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 1qpo_1_D DATA FIRST_RESID 1502 DATA SEQUENCE GLSDWELAAA RAAIARGLDE DLRYGPDVTT LATVPASATT TASLVTREAG DATA SEQUENCE VVAGLDVALL TLNEVLGTNG YRVLDRVEDG ARVPPGEALM TLEAQTRGLL DATA SEQUENCE TAERTMLNLV GHLSGIATAT AAWVDAVRGT KAKIRDTRKT LPGLRALQKY DATA SEQUENCE AVRTGGGVNH RLGLGDAALI KDNHVAAAGS VVDALRAVRN AAPDLPCEVE DATA SEQUENCE VDSLEQLDAV LPEKPELILL DNFAVWQTQT AVQRRDSRAP TVMLESSGGL DATA SEQUENCE SLQTAATYAE TGVDYLAVGA LTHSVRVLDI GLDM 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 1502 G HA2 0.000 nan 3.960 nan 0.000 0.244 1502 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 1502 G C 0.000 174.889 174.900 -0.018 0.000 0.946 1502 G CA 0.000 45.145 45.100 0.075 0.000 0.502 1503 L N 3.301 124.408 121.223 -0.194 0.000 2.416 1503 L HA 0.454 4.793 4.340 -0.001 0.000 0.272 1503 L C 1.405 178.204 176.870 -0.119 0.000 1.161 1503 L CA -0.179 54.481 54.840 -0.301 0.000 0.845 1503 L CB 1.344 43.196 42.059 -0.345 0.000 1.119 1503 L HN 0.497 nan 8.230 nan 0.000 0.464 1504 S N 0.940 116.595 115.700 -0.075 0.000 2.607 1504 S HA 0.167 4.636 4.470 -0.001 0.000 0.272 1504 S C 0.528 175.133 174.600 0.007 0.000 1.166 1504 S CA -0.501 57.703 58.200 0.006 0.000 1.021 1504 S CB 0.893 64.135 63.200 0.069 0.000 1.113 1504 S HN 0.626 nan 8.310 nan 0.000 0.531 1505 D N 0.272 120.710 120.400 0.063 0.000 2.078 1505 D HA -0.083 4.556 4.640 -0.001 0.000 0.193 1505 D C 1.599 177.980 176.300 0.136 0.000 0.990 1505 D CA 1.520 55.568 54.000 0.080 0.000 0.827 1505 D CB -0.373 40.482 40.800 0.092 0.000 0.975 1505 D HN 0.720 nan 8.370 nan 0.000 0.451 1506 W N 1.834 123.121 121.300 -0.021 0.000 2.342 1506 W HA -0.230 4.429 4.660 -0.001 0.000 0.297 1506 W C 1.370 177.872 176.519 -0.028 0.000 1.213 1506 W CA 1.174 58.508 57.345 -0.019 0.000 1.251 1506 W CB 0.042 29.496 29.460 -0.011 0.000 1.136 1506 W HN 0.065 nan 8.180 nan 0.000 0.526 1507 E N 0.350 120.396 120.200 -0.257 0.000 2.072 1507 E HA -0.235 4.114 4.350 -0.001 0.000 0.190 1507 E C 2.282 178.689 176.600 -0.320 0.000 0.982 1507 E CA 0.939 57.070 56.400 -0.449 0.000 0.803 1507 E CB -0.498 29.000 29.700 -0.338 0.000 0.755 1507 E HN 0.118 nan 8.360 nan 0.000 0.453 1508 L N 0.940 122.053 121.223 -0.184 0.000 2.042 1508 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 1508 L C 2.291 179.092 176.870 -0.115 0.000 1.076 1508 L CA 1.871 56.632 54.840 -0.133 0.000 0.749 1508 L CB -1.079 40.939 42.059 -0.069 0.000 0.893 1508 L HN 0.092 nan 8.230 nan 0.000 0.432 1509 A N -0.602 122.167 122.820 -0.085 0.000 1.873 1509 A HA -0.113 4.206 4.320 -0.001 0.000 0.215 1509 A C 2.481 179.995 177.584 -0.117 0.000 1.186 1509 A CA 1.733 53.744 52.037 -0.043 0.000 0.616 1509 A CB -0.705 18.341 19.000 0.077 0.000 0.823 1509 A HN 0.472 nan 8.150 nan 0.000 0.442 1510 A N -0.027 122.620 122.820 -0.288 0.000 1.877 1510 A HA 0.136 4.455 4.320 -0.001 0.000 0.216 1510 A C 2.532 179.981 177.584 -0.225 0.000 1.186 1510 A CA 2.245 54.067 52.037 -0.358 0.000 0.620 1510 A CB -1.132 17.443 19.000 -0.709 0.000 0.822 1510 A HN 1.075 nan 8.150 nan 0.000 0.443 1511 A N -0.075 122.613 122.820 -0.221 0.000 1.865 1511 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 1511 A C 2.250 179.772 177.584 -0.104 0.000 1.191 1511 A CA 1.767 53.711 52.037 -0.156 0.000 0.623 1511 A CB -0.567 18.335 19.000 -0.162 0.000 0.826 1511 A HN 0.560 nan 8.150 nan 0.000 0.444 1512 R N -0.671 119.777 120.500 -0.087 0.000 2.105 1512 R HA -0.109 4.230 4.340 -0.001 0.000 0.239 1512 R C 2.460 178.733 176.300 -0.046 0.000 1.135 1512 R CA 1.237 57.304 56.100 -0.054 0.000 0.967 1512 R CB -0.479 29.799 30.300 -0.037 0.000 0.861 1512 R HN 0.543 nan 8.270 nan 0.000 0.442 1513 A N 1.185 123.974 122.820 -0.052 0.000 1.898 1513 A HA -0.069 4.250 4.320 -0.001 0.000 0.216 1513 A C 2.375 179.933 177.584 -0.042 0.000 1.181 1513 A CA 1.545 53.560 52.037 -0.037 0.000 0.620 1513 A CB -0.597 18.386 19.000 -0.028 0.000 0.819 1513 A HN 0.387 nan 8.150 nan 0.000 0.442 1514 A N 0.533 123.316 122.820 -0.062 0.000 1.877 1514 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 1514 A C 2.124 179.680 177.584 -0.047 0.000 1.186 1514 A CA 1.797 53.799 52.037 -0.058 0.000 0.620 1514 A CB -0.805 18.150 19.000 -0.075 0.000 0.822 1514 A HN 1.141 nan 8.150 nan 0.000 0.443 1515 I N -1.219 119.321 120.570 -0.049 0.000 2.286 1515 I HA -0.089 4.080 4.170 -0.001 0.000 0.248 1515 I C 2.290 178.389 176.117 -0.030 0.000 1.115 1515 I CA 1.757 63.033 61.300 -0.040 0.000 1.392 1515 I CB -0.754 37.221 38.000 -0.042 0.000 1.065 1515 I HN 0.188 nan 8.210 nan 0.000 0.418 1516 A N 1.272 124.075 122.820 -0.028 0.000 1.883 1516 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 1516 A C 2.506 180.078 177.584 -0.018 0.000 1.186 1516 A CA 1.981 54.006 52.037 -0.021 0.000 0.624 1516 A CB -0.759 18.231 19.000 -0.018 0.000 0.822 1516 A HN 0.549 nan 8.150 nan 0.000 0.444 1517 R N -0.983 119.504 120.500 -0.021 0.000 2.081 1517 R HA -0.099 4.240 4.340 -0.001 0.000 0.235 1517 R C 2.408 178.700 176.300 -0.014 0.000 1.131 1517 R CA 1.107 57.197 56.100 -0.017 0.000 0.960 1517 R CB -0.649 29.640 30.300 -0.019 0.000 0.856 1517 R HN 0.542 nan 8.270 nan 0.000 0.436 1518 G N 1.237 110.026 108.800 -0.019 0.000 2.421 1518 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.216 1518 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.216 1518 G C 1.457 176.354 174.900 -0.005 0.000 1.171 1518 G CA 0.409 45.501 45.100 -0.015 0.000 0.775 1518 G HN 0.124 nan 8.290 nan 0.000 0.543 1519 L N 0.250 121.467 121.223 -0.009 0.000 2.093 1519 L HA -0.042 4.298 4.340 -0.001 0.000 0.208 1519 L C 2.538 179.408 176.870 0.000 0.000 1.085 1519 L CA 1.354 56.192 54.840 -0.004 0.000 0.755 1519 L CB -0.312 41.742 42.059 -0.010 0.000 0.904 1519 L HN 0.220 nan 8.230 nan 0.000 0.435 1520 D N 0.175 120.572 120.400 -0.006 0.000 2.117 1520 D HA -0.211 4.429 4.640 -0.001 0.000 0.197 1520 D C 2.015 178.316 176.300 0.001 0.000 0.987 1520 D CA 1.275 55.268 54.000 -0.013 0.000 0.829 1520 D CB 0.152 40.940 40.800 -0.020 0.000 0.961 1520 D HN 0.278 nan 8.370 nan 0.000 0.460 1521 E N -0.324 119.889 120.200 0.022 0.000 2.118 1521 E HA -0.175 4.175 4.350 -0.001 0.000 0.195 1521 E C 1.415 178.087 176.600 0.121 0.000 0.992 1521 E CA 1.172 57.612 56.400 0.067 0.000 0.804 1521 E CB -0.004 29.727 29.700 0.052 0.000 0.741 1521 E HN 0.327 nan 8.360 nan 0.000 0.458 1522 D N -0.091 120.354 120.400 0.076 0.000 2.234 1522 D HA -0.011 4.628 4.640 -0.001 0.000 0.205 1522 D C 1.458 177.820 176.300 0.103 0.000 0.962 1522 D CA 0.668 54.720 54.000 0.088 0.000 0.855 1522 D CB 0.281 41.106 40.800 0.042 0.000 0.951 1522 D HN 0.108 nan 8.370 nan 0.000 0.500 1523 L N -0.241 121.016 121.223 0.057 0.000 2.640 1523 L HA 0.265 4.604 4.340 -0.001 0.000 0.230 1523 L C 2.110 178.967 176.870 -0.020 0.000 1.123 1523 L CA -0.134 54.724 54.840 0.031 0.000 0.900 1523 L CB 0.195 42.257 42.059 0.006 0.000 1.146 1523 L HN -0.132 nan 8.230 nan 0.000 0.484 1524 R N 0.566 121.017 120.500 -0.081 0.000 2.127 1524 R HA -0.188 4.151 4.340 -0.001 0.000 0.238 1524 R C 0.918 176.892 176.300 -0.543 0.000 1.134 1524 R CA 1.705 57.603 56.100 -0.337 0.000 0.975 1524 R CB -0.051 29.951 30.300 -0.497 0.000 0.865 1524 R HN 0.323 nan 8.270 nan 0.000 0.447 1525 Y N -0.193 120.104 120.300 -0.005 0.000 2.583 1525 Y HA 0.390 4.939 4.550 -0.001 0.000 0.294 1525 Y C 0.811 176.709 175.900 -0.004 0.000 1.170 1525 Y CA 0.271 58.368 58.100 -0.004 0.000 1.265 1525 Y CB 0.586 39.043 38.460 -0.004 0.000 1.119 1525 Y HN 0.321 nan 8.280 nan 0.000 0.522 1526 G N 0.619 109.439 108.800 0.033 0.000 2.541 1526 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.686 1526 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.686 1526 G C -2.888 172.036 174.900 0.040 0.000 1.286 1526 G CA -1.274 43.845 45.100 0.032 0.000 0.894 1526 G HN 0.003 nan 8.290 nan 0.000 0.575 1527 P HA 0.311 nan 4.420 nan 0.000 0.275 1527 P C -0.668 176.649 177.300 0.029 0.000 1.266 1527 P CA -0.261 62.853 63.100 0.023 0.000 0.793 1527 P CB 0.678 32.386 31.700 0.014 0.000 1.074 1528 D N 0.448 120.861 120.400 0.022 0.000 2.441 1528 D HA -0.021 4.619 4.640 -0.001 0.000 0.243 1528 D C 1.302 177.611 176.300 0.015 0.000 1.257 1528 D CA -0.053 53.958 54.000 0.019 0.000 1.027 1528 D CB -0.377 40.431 40.800 0.014 0.000 1.084 1528 D HN -0.006 nan 8.370 nan 0.000 0.514 1529 V N 3.554 123.478 119.914 0.017 0.000 2.469 1529 V HA -0.219 3.900 4.120 -0.001 0.000 0.251 1529 V C 2.079 178.179 176.094 0.010 0.000 1.064 1529 V CA 2.669 64.977 62.300 0.014 0.000 1.066 1529 V CB -0.405 31.428 31.823 0.016 0.000 0.667 1529 V HN 0.666 nan 8.190 nan 0.000 0.461 1530 T N -0.889 113.670 114.554 0.008 0.000 2.857 1530 T HA -0.188 4.161 4.350 -0.001 0.000 0.266 1530 T C 2.032 176.735 174.700 0.005 0.000 1.048 1530 T CA 2.594 64.697 62.100 0.006 0.000 1.139 1530 T CB -0.555 68.315 68.868 0.004 0.000 0.874 1530 T HN 0.826 nan 8.240 nan 0.000 0.455 1531 T N 0.060 114.617 114.554 0.006 0.000 2.904 1531 T HA 0.032 4.381 4.350 -0.001 0.000 0.267 1531 T C 1.942 176.646 174.700 0.006 0.000 1.059 1531 T CA 0.770 62.873 62.100 0.005 0.000 1.137 1531 T CB -0.517 68.353 68.868 0.005 0.000 0.879 1531 T HN 0.248 nan 8.240 nan 0.000 0.467 1532 L N 1.662 122.889 121.223 0.007 0.000 2.046 1532 L HA 0.228 4.567 4.340 -0.001 0.000 0.208 1532 L C 3.100 179.974 176.870 0.006 0.000 1.077 1532 L CA 1.767 56.611 54.840 0.007 0.000 0.747 1532 L CB -1.193 40.871 42.059 0.008 0.000 0.896 1532 L HN 0.462 nan 8.230 nan 0.000 0.432 1533 A N -1.409 121.415 122.820 0.006 0.000 1.929 1533 A HA -0.138 4.182 4.320 -0.001 0.000 0.216 1533 A C 2.324 179.911 177.584 0.004 0.000 1.176 1533 A CA 1.924 53.964 52.037 0.005 0.000 0.628 1533 A CB -0.778 18.225 19.000 0.005 0.000 0.816 1533 A HN 0.506 nan 8.150 nan 0.000 0.444 1534 T N -3.599 110.958 114.554 0.004 0.000 3.040 1534 T HA 0.288 4.637 4.350 -0.001 0.000 0.252 1534 T C 0.517 175.220 174.700 0.004 0.000 1.064 1534 T CA 0.613 62.715 62.100 0.004 0.000 1.110 1534 T CB -0.385 68.485 68.868 0.003 0.000 0.921 1534 T HN 0.742 nan 8.240 nan 0.000 0.480 1535 V N 3.349 123.266 119.914 0.005 0.000 2.448 1535 V HA 0.622 4.741 4.120 -0.001 0.000 0.295 1535 V C -2.926 173.171 176.094 0.006 0.000 1.025 1535 V CA -2.834 59.469 62.300 0.005 0.000 0.859 1535 V CB 1.966 33.792 31.823 0.005 0.000 0.988 1535 V HN 0.076 nan 8.190 nan 0.000 0.431 1536 P HA 0.178 nan 4.420 nan 0.000 0.269 1536 P C 0.625 177.929 177.300 0.007 0.000 1.215 1536 P CA 0.236 63.339 63.100 0.006 0.000 0.780 1536 P CB 1.489 33.192 31.700 0.006 0.000 0.898 1537 A N 2.516 125.340 122.820 0.007 0.000 2.019 1537 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 1537 A C 2.058 179.648 177.584 0.009 0.000 1.164 1537 A CA 1.948 53.990 52.037 0.008 0.000 0.644 1537 A CB -1.418 17.587 19.000 0.008 0.000 0.805 1537 A HN 0.652 nan 8.150 nan 0.000 0.449 1538 S N -0.347 115.358 115.700 0.008 0.000 2.562 1538 S HA 0.464 4.934 4.470 -0.001 0.000 0.221 1538 S C 0.996 175.602 174.600 0.010 0.000 0.975 1538 S CA 0.261 58.466 58.200 0.009 0.000 0.918 1538 S CB -0.632 62.572 63.200 0.007 0.000 0.772 1538 S HN 0.833 nan 8.310 nan 0.000 0.531 1539 A N 1.325 124.151 122.820 0.010 0.000 2.483 1539 A HA 0.536 4.855 4.320 -0.001 0.000 0.238 1539 A C 0.288 177.880 177.584 0.013 0.000 1.070 1539 A CA 0.133 52.176 52.037 0.010 0.000 0.770 1539 A CB 0.087 19.092 19.000 0.009 0.000 1.008 1539 A HN 0.321 nan 8.150 nan 0.000 0.497 1540 T N 1.100 115.662 114.554 0.014 0.000 2.933 1540 T HA 0.703 5.053 4.350 -0.001 0.000 0.305 1540 T C -0.400 174.310 174.700 0.017 0.000 1.092 1540 T CA -0.104 62.007 62.100 0.018 0.000 1.008 1540 T CB 1.801 70.680 68.868 0.019 0.000 1.102 1540 T HN 0.986 nan 8.240 nan 0.000 0.469 1541 T N -0.139 114.427 114.554 0.019 0.000 2.838 1541 T HA 0.705 5.054 4.350 -0.001 0.000 0.292 1541 T C -0.744 173.968 174.700 0.021 0.000 1.113 1541 T CA -0.882 61.227 62.100 0.017 0.000 1.008 1541 T CB 1.714 70.589 68.868 0.012 0.000 1.259 1541 T HN 0.409 nan 8.240 nan 0.000 0.520 1542 T N 1.191 115.755 114.554 0.017 0.000 2.794 1542 T HA 0.773 5.122 4.350 -0.001 0.000 0.280 1542 T C -0.493 174.216 174.700 0.014 0.000 0.987 1542 T CA -0.506 61.606 62.100 0.019 0.000 0.993 1542 T CB 1.103 69.981 68.868 0.017 0.000 0.939 1542 T HN 1.015 nan 8.240 nan 0.000 0.449 1543 A N 2.302 125.130 122.820 0.013 0.000 2.498 1543 A HA 0.868 5.187 4.320 -0.001 0.000 0.298 1543 A C -0.593 176.994 177.584 0.006 0.000 1.075 1543 A CA -0.749 51.292 52.037 0.006 0.000 0.714 1543 A CB 1.756 20.756 19.000 -0.000 0.000 1.299 1543 A HN 0.662 nan 8.150 nan 0.000 0.407 1544 S N 0.703 116.405 115.700 0.003 0.000 2.536 1544 S HA 0.603 5.072 4.470 -0.001 0.000 0.287 1544 S C -1.036 173.564 174.600 -0.001 0.000 1.101 1544 S CA -0.568 57.634 58.200 0.003 0.000 0.950 1544 S CB 1.259 64.463 63.200 0.006 0.000 1.056 1544 S HN 0.550 nan 8.310 nan 0.000 0.481 1545 L N 3.497 124.720 121.223 -0.001 0.000 2.260 1545 L HA 0.526 4.865 4.340 -0.001 0.000 0.289 1545 L C -0.136 176.735 176.870 0.002 0.000 1.057 1545 L CA -0.212 54.627 54.840 -0.002 0.000 0.811 1545 L CB 0.798 42.855 42.059 -0.004 0.000 1.184 1545 L HN 0.555 nan 8.230 nan 0.000 0.429 1546 V N 3.022 122.938 119.914 0.002 0.000 2.656 1546 V HA 0.648 4.768 4.120 -0.001 0.000 0.307 1546 V C 0.246 176.343 176.094 0.004 0.000 1.051 1546 V CA -0.473 61.829 62.300 0.004 0.000 0.893 1546 V CB 2.144 33.969 31.823 0.004 0.000 0.999 1546 V HN 0.870 nan 8.190 nan 0.000 0.426 1547 T N 3.317 117.874 114.554 0.005 0.000 2.913 1547 T HA 0.445 4.794 4.350 -0.001 0.000 0.297 1547 T C 0.591 175.293 174.700 0.004 0.000 1.029 1547 T CA -0.323 61.779 62.100 0.005 0.000 1.104 1547 T CB 1.189 70.060 68.868 0.004 0.000 0.964 1547 T HN 0.790 nan 8.240 nan 0.000 0.532 1548 R N 0.399 120.902 120.500 0.004 0.000 2.362 1548 R HA 0.232 4.571 4.340 -0.001 0.000 0.227 1548 R C 0.596 176.898 176.300 0.003 0.000 0.905 1548 R CA 0.097 56.199 56.100 0.004 0.000 1.067 1548 R CB 0.272 30.575 30.300 0.004 0.000 1.078 1548 R HN 0.926 nan 8.270 nan 0.000 0.516 1549 E N -1.713 118.489 120.200 0.003 0.000 2.449 1549 E HA 0.609 4.959 4.350 -0.001 0.000 0.278 1549 E C -1.422 175.179 176.600 0.001 0.000 0.992 1549 E CA -1.263 55.138 56.400 0.002 0.000 0.807 1549 E CB 1.067 30.768 29.700 0.002 0.000 1.350 1549 E HN -0.068 nan 8.360 nan 0.000 0.462 1550 A N 0.232 123.052 122.820 -0.001 0.000 2.340 1550 A HA 0.802 5.121 4.320 -0.001 0.000 0.268 1550 A C 0.364 177.947 177.584 -0.002 0.000 1.100 1550 A CA 0.573 52.609 52.037 -0.001 0.000 0.803 1550 A CB 0.656 19.654 19.000 -0.003 0.000 1.043 1550 A HN 0.927 nan 8.150 nan 0.000 0.488 1551 G N -1.029 107.770 108.800 -0.002 0.000 2.335 1551 G HA2 0.478 4.437 3.960 -0.001 0.000 0.291 1551 G HA3 0.478 4.437 3.960 -0.001 0.000 0.291 1551 G C -1.630 173.267 174.900 -0.005 0.000 1.261 1551 G CA -0.017 45.081 45.100 -0.004 0.000 0.871 1551 G HN 1.179 nan 8.290 nan 0.000 0.491 1552 V N 0.450 120.359 119.914 -0.008 0.000 2.417 1552 V HA 0.630 4.749 4.120 -0.001 0.000 0.291 1552 V C 0.332 176.419 176.094 -0.012 0.000 1.024 1552 V CA -0.752 61.541 62.300 -0.012 0.000 0.861 1552 V CB 1.238 33.050 31.823 -0.018 0.000 0.985 1552 V HN 0.998 nan 8.190 nan 0.000 0.436 1553 V N 5.043 124.954 119.914 -0.005 0.000 2.546 1553 V HA 0.902 5.021 4.120 -0.001 0.000 0.284 1553 V C 0.210 176.308 176.094 0.007 0.000 1.050 1553 V CA 0.335 62.638 62.300 0.004 0.000 0.981 1553 V CB 1.156 32.987 31.823 0.013 0.000 0.990 1553 V HN 1.224 nan 8.190 nan 0.000 0.474 1554 A N 4.256 127.090 122.820 0.024 0.000 2.547 1554 A HA 0.766 5.085 4.320 -0.001 0.000 0.297 1554 A C 0.490 178.143 177.584 0.116 0.000 1.056 1554 A CA 0.012 52.085 52.037 0.060 0.000 0.688 1554 A CB 1.468 20.464 19.000 -0.007 0.000 1.282 1554 A HN 2.397 nan 8.150 nan 0.000 0.400 1555 G N 0.010 108.934 108.800 0.207 0.000 2.157 1555 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.239 1555 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.239 1555 G C 0.647 175.581 174.900 0.057 0.000 0.982 1555 G CA 0.437 45.616 45.100 0.130 0.000 0.650 1555 G HN 1.137 nan 8.290 nan 0.000 0.527 1556 L N 1.284 122.543 121.223 0.060 0.000 2.079 1556 L HA 0.038 4.377 4.340 -0.001 0.000 0.210 1556 L C 2.347 179.223 176.870 0.010 0.000 1.081 1556 L CA 2.555 57.413 54.840 0.030 0.000 0.752 1556 L CB -0.494 41.588 42.059 0.037 0.000 0.896 1556 L HN 0.332 nan 8.230 nan 0.000 0.433 1557 D N -1.222 119.180 120.400 0.004 0.000 2.178 1557 D HA -0.110 4.529 4.640 -0.001 0.000 0.202 1557 D C 2.302 178.577 176.300 -0.042 0.000 0.974 1557 D CA 0.955 54.942 54.000 -0.022 0.000 0.841 1557 D CB -0.008 40.760 40.800 -0.054 0.000 0.953 1557 D HN 0.205 nan 8.370 nan 0.000 0.478 1558 V N 1.346 121.230 119.914 -0.049 0.000 2.626 1558 V HA -0.164 3.956 4.120 -0.001 0.000 0.252 1558 V C 2.499 178.564 176.094 -0.049 0.000 1.067 1558 V CA 1.460 63.726 62.300 -0.057 0.000 1.081 1558 V CB -0.632 31.161 31.823 -0.050 0.000 0.686 1558 V HN 0.161 nan 8.190 nan 0.000 0.468 1559 A N 0.013 122.807 122.820 -0.042 0.000 1.873 1559 A HA -0.098 4.222 4.320 -0.001 0.000 0.215 1559 A C 2.071 179.592 177.584 -0.105 0.000 1.186 1559 A CA 1.376 53.375 52.037 -0.064 0.000 0.616 1559 A CB -0.463 18.507 19.000 -0.050 0.000 0.823 1559 A HN 0.381 nan 8.150 nan 0.000 0.442 1560 L N -0.140 121.037 121.223 -0.078 0.000 2.083 1560 L HA -0.098 4.242 4.340 -0.001 0.000 0.209 1560 L C 2.424 179.262 176.870 -0.054 0.000 1.083 1560 L CA 1.333 56.126 54.840 -0.079 0.000 0.752 1560 L CB -1.320 40.764 42.059 0.041 0.000 0.899 1560 L HN 0.370 nan 8.230 nan 0.000 0.433 1561 L N -1.264 119.937 121.223 -0.037 0.000 2.201 1561 L HA -0.184 4.155 4.340 -0.001 0.000 0.212 1561 L C 2.282 179.127 176.870 -0.041 0.000 1.105 1561 L CA 1.116 55.941 54.840 -0.025 0.000 0.775 1561 L CB -0.791 41.245 42.059 -0.039 0.000 0.913 1561 L HN 0.276 nan 8.230 nan 0.000 0.440 1562 T N -0.080 114.431 114.554 -0.071 0.000 2.821 1562 T HA -0.101 4.248 4.350 -0.001 0.000 0.267 1562 T C 1.874 176.518 174.700 -0.094 0.000 1.046 1562 T CA 0.811 62.867 62.100 -0.073 0.000 1.139 1562 T CB -0.045 68.778 68.868 -0.076 0.000 0.871 1562 T HN 0.022 nan 8.240 nan 0.000 0.454 1563 L N 1.988 123.101 121.223 -0.183 0.000 2.056 1563 L HA 0.024 4.363 4.340 -0.001 0.000 0.207 1563 L C 2.255 179.099 176.870 -0.044 0.000 1.078 1563 L CA 1.381 56.063 54.840 -0.265 0.000 0.749 1563 L CB -1.463 40.091 42.059 -0.841 0.000 0.901 1563 L HN 0.191 nan 8.230 nan 0.000 0.433 1564 N N -0.132 118.603 118.700 0.058 0.000 2.094 1564 N HA -0.236 4.503 4.740 -0.001 0.000 0.191 1564 N C 1.892 177.443 175.510 0.068 0.000 1.023 1564 N CA 1.288 54.425 53.050 0.146 0.000 0.857 1564 N CB -0.108 38.443 38.487 0.107 0.000 1.013 1564 N HN 0.334 nan 8.380 nan 0.000 0.426 1565 E N 0.448 120.662 120.200 0.024 0.000 2.047 1565 E HA -0.033 4.317 4.350 -0.001 0.000 0.191 1565 E C 1.848 178.454 176.600 0.010 0.000 0.987 1565 E CA 0.726 57.132 56.400 0.010 0.000 0.799 1565 E CB -0.067 29.629 29.700 -0.008 0.000 0.752 1565 E HN 0.094 nan 8.360 nan 0.000 0.449 1566 V N -0.000 119.915 119.914 0.002 0.000 2.446 1566 V HA -0.080 4.039 4.120 -0.001 0.000 0.244 1566 V C 2.126 178.234 176.094 0.023 0.000 1.039 1566 V CA 1.312 63.614 62.300 0.003 0.000 1.045 1566 V CB -0.218 31.596 31.823 -0.016 0.000 0.681 1566 V HN 0.250 nan 8.190 nan 0.000 0.459 1567 L N -0.452 120.799 121.223 0.048 0.000 2.556 1567 L HA 0.535 4.874 4.340 -0.001 0.000 0.226 1567 L C 0.994 177.927 176.870 0.104 0.000 1.089 1567 L CA 0.667 55.560 54.840 0.089 0.000 0.864 1567 L CB 0.087 42.235 42.059 0.147 0.000 1.067 1567 L HN 0.507 nan 8.230 nan 0.000 0.477 1568 G N -0.308 108.555 108.800 0.106 0.000 2.712 1568 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.686 1568 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.686 1568 G C 0.373 175.340 174.900 0.112 0.000 1.181 1568 G CA -0.291 44.858 45.100 0.080 0.000 0.762 1568 G HN -0.020 nan 8.290 nan 0.000 0.641 1569 T N 0.603 115.194 114.554 0.062 0.000 2.802 1569 T HA -0.149 4.200 4.350 -0.001 0.000 0.269 1569 T C 1.528 176.143 174.700 -0.142 0.000 1.062 1569 T CA 1.830 63.942 62.100 0.020 0.000 1.133 1569 T CB -0.146 68.720 68.868 -0.003 0.000 0.852 1569 T HN 0.582 nan 8.240 nan 0.000 0.485 1570 N N 0.545 119.178 118.700 -0.112 0.000 2.389 1570 N HA 0.235 4.975 4.740 -0.001 0.000 0.260 1570 N C 1.140 176.577 175.510 -0.121 0.000 1.191 1570 N CA 0.008 52.953 53.050 -0.176 0.000 0.885 1570 N CB 0.859 39.285 38.487 -0.101 0.000 1.162 1570 N HN 0.429 nan 8.380 nan 0.000 0.512 1571 G N -0.015 108.757 108.800 -0.047 0.000 3.042 1571 G HA2 0.099 4.058 3.960 -0.001 0.000 0.212 1571 G HA3 0.099 4.058 3.960 -0.001 0.000 0.212 1571 G C -0.027 174.975 174.900 0.170 0.000 1.166 1571 G CA 0.302 45.457 45.100 0.091 0.000 0.767 1571 G HN 0.349 nan 8.290 nan 0.000 0.546 1572 Y N -2.473 117.826 120.300 -0.002 0.000 2.725 1572 Y HA 0.774 5.323 4.550 -0.001 0.000 0.333 1572 Y C -0.939 174.961 175.900 -0.001 0.000 1.242 1572 Y CA -2.450 55.649 58.100 -0.001 0.000 1.059 1572 Y CB 1.015 39.474 38.460 -0.001 0.000 1.306 1572 Y HN -0.072 nan 8.280 nan 0.000 0.454 1573 R N 1.212 121.757 120.500 0.075 0.000 2.575 1573 R HA 0.753 5.093 4.340 -0.001 0.000 0.293 1573 R C -2.223 174.147 176.300 0.118 0.000 0.983 1573 R CA -0.890 55.214 56.100 0.007 0.000 0.887 1573 R CB 2.172 32.470 30.300 -0.004 0.000 1.184 1573 R HN 0.727 nan 8.270 nan 0.000 0.445 1574 V N 6.810 126.784 119.914 0.099 0.000 2.368 1574 V HA 0.126 4.245 4.120 -0.001 0.000 0.266 1574 V C 0.695 176.822 176.094 0.056 0.000 1.045 1574 V CA -0.390 61.975 62.300 0.109 0.000 0.899 1574 V CB 1.144 33.038 31.823 0.119 0.000 1.006 1574 V HN 0.771 nan 8.190 nan 0.000 0.470 1575 L N 2.878 124.131 121.223 0.049 0.000 2.162 1575 L HA 0.288 4.628 4.340 -0.001 0.000 0.205 1575 L C 0.727 177.613 176.870 0.027 0.000 1.086 1575 L CA 1.271 56.130 54.840 0.031 0.000 0.778 1575 L CB -0.502 41.574 42.059 0.028 0.000 0.928 1575 L HN 0.762 nan 8.230 nan 0.000 0.446 1576 D N -1.678 118.741 120.400 0.031 0.000 2.623 1576 D HA 0.552 5.191 4.640 -0.001 0.000 0.241 1576 D C -0.967 175.350 176.300 0.028 0.000 1.241 1576 D CA -0.611 53.404 54.000 0.026 0.000 0.788 1576 D CB 1.570 42.382 40.800 0.020 0.000 1.413 1576 D HN 0.093 nan 8.370 nan 0.000 0.429 1577 R N 0.092 120.607 120.500 0.025 0.000 2.712 1577 R HA 0.729 5.068 4.340 -0.001 0.000 0.272 1577 R C -1.875 174.438 176.300 0.022 0.000 1.032 1577 R CA -0.936 55.179 56.100 0.025 0.000 0.874 1577 R CB 0.604 30.922 30.300 0.031 0.000 1.256 1577 R HN 0.169 nan 8.270 nan 0.000 0.468 1578 V N 0.834 120.761 119.914 0.021 0.000 3.096 1578 V HA 0.382 4.502 4.120 -0.001 0.000 0.319 1578 V C -0.264 175.844 176.094 0.025 0.000 1.082 1578 V CA -0.691 61.621 62.300 0.020 0.000 1.022 1578 V CB 1.929 33.762 31.823 0.017 0.000 1.103 1578 V HN 0.701 nan 8.190 nan 0.000 0.455 1579 E N 1.129 121.344 120.200 0.024 0.000 2.248 1579 E HA 0.312 4.661 4.350 -0.001 0.000 0.272 1579 E C -0.987 175.633 176.600 0.032 0.000 1.008 1579 E CA -0.653 55.765 56.400 0.030 0.000 0.856 1579 E CB 0.960 30.676 29.700 0.027 0.000 1.120 1579 E HN 0.552 nan 8.360 nan 0.000 0.397 1580 D N -0.154 120.275 120.400 0.048 0.000 2.443 1580 D HA 0.291 4.931 4.640 -0.001 0.000 0.239 1580 D C 1.140 177.449 176.300 0.016 0.000 1.136 1580 D CA 1.534 55.563 54.000 0.049 0.000 0.879 1580 D CB 0.642 41.507 40.800 0.109 0.000 1.195 1580 D HN 0.626 nan 8.370 nan 0.000 0.443 1581 G N 1.092 109.888 108.800 -0.008 0.000 2.194 1581 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.236 1581 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.236 1581 G C 0.450 175.344 174.900 -0.009 0.000 0.987 1581 G CA 0.152 45.239 45.100 -0.022 0.000 0.635 1581 G HN 0.835 nan 8.290 nan 0.000 0.520 1582 A N 1.182 124.002 122.820 -0.000 0.000 2.450 1582 A HA 0.634 4.953 4.320 -0.001 0.000 0.255 1582 A C 0.802 178.386 177.584 -0.001 0.000 1.096 1582 A CA -0.047 51.991 52.037 0.002 0.000 0.778 1582 A CB 0.276 19.280 19.000 0.007 0.000 1.031 1582 A HN 0.368 nan 8.150 nan 0.000 0.494 1583 R N 1.643 122.143 120.500 -0.001 0.000 2.340 1583 R HA 0.450 4.789 4.340 -0.001 0.000 0.300 1583 R C -0.820 175.480 176.300 -0.000 0.000 1.069 1583 R CA -0.272 55.827 56.100 -0.002 0.000 0.984 1583 R CB 0.784 31.082 30.300 -0.002 0.000 1.003 1583 R HN 0.400 nan 8.270 nan 0.000 0.459 1584 V N 5.404 125.318 119.914 -0.000 0.000 2.789 1584 V HA 0.440 4.559 4.120 -0.001 0.000 0.311 1584 V C -2.053 174.041 176.094 0.001 0.000 1.073 1584 V CA -1.897 60.404 62.300 0.001 0.000 0.921 1584 V CB 2.930 34.755 31.823 0.003 0.000 1.009 1584 V HN 0.683 nan 8.190 nan 0.000 0.426 1585 P HA 0.430 nan 4.420 nan 0.000 0.281 1585 P C -2.528 174.773 177.300 0.001 0.000 1.281 1585 P CA -1.792 61.309 63.100 0.000 0.000 0.811 1585 P CB 1.188 32.888 31.700 0.001 0.000 1.154 1586 P HA -0.176 nan 4.420 nan 0.000 0.209 1586 P C 1.277 178.579 177.300 0.002 0.000 1.167 1586 P CA 2.303 65.404 63.100 0.001 0.000 0.941 1586 P CB -0.625 31.076 31.700 0.001 0.000 0.787 1587 G N -0.869 107.932 108.800 0.002 0.000 3.374 1587 G HA2 0.020 3.979 3.960 -0.001 0.000 0.252 1587 G HA3 0.020 3.979 3.960 -0.001 0.000 0.252 1587 G C -0.061 174.841 174.900 0.003 0.000 1.326 1587 G CA -0.062 45.040 45.100 0.003 0.000 1.133 1587 G HN 0.168 nan 8.290 nan 0.000 0.528 1588 E N 1.129 121.331 120.200 0.004 0.000 2.290 1588 E HA 0.488 4.837 4.350 -0.001 0.000 0.277 1588 E C 0.346 176.949 176.600 0.006 0.000 1.035 1588 E CA -0.290 56.113 56.400 0.005 0.000 0.873 1588 E CB 0.867 30.569 29.700 0.005 0.000 1.029 1588 E HN 0.174 nan 8.360 nan 0.000 0.419 1589 A N 5.863 128.687 122.820 0.006 0.000 2.350 1589 A HA 0.233 4.553 4.320 -0.001 0.000 0.293 1589 A C 0.746 178.336 177.584 0.009 0.000 1.231 1589 A CA -0.301 51.740 52.037 0.007 0.000 0.883 1589 A CB -0.002 19.003 19.000 0.008 0.000 1.133 1589 A HN 0.871 nan 8.150 nan 0.000 0.533 1590 L N 1.872 123.100 121.223 0.009 0.000 2.179 1590 L HA 0.206 4.545 4.340 -0.001 0.000 0.208 1590 L C 0.996 177.874 176.870 0.014 0.000 1.096 1590 L CA 0.794 55.640 54.840 0.011 0.000 0.779 1590 L CB -0.171 41.895 42.059 0.011 0.000 0.922 1590 L HN 0.775 nan 8.230 nan 0.000 0.443 1591 M N -0.851 118.756 119.600 0.012 0.000 2.373 1591 M HA 0.324 4.803 4.480 -0.001 0.000 0.290 1591 M C -1.722 174.587 176.300 0.015 0.000 1.143 1591 M CA -0.163 55.146 55.300 0.016 0.000 0.949 1591 M CB 2.504 35.112 32.600 0.013 0.000 1.756 1591 M HN -0.274 nan 8.290 nan 0.000 0.494 1592 T N 5.447 120.014 114.554 0.022 0.000 2.848 1592 T HA 0.789 5.139 4.350 -0.001 0.000 0.285 1592 T C -1.206 173.516 174.700 0.036 0.000 0.995 1592 T CA -0.603 61.510 62.100 0.022 0.000 0.970 1592 T CB 1.218 70.098 68.868 0.020 0.000 0.976 1592 T HN 0.555 nan 8.240 nan 0.000 0.441 1593 L N 0.194 121.440 121.223 0.038 0.000 2.403 1593 L HA 0.832 5.172 4.340 -0.001 0.000 0.253 1593 L C -0.631 176.275 176.870 0.060 0.000 1.045 1593 L CA -1.106 53.774 54.840 0.066 0.000 0.845 1593 L CB 1.617 43.729 42.059 0.088 0.000 1.447 1593 L HN 0.544 nan 8.230 nan 0.000 0.411 1594 E N 0.272 120.522 120.200 0.083 0.000 2.199 1594 E HA 0.845 5.194 4.350 -0.001 0.000 0.265 1594 E C -1.518 175.142 176.600 0.100 0.000 0.882 1594 E CA -0.688 55.752 56.400 0.067 0.000 0.759 1594 E CB 1.872 31.601 29.700 0.049 0.000 1.148 1594 E HN 1.039 nan 8.360 nan 0.000 0.412 1595 A N 3.866 126.733 122.820 0.079 0.000 2.610 1595 A HA 0.265 4.584 4.320 -0.001 0.000 0.291 1595 A C -1.147 176.471 177.584 0.056 0.000 1.086 1595 A CA -0.750 51.344 52.037 0.096 0.000 0.677 1595 A CB 1.606 20.672 19.000 0.109 0.000 1.278 1595 A HN 0.644 nan 8.150 nan 0.000 0.414 1596 Q N 0.471 120.305 119.800 0.056 0.000 2.263 1596 Q HA 0.091 4.430 4.340 -0.001 0.000 0.289 1596 Q C 0.500 176.515 176.000 0.025 0.000 1.061 1596 Q CA 0.950 56.774 55.803 0.035 0.000 0.927 1596 Q CB 0.483 29.242 28.738 0.034 0.000 1.154 1596 Q HN 0.787 nan 8.270 nan 0.000 0.378 1597 T N 4.641 119.205 114.554 0.018 0.000 2.720 1597 T HA -0.180 4.170 4.350 -0.001 0.000 0.268 1597 T C 1.511 176.215 174.700 0.008 0.000 1.037 1597 T CA 1.587 63.694 62.100 0.011 0.000 1.144 1597 T CB -0.021 68.853 68.868 0.010 0.000 0.864 1597 T HN 0.599 nan 8.240 nan 0.000 0.444 1598 R N 0.414 120.920 120.500 0.009 0.000 2.081 1598 R HA -0.041 4.299 4.340 -0.001 0.000 0.235 1598 R C 2.927 179.230 176.300 0.005 0.000 1.131 1598 R CA 1.347 57.451 56.100 0.007 0.000 0.960 1598 R CB -0.714 29.592 30.300 0.009 0.000 0.856 1598 R HN 0.466 nan 8.270 nan 0.000 0.436 1599 G N 0.902 109.706 108.800 0.007 0.000 2.402 1599 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.216 1599 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.216 1599 G C 1.438 176.330 174.900 -0.013 0.000 1.162 1599 G CA 0.339 45.440 45.100 0.002 0.000 0.777 1599 G HN 0.126 nan 8.290 nan 0.000 0.539 1600 L N -0.333 120.882 121.223 -0.014 0.000 2.046 1600 L HA -0.039 4.300 4.340 -0.001 0.000 0.208 1600 L C 2.692 179.549 176.870 -0.022 0.000 1.077 1600 L CA 0.302 55.126 54.840 -0.027 0.000 0.747 1600 L CB -0.294 41.753 42.059 -0.019 0.000 0.896 1600 L HN 0.128 nan 8.230 nan 0.000 0.432 1601 L N -0.826 120.390 121.223 -0.011 0.000 2.141 1601 L HA -0.143 4.197 4.340 -0.001 0.000 0.209 1601 L C 2.494 179.359 176.870 -0.008 0.000 1.094 1601 L CA 1.765 56.600 54.840 -0.008 0.000 0.763 1601 L CB -1.264 40.794 42.059 -0.003 0.000 0.908 1601 L HN 0.188 nan 8.230 nan 0.000 0.437 1602 T N -0.927 113.623 114.554 -0.008 0.000 2.937 1602 T HA 0.007 4.356 4.350 -0.001 0.000 0.260 1602 T C 1.910 176.603 174.700 -0.012 0.000 1.051 1602 T CA 1.009 63.106 62.100 -0.005 0.000 1.141 1602 T CB -0.027 68.840 68.868 -0.002 0.000 0.879 1602 T HN 0.357 nan 8.240 nan 0.000 0.459 1603 A N 1.286 124.092 122.820 -0.023 0.000 1.970 1603 A HA -0.008 4.311 4.320 -0.001 0.000 0.216 1603 A C 2.065 179.628 177.584 -0.035 0.000 1.170 1603 A CA 1.513 53.529 52.037 -0.036 0.000 0.645 1603 A CB -0.528 18.436 19.000 -0.060 0.000 0.816 1603 A HN 0.585 nan 8.150 nan 0.000 0.447 1604 E N -0.154 120.028 120.200 -0.030 0.000 2.110 1604 E HA -0.377 3.972 4.350 -0.001 0.000 0.225 1604 E C 2.215 178.804 176.600 -0.019 0.000 1.063 1604 E CA 2.139 58.524 56.400 -0.025 0.000 0.906 1604 E CB -0.172 29.517 29.700 -0.018 0.000 0.795 1604 E HN 0.394 nan 8.360 nan 0.000 0.479 1605 R N 0.098 120.590 120.500 -0.014 0.000 2.096 1605 R HA -0.074 4.265 4.340 -0.001 0.000 0.235 1605 R C 2.275 178.568 176.300 -0.012 0.000 1.127 1605 R CA 2.306 58.400 56.100 -0.010 0.000 0.968 1605 R CB -1.042 29.254 30.300 -0.007 0.000 0.861 1605 R HN 0.250 nan 8.270 nan 0.000 0.440 1606 T N 0.749 115.293 114.554 -0.016 0.000 2.777 1606 T HA -0.136 4.213 4.350 -0.001 0.000 0.266 1606 T C 1.732 176.418 174.700 -0.023 0.000 1.040 1606 T CA 1.612 63.700 62.100 -0.020 0.000 1.141 1606 T CB -0.224 68.630 68.868 -0.022 0.000 0.868 1606 T HN 0.325 nan 8.240 nan 0.000 0.444 1607 M N 0.429 120.012 119.600 -0.028 0.000 2.086 1607 M HA -0.071 4.409 4.480 -0.001 0.000 0.261 1607 M C 1.754 178.044 176.300 -0.017 0.000 1.067 1607 M CA 1.530 56.811 55.300 -0.032 0.000 1.116 1607 M CB -0.174 32.398 32.600 -0.048 0.000 1.348 1607 M HN 0.108 nan 8.290 nan 0.000 0.407 1608 L N 1.186 122.402 121.223 -0.012 0.000 2.056 1608 L HA -0.171 4.169 4.340 -0.001 0.000 0.207 1608 L C 2.154 179.031 176.870 0.012 0.000 1.078 1608 L CA 1.610 56.449 54.840 -0.000 0.000 0.749 1608 L CB -1.764 40.294 42.059 -0.002 0.000 0.901 1608 L HN 0.381 nan 8.230 nan 0.000 0.433 1609 N N -0.650 118.054 118.700 0.007 0.000 2.104 1609 N HA -0.172 4.567 4.740 -0.001 0.000 0.190 1609 N C 1.785 177.314 175.510 0.031 0.000 1.024 1609 N CA 0.955 54.013 53.050 0.013 0.000 0.853 1609 N CB -0.347 38.134 38.487 -0.009 0.000 1.008 1609 N HN 0.120 nan 8.380 nan 0.000 0.424 1610 L N 0.911 122.144 121.223 0.017 0.000 2.005 1610 L HA -0.051 4.288 4.340 -0.001 0.000 0.207 1610 L C 2.397 179.309 176.870 0.071 0.000 1.072 1610 L CA 1.179 56.039 54.840 0.034 0.000 0.744 1610 L CB -1.249 40.810 42.059 0.001 0.000 0.895 1610 L HN 0.131 nan 8.230 nan 0.000 0.433 1611 V N -1.810 118.131 119.914 0.044 0.000 2.515 1611 V HA -0.019 4.101 4.120 -0.001 0.000 0.250 1611 V C 2.253 178.379 176.094 0.053 0.000 1.058 1611 V CA 1.637 63.966 62.300 0.048 0.000 1.064 1611 V CB -1.275 30.564 31.823 0.028 0.000 0.675 1611 V HN 0.378 nan 8.190 nan 0.000 0.461 1612 G N -0.633 108.200 108.800 0.056 0.000 2.418 1612 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.217 1612 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.217 1612 G C 1.444 176.390 174.900 0.078 0.000 1.158 1612 G CA 1.247 46.380 45.100 0.054 0.000 0.771 1612 G HN 0.742 nan 8.290 nan 0.000 0.545 1613 H N 0.432 119.506 119.070 0.007 0.000 2.299 1613 H HA 0.127 4.683 4.556 -0.001 0.000 0.302 1613 H C 2.557 177.892 175.328 0.011 0.000 1.078 1613 H CA 1.362 57.415 56.048 0.008 0.000 1.323 1613 H CB -0.243 29.523 29.762 0.006 0.000 1.381 1613 H HN 0.238 nan 8.280 nan 0.000 0.498 1614 L N -0.608 120.660 121.223 0.076 0.000 2.131 1614 L HA -0.134 4.205 4.340 -0.001 0.000 0.210 1614 L C 2.441 179.289 176.870 -0.037 0.000 1.092 1614 L CA 1.264 56.111 54.840 0.012 0.000 0.759 1614 L CB -0.378 41.744 42.059 0.105 0.000 0.903 1614 L HN 0.263 nan 8.230 nan 0.000 0.435 1615 S N 0.041 115.734 115.700 -0.013 0.000 2.428 1615 S HA -0.056 4.413 4.470 -0.001 0.000 0.230 1615 S C 2.037 176.610 174.600 -0.045 0.000 1.014 1615 S CA 0.964 59.152 58.200 -0.021 0.000 0.957 1615 S CB -0.263 62.937 63.200 -0.000 0.000 0.784 1615 S HN 0.594 nan 8.310 nan 0.000 0.499 1616 G N 1.845 110.603 108.800 -0.069 0.000 2.418 1616 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.217 1616 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.217 1616 G C 1.320 176.156 174.900 -0.106 0.000 1.158 1616 G CA 0.569 45.620 45.100 -0.081 0.000 0.771 1616 G HN 0.471 nan 8.290 nan 0.000 0.545 1617 I N 1.319 121.785 120.570 -0.174 0.000 2.142 1617 I HA -0.168 4.001 4.170 -0.001 0.000 0.240 1617 I C 3.326 179.386 176.117 -0.094 0.000 1.078 1617 I CA 1.024 62.230 61.300 -0.158 0.000 1.343 1617 I CB -0.266 37.615 38.000 -0.198 0.000 1.046 1617 I HN 0.244 nan 8.210 nan 0.000 0.405 1618 A N 0.334 123.100 122.820 -0.089 0.000 1.908 1618 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 1618 A C 2.378 179.941 177.584 -0.035 0.000 1.181 1618 A CA 2.583 54.576 52.037 -0.073 0.000 0.627 1618 A CB -1.171 17.781 19.000 -0.081 0.000 0.818 1618 A HN 0.403 nan 8.150 nan 0.000 0.445 1619 T N 0.306 114.844 114.554 -0.027 0.000 2.652 1619 T HA -0.066 4.283 4.350 -0.001 0.000 0.267 1619 T C 2.255 176.969 174.700 0.024 0.000 1.039 1619 T CA 1.864 63.960 62.100 -0.006 0.000 1.153 1619 T CB -0.551 68.311 68.868 -0.009 0.000 0.863 1619 T HN 0.626 nan 8.240 nan 0.000 0.428 1620 A N 1.237 124.078 122.820 0.034 0.000 1.902 1620 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 1620 A C 2.594 180.308 177.584 0.217 0.000 1.181 1620 A CA 2.432 54.539 52.037 0.116 0.000 0.623 1620 A CB -1.325 17.737 19.000 0.102 0.000 0.818 1620 A HN 0.580 nan 8.150 nan 0.000 0.443 1621 T N -1.543 113.072 114.554 0.103 0.000 2.915 1621 T HA 0.111 4.461 4.350 -0.001 0.000 0.269 1621 T C 1.813 176.593 174.700 0.133 0.000 1.071 1621 T CA 1.700 63.864 62.100 0.106 0.000 1.132 1621 T CB -0.407 68.448 68.868 -0.021 0.000 0.878 1621 T HN 0.534 nan 8.240 nan 0.000 0.479 1622 A N 0.923 123.789 122.820 0.077 0.000 1.969 1622 A HA 0.442 4.761 4.320 -0.001 0.000 0.218 1622 A C 2.752 180.373 177.584 0.063 0.000 1.169 1622 A CA 1.566 53.634 52.037 0.052 0.000 0.635 1622 A CB -1.181 17.831 19.000 0.019 0.000 0.810 1622 A HN 0.750 nan 8.150 nan 0.000 0.445 1623 A N -1.500 121.363 122.820 0.072 0.000 1.929 1623 A HA -0.060 4.260 4.320 -0.001 0.000 0.216 1623 A C 1.898 179.466 177.584 -0.026 0.000 1.176 1623 A CA 1.162 53.198 52.037 -0.001 0.000 0.628 1623 A CB -0.745 18.227 19.000 -0.046 0.000 0.816 1623 A HN 0.703 nan 8.150 nan 0.000 0.444 1624 W N -0.316 120.970 121.300 -0.024 0.000 2.388 1624 W HA -0.074 4.586 4.660 -0.001 0.000 0.294 1624 W C 2.273 178.784 176.519 -0.013 0.000 1.212 1624 W CA 1.365 58.698 57.345 -0.020 0.000 1.271 1624 W CB -0.500 28.942 29.460 -0.029 0.000 1.126 1624 W HN 0.113 nan 8.180 nan 0.000 0.535 1625 V N 0.390 120.431 119.914 0.212 0.000 2.343 1625 V HA -0.293 3.826 4.120 -0.001 0.000 0.247 1625 V C 1.729 177.862 176.094 0.064 0.000 1.051 1625 V CA 2.195 64.566 62.300 0.118 0.000 1.036 1625 V CB -0.776 31.095 31.823 0.080 0.000 0.654 1625 V HN 0.039 nan 8.190 nan 0.000 0.451 1626 D N 0.371 120.793 120.400 0.036 0.000 2.144 1626 D HA -0.069 4.570 4.640 -0.001 0.000 0.200 1626 D C 2.236 178.532 176.300 -0.007 0.000 0.978 1626 D CA 1.465 55.469 54.000 0.006 0.000 0.833 1626 D CB -0.402 40.392 40.800 -0.011 0.000 0.961 1626 D HN 0.414 nan 8.370 nan 0.000 0.470 1627 A N 0.658 123.461 122.820 -0.028 0.000 1.908 1627 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 1627 A C 2.134 179.716 177.584 -0.003 0.000 1.181 1627 A CA 1.978 53.982 52.037 -0.055 0.000 0.627 1627 A CB -0.586 18.325 19.000 -0.148 0.000 0.818 1627 A HN 0.268 nan 8.150 nan 0.000 0.445 1628 V N -1.277 118.660 119.914 0.039 0.000 3.514 1628 V HA 0.227 4.347 4.120 -0.001 0.000 0.301 1628 V C 0.640 176.755 176.094 0.035 0.000 1.346 1628 V CA 0.053 62.384 62.300 0.052 0.000 1.156 1628 V CB -1.477 30.400 31.823 0.090 0.000 1.029 1628 V HN 0.629 nan 8.190 nan 0.000 0.428 1629 R N 0.494 121.007 120.500 0.023 0.000 2.643 1629 R HA 0.564 4.904 4.340 -0.001 0.000 0.270 1629 R C 0.942 177.248 176.300 0.010 0.000 1.061 1629 R CA 0.493 56.602 56.100 0.016 0.000 1.107 1629 R CB 0.270 30.577 30.300 0.011 0.000 0.999 1629 R HN 0.890 nan 8.270 nan 0.000 0.460 1630 G N 0.642 109.446 108.800 0.007 0.000 2.132 1630 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.228 1630 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.228 1630 G C -0.172 174.730 174.900 0.003 0.000 1.000 1630 G CA 0.303 45.405 45.100 0.003 0.000 0.693 1630 G HN 0.793 nan 8.290 nan 0.000 0.515 1631 T N -1.059 113.498 114.554 0.004 0.000 2.883 1631 T HA 0.553 4.902 4.350 -0.001 0.000 0.296 1631 T C 1.292 175.986 174.700 -0.009 0.000 1.117 1631 T CA -0.066 62.035 62.100 0.002 0.000 1.006 1631 T CB 1.464 70.341 68.868 0.015 0.000 1.191 1631 T HN 0.368 nan 8.240 nan 0.000 0.508 1632 K N 0.697 121.082 120.400 -0.026 0.000 2.400 1632 K HA 0.438 4.758 4.320 -0.001 0.000 0.194 1632 K C 0.837 177.392 176.600 -0.075 0.000 1.033 1632 K CA -0.044 56.214 56.287 -0.049 0.000 1.021 1632 K CB 0.183 32.643 32.500 -0.066 0.000 0.808 1632 K HN 0.464 nan 8.250 nan 0.000 0.505 1633 A N 1.993 124.780 122.820 -0.056 0.000 2.531 1633 A HA 0.153 4.472 4.320 -0.001 0.000 0.236 1633 A C -0.737 176.840 177.584 -0.010 0.000 1.062 1633 A CA 0.031 52.032 52.037 -0.060 0.000 0.760 1633 A CB 0.128 19.129 19.000 0.002 0.000 0.995 1633 A HN 0.360 nan 8.150 nan 0.000 0.501 1634 K N 1.553 121.962 120.400 0.016 0.000 2.259 1634 K HA 0.566 4.885 4.320 -0.001 0.000 0.249 1634 K C -0.626 176.072 176.600 0.164 0.000 0.942 1634 K CA -0.560 55.800 56.287 0.122 0.000 0.816 1634 K CB 1.672 34.301 32.500 0.215 0.000 1.155 1634 K HN 0.519 nan 8.250 nan 0.000 0.428 1635 I N 2.832 123.459 120.570 0.096 0.000 2.395 1635 I HA 0.287 4.456 4.170 -0.001 0.000 0.289 1635 I C 0.198 176.294 176.117 -0.035 0.000 1.023 1635 I CA -0.214 61.101 61.300 0.024 0.000 1.350 1635 I CB 0.627 38.640 38.000 0.022 0.000 1.409 1635 I HN 0.464 nan 8.210 nan 0.000 0.507 1636 R N 3.769 124.200 120.500 -0.114 0.000 2.750 1636 R HA 0.380 4.720 4.340 -0.001 0.000 0.281 1636 R C -0.817 175.380 176.300 -0.171 0.000 0.972 1636 R CA -0.849 55.154 56.100 -0.162 0.000 0.912 1636 R CB 2.342 32.471 30.300 -0.285 0.000 1.187 1636 R HN 0.607 nan 8.270 nan 0.000 0.464 1637 D N 0.043 120.373 120.400 -0.117 0.000 2.511 1637 D HA 0.340 4.979 4.640 -0.001 0.000 0.276 1637 D C 0.303 176.579 176.300 -0.040 0.000 1.220 1637 D CA -0.293 53.642 54.000 -0.107 0.000 1.077 1637 D CB 0.502 41.254 40.800 -0.080 0.000 1.126 1637 D HN 0.518 nan 8.370 nan 0.000 0.583 1638 T N -4.940 109.596 114.554 -0.030 0.000 2.716 1638 T HA 0.466 4.815 4.350 -0.001 0.000 0.286 1638 T C 0.382 175.086 174.700 0.008 0.000 1.052 1638 T CA -1.056 61.051 62.100 0.012 0.000 1.024 1638 T CB 1.276 70.145 68.868 0.002 0.000 1.349 1638 T HN 0.296 nan 8.240 nan 0.000 0.525 1639 R N 0.190 120.695 120.500 0.008 0.000 2.335 1639 R HA 0.158 4.498 4.340 -0.001 0.000 0.223 1639 R C 0.202 176.522 176.300 0.033 0.000 0.940 1639 R CA 0.022 56.129 56.100 0.011 0.000 1.086 1639 R CB -0.002 30.294 30.300 -0.006 0.000 1.073 1639 R HN 0.414 nan 8.270 nan 0.000 0.504 1640 K N 2.065 122.496 120.400 0.051 0.000 2.307 1640 K HA 0.049 4.368 4.320 -0.001 0.000 0.240 1640 K C 0.001 176.656 176.600 0.092 0.000 1.214 1640 K CA 0.135 56.477 56.287 0.092 0.000 1.149 1640 K CB 0.405 33.017 32.500 0.186 0.000 1.668 1640 K HN 0.089 nan 8.250 nan 0.000 0.314 1641 T N -1.991 112.604 114.554 0.069 0.000 2.940 1641 T HA 0.422 4.771 4.350 -0.001 0.000 0.288 1641 T C -0.185 174.556 174.700 0.068 0.000 1.045 1641 T CA -1.130 61.012 62.100 0.071 0.000 1.018 1641 T CB 1.252 70.156 68.868 0.060 0.000 1.151 1641 T HN -0.041 nan 8.240 nan 0.000 0.529 1642 L N 2.870 124.134 121.223 0.069 0.000 2.305 1642 L HA 0.434 4.773 4.340 -0.001 0.000 0.281 1642 L C -1.987 174.900 176.870 0.029 0.000 1.085 1642 L CA -2.515 52.351 54.840 0.042 0.000 0.813 1642 L CB 0.416 42.489 42.059 0.023 0.000 1.157 1642 L HN 0.572 nan 8.230 nan 0.000 0.436 1643 P HA 0.087 nan 4.420 nan 0.000 0.260 1643 P C 0.757 178.066 177.300 0.014 0.000 1.185 1643 P CA 0.741 63.855 63.100 0.024 0.000 0.763 1643 P CB 0.653 32.364 31.700 0.018 0.000 0.776 1644 G N 2.975 111.790 108.800 0.026 0.000 2.217 1644 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.246 1644 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.246 1644 G C 0.520 175.403 174.900 -0.027 0.000 0.990 1644 G CA 0.147 45.251 45.100 0.006 0.000 0.627 1644 G HN 0.502 nan 8.290 nan 0.000 0.522 1645 L N 0.063 121.276 121.223 -0.016 0.000 2.858 1645 L HA 0.370 4.709 4.340 -0.001 0.000 0.251 1645 L C 2.311 179.179 176.870 -0.003 0.000 1.149 1645 L CA 0.336 55.161 54.840 -0.027 0.000 0.955 1645 L CB 0.120 42.169 42.059 -0.017 0.000 1.289 1645 L HN 0.258 nan 8.230 nan 0.000 0.542 1646 R N 1.699 122.213 120.500 0.023 0.000 2.112 1646 R HA -0.244 4.095 4.340 -0.001 0.000 0.242 1646 R C 2.279 178.599 176.300 0.034 0.000 1.137 1646 R CA 2.165 58.300 56.100 0.058 0.000 0.944 1646 R CB -0.211 30.160 30.300 0.118 0.000 0.857 1646 R HN 0.334 nan 8.270 nan 0.000 0.435 1647 A N 0.768 123.549 122.820 -0.064 0.000 1.940 1647 A HA -0.129 4.190 4.320 -0.001 0.000 0.219 1647 A C 2.237 179.760 177.584 -0.101 0.000 1.176 1647 A CA 1.413 53.343 52.037 -0.180 0.000 0.631 1647 A CB -0.470 18.030 19.000 -0.832 0.000 0.814 1647 A HN 0.397 nan 8.150 nan 0.000 0.446 1648 L N -1.276 119.890 121.223 -0.096 0.000 2.072 1648 L HA -0.184 4.156 4.340 -0.001 0.000 0.205 1648 L C 2.855 179.791 176.870 0.110 0.000 1.079 1648 L CA 1.332 56.178 54.840 0.009 0.000 0.752 1648 L CB -0.638 41.407 42.059 -0.023 0.000 0.906 1648 L HN 0.479 nan 8.230 nan 0.000 0.436 1649 Q N -0.139 119.709 119.800 0.079 0.000 2.167 1649 Q HA -0.218 4.121 4.340 -0.001 0.000 0.202 1649 Q C 2.112 178.134 176.000 0.038 0.000 0.970 1649 Q CA 1.215 57.060 55.803 0.070 0.000 0.855 1649 Q CB 0.051 28.836 28.738 0.079 0.000 0.911 1649 Q HN 0.215 nan 8.270 nan 0.000 0.438 1650 K N 0.131 120.565 120.400 0.056 0.000 2.062 1650 K HA -0.156 4.163 4.320 -0.001 0.000 0.205 1650 K C 1.734 178.365 176.600 0.052 0.000 1.051 1650 K CA 0.961 57.278 56.287 0.049 0.000 0.941 1650 K CB -0.351 32.198 32.500 0.083 0.000 0.719 1650 K HN 0.221 nan 8.250 nan 0.000 0.440 1651 Y N 0.483 120.769 120.300 -0.022 0.000 2.145 1651 Y HA -0.197 4.352 4.550 -0.001 0.000 0.286 1651 Y C 1.857 177.744 175.900 -0.022 0.000 1.145 1651 Y CA 1.690 59.776 58.100 -0.023 0.000 1.148 1651 Y CB -0.604 37.830 38.460 -0.044 0.000 0.981 1651 Y HN 0.048 nan 8.280 nan 0.000 0.507 1652 A N 0.119 122.836 122.820 -0.171 0.000 1.972 1652 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 1652 A C 2.391 179.843 177.584 -0.221 0.000 1.169 1652 A CA 2.160 54.046 52.037 -0.252 0.000 0.635 1652 A CB -1.619 17.337 19.000 -0.074 0.000 0.810 1652 A HN 0.670 nan 8.150 nan 0.000 0.446 1653 V N -1.593 118.232 119.914 -0.149 0.000 2.453 1653 V HA -0.139 3.980 4.120 -0.001 0.000 0.247 1653 V C 2.178 178.195 176.094 -0.128 0.000 1.048 1653 V CA 2.141 64.367 62.300 -0.122 0.000 1.049 1653 V CB -0.814 30.949 31.823 -0.100 0.000 0.672 1653 V HN 0.528 nan 8.190 nan 0.000 0.457 1654 R N 0.082 120.491 120.500 -0.152 0.000 2.081 1654 R HA -0.119 4.221 4.340 -0.001 0.000 0.235 1654 R C 2.416 178.610 176.300 -0.176 0.000 1.131 1654 R CA 2.134 58.153 56.100 -0.136 0.000 0.960 1654 R CB -0.647 29.580 30.300 -0.122 0.000 0.856 1654 R HN 0.653 nan 8.270 nan 0.000 0.436 1655 T N -0.896 113.474 114.554 -0.306 0.000 2.833 1655 T HA -0.091 4.258 4.350 -0.001 0.000 0.269 1655 T C 1.559 176.172 174.700 -0.146 0.000 1.054 1655 T CA 1.361 63.296 62.100 -0.275 0.000 1.135 1655 T CB -0.198 68.422 68.868 -0.413 0.000 0.869 1655 T HN 0.482 nan 8.240 nan 0.000 0.466 1656 G N -0.200 108.525 108.800 -0.125 0.000 2.920 1656 G HA2 0.371 4.330 3.960 -0.001 0.000 0.208 1656 G HA3 0.371 4.330 3.960 -0.001 0.000 0.208 1656 G C 1.109 175.986 174.900 -0.037 0.000 1.159 1656 G CA 0.431 45.492 45.100 -0.066 0.000 0.784 1656 G HN 0.764 nan 8.290 nan 0.000 0.535 1657 G N -1.657 107.115 108.800 -0.046 0.000 2.184 1657 G HA2 0.026 3.986 3.960 -0.001 0.000 0.206 1657 G HA3 0.026 3.986 3.960 -0.001 0.000 0.206 1657 G C 0.695 175.590 174.900 -0.009 0.000 0.995 1657 G CA 0.126 45.215 45.100 -0.018 0.000 0.651 1657 G HN 0.944 nan 8.290 nan 0.000 0.511 1658 G N -1.021 107.763 108.800 -0.027 0.000 2.557 1658 G HA2 0.733 4.692 3.960 -0.001 0.000 0.292 1658 G HA3 0.733 4.692 3.960 -0.001 0.000 0.292 1658 G C 0.033 174.918 174.900 -0.025 0.000 1.237 1658 G CA 0.161 45.245 45.100 -0.026 0.000 0.978 1658 G HN 1.581 nan 8.290 nan 0.000 0.498 1659 V N -0.690 119.208 119.914 -0.027 0.000 2.656 1659 V HA 0.540 4.659 4.120 -0.001 0.000 0.307 1659 V C -0.825 175.243 176.094 -0.044 0.000 1.051 1659 V CA -1.405 60.880 62.300 -0.025 0.000 0.893 1659 V CB 1.662 33.484 31.823 -0.002 0.000 0.999 1659 V HN 0.572 nan 8.190 nan 0.000 0.426 1660 N N 3.928 122.617 118.700 -0.018 0.000 2.513 1660 N HA 0.266 5.006 4.740 -0.001 0.000 0.268 1660 N C 0.022 175.549 175.510 0.029 0.000 1.180 1660 N CA 0.072 53.125 53.050 0.004 0.000 0.948 1660 N CB 0.685 39.188 38.487 0.027 0.000 1.083 1660 N HN 1.020 nan 8.380 nan 0.000 0.455 1661 H N 1.839 120.849 119.070 -0.099 0.000 3.979 1661 H HA 0.309 4.864 4.556 -0.001 0.000 0.141 1661 H C 0.028 175.312 175.328 -0.073 0.000 1.545 1661 H CA -0.508 55.467 56.048 -0.123 0.000 1.404 1661 H CB 0.817 30.489 29.762 -0.148 0.000 0.943 1661 H HN 0.269 nan 8.280 nan 0.000 0.596 1662 R N 1.455 121.684 120.500 -0.451 0.000 2.438 1662 R HA 0.091 4.430 4.340 -0.001 0.000 0.287 1662 R C 0.929 177.148 176.300 -0.134 0.000 1.077 1662 R CA -0.092 55.800 56.100 -0.348 0.000 1.034 1662 R CB 0.949 30.977 30.300 -0.454 0.000 0.993 1662 R HN 0.532 nan 8.270 nan 0.000 0.459 1663 L N 1.181 122.356 121.223 -0.079 0.000 2.477 1663 L HA 0.184 4.523 4.340 -0.001 0.000 0.220 1663 L C 1.158 178.019 176.870 -0.015 0.000 1.106 1663 L CA 0.339 55.174 54.840 -0.008 0.000 0.851 1663 L CB 0.236 42.304 42.059 0.016 0.000 0.994 1663 L HN 0.824 nan 8.230 nan 0.000 0.462 1664 G N -1.916 106.851 108.800 -0.056 0.000 2.494 1664 G HA2 0.253 4.213 3.960 -0.001 0.000 0.308 1664 G HA3 0.253 4.213 3.960 -0.001 0.000 0.308 1664 G C -0.544 174.318 174.900 -0.063 0.000 1.263 1664 G CA -0.627 44.445 45.100 -0.046 0.000 0.840 1664 G HN -0.313 nan 8.290 nan 0.000 0.479 1665 L N 0.864 122.057 121.223 -0.050 0.000 2.179 1665 L HA 0.241 4.580 4.340 -0.001 0.000 0.208 1665 L C 2.703 179.537 176.870 -0.060 0.000 1.096 1665 L CA 2.551 57.362 54.840 -0.048 0.000 0.779 1665 L CB -0.739 41.302 42.059 -0.030 0.000 0.922 1665 L HN 0.724 nan 8.230 nan 0.000 0.443 1666 G N -2.293 106.469 108.800 -0.064 0.000 3.042 1666 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.212 1666 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.212 1666 G C 1.156 176.012 174.900 -0.072 0.000 1.166 1666 G CA 0.316 45.376 45.100 -0.066 0.000 0.767 1666 G HN 0.301 nan 8.290 nan 0.000 0.546 1667 D N 0.733 121.084 120.400 -0.082 0.000 2.133 1667 D HA 0.129 4.769 4.640 -0.001 0.000 0.195 1667 D C 1.285 177.536 176.300 -0.080 0.000 0.997 1667 D CA 1.642 55.591 54.000 -0.086 0.000 0.840 1667 D CB 0.106 40.842 40.800 -0.107 0.000 0.947 1667 D HN 0.388 nan 8.370 nan 0.000 0.452 1668 A N -1.652 121.114 122.820 -0.089 0.000 2.599 1668 A HA 0.745 5.064 4.320 -0.001 0.000 0.290 1668 A C -1.503 176.036 177.584 -0.075 0.000 1.101 1668 A CA -0.249 51.744 52.037 -0.074 0.000 0.674 1668 A CB 1.108 20.062 19.000 -0.077 0.000 1.277 1668 A HN 0.144 nan 8.150 nan 0.000 0.419 1669 A N 0.694 123.477 122.820 -0.061 0.000 2.274 1669 A HA 0.638 4.958 4.320 -0.001 0.000 0.309 1669 A C -0.669 176.880 177.584 -0.058 0.000 1.226 1669 A CA -0.321 51.672 52.037 -0.074 0.000 0.853 1669 A CB 0.393 19.351 19.000 -0.071 0.000 1.146 1669 A HN 1.439 nan 8.150 nan 0.000 0.518 1670 L N 4.966 126.150 121.223 -0.066 0.000 2.377 1670 L HA 0.506 4.845 4.340 -0.001 0.000 0.270 1670 L C -1.371 175.507 176.870 0.014 0.000 0.991 1670 L CA -0.414 54.419 54.840 -0.012 0.000 0.851 1670 L CB 0.926 42.988 42.059 0.004 0.000 1.218 1670 L HN 0.688 nan 8.230 nan 0.000 0.420 1671 I N 5.561 126.155 120.570 0.040 0.000 2.337 1671 I HA 0.221 4.391 4.170 -0.001 0.000 0.291 1671 I C 0.337 176.575 176.117 0.202 0.000 1.046 1671 I CA 0.103 61.483 61.300 0.133 0.000 1.324 1671 I CB 0.833 38.869 38.000 0.060 0.000 1.409 1671 I HN 0.517 nan 8.210 nan 0.000 0.494 1672 K N 4.530 125.135 120.400 0.342 0.000 2.312 1672 K HA 0.302 4.621 4.320 -0.001 0.000 0.236 1672 K C 0.723 177.334 176.600 0.018 0.000 1.079 1672 K CA -0.798 55.553 56.287 0.106 0.000 0.900 1672 K CB 0.847 33.359 32.500 0.021 0.000 1.297 1672 K HN 0.551 nan 8.250 nan 0.000 0.498 1673 D N 0.874 121.258 120.400 -0.026 0.000 2.133 1673 D HA -0.277 4.362 4.640 -0.001 0.000 0.192 1673 D C 0.829 177.078 176.300 -0.086 0.000 1.001 1673 D CA 1.662 55.641 54.000 -0.036 0.000 0.844 1673 D CB -0.443 40.338 40.800 -0.030 0.000 0.944 1673 D HN 0.385 nan 8.370 nan 0.000 0.447 1674 N N 0.903 119.484 118.700 -0.199 0.000 2.104 1674 N HA -0.158 4.581 4.740 -0.001 0.000 0.190 1674 N C 1.854 177.234 175.510 -0.217 0.000 1.024 1674 N CA 1.189 54.089 53.050 -0.249 0.000 0.853 1674 N CB -0.571 37.694 38.487 -0.371 0.000 1.008 1674 N HN 0.511 nan 8.380 nan 0.000 0.424 1675 H N 0.759 119.831 119.070 0.003 0.000 2.357 1675 H HA 0.045 4.601 4.556 -0.001 0.000 0.301 1675 H C 2.441 177.772 175.328 0.005 0.000 1.082 1675 H CA 0.577 56.626 56.048 0.002 0.000 1.342 1675 H CB -0.563 29.199 29.762 0.001 0.000 1.389 1675 H HN -0.023 nan 8.280 nan 0.000 0.511 1676 V N 1.600 121.578 119.914 0.107 0.000 2.282 1676 V HA -0.295 3.824 4.120 -0.001 0.000 0.249 1676 V C 2.869 178.987 176.094 0.040 0.000 1.057 1676 V CA 1.764 64.103 62.300 0.064 0.000 1.032 1676 V CB -1.124 30.727 31.823 0.047 0.000 0.645 1676 V HN 0.486 nan 8.190 nan 0.000 0.447 1677 A N 0.062 122.896 122.820 0.022 0.000 1.845 1677 A HA -0.153 4.166 4.320 -0.001 0.000 0.215 1677 A C 2.465 180.060 177.584 0.019 0.000 1.195 1677 A CA 2.356 54.401 52.037 0.013 0.000 0.616 1677 A CB -1.046 17.953 19.000 -0.002 0.000 0.832 1677 A HN 0.607 nan 8.150 nan 0.000 0.443 1678 A N -0.371 122.464 122.820 0.024 0.000 1.940 1678 A HA 0.102 4.422 4.320 -0.001 0.000 0.219 1678 A C 2.460 180.063 177.584 0.033 0.000 1.176 1678 A CA 2.334 54.389 52.037 0.030 0.000 0.631 1678 A CB -0.935 18.091 19.000 0.044 0.000 0.814 1678 A HN 1.124 nan 8.150 nan 0.000 0.446 1679 A N -2.560 120.285 122.820 0.042 0.000 1.968 1679 A HA 0.370 4.689 4.320 -0.001 0.000 0.217 1679 A C 2.102 179.701 177.584 0.025 0.000 1.169 1679 A CA 1.832 53.889 52.037 0.034 0.000 0.638 1679 A CB -0.594 18.430 19.000 0.041 0.000 0.812 1679 A HN 1.788 nan 8.150 nan 0.000 0.446 1680 G N -1.859 106.956 108.800 0.025 0.000 2.799 1680 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.200 1680 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.200 1680 G C 0.448 175.361 174.900 0.021 0.000 1.206 1680 G CA 0.563 45.675 45.100 0.020 0.000 0.827 1680 G HN 1.848 nan 8.290 nan 0.000 0.511 1681 S N -0.792 114.923 115.700 0.025 0.000 2.638 1681 S HA 0.686 5.155 4.470 -0.001 0.000 0.274 1681 S C 1.149 175.768 174.600 0.032 0.000 1.157 1681 S CA 0.338 58.553 58.200 0.026 0.000 0.826 1681 S CB 1.687 64.900 63.200 0.023 0.000 1.139 1681 S HN 1.156 nan 8.310 nan 0.000 0.474 1682 V N 1.353 121.287 119.914 0.034 0.000 2.287 1682 V HA -0.182 3.937 4.120 -0.001 0.000 0.248 1682 V C 2.707 178.819 176.094 0.030 0.000 1.053 1682 V CA 2.080 64.403 62.300 0.037 0.000 1.027 1682 V CB -1.763 30.083 31.823 0.037 0.000 0.646 1682 V HN 1.023 nan 8.190 nan 0.000 0.447 1683 V N -1.294 118.635 119.914 0.025 0.000 2.490 1683 V HA -0.199 3.920 4.120 -0.001 0.000 0.250 1683 V C 2.122 178.226 176.094 0.017 0.000 1.061 1683 V CA 2.216 64.528 62.300 0.020 0.000 1.064 1683 V CB -0.930 30.904 31.823 0.018 0.000 0.670 1683 V HN 0.426 nan 8.190 nan 0.000 0.461 1684 D N 1.594 122.005 120.400 0.019 0.000 2.084 1684 D HA -0.074 4.565 4.640 -0.001 0.000 0.194 1684 D C 2.385 178.695 176.300 0.016 0.000 0.990 1684 D CA 2.098 56.108 54.000 0.016 0.000 0.826 1684 D CB -0.465 40.346 40.800 0.019 0.000 0.971 1684 D HN 0.565 nan 8.370 nan 0.000 0.453 1685 A N 1.051 123.885 122.820 0.025 0.000 1.908 1685 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 1685 A C 2.376 179.964 177.584 0.005 0.000 1.181 1685 A CA 0.998 53.050 52.037 0.025 0.000 0.627 1685 A CB -0.925 18.108 19.000 0.055 0.000 0.818 1685 A HN 0.240 nan 8.150 nan 0.000 0.445 1686 L N -1.033 120.196 121.223 0.010 0.000 2.012 1686 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 1686 L C 2.829 179.697 176.870 -0.003 0.000 1.073 1686 L CA 1.341 56.183 54.840 0.002 0.000 0.748 1686 L CB -0.257 41.807 42.059 0.009 0.000 0.891 1686 L HN 0.301 nan 8.230 nan 0.000 0.431 1687 R N -0.298 120.203 120.500 0.001 0.000 2.092 1687 R HA -0.081 4.259 4.340 -0.001 0.000 0.231 1687 R C 2.156 178.453 176.300 -0.006 0.000 1.119 1687 R CA 1.309 57.408 56.100 -0.001 0.000 0.970 1687 R CB -1.061 29.241 30.300 0.003 0.000 0.864 1687 R HN 0.434 nan 8.270 nan 0.000 0.440 1688 A N 0.690 123.506 122.820 -0.006 0.000 1.877 1688 A HA -0.113 4.206 4.320 -0.001 0.000 0.216 1688 A C 2.482 180.054 177.584 -0.021 0.000 1.186 1688 A CA 1.716 53.746 52.037 -0.010 0.000 0.620 1688 A CB -0.648 18.348 19.000 -0.007 0.000 0.822 1688 A HN 0.097 nan 8.150 nan 0.000 0.443 1689 V N 0.223 120.118 119.914 -0.031 0.000 2.358 1689 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 1689 V C 2.704 178.778 176.094 -0.033 0.000 1.047 1689 V CA 1.898 64.171 62.300 -0.045 0.000 1.035 1689 V CB -0.824 30.960 31.823 -0.065 0.000 0.658 1689 V HN 0.451 nan 8.190 nan 0.000 0.452 1690 R N 0.414 120.901 120.500 -0.023 0.000 2.091 1690 R HA -0.195 4.145 4.340 -0.001 0.000 0.238 1690 R C 2.120 178.410 176.300 -0.016 0.000 1.136 1690 R CA 1.959 58.049 56.100 -0.017 0.000 0.959 1690 R CB -1.022 29.272 30.300 -0.010 0.000 0.856 1690 R HN 0.567 nan 8.270 nan 0.000 0.437 1691 N N 0.310 119.002 118.700 -0.014 0.000 2.396 1691 N HA -0.071 4.669 4.740 -0.001 0.000 0.180 1691 N C 1.341 176.841 175.510 -0.015 0.000 1.028 1691 N CA 1.176 54.219 53.050 -0.012 0.000 0.893 1691 N CB 0.112 38.593 38.487 -0.009 0.000 0.967 1691 N HN 0.229 nan 8.380 nan 0.000 0.440 1692 A N -0.862 121.946 122.820 -0.020 0.000 1.997 1692 A HA 0.580 4.900 4.320 -0.001 0.000 0.212 1692 A C 0.995 178.563 177.584 -0.026 0.000 1.178 1692 A CA 0.763 52.786 52.037 -0.023 0.000 0.698 1692 A CB 0.061 19.044 19.000 -0.028 0.000 0.842 1692 A HN 0.272 nan 8.150 nan 0.000 0.458 1693 A N -0.029 122.774 122.820 -0.029 0.000 3.216 1693 A HA 0.567 4.886 4.320 -0.001 0.000 0.321 1693 A C -1.746 175.823 177.584 -0.025 0.000 1.042 1693 A CA -0.765 51.255 52.037 -0.030 0.000 0.838 1693 A CB 0.399 19.376 19.000 -0.038 0.000 1.136 1693 A HN 0.162 nan 8.150 nan 0.000 0.483 1694 P HA -0.149 nan 4.420 nan 0.000 0.225 1694 P C 0.352 177.644 177.300 -0.014 0.000 1.148 1694 P CA 1.332 64.423 63.100 -0.015 0.000 0.779 1694 P CB 0.206 31.898 31.700 -0.012 0.000 0.780 1695 D N -1.519 118.871 120.400 -0.017 0.000 2.349 1695 D HA 0.039 4.678 4.640 -0.001 0.000 0.214 1695 D C 0.435 176.725 176.300 -0.018 0.000 1.063 1695 D CA -0.221 53.770 54.000 -0.015 0.000 0.847 1695 D CB -0.126 40.664 40.800 -0.017 0.000 0.933 1695 D HN 0.123 nan 8.370 nan 0.000 0.513 1696 L N 1.662 122.872 121.223 -0.022 0.000 2.307 1696 L HA 0.417 4.756 4.340 -0.001 0.000 0.282 1696 L C -2.387 174.471 176.870 -0.020 0.000 1.051 1696 L CA -2.158 52.667 54.840 -0.025 0.000 0.804 1696 L CB 1.423 43.461 42.059 -0.035 0.000 1.197 1696 L HN -0.298 nan 8.230 nan 0.000 0.431 1697 P HA 0.028 nan 4.420 nan 0.000 0.262 1697 P C -0.967 176.327 177.300 -0.009 0.000 1.199 1697 P CA -0.070 63.026 63.100 -0.006 0.000 0.763 1697 P CB 0.245 31.944 31.700 -0.001 0.000 0.790 1698 C N 4.941 124.240 119.300 -0.003 0.000 2.273 1698 C HA 0.314 4.773 4.460 -0.001 0.000 0.328 1698 C C 0.076 175.071 174.990 0.008 0.000 1.275 1698 C CA -0.139 58.875 59.018 -0.006 0.000 1.704 1698 C CB -0.878 26.858 27.740 -0.007 0.000 2.326 1698 C HN 0.565 nan 8.230 nan 0.000 0.517 1699 E N 2.883 123.090 120.200 0.011 0.000 2.222 1699 E HA 0.593 4.942 4.350 -0.001 0.000 0.267 1699 E C -1.290 175.323 176.600 0.022 0.000 0.884 1699 E CA -0.480 55.937 56.400 0.027 0.000 0.764 1699 E CB 2.343 32.078 29.700 0.057 0.000 1.169 1699 E HN 0.472 nan 8.360 nan 0.000 0.413 1700 V N 2.183 122.109 119.914 0.021 0.000 2.709 1700 V HA 0.323 4.442 4.120 -0.001 0.000 0.308 1700 V C -1.127 174.976 176.094 0.016 0.000 1.062 1700 V CA -0.540 61.775 62.300 0.024 0.000 0.901 1700 V CB 1.857 33.694 31.823 0.023 0.000 1.003 1700 V HN 0.769 nan 8.190 nan 0.000 0.425 1701 E N 4.730 124.947 120.200 0.027 0.000 2.146 1701 E HA 0.597 4.946 4.350 -0.001 0.000 0.282 1701 E C -0.904 175.708 176.600 0.020 0.000 0.989 1701 E CA -0.535 55.872 56.400 0.012 0.000 0.799 1701 E CB 1.761 31.477 29.700 0.028 0.000 1.088 1701 E HN 0.836 nan 8.360 nan 0.000 0.397 1702 V N 1.802 121.717 119.914 0.002 0.000 2.769 1702 V HA 0.495 4.614 4.120 -0.001 0.000 0.312 1702 V C -0.411 175.764 176.094 0.135 0.000 1.061 1702 V CA -0.617 61.718 62.300 0.059 0.000 0.931 1702 V CB 1.897 33.762 31.823 0.070 0.000 1.010 1702 V HN 0.779 nan 8.190 nan 0.000 0.433 1703 D N 1.037 121.561 120.400 0.207 0.000 2.513 1703 D HA 0.309 4.948 4.640 -0.001 0.000 0.222 1703 D C 0.381 176.839 176.300 0.263 0.000 1.210 1703 D CA 0.559 54.733 54.000 0.291 0.000 0.825 1703 D CB 0.336 41.219 40.800 0.139 0.000 1.037 1703 D HN 1.007 nan 8.370 nan 0.000 0.506 1704 S N -1.171 114.683 115.700 0.257 0.000 2.570 1704 S HA 0.385 4.855 4.470 -0.001 0.000 0.270 1704 S C 0.346 175.017 174.600 0.118 0.000 1.149 1704 S CA -0.938 57.271 58.200 0.014 0.000 0.837 1704 S CB 0.863 64.062 63.200 -0.002 0.000 1.124 1704 S HN -0.004 nan 8.310 nan 0.000 0.465 1705 L N 0.808 121.993 121.223 -0.063 0.000 2.362 1705 L HA -0.004 4.335 4.340 -0.001 0.000 0.219 1705 L C 2.160 179.072 176.870 0.069 0.000 1.134 1705 L CA 1.099 55.968 54.840 0.050 0.000 0.807 1705 L CB -0.519 41.517 42.059 -0.039 0.000 0.927 1705 L HN 0.723 nan 8.230 nan 0.000 0.447 1706 E N 0.005 120.231 120.200 0.044 0.000 2.047 1706 E HA -0.210 4.140 4.350 -0.001 0.000 0.191 1706 E C 2.197 178.831 176.600 0.058 0.000 0.987 1706 E CA 1.050 57.477 56.400 0.044 0.000 0.799 1706 E CB -0.147 29.572 29.700 0.031 0.000 0.752 1706 E HN 0.426 nan 8.360 nan 0.000 0.449 1707 Q N -0.035 119.808 119.800 0.072 0.000 2.124 1707 Q HA -0.145 4.194 4.340 -0.001 0.000 0.202 1707 Q C 2.238 178.283 176.000 0.075 0.000 0.977 1707 Q CA 1.009 56.855 55.803 0.072 0.000 0.850 1707 Q CB -0.202 28.586 28.738 0.083 0.000 0.901 1707 Q HN 0.201 nan 8.270 nan 0.000 0.429 1708 L N 1.365 122.651 121.223 0.106 0.000 1.970 1708 L HA -0.229 4.110 4.340 -0.001 0.000 0.212 1708 L C 1.525 178.433 176.870 0.063 0.000 1.071 1708 L CA 2.035 56.929 54.840 0.090 0.000 0.751 1708 L CB -0.493 41.649 42.059 0.138 0.000 0.889 1708 L HN 0.092 nan 8.230 nan 0.000 0.432 1709 D N -0.031 120.408 120.400 0.064 0.000 2.158 1709 D HA -0.205 4.434 4.640 -0.001 0.000 0.197 1709 D C 2.162 178.485 176.300 0.039 0.000 0.995 1709 D CA 1.566 55.595 54.000 0.048 0.000 0.846 1709 D CB -0.259 40.569 40.800 0.046 0.000 0.941 1709 D HN 0.569 nan 8.370 nan 0.000 0.456 1710 A N 0.545 123.388 122.820 0.040 0.000 1.898 1710 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 1710 A C 2.427 180.028 177.584 0.029 0.000 1.181 1710 A CA 1.956 54.013 52.037 0.033 0.000 0.620 1710 A CB -0.610 18.410 19.000 0.033 0.000 0.819 1710 A HN 0.244 nan 8.150 nan 0.000 0.442 1711 V N -2.571 117.361 119.914 0.031 0.000 2.951 1711 V HA 0.024 4.143 4.120 -0.001 0.000 0.255 1711 V C 2.156 178.263 176.094 0.021 0.000 1.088 1711 V CA 1.049 63.364 62.300 0.025 0.000 1.109 1711 V CB -0.851 30.986 31.823 0.025 0.000 0.724 1711 V HN 0.411 nan 8.190 nan 0.000 0.471 1712 L N 0.909 122.146 121.223 0.023 0.000 2.013 1712 L HA -0.087 4.252 4.340 -0.001 0.000 0.212 1712 L C 0.577 177.457 176.870 0.017 0.000 1.073 1712 L CA 2.533 57.385 54.840 0.020 0.000 0.753 1712 L CB -1.789 40.284 42.059 0.023 0.000 0.890 1712 L HN 0.373 nan 8.230 nan 0.000 0.432 1713 P HA -0.166 nan 4.420 nan 0.000 0.220 1713 P C 0.937 178.245 177.300 0.013 0.000 1.148 1713 P CA 1.218 64.327 63.100 0.015 0.000 0.803 1713 P CB -0.052 31.657 31.700 0.016 0.000 0.782 1714 E N 0.485 120.694 120.200 0.013 0.000 2.409 1714 E HA -0.075 4.274 4.350 -0.001 0.000 0.198 1714 E C 0.460 177.066 176.600 0.010 0.000 1.024 1714 E CA 0.274 56.681 56.400 0.011 0.000 0.861 1714 E CB -0.556 29.151 29.700 0.012 0.000 0.788 1714 E HN 0.334 nan 8.360 nan 0.000 0.521 1715 K N 0.863 121.269 120.400 0.011 0.000 3.419 1715 K HA -0.145 4.174 4.320 -0.001 0.000 0.272 1715 K C -2.347 174.258 176.600 0.010 0.000 0.973 1715 K CA 0.260 56.553 56.287 0.010 0.000 0.749 1715 K CB -1.174 31.331 32.500 0.009 0.000 1.403 1715 K HN 0.248 nan 8.250 nan 0.000 0.456 1716 P HA 0.024 nan 4.420 nan 0.000 0.274 1716 P C 0.431 177.740 177.300 0.014 0.000 1.246 1716 P CA -0.008 63.098 63.100 0.011 0.000 0.795 1716 P CB 0.771 32.477 31.700 0.011 0.000 1.006 1717 E N -0.368 119.842 120.200 0.017 0.000 2.085 1717 E HA -0.034 4.315 4.350 -0.001 0.000 0.194 1717 E C 0.571 177.192 176.600 0.035 0.000 0.994 1717 E CA 1.242 57.657 56.400 0.025 0.000 0.801 1717 E CB -0.285 29.432 29.700 0.027 0.000 0.743 1717 E HN 0.335 nan 8.360 nan 0.000 0.453 1718 L N -0.901 120.340 121.223 0.031 0.000 2.518 1718 L HA 0.463 4.802 4.340 -0.001 0.000 0.257 1718 L C -1.698 175.179 176.870 0.013 0.000 0.980 1718 L CA -0.480 54.379 54.840 0.033 0.000 0.837 1718 L CB 1.680 43.765 42.059 0.043 0.000 1.410 1718 L HN -0.150 nan 8.230 nan 0.000 0.410 1719 I N 4.174 124.741 120.570 -0.006 0.000 2.436 1719 I HA 0.388 4.557 4.170 -0.001 0.000 0.289 1719 I C -1.128 174.948 176.117 -0.068 0.000 1.010 1719 I CA -0.622 60.658 61.300 -0.033 0.000 1.098 1719 I CB 1.937 39.910 38.000 -0.044 0.000 1.266 1719 I HN 0.428 nan 8.210 nan 0.000 0.434 1720 L N 6.757 127.935 121.223 -0.076 0.000 2.275 1720 L HA 0.381 4.720 4.340 -0.001 0.000 0.288 1720 L C -0.300 176.446 176.870 -0.207 0.000 1.046 1720 L CA -0.157 54.617 54.840 -0.110 0.000 0.805 1720 L CB 0.978 43.001 42.059 -0.061 0.000 1.193 1720 L HN 0.405 nan 8.230 nan 0.000 0.426 1721 L N 3.262 124.284 121.223 -0.336 0.000 2.302 1721 L HA 0.211 4.550 4.340 -0.001 0.000 0.285 1721 L C -0.118 176.510 176.870 -0.402 0.000 1.090 1721 L CA -0.432 53.975 54.840 -0.721 0.000 0.866 1721 L CB 0.255 41.740 42.059 -0.958 0.000 1.244 1721 L HN 0.530 nan 8.230 nan 0.000 0.435 1722 D N 4.620 124.913 120.400 -0.178 0.000 2.344 1722 D HA 0.004 4.644 4.640 -0.001 0.000 0.253 1722 D C 0.474 176.890 176.300 0.194 0.000 1.255 1722 D CA 0.242 54.256 54.000 0.022 0.000 0.894 1722 D CB 0.236 41.062 40.800 0.045 0.000 1.067 1722 D HN 0.406 nan 8.370 nan 0.000 0.492 1723 N N 3.153 121.938 118.700 0.141 0.000 2.727 1723 N HA -0.227 4.513 4.740 -0.001 0.000 0.251 1723 N C -0.943 174.751 175.510 0.307 0.000 1.040 1723 N CA 0.485 53.641 53.050 0.177 0.000 0.712 1723 N CB -1.006 37.551 38.487 0.117 0.000 0.912 1723 N HN 0.298 nan 8.380 nan 0.000 0.545 1724 F N 0.912 120.874 119.950 0.021 0.000 2.385 1724 F HA 0.530 5.056 4.527 -0.001 0.000 0.336 1724 F C 1.326 177.152 175.800 0.043 0.000 1.100 1724 F CA -0.975 57.009 58.000 -0.026 0.000 1.116 1724 F CB 0.797 39.771 39.000 -0.044 0.000 1.166 1724 F HN 0.153 nan 8.300 nan 0.000 0.511 1725 A N 2.594 125.389 122.820 -0.040 0.000 2.327 1725 A HA 0.378 4.697 4.320 -0.001 0.000 0.255 1725 A C 1.160 178.651 177.584 -0.156 0.000 1.099 1725 A CA -0.379 51.626 52.037 -0.055 0.000 0.801 1725 A CB 0.069 18.977 19.000 -0.153 0.000 1.062 1725 A HN 0.653 nan 8.150 nan 0.000 0.496 1726 V N 0.621 120.395 119.914 -0.234 0.000 2.343 1726 V HA -0.237 3.883 4.120 -0.001 0.000 0.247 1726 V C 2.287 178.305 176.094 -0.126 0.000 1.051 1726 V CA 2.299 64.383 62.300 -0.360 0.000 1.036 1726 V CB -1.180 30.419 31.823 -0.373 0.000 0.654 1726 V HN 1.050 nan 8.190 nan 0.000 0.451 1727 W N 0.757 122.016 121.300 -0.070 0.000 2.374 1727 W HA -0.171 4.488 4.660 -0.001 0.000 0.288 1727 W C 1.786 178.307 176.519 0.002 0.000 1.218 1727 W CA 1.123 58.447 57.345 -0.034 0.000 1.245 1727 W CB -0.866 28.572 29.460 -0.036 0.000 1.126 1727 W HN 0.295 nan 8.180 nan 0.000 0.545 1728 Q N 0.698 119.930 119.800 -0.946 0.000 2.230 1728 Q HA -0.082 4.257 4.340 -0.001 0.000 0.202 1728 Q C 2.300 178.243 176.000 -0.096 0.000 0.963 1728 Q CA 2.211 57.508 55.803 -0.844 0.000 0.866 1728 Q CB -0.268 27.768 28.738 -1.169 0.000 0.931 1728 Q HN 0.179 nan 8.270 nan 0.000 0.452 1729 T N 0.649 115.218 114.554 0.025 0.000 2.812 1729 T HA -0.181 4.168 4.350 -0.001 0.000 0.264 1729 T C 1.719 176.462 174.700 0.072 0.000 1.042 1729 T CA 1.326 63.508 62.100 0.136 0.000 1.140 1729 T CB -0.140 68.811 68.868 0.138 0.000 0.870 1729 T HN 0.161 nan 8.240 nan 0.000 0.445 1730 Q N 1.341 121.169 119.800 0.046 0.000 2.061 1730 Q HA -0.124 4.216 4.340 -0.001 0.000 0.204 1730 Q C 2.259 178.305 176.000 0.077 0.000 0.984 1730 Q CA 2.166 58.004 55.803 0.060 0.000 0.846 1730 Q CB -1.043 27.743 28.738 0.080 0.000 0.902 1730 Q HN 0.470 nan 8.270 nan 0.000 0.421 1731 T N 0.472 115.086 114.554 0.100 0.000 2.684 1731 T HA -0.166 4.183 4.350 -0.001 0.000 0.267 1731 T C 1.763 176.516 174.700 0.089 0.000 1.036 1731 T CA 1.625 63.791 62.100 0.108 0.000 1.148 1731 T CB -0.770 68.176 68.868 0.130 0.000 0.863 1731 T HN 0.488 nan 8.240 nan 0.000 0.436 1732 A N 0.976 123.858 122.820 0.103 0.000 1.908 1732 A HA -0.076 4.243 4.320 -0.001 0.000 0.218 1732 A C 2.607 180.221 177.584 0.049 0.000 1.181 1732 A CA 1.516 53.611 52.037 0.098 0.000 0.627 1732 A CB -1.064 18.005 19.000 0.115 0.000 0.818 1732 A HN 0.368 nan 8.150 nan 0.000 0.445 1733 V N -0.255 119.683 119.914 0.041 0.000 2.358 1733 V HA -0.315 3.804 4.120 -0.001 0.000 0.246 1733 V C 2.639 178.748 176.094 0.026 0.000 1.047 1733 V CA 2.265 64.578 62.300 0.022 0.000 1.035 1733 V CB -0.915 30.919 31.823 0.019 0.000 0.658 1733 V HN 0.648 nan 8.190 nan 0.000 0.452 1734 Q N -0.291 119.532 119.800 0.038 0.000 2.020 1734 Q HA -0.199 4.140 4.340 -0.001 0.000 0.202 1734 Q C 2.505 178.526 176.000 0.035 0.000 0.982 1734 Q CA 1.724 57.549 55.803 0.037 0.000 0.838 1734 Q CB -0.245 28.522 28.738 0.048 0.000 0.899 1734 Q HN 0.568 nan 8.270 nan 0.000 0.423 1735 R N 0.238 120.764 120.500 0.043 0.000 2.096 1735 R HA -0.096 4.243 4.340 -0.001 0.000 0.235 1735 R C 2.403 178.721 176.300 0.029 0.000 1.127 1735 R CA 0.929 57.053 56.100 0.040 0.000 0.968 1735 R CB -0.254 30.076 30.300 0.050 0.000 0.861 1735 R HN 0.114 nan 8.270 nan 0.000 0.440 1736 R N 1.433 121.948 120.500 0.025 0.000 2.066 1736 R HA -0.136 4.203 4.340 -0.001 0.000 0.232 1736 R C 1.053 177.359 176.300 0.011 0.000 1.131 1736 R CA 1.829 57.938 56.100 0.014 0.000 0.955 1736 R CB -0.391 29.912 30.300 0.006 0.000 0.851 1736 R HN 0.127 nan 8.270 nan 0.000 0.432 1737 D N 0.049 120.455 120.400 0.011 0.000 2.178 1737 D HA -0.114 4.526 4.640 -0.001 0.000 0.201 1737 D C 1.858 178.164 176.300 0.010 0.000 0.980 1737 D CA 1.912 55.916 54.000 0.007 0.000 0.842 1737 D CB -0.009 40.796 40.800 0.008 0.000 0.948 1737 D HN 0.413 nan 8.370 nan 0.000 0.472 1738 S N -0.623 115.086 115.700 0.014 0.000 2.439 1738 S HA 0.096 4.566 4.470 -0.001 0.000 0.224 1738 S C 1.820 176.428 174.600 0.014 0.000 1.029 1738 S CA 0.035 58.244 58.200 0.014 0.000 0.946 1738 S CB 0.255 63.466 63.200 0.018 0.000 0.797 1738 S HN 0.135 nan 8.310 nan 0.000 0.504 1739 R N 1.049 121.559 120.500 0.016 0.000 2.167 1739 R HA 0.476 4.815 4.340 -0.001 0.000 0.201 1739 R C 0.337 176.645 176.300 0.013 0.000 1.024 1739 R CA 0.775 56.884 56.100 0.015 0.000 1.053 1739 R CB 0.291 30.603 30.300 0.019 0.000 0.987 1739 R HN 0.384 nan 8.270 nan 0.000 0.493 1740 A N 1.197 124.024 122.820 0.011 0.000 3.300 1740 A HA 0.354 4.674 4.320 -0.001 0.000 0.300 1740 A C -2.345 175.242 177.584 0.006 0.000 1.099 1740 A CA -1.090 50.952 52.037 0.009 0.000 0.846 1740 A CB 0.774 19.780 19.000 0.010 0.000 1.255 1740 A HN -0.084 nan 8.150 nan 0.000 0.519 1741 P HA -0.184 nan 4.420 nan 0.000 0.220 1741 P C 1.665 178.964 177.300 -0.001 0.000 1.144 1741 P CA 2.271 65.371 63.100 0.000 0.000 0.800 1741 P CB 0.086 31.787 31.700 0.001 0.000 0.772 1742 T N -4.767 109.789 114.554 0.002 0.000 3.067 1742 T HA 0.051 4.400 4.350 -0.001 0.000 0.261 1742 T C 0.789 175.493 174.700 0.007 0.000 1.110 1742 T CA 0.039 62.142 62.100 0.004 0.000 1.113 1742 T CB -0.917 67.956 68.868 0.007 0.000 0.917 1742 T HN -0.183 nan 8.240 nan 0.000 0.499 1743 V N 4.185 124.102 119.914 0.006 0.000 2.479 1743 V HA 0.207 4.326 4.120 -0.001 0.000 0.281 1743 V C 0.665 176.762 176.094 0.004 0.000 1.031 1743 V CA -0.266 62.039 62.300 0.008 0.000 1.038 1743 V CB 0.062 31.889 31.823 0.006 0.000 0.981 1743 V HN 0.480 nan 8.190 nan 0.000 0.478 1744 M N 5.402 125.014 119.600 0.021 0.000 2.250 1744 M HA 0.395 4.875 4.480 -0.001 0.000 0.344 1744 M C -0.583 175.728 176.300 0.019 0.000 1.150 1744 M CA -0.412 54.902 55.300 0.024 0.000 1.147 1744 M CB 1.068 33.737 32.600 0.115 0.000 1.498 1744 M HN 0.315 nan 8.290 nan 0.000 0.461 1745 L N 1.832 123.049 121.223 -0.010 0.000 2.365 1745 L HA 0.476 4.815 4.340 -0.001 0.000 0.273 1745 L C -0.365 176.510 176.870 0.008 0.000 1.000 1745 L CA -0.241 54.584 54.840 -0.024 0.000 0.819 1745 L CB 1.739 43.768 42.059 -0.050 0.000 1.284 1745 L HN 0.717 nan 8.230 nan 0.000 0.418 1746 E N 1.295 121.489 120.200 -0.010 0.000 2.260 1746 E HA 0.483 4.832 4.350 -0.001 0.000 0.266 1746 E C -1.339 175.217 176.600 -0.074 0.000 0.887 1746 E CA -0.389 56.017 56.400 0.011 0.000 0.777 1746 E CB 1.429 31.135 29.700 0.011 0.000 1.205 1746 E HN 0.571 nan 8.360 nan 0.000 0.414 1747 S N 2.221 117.883 115.700 -0.063 0.000 2.523 1747 S HA 0.384 4.853 4.470 -0.001 0.000 0.275 1747 S C -0.635 173.885 174.600 -0.132 0.000 1.281 1747 S CA -0.406 57.730 58.200 -0.107 0.000 1.050 1747 S CB 1.339 64.490 63.200 -0.082 0.000 0.937 1747 S HN 0.427 nan 8.310 nan 0.000 0.492 1748 S N 1.816 117.435 115.700 -0.134 0.000 2.547 1748 S HA 0.800 5.269 4.470 -0.001 0.000 0.281 1748 S C 0.250 174.800 174.600 -0.084 0.000 1.118 1748 S CA 0.342 58.476 58.200 -0.110 0.000 0.947 1748 S CB 0.972 64.124 63.200 -0.080 0.000 1.053 1748 S HN 1.166 nan 8.310 nan 0.000 0.482 1749 G N 3.244 111.999 108.800 -0.075 0.000 1.954 1749 G HA2 0.038 3.997 3.960 -0.001 0.000 0.169 1749 G HA3 0.038 3.997 3.960 -0.001 0.000 0.169 1749 G C 0.513 175.394 174.900 -0.032 0.000 1.013 1749 G CA 0.024 45.105 45.100 -0.032 0.000 1.258 1749 G HN 1.525 nan 8.290 nan 0.000 0.442 1750 G N 0.770 109.554 108.800 -0.027 0.000 3.455 1750 G HA2 0.497 4.456 3.960 -0.001 0.000 0.250 1750 G HA3 0.497 4.456 3.960 -0.001 0.000 0.250 1750 G C -0.274 174.595 174.900 -0.051 0.000 1.071 1750 G CA 0.152 45.256 45.100 0.008 0.000 1.812 1750 G HN 0.429 nan 8.290 nan 0.000 0.643 1751 L N 1.646 122.824 121.223 -0.075 0.000 2.289 1751 L HA 0.629 4.969 4.340 -0.001 0.000 0.285 1751 L C 0.504 177.509 176.870 0.225 0.000 1.049 1751 L CA -0.718 54.112 54.840 -0.017 0.000 0.804 1751 L CB 1.605 43.635 42.059 -0.049 0.000 1.195 1751 L HN 0.271 nan 8.230 nan 0.000 0.428 1752 S N 1.944 117.800 115.700 0.259 0.000 2.595 1752 S HA 0.440 4.909 4.470 -0.001 0.000 0.281 1752 S C 0.427 174.967 174.600 -0.100 0.000 1.117 1752 S CA -0.722 57.608 58.200 0.217 0.000 0.873 1752 S CB 1.212 64.473 63.200 0.101 0.000 1.108 1752 S HN 0.362 nan 8.310 nan 0.000 0.477 1753 L N 1.424 122.374 121.223 -0.454 0.000 2.261 1753 L HA -0.046 4.293 4.340 -0.001 0.000 0.216 1753 L C 2.511 179.134 176.870 -0.412 0.000 1.114 1753 L CA 1.825 56.121 54.840 -0.908 0.000 0.777 1753 L CB -1.074 40.504 42.059 -0.801 0.000 0.910 1753 L HN 0.809 nan 8.230 nan 0.000 0.440 1754 Q N -1.593 118.091 119.800 -0.193 0.000 2.187 1754 Q HA -0.047 4.293 4.340 -0.001 0.000 0.199 1754 Q C 1.836 177.817 176.000 -0.031 0.000 0.957 1754 Q CA 1.601 57.347 55.803 -0.096 0.000 0.857 1754 Q CB -1.046 27.667 28.738 -0.042 0.000 0.929 1754 Q HN 0.644 nan 8.270 nan 0.000 0.453 1755 T N -2.575 111.995 114.554 0.025 0.000 3.044 1755 T HA 0.445 4.794 4.350 -0.001 0.000 0.250 1755 T C 1.947 176.779 174.700 0.219 0.000 1.081 1755 T CA 0.442 62.632 62.100 0.150 0.000 1.040 1755 T CB 0.088 69.120 68.868 0.274 0.000 0.962 1755 T HN 0.225 nan 8.240 nan 0.000 0.506 1756 A N 2.349 125.225 122.820 0.094 0.000 1.896 1756 A HA 0.029 4.348 4.320 -0.001 0.000 0.220 1756 A C 2.784 180.464 177.584 0.161 0.000 1.206 1756 A CA 2.353 54.480 52.037 0.150 0.000 0.647 1756 A CB -1.536 17.461 19.000 -0.005 0.000 0.828 1756 A HN 0.796 nan 8.150 nan 0.000 0.455 1757 A N -1.587 121.277 122.820 0.074 0.000 1.972 1757 A HA -0.052 4.268 4.320 -0.001 0.000 0.219 1757 A C 2.285 179.917 177.584 0.080 0.000 1.169 1757 A CA 2.275 54.349 52.037 0.063 0.000 0.635 1757 A CB -1.215 17.796 19.000 0.017 0.000 0.810 1757 A HN 0.484 nan 8.150 nan 0.000 0.446 1758 T N -1.217 113.391 114.554 0.089 0.000 2.708 1758 T HA -0.161 4.189 4.350 -0.001 0.000 0.266 1758 T C 1.730 176.445 174.700 0.025 0.000 1.037 1758 T CA 1.837 63.958 62.100 0.035 0.000 1.146 1758 T CB -0.454 68.415 68.868 0.002 0.000 0.865 1758 T HN 0.561 nan 8.240 nan 0.000 0.435 1759 Y N 1.375 121.705 120.300 0.049 0.000 2.200 1759 Y HA 0.019 4.569 4.550 -0.001 0.000 0.290 1759 Y C 2.748 178.671 175.900 0.037 0.000 1.137 1759 Y CA 0.792 58.922 58.100 0.050 0.000 1.163 1759 Y CB -0.679 37.821 38.460 0.067 0.000 0.988 1759 Y HN 0.189 nan 8.280 nan 0.000 0.518 1760 A N 0.100 123.041 122.820 0.201 0.000 1.940 1760 A HA -0.239 4.080 4.320 -0.001 0.000 0.219 1760 A C 1.976 179.598 177.584 0.062 0.000 1.176 1760 A CA 1.905 54.009 52.037 0.113 0.000 0.631 1760 A CB -0.642 18.416 19.000 0.098 0.000 0.814 1760 A HN 0.528 nan 8.150 nan 0.000 0.446 1761 E N -0.603 119.628 120.200 0.052 0.000 2.333 1761 E HA -0.127 4.223 4.350 -0.001 0.000 0.198 1761 E C 2.043 178.654 176.600 0.018 0.000 1.007 1761 E CA 1.298 57.713 56.400 0.025 0.000 0.845 1761 E CB -0.223 29.487 29.700 0.016 0.000 0.766 1761 E HN 0.888 nan 8.360 nan 0.000 0.507 1762 T N -3.265 111.302 114.554 0.023 0.000 2.962 1762 T HA 0.007 4.356 4.350 -0.001 0.000 0.270 1762 T C 1.611 176.321 174.700 0.017 0.000 1.088 1762 T CA 0.818 62.928 62.100 0.018 0.000 1.127 1762 T CB 0.172 69.053 68.868 0.022 0.000 0.883 1762 T HN 0.266 nan 8.240 nan 0.000 0.493 1763 G N 0.790 109.598 108.800 0.013 0.000 2.163 1763 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.213 1763 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.213 1763 G C 0.109 174.994 174.900 -0.024 0.000 0.991 1763 G CA -0.149 44.947 45.100 -0.007 0.000 0.653 1763 G HN 1.302 nan 8.290 nan 0.000 0.518 1764 V N -1.473 118.436 119.914 -0.009 0.000 3.139 1764 V HA 0.337 4.457 4.120 -0.001 0.000 0.307 1764 V C 1.263 177.296 176.094 -0.102 0.000 1.095 1764 V CA 0.747 63.026 62.300 -0.035 0.000 1.160 1764 V CB 0.809 32.635 31.823 0.005 0.000 1.003 1764 V HN 0.181 nan 8.190 nan 0.000 0.489 1765 D N 0.535 120.819 120.400 -0.193 0.000 2.213 1765 D HA 0.084 4.724 4.640 -0.001 0.000 0.205 1765 D C -0.157 175.760 176.300 -0.638 0.000 0.961 1765 D CA 1.660 55.387 54.000 -0.455 0.000 0.853 1765 D CB 0.228 40.670 40.800 -0.596 0.000 0.967 1765 D HN 0.698 nan 8.370 nan 0.000 0.496 1766 Y N -0.739 119.526 120.300 -0.057 0.000 2.615 1766 Y HA 0.471 5.020 4.550 -0.001 0.000 0.341 1766 Y C -0.747 175.105 175.900 -0.080 0.000 1.089 1766 Y CA -1.086 56.968 58.100 -0.077 0.000 1.049 1766 Y CB 1.477 39.858 38.460 -0.132 0.000 1.296 1766 Y HN -0.313 nan 8.280 nan 0.000 0.470 1767 L N 1.912 123.196 121.223 0.100 0.000 2.372 1767 L HA 0.755 5.094 4.340 -0.001 0.000 0.274 1767 L C -0.459 176.347 176.870 -0.106 0.000 0.988 1767 L CA -0.724 54.110 54.840 -0.010 0.000 0.833 1767 L CB 1.496 43.575 42.059 0.033 0.000 1.236 1767 L HN 0.769 nan 8.230 nan 0.000 0.410 1768 A N 4.369 127.100 122.820 -0.148 0.000 2.302 1768 A HA 0.658 4.977 4.320 -0.001 0.000 0.295 1768 A C -0.534 176.893 177.584 -0.261 0.000 1.235 1768 A CA -0.359 51.563 52.037 -0.191 0.000 0.876 1768 A CB 0.253 19.163 19.000 -0.150 0.000 1.133 1768 A HN 0.407 nan 8.150 nan 0.000 0.533 1769 V N 3.878 123.577 119.914 -0.359 0.000 2.304 1769 V HA 0.348 4.467 4.120 -0.001 0.000 0.278 1769 V C 1.387 177.238 176.094 -0.405 0.000 1.018 1769 V CA 0.216 62.200 62.300 -0.527 0.000 0.814 1769 V CB 0.781 32.000 31.823 -1.007 0.000 1.021 1769 V HN 1.046 nan 8.190 nan 0.000 0.440 1770 G N 3.276 111.902 108.800 -0.290 0.000 2.443 1770 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.219 1770 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.219 1770 G C 1.543 175.981 174.900 -0.770 0.000 1.131 1770 G CA 1.026 45.962 45.100 -0.274 0.000 0.775 1770 G HN 0.818 nan 8.290 nan 0.000 0.547 1771 A N 0.462 122.810 122.820 -0.786 0.000 2.076 1771 A HA 0.057 4.377 4.320 -0.001 0.000 0.220 1771 A C 2.258 179.568 177.584 -0.456 0.000 1.160 1771 A CA 1.107 52.689 52.037 -0.757 0.000 0.653 1771 A CB -0.280 18.574 19.000 -0.243 0.000 0.801 1771 A HN 0.292 nan 8.150 nan 0.000 0.455 1772 L N 0.114 121.087 121.223 -0.416 0.000 2.079 1772 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 1772 L C 2.801 179.542 176.870 -0.214 0.000 1.081 1772 L CA 2.582 57.254 54.840 -0.280 0.000 0.752 1772 L CB -1.070 40.806 42.059 -0.304 0.000 0.896 1772 L HN 0.681 nan 8.230 nan 0.000 0.433 1773 T N -4.416 110.003 114.554 -0.226 0.000 3.018 1773 T HA 0.081 4.430 4.350 -0.001 0.000 0.246 1773 T C 0.635 175.336 174.700 0.002 0.000 1.026 1773 T CA 0.097 62.138 62.100 -0.098 0.000 1.081 1773 T CB -0.350 68.489 68.868 -0.048 0.000 0.970 1773 T HN 0.427 nan 8.240 nan 0.000 0.475 1774 H N 0.662 119.733 119.070 0.001 0.000 2.544 1774 H HA 0.718 5.274 4.556 -0.001 0.000 0.342 1774 H C 0.142 175.483 175.328 0.021 0.000 1.185 1774 H CA -0.902 55.159 56.048 0.022 0.000 1.264 1774 H CB 0.725 30.492 29.762 0.009 0.000 1.607 1774 H HN 0.017 nan 8.280 nan 0.000 0.550 1775 S N -0.980 114.915 115.700 0.326 0.000 3.706 1775 S HA -0.152 4.317 4.470 -0.001 0.000 0.363 1775 S C 0.047 174.696 174.600 0.082 0.000 0.999 1775 S CA 0.577 58.903 58.200 0.210 0.000 1.143 1775 S CB -2.448 60.915 63.200 0.271 0.000 0.902 1775 S HN 1.086 nan 8.310 nan 0.000 0.476 1776 V N -0.300 119.657 119.914 0.072 0.000 2.539 1776 V HA 0.721 4.841 4.120 -0.001 0.000 0.292 1776 V C 0.269 176.382 176.094 0.032 0.000 1.045 1776 V CA -0.978 61.324 62.300 0.005 0.000 0.945 1776 V CB 1.844 33.593 31.823 -0.123 0.000 0.993 1776 V HN 0.455 nan 8.190 nan 0.000 0.464 1777 R N 4.013 124.519 120.500 0.010 0.000 2.294 1777 R HA 0.575 4.914 4.340 -0.001 0.000 0.319 1777 R C -0.735 175.572 176.300 0.011 0.000 0.984 1777 R CA -0.565 55.550 56.100 0.025 0.000 0.861 1777 R CB 1.785 32.100 30.300 0.025 0.000 1.104 1777 R HN 0.836 nan 8.270 nan 0.000 0.451 1778 V N 5.344 125.279 119.914 0.035 0.000 2.872 1778 V HA 0.017 4.136 4.120 -0.001 0.000 0.307 1778 V C -0.213 175.892 176.094 0.018 0.000 1.072 1778 V CA -0.072 62.250 62.300 0.037 0.000 1.148 1778 V CB 0.979 32.836 31.823 0.058 0.000 0.954 1778 V HN 0.595 nan 8.190 nan 0.000 0.490 1779 L N 5.633 126.863 121.223 0.013 0.000 2.260 1779 L HA 0.426 4.765 4.340 -0.001 0.000 0.289 1779 L C -0.080 176.798 176.870 0.014 0.000 1.057 1779 L CA -0.004 54.841 54.840 0.008 0.000 0.811 1779 L CB 1.007 43.068 42.059 0.003 0.000 1.184 1779 L HN 0.734 nan 8.230 nan 0.000 0.429 1780 D N 5.544 125.952 120.400 0.012 0.000 2.382 1780 D HA 0.274 4.914 4.640 -0.001 0.000 0.259 1780 D C -0.619 175.687 176.300 0.010 0.000 1.224 1780 D CA 0.542 54.549 54.000 0.012 0.000 0.894 1780 D CB 0.190 40.996 40.800 0.010 0.000 1.127 1780 D HN 0.427 nan 8.370 nan 0.000 0.487 1781 I N 2.251 122.827 120.570 0.010 0.000 2.730 1781 I HA 0.588 4.757 4.170 -0.001 0.000 0.298 1781 I C 0.631 176.751 176.117 0.005 0.000 1.089 1781 I CA -0.981 60.323 61.300 0.007 0.000 1.041 1781 I CB 2.501 40.506 38.000 0.009 0.000 1.235 1781 I HN 0.369 nan 8.210 nan 0.000 0.423 1782 G N 3.677 112.479 108.800 0.003 0.000 2.605 1782 G HA2 0.671 4.630 3.960 -0.001 0.000 0.296 1782 G HA3 0.671 4.630 3.960 -0.001 0.000 0.296 1782 G C -1.995 172.904 174.900 -0.002 0.000 1.304 1782 G CA -0.601 44.499 45.100 0.001 0.000 0.941 1782 G HN 0.384 nan 8.290 nan 0.000 0.475 1783 L N 1.102 122.323 121.223 -0.004 0.000 2.277 1783 L HA 0.513 4.852 4.340 -0.001 0.000 0.284 1783 L C -1.160 175.708 176.870 -0.003 0.000 1.028 1783 L CA -0.795 54.041 54.840 -0.006 0.000 0.835 1783 L CB 1.076 43.128 42.059 -0.011 0.000 1.215 1783 L HN 0.243 nan 8.230 nan 0.000 0.425 1784 D N 6.399 126.799 120.400 -0.001 0.000 2.280 1784 D HA 0.491 5.130 4.640 -0.001 0.000 0.236 1784 D C -0.084 176.216 176.300 0.001 0.000 1.082 1784 D CA 0.126 54.126 54.000 0.000 0.000 0.834 1784 D CB 1.560 42.361 40.800 0.002 0.000 1.100 1784 D HN 0.505 nan 8.370 nan 0.000 0.486 1785 M N 0.000 119.601 119.600 0.002 0.000 2.572 1785 M HA 0.000 4.479 4.480 -0.001 0.000 0.227 1785 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1785 M CB 0.000 32.602 32.600 0.002 0.000 1.302 1785 M HN 0.000 nan 8.290 nan 0.000 0.411