S HN 0.311 nan 8.310 nan 0.000 0.472 1589 S N 1.776 117.292 115.700 -0.307 0.000 2.453 1589 S HA 0.084 4.556 4.470 0.002 0.000 0.231 1589 S C 1.795 176.200 174.600 -0.325 0.000 1.005 1589 S CA 0.910 58.813 58.200 -0.494 0.000 0.949 1589 S CB -0.306 62.781 63.200 -0.188 0.000 0.774 1589 S HN 0.598 nan 8.310 nan 0.000 0.510 1590 S N 0.806 116.437 115.700 -0.116 0.000 2.558 1590 S HA 0.033 4.505 4.470 0.002 0.000 0.217 1590 S C 1.899 176.639 174.600 0.233 0.000 0.975 1590 S CA 0.844 59.123 58.200 0.130 0.000 0.912 1590 S CB 0.064 63.360 63.200 0.160 0.000 0.776 1590 S HN 0.833 nan 8.310 nan 0.000 0.526 1591 T N -0.429 114.168 114.554 0.072 0.000 3.182 1591 T HA 0.275 4.626 4.350 0.002 0.000 0.244 1591 T C 1.567 176.266 174.700 -0.001 0.000 0.981 1591 T CA -0.143 62.020 62.100 0.106 0.000 1.182 1591 T CB -0.659 68.262 68.868 0.089 0.000 1.043 1591 T HN 0.199 nan 8.240 nan 0.000 0.424 1592 L N 1.702 122.820 121.223 -0.175 0.000 2.465 1592 L HA 0.272 4.614 4.340 0.002 0.000 0.224 1592 L C 3.039 179.672 176.870 -0.394 0.000 1.145 1592 L CA 0.694 55.405 54.840 -0.215 0.000 0.834 1592 L CB -0.569 41.420 42.059 -0.117 0.000 0.944 1592 L HN 0.439 nan 8.230 nan 0.000 0.451 1593 A N -0.355 122.042 122.820 -0.706 0.000 2.067 1593 A HA -0.108 4.213 4.320 0.002 0.000 0.219 1593 A C 1.816 179.027 177.584 -0.623 0.000 1.158 1593 A CA 1.480 53.132 52.037 -0.642 0.000 0.661 1593 A CB -0.376 18.122 19.000 -0.836 0.000 0.801 1593 A HN 0.417 nan 8.150 nan 0.000 0.452 1594 F N -1.278 118.637 119.950 -0.059 0.000 2.619 1594 F HA 0.348 4.877 4.527 0.002 0.000 0.281 1594 F C 0.542 176.331 175.800 -0.018 0.000 1.065 1594 F CA -0.429 57.558 58.000 -0.021 0.000 1.304 1594 F CB 0.036 39.025 39.000 -0.020 0.000 1.059 1594 F HN -0.120 nan 8.300 nan 0.000 0.648 1595 L N 2.480 123.787 121.223 0.139 0.000 2.397 1595 L HA 0.299 4.641 4.340 0.002 0.000 0.271 1595 L C -0.128 176.780 176.870 0.062 0.000 1.148 1595 L CA -0.202 54.685 54.840 0.077 0.000 0.825 1595 L CB 0.729 42.809 42.059 0.035 0.000 1.117 1595 L HN 0.211 nan 8.230 nan 0.000 0.456 1596 Q N 2.388 122.223 119.800 0.058 0.000 2.544 1596 Q HA 0.373 4.715 4.340 0.002 0.000 0.291 1596 Q C -0.962 175.075 176.000 0.062 0.000 1.068 1596 Q CA -1.194 54.644 55.803 0.059 0.000 0.785 1596 Q CB 1.891 30.657 28.738 0.047 0.000 1.481 1596 Q HN 0.383 nan 8.270 nan 0.000 0.430 1597 K N -0.195 120.248 120.400 0.072 0.000 2.513 1597 K HA -0.049 4.272 4.320 0.002 0.000 0.275 1597 K C 0.611 177.238 176.600 0.045 0.000 1.025 1597 K CA 1.997 58.325 56.287 0.068 0.000 1.125 1597 K CB -0.616 31.925 32.500 0.067 0.000 0.843 1597 K HN 0.962 nan 8.250 nan 0.000 0.486 1598 G N 3.121 111.944 108.800 0.038 0.000 2.213 1598 G HA2 -0.200 3.762 3.960 0.002 0.000 0.236 1598 G HA3 -0.200 3.762 3.960 0.002 0.000 0.236 1598 G C -0.332 174.583 174.900 0.025 0.000 0.991 1598 G CA 0.242 45.357 45.100 0.025 0.000 0.629 1598 G HN 0.721 nan 8.290 nan 0.000 0.517 1599 D N -0.042 120.376 120.400 0.030 0.000 2.348 1599 D HA 0.596 5.237 4.640 0.002 0.000 0.249 1599 D C 0.124 176.448 176.300 0.041 0.000 1.110 1599 D CA 0.072 54.086 54.000 0.024 0.000 0.967 1599 D CB 1.085 41.892 40.800 0.011 0.000 1.139 1599 D HN 0.387 nan 8.370 nan 0.000 0.466 1600 H N -0.113 118.887 119.070 -0.117 0.000 2.538 1600 H HA 0.548 5.106 4.556 0.003 0.000 0.353 1600 H C -1.709 173.491 175.328 -0.213 0.000 1.109 1600 H CA -0.925 55.026 56.048 -0.161 0.000 1.192 1600 H CB 0.954 30.604 29.762 -0.188 0.000 1.555 1600 H HN 0.154 nan 8.280 nan 0.000 0.518 1601 L N 5.911 126.715 121.223 -0.699 0.000 2.341 1601 L HA 0.527 4.869 4.340 0.002 0.000 0.278 1601 L C -1.455 174.947 176.870 -0.780 0.000 1.005 1601 L CA -0.421 54.032 54.840 -0.645 0.000 0.818 1601 L CB 1.027 42.797 42.059 -0.480 0.000 1.259 1601 L HN 0.720 nan 8.230 nan 0.000 0.418 1602 I N 5.195 125.407 120.570 -0.596 0.000 2.315 1602 I HA 0.669 4.840 4.170 0.002 0.000 0.291 1602 I C 0.073 176.089 176.117 -0.170 0.000 1.006 1602 I CA -0.157 60.936 61.300 -0.346 0.000 1.265 1602 I CB 1.467 39.322 38.000 -0.241 0.000 1.387 1602 I HN 0.829 nan 8.210 nan 0.000 0.475 1603 A N 4.763 127.532 122.820 -0.085 0.000 2.374 1603 A HA 0.786 5.108 4.320 0.002 0.000 0.317 1603 A C 0.170 177.833 177.584 0.130 0.000 1.094 1603 A CA -0.646 51.437 52.037 0.076 0.000 0.765 1603 A CB 1.153 20.216 19.000 0.105 0.000 1.268 1603 A HN 0.763 nan 8.150 nan 0.000 0.438 1604 G N 0.645 109.559 108.800 0.190 0.000 2.391 1604 G HA2 0.276 4.237 3.960 0.002 0.000 0.234 1604 G HA3 0.276 4.237 3.960 0.002 0.000 0.234 1604 G C 0.357 175.341 174.900 0.139 0.000 1.284 1604 G CA 0.561 45.748 45.100 0.145 0.000 0.873 1604 G HN 0.863 nan 8.290 nan 0.000 0.549 1605 D N -0.429 120.029 120.400 0.096 0.000 2.317 1605 D HA -0.053 4.589 4.640 0.002 0.000 0.211 1605 D C 1.170 177.517 176.300 0.079 0.000 0.966 1605 D CA 0.923 54.971 54.000 0.081 0.000 0.876 1605 D CB 0.090 40.924 40.800 0.057 0.000 0.927 1605 D HN 0.325 nan 8.370 nan 0.000 0.519 1606 T N -0.099 114.504 114.554 0.082 0.000 2.791 1606 T HA 0.600 4.952 4.350 0.002 0.000 0.288 1606 T C -0.909 173.848 174.700 0.094 0.000 0.999 1606 T CA -0.719 61.425 62.100 0.073 0.000 0.952 1606 T CB 0.001 68.895 68.868 0.043 0.000 0.938 1606 T HN 0.093 nan 8.240 nan 0.000 0.444 1607 L N 3.676 124.972 121.223 0.122 0.000 2.479 1607 L HA 0.503 4.844 4.340 0.002 0.000 0.255 1607 L C -0.937 176.044 176.870 0.184 0.000 1.026 1607 L CA -1.658 53.261 54.840 0.133 0.000 0.842 1607 L CB 1.646 43.761 42.059 0.093 0.000 1.444 1607 L HN 0.597 nan 8.230 nan 0.000 0.409 1608 Y N 0.893 121.211 120.300 0.031 0.000 2.811 1608 Y HA 0.039 4.591 4.550 0.004 0.000 0.334 1608 Y C 1.264 177.019 175.900 -0.242 0.000 1.247 1608 Y CA 0.707 58.766 58.100 -0.068 0.000 1.526 1608 Y CB 1.172 39.609 38.460 -0.040 0.000 1.284 1608 Y HN 0.702 nan 8.280 nan 0.000 0.586 1609 G N 3.364 111.408 108.800 -1.259 0.000 2.513 1609 G HA2 -0.333 3.629 3.960 0.002 0.000 0.219 1609 G HA3 -0.333 3.629 3.960 0.002 0.000 0.219 1609 G C 1.497 175.908 174.900 -0.815 0.000 1.160 1609 G CA 1.249 45.744 45.100 -1.007 0.000 0.767 1609 G HN 0.809 nan 8.290 nan 0.000 0.571 1610 C N 0.500 119.105 119.300 -1.160 0.000 2.448 1610 C HA 0.075 4.536 4.460 0.002 0.000 0.280 1610 C C 3.173 177.940 174.990 -0.372 0.000 1.398 1610 C CA 1.282 59.972 59.018 -0.546 0.000 1.774 1610 C CB -0.958 26.611 27.740 -0.284 0.000 1.888 1610 C HN 0.473 nan 8.230 nan 0.000 0.519 1611 T N 0.901 115.202 114.554 -0.422 0.000 2.777 1611 T HA -0.117 4.234 4.350 0.002 0.000 0.266 1611 T C 1.907 176.222 174.700 -0.641 0.000 1.040 1611 T CA 1.329 63.088 62.100 -0.569 0.000 1.141 1611 T CB -0.267 68.304 68.868 -0.495 0.000 0.868 1611 T HN 0.362 nan 8.240 nan 0.000 0.444 1612 V N 1.454 121.137 119.914 -0.384 0.000 2.287 1612 V HA -0.203 3.919 4.120 0.002 0.000 0.248 1612 V C 2.751 178.752 176.094 -0.154 0.000 1.053 1612 V CA 2.063 64.238 62.300 -0.209 0.000 1.027 1612 V CB -0.915 30.819 31.823 -0.148 0.000 0.646 1612 V HN 0.509 nan 8.190 nan 0.000 0.447 1613 S N -0.700 114.891 115.700 -0.181 0.000 2.359 1613 S HA -0.208 4.264 4.470 0.002 0.000 0.224 1613 S C 2.025 176.642 174.600 0.029 0.000 1.035 1613 S CA 1.962 60.104 58.200 -0.096 0.000 1.018 1613 S CB -0.386 62.752 63.200 -0.103 0.000 0.876 1613 S HN 0.471 nan 8.310 nan 0.000 0.448 1614 L N 0.050 121.288 121.223 0.025 0.000 1.971 1614 L HA -0.131 4.211 4.340 0.002 0.000 0.215 1614 L C 2.238 179.278 176.870 0.283 0.000 1.072 1614 L CA 2.160 57.117 54.840 0.196 0.000 0.758 1614 L CB -0.627 41.396 42.059 -0.060 0.000 0.889 1614 L HN 0.484 nan 8.230 nan 0.000 0.433 1615 F N -1.282 118.663 119.950 -0.008 0.000 2.293 1615 F HA -0.201 4.327 4.527 0.002 0.000 0.300 1615 F C 2.442 178.212 175.800 -0.049 0.000 1.086 1615 F CA 0.954 58.925 58.000 -0.048 0.000 1.375 1615 F CB -0.122 38.817 39.000 -0.101 0.000 1.045 1615 F HN 0.160 nan 8.300 nan 0.000 0.516 1616 T N -2.618 112.016 114.554 0.133 0.000 3.039 1616 T HA -0.070 4.281 4.350 0.002 0.000 0.250 1616 T C 1.640 176.316 174.700 -0.040 0.000 1.052 1616 T CA 0.566 62.685 62.100 0.032 0.000 1.125 1616 T CB -0.041 68.832 68.868 0.008 0.000 0.908 1616 T HN 0.350 nan 8.240 nan 0.000 0.473 1617 H N -1.560 117.378 119.070 -0.220 0.000 2.422 1617 H HA 0.057 4.615 4.556 0.002 0.000 0.303 1617 H C 1.701 176.699 175.328 -0.550 0.000 1.033 1617 H CA 0.590 56.358 56.048 -0.468 0.000 1.335 1617 H CB 0.212 29.544 29.762 -0.716 0.000 1.458 1617 H HN 0.366 nan 8.280 nan 0.000 0.556 1618 W N 1.356 122.593 121.300 -0.105 0.000 2.488 1618 W HA 0.044 4.705 4.660 0.001 0.000 0.304 1618 W C 2.595 178.841 176.519 -0.456 0.000 1.175 1618 W CA 0.022 57.175 57.345 -0.322 0.000 1.365 1618 W CB -0.304 29.116 29.460 -0.068 0.000 1.131 1618 W HN 0.031 nan 8.180 nan 0.000 0.520 1619 L N 0.296 121.566 121.223 0.079 0.000 2.012 1619 L HA -0.172 4.170 4.340 0.002 0.000 0.210 1619 L C -0.498 176.349 176.870 -0.039 0.000 1.073 1619 L CA 1.573 56.468 54.840 0.093 0.000 0.748 1619 L CB -2.481 39.642 42.059 0.106 0.000 0.891 1619 L HN -0.053 nan 8.230 nan 0.000 0.431 1620 P HA -0.113 nan 4.420 nan 0.000 0.220 1620 P C 1.433 178.637 177.300 -0.160 0.000 1.148 1620 P CA 1.159 64.193 63.100 -0.110 0.000 0.803 1620 P CB -0.073 31.553 31.700 -0.123 0.000 0.782 1621 R N -1.322 118.983 120.500 -0.325 0.000 2.148 1621 R HA -0.012 4.330 4.340 0.002 0.000 0.227 1621 R C 1.314 177.514 176.300 -0.166 0.000 1.103 1621 R CA 1.022 56.914 56.100 -0.346 0.000 0.983 1621 R CB -0.584 29.379 30.300 -0.562 0.000 0.874 1621 R HN 0.304 nan 8.270 nan 0.000 0.451 1622 F N -0.413 119.570 119.950 0.056 0.000 2.645 1622 F HA 0.267 4.795 4.527 0.002 0.000 0.300 1622 F C 1.257 177.079 175.800 0.036 0.000 1.115 1622 F CA -0.152 57.884 58.000 0.060 0.000 1.355 1622 F CB 0.918 39.970 39.000 0.086 0.000 1.026 1622 F HN 0.124 nan 8.300 nan 0.000 0.536 1623 G N 1.703 110.583 108.800 0.132 0.000 2.147 1623 G HA2 -0.309 3.652 3.960 0.002 0.000 0.244 1623 G HA3 -0.309 3.652 3.960 0.002 0.000 0.244 1623 G C -0.073 174.867 174.900 0.066 0.000 1.005 1623 G CA -0.330 44.816 45.100 0.077 0.000 0.713 1623 G HN 0.377 nan 8.290 nan 0.000 0.515 1624 I N 1.056 121.666 120.570 0.068 0.000 2.321 1624 I HA 0.297 4.468 4.170 0.002 0.000 0.291 1624 I C 0.432 176.557 176.117 0.013 0.000 0.998 1624 I CA -0.664 60.662 61.300 0.043 0.000 1.227 1624 I CB 1.116 39.149 38.000 0.054 0.000 1.368 1624 I HN 0.129 nan 8.210 nan 0.000 0.466 1625 E N 5.625 125.846 120.200 0.035 0.000 2.290 1625 E HA 0.357 4.708 4.350 0.002 0.000 0.277 1625 E C -1.016 175.620 176.600 0.059 0.000 1.035 1625 E CA -0.352 56.094 56.400 0.077 0.000 0.873 1625 E CB 1.530 31.314 29.700 0.140 0.000 1.029 1625 E HN 0.265 nan 8.360 nan 0.000 0.419 1626 V N 3.780 123.702 119.914 0.013 0.000 2.531 1626 V HA 0.241 4.363 4.120 0.002 0.000 0.301 1626 V C -0.688 175.397 176.094 -0.015 0.000 1.034 1626 V CA -0.895 61.353 62.300 -0.086 0.000 0.865 1626 V CB 1.941 33.698 31.823 -0.110 0.000 0.995 1626 V HN 0.651 nan 8.190 nan 0.000 0.424 1627 D N 4.435 124.806 120.400 -0.047 0.000 2.492 1627 D HA 0.471 5.112 4.640 0.002 0.000 0.248 1627 D C -0.584 175.711 176.300 -0.009 0.000 1.101 1627 D CA -0.270 53.744 54.000 0.023 0.000 0.840 1627 D CB 2.492 43.364 40.800 0.120 0.000 1.209 1627 D HN 0.311 nan 8.370 nan 0.000 0.524 1628 L N 3.805 125.044 121.223 0.026 0.000 2.290 1628 L HA 0.537 4.879 4.340 0.002 0.000 0.284 1628 L C 0.413 177.311 176.870 0.048 0.000 1.078 1628 L CA -0.591 54.279 54.840 0.049 0.000 0.815 1628 L CB 0.461 42.560 42.059 0.067 0.000 1.162 1628 L HN 0.375 nan 8.230 nan 0.000 0.435 1629 I N -0.939 119.663 120.570 0.054 0.000 3.195 1629 I HA 0.440 4.612 4.170 0.002 0.000 0.313 1629 I C -0.701 175.451 176.117 0.058 0.000 1.237 1629 I CA -0.973 60.359 61.300 0.053 0.000 0.963 1629 I CB 2.150 40.185 38.000 0.057 0.000 1.278 1629 I HN 0.297 nan 8.210 nan 0.000 0.460 1630 D N 2.133 122.563 120.400 0.051 0.000 2.416 1630 D HA 0.148 4.789 4.640 0.002 0.000 0.240 1630 D C 1.088 177.419 176.300 0.051 0.000 1.250 1630 D CA 0.293 54.320 54.000 0.046 0.000 0.967 1630 D CB 0.576 41.397 40.800 0.035 0.000 1.059 1630 D HN 0.733 nan 8.370 nan 0.000 0.512 1631 T N -0.577 114.012 114.554 0.058 0.000 3.148 1631 T HA -0.085 4.267 4.350 0.002 0.000 0.253 1631 T C 1.627 176.357 174.700 0.050 0.000 1.134 1631 T CA 0.424 62.560 62.100 0.060 0.000 1.051 1631 T CB -0.296 68.612 68.868 0.066 0.000 0.959 1631 T HN 0.238 nan 8.240 nan 0.000 0.525 1632 S N 0.240 115.965 115.700 0.042 0.000 2.561 1632 S HA 0.038 4.509 4.470 0.002 0.000 0.225 1632 S C 0.361 174.976 174.600 0.025 0.000 0.977 1632 S CA -0.095 58.124 58.200 0.033 0.000 0.926 1632 S CB -0.222 62.991 63.200 0.021 0.000 0.769 1632 S HN 0.474 nan 8.310 nan 0.000 0.533 1633 D N 0.853 121.271 120.400 0.030 0.000 2.440 1633 D HA 0.264 4.905 4.640 0.002 0.000 0.252 1633 D C 0.723 177.045 176.300 0.036 0.000 1.180 1633 D CA -0.533 53.483 54.000 0.027 0.000 0.894 1633 D CB 1.670 42.483 40.800 0.023 0.000 1.111 1633 D HN -0.074 nan 8.370 nan 0.000 0.544 1634 V N 4.437 124.369 119.914 0.031 0.000 2.380 1634 V HA -0.205 3.917 4.120 0.002 0.000 0.251 1634 V C 1.708 177.824 176.094 0.036 0.000 1.063 1634 V CA 1.898 64.218 62.300 0.033 0.000 1.055 1634 V CB -0.037 31.796 31.823 0.016 0.000 0.657 1634 V HN 0.496 nan 8.190 nan 0.000 0.455 1635 E N -0.023 120.193 120.200 0.027 0.000 2.150 1635 E HA -0.199 4.152 4.350 0.002 0.000 0.193 1635 E C 2.193 178.823 176.600 0.050 0.000 0.985 1635 E CA 1.139 57.556 56.400 0.028 0.000 0.814 1635 E CB -0.301 29.410 29.700 0.018 0.000 0.752 1635 E HN 0.652 nan 8.360 nan 0.000 0.466 1636 K N 0.520 120.953 120.400 0.054 0.000 2.211 1636 K HA -0.051 4.271 4.320 0.002 0.000 0.203 1636 K C 2.165 178.827 176.600 0.103 0.000 1.050 1636 K CA 0.785 57.112 56.287 0.068 0.000 0.945 1636 K CB 0.045 32.578 32.500 0.056 0.000 0.732 1636 K HN -0.027 nan 8.250 nan 0.000 0.451 1637 V N 1.712 121.698 119.914 0.121 0.000 2.379 1637 V HA -0.204 3.917 4.120 0.002 0.000 0.245 1637 V C 2.011 178.278 176.094 0.288 0.000 1.044 1637 V CA 1.576 63.996 62.300 0.201 0.000 1.036 1637 V CB -0.336 31.606 31.823 0.198 0.000 0.664 1637 V HN 0.260 nan 8.190 nan 0.000 0.453 1638 K N 0.413 120.910 120.400 0.161 0.000 2.147 1638 K HA -0.107 4.214 4.320 0.002 0.000 0.205 1638 K C 2.209 178.911 176.600 0.171 0.000 1.049 1638 K CA 1.461 57.814 56.287 0.110 0.000 0.936 1638 K CB -0.315 32.184 32.500 -0.002 0.000 0.722 1638 K HN 0.486 nan 8.250 nan 0.000 0.446 1639 A N 1.057 123.961 122.820 0.140 0.000 1.970 1639 A HA 0.058 4.379 4.320 0.002 0.000 0.216 1639 A C 2.183 179.853 177.584 0.143 0.000 1.170 1639 A CA 1.294 53.401 52.037 0.118 0.000 0.645 1639 A CB -0.244 18.801 19.000 0.075 0.000 0.816 1639 A HN 0.283 nan 8.150 nan 0.000 0.447 1640 A N -1.897 121.028 122.820 0.175 0.000 2.206 1640 A HA 0.081 4.403 4.320 0.002 0.000 0.211 1640 A C 0.838 178.536 177.584 0.191 0.000 1.158 1640 A CA -0.368 51.763 52.037 0.156 0.000 0.761 1640 A CB -0.393 18.692 19.000 0.141 0.000 0.801 1640 A HN 0.661 nan 8.150 nan 0.000 0.473 1641 W N 1.593 122.935 121.300 0.070 0.000 2.223 1641 W HA 0.272 4.932 4.660 0.001 0.000 0.334 1641 W C -0.217 176.321 176.519 0.032 0.000 1.334 1641 W CA 0.680 58.070 57.345 0.075 0.000 1.246 1641 W CB 0.379 29.866 29.460 0.045 0.000 1.184 1641 W HN 0.120 nan 8.180 nan 0.000 0.563 1642 K N 4.448 124.808 120.400 -0.066 0.000 2.395 1642 K HA 0.271 4.592 4.320 0.002 0.000 0.245 1642 K C -1.750 174.879 176.600 0.050 0.000 1.017 1642 K CA -1.556 54.703 56.287 -0.046 0.000 0.852 1642 K CB 1.963 34.293 32.500 -0.283 0.000 1.311 1642 K HN 0.027 nan 8.250 nan 0.000 0.452 1643 P HA -0.102 nan 4.420 nan 0.000 0.226 1643 P C 0.081 177.410 177.300 0.048 0.000 1.153 1643 P CA 1.065 64.214 63.100 0.081 0.000 0.777 1643 P CB 0.117 31.844 31.700 0.045 0.000 0.794 1644 N N -2.148 116.547 118.700 -0.009 0.000 2.238 1644 N HA 0.024 4.766 4.740 0.002 0.000 0.222 1644 N C -0.458 175.040 175.510 -0.020 0.000 1.133 1644 N CA 0.123 53.170 53.050 -0.005 0.000 0.854 1644 N CB -0.894 37.587 38.487 -0.009 0.000 1.041 1644 N HN -0.155 nan 8.380 nan 0.000 0.510 1645 T N 1.597 116.086 114.554 -0.108 0.000 2.769 1645 T HA 0.165 4.517 4.350 0.002 0.000 0.293 1645 T C 0.941 175.511 174.700 -0.218 0.000 0.931 1645 T CA -0.166 61.755 62.100 -0.297 0.000 1.139 1645 T CB 1.298 69.568 68.868 -0.998 0.000 0.881 1645 T HN 0.066 nan 8.240 nan 0.000 0.532 1646 K N 2.343 122.635 120.400 -0.179 0.000 2.380 1646 K HA 0.335 4.656 4.320 0.002 0.000 0.198 1646 K C 0.256 176.795 176.600 -0.101 0.000 1.070 1646 K CA 0.169 56.406 56.287 -0.084 0.000 1.040 1646 K CB 0.694 33.173 32.500 -0.036 0.000 0.903 1646 K HN 0.587 nan 8.250 nan 0.000 0.549 1647 M N 0.412 119.899 119.600 -0.189 0.000 2.471 1647 M HA 0.267 4.749 4.480 0.002 0.000 0.284 1647 M C -1.902 174.285 176.300 -0.189 0.000 1.203 1647 M CA -0.654 54.560 55.300 -0.143 0.000 0.915 1647 M CB 2.339 34.868 32.600 -0.117 0.000 1.734 1647 M HN -0.297 nan 8.290 nan 0.000 0.485 1648 V N 3.348 123.219 119.914 -0.072 0.000 2.540 1648 V HA 0.458 4.579 4.120 0.002 0.000 0.302 1648 V C -1.625 174.491 176.094 0.036 0.000 1.035 1648 V CA -0.574 61.706 62.300 -0.034 0.000 0.873 1648 V CB 1.777 33.634 31.823 0.057 0.000 0.992 1648 V HN 0.766 nan 8.190 nan 0.000 0.428 1649 Y N 5.806 126.065 120.300 -0.068 0.000 2.328 1649 Y HA 0.754 5.307 4.550 0.005 0.000 0.337 1649 Y C -0.819 175.123 175.900 0.069 0.000 0.966 1649 Y CA -0.657 57.453 58.100 0.018 0.000 1.136 1649 Y CB 1.252 39.745 38.460 0.054 0.000 1.170 1649 Y HN 0.532 nan 8.280 nan 0.000 0.470 1650 L N 5.648 126.691 121.223 -0.299 0.000 2.362 1650 L HA 0.555 4.896 4.340 0.002 0.000 0.271 1650 L C -0.738 175.967 176.870 -0.275 0.000 1.002 1650 L CA -0.938 53.808 54.840 -0.157 0.000 0.818 1650 L CB 2.286 44.291 42.059 -0.089 0.000 1.298 1650 L HN 0.564 nan 8.230 nan 0.000 0.420 1651 E N 1.180 121.336 120.200 -0.072 0.000 2.179 1651 E HA 0.579 4.930 4.350 0.002 0.000 0.275 1651 E C -1.061 175.516 176.600 -0.039 0.000 0.945 1651 E CA -0.415 55.944 56.400 -0.068 0.000 0.792 1651 E CB 2.246 31.930 29.700 -0.026 0.000 1.125 1651 E HN 0.408 nan 8.360 nan 0.000 0.397 1652 S N 3.168 118.850 115.700 -0.030 0.000 2.626 1652 S HA 0.373 4.844 4.470 0.002 0.000 0.275 1652 S C -2.828 171.808 174.600 0.060 0.000 1.175 1652 S CA -1.398 56.813 58.200 0.018 0.000 0.982 1652 S CB 0.987 64.203 63.200 0.028 0.000 1.093 1652 S HN 0.161 nan 8.310 nan 0.000 0.472 1653 P HA 0.338 nan 4.420 nan 0.000 0.269 1653 P C -0.826 176.428 177.300 -0.078 0.000 1.209 1653 P CA -0.232 62.915 63.100 0.078 0.000 0.776 1653 P CB 0.444 32.227 31.700 0.140 0.000 0.876 1654 A N 2.297 125.066 122.820 -0.084 0.000 2.322 1654 A HA 0.288 4.610 4.320 0.002 0.000 0.269 1654 A C 0.328 177.657 177.584 -0.426 0.000 1.094 1654 A CA -0.276 51.647 52.037 -0.190 0.000 0.807 1654 A CB -0.161 18.815 19.000 -0.040 0.000 1.047 1654 A HN 0.551 nan 8.150 nan 0.000 0.487 1655 N N 1.576 119.967 118.700 -0.514 0.000 2.414 1655 N HA 0.367 5.108 4.740 0.002 0.000 0.256 1655 N C -2.193 173.293 175.510 -0.040 0.000 1.029 1655 N CA -2.053 50.739 53.050 -0.430 0.000 0.948 1655 N CB 1.414 39.729 38.487 -0.287 0.000 1.102 1655 N HN 0.288 nan 8.380 nan 0.000 0.496 1656 P HA 0.139 nan 4.420 nan 0.000 0.291 1656 P C 0.591 177.913 177.300 0.036 0.000 1.341 1656 P CA 0.224 63.323 63.100 -0.001 0.000 0.999 1656 P CB 0.245 31.898 31.700 -0.079 0.000 1.501 1657 T N -4.070 110.486 114.554 0.003 0.000 3.113 1657 T HA 0.007 4.359 4.350 0.002 0.000 0.256 1657 T C 1.044 175.851 174.700 0.178 0.000 1.131 1657 T CA 0.482 62.638 62.100 0.092 0.000 1.074 1657 T CB -1.531 67.388 68.868 0.087 0.000 0.944 1657 T HN 0.064 nan 8.240 nan 0.000 0.516 1658 C N 0.719 120.088 119.300 0.116 0.000 4.320 1658 C HA -0.145 4.316 4.460 0.002 0.000 0.281 1658 C C 0.706 175.880 174.990 0.307 0.000 1.432 1658 C CA 0.376 59.465 59.018 0.118 0.000 1.884 1658 C CB -2.805 24.889 27.740 -0.077 0.000 1.378 1658 C HN 0.904 nan 8.230 nan 0.000 0.771 1659 K N 0.980 121.555 120.400 0.292 0.000 2.491 1659 K HA 0.286 4.607 4.320 0.002 0.000 0.279 1659 K C -0.030 176.692 176.600 0.204 0.000 1.026 1659 K CA 0.319 56.767 56.287 0.267 0.000 1.070 1659 K CB 0.491 33.070 32.500 0.132 0.000 0.887 1659 K HN 0.311 nan 8.250 nan 0.000 0.481 1660 V N 4.154 124.201 119.914 0.223 0.000 2.481 1660 V HA 0.239 4.361 4.120 0.002 0.000 0.286 1660 V C -0.195 175.956 176.094 0.096 0.000 1.042 1660 V CA -0.519 61.883 62.300 0.171 0.000 0.928 1660 V CB 1.648 33.605 31.823 0.223 0.000 0.986 1660 V HN 0.873 nan 8.190 nan 0.000 0.462 1661 S N 2.003 117.747 115.700 0.073 0.000 2.568 1661 S HA 0.331 4.802 4.470 0.002 0.000 0.302 1661 S C -0.547 174.078 174.600 0.042 0.000 1.082 1661 S CA -0.555 57.675 58.200 0.051 0.000 1.009 1661 S CB 1.569 64.794 63.200 0.042 0.000 1.069 1661 S HN 0.854 nan 8.310 nan 0.000 0.500 1662 D N 1.911 122.331 120.400 0.033 0.000 2.435 1662 D HA 0.205 4.846 4.640 0.002 0.000 0.230 1662 D C 0.927 177.238 176.300 0.018 0.000 1.215 1662 D CA -0.122 53.892 54.000 0.024 0.000 0.947 1662 D CB -0.166 40.645 40.800 0.019 0.000 1.048 1662 D HN 0.431 nan 8.370 nan 0.000 0.512 1663 I N 2.676 123.254 120.570 0.014 0.000 2.202 1663 I HA -0.225 3.946 4.170 0.002 0.000 0.242 1663 I C 2.359 178.477 176.117 0.002 0.000 1.091 1663 I CA 0.632 61.935 61.300 0.006 0.000 1.368 1663 I CB -0.019 37.980 38.000 -0.001 0.000 1.058 1663 I HN 0.281 nan 8.210 nan 0.000 0.410 1664 K N 0.961 121.360 120.400 -0.002 0.000 2.020 1664 K HA -0.170 4.152 4.320 0.002 0.000 0.212 1664 K C 2.182 178.776 176.600 -0.009 0.000 1.050 1664 K CA 1.753 58.034 56.287 -0.010 0.000 0.929 1664 K CB -0.580 31.912 32.500 -0.013 0.000 0.714 1664 K HN 0.454 nan 8.250 nan 0.000 0.443 1665 G N 1.276 110.074 108.800 -0.004 0.000 2.433 1665 G HA2 -0.239 3.722 3.960 0.002 0.000 0.216 1665 G HA3 -0.239 3.722 3.960 0.002 0.000 0.216 1665 G C 1.503 176.401 174.900 -0.003 0.000 1.186 1665 G CA 0.894 45.990 45.100 -0.006 0.000 0.779 1665 G HN 0.172 nan 8.290 nan 0.000 0.543 1666 I N 1.513 122.091 120.570 0.014 0.000 2.286 1666 I HA -0.132 4.039 4.170 0.002 0.000 0.248 1666 I C 3.251 179.389 176.117 0.034 0.000 1.115 1666 I CA 0.821 62.141 61.300 0.034 0.000 1.392 1666 I CB -0.168 37.867 38.000 0.058 0.000 1.065 1666 I HN 0.235 nan 8.210 nan 0.000 0.418 1667 A N 0.521 123.354 122.820 0.021 0.000 1.908 1667 A HA -0.157 4.164 4.320 0.002 0.000 0.218 1667 A C 2.449 180.049 177.584 0.027 0.000 1.181 1667 A CA 1.805 53.857 52.037 0.025 0.000 0.627 1667 A CB -0.944 18.059 19.000 0.005 0.000 0.818 1667 A HN 0.241 nan 8.150 nan 0.000 0.445 1668 V N -0.321 119.592 119.914 -0.001 0.000 2.295 1668 V HA -0.241 3.881 4.120 0.002 0.000 0.246 1668 V C 2.580 178.662 176.094 -0.019 0.000 1.049 1668 V CA 1.995 64.291 62.300 -0.007 0.000 1.024 1668 V CB -0.834 30.971 31.823 -0.030 0.000 0.648 1668 V HN 0.384 nan 8.190 nan 0.000 0.447 1669 V N -0.890 118.981 119.914 -0.071 0.000 2.332 1669 V HA -0.317 3.805 4.120 0.002 0.000 0.248 1669 V C 2.531 178.491 176.094 -0.223 0.000 1.055 1669 V CA 2.321 64.499 62.300 -0.204 0.000 1.038 1669 V CB -0.865 30.812 31.823 -0.243 0.000 0.651 1669 V HN 0.646 nan 8.190 nan 0.000 0.450 1670 C N -0.783 118.501 119.300 -0.026 0.000 2.453 1670 C HA -0.173 4.288 4.460 0.002 0.000 0.277 1670 C C 2.713 177.750 174.990 0.077 0.000 1.262 1670 C CA 1.196 60.280 59.018 0.109 0.000 1.718 1670 C CB -1.377 26.462 27.740 0.165 0.000 2.031 1670 C HN 0.692 nan 8.230 nan 0.000 0.480 1671 H N 1.192 120.252 119.070 -0.017 0.000 2.319 1671 H HA -0.140 4.417 4.556 0.003 0.000 0.299 1671 H C 2.041 177.348 175.328 -0.036 0.000 1.092 1671 H CA 2.020 58.056 56.048 -0.021 0.000 1.302 1671 H CB -0.227 29.519 29.762 -0.026 0.000 1.373 1671 H HN 0.586 nan 8.280 nan 0.000 0.497 1672 E N 0.092 120.283 120.200 -0.014 0.000 2.110 1672 E HA -0.132 4.220 4.350 0.002 0.000 0.193 1672 E C 2.075 178.593 176.600 -0.136 0.000 0.988 1672 E CA 0.741 57.090 56.400 -0.084 0.000 0.804 1672 E CB 0.098 29.748 29.700 -0.084 0.000 0.745 1672 E HN 0.438 nan 8.360 nan 0.000 0.458 1673 R N -0.777 119.636 120.500 -0.145 0.000 2.397 1673 R HA 0.140 4.481 4.340 0.002 0.000 0.241 1673 R C 0.393 176.750 176.300 0.095 0.000 0.914 1673 R CA 0.413 56.457 56.100 -0.092 0.000 1.071 1673 R CB 1.147 31.218 30.300 -0.382 0.000 1.116 1673 R HN 0.155 nan 8.270 nan 0.000 0.524 1674 G N 1.179 110.001 108.800 0.037 0.000 2.291 1674 G HA2 -0.212 3.750 3.960 0.002 0.000 0.271 1674 G HA3 -0.212 3.750 3.960 0.002 0.000 0.271 1674 G C -0.288 174.682 174.900 0.117 0.000 1.099 1674 G CA 0.158 45.284 45.100 0.044 0.000 0.919 1674 G HN 0.460 nan 8.290 nan 0.000 0.496 1675 A N -0.085 122.829 122.820 0.157 0.000 2.454 1675 A HA 0.921 5.242 4.320 0.002 0.000 0.302 1675 A C 0.299 177.919 177.584 0.061 0.000 1.079 1675 A CA -0.800 51.325 52.037 0.145 0.000 0.731 1675 A CB 1.249 20.439 19.000 0.316 0.000 1.299 1675 A HN 0.487 nan 8.150 nan 0.000 0.413 1676 R N 0.053 120.538 120.500 -0.025 0.000 2.441 1676 R HA 0.428 4.770 4.340 0.002 0.000 0.284 1676 R C -1.184 175.095 176.300 -0.035 0.000 1.070 1676 R CA -0.584 55.466 56.100 -0.084 0.000 1.047 1676 R CB 1.108 31.264 30.300 -0.240 0.000 1.016 1676 R HN 0.522 nan 8.270 nan 0.000 0.477 1677 L N 3.316 124.522 121.223 -0.029 0.000 2.305 1677 L HA 0.372 4.713 4.340 0.002 0.000 0.284 1677 L C -1.150 175.689 176.870 -0.052 0.000 1.013 1677 L CA -0.473 54.357 54.840 -0.016 0.000 0.819 1677 L CB 1.870 43.934 42.059 0.008 0.000 1.227 1677 L HN 0.269 nan 8.230 nan 0.000 0.417 1678 V N 5.798 125.673 119.914 -0.065 0.000 2.448 1678 V HA 0.616 4.737 4.120 0.002 0.000 0.295 1678 V C -0.572 175.357 176.094 -0.274 0.000 1.025 1678 V CA -0.665 61.574 62.300 -0.102 0.000 0.859 1678 V CB 1.865 33.704 31.823 0.026 0.000 0.988 1678 V HN 0.513 nan 8.190 nan 0.000 0.431 1679 V N 3.243 123.003 119.914 -0.257 0.000 2.483 1679 V HA 0.377 4.498 4.120 0.002 0.000 0.297 1679 V C -0.568 175.341 176.094 -0.307 0.000 1.027 1679 V CA -0.590 61.531 62.300 -0.300 0.000 0.855 1679 V CB 1.981 33.707 31.823 -0.161 0.000 0.995 1679 V HN 0.909 nan 8.190 nan 0.000 0.424 1680 D N 4.295 124.467 120.400 -0.380 0.000 2.352 1680 D HA 0.402 5.043 4.640 0.002 0.000 0.245 1680 D C 0.589 176.783 176.300 -0.177 0.000 1.224 1680 D CA -0.034 53.832 54.000 -0.223 0.000 0.879 1680 D CB 1.827 42.576 40.800 -0.085 0.000 1.057 1680 D HN 0.648 nan 8.370 nan 0.000 0.491 1681 A N 3.263 125.904 122.820 -0.297 0.000 2.500 1681 A HA 0.109 4.431 4.320 0.002 0.000 0.267 1681 A C 1.869 179.494 177.584 0.070 0.000 1.290 1681 A CA -0.184 51.753 52.037 -0.167 0.000 0.928 1681 A CB -0.071 18.809 19.000 -0.200 0.000 1.066 1681 A HN 0.574 nan 8.150 nan 0.000 0.516 1682 T N 0.009 114.640 114.554 0.129 0.000 2.649 1682 T HA -0.232 4.120 4.350 0.002 0.000 0.268 1682 T C 1.298 176.301 174.700 0.505 0.000 1.036 1682 T CA 2.053 64.386 62.100 0.388 0.000 1.157 1682 T CB -0.451 68.597 68.868 0.300 0.000 0.861 1682 T HN 0.472 nan 8.240 nan 0.000 0.445 1683 F N 1.290 121.364 119.950 0.207 0.000 2.546 1683 F HA 0.001 4.527 4.527 -0.001 0.000 0.298 1683 F C 2.369 178.285 175.800 0.193 0.000 1.120 1683 F CA 0.721 58.870 58.000 0.248 0.000 1.456 1683 F CB -0.368 38.728 39.000 0.160 0.000 1.088 1683 F HN 0.169 nan 8.300 nan 0.000 0.572 1684 T N -2.095 112.626 114.554 0.278 0.000 2.954 1684 T HA 0.160 4.512 4.350 0.002 0.000 0.252 1684 T C 0.293 175.006 174.700 0.022 0.000 0.983 1684 T CA 0.654 62.837 62.100 0.139 0.000 0.941 1684 T CB -0.060 68.927 68.868 0.198 0.000 1.141 1684 T HN 0.226 nan 8.240 nan 0.000 0.500 1685 S N 1.705 117.462 115.700 0.095 0.000 3.493 1685 S HA -0.073 4.399 4.470 0.002 0.000 0.825 1685 S C -2.684 171.907 174.600 -0.015 0.000 1.181 1685 S CA -0.112 58.074 58.200 -0.024 0.000 1.045 1685 S CB -1.112 61.935 63.200 -0.255 0.000 0.630 1685 S HN 0.161 nan 8.310 nan 0.000 0.345 1686 P HA 0.196 nan 4.420 nan 0.000 0.242 1686 P C 1.418 178.636 177.300 -0.135 0.000 1.197 1686 P CA 0.839 63.898 63.100 -0.068 0.000 0.765 1686 P CB -0.647 30.976 31.700 -0.129 0.000 0.936 1687 C N -1.851 117.273 119.300 -0.294 0.000 2.450 1687 C HA 0.041 4.502 4.460 0.002 0.000 0.279 1687 C C 2.320 177.140 174.990 -0.284 0.000 1.335 1687 C CA 0.723 59.482 59.018 -0.431 0.000 1.749 1687 C CB -1.773 25.456 27.740 -0.852 0.000 1.963 1687 C HN 0.208 nan 8.230 nan 0.000 0.501 1688 F N -1.720 118.195 119.950 -0.058 0.000 2.711 1688 F HA 0.352 5.090 4.527 0.353 0.000 0.296 1688 F C 0.403 176.165 175.800 -0.063 0.000 1.096 1688 F CA -0.421 57.529 58.000 -0.084 0.000 1.280 1688 F CB 0.363 39.289 39.000 -0.124 0.000 1.060 1688 F HN -0.037 nan 8.300 nan 0.000 0.608 1689 L N 1.490 122.803 121.223 0.149 0.000 2.349 1689 L HA 0.423 4.764 4.340 0.002 0.000 0.278 1689 L C -0.949 175.972 176.870 0.084 0.000 0.996 1689 L CA -0.587 54.313 54.840 0.100 0.000 0.825 1689 L CB 1.345 43.469 42.059 0.108 0.000 1.243 1689 L HN -0.079 nan 8.230 nan 0.000 0.412 1690 K N 6.662 127.093 120.400 0.052 0.000 2.540 1690 K HA 0.395 4.717 4.320 0.002 0.000 0.218 1690 K C -2.036 174.578 176.600 0.023 0.000 1.017 1690 K CA -1.403 54.910 56.287 0.042 0.000 1.029 1690 K CB 1.231 33.746 32.500 0.025 0.000 1.348 1690 K HN 0.349 nan 8.250 nan 0.000 0.508 1691 P HA -0.141 nan 4.420 nan 0.000 0.218 1691 P C 0.930 178.227 177.300 -0.006 0.000 1.149 1691 P CA 0.909 64.007 63.100 -0.004 0.000 0.817 1691 P CB 0.250 31.934 31.700 -0.027 0.000 0.785 1692 L N -0.606 120.617 121.223 0.001 0.000 2.079 1692 L HA -0.197 4.145 4.340 0.002 0.000 0.210 1692 L C 2.307 179.174 176.870 -0.006 0.000 1.081 1692 L CA 1.571 56.410 54.840 -0.001 0.000 0.752 1692 L CB -1.031 41.032 42.059 0.006 0.000 0.896 1692 L HN -0.034 nan 8.230 nan 0.000 0.433 1693 E N 0.243 120.441 120.200 -0.003 0.000 2.265 1693 E HA -0.125 4.226 4.350 0.002 0.000 0.196 1693 E C 1.894 178.487 176.600 -0.013 0.000 0.996 1693 E CA 0.754 57.149 56.400 -0.008 0.000 0.832 1693 E CB -0.008 29.690 29.700 -0.004 0.000 0.756 1693 E HN 0.449 nan 8.360 nan 0.000 0.491 1694 L N -1.912 119.304 121.223 -0.012 0.000 2.607 1694 L HA 0.304 4.645 4.340 0.002 0.000 0.228 1694 L C 1.320 178.178 176.870 -0.021 0.000 1.123 1694 L CA 0.364 55.195 54.840 -0.015 0.000 0.890 1694 L CB 0.292 42.345 42.059 -0.010 0.000 1.103 1694 L HN 0.304 nan 8.230 nan 0.000 0.468 1695 G N -0.106 108.681 108.800 -0.022 0.000 2.201 1695 G HA2 -0.222 3.739 3.960 0.002 0.000 0.212 1695 G HA3 -0.222 3.739 3.960 0.002 0.000 0.212 1695 G C 0.461 175.355 174.900 -0.011 0.000 0.994 1695 G CA -0.147 44.938 45.100 -0.025 0.000 0.644 1695 G HN 0.440 nan 8.290 nan 0.000 0.508 1696 A N 0.314 123.126 122.820 -0.013 0.000 2.466 1696 A HA 0.522 4.844 4.320 0.002 0.000 0.238 1696 A C 1.135 178.709 177.584 -0.017 0.000 1.074 1696 A CA 0.987 53.014 52.037 -0.017 0.000 0.774 1696 A CB 0.268 19.250 19.000 -0.030 0.000 1.015 1696 A HN 0.227 nan 8.150 nan 0.000 0.498 1697 D N -0.007 120.376 120.400 -0.029 0.000 2.277 1697 D HA 0.180 4.822 4.640 0.002 0.000 0.209 1697 D C 0.005 176.284 176.300 -0.034 0.000 0.970 1697 D CA 1.243 55.219 54.000 -0.040 0.000 0.874 1697 D CB 0.293 41.044 40.800 -0.082 0.000 0.982 1697 D HN 0.484 nan 8.370 nan 0.000 0.504 1698 I N 0.367 120.918 120.570 -0.032 0.000 2.656 1698 I HA 0.387 4.558 4.170 0.002 0.000 0.292 1698 I C -1.251 174.858 176.117 -0.013 0.000 1.144 1698 I CA -0.782 60.518 61.300 0.001 0.000 1.038 1698 I CB 2.539 40.550 38.000 0.018 0.000 1.244 1698 I HN -0.233 nan 8.210 nan 0.000 0.420 1699 A N 6.749 129.574 122.820 0.008 0.000 2.356 1699 A HA 0.930 5.251 4.320 0.002 0.000 0.310 1699 A C -1.179 176.395 177.584 -0.016 0.000 1.075 1699 A CA -0.425 51.593 52.037 -0.032 0.000 0.746 1699 A CB 1.359 20.359 19.000 -0.001 0.000 1.221 1699 A HN 0.602 nan 8.150 nan 0.000 0.443 1700 L N -0.249 120.890 121.223 -0.139 0.000 2.359 1700 L HA 0.847 5.188 4.340 0.002 0.000 0.256 1700 L C -0.750 175.941 176.870 -0.299 0.000 1.026 1700 L CA -0.501 54.307 54.840 -0.054 0.000 0.828 1700 L CB 1.777 43.869 42.059 0.055 0.000 1.406 1700 L HN 0.671 nan 8.230 nan 0.000 0.413 1701 H N -0.492 118.654 119.070 0.127 0.000 2.974 1701 H HA 0.312 4.867 4.556 -0.002 0.000 0.366 1701 H C -1.145 174.265 175.328 0.137 0.000 1.155 1701 H CA -0.776 55.352 56.048 0.132 0.000 1.186 1701 H CB 2.292 32.136 29.762 0.138 0.000 1.799 1701 H HN 0.811 nan 8.280 nan 0.000 0.541 1702 S N 1.793 117.629 115.700 0.226 0.000 2.457 1702 S HA 0.052 4.523 4.470 0.002 0.000 0.294 1702 S C 1.308 176.011 174.600 0.173 0.000 1.201 1702 S CA -0.527 57.764 58.200 0.152 0.000 1.112 1702 S CB -0.241 62.992 63.200 0.056 0.000 1.018 1702 S HN 0.422 nan 8.310 nan 0.000 0.511 1703 V N 5.491 125.513 119.914 0.180 0.000 2.759 1703 V HA -0.113 4.009 4.120 0.002 0.000 0.256 1703 V C 2.339 178.473 176.094 0.067 0.000 1.080 1703 V CA 1.881 64.275 62.300 0.155 0.000 1.101 1703 V CB -0.932 31.005 31.823 0.190 0.000 0.698 1703 V HN 0.913 nan 8.190 nan 0.000 0.477 1704 S N -0.246 115.476 115.700 0.037 0.000 2.461 1704 S HA -0.191 4.280 4.470 0.002 0.000 0.246 1704 S C 1.487 176.060 174.600 -0.045 0.000 1.007 1704 S CA 1.204 59.399 58.200 -0.007 0.000 0.976 1704 S CB -0.179 63.010 63.200 -0.018 0.000 0.763 1704 S HN 0.542 nan 8.310 nan 0.000 0.508 1705 K N 0.717 121.089 120.400 -0.047 0.000 4.047 1705 K HA 0.320 4.642 4.320 0.002 0.000 0.172 1705 K C 1.521 178.022 176.600 -0.164 0.000 1.146 1705 K CA 0.097 56.280 56.287 -0.173 0.000 1.760 1705 K CB -1.204 31.180 32.500 -0.193 0.000 2.442 1705 K HN 0.212 nan 8.250 nan 0.000 0.539 1706 Y N 1.264 121.528 120.300 -0.060 0.000 2.181 1706 Y HA -0.099 4.472 4.550 0.035 0.000 0.288 1706 Y C 2.419 178.304 175.900 -0.026 0.000 1.146 1706 Y CA 1.095 59.145 58.100 -0.083 0.000 1.164 1706 Y CB -0.531 37.857 38.460 -0.120 0.000 0.982 1706 Y HN 0.142 nan 8.280 nan 0.000 0.515 1707 I N 0.012 120.668 120.570 0.143 0.000 2.127 1707 I HA -0.363 3.808 4.170 0.002 0.000 0.241 1707 I C 2.273 178.463 176.117 0.122 0.000 1.075 1707 I CA 2.003 63.365 61.300 0.103 0.000 1.334 1707 I CB -0.401 37.658 38.000 0.098 0.000 1.040 1707 I HN 0.260 nan 8.210 nan 0.000 0.405 1708 N N 0.465 119.221 118.700 0.094 0.000 2.135 1708 N HA -0.094 4.647 4.740 0.002 0.000 0.186 1708 N C 1.501 177.113 175.510 0.171 0.000 1.027 1708 N CA 1.754 54.856 53.050 0.086 0.000 0.849 1708 N CB -0.053 38.447 38.487 0.023 0.000 1.002 1708 N HN 0.365 nan 8.380 nan 0.000 0.425 1709 G N -1.339 107.510 108.800 0.082 0.000 2.189 1709 G HA2 -0.321 3.640 3.960 0.002 0.000 0.267 1709 G HA3 -0.321 3.640 3.960 0.002 0.000 0.267 1709 G C 0.430 175.259 174.900 -0.118 0.000 0.975 1709 G CA 1.137 46.243 45.100 0.011 0.000 0.644 1709 G HN 0.631 nan 8.290 nan 0.000 0.537 1710 H N -0.730 118.336 119.070 -0.006 0.000 2.784 1710 H HA 0.444 5.003 4.556 0.006 0.000 0.273 1710 H C 1.901 177.219 175.328 -0.016 0.000 1.112 1710 H CA 0.583 56.628 56.048 -0.005 0.000 1.162 1710 H CB 0.606 30.364 29.762 -0.006 0.000 1.586 1710 H HN 1.097 nan 8.280 nan 0.000 0.548 1711 G N 1.791 110.619 108.800 0.048 0.000 2.203 1711 G HA2 -0.340 3.621 3.960 0.002 0.000 0.263 1711 G HA3 -0.340 3.621 3.960 0.002 0.000 0.263 1711 G C 0.437 175.351 174.900 0.024 0.000 1.012 1711 G CA 0.959 46.066 45.100 0.011 0.000 0.749 1711 G HN 0.611 nan 8.290 nan 0.000 0.512 1712 D N -1.498 118.926 120.400 0.039 0.000 2.503 1712 D HA 0.417 5.058 4.640 0.002 0.000 0.218 1712 D C 0.561 176.867 176.300 0.010 0.000 1.183 1712 D CA 0.295 54.311 54.000 0.026 0.000 0.827 1712 D CB 0.455 41.276 40.800 0.035 0.000 1.034 1712 D HN 1.151 nan 8.370 nan 0.000 0.510 1713 V N -0.745 119.170 119.914 0.002 0.000 3.087 1713 V HA 0.535 4.656 4.120 0.002 0.000 0.306 1713 V C -1.858 174.229 176.094 -0.011 0.000 1.187 1713 V CA -1.050 61.243 62.300 -0.012 0.000 0.999 1713 V CB 2.482 34.283 31.823 -0.036 0.000 1.049 1713 V HN -0.011 nan 8.190 nan 0.000 0.431 1714 I N 4.603 125.170 120.570 -0.005 0.000 2.354 1714 I HA 0.883 5.054 4.170 0.002 0.000 0.292 1714 I C 0.597 176.724 176.117 0.015 0.000 0.989 1714 I CA 0.149 61.453 61.300 0.007 0.000 1.188 1714 I CB 0.868 38.879 38.000 0.018 0.000 1.342 1714 I HN 1.041 nan 8.210 nan 0.000 0.457 1715 G N 3.363 112.184 108.800 0.035 0.000 2.646 1715 G HA2 0.682 4.643 3.960 0.002 0.000 0.291 1715 G HA3 0.682 4.643 3.960 0.002 0.000 0.291 1715 G C -1.250 173.735 174.900 0.142 0.000 1.445 1715 G CA -0.589 44.552 45.100 0.069 0.000 0.814 1715 G HN 0.810 nan 8.290 nan 0.000 0.495 1716 G N -1.753 107.192 108.800 0.241 0.000 2.569 1716 G HA2 0.806 4.767 3.960 0.002 0.000 0.300 1716 G HA3 0.806 4.767 3.960 0.002 0.000 0.300 1716 G C -1.631 173.544 174.900 0.457 0.000 1.269 1716 G CA -0.725 44.563 45.100 0.314 0.000 0.959 1716 G HN 1.486 nan 8.290 nan 0.000 0.478 1717 V N -0.322 119.857 119.914 0.443 0.000 2.932 1717 V HA 0.797 4.919 4.120 0.002 0.000 0.307 1717 V C -0.827 175.511 176.094 0.407 0.000 1.147 1717 V CA -0.582 61.993 62.300 0.457 0.000 0.951 1717 V CB 2.247 34.281 31.823 0.352 0.000 1.031 1717 V HN 0.938 nan 8.190 nan 0.000 0.426 1718 S N 3.518 119.484 115.700 0.443 0.000 2.500 1718 S HA 0.826 5.297 4.470 0.002 0.000 0.301 1718 S C -0.763 173.976 174.600 0.231 0.000 1.092 1718 S CA -0.373 58.020 58.200 0.321 0.000 1.030 1718 S CB 1.728 65.146 63.200 0.364 0.000 1.031 1718 S HN 0.883 nan 8.310 nan 0.000 0.483 1719 S N 2.390 118.188 115.700 0.164 0.000 2.532 1719 S HA 0.812 5.283 4.470 0.002 0.000 0.299 1719 S C -0.699 173.958 174.600 0.095 0.000 1.105 1719 S CA -0.638 57.629 58.200 0.111 0.000 1.018 1719 S CB 1.644 64.893 63.200 0.081 0.000 1.021 1719 S HN 0.942 nan 8.310 nan 0.000 0.483 1720 A N 1.886 124.759 122.820 0.089 0.000 2.350 1720 A HA 0.625 4.946 4.320 0.002 0.000 0.324 1720 A C 0.831 178.443 177.584 0.048 0.000 1.118 1720 A CA -0.763 51.321 52.037 0.078 0.000 0.783 1720 A CB 1.046 20.118 19.000 0.120 0.000 1.236 1720 A HN 0.866 nan 8.150 nan 0.000 0.457 1721 K N 0.737 121.155 120.400 0.029 0.000 2.148 1721 K HA -0.052 4.269 4.320 0.002 0.000 0.204 1721 K C 0.768 177.382 176.600 0.024 0.000 1.050 1721 K CA 1.868 58.166 56.287 0.019 0.000 0.942 1721 K CB -0.075 32.430 32.500 0.008 0.000 0.724 1721 K HN 0.827 nan 8.250 nan 0.000 0.446 1722 T N -3.308 111.266 114.554 0.033 0.000 2.888 1722 T HA 0.580 4.931 4.350 0.002 0.000 0.284 1722 T C 0.976 175.706 174.700 0.051 0.000 1.017 1722 T CA -0.507 61.615 62.100 0.037 0.000 1.022 1722 T CB 1.852 70.742 68.868 0.036 0.000 1.013 1722 T HN 0.074 nan 8.240 nan 0.000 0.465 1723 A N 1.783 124.627 122.820 0.040 0.000 1.940 1723 A HA -0.119 4.203 4.320 0.002 0.000 0.219 1723 A C 2.253 179.872 177.584 0.059 0.000 1.176 1723 A CA 1.524 53.586 52.037 0.042 0.000 0.631 1723 A CB -0.731 18.285 19.000 0.026 0.000 0.814 1723 A HN 0.953 nan 8.150 nan 0.000 0.446 1724 E N 0.497 120.734 120.200 0.062 0.000 2.051 1724 E HA -0.227 4.125 4.350 0.002 0.000 0.192 1724 E C 1.119 177.797 176.600 0.131 0.000 0.991 1724 E CA 1.494 57.940 56.400 0.076 0.000 0.799 1724 E CB -0.733 29.006 29.700 0.065 0.000 0.748 1724 E HN 0.544 nan 8.360 nan 0.000 0.449 1725 D N 0.756 121.256 120.400 0.166 0.000 2.144 1725 D HA -0.069 4.572 4.640 0.002 0.000 0.200 1725 D C 1.947 178.424 176.300 0.295 0.000 0.978 1725 D CA 0.425 54.607 54.000 0.303 0.000 0.833 1725 D CB -0.239 40.684 40.800 0.205 0.000 0.961 1725 D HN 0.125 nan 8.370 nan 0.000 0.470 1726 I N 0.692 121.373 120.570 0.185 0.000 2.315 1726 I HA -0.112 4.060 4.170 0.002 0.000 0.248 1726 I C 1.976 178.180 176.117 0.145 0.000 1.117 1726 I CA 0.784 62.182 61.300 0.164 0.000 1.404 1726 I CB -0.378 37.688 38.000 0.110 0.000 1.071 1726 I HN -0.072 nan 8.210 nan 0.000 0.419 1727 A N -0.814 122.078 122.820 0.120 0.000 1.933 1727 A HA -0.203 4.119 4.320 0.002 0.000 0.218 1727 A C 2.324 179.992 177.584 0.140 0.000 1.175 1727 A CA 2.395 54.500 52.037 0.112 0.000 0.628 1727 A CB -1.318 17.728 19.000 0.076 0.000 0.814 1727 A HN 0.462 nan 8.150 nan 0.000 0.444 1728 T N 0.232 114.855 114.554 0.114 0.000 2.777 1728 T HA -0.053 4.298 4.350 0.002 0.000 0.266 1728 T C 1.803 176.545 174.700 0.069 0.000 1.040 1728 T CA 1.375 63.500 62.100 0.040 0.000 1.141 1728 T CB -0.375 68.441 68.868 -0.087 0.000 0.868 1728 T HN 0.423 nan 8.240 nan 0.000 0.444 1729 I N 0.844 121.469 120.570 0.091 0.000 2.163 1729 I HA -0.215 3.956 4.170 0.002 0.000 0.243 1729 I C 2.513 178.794 176.117 0.274 0.000 1.085 1729 I CA 1.464 62.869 61.300 0.175 0.000 1.347 1729 I CB -0.278 37.885 38.000 0.271 0.000 1.044 1729 I HN 0.215 nan 8.210 nan 0.000 0.408 1730 K N -0.101 120.425 120.400 0.211 0.000 2.148 1730 K HA -0.160 4.162 4.320 0.002 0.000 0.204 1730 K C 2.082 178.786 176.600 0.173 0.000 1.050 1730 K CA 1.235 57.615 56.287 0.155 0.000 0.942 1730 K CB -0.198 32.356 32.500 0.089 0.000 0.724 1730 K HN 0.150 nan 8.250 nan 0.000 0.446 1731 F N 0.525 120.519 119.950 0.073 0.000 2.134 1731 F HA -0.246 4.282 4.527 0.002 0.000 0.299 1731 F C 2.247 178.091 175.800 0.074 0.000 1.097 1731 F CA 1.323 59.357 58.000 0.055 0.000 1.264 1731 F CB -0.240 38.781 39.000 0.035 0.000 1.001 1731 F HN 0.019 nan 8.300 nan 0.000 0.479 1732 Y N 0.786 121.184 120.300 0.163 0.000 2.181 1732 Y HA -0.227 4.325 4.550 0.003 0.000 0.288 1732 Y C 2.785 178.714 175.900 0.048 0.000 1.146 1732 Y CA 2.084 60.227 58.100 0.072 0.000 1.164 1732 Y CB -0.488 37.993 38.460 0.035 0.000 0.982 1732 Y HN -0.011 nan 8.280 nan 0.000 0.515 1733 R N 0.985 121.651 120.500 0.277 0.000 2.081 1733 R HA -0.215 4.126 4.340 0.002 0.000 0.235 1733 R C 2.444 178.748 176.300 0.007 0.000 1.131 1733 R CA 1.909 58.147 56.100 0.230 0.000 0.960 1733 R CB -0.363 30.085 30.300 0.246 0.000 0.856 1733 R HN 0.362 nan 8.270 nan 0.000 0.436 1734 K N -0.040 120.319 120.400 -0.069 0.000 2.103 1734 K HA -0.181 4.140 4.320 0.002 0.000 0.207 1734 K C 0.783 177.280 176.600 -0.172 0.000 1.048 1734 K CA 2.161 58.369 56.287 -0.131 0.000 0.930 1734 K CB 0.033 32.391 32.500 -0.237 0.000 0.716 1734 K HN 0.215 nan 8.250 nan 0.000 0.444 1735 D N -0.456 119.787 120.400 -0.261 0.000 2.277 1735 D HA 0.040 4.681 4.640 0.002 0.000 0.209 1735 D C 1.632 177.761 176.300 -0.284 0.000 0.970 1735 D CA 0.986 54.822 54.000 -0.273 0.000 0.874 1735 D CB 0.149 40.759 40.800 -0.316 0.000 0.982 1735 D HN 0.333 nan 8.370 nan 0.000 0.504 1736 A N 0.088 122.681 122.820 -0.379 0.000 1.935 1736 A HA 0.374 4.695 4.320 0.002 0.000 0.214 1736 A C 1.813 179.338 177.584 -0.099 0.000 1.178 1736 A CA 1.486 53.332 52.037 -0.318 0.000 0.640 1736 A CB -0.286 18.439 19.000 -0.458 0.000 0.825 1736 A HN 0.264 nan 8.150 nan 0.000 0.447 1737 G N -0.935 107.848 108.800 -0.029 0.000 2.130 1737 G HA2 -0.167 3.794 3.960 0.002 0.000 0.216 1737 G HA3 -0.167 3.794 3.960 0.002 0.000 0.216 1737 G C 0.303 175.245 174.900 0.069 0.000 0.999 1737 G CA 0.548 45.658 45.100 0.016 0.000 0.686 1737 G HN 1.171 nan 8.290 nan 0.000 0.515 1738 S N 0.439 116.231 115.700 0.153 0.000 2.473 1738 S HA 0.688 5.160 4.470 0.002 0.000 0.312 1738 S C 0.522 175.255 174.600 0.222 0.000 1.087 1738 S CA -0.589 57.739 58.200 0.213 0.000 1.077 1738 S CB -0.121 63.255 63.200 0.294 0.000 1.065 1738 S HN 0.480 nan 8.310 nan 0.000 0.510 1739 L N 4.408 125.694 121.223 0.105 0.000 2.334 1739 L HA 0.569 4.911 4.340 0.002 0.000 0.273 1739 L C 0.321 177.216 176.870 0.040 0.000 1.013 1739 L CA -0.799 54.062 54.840 0.034 0.000 0.816 1739 L CB 1.729 43.787 42.059 -0.001 0.000 1.278 1739 L HN 0.523 nan 8.230 nan 0.000 0.431 1740 M N 2.455 122.060 119.600 0.008 0.000 2.188 1740 M HA 0.370 4.851 4.480 0.002 0.000 0.354 1740 M C 0.196 176.493 176.300 -0.005 0.000 1.342 1740 M CA -0.160 55.144 55.300 0.006 0.000 1.117 1740 M CB 0.959 33.554 32.600 -0.009 0.000 1.670 1740 M HN 0.769 nan 8.290 nan 0.000 0.466 1741 A N 7.134 129.951 122.820 -0.004 0.000 2.445 1741 A HA 0.354 4.676 4.320 0.002 0.000 0.242 1741 A C -2.011 175.578 177.584 0.008 0.000 1.075 1741 A CA -1.319 50.716 52.037 -0.003 0.000 0.777 1741 A CB -0.366 18.631 19.000 -0.004 0.000 1.013 1741 A HN 0.747 nan 8.150 nan 0.000 0.493 1742 P HA -0.214 nan 4.420 nan 0.000 0.216 1742 P C 1.617 178.965 177.300 0.079 0.000 1.153 1742 P CA 1.733 64.874 63.100 0.068 0.000 0.858 1742 P CB -0.072 31.676 31.700 0.080 0.000 0.789 1743 M N -0.095 119.529 119.600 0.040 0.000 2.108 1743 M HA -0.158 4.324 4.480 0.002 0.000 0.261 1743 M C 1.166 177.525 176.300 0.098 0.000 1.066 1743 M CA 1.909 57.242 55.300 0.054 0.000 1.107 1743 M CB -1.283 31.317 32.600 -0.001 0.000 1.356 1743 M HN -0.252 nan 8.290 nan 0.000 0.406 1744 D N 0.126 120.542 120.400 0.027 0.000 2.178 1744 D HA -0.021 4.620 4.640 0.002 0.000 0.202 1744 D C 1.994 178.229 176.300 -0.108 0.000 0.974 1744 D CA 1.623 55.605 54.000 -0.029 0.000 0.841 1744 D CB -0.349 40.422 40.800 -0.048 0.000 0.953 1744 D HN 0.524 nan 8.370 nan 0.000 0.478 1745 A N 0.229 123.000 122.820 -0.082 0.000 1.930 1745 A HA -0.127 4.194 4.320 0.002 0.000 0.217 1745 A C 2.075 179.627 177.584 -0.054 0.000 1.175 1745 A CA 0.812 52.754 52.037 -0.159 0.000 0.627 1745 A CB -0.951 18.040 19.000 -0.015 0.000 0.815 1745 A HN 0.282 nan 8.150 nan 0.000 0.443 1746 F N 0.792 120.709 119.950 -0.055 0.000 2.095 1746 F HA -0.187 4.343 4.527 0.005 0.000 0.298 1746 F C 1.817 177.583 175.800 -0.057 0.000 1.104 1746 F CA 1.983 59.974 58.000 -0.015 0.000 1.232 1746 F CB -0.271 38.736 39.000 0.011 0.000 0.987 1746 F HN 0.143 nan 8.300 nan 0.000 0.475 1747 L N -0.681 120.499 121.223 -0.071 0.000 2.093 1747 L HA -0.243 4.098 4.340 0.002 0.000 0.208 1747 L C 2.609 179.332 176.870 -0.246 0.000 1.085 1747 L CA 1.080 55.800 54.840 -0.199 0.000 0.755 1747 L CB -1.004 41.029 42.059 -0.044 0.000 0.904 1747 L HN 0.321 nan 8.230 nan 0.000 0.435 1748 C N -0.265 118.859 119.300 -0.293 0.000 2.453 1748 C HA -0.099 4.362 4.460 0.002 0.000 0.277 1748 C C 3.168 178.055 174.990 -0.172 0.000 1.262 1748 C CA 0.646 59.439 59.018 -0.375 0.000 1.718 1748 C CB -1.035 26.128 27.740 -0.962 0.000 2.031 1748 C HN 0.612 nan 8.230 nan 0.000 0.480 1749 A N 0.615 123.363 122.820 -0.120 0.000 1.908 1749 A HA -0.249 4.073 4.320 0.002 0.000 0.218 1749 A C 2.300 179.831 177.584 -0.089 0.000 1.181 1749 A CA 1.988 54.066 52.037 0.067 0.000 0.627 1749 A CB -0.677 18.350 19.000 0.046 0.000 0.818 1749 A HN 0.676 nan 8.150 nan 0.000 0.445 1750 R N -0.626 119.713 120.500 -0.268 0.000 2.066 1750 R HA -0.087 4.254 4.340 0.002 0.000 0.232 1750 R C 2.277 178.470 176.300 -0.180 0.000 1.131 1750 R CA 1.597 57.512 56.100 -0.309 0.000 0.955 1750 R CB -0.738 29.234 30.300 -0.546 0.000 0.851 1750 R HN 0.433 nan 8.270 nan 0.000 0.432 1751 G N 0.925 109.634 108.800 -0.152 0.000 2.422 1751 G HA2 -0.295 3.666 3.960 0.002 0.000 0.218 1751 G HA3 -0.295 3.666 3.960 0.002 0.000 0.218 1751 G C 1.447 176.391 174.900 0.073 0.000 1.146 1751 G CA 0.707 45.799 45.100 -0.013 0.000 0.769 1751 G HN 0.343 nan 8.290 nan 0.000 0.547 1752 M N 0.361 119.995 119.600 0.056 0.000 2.358 1752 M HA -0.007 4.474 4.480 0.002 0.000 0.264 1752 M C 2.204 178.518 176.300 0.023 0.000 1.064 1752 M CA 1.095 56.434 55.300 0.066 0.000 1.093 1752 M CB 0.017 32.686 32.600 0.114 0.000 1.401 1752 M HN 0.025 nan 8.290 nan 0.000 0.440 1753 K N -0.525 119.874 120.400 -0.001 0.000 2.147 1753 K HA -0.103 4.218 4.320 0.002 0.000 0.205 1753 K C 1.703 178.308 176.600 0.007 0.000 1.049 1753 K CA 1.929 58.206 56.287 -0.016 0.000 0.936 1753 K CB -0.936 31.540 32.500 -0.041 0.000 0.722 1753 K HN 0.538 nan 8.250 nan 0.000 0.446 1754 T N -1.154 113.424 114.554 0.039 0.000 3.086 1754 T HA 0.091 4.442 4.350 0.002 0.000 0.250 1754 T C 1.710 176.438 174.700 0.047 0.000 1.074 1754 T CA -0.218 61.913 62.100 0.052 0.000 0.988 1754 T CB -0.031 68.889 68.868 0.087 0.000 0.988 1754 T HN -0.041 nan 8.240 nan 0.000 0.530 1755 L N 2.624 123.870 121.223 0.037 0.000 1.997 1755 L HA 0.029 4.370 4.340 0.002 0.000 0.216 1755 L C -0.928 175.925 176.870 -0.029 0.000 1.074 1755 L CA 2.260 57.111 54.840 0.017 0.000 0.763 1755 L CB -1.176 40.877 42.059 -0.009 0.000 0.890 1755 L HN 0.134 nan 8.230 nan 0.000 0.434 1756 P HA -0.096 nan 4.420 nan 0.000 0.219 1756 P C 2.069 179.353 177.300 -0.026 0.000 1.150 1756 P CA 1.484 64.536 63.100 -0.081 0.000 0.814 1756 P CB -0.004 31.662 31.700 -0.057 0.000 0.787 1757 I N -0.888 119.684 120.570 0.003 0.000 2.315 1757 I HA -0.189 3.982 4.170 0.002 0.000 0.248 1757 I C 2.547 178.678 176.117 0.025 0.000 1.117 1757 I CA 1.368 62.680 61.300 0.020 0.000 1.404 1757 I CB -0.200 37.811 38.000 0.020 0.000 1.071 1757 I HN -0.187 nan 8.210 nan 0.000 0.419 1758 R N -0.449 120.071 120.500 0.033 0.000 2.075 1758 R HA -0.100 4.241 4.340 0.002 0.000 0.232 1758 R C 2.223 178.607 176.300 0.141 0.000 1.126 1758 R CA 1.170 57.293 56.100 0.038 0.000 0.963 1758 R CB -0.236 30.122 30.300 0.098 0.000 0.858 1758 R HN 0.238 nan 8.270 nan 0.000 0.435 1759 M N 0.663 120.352 119.600 0.150 0.000 2.159 1759 M HA -0.173 4.308 4.480 0.002 0.000 0.263 1759 M C 2.152 178.635 176.300 0.306 0.000 1.063 1759 M CA 1.535 56.942 55.300 0.177 0.000 1.110 1759 M CB -0.941 31.500 32.600 -0.265 0.000 1.374 1759 M HN 0.210 nan 8.290 nan 0.000 0.411 1760 Q N 0.272 120.202 119.800 0.217 0.000 2.096 1760 Q HA -0.171 4.171 4.340 0.002 0.000 0.204 1760 Q C 2.045 178.142 176.000 0.161 0.000 0.982 1760 Q CA 1.532 57.472 55.803 0.228 0.000 0.850 1760 Q CB -0.081 28.740 28.738 0.139 0.000 0.901 1760 Q HN 0.513 nan 8.270 nan 0.000 0.422 1761 I N -0.375 120.247 120.570 0.087 0.000 2.233 1761 I HA -0.282 3.889 4.170 0.002 0.000 0.243 1761 I C 2.260 178.417 176.117 0.066 0.000 1.093 1761 I CA 0.851 62.167 61.300 0.026 0.000 1.380 1761 I CB -0.562 37.398 38.000 -0.067 0.000 1.067 1761 I HN 0.270 nan 8.210 nan 0.000 0.413 1762 H N 0.490 119.643 119.070 0.139 0.000 2.289 1762 H HA -0.285 4.260 4.556 -0.018 0.000 0.294 1762 H C 2.261 177.702 175.328 0.188 0.000 1.095 1762 H CA 2.372 58.527 56.048 0.179 0.000 1.256 1762 H CB -0.523 29.363 29.762 0.208 0.000 1.359 1762 H HN 0.375 nan 8.280 nan 0.000 0.487 1763 M N 0.725 120.525 119.600 0.333 0.000 2.065 1763 M HA -0.175 4.306 4.480 0.002 0.000 0.259 1763 M C 2.062 178.460 176.300 0.163 0.000 1.069 1763 M CA 1.835 57.276 55.300 0.235 0.000 1.110 1763 M CB -0.016 32.658 32.600 0.123 0.000 1.328 1763 M HN 0.206 nan 8.290 nan 0.000 0.405 1764 E N 0.252 120.526 120.200 0.124 0.000 2.077 1764 E HA -0.180 4.171 4.350 0.002 0.000 0.193 1764 E C 1.685 178.325 176.600 0.066 0.000 0.989 1764 E CA 1.708 58.150 56.400 0.071 0.000 0.800 1764 E CB -0.323 29.409 29.700 0.053 0.000 0.746 1764 E HN 0.716 nan 8.360 nan 0.000 0.452 1765 N N 0.112 118.870 118.700 0.097 0.000 2.142 1765 N HA -0.118 4.624 4.740 0.002 0.000 0.186 1765 N C 2.084 177.683 175.510 0.149 0.000 1.023 1765 N CA 0.691 53.802 53.050 0.100 0.000 0.852 1765 N CB -0.184 38.364 38.487 0.101 0.000 0.998 1765 N HN 0.111 nan 8.380 nan 0.000 0.424 1766 G N 1.641 110.579 108.800 0.230 0.000 2.440 1766 G HA2 -0.214 3.747 3.960 0.002 0.000 0.218 1766 G HA3 -0.214 3.747 3.960 0.002 0.000 0.218 1766 G C 1.545 176.463 174.900 0.029 0.000 1.154 1766 G CA 0.446 45.744 45.100 0.331 0.000 0.767 1766 G HN 0.133 nan 8.290 nan 0.000 0.552 1767 L N -0.090 121.081 121.223 -0.087 0.000 2.046 1767 L HA -0.057 4.284 4.340 0.002 0.000 0.208 1767 L C 3.034 179.767 176.870 -0.229 0.000 1.077 1767 L CA 1.420 56.046 54.840 -0.356 0.000 0.747 1767 L CB -0.153 41.772 42.059 -0.225 0.000 0.896 1767 L HN 0.191 nan 8.230 nan 0.000 0.432 1768 K N -0.980 119.375 120.400 -0.075 0.000 2.062 1768 K HA -0.093 4.229 4.320 0.002 0.000 0.205 1768 K C 1.985 178.603 176.600 0.030 0.000 1.051 1768 K CA 1.072 57.342 56.287 -0.027 0.000 0.941 1768 K CB -0.221 32.276 32.500 -0.006 0.000 0.719 1768 K HN 0.103 nan 8.250 nan 0.000 0.440 1769 V N 1.795 121.757 119.914 0.081 0.000 2.392 1769 V HA -0.271 3.851 4.120 0.002 0.000 0.249 1769 V C 2.408 178.628 176.094 0.211 0.000 1.059 1769 V CA 2.079 64.496 62.300 0.194 0.000 1.051 1769 V CB -0.708 31.286 31.823 0.286 0.000 0.658 1769 V HN 0.354 nan 8.190 nan 0.000 0.455 1770 A N -0.322 122.502 122.820 0.006 0.000 1.902 1770 A HA -0.228 4.093 4.320 0.002 0.000 0.217 1770 A C 2.305 179.829 177.584 -0.101 0.000 1.181 1770 A CA 1.924 53.854 52.037 -0.178 0.000 0.623 1770 A CB -0.387 18.156 19.000 -0.762 0.000 0.818 1770 A HN 0.552 nan 8.150 nan 0.000 0.443 1771 K N -1.484 118.855 120.400 -0.102 0.000 2.057 1771 K HA -0.063 4.258 4.320 0.002 0.000 0.206 1771 K C 1.802 178.414 176.600 0.020 0.000 1.050 1771 K CA 1.402 57.653 56.287 -0.060 0.000 0.935 1771 K CB -0.359 32.101 32.500 -0.066 0.000 0.715 1771 K HN 0.535 nan 8.250 nan 0.000 0.439 1772 F N 2.083 122.002 119.950 -0.051 0.000 2.065 1772 F HA -0.270 4.255 4.527 -0.004 0.000 0.298 1772 F C 1.827 177.620 175.800 -0.012 0.000 1.112 1772 F CA 1.462 59.450 58.000 -0.020 0.000 1.212 1772 F CB -0.200 38.789 39.000 -0.019 0.000 0.975 1772 F HN -0.105 nan 8.300 nan 0.000 0.476 1773 L N 0.217 121.328 121.223 -0.186 0.000 2.046 1773 L HA -0.234 4.107 4.340 0.002 0.000 0.208 1773 L C 2.528 179.270 176.870 -0.214 0.000 1.077 1773 L CA 1.931 56.567 54.840 -0.341 0.000 0.747 1773 L CB -0.876 41.014 42.059 -0.282 0.000 0.896 1773 L HN 0.302 nan 8.230 nan 0.000 0.432 1774 E N 0.482 120.615 120.200 -0.112 0.000 2.153 1774 E HA -0.264 4.087 4.350 0.002 0.000 0.194 1774 E C 1.769 178.325 176.600 -0.074 0.000 0.988 1774 E CA 1.322 57.685 56.400 -0.061 0.000 0.811 1774 E CB 0.186 29.858 29.700 -0.047 0.000 0.746 1774 E HN 0.573 nan 8.360 nan 0.000 0.466 1775 Q N -0.619 119.115 119.800 -0.110 0.000 2.280 1775 Q HA 0.075 4.416 4.340 0.002 0.000 0.201 1775 Q C 0.046 175.956 176.000 -0.150 0.000 0.890 1775 Q CA 0.171 55.911 55.803 -0.105 0.000 0.947 1775 Q CB -0.002 28.688 28.738 -0.079 0.000 1.081 1775 Q HN 0.151 nan 8.270 nan 0.000 0.502 1776 H N 2.085 120.973 119.070 -0.303 0.000 2.548 1776 H HA 0.037 4.594 4.556 0.002 0.000 0.331 1776 H C 0.799 176.021 175.328 -0.177 0.000 1.093 1776 H CA 0.416 56.271 56.048 -0.322 0.000 1.367 1776 H CB 1.211 30.659 29.762 -0.522 0.000 1.455 1776 H HN 0.558 nan 8.280 nan 0.000 0.519 1777 E N 3.629 123.636 120.200 -0.320 0.000 2.209 1777 E HA -0.241 4.110 4.350 0.002 0.000 0.196 1777 E C 0.981 177.607 176.600 0.044 0.000 0.993 1777 E CA 1.262 57.585 56.400 -0.129 0.000 0.819 1777 E CB 0.081 29.669 29.700 -0.187 0.000 0.745 1777 E HN 0.348 nan 8.360 nan 0.000 0.477 1778 K N 0.043 120.604 120.400 0.267 0.000 2.365 1778 K HA 0.099 4.420 4.320 0.002 0.000 0.197 1778 K C 0.248 176.924 176.600 0.126 0.000 1.042 1778 K CA 0.190 56.597 56.287 0.201 0.000 0.987 1778 K CB 0.334 32.964 32.500 0.217 0.000 0.779 1778 K HN 0.103 nan 8.250 nan 0.000 0.484 1779 I N 1.334 121.970 120.570 0.109 0.000 2.315 1779 I HA 0.036 4.207 4.170 0.002 0.000 0.291 1779 I C 1.319 177.487 176.117 0.086 0.000 1.006 1779 I CA -0.189 61.162 61.300 0.085 0.000 1.265 1779 I CB 1.287 39.291 38.000 0.006 0.000 1.387 1779 I HN -0.192 nan 8.210 nan 0.000 0.475 1780 V N 5.482 125.463 119.914 0.111 0.000 2.379 1780 V HA -0.056 4.065 4.120 0.002 0.000 0.245 1780 V C 0.929 177.081 176.094 0.096 0.000 1.044 1780 V CA 1.445 63.800 62.300 0.092 0.000 1.036 1780 V CB -0.426 31.453 31.823 0.094 0.000 0.664 1780 V HN 0.880 nan 8.190 nan 0.000 0.453 1781 K N -0.474 120.008 120.400 0.137 0.000 2.610 1781 K HA 0.407 4.728 4.320 0.002 0.000 0.278 1781 K C -2.370 174.365 176.600 0.225 0.000 0.964 1781 K CA -0.461 55.915 56.287 0.149 0.000 0.859 1781 K CB 2.492 35.071 32.500 0.132 0.000 1.434 1781 K HN -0.086 nan 8.250 nan 0.000 0.410 1782 V N 2.627 122.672 119.914 0.218 0.000 2.483 1782 V HA 0.355 4.476 4.120 0.002 0.000 0.297 1782 V C -0.232 176.029 176.094 0.279 0.000 1.027 1782 V CA -0.857 61.617 62.300 0.289 0.000 0.855 1782 V CB 1.513 33.457 31.823 0.201 0.000 0.995 1782 V HN 0.768 nan 8.190 nan 0.000 0.424 1783 N N 3.659 122.551 118.700 0.321 0.000 3.083 1783 N HA 0.200 4.941 4.740 0.002 0.000 0.260 1783 N C -0.915 174.519 175.510 -0.126 0.000 1.163 1783 N CA -0.228 52.952 53.050 0.217 0.000 1.060 1783 N CB 0.147 38.817 38.487 0.304 0.000 1.345 1783 N HN 0.671 nan 8.380 nan 0.000 0.515 1784 H N 2.715 121.525 119.070 -0.433 0.000 2.589 1784 H HA 0.239 4.761 4.556 -0.055 0.000 0.335 1784 H C -1.993 172.885 175.328 -0.750 0.000 1.019 1784 H CA -2.059 53.632 56.048 -0.596 0.000 1.213 1784 H CB 2.069 31.396 29.762 -0.725 0.000 1.472 1784 H HN 0.259 nan 8.280 nan 0.000 0.508 1785 P HA -0.061 nan 4.420 nan 0.000 0.223 1785 P C 1.074 178.328 177.300 -0.077 0.000 1.144 1785 P CA 1.119 64.032 63.100 -0.311 0.000 0.783 1785 P CB 0.092 31.727 31.700 -0.108 0.000 0.771 1786 G N -0.881 107.714 108.800 -0.341 0.000 3.042 1786 G HA2 0.185 4.147 3.960 0.002 0.000 0.212 1786 G HA3 0.185 4.147 3.960 0.002 0.000 0.212 1786 G C 0.491 175.176 174.900 -0.358 0.000 1.166 1786 G CA -0.177 44.450 45.100 -0.787 0.000 0.767 1786 G HN 0.196 nan 8.290 nan 0.000 0.546 1787 L N 0.489 121.543 121.223 -0.283 0.000 2.375 1787 L HA 0.276 4.617 4.340 0.002 0.000 0.271 1787 L C 1.256 177.812 176.870 -0.522 0.000 1.107 1787 L CA -0.621 54.017 54.840 -0.337 0.000 0.806 1787 L CB 1.350 43.294 42.059 -0.192 0.000 1.146 1787 L HN 0.128 nan 8.230 nan 0.000 0.447 1788 E N 0.660 120.563 120.200 -0.494 0.000 2.274 1788 E HA -0.128 4.223 4.350 0.002 0.000 0.194 1788 E C 1.752 178.245 176.600 -0.178 0.000 0.996 1788 E CA 1.290 57.412 56.400 -0.463 0.000 0.840 1788 E CB 0.162 29.712 29.700 -0.250 0.000 0.772 1788 E HN 0.800 nan 8.360 nan 0.000 0.491 1789 S N 0.594 116.238 115.700 -0.093 0.000 2.446 1789 S HA -0.060 4.411 4.470 0.002 0.000 0.225 1789 S C 0.736 175.377 174.600 0.069 0.000 1.016 1789 S CA -0.338 57.858 58.200 -0.006 0.000 0.943 1789 S CB -0.443 62.759 63.200 0.004 0.000 0.786 1789 S HN 0.164 nan 8.310 nan 0.000 0.508 1790 F N 4.631 124.558 119.950 -0.037 0.000 2.543 1790 F HA 0.334 4.871 4.527 0.017 0.000 0.375 1790 F C -1.868 173.971 175.800 0.065 0.000 1.075 1790 F CA -2.279 55.738 58.000 0.028 0.000 1.225 1790 F CB 0.737 39.767 39.000 0.049 0.000 1.099 1790 F HN -0.012 nan 8.300 nan 0.000 0.561 1791 P HA -0.086 nan 4.420 nan 0.000 0.221 1791 P C 1.286 178.421 177.300 -0.274 0.000 1.145 1791 P CA 1.498 64.371 63.100 -0.379 0.000 0.795 1791 P CB 0.056 31.503 31.700 -0.423 0.000 0.775 1792 G N -1.874 106.703 108.800 -0.372 0.000 2.920 1792 G HA2 -0.164 3.797 3.960 0.002 0.000 0.208 1792 G HA3 -0.164 3.797 3.960 0.002 0.000 0.208 1792 G C 1.371 176.430 174.900 0.265 0.000 1.159 1792 G CA -0.027 45.127 45.100 0.090 0.000 0.784 1792 G HN 0.337 nan 8.290 nan 0.000 0.535 1793 H N 0.875 120.070 119.070 0.209 0.000 2.352 1793 H HA -0.110 4.437 4.556 -0.016 0.000 0.299 1793 H C 1.682 177.103 175.328 0.156 0.000 1.097 1793 H CA 1.762 57.940 56.048 0.216 0.000 1.311 1793 H CB 0.241 30.101 29.762 0.162 0.000 1.377 1793 H HN 0.231 nan 8.280 nan 0.000 0.504 1794 D N 0.142 120.584 120.400 0.069 0.000 2.144 1794 D HA -0.081 4.561 4.640 0.002 0.000 0.200 1794 D C 2.413 178.700 176.300 -0.022 0.000 0.978 1794 D CA 0.766 54.763 54.000 -0.004 0.000 0.833 1794 D CB -0.111 40.716 40.800 0.045 0.000 0.961 1794 D HN 0.441 nan 8.370 nan 0.000 0.470 1795 I N 0.631 121.212 120.570 0.018 0.000 2.233 1795 I HA -0.188 3.983 4.170 0.002 0.000 0.243 1795 I C 2.410 178.539 176.117 0.020 0.000 1.093 1795 I CA 0.913 62.226 61.300 0.021 0.000 1.380 1795 I CB -0.194 37.829 38.000 0.039 0.000 1.067 1795 I HN -0.080 nan 8.210 nan 0.000 0.413 1796 A N 0.811 123.666 122.820 0.058 0.000 1.883 1796 A HA -0.294 4.028 4.320 0.002 0.000 0.217 1796 A C 2.376 179.967 177.584 0.012 0.000 1.186 1796 A CA 2.135 54.227 52.037 0.091 0.000 0.624 1796 A CB -0.652 18.490 19.000 0.237 0.000 0.822 1796 A HN 0.370 nan 8.150 nan 0.000 0.444 1797 K N -0.372 119.982 120.400 -0.077 0.000 2.113 1797 K HA -0.228 4.093 4.320 0.002 0.000 0.208 1797 K C 2.075 178.617 176.600 -0.096 0.000 1.047 1797 K CA 2.050 58.259 56.287 -0.130 0.000 0.928 1797 K CB -0.146 32.187 32.500 -0.280 0.000 0.716 1797 K HN 0.433 nan 8.250 nan 0.000 0.446 1798 K N -0.043 120.317 120.400 -0.066 0.000 2.211 1798 K HA -0.017 4.304 4.320 0.002 0.000 0.201 1798 K C 1.659 178.236 176.600 -0.038 0.000 1.052 1798 K CA 0.914 57.175 56.287 -0.044 0.000 0.973 1798 K CB 0.360 32.843 32.500 -0.027 0.000 0.766 1798 K HN 0.195 nan 8.250 nan 0.000 0.466 1799 Q N -0.558 119.223 119.800 -0.032 0.000 2.356 1799 Q HA 0.214 4.555 4.340 0.002 0.000 0.205 1799 Q C -0.205 175.779 176.000 -0.027 0.000 0.901 1799 Q CA 0.155 55.946 55.803 -0.020 0.000 0.938 1799 Q CB 0.821 29.558 28.738 -0.002 0.000 1.081 1799 Q HN 0.235 nan 8.270 nan 0.000 0.517 1800 M N -0.146 119.415 119.600 -0.066 0.000 2.530 1800 M HA 0.243 4.724 4.480 0.002 0.000 0.307 1800 M C 0.371 176.570 176.300 -0.168 0.000 1.161 1800 M CA -0.380 54.861 55.300 -0.097 0.000 0.903 1800 M CB 1.990 34.508 32.600 -0.138 0.000 1.711 1800 M HN -0.095 nan 8.290 nan 0.000 0.451 1801 T N -2.150 112.338 114.554 -0.109 0.000 3.144 1801 T HA 0.511 4.862 4.350 0.002 0.000 0.249 1801 T C 0.518 175.010 174.700 -0.347 0.000 1.089 1801 T CA 0.218 62.245 62.100 -0.122 0.000 0.989 1801 T CB -0.072 68.816 68.868 0.034 0.000 0.992 1801 T HN 0.939 nan 8.240 nan 0.000 0.540 1802 G N -0.200 108.172 108.800 -0.714 0.000 2.340 1802 G HA2 0.502 4.463 3.960 0.002 0.000 0.299 1802 G HA3 0.502 4.463 3.960 0.002 0.000 0.299 1802 G C -2.317 171.755 174.900 -1.380 0.000 1.291 1802 G CA -1.134 43.077 45.100 -1.482 0.000 0.841 1802 G HN 0.223 nan 8.290 nan 0.000 0.500 1803 Y N -0.460 119.397 120.300 -0.739 0.000 2.477 1803 Y HA 0.641 5.012 4.550 -0.297 0.000 0.347 1803 Y C 0.980 176.851 175.900 -0.049 0.000 0.981 1803 Y CA -0.253 57.718 58.100 -0.215 0.000 1.033 1803 Y CB 2.082 40.512 38.460 -0.051 0.000 1.245 1803 Y HN 0.857 nan 8.280 nan 0.000 0.455 1804 G N 0.135 109.034 108.800 0.165 0.000 2.683 1804 G HA2 0.334 4.296 3.960 0.002 0.000 0.260 1804 G HA3 0.334 4.296 3.960 0.002 0.000 0.260 1804 G C 0.399 175.377 174.900 0.130 0.000 1.238 1804 G CA -0.125 44.974 45.100 -0.001 0.000 0.934 1804 G HN 0.748 nan 8.290 nan 0.000 0.534 1805 S N -1.892 113.930 115.700 0.204 0.000 2.663 1805 S HA 0.253 4.725 4.470 0.002 0.000 0.243 1805 S C 0.345 175.162 174.600 0.362 0.000 1.009 1805 S CA -0.299 58.117 58.200 0.360 0.000 0.988 1805 S CB 0.324 63.779 63.200 0.425 0.000 0.896 1805 S HN 0.413 nan 8.310 nan 0.000 0.502 1806 T N 3.633 118.290 114.554 0.172 0.000 2.749 1806 T HA 0.692 5.043 4.350 0.002 0.000 0.287 1806 T C -0.721 174.088 174.700 0.183 0.000 0.970 1806 T CA -0.481 61.599 62.100 -0.032 0.000 0.980 1806 T CB 0.366 68.921 68.868 -0.522 0.000 0.924 1806 T HN 0.481 nan 8.240 nan 0.000 0.456 1807 F N 1.262 121.241 119.950 0.049 0.000 2.711 1807 F HA 0.829 5.367 4.527 0.017 0.000 0.313 1807 F C -1.951 173.930 175.800 0.134 0.000 1.141 1807 F CA -1.896 56.152 58.000 0.079 0.000 0.941 1807 F CB 0.968 39.968 39.000 0.001 0.000 1.349 1807 F HN 0.419 nan 8.300 nan 0.000 0.464 1808 L N 2.364 123.735 121.223 0.245 0.000 2.334 1808 L HA 0.836 5.177 4.340 0.002 0.000 0.276 1808 L C -1.227 175.805 176.870 0.270 0.000 1.014 1808 L CA -0.705 54.183 54.840 0.080 0.000 0.815 1808 L CB 1.694 43.786 42.059 0.056 0.000 1.268 1808 L HN 0.702 nan 8.230 nan 0.000 0.428 1809 F N 0.681 120.699 119.950 0.115 0.000 2.603 1809 F HA 0.665 5.191 4.527 -0.002 0.000 0.317 1809 F C -0.747 175.110 175.800 0.094 0.000 1.066 1809 F CA -0.964 57.118 58.000 0.137 0.000 0.941 1809 F CB 1.256 40.349 39.000 0.155 0.000 1.291 1809 F HN 0.514 nan 8.300 nan 0.000 0.472 1810 E N 2.943 123.322 120.200 0.298 0.000 2.133 1810 E HA 0.368 4.720 4.350 0.002 0.000 0.274 1810 E C -0.852 175.883 176.600 0.225 0.000 0.930 1810 E CA -0.910 55.598 56.400 0.179 0.000 0.770 1810 E CB 0.967 30.750 29.700 0.139 0.000 1.104 1810 E HN 0.563 nan 8.360 nan 0.000 0.403 1811 M N 2.984 122.689 119.600 0.176 0.000 2.371 1811 M HA 0.230 4.711 4.480 0.002 0.000 0.301 1811 M C 0.860 177.231 176.300 0.117 0.000 1.173 1811 M CA 0.015 55.410 55.300 0.160 0.000 1.020 1811 M CB 0.675 33.356 32.600 0.135 0.000 1.490 1811 M HN 0.475 nan 8.290 nan 0.000 0.485 1812 K N 0.161 120.620 120.400 0.098 0.000 2.365 1812 K HA 0.019 4.341 4.320 0.002 0.000 0.197 1812 K C 0.370 177.020 176.600 0.083 0.000 1.042 1812 K CA 0.425 56.761 56.287 0.081 0.000 0.987 1812 K CB 0.262 32.803 32.500 0.067 0.000 0.779 1812 K HN 0.801 nan 8.250 nan 0.000 0.484 1813 S N -2.017 113.737 115.700 0.091 0.000 2.643 1813 S HA 0.179 4.650 4.470 0.002 0.000 0.270 1813 S C 0.194 174.881 174.600 0.145 0.000 1.166 1813 S CA -1.000 57.269 58.200 0.114 0.000 0.815 1813 S CB 0.242 63.497 63.200 0.091 0.000 1.139 1813 S HN 0.081 nan 8.310 nan 0.000 0.472 1814 F N 1.397 121.374 119.950 0.044 0.000 2.146 1814 F HA 0.046 4.574 4.527 0.002 0.000 0.298 1814 F C 2.407 178.212 175.800 0.008 0.000 1.096 1814 F CA 1.890 59.910 58.000 0.033 0.000 1.275 1814 F CB -0.109 38.909 39.000 0.029 0.000 1.008 1814 F HN 0.676 nan 8.300 nan 0.000 0.480 1815 E N 0.874 121.017 120.200 -0.095 0.000 2.058 1815 E HA -0.240 4.112 4.350 0.002 0.000 0.194 1815 E C 2.356 178.853 176.600 -0.172 0.000 0.997 1815 E CA 1.303 57.599 56.400 -0.172 0.000 0.801 1815 E CB -0.826 28.864 29.700 -0.017 0.000 0.746 1815 E HN 0.518 nan 8.360 nan 0.000 0.450 1816 A N 1.021 123.794 122.820 -0.079 0.000 1.902 1816 A HA -0.091 4.230 4.320 0.002 0.000 0.217 1816 A C 2.400 179.950 177.584 -0.057 0.000 1.181 1816 A CA 2.197 54.213 52.037 -0.035 0.000 0.623 1816 A CB -0.598 18.413 19.000 0.019 0.000 0.818 1816 A HN 0.282 nan 8.150 nan 0.000 0.443 1817 A N 0.130 122.888 122.820 -0.102 0.000 1.877 1817 A HA -0.174 4.147 4.320 0.002 0.000 0.216 1817 A C 2.148 179.603 177.584 -0.215 0.000 1.186 1817 A CA 2.065 54.040 52.037 -0.102 0.000 0.620 1817 A CB -0.530 18.436 19.000 -0.057 0.000 0.822 1817 A HN 0.593 nan 8.150 nan 0.000 0.443 1818 K N -0.060 120.059 120.400 -0.469 0.000 2.032 1818 K HA -0.235 4.087 4.320 0.002 0.000 0.209 1818 K C 2.136 178.618 176.600 -0.197 0.000 1.048 1818 K CA 2.009 58.023 56.287 -0.456 0.000 0.927 1818 K CB -0.249 31.820 32.500 -0.719 0.000 0.712 1818 K HN 0.387 nan 8.250 nan 0.000 0.441 1819 K N 0.363 120.694 120.400 -0.116 0.000 2.063 1819 K HA -0.167 4.155 4.320 0.002 0.000 0.208 1819 K C 2.218 178.906 176.600 0.146 0.000 1.048 1819 K CA 1.333 57.659 56.287 0.065 0.000 0.928 1819 K CB -0.161 32.364 32.500 0.042 0.000 0.713 1819 K HN 0.193 nan 8.250 nan 0.000 0.442 1820 L N 0.830 122.087 121.223 0.056 0.000 2.027 1820 L HA -0.082 4.259 4.340 0.002 0.000 0.206 1820 L C 1.987 178.898 176.870 0.069 0.000 1.074 1820 L CA 1.710 56.600 54.840 0.084 0.000 0.745 1820 L CB -0.362 41.754 42.059 0.095 0.000 0.898 1820 L HN 0.228 nan 8.230 nan 0.000 0.433 1821 M N -0.895 118.713 119.600 0.014 0.000 2.279 1821 M HA -0.168 4.314 4.480 0.002 0.000 0.264 1821 M C 1.582 177.853 176.300 -0.049 0.000 1.062 1821 M CA 1.522 56.817 55.300 -0.009 0.000 1.099 1821 M CB -0.219 32.355 32.600 -0.043 0.000 1.394 1821 M HN 0.320 nan 8.290 nan 0.000 0.426 1822 E N -1.429 118.708 120.200 -0.105 0.000 2.465 1822 E HA -0.024 4.328 4.350 0.002 0.000 0.191 1822 E C 0.065 176.406 176.600 -0.433 0.000 1.053 1822 E CA 0.259 56.507 56.400 -0.253 0.000 0.869 1822 E CB 0.239 29.745 29.700 -0.323 0.000 0.977 1822 E HN 0.574 nan 8.360 nan 0.000 0.483 1823 H N -0.818 118.244 119.070 -0.013 0.000 2.750 1823 H HA 0.245 4.802 4.556 0.002 0.000 0.252 1823 H C -0.603 174.725 175.328 0.001 0.000 1.176 1823 H CA -0.258 55.786 56.048 -0.006 0.000 0.987 1823 H CB 0.535 30.293 29.762 -0.007 0.000 1.810 1823 H HN -0.082 nan 8.280 nan 0.000 0.630 1824 L N 1.091 122.353 121.223 0.064 0.000 2.305 1824 L HA 0.273 4.614 4.340 0.002 0.000 0.281 1824 L C 0.916 177.803 176.870 0.029 0.000 1.085 1824 L CA -0.118 54.751 54.840 0.048 0.000 0.813 1824 L CB 1.570 43.650 42.059 0.036 0.000 1.157 1824 L HN 0.234 nan 8.230 nan 0.000 0.436 1825 K N 1.803 122.220 120.400 0.028 0.000 2.352 1825 K HA 0.104 4.425 4.320 0.002 0.000 0.194 1825 K C 1.044 177.650 176.600 0.010 0.000 1.038 1825 K CA 0.241 56.539 56.287 0.018 0.000 1.023 1825 K CB 0.765 33.278 32.500 0.020 0.000 0.840 1825 K HN 0.464 nan 8.250 nan 0.000 0.519 1826 V N 0.600 120.519 119.914 0.009 0.000 2.948 1826 V HA 0.003 4.124 4.120 0.002 0.000 0.234 1826 V C 0.868 176.966 176.094 0.006 0.000 1.205 1826 V CA 0.096 62.399 62.300 0.004 0.000 1.234 1826 V CB 0.524 32.346 31.823 -0.001 0.000 1.020 1826 V HN 0.207 nan 8.190 nan 0.000 0.491 1827 C N 2.056 121.363 119.300 0.011 0.000 2.657 1827 C HA 0.395 4.856 4.460 0.002 0.000 0.420 1827 C C 0.864 175.859 174.990 0.007 0.000 1.323 1827 C CA -0.059 58.967 59.018 0.013 0.000 1.894 1827 C CB -0.620 27.135 27.740 0.025 0.000 2.681 1827 C HN 0.474 nan 8.230 nan 0.000 0.613 1828 T N 3.723 118.279 114.554 0.003 0.000 2.794 1828 T HA 0.359 4.710 4.350 0.002 0.000 0.280 1828 T C -0.278 174.421 174.700 -0.002 0.000 0.987 1828 T CA -0.373 61.726 62.100 -0.002 0.000 0.993 1828 T CB 1.040 69.905 68.868 -0.004 0.000 0.939 1828 T HN 0.491 nan 8.240 nan 0.000 0.449 1829 L N 4.082 125.302 121.223 -0.004 0.000 2.456 1829 L HA 0.581 4.922 4.340 0.002 0.000 0.277 1829 L C -0.072 176.800 176.870 0.003 0.000 1.124 1829 L CA 0.517 55.356 54.840 -0.001 0.000 0.880 1829 L CB -1.140 40.912 42.059 -0.011 0.000 1.192 1829 L HN 0.890 nan 8.230 nan 0.000 0.463 1830 A N 3.988 126.813 122.820 0.007 0.000 2.590 1830 A HA 0.583 4.904 4.320 0.002 0.000 0.296 1830 A C -0.728 176.863 177.584 0.012 0.000 1.050 1830 A CA -0.230 51.812 52.037 0.009 0.000 0.697 1830 A CB 0.591 19.590 19.000 -0.001 0.000 1.277 1830 A HN 0.997 nan 8.150 nan 0.000 0.411 1831 V N -0.048 119.879 119.914 0.023 0.000 3.385 1831 V HA 0.876 4.997 4.120 0.002 0.000 0.301 1831 V C 0.591 176.682 176.094 -0.005 0.000 1.082 1831 V CA 0.614 62.931 62.300 0.029 0.000 1.085 1831 V CB 0.847 32.707 31.823 0.061 0.000 1.152 1831 V HN 2.867 nan 8.190 nan 0.000 0.465 1832 S N 0.213 115.902 115.700 -0.018 0.000 4.064 1832 S HA 0.024 4.495 4.470 0.002 0.000 0.651 1832 S C -0.992 173.536 174.600 -0.120 0.000 1.268 1832 S CA 0.443 58.598 58.200 -0.074 0.000 1.421 1832 S CB -1.134 62.022 63.200 -0.075 0.000 0.335 1832 S HN 2.550 nan 8.310 nan 0.000 1.550 1833 L N -1.263 119.836 121.223 -0.206 0.000 2.720 1833 L HA 0.865 5.206 4.340 0.002 0.000 0.261 1833 L C 0.937 177.499 176.870 -0.513 0.000 1.046 1833 L CA -0.022 54.619 54.840 -0.332 0.000 0.886 1833 L CB 0.948 42.762 42.059 -0.409 0.000 1.493 1833 L HN 2.184 nan 8.230 nan 0.000 0.407 1834 G N -0.716 107.624 108.800 -0.767 0.000 2.148 1834 G HA2 -0.248 3.714 3.960 0.002 0.000 0.254 1834 G HA3 -0.248 3.714 3.960 0.002 0.000 0.254 1834 G C 0.240 174.803 174.900 -0.562 0.000 0.981 1834 G CA 0.156 44.450 45.100 -1.343 0.000 0.670 1834 G HN 0.944 nan 8.290 nan 0.000 0.528 1835 C N 0.184 119.319 119.300 -0.275 0.000 2.520 1835 C HA 0.521 4.982 4.460 0.002 0.000 0.376 1835 C C 2.662 177.660 174.990 0.013 0.000 1.268 1835 C CA 0.119 59.069 59.018 -0.113 0.000 2.414 1835 C CB 0.641 28.329 27.740 -0.086 0.000 2.521 1835 C HN 1.157 nan 8.230 nan 0.000 0.618 1836 V N 1.430 121.313 119.914 -0.051 0.000 2.688 1836 V HA 0.008 4.129 4.120 0.002 0.000 0.256 1836 V C 0.750 176.832 176.094 -0.020 0.000 1.084 1836 V CA 1.820 64.084 62.300 -0.060 0.000 1.103 1836 V CB -1.105 30.602 31.823 -0.192 0.000 0.688 1836 V HN 0.923 nan 8.190 nan 0.000 0.480 1837 D N -0.594 119.800 120.400 -0.009 0.000 2.340 1837 D HA 0.263 4.905 4.640 0.002 0.000 0.243 1837 D C -0.468 175.841 176.300 0.015 0.000 0.988 1837 D CA -0.489 53.512 54.000 0.001 0.000 0.959 1837 D CB 1.575 42.372 40.800 -0.006 0.000 1.226 1837 D HN 0.123 nan 8.370 nan 0.000 0.509 1838 T N 0.973 115.538 114.554 0.018 0.000 2.832 1838 T HA 0.347 4.698 4.350 0.002 0.000 0.296 1838 T C -0.158 174.543 174.700 0.002 0.000 0.968 1838 T CA -0.433 61.680 62.100 0.022 0.000 1.107 1838 T CB 0.306 69.193 68.868 0.032 0.000 0.916 1838 T HN 0.151 nan 8.240 nan 0.000 0.517 1839 L N 3.524 124.738 121.223 -0.014 0.000 2.342 1839 L HA 0.679 5.021 4.340 0.002 0.000 0.271 1839 L C -0.239 176.617 176.870 -0.023 0.000 1.008 1839 L CA -0.785 54.040 54.840 -0.025 0.000 0.818 1839 L CB 1.637 43.666 42.059 -0.049 0.000 1.296 1839 L HN 0.636 nan 8.230 nan 0.000 0.427 1840 I N 1.547 122.111 120.570 -0.010 0.000 2.769 1840 I HA 0.535 4.707 4.170 0.002 0.000 0.298 1840 I C -1.129 174.989 176.117 0.003 0.000 1.128 1840 I CA -0.222 61.075 61.300 -0.006 0.000 1.031 1840 I CB 2.117 40.131 38.000 0.024 0.000 1.235 1840 I HN 0.648 nan 8.210 nan 0.000 0.423 1841 E N 4.986 125.187 120.200 0.002 0.000 2.423 1841 E HA 0.222 4.574 4.350 0.002 0.000 0.280 1841 E C -1.894 174.751 176.600 0.076 0.000 1.030 1841 E CA -0.598 55.828 56.400 0.044 0.000 0.812 1841 E CB 2.039 31.764 29.700 0.043 0.000 1.313 1841 E HN 0.700 nan 8.360 nan 0.000 0.456 1842 H N 3.604 122.678 119.070 0.008 0.000 2.866 1842 H HA 0.296 4.854 4.556 0.002 0.000 0.287 1842 H C -2.105 173.254 175.328 0.053 0.000 1.106 1842 H CA -2.038 54.022 56.048 0.020 0.000 1.396 1842 H CB 1.645 31.445 29.762 0.064 0.000 1.469 1842 H HN 0.183 nan 8.280 nan 0.000 0.500 1843 P HA -0.187 nan 4.420 nan 0.000 0.216 1843 P C 1.427 178.658 177.300 -0.114 0.000 1.157 1843 P CA 2.190 65.249 63.100 -0.068 0.000 0.880 1843 P CB 0.164 31.762 31.700 -0.170 0.000 0.791 1844 A N -0.153 122.450 122.820 -0.362 0.000 1.908 1844 A HA -0.206 4.115 4.320 0.002 0.000 0.218 1844 A C 2.224 179.767 177.584 -0.068 0.000 1.181 1844 A CA 2.609 54.512 52.037 -0.223 0.000 0.627 1844 A CB -1.450 17.390 19.000 -0.267 0.000 0.818 1844 A HN 0.382 nan 8.150 nan 0.000 0.445 1845 S N -2.795 112.917 115.700 0.020 0.000 2.540 1845 S HA 0.431 4.902 4.470 0.002 0.000 0.218 1845 S C 1.154 175.832 174.600 0.131 0.000 0.977 1845 S CA 0.421 58.719 58.200 0.163 0.000 0.918 1845 S CB -0.006 63.389 63.200 0.325 0.000 0.806 1845 S HN 0.465 nan 8.310 nan 0.000 0.496 1846 M N 1.064 120.730 119.600 0.110 0.000 3.130 1846 M HA 0.177 4.658 4.480 0.002 0.000 0.164 1846 M C 2.257 178.605 176.300 0.080 0.000 1.938 1846 M CA 0.884 56.244 55.300 0.099 0.000 1.581 1846 M CB -0.534 32.140 32.600 0.123 0.000 1.028 1846 M HN 0.256 nan 8.290 nan 0.000 0.599 1847 T N -1.708 112.926 114.554 0.133 0.000 2.881 1847 T HA -0.131 4.220 4.350 0.002 0.000 0.270 1847 T C 0.864 175.482 174.700 -0.136 0.000 1.068 1847 T CA 1.612 63.779 62.100 0.111 0.000 1.131 1847 T CB -0.511 68.534 68.868 0.293 0.000 0.871 1847 T HN 0.414 nan 8.240 nan 0.000 0.479 1848 H N -0.320 118.731 119.070 -0.031 0.000 2.581 1848 H HA 0.735 5.292 4.556 0.002 0.000 0.275 1848 H C 1.900 177.185 175.328 -0.071 0.000 1.126 1848 H CA -0.117 55.889 56.048 -0.071 0.000 1.097 1848 H CB 0.055 29.781 29.762 -0.059 0.000 1.626 1848 H HN 0.426 nan 8.280 nan 0.000 0.565 1849 A N 0.840 123.667 122.820 0.011 0.000 1.933 1849 A HA -0.074 4.248 4.320 0.002 0.000 0.218 1849 A C 2.272 179.836 177.584 -0.034 0.000 1.175 1849 A CA 1.680 53.714 52.037 -0.005 0.000 0.628 1849 A CB -0.559 18.442 19.000 0.002 0.000 0.814 1849 A HN 0.441 nan 8.150 nan 0.000 0.444 1850 A N -0.777 122.002 122.820 -0.068 0.000 2.218 1850 A HA 0.412 4.734 4.320 0.002 0.000 0.209 1850 A C 0.812 178.343 177.584 -0.088 0.000 1.168 1850 A CA 0.086 52.071 52.037 -0.086 0.000 0.804 1850 A CB -0.410 18.523 19.000 -0.113 0.000 0.834 1850 A HN 0.239 nan 8.150 nan 0.000 0.482 1851 V N 2.505 122.375 119.914 -0.073 0.000 2.540 1851 V HA 0.076 4.198 4.120 0.002 0.000 0.297 1851 V C -2.072 174.000 176.094 -0.037 0.000 1.024 1851 V CA -0.984 61.285 62.300 -0.052 0.000 1.105 1851 V CB 0.282 32.103 31.823 -0.003 0.000 0.938 1851 V HN 0.294 nan 8.190 nan 0.000 0.482 1852 P HA -0.037 nan 4.420 nan 0.000 0.264 1852 P C 1.048 178.335 177.300 -0.022 0.000 1.179 1852 P CA 0.091 63.170 63.100 -0.034 0.000 0.763 1852 P CB 0.466 32.147 31.700 -0.032 0.000 0.806 1853 E N 4.446 124.632 120.200 -0.023 0.000 2.130 1853 E HA -0.350 4.001 4.350 0.002 0.000 0.196 1853 E C 0.992 177.584 176.600 -0.013 0.000 0.998 1853 E CA 1.997 58.386 56.400 -0.019 0.000 0.806 1853 E CB -0.638 29.050 29.700 -0.020 0.000 0.738 1853 E HN 0.530 nan 8.360 nan 0.000 0.459 1854 N N 1.606 120.299 118.700 -0.011 0.000 2.188 1854 N HA -0.162 4.579 4.740 0.002 0.000 0.184 1854 N C 2.223 177.733 175.510 -0.000 0.000 1.018 1854 N CA 1.526 54.572 53.050 -0.006 0.000 0.858 1854 N CB -0.734 37.749 38.487 -0.006 0.000 0.989 1854 N HN 0.344 nan 8.380 nan 0.000 0.426 1855 I N 0.279 120.849 120.570 0.001 0.000 2.439 1855 I HA -0.110 4.062 4.170 0.002 0.000 0.251 1855 I C 2.659 178.782 176.117 0.011 0.000 1.139 1855 I CA 0.557 61.863 61.300 0.010 0.000 1.438 1855 I CB -0.185 37.822 38.000 0.011 0.000 1.085 1855 I HN 0.049 nan 8.210 nan 0.000 0.427 1856 M N 0.819 120.421 119.600 0.003 0.000 2.073 1856 M HA -0.249 4.232 4.480 0.002 0.000 0.258 1856 M C 2.396 178.692 176.300 -0.006 0.000 1.070 1856 M CA 1.992 57.291 55.300 -0.002 0.000 1.103 1856 M CB -0.222 32.373 32.600 -0.010 0.000 1.321 1856 M HN -0.015 nan 8.290 nan 0.000 0.405 1857 R N -0.304 120.193 120.500 -0.004 0.000 2.080 1857 R HA -0.148 4.193 4.340 0.002 0.000 0.236 1857 R C 2.192 178.493 176.300 0.002 0.000 1.137 1857 R CA 1.501 57.599 56.100 -0.003 0.000 0.943 1857 R CB -0.375 29.924 30.300 -0.002 0.000 0.846 1857 R HN 0.253 nan 8.270 nan 0.000 0.431 1858 K N 0.834 121.238 120.400 0.007 0.000 2.152 1858 K HA -0.185 4.136 4.320 0.002 0.000 0.206 1858 K C 1.995 178.603 176.600 0.013 0.000 1.048 1858 K CA 1.494 57.788 56.287 0.012 0.000 0.933 1858 K CB -0.124 32.387 32.500 0.018 0.000 0.721 1858 K HN 0.406 nan 8.250 nan 0.000 0.447 1859 Q N -1.005 118.801 119.800 0.009 0.000 2.245 1859 Q HA 0.020 4.362 4.340 0.002 0.000 0.201 1859 Q C 0.745 176.740 176.000 -0.008 0.000 0.955 1859 Q CA 0.708 56.512 55.803 0.002 0.000 0.870 1859 Q CB 0.278 29.012 28.738 -0.007 0.000 0.945 1859 Q HN 0.498 nan 8.270 nan 0.000 0.461 1860 G N 1.450 110.245 108.800 -0.008 0.000 2.182 1860 G HA2 -0.253 3.708 3.960 0.002 0.000 0.248 1860 G HA3 -0.253 3.708 3.960 0.002 0.000 0.248 1860 G C -0.103 174.783 174.900 -0.024 0.000 1.042 1860 G CA -0.173 44.923 45.100 -0.007 0.000 0.775 1860 G HN 0.266 nan 8.290 nan 0.000 0.501 1861 I N 2.010 122.552 120.570 -0.046 0.000 2.325 1861 I HA 0.490 4.662 4.170 0.002 0.000 0.291 1861 I C 0.958 177.039 176.117 -0.060 0.000 1.019 1861 I CA 0.258 61.511 61.300 -0.079 0.000 1.302 1861 I CB 1.236 39.160 38.000 -0.126 0.000 1.401 1861 I HN 0.335 nan 8.210 nan 0.000 0.485 1862 T N 2.544 117.065 114.554 -0.056 0.000 2.901 1862 T HA 0.443 4.794 4.350 0.002 0.000 0.293 1862 T C -2.347 172.344 174.700 -0.015 0.000 1.084 1862 T CA -1.980 60.105 62.100 -0.025 0.000 1.008 1862 T CB 1.971 70.846 68.868 0.011 0.000 1.170 1862 T HN 0.163 nan 8.240 nan 0.000 0.509 1863 P HA 0.085 nan 4.420 nan 0.000 0.231 1863 P C 0.592 178.146 177.300 0.424 0.000 1.158 1863 P CA 0.651 63.894 63.100 0.239 0.000 0.763 1863 P CB 0.019 31.788 31.700 0.115 0.000 0.805 1864 E N -1.126 119.203 120.200 0.215 0.000 2.478 1864 E HA 0.083 4.434 4.350 0.002 0.000 0.194 1864 E C 0.346 177.010 176.600 0.106 0.000 1.045 1864 E CA 0.128 56.638 56.400 0.184 0.000 0.868 1864 E CB -0.268 29.510 29.700 0.130 0.000 0.885 1864 E HN 0.268 nan 8.360 nan 0.000 0.505 1865 L N 0.989 122.236 121.223 0.040 0.000 2.305 1865 L HA 0.328 4.669 4.340 0.002 0.000 0.281 1865 L C -0.486 176.305 176.870 -0.131 0.000 1.085 1865 L CA -0.755 54.040 54.840 -0.075 0.000 0.813 1865 L CB 1.167 43.168 42.059 -0.096 0.000 1.157 1865 L HN -0.170 nan 8.230 nan 0.000 0.436 1866 V N 3.906 123.598 119.914 -0.369 0.000 2.540 1866 V HA 0.452 4.573 4.120 0.002 0.000 0.302 1866 V C -0.103 175.602 176.094 -0.649 0.000 1.035 1866 V CA -0.702 61.311 62.300 -0.479 0.000 0.873 1866 V CB 1.981 33.425 31.823 -0.631 0.000 0.992 1866 V HN 0.682 nan 8.190 nan 0.000 0.428 1867 R N 4.126 124.430 120.500 -0.326 0.000 2.338 1867 R HA 0.676 5.017 4.340 0.002 0.000 0.317 1867 R C -1.288 174.894 176.300 -0.197 0.000 0.968 1867 R CA -0.500 55.455 56.100 -0.241 0.000 0.849 1867 R CB 1.449 31.699 30.300 -0.083 0.000 1.128 1867 R HN 0.771 nan 8.270 nan 0.000 0.448 1868 I N 1.954 122.370 120.570 -0.258 0.000 2.530 1868 I HA 0.251 4.422 4.170 0.002 0.000 0.297 1868 I C -0.907 175.054 176.117 -0.259 0.000 1.011 1868 I CA -0.357 60.818 61.300 -0.209 0.000 1.107 1868 I CB 2.173 40.095 38.000 -0.130 0.000 1.285 1868 I HN 0.525 nan 8.210 nan 0.000 0.436 1869 S N 6.271 121.891 115.700 -0.134 0.000 2.667 1869 S HA 0.439 4.910 4.470 0.002 0.000 0.304 1869 S C -0.853 173.756 174.600 0.014 0.000 1.135 1869 S CA -0.562 57.581 58.200 -0.095 0.000 1.125 1869 S CB 0.628 63.733 63.200 -0.158 0.000 0.996 1869 S HN 0.364 nan 8.310 nan 0.000 0.474 1870 V N 5.540 125.532 119.914 0.129 0.000 2.470 1870 V HA 0.431 4.552 4.120 0.002 0.000 0.276 1870 V C 1.492 177.755 176.094 0.282 0.000 1.040 1870 V CA 0.029 62.449 62.300 0.200 0.000 1.008 1870 V CB 0.539 32.533 31.823 0.285 0.000 0.990 1870 V HN 0.883 nan 8.190 nan 0.000 0.477 1871 G N 3.946 112.851 108.800 0.174 0.000 2.489 1871 G HA2 0.404 4.365 3.960 0.002 0.000 0.271 1871 G HA3 0.404 4.365 3.960 0.002 0.000 0.271 1871 G C 0.562 175.458 174.900 -0.008 0.000 1.427 1871 G CA -0.288 44.900 45.100 0.147 0.000 1.057 1871 G HN 0.952 nan 8.290 nan 0.000 0.532 1872 I N -2.188 118.304 120.570 -0.130 0.000 3.889 1872 I HA 0.411 4.582 4.170 0.002 0.000 0.332 1872 I C -0.177 175.893 176.117 -0.078 0.000 1.493 1872 I CA -0.413 60.783 61.300 -0.173 0.000 1.158 1872 I CB 0.028 37.870 38.000 -0.264 0.000 1.117 1872 I HN 0.105 nan 8.210 nan 0.000 0.411 1873 E N 2.073 122.248 120.200 -0.041 0.000 2.425 1873 E HA 0.015 4.366 4.350 0.002 0.000 0.258 1873 E C 0.020 176.605 176.600 -0.024 0.000 1.151 1873 E CA -0.097 56.288 56.400 -0.026 0.000 0.958 1873 E CB 0.259 29.950 29.700 -0.015 0.000 0.968 1873 E HN 0.408 nan 8.360 nan 0.000 0.451 1874 N N 0.272 118.959 118.700 -0.022 0.000 2.359 1874 N HA -0.101 4.640 4.740 0.002 0.000 0.261 1874 N C 0.781 176.276 175.510 -0.026 0.000 1.267 1874 N CA 0.008 53.045 53.050 -0.022 0.000 0.864 1874 N CB 0.620 39.093 38.487 -0.022 0.000 1.063 1874 N HN 0.356 nan 8.380 nan 0.000 0.474 1875 V N 1.388 121.287 119.914 -0.024 0.000 2.332 1875 V HA -0.241 3.880 4.120 0.002 0.000 0.248 1875 V C 1.427 177.480 176.094 -0.068 0.000 1.055 1875 V CA 1.765 64.046 62.300 -0.032 0.000 1.038 1875 V CB -0.555 31.253 31.823 -0.025 0.000 0.651 1875 V HN 0.688 nan 8.190 nan 0.000 0.450 1876 D N 0.426 120.785 120.400 -0.068 0.000 2.178 1876 D HA -0.149 4.493 4.640 0.002 0.000 0.202 1876 D C 1.853 178.096 176.300 -0.096 0.000 0.974 1876 D CA 1.606 55.550 54.000 -0.093 0.000 0.841 1876 D CB -0.220 40.540 40.800 -0.067 0.000 0.953 1876 D HN 0.481 nan 8.370 nan 0.000 0.478 1877 D N 0.575 120.935 120.400 -0.066 0.000 2.144 1877 D HA -0.090 4.551 4.640 0.002 0.000 0.200 1877 D C 2.251 178.513 176.300 -0.065 0.000 0.978 1877 D CA 0.356 54.322 54.000 -0.056 0.000 0.833 1877 D CB -0.142 40.637 40.800 -0.035 0.000 0.961 1877 D HN 0.376 nan 8.370 nan 0.000 0.470 1878 I N -1.318 119.213 120.570 -0.066 0.000 2.584 1878 I HA -0.036 4.135 4.170 0.002 0.000 0.255 1878 I C 1.984 178.028 176.117 -0.122 0.000 1.145 1878 I CA 0.791 62.056 61.300 -0.059 0.000 1.462 1878 I CB -0.061 37.928 38.000 -0.018 0.000 1.102 1878 I HN -0.155 nan 8.210 nan 0.000 0.433 1879 I N 1.569 122.011 120.570 -0.213 0.000 2.226 1879 I HA -0.264 3.908 4.170 0.002 0.000 0.245 1879 I C 2.828 178.692 176.117 -0.423 0.000 1.100 1879 I CA 1.442 62.456 61.300 -0.477 0.000 1.374 1879 I CB -0.600 37.032 38.000 -0.613 0.000 1.057 1879 I HN 0.399 nan 8.210 nan 0.000 0.413 1880 A N 0.246 122.922 122.820 -0.240 0.000 1.933 1880 A HA -0.305 4.016 4.320 0.002 0.000 0.218 1880 A C 1.982 179.520 177.584 -0.077 0.000 1.175 1880 A CA 2.337 54.291 52.037 -0.139 0.000 0.628 1880 A CB -0.675 18.272 19.000 -0.087 0.000 0.814 1880 A HN 0.445 nan 8.150 nan 0.000 0.444 1881 D N -0.260 120.101 120.400 -0.064 0.000 2.117 1881 D HA -0.100 4.542 4.640 0.002 0.000 0.197 1881 D C 1.844 178.145 176.300 0.001 0.000 0.987 1881 D CA 1.199 55.187 54.000 -0.020 0.000 0.829 1881 D CB -0.203 40.589 40.800 -0.012 0.000 0.961 1881 D HN 0.413 nan 8.370 nan 0.000 0.460 1882 L N 0.066 121.282 121.223 -0.011 0.000 2.056 1882 L HA -0.122 4.219 4.340 0.002 0.000 0.207 1882 L C 2.612 179.533 176.870 0.086 0.000 1.078 1882 L CA 1.073 55.940 54.840 0.045 0.000 0.749 1882 L CB -0.404 41.703 42.059 0.079 0.000 0.901 1882 L HN 0.033 nan 8.230 nan 0.000 0.433 1883 K N 0.301 120.756 120.400 0.091 0.000 2.020 1883 K HA -0.289 4.032 4.320 0.002 0.000 0.212 1883 K C 2.175 178.844 176.600 0.116 0.000 1.050 1883 K CA 2.228 58.634 56.287 0.198 0.000 0.929 1883 K CB -0.024 32.554 32.500 0.131 0.000 0.714 1883 K HN 0.368 nan 8.250 nan 0.000 0.443 1884 Q N -0.336 119.500 119.800 0.060 0.000 2.224 1884 Q HA -0.026 4.315 4.340 0.002 0.000 0.203 1884 Q C 1.555 177.575 176.000 0.033 0.000 0.970 1884 Q CA 1.583 57.411 55.803 0.042 0.000 0.865 1884 Q CB -0.327 28.425 28.738 0.025 0.000 0.922 1884 Q HN 0.277 nan 8.270 nan 0.000 0.445 1885 A N 0.116 122.962 122.820 0.044 0.000 2.167 1885 A HA 0.175 4.496 4.320 0.002 0.000 0.214 1885 A C 1.859 179.461 177.584 0.030 0.000 1.151 1885 A CA 0.561 52.629 52.037 0.051 0.000 0.735 1885 A CB -0.265 18.784 19.000 0.083 0.000 0.802 1885 A HN 0.393 nan 8.150 nan 0.000 0.467 1886 L N -1.744 119.492 121.223 0.021 0.000 2.316 1886 L HA 0.065 4.406 4.340 0.002 0.000 0.207 1886 L C 2.202 179.106 176.870 0.056 0.000 1.070 1886 L CA 0.846 55.682 54.840 -0.007 0.000 0.820 1886 L CB -0.067 41.884 42.059 -0.179 0.000 0.992 1886 L HN 0.370 nan 8.230 nan 0.000 0.466 1887 E N -0.837 119.412 120.200 0.082 0.000 2.340 1887 E HA 0.112 4.464 4.350 0.002 0.000 0.198 1887 E C -0.165 176.454 176.600 0.031 0.000 0.961 1887 E CA -0.014 56.439 56.400 0.089 0.000 0.905 1887 E CB 0.657 30.434 29.700 0.129 0.000 0.884 1887 E HN 0.095 nan 8.360 nan 0.000 0.491 1888 L N 0.000 121.226 121.223 0.005 0.000 2.949 1888 L HA 0.000 4.341 4.340 0.002 0.000 0.249 1888 L CA 0.000 54.822 54.840 -0.030 0.000 0.813 1888 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 1888 L HN 0.000 nan 8.230 nan 0.000 0.502