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 1qpn_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 0.000 174.859 174.900 -0.068 0.000 0.946 1502 G CA 0.000 45.126 45.100 0.043 0.000 0.502 1503 L N 2.588 123.687 121.223 -0.208 0.000 2.360 1503 L HA 0.408 4.747 4.340 -0.001 0.000 0.276 1503 L C 1.427 178.215 176.870 -0.138 0.000 1.121 1503 L CA -0.541 54.112 54.840 -0.311 0.000 0.845 1503 L CB 1.227 43.090 42.059 -0.327 0.000 1.143 1503 L HN 0.708 nan 8.230 nan 0.000 0.452 1504 S N 0.224 115.866 115.700 -0.096 0.000 2.624 1504 S HA 0.077 4.546 4.470 -0.001 0.000 0.263 1504 S C 0.777 175.376 174.600 -0.003 0.000 1.287 1504 S CA -0.313 57.886 58.200 -0.003 0.000 0.990 1504 S CB 1.168 64.409 63.200 0.068 0.000 0.950 1504 S HN 0.713 nan 8.310 nan 0.000 0.561 1505 D N 0.372 120.803 120.400 0.051 0.000 2.149 1505 D HA -0.220 4.420 4.640 -0.001 0.000 0.198 1505 D C 1.586 177.966 176.300 0.132 0.000 0.990 1505 D CA 1.369 55.408 54.000 0.066 0.000 0.839 1505 D CB -0.572 40.273 40.800 0.075 0.000 0.948 1505 D HN 0.784 nan 8.370 nan 0.000 0.460 1506 W N 1.641 122.928 121.300 -0.022 0.000 2.381 1506 W HA -0.160 4.499 4.660 -0.001 0.000 0.301 1506 W C 1.491 177.994 176.519 -0.028 0.000 1.205 1506 W CA 1.097 58.431 57.345 -0.019 0.000 1.285 1506 W CB 0.047 29.501 29.460 -0.010 0.000 1.133 1506 W HN -0.005 nan 8.180 nan 0.000 0.521 1507 E N 0.729 120.701 120.200 -0.380 0.000 2.106 1507 E HA -0.245 4.104 4.350 -0.001 0.000 0.192 1507 E C 2.093 178.461 176.600 -0.386 0.000 0.984 1507 E CA 1.328 57.392 56.400 -0.559 0.000 0.806 1507 E CB -0.392 29.074 29.700 -0.390 0.000 0.750 1507 E HN 0.139 nan 8.360 nan 0.000 0.458 1508 L N 0.497 121.585 121.223 -0.225 0.000 2.083 1508 L HA -0.124 4.215 4.340 -0.001 0.000 0.209 1508 L C 2.111 178.902 176.870 -0.132 0.000 1.083 1508 L CA 1.685 56.431 54.840 -0.156 0.000 0.752 1508 L CB -0.463 41.546 42.059 -0.084 0.000 0.899 1508 L HN 0.064 nan 8.230 nan 0.000 0.433 1509 A N -1.192 121.563 122.820 -0.108 0.000 1.929 1509 A HA 0.001 4.320 4.320 -0.001 0.000 0.216 1509 A C 2.420 179.927 177.584 -0.130 0.000 1.176 1509 A CA 1.321 53.328 52.037 -0.051 0.000 0.628 1509 A CB -0.841 18.212 19.000 0.088 0.000 0.816 1509 A HN 0.441 nan 8.150 nan 0.000 0.444 1510 A N 0.044 122.667 122.820 -0.329 0.000 1.898 1510 A HA 0.190 4.509 4.320 -0.001 0.000 0.216 1510 A C 2.487 179.935 177.584 -0.227 0.000 1.181 1510 A CA 1.962 53.777 52.037 -0.371 0.000 0.620 1510 A CB -0.974 17.607 19.000 -0.698 0.000 0.819 1510 A HN 0.956 nan 8.150 nan 0.000 0.442 1511 A N -0.011 122.675 122.820 -0.223 0.000 1.858 1511 A HA -0.183 4.136 4.320 -0.001 0.000 0.216 1511 A C 2.244 179.767 177.584 -0.103 0.000 1.190 1511 A CA 1.578 53.523 52.037 -0.154 0.000 0.617 1511 A CB -0.552 18.351 19.000 -0.161 0.000 0.827 1511 A HN 0.532 nan 8.150 nan 0.000 0.443 1512 R N -0.602 119.845 120.500 -0.087 0.000 2.091 1512 R HA -0.152 4.187 4.340 -0.001 0.000 0.238 1512 R C 2.438 178.712 176.300 -0.044 0.000 1.136 1512 R CA 1.323 57.391 56.100 -0.053 0.000 0.959 1512 R CB -0.508 29.770 30.300 -0.036 0.000 0.856 1512 R HN 0.538 nan 8.270 nan 0.000 0.437 1513 A N 1.050 123.842 122.820 -0.047 0.000 1.930 1513 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 1513 A C 2.343 179.905 177.584 -0.036 0.000 1.175 1513 A CA 1.545 53.563 52.037 -0.031 0.000 0.627 1513 A CB -0.473 18.516 19.000 -0.019 0.000 0.815 1513 A HN 0.399 nan 8.150 nan 0.000 0.443 1514 A N 0.560 123.347 122.820 -0.054 0.000 1.873 1514 A HA -0.015 4.304 4.320 -0.001 0.000 0.215 1514 A C 2.102 179.661 177.584 -0.042 0.000 1.186 1514 A CA 1.622 53.628 52.037 -0.051 0.000 0.616 1514 A CB -0.773 18.188 19.000 -0.066 0.000 0.823 1514 A HN 1.105 nan 8.150 nan 0.000 0.442 1515 I N -1.111 119.432 120.570 -0.045 0.000 2.264 1515 I HA -0.106 4.063 4.170 -0.001 0.000 0.248 1515 I C 2.246 178.346 176.117 -0.028 0.000 1.111 1515 I CA 1.728 63.005 61.300 -0.037 0.000 1.382 1515 I CB -0.705 37.271 38.000 -0.040 0.000 1.060 1515 I HN 0.189 nan 8.210 nan 0.000 0.418 1516 A N 1.396 124.200 122.820 -0.026 0.000 1.858 1516 A HA -0.155 4.164 4.320 -0.001 0.000 0.216 1516 A C 2.487 180.060 177.584 -0.018 0.000 1.190 1516 A CA 1.865 53.890 52.037 -0.019 0.000 0.617 1516 A CB -0.747 18.243 19.000 -0.016 0.000 0.827 1516 A HN 0.532 nan 8.150 nan 0.000 0.443 1517 R N -0.719 119.770 120.500 -0.019 0.000 2.127 1517 R HA -0.109 4.230 4.340 -0.001 0.000 0.238 1517 R C 2.321 178.613 176.300 -0.014 0.000 1.134 1517 R CA 1.053 57.143 56.100 -0.016 0.000 0.975 1517 R CB -0.611 29.679 30.300 -0.017 0.000 0.865 1517 R HN 0.546 nan 8.270 nan 0.000 0.447 1518 G N 1.386 110.175 108.800 -0.018 0.000 2.453 1518 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.215 1518 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.215 1518 G C 1.431 176.328 174.900 -0.005 0.000 1.201 1518 G CA 0.420 45.512 45.100 -0.013 0.000 0.784 1518 G HN 0.124 nan 8.290 nan 0.000 0.545 1519 L N 0.470 121.687 121.223 -0.009 0.000 2.127 1519 L HA -0.078 4.261 4.340 -0.001 0.000 0.211 1519 L C 2.493 179.360 176.870 -0.004 0.000 1.089 1519 L CA 1.412 56.249 54.840 -0.005 0.000 0.757 1519 L CB -0.352 41.701 42.059 -0.010 0.000 0.899 1519 L HN 0.241 nan 8.230 nan 0.000 0.434 1520 D N 0.100 120.494 120.400 -0.010 0.000 2.144 1520 D HA -0.190 4.449 4.640 -0.001 0.000 0.200 1520 D C 2.021 178.313 176.300 -0.014 0.000 0.978 1520 D CA 1.141 55.128 54.000 -0.020 0.000 0.833 1520 D CB 0.167 40.951 40.800 -0.026 0.000 0.961 1520 D HN 0.320 nan 8.370 nan 0.000 0.470 1521 E N -0.232 119.975 120.200 0.012 0.000 2.110 1521 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 1521 E C 1.421 178.089 176.600 0.112 0.000 0.988 1521 E CA 1.062 57.496 56.400 0.056 0.000 0.804 1521 E CB 0.009 29.741 29.700 0.054 0.000 0.745 1521 E HN 0.317 nan 8.360 nan 0.000 0.458 1522 D N 0.272 120.716 120.400 0.073 0.000 2.162 1522 D HA -0.027 4.612 4.640 -0.001 0.000 0.203 1522 D C 1.675 178.034 176.300 0.099 0.000 0.967 1522 D CA 0.720 54.773 54.000 0.090 0.000 0.840 1522 D CB 0.197 41.024 40.800 0.045 0.000 0.972 1522 D HN 0.112 nan 8.370 nan 0.000 0.482 1523 L N 0.006 121.254 121.223 0.042 0.000 2.567 1523 L HA 0.204 4.543 4.340 -0.001 0.000 0.225 1523 L C 2.241 179.085 176.870 -0.043 0.000 1.119 1523 L CA -0.062 54.787 54.840 0.015 0.000 0.871 1523 L CB 0.023 42.080 42.059 -0.003 0.000 1.036 1523 L HN -0.098 nan 8.230 nan 0.000 0.459 1524 R N 0.608 121.035 120.500 -0.121 0.000 2.139 1524 R HA -0.204 4.135 4.340 -0.001 0.000 0.243 1524 R C 1.113 177.082 176.300 -0.552 0.000 1.145 1524 R CA 1.772 57.648 56.100 -0.373 0.000 0.976 1524 R CB -0.118 29.844 30.300 -0.564 0.000 0.866 1524 R HN 0.332 nan 8.270 nan 0.000 0.449 1525 Y N -0.258 120.039 120.300 -0.004 0.000 2.495 1525 Y HA 0.366 4.915 4.550 -0.001 0.000 0.293 1525 Y C 0.838 176.736 175.900 -0.003 0.000 1.186 1525 Y CA 0.328 58.426 58.100 -0.004 0.000 1.266 1525 Y CB 0.663 39.120 38.460 -0.004 0.000 1.101 1525 Y HN 0.341 nan 8.280 nan 0.000 0.517 1526 G N 0.540 109.363 108.800 0.039 0.000 2.479 1526 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.686 1526 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.686 1526 G C -2.994 171.930 174.900 0.039 0.000 1.295 1526 G CA -1.338 43.783 45.100 0.035 0.000 0.922 1526 G HN -0.038 nan 8.290 nan 0.000 0.582 1527 P HA 0.337 nan 4.420 nan 0.000 0.276 1527 P C -0.642 176.675 177.300 0.028 0.000 1.261 1527 P CA -0.296 62.817 63.100 0.022 0.000 0.800 1527 P CB 0.788 32.497 31.700 0.014 0.000 1.066 1528 D N 0.592 121.005 120.400 0.023 0.000 2.482 1528 D HA -0.041 4.599 4.640 -0.001 0.000 0.244 1528 D C 1.365 177.675 176.300 0.017 0.000 1.242 1528 D CA 0.001 54.014 54.000 0.021 0.000 1.097 1528 D CB -0.531 40.278 40.800 0.016 0.000 1.109 1528 D HN 0.036 nan 8.370 nan 0.000 0.510 1529 V N 3.380 123.305 119.914 0.019 0.000 2.453 1529 V HA -0.239 3.880 4.120 -0.001 0.000 0.252 1529 V C 2.007 178.108 176.094 0.011 0.000 1.068 1529 V CA 2.763 65.072 62.300 0.015 0.000 1.070 1529 V CB -0.530 31.303 31.823 0.017 0.000 0.664 1529 V HN 0.659 nan 8.190 nan 0.000 0.461 1530 T N -0.437 114.123 114.554 0.010 0.000 2.857 1530 T HA -0.161 4.188 4.350 -0.001 0.000 0.266 1530 T C 1.993 176.697 174.700 0.007 0.000 1.048 1530 T CA 2.511 64.615 62.100 0.007 0.000 1.139 1530 T CB -0.645 68.226 68.868 0.005 0.000 0.874 1530 T HN 0.866 nan 8.240 nan 0.000 0.455 1531 T N 0.946 115.505 114.554 0.007 0.000 2.737 1531 T HA -0.014 4.335 4.350 -0.001 0.000 0.265 1531 T C 1.929 176.634 174.700 0.007 0.000 1.038 1531 T CA 0.935 63.039 62.100 0.007 0.000 1.144 1531 T CB -0.770 68.102 68.868 0.007 0.000 0.866 1531 T HN 0.214 nan 8.240 nan 0.000 0.434 1532 L N 2.144 123.372 121.223 0.008 0.000 2.021 1532 L HA -0.041 4.298 4.340 -0.001 0.000 0.215 1532 L C 3.096 179.970 176.870 0.007 0.000 1.074 1532 L CA 1.914 56.759 54.840 0.008 0.000 0.760 1532 L CB -1.413 40.651 42.059 0.009 0.000 0.889 1532 L HN 0.467 nan 8.230 nan 0.000 0.433 1533 A N -1.710 121.114 122.820 0.007 0.000 1.930 1533 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 1533 A C 2.306 179.893 177.584 0.005 0.000 1.175 1533 A CA 2.138 54.178 52.037 0.006 0.000 0.627 1533 A CB -0.790 18.213 19.000 0.006 0.000 0.815 1533 A HN 0.548 nan 8.150 nan 0.000 0.443 1534 T N -3.911 110.646 114.554 0.005 0.000 3.040 1534 T HA 0.289 4.638 4.350 -0.001 0.000 0.252 1534 T C 0.524 175.227 174.700 0.005 0.000 1.064 1534 T CA 0.586 62.689 62.100 0.005 0.000 1.110 1534 T CB -0.386 68.484 68.868 0.004 0.000 0.921 1534 T HN 0.649 nan 8.240 nan 0.000 0.480 1535 V N 4.158 124.075 119.914 0.005 0.000 2.417 1535 V HA 0.597 4.716 4.120 -0.001 0.000 0.291 1535 V C -2.796 173.302 176.094 0.006 0.000 1.024 1535 V CA -2.814 59.489 62.300 0.006 0.000 0.861 1535 V CB 1.742 33.568 31.823 0.006 0.000 0.985 1535 V HN 0.120 nan 8.190 nan 0.000 0.436 1536 P HA 0.168 nan 4.420 nan 0.000 0.269 1536 P C 0.514 177.818 177.300 0.008 0.000 1.215 1536 P CA 0.148 63.252 63.100 0.006 0.000 0.780 1536 P CB 1.459 33.162 31.700 0.006 0.000 0.898 1537 A N 2.454 125.279 122.820 0.008 0.000 2.067 1537 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 1537 A C 1.988 179.578 177.584 0.010 0.000 1.158 1537 A CA 1.775 53.817 52.037 0.009 0.000 0.661 1537 A CB -1.271 17.734 19.000 0.008 0.000 0.801 1537 A HN 0.641 nan 8.150 nan 0.000 0.452 1538 S N -0.417 115.288 115.700 0.008 0.000 2.528 1538 S HA 0.485 4.954 4.470 -0.001 0.000 0.219 1538 S C 0.988 175.594 174.600 0.010 0.000 0.985 1538 S CA 0.232 58.438 58.200 0.009 0.000 0.914 1538 S CB -0.545 62.659 63.200 0.007 0.000 0.776 1538 S HN 0.810 nan 8.310 nan 0.000 0.526 1539 A N 1.506 124.332 122.820 0.010 0.000 2.511 1539 A HA 0.508 4.827 4.320 -0.001 0.000 0.242 1539 A C 0.274 177.867 177.584 0.014 0.000 1.069 1539 A CA 0.219 52.263 52.037 0.011 0.000 0.763 1539 A CB 0.015 19.020 19.000 0.010 0.000 1.001 1539 A HN 0.296 nan 8.150 nan 0.000 0.498 1540 T N 1.498 116.061 114.554 0.015 0.000 2.916 1540 T HA 0.709 5.059 4.350 -0.001 0.000 0.298 1540 T C -0.241 174.469 174.700 0.017 0.000 1.031 1540 T CA -0.068 62.044 62.100 0.019 0.000 0.993 1540 T CB 1.645 70.525 68.868 0.019 0.000 1.045 1540 T HN 0.961 nan 8.240 nan 0.000 0.454 1541 T N -0.007 114.559 114.554 0.020 0.000 2.838 1541 T HA 0.712 5.061 4.350 -0.001 0.000 0.292 1541 T C -0.719 173.994 174.700 0.021 0.000 1.113 1541 T CA -0.884 61.226 62.100 0.017 0.000 1.008 1541 T CB 1.726 70.601 68.868 0.013 0.000 1.259 1541 T HN 0.388 nan 8.240 nan 0.000 0.520 1542 T N 1.197 115.762 114.554 0.017 0.000 2.779 1542 T HA 0.766 5.115 4.350 -0.001 0.000 0.280 1542 T C -0.457 174.251 174.700 0.014 0.000 0.987 1542 T CA -0.526 61.585 62.100 0.019 0.000 0.966 1542 T CB 1.092 69.970 68.868 0.017 0.000 0.933 1542 T HN 1.014 nan 8.240 nan 0.000 0.442 1543 A N 2.388 125.216 122.820 0.013 0.000 2.469 1543 A HA 0.899 5.218 4.320 -0.001 0.000 0.299 1543 A C -0.533 177.053 177.584 0.004 0.000 1.098 1543 A CA -0.758 51.283 52.037 0.006 0.000 0.737 1543 A CB 1.783 20.783 19.000 -0.000 0.000 1.312 1543 A HN 0.647 nan 8.150 nan 0.000 0.414 1544 S N 0.149 115.849 115.700 0.001 0.000 2.547 1544 S HA 0.559 5.028 4.470 -0.001 0.000 0.281 1544 S C -0.990 173.608 174.600 -0.002 0.000 1.118 1544 S CA -0.431 57.770 58.200 0.001 0.000 0.947 1544 S CB 1.082 64.285 63.200 0.004 0.000 1.053 1544 S HN 0.553 nan 8.310 nan 0.000 0.482 1545 L N 3.655 124.876 121.223 -0.004 0.000 2.260 1545 L HA 0.570 4.909 4.340 -0.001 0.000 0.289 1545 L C -0.132 176.738 176.870 -0.000 0.000 1.057 1545 L CA -0.609 54.228 54.840 -0.005 0.000 0.811 1545 L CB 0.928 42.982 42.059 -0.007 0.000 1.184 1545 L HN 0.457 nan 8.230 nan 0.000 0.429 1546 V N 0.846 120.760 119.914 0.000 0.000 2.680 1546 V HA 0.613 4.733 4.120 -0.001 0.000 0.309 1546 V C 0.209 176.304 176.094 0.002 0.000 1.052 1546 V CA -0.468 61.833 62.300 0.002 0.000 0.908 1546 V CB 1.981 33.805 31.823 0.002 0.000 1.001 1546 V HN 0.740 nan 8.190 nan 0.000 0.431 1547 T N 3.080 117.636 114.554 0.003 0.000 2.907 1547 T HA 0.457 4.806 4.350 -0.001 0.000 0.298 1547 T C 0.599 175.301 174.700 0.002 0.000 1.017 1547 T CA -0.397 61.705 62.100 0.003 0.000 1.118 1547 T CB 1.232 70.101 68.868 0.002 0.000 0.948 1547 T HN 0.787 nan 8.240 nan 0.000 0.531 1548 R N 0.569 121.070 120.500 0.003 0.000 2.334 1548 R HA 0.198 4.537 4.340 -0.001 0.000 0.216 1548 R C 0.722 177.023 176.300 0.002 0.000 0.905 1548 R CA 0.169 56.271 56.100 0.003 0.000 1.064 1548 R CB 0.239 30.541 30.300 0.003 0.000 1.046 1548 R HN 0.913 nan 8.270 nan 0.000 0.508 1549 E N -1.798 118.403 120.200 0.002 0.000 2.445 1549 E HA 0.613 4.962 4.350 -0.001 0.000 0.279 1549 E C -1.402 175.198 176.600 -0.000 0.000 1.018 1549 E CA -1.242 55.159 56.400 0.001 0.000 0.816 1549 E CB 1.013 30.714 29.700 0.001 0.000 1.356 1549 E HN -0.072 nan 8.360 nan 0.000 0.462 1550 A N 0.104 122.923 122.820 -0.001 0.000 2.322 1550 A HA 0.827 5.146 4.320 -0.001 0.000 0.269 1550 A C 0.378 177.960 177.584 -0.003 0.000 1.094 1550 A CA 0.526 52.562 52.037 -0.002 0.000 0.807 1550 A CB 0.704 19.702 19.000 -0.003 0.000 1.047 1550 A HN 0.941 nan 8.150 nan 0.000 0.487 1551 G N -1.329 107.469 108.800 -0.004 0.000 2.335 1551 G HA2 0.479 4.438 3.960 -0.001 0.000 0.291 1551 G HA3 0.479 4.438 3.960 -0.001 0.000 0.291 1551 G C -1.662 173.233 174.900 -0.007 0.000 1.261 1551 G CA 0.017 45.113 45.100 -0.006 0.000 0.871 1551 G HN 1.190 nan 8.290 nan 0.000 0.491 1552 V N 0.282 120.189 119.914 -0.011 0.000 2.495 1552 V HA 0.654 4.774 4.120 -0.001 0.000 0.298 1552 V C 0.137 176.221 176.094 -0.017 0.000 1.031 1552 V CA -0.759 61.532 62.300 -0.015 0.000 0.871 1552 V CB 1.344 33.154 31.823 -0.022 0.000 0.988 1552 V HN 1.002 nan 8.190 nan 0.000 0.432 1553 V N 4.958 124.865 119.914 -0.011 0.000 2.509 1553 V HA 0.929 5.048 4.120 -0.001 0.000 0.284 1553 V C 0.145 176.238 176.094 -0.002 0.000 1.047 1553 V CA 0.272 62.570 62.300 -0.003 0.000 0.952 1553 V CB 1.216 33.044 31.823 0.007 0.000 0.988 1553 V HN 1.215 nan 8.190 nan 0.000 0.469 1554 A N 4.223 127.049 122.820 0.011 0.000 2.574 1554 A HA 0.784 5.103 4.320 -0.001 0.000 0.297 1554 A C 0.437 178.080 177.584 0.099 0.000 1.062 1554 A CA -0.006 52.056 52.037 0.042 0.000 0.686 1554 A CB 1.533 20.510 19.000 -0.038 0.000 1.285 1554 A HN 2.385 nan 8.150 nan 0.000 0.403 1555 G N -0.045 108.871 108.800 0.193 0.000 2.134 1555 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.209 1555 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.209 1555 G C 0.537 175.470 174.900 0.056 0.000 0.993 1555 G CA 0.380 45.560 45.100 0.133 0.000 0.669 1555 G HN 1.036 nan 8.290 nan 0.000 0.519 1556 L N 1.249 122.506 121.223 0.056 0.000 2.046 1556 L HA 0.086 4.425 4.340 -0.001 0.000 0.208 1556 L C 2.372 179.241 176.870 -0.002 0.000 1.077 1556 L CA 2.444 57.298 54.840 0.022 0.000 0.747 1556 L CB -0.514 41.562 42.059 0.029 0.000 0.896 1556 L HN 0.327 nan 8.230 nan 0.000 0.432 1557 D N -1.033 119.362 120.400 -0.008 0.000 2.218 1557 D HA -0.123 4.517 4.640 -0.001 0.000 0.204 1557 D C 2.263 178.531 176.300 -0.053 0.000 0.976 1557 D CA 1.005 54.985 54.000 -0.034 0.000 0.853 1557 D CB 0.092 40.853 40.800 -0.063 0.000 0.939 1557 D HN 0.210 nan 8.370 nan 0.000 0.481 1558 V N 1.420 121.299 119.914 -0.058 0.000 2.667 1558 V HA -0.158 3.961 4.120 -0.001 0.000 0.252 1558 V C 2.528 178.588 176.094 -0.057 0.000 1.065 1558 V CA 1.411 63.674 62.300 -0.062 0.000 1.083 1558 V CB -0.552 31.241 31.823 -0.051 0.000 0.692 1558 V HN 0.155 nan 8.190 nan 0.000 0.468 1559 A N 0.048 122.837 122.820 -0.052 0.000 1.873 1559 A HA -0.115 4.205 4.320 -0.001 0.000 0.215 1559 A C 2.084 179.595 177.584 -0.122 0.000 1.186 1559 A CA 1.471 53.464 52.037 -0.073 0.000 0.616 1559 A CB -0.511 18.453 19.000 -0.060 0.000 0.823 1559 A HN 0.378 nan 8.150 nan 0.000 0.442 1560 L N -0.087 121.072 121.223 -0.105 0.000 2.042 1560 L HA -0.134 4.206 4.340 -0.001 0.000 0.210 1560 L C 2.482 179.297 176.870 -0.091 0.000 1.076 1560 L CA 1.449 56.212 54.840 -0.129 0.000 0.749 1560 L CB -1.270 40.786 42.059 -0.005 0.000 0.893 1560 L HN 0.376 nan 8.230 nan 0.000 0.432 1561 L N -1.336 119.856 121.223 -0.050 0.000 2.191 1561 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 1561 L C 2.263 179.107 176.870 -0.043 0.000 1.103 1561 L CA 1.237 56.058 54.840 -0.030 0.000 0.769 1561 L CB -0.882 41.151 42.059 -0.043 0.000 0.908 1561 L HN 0.288 nan 8.230 nan 0.000 0.438 1562 T N -0.207 114.303 114.554 -0.075 0.000 2.857 1562 T HA -0.082 4.267 4.350 -0.001 0.000 0.266 1562 T C 1.858 176.505 174.700 -0.089 0.000 1.048 1562 T CA 0.762 62.819 62.100 -0.072 0.000 1.139 1562 T CB -0.002 68.821 68.868 -0.075 0.000 0.874 1562 T HN 0.025 nan 8.240 nan 0.000 0.455 1563 L N 1.904 123.020 121.223 -0.178 0.000 2.072 1563 L HA 0.055 4.395 4.340 -0.001 0.000 0.205 1563 L C 2.260 179.122 176.870 -0.013 0.000 1.079 1563 L CA 1.360 56.052 54.840 -0.247 0.000 0.752 1563 L CB -1.364 40.201 42.059 -0.823 0.000 0.906 1563 L HN 0.175 nan 8.230 nan 0.000 0.436 1564 N N -0.092 118.658 118.700 0.084 0.000 2.061 1564 N HA -0.243 4.497 4.740 -0.001 0.000 0.193 1564 N C 1.885 177.444 175.510 0.083 0.000 1.030 1564 N CA 1.358 54.512 53.050 0.174 0.000 0.856 1564 N CB -0.095 38.465 38.487 0.121 0.000 1.023 1564 N HN 0.327 nan 8.380 nan 0.000 0.424 1565 E N 0.405 120.625 120.200 0.034 0.000 2.072 1565 E HA -0.035 4.314 4.350 -0.001 0.000 0.191 1565 E C 1.826 178.437 176.600 0.017 0.000 0.985 1565 E CA 0.704 57.114 56.400 0.017 0.000 0.801 1565 E CB -0.048 29.651 29.700 -0.003 0.000 0.750 1565 E HN 0.086 nan 8.360 nan 0.000 0.452 1566 V N -0.123 119.799 119.914 0.012 0.000 2.500 1566 V HA -0.052 4.067 4.120 -0.001 0.000 0.243 1566 V C 2.104 178.217 176.094 0.032 0.000 1.039 1566 V CA 1.208 63.515 62.300 0.012 0.000 1.053 1566 V CB -0.158 31.661 31.823 -0.006 0.000 0.695 1566 V HN 0.264 nan 8.190 nan 0.000 0.463 1567 L N -0.433 120.827 121.223 0.063 0.000 2.463 1567 L HA 0.506 4.845 4.340 -0.001 0.000 0.219 1567 L C 0.987 177.918 176.870 0.103 0.000 1.088 1567 L CA 0.743 55.642 54.840 0.098 0.000 0.849 1567 L CB 0.032 42.191 42.059 0.167 0.000 1.012 1567 L HN 0.510 nan 8.230 nan 0.000 0.468 1568 G N -0.469 108.397 108.800 0.109 0.000 2.784 1568 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.686 1568 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.686 1568 G C 0.350 175.309 174.900 0.098 0.000 1.156 1568 G CA -0.317 44.827 45.100 0.074 0.000 0.757 1568 G HN -0.041 nan 8.290 nan 0.000 0.642 1569 T N 0.702 115.290 114.554 0.057 0.000 2.714 1569 T HA -0.210 4.139 4.350 -0.001 0.000 0.268 1569 T C 1.646 176.240 174.700 -0.177 0.000 1.036 1569 T CA 2.167 64.275 62.100 0.014 0.000 1.148 1569 T CB -0.175 68.688 68.868 -0.008 0.000 0.856 1569 T HN 0.571 nan 8.240 nan 0.000 0.462 1570 N N 0.252 118.861 118.700 -0.152 0.000 2.389 1570 N HA 0.301 5.041 4.740 -0.001 0.000 0.260 1570 N C 1.095 176.497 175.510 -0.180 0.000 1.191 1570 N CA -0.061 52.852 53.050 -0.229 0.000 0.885 1570 N CB 0.518 38.926 38.487 -0.130 0.000 1.162 1570 N HN 0.414 nan 8.380 nan 0.000 0.512 1571 G N -0.395 108.337 108.800 -0.113 0.000 3.141 1571 G HA2 0.120 4.079 3.960 -0.001 0.000 0.218 1571 G HA3 0.120 4.079 3.960 -0.001 0.000 0.218 1571 G C -0.165 174.801 174.900 0.111 0.000 1.170 1571 G CA 0.198 45.319 45.100 0.036 0.000 0.769 1571 G HN 0.356 nan 8.290 nan 0.000 0.546 1572 Y N -2.600 117.699 120.300 -0.002 0.000 2.670 1572 Y HA 0.780 5.330 4.550 -0.001 0.000 0.334 1572 Y C -0.870 175.029 175.900 -0.001 0.000 1.185 1572 Y CA -2.328 55.771 58.100 -0.001 0.000 1.053 1572 Y CB 1.139 39.598 38.460 -0.002 0.000 1.298 1572 Y HN -0.099 nan 8.280 nan 0.000 0.459 1573 R N 1.450 122.014 120.500 0.107 0.000 2.532 1573 R HA 0.728 5.067 4.340 -0.001 0.000 0.297 1573 R C -2.181 174.201 176.300 0.136 0.000 0.984 1573 R CA -0.846 55.276 56.100 0.035 0.000 0.884 1573 R CB 2.056 32.361 30.300 0.009 0.000 1.182 1573 R HN 0.744 nan 8.270 nan 0.000 0.442 1574 V N 6.780 126.770 119.914 0.127 0.000 2.385 1574 V HA 0.107 4.226 4.120 -0.001 0.000 0.269 1574 V C 0.630 176.763 176.094 0.064 0.000 1.043 1574 V CA -0.302 62.071 62.300 0.122 0.000 0.906 1574 V CB 1.286 33.188 31.823 0.131 0.000 0.995 1574 V HN 0.770 nan 8.190 nan 0.000 0.467 1575 L N 3.067 124.322 121.223 0.053 0.000 2.202 1575 L HA 0.345 4.684 4.340 -0.001 0.000 0.205 1575 L C 0.658 177.545 176.870 0.028 0.000 1.083 1575 L CA 1.137 55.997 54.840 0.034 0.000 0.790 1575 L CB -0.475 41.601 42.059 0.029 0.000 0.942 1575 L HN 0.784 nan 8.230 nan 0.000 0.452 1576 D N -1.487 118.932 120.400 0.031 0.000 2.663 1576 D HA 0.512 5.151 4.640 -0.001 0.000 0.233 1576 D C -0.954 175.361 176.300 0.025 0.000 1.240 1576 D CA -0.591 53.424 54.000 0.025 0.000 0.774 1576 D CB 1.520 42.332 40.800 0.019 0.000 1.443 1576 D HN 0.094 nan 8.370 nan 0.000 0.441 1577 R N 0.275 120.789 120.500 0.023 0.000 2.716 1577 R HA 0.800 5.139 4.340 -0.001 0.000 0.271 1577 R C -1.798 174.514 176.300 0.019 0.000 1.028 1577 R CA -0.966 55.147 56.100 0.022 0.000 0.883 1577 R CB 0.887 31.203 30.300 0.027 0.000 1.250 1577 R HN 0.162 nan 8.270 nan 0.000 0.465 1578 V N 0.926 120.851 119.914 0.018 0.000 2.850 1578 V HA 0.343 4.462 4.120 -0.001 0.000 0.315 1578 V C -0.374 175.733 176.094 0.021 0.000 1.064 1578 V CA -0.768 61.542 62.300 0.017 0.000 0.979 1578 V CB 1.995 33.827 31.823 0.014 0.000 1.039 1578 V HN 0.703 nan 8.190 nan 0.000 0.452 1579 E N 1.685 121.898 120.200 0.021 0.000 2.343 1579 E HA 0.247 4.596 4.350 -0.001 0.000 0.269 1579 E C -0.796 175.821 176.600 0.029 0.000 1.047 1579 E CA -0.519 55.897 56.400 0.027 0.000 0.874 1579 E CB 0.670 30.385 29.700 0.024 0.000 1.033 1579 E HN 0.540 nan 8.360 nan 0.000 0.409 1580 D N 0.139 120.566 120.400 0.045 0.000 2.488 1580 D HA 0.256 4.895 4.640 -0.001 0.000 0.238 1580 D C 1.109 177.419 176.300 0.016 0.000 1.138 1580 D CA 1.541 55.569 54.000 0.047 0.000 0.873 1580 D CB 0.534 41.398 40.800 0.107 0.000 1.183 1580 D HN 0.625 nan 8.370 nan 0.000 0.458 1581 G N 0.960 109.755 108.800 -0.008 0.000 2.157 1581 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.239 1581 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.239 1581 G C 0.354 175.248 174.900 -0.010 0.000 0.982 1581 G CA 0.129 45.216 45.100 -0.022 0.000 0.650 1581 G HN 0.801 nan 8.290 nan 0.000 0.527 1582 A N 0.641 123.460 122.820 -0.002 0.000 2.354 1582 A HA 0.743 5.062 4.320 -0.001 0.000 0.269 1582 A C 0.704 178.286 177.584 -0.003 0.000 1.109 1582 A CA -0.383 51.654 52.037 0.000 0.000 0.800 1582 A CB 0.456 19.459 19.000 0.005 0.000 1.045 1582 A HN 0.343 nan 8.150 nan 0.000 0.489 1583 R N 1.328 121.826 120.500 -0.002 0.000 2.340 1583 R HA 0.476 4.815 4.340 -0.001 0.000 0.300 1583 R C -0.968 175.331 176.300 -0.001 0.000 1.069 1583 R CA -0.329 55.769 56.100 -0.003 0.000 0.984 1583 R CB 0.781 31.079 30.300 -0.003 0.000 1.003 1583 R HN 0.377 nan 8.270 nan 0.000 0.459 1584 V N 5.436 125.349 119.914 -0.002 0.000 2.709 1584 V HA 0.409 4.529 4.120 -0.001 0.000 0.308 1584 V C -2.068 174.025 176.094 -0.001 0.000 1.062 1584 V CA -1.940 60.360 62.300 -0.000 0.000 0.901 1584 V CB 2.965 34.789 31.823 0.001 0.000 1.003 1584 V HN 0.680 nan 8.190 nan 0.000 0.425 1585 P HA 0.398 nan 4.420 nan 0.000 0.278 1585 P C -2.520 174.780 177.300 0.000 0.000 1.266 1585 P CA -1.606 61.493 63.100 -0.000 0.000 0.807 1585 P CB 1.098 32.798 31.700 0.000 0.000 1.094 1586 P HA -0.205 nan 4.420 nan 0.000 0.207 1586 P C 1.374 178.675 177.300 0.001 0.000 0.954 1586 P CA 2.213 65.314 63.100 0.001 0.000 0.990 1586 P CB -0.779 30.921 31.700 0.000 0.000 0.721 1587 G N -0.794 108.007 108.800 0.001 0.000 3.229 1587 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.214 1587 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.214 1587 G C 0.186 175.087 174.900 0.003 0.000 1.256 1587 G CA -0.021 45.080 45.100 0.002 0.000 1.042 1587 G HN 0.234 nan 8.290 nan 0.000 0.497 1588 E N 0.826 121.028 120.200 0.003 0.000 2.376 1588 E HA 0.432 4.781 4.350 -0.001 0.000 0.266 1588 E C 0.318 176.921 176.600 0.004 0.000 1.009 1588 E CA -0.128 56.274 56.400 0.003 0.000 0.902 1588 E CB 0.726 30.428 29.700 0.003 0.000 0.972 1588 E HN 0.161 nan 8.360 nan 0.000 0.439 1589 A N 5.808 128.631 122.820 0.005 0.000 2.279 1589 A HA 0.266 4.585 4.320 -0.001 0.000 0.306 1589 A C 0.734 178.322 177.584 0.007 0.000 1.300 1589 A CA -0.412 51.628 52.037 0.005 0.000 0.925 1589 A CB 0.010 19.014 19.000 0.006 0.000 1.152 1589 A HN 0.830 nan 8.150 nan 0.000 0.544 1590 L N 1.792 123.019 121.223 0.006 0.000 2.240 1590 L HA 0.201 4.541 4.340 -0.001 0.000 0.211 1590 L C 0.946 177.821 176.870 0.009 0.000 1.106 1590 L CA 0.775 55.620 54.840 0.008 0.000 0.793 1590 L CB -0.250 41.813 42.059 0.007 0.000 0.927 1590 L HN 0.783 nan 8.230 nan 0.000 0.446 1591 M N -0.750 118.855 119.600 0.008 0.000 2.373 1591 M HA 0.319 4.798 4.480 -0.001 0.000 0.290 1591 M C -1.727 174.579 176.300 0.010 0.000 1.143 1591 M CA -0.156 55.150 55.300 0.010 0.000 0.949 1591 M CB 2.415 35.018 32.600 0.005 0.000 1.756 1591 M HN -0.286 nan 8.290 nan 0.000 0.494 1592 T N 5.767 120.331 114.554 0.017 0.000 2.809 1592 T HA 0.726 5.075 4.350 -0.001 0.000 0.284 1592 T C -0.983 173.736 174.700 0.031 0.000 0.992 1592 T CA -0.601 61.510 62.100 0.019 0.000 0.957 1592 T CB 0.927 69.805 68.868 0.018 0.000 0.942 1592 T HN 0.561 nan 8.240 nan 0.000 0.439 1593 L N 0.562 121.804 121.223 0.032 0.000 2.283 1593 L HA 0.865 5.204 4.340 -0.001 0.000 0.259 1593 L C -0.369 176.535 176.870 0.056 0.000 1.027 1593 L CA -1.139 53.736 54.840 0.059 0.000 0.828 1593 L CB 1.450 43.550 42.059 0.069 0.000 1.380 1593 L HN 0.486 nan 8.230 nan 0.000 0.425 1594 E N 0.177 120.425 120.200 0.081 0.000 2.216 1594 E HA 0.798 5.147 4.350 -0.001 0.000 0.260 1594 E C -1.501 175.156 176.600 0.094 0.000 0.880 1594 E CA -0.592 55.847 56.400 0.065 0.000 0.765 1594 E CB 1.633 31.363 29.700 0.048 0.000 1.174 1594 E HN 0.990 nan 8.360 nan 0.000 0.417 1595 A N 3.859 126.725 122.820 0.077 0.000 2.593 1595 A HA 0.333 4.652 4.320 -0.001 0.000 0.290 1595 A C -1.071 176.548 177.584 0.058 0.000 1.126 1595 A CA -0.758 51.337 52.037 0.097 0.000 0.695 1595 A CB 1.642 20.711 19.000 0.115 0.000 1.290 1595 A HN 0.627 nan 8.150 nan 0.000 0.414 1596 Q N 0.367 120.202 119.800 0.059 0.000 2.274 1596 Q HA 0.097 4.436 4.340 -0.001 0.000 0.280 1596 Q C 0.435 176.452 176.000 0.028 0.000 1.047 1596 Q CA 0.831 56.657 55.803 0.038 0.000 0.907 1596 Q CB 0.495 29.255 28.738 0.036 0.000 1.171 1596 Q HN 0.785 nan 8.270 nan 0.000 0.381 1597 T N 4.598 119.165 114.554 0.020 0.000 2.699 1597 T HA -0.191 4.158 4.350 -0.001 0.000 0.268 1597 T C 1.495 176.202 174.700 0.011 0.000 1.036 1597 T CA 1.643 63.751 62.100 0.014 0.000 1.147 1597 T CB -0.009 68.866 68.868 0.012 0.000 0.862 1597 T HN 0.598 nan 8.240 nan 0.000 0.446 1598 R N 0.296 120.803 120.500 0.012 0.000 2.096 1598 R HA -0.013 4.327 4.340 -0.001 0.000 0.235 1598 R C 2.921 179.226 176.300 0.009 0.000 1.127 1598 R CA 1.224 57.330 56.100 0.010 0.000 0.968 1598 R CB -0.661 29.646 30.300 0.011 0.000 0.861 1598 R HN 0.456 nan 8.270 nan 0.000 0.440 1599 G N 1.050 109.858 108.800 0.013 0.000 2.421 1599 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.216 1599 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.216 1599 G C 1.433 176.331 174.900 -0.003 0.000 1.171 1599 G CA 0.389 45.496 45.100 0.011 0.000 0.775 1599 G HN 0.122 nan 8.290 nan 0.000 0.543 1600 L N -0.382 120.838 121.223 -0.004 0.000 2.012 1600 L HA -0.079 4.260 4.340 -0.001 0.000 0.210 1600 L C 2.738 179.599 176.870 -0.015 0.000 1.073 1600 L CA 0.457 55.286 54.840 -0.018 0.000 0.748 1600 L CB -0.354 41.698 42.059 -0.012 0.000 0.891 1600 L HN 0.143 nan 8.230 nan 0.000 0.431 1601 L N -0.778 120.441 121.223 -0.006 0.000 2.265 1601 L HA -0.155 4.184 4.340 -0.001 0.000 0.215 1601 L C 2.417 179.284 176.870 -0.003 0.000 1.117 1601 L CA 1.720 56.558 54.840 -0.004 0.000 0.782 1601 L CB -1.084 40.976 42.059 0.001 0.000 0.914 1601 L HN 0.199 nan 8.230 nan 0.000 0.441 1602 T N -1.406 113.146 114.554 -0.004 0.000 2.976 1602 T HA 0.069 4.418 4.350 -0.001 0.000 0.257 1602 T C 1.889 176.584 174.700 -0.008 0.000 1.051 1602 T CA 0.889 62.988 62.100 -0.002 0.000 1.141 1602 T CB 0.106 68.975 68.868 0.001 0.000 0.881 1602 T HN 0.348 nan 8.240 nan 0.000 0.461 1603 A N 1.335 124.144 122.820 -0.018 0.000 1.930 1603 A HA 0.013 4.333 4.320 -0.001 0.000 0.215 1603 A C 2.054 179.621 177.584 -0.029 0.000 1.176 1603 A CA 1.386 53.405 52.037 -0.030 0.000 0.632 1603 A CB -0.517 18.452 19.000 -0.052 0.000 0.819 1603 A HN 0.544 nan 8.150 nan 0.000 0.445 1604 E N -0.197 119.988 120.200 -0.025 0.000 2.110 1604 E HA -0.385 3.964 4.350 -0.001 0.000 0.225 1604 E C 2.224 178.814 176.600 -0.015 0.000 1.063 1604 E CA 2.188 58.575 56.400 -0.021 0.000 0.906 1604 E CB -0.187 29.505 29.700 -0.014 0.000 0.795 1604 E HN 0.381 nan 8.360 nan 0.000 0.479 1605 R N 0.092 120.586 120.500 -0.009 0.000 2.091 1605 R HA -0.084 4.255 4.340 -0.001 0.000 0.238 1605 R C 2.292 178.588 176.300 -0.008 0.000 1.136 1605 R CA 2.336 58.432 56.100 -0.006 0.000 0.959 1605 R CB -1.075 29.224 30.300 -0.002 0.000 0.856 1605 R HN 0.244 nan 8.270 nan 0.000 0.437 1606 T N 0.736 115.283 114.554 -0.011 0.000 2.737 1606 T HA -0.122 4.228 4.350 -0.001 0.000 0.265 1606 T C 1.728 176.417 174.700 -0.018 0.000 1.038 1606 T CA 1.571 63.662 62.100 -0.015 0.000 1.144 1606 T CB -0.228 68.629 68.868 -0.018 0.000 0.866 1606 T HN 0.344 nan 8.240 nan 0.000 0.434 1607 M N 0.482 120.068 119.600 -0.025 0.000 2.086 1607 M HA -0.079 4.400 4.480 -0.001 0.000 0.261 1607 M C 1.666 177.958 176.300 -0.015 0.000 1.067 1607 M CA 1.553 56.835 55.300 -0.030 0.000 1.116 1607 M CB -0.158 32.414 32.600 -0.046 0.000 1.348 1607 M HN 0.113 nan 8.290 nan 0.000 0.407 1608 L N 1.119 122.336 121.223 -0.010 0.000 2.093 1608 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 1608 L C 2.133 179.012 176.870 0.014 0.000 1.085 1608 L CA 1.535 56.376 54.840 0.001 0.000 0.755 1608 L CB -1.892 40.167 42.059 0.000 0.000 0.904 1608 L HN 0.375 nan 8.230 nan 0.000 0.435 1609 N N -0.606 118.101 118.700 0.011 0.000 2.166 1609 N HA -0.163 4.577 4.740 -0.001 0.000 0.186 1609 N C 1.764 177.298 175.510 0.039 0.000 1.019 1609 N CA 0.872 53.934 53.050 0.018 0.000 0.856 1609 N CB -0.240 38.246 38.487 -0.002 0.000 0.993 1609 N HN 0.117 nan 8.380 nan 0.000 0.426 1610 L N 0.828 122.066 121.223 0.026 0.000 1.993 1610 L HA -0.031 4.308 4.340 -0.001 0.000 0.206 1610 L C 2.408 179.324 176.870 0.077 0.000 1.074 1610 L CA 1.176 56.043 54.840 0.044 0.000 0.746 1610 L CB -1.410 40.654 42.059 0.009 0.000 0.896 1610 L HN 0.109 nan 8.230 nan 0.000 0.435 1611 V N -1.085 118.856 119.914 0.045 0.000 2.594 1611 V HA -0.093 4.027 4.120 -0.001 0.000 0.253 1611 V C 2.231 178.353 176.094 0.047 0.000 1.069 1611 V CA 1.835 64.162 62.300 0.045 0.000 1.082 1611 V CB -1.221 30.616 31.823 0.024 0.000 0.680 1611 V HN 0.418 nan 8.190 nan 0.000 0.469 1612 G N -0.810 108.022 108.800 0.053 0.000 2.418 1612 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.217 1612 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.217 1612 G C 1.435 176.373 174.900 0.064 0.000 1.158 1612 G CA 1.141 46.270 45.100 0.049 0.000 0.771 1612 G HN 0.736 nan 8.290 nan 0.000 0.545 1613 H N 0.504 119.577 119.070 0.004 0.000 2.299 1613 H HA 0.119 4.675 4.556 -0.001 0.000 0.302 1613 H C 2.566 177.898 175.328 0.006 0.000 1.078 1613 H CA 1.389 57.440 56.048 0.005 0.000 1.323 1613 H CB -0.276 29.489 29.762 0.004 0.000 1.381 1613 H HN 0.229 nan 8.280 nan 0.000 0.498 1614 L N -0.598 120.648 121.223 0.039 0.000 2.083 1614 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 1614 L C 2.517 179.348 176.870 -0.066 0.000 1.083 1614 L CA 1.358 56.187 54.840 -0.019 0.000 0.752 1614 L CB -0.478 41.634 42.059 0.089 0.000 0.899 1614 L HN 0.268 nan 8.230 nan 0.000 0.433 1615 S N 0.137 115.817 115.700 -0.033 0.000 2.402 1615 S HA -0.093 4.377 4.470 -0.001 0.000 0.229 1615 S C 2.050 176.614 174.600 -0.062 0.000 1.021 1615 S CA 1.077 59.255 58.200 -0.036 0.000 0.974 1615 S CB -0.424 62.770 63.200 -0.011 0.000 0.800 1615 S HN 0.609 nan 8.310 nan 0.000 0.484 1616 G N 1.776 110.524 108.800 -0.087 0.000 2.418 1616 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.217 1616 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.217 1616 G C 1.329 176.158 174.900 -0.118 0.000 1.158 1616 G CA 0.649 45.693 45.100 -0.095 0.000 0.771 1616 G HN 0.476 nan 8.290 nan 0.000 0.545 1617 I N 1.286 121.743 120.570 -0.189 0.000 2.142 1617 I HA -0.170 3.999 4.170 -0.001 0.000 0.240 1617 I C 3.321 179.372 176.117 -0.109 0.000 1.078 1617 I CA 1.018 62.215 61.300 -0.170 0.000 1.343 1617 I CB -0.266 37.609 38.000 -0.209 0.000 1.046 1617 I HN 0.249 nan 8.210 nan 0.000 0.405 1618 A N 0.229 122.985 122.820 -0.106 0.000 1.940 1618 A HA -0.220 4.100 4.320 -0.001 0.000 0.219 1618 A C 2.363 179.920 177.584 -0.045 0.000 1.176 1618 A CA 2.504 54.488 52.037 -0.088 0.000 0.631 1618 A CB -1.093 17.848 19.000 -0.098 0.000 0.814 1618 A HN 0.401 nan 8.150 nan 0.000 0.446 1619 T N 0.132 114.664 114.554 -0.036 0.000 2.708 1619 T HA -0.012 4.337 4.350 -0.001 0.000 0.266 1619 T C 2.250 176.963 174.700 0.022 0.000 1.037 1619 T CA 1.653 63.747 62.100 -0.010 0.000 1.146 1619 T CB -0.444 68.416 68.868 -0.013 0.000 0.865 1619 T HN 0.607 nan 8.240 nan 0.000 0.435 1620 A N 1.296 124.134 122.820 0.030 0.000 1.898 1620 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 1620 A C 2.602 180.311 177.584 0.208 0.000 1.181 1620 A CA 2.325 54.431 52.037 0.115 0.000 0.620 1620 A CB -1.334 17.722 19.000 0.092 0.000 0.819 1620 A HN 0.564 nan 8.150 nan 0.000 0.442 1621 T N -1.260 113.343 114.554 0.082 0.000 2.833 1621 T HA 0.025 4.375 4.350 -0.001 0.000 0.269 1621 T C 1.821 176.597 174.700 0.127 0.000 1.054 1621 T CA 1.865 64.014 62.100 0.082 0.000 1.135 1621 T CB -0.451 68.392 68.868 -0.042 0.000 0.869 1621 T HN 0.557 nan 8.240 nan 0.000 0.466 1622 A N 0.711 123.574 122.820 0.073 0.000 2.067 1622 A HA 0.471 4.791 4.320 -0.001 0.000 0.219 1622 A C 2.712 180.336 177.584 0.066 0.000 1.158 1622 A CA 1.518 53.587 52.037 0.053 0.000 0.661 1622 A CB -1.085 17.926 19.000 0.018 0.000 0.801 1622 A HN 0.760 nan 8.150 nan 0.000 0.452 1623 A N -1.052 121.820 122.820 0.087 0.000 1.872 1623 A HA -0.049 4.271 4.320 -0.001 0.000 0.214 1623 A C 1.897 179.483 177.584 0.003 0.000 1.187 1623 A CA 1.209 53.255 52.037 0.016 0.000 0.614 1623 A CB -0.833 18.154 19.000 -0.021 0.000 0.826 1623 A HN 0.679 nan 8.150 nan 0.000 0.442 1624 W N -0.007 121.280 121.300 -0.021 0.000 2.335 1624 W HA -0.147 4.513 4.660 -0.001 0.000 0.311 1624 W C 2.331 178.845 176.519 -0.008 0.000 1.213 1624 W CA 1.642 58.978 57.345 -0.015 0.000 1.274 1624 W CB -0.776 28.670 29.460 -0.023 0.000 1.148 1624 W HN 0.123 nan 8.180 nan 0.000 0.498 1625 V N 0.355 120.401 119.914 0.220 0.000 2.332 1625 V HA -0.313 3.807 4.120 -0.001 0.000 0.248 1625 V C 1.859 177.994 176.094 0.069 0.000 1.055 1625 V CA 2.229 64.601 62.300 0.120 0.000 1.038 1625 V CB -0.818 31.053 31.823 0.079 0.000 0.651 1625 V HN 0.091 nan 8.190 nan 0.000 0.450 1626 D N 0.246 120.672 120.400 0.043 0.000 2.117 1626 D HA -0.086 4.553 4.640 -0.001 0.000 0.198 1626 D C 2.275 178.574 176.300 -0.002 0.000 0.982 1626 D CA 1.568 55.574 54.000 0.011 0.000 0.828 1626 D CB -0.382 40.413 40.800 -0.008 0.000 0.967 1626 D HN 0.412 nan 8.370 nan 0.000 0.464 1627 A N 0.676 123.482 122.820 -0.024 0.000 1.948 1627 A HA -0.170 4.149 4.320 -0.001 0.000 0.220 1627 A C 2.126 179.709 177.584 -0.003 0.000 1.177 1627 A CA 2.036 54.041 52.037 -0.052 0.000 0.636 1627 A CB -0.536 18.373 19.000 -0.152 0.000 0.815 1627 A HN 0.268 nan 8.150 nan 0.000 0.449 1628 V N -2.603 117.336 119.914 0.041 0.000 3.342 1628 V HA 0.329 4.448 4.120 -0.001 0.000 0.322 1628 V C 0.599 176.716 176.094 0.039 0.000 1.370 1628 V CA -0.056 62.277 62.300 0.055 0.000 1.170 1628 V CB -1.117 30.764 31.823 0.096 0.000 1.101 1628 V HN 0.462 nan 8.190 nan 0.000 0.442 1629 R N 1.147 121.662 120.500 0.026 0.000 2.623 1629 R HA 0.443 4.782 4.340 -0.001 0.000 0.271 1629 R C 1.304 177.611 176.300 0.012 0.000 1.043 1629 R CA 1.308 57.419 56.100 0.018 0.000 1.083 1629 R CB 0.232 30.539 30.300 0.011 0.000 0.974 1629 R HN 0.951 nan 8.270 nan 0.000 0.436 1630 G N 1.825 110.631 108.800 0.010 0.000 2.141 1630 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.242 1630 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.242 1630 G C -0.004 174.900 174.900 0.006 0.000 0.982 1630 G CA 0.321 45.424 45.100 0.006 0.000 0.662 1630 G HN 0.698 nan 8.290 nan 0.000 0.527 1631 T N -1.114 113.445 114.554 0.009 0.000 2.907 1631 T HA 0.576 4.926 4.350 -0.001 0.000 0.290 1631 T C 1.367 176.065 174.700 -0.002 0.000 1.066 1631 T CA -0.014 62.090 62.100 0.007 0.000 1.012 1631 T CB 1.462 70.343 68.868 0.021 0.000 1.184 1631 T HN 0.349 nan 8.240 nan 0.000 0.522 1632 K N 0.407 120.797 120.400 -0.017 0.000 2.356 1632 K HA 0.464 4.784 4.320 -0.001 0.000 0.195 1632 K C 0.853 177.419 176.600 -0.055 0.000 1.037 1632 K CA -0.061 56.203 56.287 -0.039 0.000 1.014 1632 K CB 0.174 32.638 32.500 -0.059 0.000 0.815 1632 K HN 0.468 nan 8.250 nan 0.000 0.507 1633 A N 2.055 124.853 122.820 -0.036 0.000 2.540 1633 A HA 0.115 4.435 4.320 -0.001 0.000 0.239 1633 A C -0.713 176.889 177.584 0.030 0.000 1.061 1633 A CA 0.186 52.208 52.037 -0.025 0.000 0.758 1633 A CB 0.076 19.094 19.000 0.030 0.000 0.991 1633 A HN 0.368 nan 8.150 nan 0.000 0.502 1634 K N 1.437 121.889 120.400 0.087 0.000 2.259 1634 K HA 0.572 4.891 4.320 -0.001 0.000 0.249 1634 K C -0.627 176.077 176.600 0.174 0.000 0.942 1634 K CA -0.562 55.821 56.287 0.159 0.000 0.816 1634 K CB 1.648 34.306 32.500 0.262 0.000 1.155 1634 K HN 0.527 nan 8.250 nan 0.000 0.428 1635 I N 2.972 123.599 120.570 0.095 0.000 2.395 1635 I HA 0.321 4.490 4.170 -0.001 0.000 0.289 1635 I C 0.178 176.264 176.117 -0.052 0.000 1.023 1635 I CA -0.260 61.054 61.300 0.023 0.000 1.350 1635 I CB 0.685 38.700 38.000 0.025 0.000 1.409 1635 I HN 0.487 nan 8.210 nan 0.000 0.507 1636 R N 3.617 124.044 120.500 -0.122 0.000 2.795 1636 R HA 0.416 4.756 4.340 -0.001 0.000 0.275 1636 R C -0.875 175.332 176.300 -0.156 0.000 0.981 1636 R CA -0.879 55.122 56.100 -0.164 0.000 0.917 1636 R CB 2.212 32.340 30.300 -0.287 0.000 1.202 1636 R HN 0.595 nan 8.270 nan 0.000 0.469 1637 D N -0.096 120.240 120.400 -0.106 0.000 2.507 1637 D HA 0.359 4.998 4.640 -0.001 0.000 0.280 1637 D C 0.401 176.679 176.300 -0.037 0.000 1.219 1637 D CA -0.299 53.642 54.000 -0.100 0.000 1.085 1637 D CB 0.417 41.166 40.800 -0.084 0.000 1.134 1637 D HN 0.553 nan 8.370 nan 0.000 0.583 1638 T N -4.806 109.721 114.554 -0.045 0.000 2.626 1638 T HA 0.475 4.824 4.350 -0.001 0.000 0.279 1638 T C 0.348 175.028 174.700 -0.033 0.000 0.983 1638 T CA -1.031 61.050 62.100 -0.031 0.000 1.059 1638 T CB 1.132 69.986 68.868 -0.023 0.000 1.396 1638 T HN 0.292 nan 8.240 nan 0.000 0.519 1639 R N 0.254 120.733 120.500 -0.034 0.000 2.388 1639 R HA 0.213 4.552 4.340 -0.001 0.000 0.247 1639 R C 0.085 176.392 176.300 0.013 0.000 0.931 1639 R CA -0.138 55.951 56.100 -0.018 0.000 1.082 1639 R CB 0.149 30.427 30.300 -0.037 0.000 1.135 1639 R HN 0.417 nan 8.270 nan 0.000 0.525 1640 K N 2.130 122.550 120.400 0.035 0.000 2.307 1640 K HA 0.064 4.383 4.320 -0.001 0.000 0.240 1640 K C -0.047 176.605 176.600 0.087 0.000 1.214 1640 K CA 0.112 56.448 56.287 0.082 0.000 1.149 1640 K CB 0.455 33.066 32.500 0.185 0.000 1.668 1640 K HN 0.064 nan 8.250 nan 0.000 0.314 1641 T N -1.878 112.711 114.554 0.059 0.000 2.932 1641 T HA 0.391 4.740 4.350 -0.001 0.000 0.289 1641 T C 0.008 174.743 174.700 0.058 0.000 1.039 1641 T CA -1.145 60.991 62.100 0.060 0.000 1.024 1641 T CB 1.364 70.260 68.868 0.048 0.000 1.090 1641 T HN -0.025 nan 8.240 nan 0.000 0.496 1642 L N 2.878 124.138 121.223 0.061 0.000 2.380 1642 L HA 0.390 4.729 4.340 -0.001 0.000 0.273 1642 L C -1.908 174.976 176.870 0.023 0.000 1.138 1642 L CA -2.316 52.545 54.840 0.035 0.000 0.832 1642 L CB 0.234 42.301 42.059 0.013 0.000 1.124 1642 L HN 0.596 nan 8.230 nan 0.000 0.454 1643 P HA 0.108 nan 4.420 nan 0.000 0.261 1643 P C 0.701 178.008 177.300 0.011 0.000 1.203 1643 P CA 0.546 63.657 63.100 0.018 0.000 0.767 1643 P CB 0.630 32.337 31.700 0.013 0.000 0.785 1644 G N 2.930 111.744 108.800 0.023 0.000 2.176 1644 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.232 1644 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.232 1644 G C 0.450 175.342 174.900 -0.012 0.000 0.986 1644 G CA 0.044 45.150 45.100 0.012 0.000 0.643 1644 G HN 0.495 nan 8.290 nan 0.000 0.522 1645 L N -0.254 120.967 121.223 -0.003 0.000 2.966 1645 L HA 0.368 4.707 4.340 -0.001 0.000 0.262 1645 L C 2.335 179.212 176.870 0.012 0.000 1.165 1645 L CA 0.350 55.184 54.840 -0.010 0.000 0.978 1645 L CB 0.063 42.118 42.059 -0.007 0.000 1.337 1645 L HN 0.232 nan 8.230 nan 0.000 0.563 1646 R N 1.691 122.211 120.500 0.034 0.000 2.133 1646 R HA -0.271 4.068 4.340 -0.001 0.000 0.245 1646 R C 2.217 178.543 176.300 0.043 0.000 1.137 1646 R CA 2.253 58.387 56.100 0.057 0.000 0.947 1646 R CB -0.225 30.131 30.300 0.092 0.000 0.865 1646 R HN 0.342 nan 8.270 nan 0.000 0.437 1647 A N 0.635 123.445 122.820 -0.016 0.000 1.940 1647 A HA -0.121 4.198 4.320 -0.001 0.000 0.219 1647 A C 2.230 179.768 177.584 -0.078 0.000 1.176 1647 A CA 1.401 53.369 52.037 -0.116 0.000 0.631 1647 A CB -0.420 18.218 19.000 -0.602 0.000 0.814 1647 A HN 0.396 nan 8.150 nan 0.000 0.446 1648 L N -1.227 119.956 121.223 -0.065 0.000 2.068 1648 L HA -0.180 4.159 4.340 -0.001 0.000 0.204 1648 L C 2.853 179.794 176.870 0.119 0.000 1.076 1648 L CA 1.254 56.111 54.840 0.027 0.000 0.753 1648 L CB -0.601 41.455 42.059 -0.005 0.000 0.910 1648 L HN 0.448 nan 8.230 nan 0.000 0.439 1649 Q N -0.058 119.791 119.800 0.082 0.000 2.170 1649 Q HA -0.238 4.101 4.340 -0.001 0.000 0.203 1649 Q C 2.120 178.134 176.000 0.024 0.000 0.976 1649 Q CA 1.321 57.162 55.803 0.062 0.000 0.858 1649 Q CB -0.003 28.778 28.738 0.072 0.000 0.907 1649 Q HN 0.229 nan 8.270 nan 0.000 0.433 1650 K N 0.029 120.456 120.400 0.046 0.000 2.103 1650 K HA -0.149 4.170 4.320 -0.001 0.000 0.204 1650 K C 1.715 178.332 176.600 0.029 0.000 1.052 1650 K CA 0.862 57.170 56.287 0.034 0.000 0.945 1650 K CB -0.336 32.205 32.500 0.068 0.000 0.722 1650 K HN 0.215 nan 8.250 nan 0.000 0.443 1651 Y N 0.607 120.889 120.300 -0.031 0.000 2.128 1651 Y HA -0.216 4.334 4.550 -0.001 0.000 0.284 1651 Y C 1.890 177.772 175.900 -0.031 0.000 1.154 1651 Y CA 1.675 59.755 58.100 -0.033 0.000 1.149 1651 Y CB -0.685 37.742 38.460 -0.054 0.000 0.976 1651 Y HN 0.046 nan 8.280 nan 0.000 0.505 1652 A N 0.171 122.829 122.820 -0.270 0.000 1.902 1652 A HA -0.152 4.168 4.320 -0.001 0.000 0.217 1652 A C 2.429 179.864 177.584 -0.249 0.000 1.181 1652 A CA 2.394 54.245 52.037 -0.310 0.000 0.623 1652 A CB -1.690 17.236 19.000 -0.124 0.000 0.818 1652 A HN 0.684 nan 8.150 nan 0.000 0.443 1653 V N -1.176 118.637 119.914 -0.169 0.000 2.407 1653 V HA -0.204 3.915 4.120 -0.001 0.000 0.248 1653 V C 2.239 178.249 176.094 -0.140 0.000 1.055 1653 V CA 2.394 64.611 62.300 -0.138 0.000 1.049 1653 V CB -0.864 30.889 31.823 -0.117 0.000 0.662 1653 V HN 0.562 nan 8.190 nan 0.000 0.455 1654 R N -0.039 120.363 120.500 -0.164 0.000 2.096 1654 R HA -0.123 4.216 4.340 -0.001 0.000 0.235 1654 R C 2.386 178.580 176.300 -0.176 0.000 1.127 1654 R CA 2.099 58.114 56.100 -0.142 0.000 0.968 1654 R CB -0.602 29.625 30.300 -0.122 0.000 0.861 1654 R HN 0.652 nan 8.270 nan 0.000 0.440 1655 T N -0.839 113.535 114.554 -0.301 0.000 2.867 1655 T HA -0.074 4.275 4.350 -0.001 0.000 0.268 1655 T C 1.524 176.136 174.700 -0.147 0.000 1.057 1655 T CA 1.327 63.265 62.100 -0.270 0.000 1.136 1655 T CB -0.192 68.418 68.868 -0.431 0.000 0.874 1655 T HN 0.504 nan 8.240 nan 0.000 0.466 1656 G N -0.176 108.546 108.800 -0.130 0.000 2.848 1656 G HA2 0.358 4.317 3.960 -0.001 0.000 0.208 1656 G HA3 0.358 4.317 3.960 -0.001 0.000 0.208 1656 G C 1.116 175.991 174.900 -0.041 0.000 1.152 1656 G CA 0.499 45.557 45.100 -0.071 0.000 0.789 1656 G HN 0.755 nan 8.290 nan 0.000 0.531 1657 G N -1.711 107.058 108.800 -0.051 0.000 2.184 1657 G HA2 0.026 3.985 3.960 -0.001 0.000 0.206 1657 G HA3 0.026 3.985 3.960 -0.001 0.000 0.206 1657 G C 0.699 175.589 174.900 -0.016 0.000 0.995 1657 G CA 0.125 45.211 45.100 -0.023 0.000 0.651 1657 G HN 0.946 nan 8.290 nan 0.000 0.511 1658 G N -0.890 107.888 108.800 -0.036 0.000 2.557 1658 G HA2 0.739 4.698 3.960 -0.001 0.000 0.292 1658 G HA3 0.739 4.698 3.960 -0.001 0.000 0.292 1658 G C 0.100 174.976 174.900 -0.040 0.000 1.237 1658 G CA 0.211 45.288 45.100 -0.037 0.000 0.978 1658 G HN 1.595 nan 8.290 nan 0.000 0.498 1659 V N -1.050 118.836 119.914 -0.047 0.000 2.604 1659 V HA 0.555 4.675 4.120 -0.001 0.000 0.305 1659 V C -0.669 175.385 176.094 -0.068 0.000 1.043 1659 V CA -1.475 60.795 62.300 -0.049 0.000 0.888 1659 V CB 1.727 33.527 31.823 -0.038 0.000 0.995 1659 V HN 0.556 nan 8.190 nan 0.000 0.429 1660 N N 3.224 121.903 118.700 -0.035 0.000 2.518 1660 N HA 0.263 5.002 4.740 -0.001 0.000 0.266 1660 N C 0.089 175.607 175.510 0.014 0.000 1.196 1660 N CA 0.196 53.242 53.050 -0.006 0.000 0.947 1660 N CB 0.744 39.245 38.487 0.024 0.000 1.098 1660 N HN 1.042 nan 8.380 nan 0.000 0.450 1661 H N 1.835 120.843 119.070 -0.103 0.000 4.055 1661 H HA 0.317 4.872 4.556 -0.001 0.000 0.197 1661 H C -0.014 175.269 175.328 -0.074 0.000 1.410 1661 H CA -0.381 55.592 56.048 -0.124 0.000 1.675 1661 H CB 0.776 30.447 29.762 -0.153 0.000 1.589 1661 H HN 0.266 nan 8.280 nan 0.000 0.467 1662 R N 1.571 121.939 120.500 -0.219 0.000 2.349 1662 R HA 0.168 4.508 4.340 -0.001 0.000 0.299 1662 R C 0.658 176.906 176.300 -0.086 0.000 1.027 1662 R CA -0.201 55.770 56.100 -0.215 0.000 0.958 1662 R CB 1.472 31.544 30.300 -0.380 0.000 1.047 1662 R HN 0.516 nan 8.270 nan 0.000 0.468 1663 L N 0.995 122.196 121.223 -0.037 0.000 2.509 1663 L HA 0.208 4.547 4.340 -0.001 0.000 0.222 1663 L C 1.113 177.984 176.870 0.002 0.000 1.123 1663 L CA 0.268 55.116 54.840 0.013 0.000 0.856 1663 L CB 0.164 42.248 42.059 0.042 0.000 0.985 1663 L HN 0.838 nan 8.230 nan 0.000 0.456 1664 G N -2.066 106.713 108.800 -0.035 0.000 2.342 1664 G HA2 0.206 4.165 3.960 -0.001 0.000 0.297 1664 G HA3 0.206 4.165 3.960 -0.001 0.000 0.297 1664 G C -0.462 174.408 174.900 -0.050 0.000 1.313 1664 G CA -0.765 44.315 45.100 -0.032 0.000 0.830 1664 G HN -0.338 nan 8.290 nan 0.000 0.506 1665 L N 0.882 122.081 121.223 -0.040 0.000 2.079 1665 L HA 0.104 4.443 4.340 -0.001 0.000 0.210 1665 L C 2.730 179.571 176.870 -0.049 0.000 1.081 1665 L CA 2.828 57.644 54.840 -0.040 0.000 0.752 1665 L CB -0.874 41.169 42.059 -0.028 0.000 0.896 1665 L HN 0.822 nan 8.230 nan 0.000 0.433 1666 G N -2.656 106.114 108.800 -0.050 0.000 3.088 1666 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.217 1666 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.217 1666 G C 1.058 175.927 174.900 -0.052 0.000 1.159 1666 G CA 0.173 45.242 45.100 -0.052 0.000 0.760 1666 G HN 0.298 nan 8.290 nan 0.000 0.550 1667 D N 0.864 121.231 120.400 -0.055 0.000 2.106 1667 D HA 0.151 4.791 4.640 -0.001 0.000 0.191 1667 D C 1.442 177.719 176.300 -0.040 0.000 0.997 1667 D CA 1.853 55.824 54.000 -0.050 0.000 0.834 1667 D CB 0.139 40.902 40.800 -0.063 0.000 0.956 1667 D HN 0.420 nan 8.370 nan 0.000 0.448 1668 A N -1.332 121.461 122.820 -0.045 0.000 2.602 1668 A HA 0.754 5.073 4.320 -0.001 0.000 0.290 1668 A C -1.524 176.036 177.584 -0.041 0.000 1.114 1668 A CA -0.307 51.711 52.037 -0.031 0.000 0.683 1668 A CB 1.347 20.340 19.000 -0.012 0.000 1.281 1668 A HN 0.114 nan 8.150 nan 0.000 0.416 1669 A N 0.895 123.695 122.820 -0.033 0.000 2.276 1669 A HA 0.584 4.903 4.320 -0.001 0.000 0.300 1669 A C -0.525 177.041 177.584 -0.029 0.000 1.235 1669 A CA -0.235 51.773 52.037 -0.047 0.000 0.867 1669 A CB 0.107 19.078 19.000 -0.048 0.000 1.137 1669 A HN 1.270 nan 8.150 nan 0.000 0.527 1670 L N 5.238 126.443 121.223 -0.030 0.000 2.324 1670 L HA 0.470 4.809 4.340 -0.001 0.000 0.274 1670 L C -1.278 175.640 176.870 0.079 0.000 1.012 1670 L CA -0.545 54.305 54.840 0.017 0.000 0.859 1670 L CB 0.654 42.717 42.059 0.007 0.000 1.224 1670 L HN 0.618 nan 8.230 nan 0.000 0.429 1671 I N 5.496 126.124 120.570 0.095 0.000 2.396 1671 I HA 0.196 4.365 4.170 -0.001 0.000 0.289 1671 I C 0.532 176.780 176.117 0.219 0.000 1.056 1671 I CA 0.429 61.859 61.300 0.217 0.000 1.365 1671 I CB 0.747 38.815 38.000 0.114 0.000 1.407 1671 I HN 0.510 nan 8.210 nan 0.000 0.509 1672 K N 4.278 124.845 120.400 0.278 0.000 2.354 1672 K HA 0.312 4.631 4.320 -0.001 0.000 0.238 1672 K C 0.769 177.306 176.600 -0.105 0.000 1.068 1672 K CA -0.721 55.558 56.287 -0.014 0.000 0.925 1672 K CB 0.849 33.259 32.500 -0.149 0.000 1.286 1672 K HN 0.579 nan 8.250 nan 0.000 0.500 1673 D N 0.796 121.131 120.400 -0.108 0.000 2.126 1673 D HA -0.273 4.366 4.640 -0.001 0.000 0.190 1673 D C 0.826 177.046 176.300 -0.133 0.000 1.001 1673 D CA 1.714 55.662 54.000 -0.085 0.000 0.841 1673 D CB -0.580 40.183 40.800 -0.063 0.000 0.949 1673 D HN 0.429 nan 8.370 nan 0.000 0.446 1674 N N 1.027 119.576 118.700 -0.251 0.000 2.094 1674 N HA -0.178 4.562 4.740 -0.001 0.000 0.191 1674 N C 1.823 177.220 175.510 -0.188 0.000 1.023 1674 N CA 1.314 54.215 53.050 -0.249 0.000 0.857 1674 N CB -0.613 37.675 38.487 -0.333 0.000 1.013 1674 N HN 0.476 nan 8.380 nan 0.000 0.426 1675 H N 0.923 119.993 119.070 0.001 0.000 2.357 1675 H HA 0.045 4.600 4.556 -0.001 0.000 0.301 1675 H C 2.509 177.839 175.328 0.003 0.000 1.082 1675 H CA 0.501 56.550 56.048 0.000 0.000 1.342 1675 H CB -0.662 29.099 29.762 -0.002 0.000 1.389 1675 H HN -0.005 nan 8.280 nan 0.000 0.511 1676 V N 1.532 121.499 119.914 0.087 0.000 2.332 1676 V HA -0.278 3.842 4.120 -0.001 0.000 0.248 1676 V C 2.823 178.939 176.094 0.036 0.000 1.055 1676 V CA 1.654 63.987 62.300 0.056 0.000 1.038 1676 V CB -1.097 30.747 31.823 0.036 0.000 0.651 1676 V HN 0.496 nan 8.190 nan 0.000 0.450 1677 A N 0.094 122.925 122.820 0.018 0.000 1.845 1677 A HA -0.158 4.161 4.320 -0.001 0.000 0.215 1677 A C 2.470 180.066 177.584 0.021 0.000 1.195 1677 A CA 2.329 54.373 52.037 0.012 0.000 0.616 1677 A CB -1.052 17.946 19.000 -0.004 0.000 0.832 1677 A HN 0.593 nan 8.150 nan 0.000 0.443 1678 A N -0.377 122.461 122.820 0.030 0.000 1.940 1678 A HA 0.100 4.420 4.320 -0.001 0.000 0.219 1678 A C 2.457 180.062 177.584 0.035 0.000 1.176 1678 A CA 2.365 54.424 52.037 0.036 0.000 0.631 1678 A CB -0.950 18.083 19.000 0.055 0.000 0.814 1678 A HN 1.148 nan 8.150 nan 0.000 0.446 1679 A N -2.626 120.220 122.820 0.043 0.000 2.016 1679 A HA 0.376 4.695 4.320 -0.001 0.000 0.217 1679 A C 2.090 179.689 177.584 0.025 0.000 1.162 1679 A CA 1.721 53.778 52.037 0.034 0.000 0.662 1679 A CB -0.592 18.432 19.000 0.040 0.000 0.812 1679 A HN 1.816 nan 8.150 nan 0.000 0.450 1680 G N -1.689 107.126 108.800 0.025 0.000 2.799 1680 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.200 1680 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.200 1680 G C 0.487 175.399 174.900 0.021 0.000 1.206 1680 G CA 0.566 45.678 45.100 0.020 0.000 0.827 1680 G HN 1.870 nan 8.290 nan 0.000 0.511 1681 S N -0.860 114.854 115.700 0.024 0.000 2.651 1681 S HA 0.679 5.148 4.470 -0.001 0.000 0.279 1681 S C 1.143 175.762 174.600 0.031 0.000 1.148 1681 S CA 0.386 58.602 58.200 0.025 0.000 0.837 1681 S CB 1.668 64.881 63.200 0.022 0.000 1.138 1681 S HN 1.153 nan 8.310 nan 0.000 0.478 1682 V N 1.053 120.986 119.914 0.032 0.000 2.343 1682 V HA -0.115 4.005 4.120 -0.001 0.000 0.247 1682 V C 2.361 178.474 176.094 0.033 0.000 1.051 1682 V CA 1.852 64.174 62.300 0.037 0.000 1.036 1682 V CB -1.318 30.527 31.823 0.037 0.000 0.654 1682 V HN 0.734 nan 8.190 nan 0.000 0.451 1683 V N 0.244 120.175 119.914 0.027 0.000 2.515 1683 V HA -0.190 3.929 4.120 -0.001 0.000 0.250 1683 V C 2.336 178.442 176.094 0.020 0.000 1.058 1683 V CA 1.920 64.233 62.300 0.022 0.000 1.064 1683 V CB -0.725 31.110 31.823 0.020 0.000 0.675 1683 V HN 0.497 nan 8.190 nan 0.000 0.461 1684 D N 0.952 121.365 120.400 0.022 0.000 2.078 1684 D HA -0.138 4.501 4.640 -0.001 0.000 0.193 1684 D C 2.299 178.611 176.300 0.020 0.000 0.990 1684 D CA 1.854 55.865 54.000 0.019 0.000 0.827 1684 D CB -0.400 40.413 40.800 0.021 0.000 0.975 1684 D HN 0.410 nan 8.370 nan 0.000 0.451 1685 A N 0.842 123.680 122.820 0.031 0.000 1.908 1685 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 1685 A C 2.376 179.970 177.584 0.016 0.000 1.181 1685 A CA 1.000 53.058 52.037 0.034 0.000 0.627 1685 A CB -0.848 18.195 19.000 0.072 0.000 0.818 1685 A HN 0.249 nan 8.150 nan 0.000 0.445 1686 L N -1.138 120.096 121.223 0.019 0.000 1.994 1686 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 1686 L C 2.855 179.727 176.870 0.004 0.000 1.071 1686 L CA 1.186 56.032 54.840 0.011 0.000 0.745 1686 L CB -0.278 41.791 42.059 0.017 0.000 0.892 1686 L HN 0.286 nan 8.230 nan 0.000 0.431 1687 R N -0.081 120.423 120.500 0.006 0.000 2.081 1687 R HA -0.129 4.210 4.340 -0.001 0.000 0.235 1687 R C 2.178 178.476 176.300 -0.002 0.000 1.131 1687 R CA 1.406 57.508 56.100 0.003 0.000 0.960 1687 R CB -1.236 29.068 30.300 0.006 0.000 0.856 1687 R HN 0.445 nan 8.270 nan 0.000 0.436 1688 A N 0.779 123.597 122.820 -0.003 0.000 1.873 1688 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 1688 A C 2.506 180.079 177.584 -0.019 0.000 1.193 1688 A CA 2.160 54.192 52.037 -0.009 0.000 0.629 1688 A CB -0.813 18.182 19.000 -0.008 0.000 0.826 1688 A HN 0.122 nan 8.150 nan 0.000 0.447 1689 V N 0.160 120.059 119.914 -0.026 0.000 2.407 1689 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 1689 V C 2.669 178.747 176.094 -0.025 0.000 1.055 1689 V CA 1.894 64.172 62.300 -0.037 0.000 1.049 1689 V CB -0.882 30.910 31.823 -0.051 0.000 0.662 1689 V HN 0.442 nan 8.190 nan 0.000 0.455 1690 R N 0.671 121.161 120.500 -0.016 0.000 2.105 1690 R HA -0.128 4.211 4.340 -0.001 0.000 0.239 1690 R C 1.991 178.285 176.300 -0.011 0.000 1.135 1690 R CA 1.439 57.533 56.100 -0.011 0.000 0.967 1690 R CB -0.867 29.430 30.300 -0.005 0.000 0.861 1690 R HN 0.632 nan 8.270 nan 0.000 0.442 1691 N N 0.074 118.767 118.700 -0.012 0.000 2.290 1691 N HA -0.022 4.717 4.740 -0.001 0.000 0.179 1691 N C 1.670 177.171 175.510 -0.015 0.000 1.016 1691 N CA 0.923 53.966 53.050 -0.011 0.000 0.871 1691 N CB 0.088 38.569 38.487 -0.009 0.000 0.987 1691 N HN 0.151 nan 8.380 nan 0.000 0.431 1692 A N 0.936 123.744 122.820 -0.020 0.000 1.897 1692 A HA 0.234 4.553 4.320 -0.001 0.000 0.215 1692 A C 1.237 178.806 177.584 -0.025 0.000 1.181 1692 A CA 1.393 53.415 52.037 -0.024 0.000 0.620 1692 A CB -0.007 18.975 19.000 -0.031 0.000 0.821 1692 A HN 0.243 nan 8.150 nan 0.000 0.443 1693 A N -0.722 122.082 122.820 -0.026 0.000 3.216 1693 A HA 0.561 4.880 4.320 -0.001 0.000 0.321 1693 A C -1.580 175.992 177.584 -0.020 0.000 1.042 1693 A CA -0.734 51.288 52.037 -0.025 0.000 0.838 1693 A CB 0.433 19.413 19.000 -0.032 0.000 1.136 1693 A HN 0.192 nan 8.150 nan 0.000 0.483 1694 P HA -0.195 nan 4.420 nan 0.000 0.221 1694 P C 0.555 177.849 177.300 -0.010 0.000 1.145 1694 P CA 1.464 64.558 63.100 -0.011 0.000 0.795 1694 P CB 0.142 31.836 31.700 -0.009 0.000 0.775 1695 D N -1.211 119.181 120.400 -0.012 0.000 2.317 1695 D HA -0.032 4.607 4.640 -0.001 0.000 0.211 1695 D C 0.764 177.057 176.300 -0.011 0.000 0.966 1695 D CA 0.100 54.094 54.000 -0.011 0.000 0.876 1695 D CB -0.285 40.507 40.800 -0.014 0.000 0.927 1695 D HN 0.160 nan 8.370 nan 0.000 0.519 1696 L N 1.502 122.716 121.223 -0.014 0.000 2.334 1696 L HA 0.376 4.715 4.340 -0.001 0.000 0.277 1696 L C -2.363 174.502 176.870 -0.008 0.000 1.075 1696 L CA -2.089 52.742 54.840 -0.015 0.000 0.804 1696 L CB 1.299 43.344 42.059 -0.024 0.000 1.174 1696 L HN -0.288 nan 8.230 nan 0.000 0.438 1697 P HA 0.141 nan 4.420 nan 0.000 0.271 1697 P C -0.948 176.357 177.300 0.008 0.000 1.226 1697 P CA -0.284 62.821 63.100 0.008 0.000 0.765 1697 P CB 0.435 32.145 31.700 0.017 0.000 0.835 1698 C N 3.901 123.208 119.300 0.011 0.000 2.401 1698 C HA 0.357 4.816 4.460 -0.001 0.000 0.365 1698 C C 0.421 175.426 174.990 0.026 0.000 1.250 1698 C CA -0.020 59.004 59.018 0.011 0.000 2.131 1698 C CB -0.360 27.386 27.740 0.009 0.000 2.445 1698 C HN 0.568 nan 8.230 nan 0.000 0.550 1699 E N 1.216 121.432 120.200 0.028 0.000 2.278 1699 E HA 0.486 4.835 4.350 -0.001 0.000 0.272 1699 E C -1.477 175.145 176.600 0.037 0.000 0.890 1699 E CA -0.365 56.061 56.400 0.043 0.000 0.770 1699 E CB 2.172 31.913 29.700 0.068 0.000 1.212 1699 E HN 0.435 nan 8.360 nan 0.000 0.415 1700 V N 2.229 122.163 119.914 0.032 0.000 2.540 1700 V HA 0.378 4.497 4.120 -0.001 0.000 0.302 1700 V C -0.918 175.189 176.094 0.021 0.000 1.035 1700 V CA -0.500 61.821 62.300 0.034 0.000 0.873 1700 V CB 1.777 33.619 31.823 0.032 0.000 0.992 1700 V HN 0.753 nan 8.190 nan 0.000 0.428 1701 E N 4.545 124.760 120.200 0.025 0.000 2.167 1701 E HA 0.551 4.900 4.350 -0.001 0.000 0.284 1701 E C -0.696 175.911 176.600 0.011 0.000 1.016 1701 E CA -0.490 55.913 56.400 0.005 0.000 0.817 1701 E CB 1.610 31.317 29.700 0.011 0.000 1.080 1701 E HN 0.863 nan 8.360 nan 0.000 0.397 1702 V N 2.091 122.002 119.914 -0.005 0.000 2.628 1702 V HA 0.456 4.575 4.120 -0.001 0.000 0.306 1702 V C -0.199 175.965 176.094 0.117 0.000 1.045 1702 V CA -0.641 61.690 62.300 0.052 0.000 0.905 1702 V CB 1.877 33.742 31.823 0.071 0.000 0.997 1702 V HN 0.755 nan 8.190 nan 0.000 0.436 1703 D N 1.777 122.291 120.400 0.190 0.000 2.479 1703 D HA 0.261 4.900 4.640 -0.001 0.000 0.218 1703 D C 0.368 176.851 176.300 0.305 0.000 1.177 1703 D CA 0.601 54.776 54.000 0.290 0.000 0.830 1703 D CB 0.339 41.223 40.800 0.140 0.000 1.014 1703 D HN 0.985 nan 8.370 nan 0.000 0.503 1704 S N -1.265 114.601 115.700 0.276 0.000 2.570 1704 S HA 0.395 4.864 4.470 -0.001 0.000 0.270 1704 S C 0.410 175.068 174.600 0.097 0.000 1.149 1704 S CA -0.867 57.347 58.200 0.024 0.000 0.837 1704 S CB 0.901 64.103 63.200 0.004 0.000 1.124 1704 S HN -0.021 nan 8.310 nan 0.000 0.465 1705 L N 0.937 122.104 121.223 -0.092 0.000 2.275 1705 L HA 0.014 4.353 4.340 -0.001 0.000 0.215 1705 L C 2.195 179.098 176.870 0.055 0.000 1.119 1705 L CA 1.127 55.976 54.840 0.014 0.000 0.790 1705 L CB -0.444 41.570 42.059 -0.076 0.000 0.919 1705 L HN 0.738 nan 8.230 nan 0.000 0.443 1706 E N -0.146 120.075 120.200 0.034 0.000 2.028 1706 E HA -0.218 4.131 4.350 -0.001 0.000 0.191 1706 E C 2.187 178.819 176.600 0.054 0.000 0.988 1706 E CA 1.083 57.506 56.400 0.039 0.000 0.799 1706 E CB -0.152 29.565 29.700 0.027 0.000 0.755 1706 E HN 0.422 nan 8.360 nan 0.000 0.447 1707 Q N -0.049 119.792 119.800 0.068 0.000 2.170 1707 Q HA -0.139 4.200 4.340 -0.001 0.000 0.203 1707 Q C 2.220 178.267 176.000 0.077 0.000 0.976 1707 Q CA 0.906 56.751 55.803 0.070 0.000 0.858 1707 Q CB -0.171 28.614 28.738 0.079 0.000 0.907 1707 Q HN 0.194 nan 8.270 nan 0.000 0.433 1708 L N 1.289 122.578 121.223 0.110 0.000 1.989 1708 L HA -0.224 4.115 4.340 -0.001 0.000 0.211 1708 L C 1.527 178.438 176.870 0.068 0.000 1.071 1708 L CA 1.981 56.881 54.840 0.101 0.000 0.749 1708 L CB -0.438 41.715 42.059 0.156 0.000 0.890 1708 L HN 0.096 nan 8.230 nan 0.000 0.431 1709 D N 0.020 120.459 120.400 0.065 0.000 2.123 1709 D HA -0.211 4.428 4.640 -0.001 0.000 0.196 1709 D C 2.186 178.510 176.300 0.040 0.000 0.992 1709 D CA 1.610 55.639 54.000 0.048 0.000 0.833 1709 D CB -0.293 40.534 40.800 0.044 0.000 0.954 1709 D HN 0.551 nan 8.370 nan 0.000 0.455 1710 A N 0.635 123.479 122.820 0.040 0.000 1.902 1710 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 1710 A C 2.412 180.015 177.584 0.031 0.000 1.181 1710 A CA 2.147 54.205 52.037 0.034 0.000 0.623 1710 A CB -0.571 18.449 19.000 0.034 0.000 0.818 1710 A HN 0.261 nan 8.150 nan 0.000 0.443 1711 V N -3.139 116.795 119.914 0.033 0.000 3.354 1711 V HA 0.117 4.237 4.120 -0.001 0.000 0.258 1711 V C 2.081 178.190 176.094 0.025 0.000 1.159 1711 V CA 0.816 63.132 62.300 0.028 0.000 1.125 1711 V CB -0.678 31.162 31.823 0.029 0.000 0.774 1711 V HN 0.393 nan 8.190 nan 0.000 0.464 1712 L N 1.021 122.260 121.223 0.028 0.000 2.021 1712 L HA -0.085 4.254 4.340 -0.001 0.000 0.215 1712 L C 0.529 177.411 176.870 0.020 0.000 1.074 1712 L CA 2.681 57.536 54.840 0.024 0.000 0.760 1712 L CB -1.465 40.611 42.059 0.028 0.000 0.889 1712 L HN 0.379 nan 8.230 nan 0.000 0.433 1713 P HA -0.157 nan 4.420 nan 0.000 0.223 1713 P C 0.830 178.139 177.300 0.015 0.000 1.151 1713 P CA 1.157 64.267 63.100 0.017 0.000 0.787 1713 P CB -0.038 31.672 31.700 0.017 0.000 0.788 1714 E N 0.501 120.710 120.200 0.016 0.000 2.478 1714 E HA -0.043 4.306 4.350 -0.001 0.000 0.198 1714 E C 0.447 177.055 176.600 0.013 0.000 1.046 1714 E CA 0.125 56.533 56.400 0.014 0.000 0.870 1714 E CB -0.566 29.144 29.700 0.015 0.000 0.818 1714 E HN 0.324 nan 8.360 nan 0.000 0.527 1715 K N 0.991 121.399 120.400 0.014 0.000 3.278 1715 K HA -0.155 4.165 4.320 -0.001 0.000 0.270 1715 K C -2.304 174.304 176.600 0.013 0.000 0.955 1715 K CA 0.236 56.531 56.287 0.013 0.000 0.723 1715 K CB -1.183 31.323 32.500 0.011 0.000 1.382 1715 K HN 0.245 nan 8.250 nan 0.000 0.461 1716 P HA 0.003 nan 4.420 nan 0.000 0.272 1716 P C 0.445 177.756 177.300 0.019 0.000 1.240 1716 P CA 0.039 63.149 63.100 0.016 0.000 0.791 1716 P CB 0.737 32.447 31.700 0.018 0.000 0.978 1717 E N -0.425 119.788 120.200 0.022 0.000 2.110 1717 E HA -0.009 4.340 4.350 -0.001 0.000 0.193 1717 E C 0.405 177.027 176.600 0.037 0.000 0.988 1717 E CA 1.124 57.541 56.400 0.028 0.000 0.804 1717 E CB -0.072 29.647 29.700 0.032 0.000 0.745 1717 E HN 0.214 nan 8.360 nan 0.000 0.458 1718 L N 0.303 121.549 121.223 0.037 0.000 2.513 1718 L HA 0.432 4.771 4.340 -0.001 0.000 0.261 1718 L C -1.597 175.289 176.870 0.028 0.000 0.945 1718 L CA -0.507 54.360 54.840 0.044 0.000 0.848 1718 L CB 1.514 43.609 42.059 0.061 0.000 1.334 1718 L HN -0.071 nan 8.230 nan 0.000 0.407 1719 I N 4.581 125.158 120.570 0.011 0.000 2.465 1719 I HA 0.349 4.518 4.170 -0.001 0.000 0.291 1719 I C -0.801 175.290 176.117 -0.044 0.000 1.014 1719 I CA -0.757 60.534 61.300 -0.015 0.000 1.093 1719 I CB 2.296 40.279 38.000 -0.028 0.000 1.267 1719 I HN 0.412 nan 8.210 nan 0.000 0.431 1720 L N 6.875 128.065 121.223 -0.055 0.000 2.265 1720 L HA 0.398 4.737 4.340 -0.001 0.000 0.289 1720 L C -0.417 176.333 176.870 -0.200 0.000 1.033 1720 L CA -0.184 54.604 54.840 -0.087 0.000 0.814 1720 L CB 0.973 43.012 42.059 -0.034 0.000 1.203 1720 L HN 0.421 nan 8.230 nan 0.000 0.423 1721 L N 3.644 124.664 121.223 -0.339 0.000 2.312 1721 L HA 0.241 4.580 4.340 -0.001 0.000 0.287 1721 L C -0.183 176.421 176.870 -0.445 0.000 1.091 1721 L CA -0.395 53.998 54.840 -0.744 0.000 0.846 1721 L CB 0.336 41.787 42.059 -1.014 0.000 1.219 1721 L HN 0.512 nan 8.230 nan 0.000 0.439 1722 D N 4.634 124.886 120.400 -0.246 0.000 2.339 1722 D HA 0.058 4.697 4.640 -0.001 0.000 0.241 1722 D C 0.352 176.731 176.300 0.133 0.000 1.183 1722 D CA 0.047 54.027 54.000 -0.033 0.000 0.859 1722 D CB 0.338 41.145 40.800 0.011 0.000 1.067 1722 D HN 0.418 nan 8.370 nan 0.000 0.484 1723 N N 3.237 121.995 118.700 0.097 0.000 2.714 1723 N HA -0.222 4.517 4.740 -0.001 0.000 0.253 1723 N C -1.014 174.684 175.510 0.312 0.000 1.024 1723 N CA 0.540 53.681 53.050 0.152 0.000 0.726 1723 N CB -0.911 37.642 38.487 0.110 0.000 0.908 1723 N HN 0.299 nan 8.380 nan 0.000 0.542 1724 F N 0.801 120.755 119.950 0.007 0.000 2.397 1724 F HA 0.563 5.090 4.527 -0.001 0.000 0.331 1724 F C 1.253 177.091 175.800 0.064 0.000 1.090 1724 F CA -1.125 56.861 58.000 -0.024 0.000 1.065 1724 F CB 0.896 39.870 39.000 -0.043 0.000 1.184 1724 F HN 0.163 nan 8.300 nan 0.000 0.499 1725 A N 2.399 125.227 122.820 0.014 0.000 2.327 1725 A HA 0.402 4.721 4.320 -0.001 0.000 0.255 1725 A C 1.119 178.659 177.584 -0.074 0.000 1.099 1725 A CA -0.398 51.638 52.037 -0.002 0.000 0.801 1725 A CB 0.132 19.048 19.000 -0.140 0.000 1.062 1725 A HN 0.657 nan 8.150 nan 0.000 0.496 1726 V N 0.888 120.709 119.914 -0.155 0.000 2.332 1726 V HA -0.251 3.869 4.120 -0.001 0.000 0.248 1726 V C 2.323 178.355 176.094 -0.103 0.000 1.055 1726 V CA 2.358 64.465 62.300 -0.322 0.000 1.038 1726 V CB -1.239 30.355 31.823 -0.382 0.000 0.651 1726 V HN 1.064 nan 8.190 nan 0.000 0.450 1727 W N 1.022 122.291 121.300 -0.052 0.000 2.363 1727 W HA -0.213 4.446 4.660 -0.001 0.000 0.296 1727 W C 1.839 178.364 176.519 0.010 0.000 1.212 1727 W CA 1.354 58.684 57.345 -0.025 0.000 1.260 1727 W CB -1.030 28.412 29.460 -0.030 0.000 1.131 1727 W HN 0.295 nan 8.180 nan 0.000 0.530 1728 Q N 0.594 119.822 119.800 -0.953 0.000 2.230 1728 Q HA -0.082 4.257 4.340 -0.001 0.000 0.202 1728 Q C 2.281 178.220 176.000 -0.103 0.000 0.963 1728 Q CA 2.214 57.508 55.803 -0.849 0.000 0.866 1728 Q CB -0.319 27.677 28.738 -1.238 0.000 0.931 1728 Q HN 0.186 nan 8.270 nan 0.000 0.452 1729 T N 0.615 115.193 114.554 0.040 0.000 2.857 1729 T HA -0.180 4.170 4.350 -0.001 0.000 0.266 1729 T C 1.723 176.474 174.700 0.085 0.000 1.048 1729 T CA 1.343 63.542 62.100 0.166 0.000 1.139 1729 T CB -0.092 68.879 68.868 0.172 0.000 0.874 1729 T HN 0.188 nan 8.240 nan 0.000 0.455 1730 Q N 1.192 121.024 119.800 0.052 0.000 2.084 1730 Q HA -0.094 4.245 4.340 -0.001 0.000 0.202 1730 Q C 2.252 178.298 176.000 0.076 0.000 0.978 1730 Q CA 1.928 57.768 55.803 0.062 0.000 0.844 1730 Q CB -0.845 27.939 28.738 0.077 0.000 0.898 1730 Q HN 0.432 nan 8.270 nan 0.000 0.426 1731 T N 0.515 115.125 114.554 0.094 0.000 2.652 1731 T HA -0.168 4.181 4.350 -0.001 0.000 0.267 1731 T C 1.789 176.540 174.700 0.085 0.000 1.039 1731 T CA 1.582 63.743 62.100 0.100 0.000 1.153 1731 T CB -0.811 68.123 68.868 0.109 0.000 0.863 1731 T HN 0.488 nan 8.240 nan 0.000 0.428 1732 A N 0.995 123.877 122.820 0.104 0.000 1.948 1732 A HA -0.116 4.203 4.320 -0.001 0.000 0.220 1732 A C 2.586 180.206 177.584 0.060 0.000 1.177 1732 A CA 1.753 53.857 52.037 0.111 0.000 0.636 1732 A CB -1.079 18.014 19.000 0.154 0.000 0.815 1732 A HN 0.390 nan 8.150 nan 0.000 0.449 1733 V N -0.733 119.211 119.914 0.050 0.000 2.379 1733 V HA -0.274 3.845 4.120 -0.001 0.000 0.245 1733 V C 2.581 178.693 176.094 0.030 0.000 1.044 1733 V CA 2.111 64.428 62.300 0.028 0.000 1.036 1733 V CB -0.913 30.924 31.823 0.023 0.000 0.664 1733 V HN 0.625 nan 8.190 nan 0.000 0.453 1734 Q N -0.103 119.722 119.800 0.041 0.000 2.030 1734 Q HA -0.203 4.136 4.340 -0.001 0.000 0.204 1734 Q C 2.541 178.562 176.000 0.036 0.000 0.986 1734 Q CA 1.955 57.781 55.803 0.039 0.000 0.843 1734 Q CB -0.226 28.541 28.738 0.049 0.000 0.904 1734 Q HN 0.564 nan 8.270 nan 0.000 0.420 1735 R N 0.149 120.675 120.500 0.044 0.000 2.083 1735 R HA -0.131 4.208 4.340 -0.001 0.000 0.237 1735 R C 2.420 178.738 176.300 0.031 0.000 1.137 1735 R CA 1.155 57.279 56.100 0.041 0.000 0.951 1735 R CB -0.419 29.912 30.300 0.051 0.000 0.851 1735 R HN 0.146 nan 8.270 nan 0.000 0.434 1736 R N 1.554 122.070 120.500 0.028 0.000 2.080 1736 R HA -0.175 4.164 4.340 -0.001 0.000 0.236 1736 R C 1.326 177.633 176.300 0.011 0.000 1.137 1736 R CA 2.040 58.150 56.100 0.017 0.000 0.943 1736 R CB -0.652 29.653 30.300 0.008 0.000 0.846 1736 R HN 0.163 nan 8.270 nan 0.000 0.431 1737 D N -0.069 120.338 120.400 0.011 0.000 2.190 1737 D HA -0.124 4.515 4.640 -0.001 0.000 0.200 1737 D C 1.894 178.199 176.300 0.009 0.000 0.992 1737 D CA 1.962 55.966 54.000 0.007 0.000 0.854 1737 D CB -0.011 40.794 40.800 0.007 0.000 0.936 1737 D HN 0.458 nan 8.370 nan 0.000 0.462 1738 S N -0.509 115.199 115.700 0.014 0.000 2.427 1738 S HA 0.083 4.552 4.470 -0.001 0.000 0.224 1738 S C 1.873 176.482 174.600 0.014 0.000 1.047 1738 S CA -0.019 58.189 58.200 0.014 0.000 0.953 1738 S CB 0.154 63.365 63.200 0.018 0.000 0.824 1738 S HN 0.136 nan 8.310 nan 0.000 0.502 1739 R N 1.473 121.983 120.500 0.016 0.000 2.128 1739 R HA 0.439 4.778 4.340 -0.001 0.000 0.211 1739 R C 0.431 176.739 176.300 0.013 0.000 1.067 1739 R CA 0.880 56.989 56.100 0.016 0.000 1.010 1739 R CB 0.065 30.377 30.300 0.020 0.000 0.922 1739 R HN 0.425 nan 8.270 nan 0.000 0.457 1740 A N 1.098 123.925 122.820 0.012 0.000 3.156 1740 A HA 0.358 4.677 4.320 -0.001 0.000 0.311 1740 A C -2.321 175.266 177.584 0.005 0.000 1.129 1740 A CA -1.170 50.873 52.037 0.009 0.000 0.809 1740 A CB 0.867 19.874 19.000 0.011 0.000 1.257 1740 A HN -0.086 nan 8.150 nan 0.000 0.491 1741 P HA -0.196 nan 4.420 nan 0.000 0.217 1741 P C 1.705 179.002 177.300 -0.005 0.000 1.148 1741 P CA 2.394 65.493 63.100 -0.002 0.000 0.828 1741 P CB 0.088 31.788 31.700 -0.001 0.000 0.783 1742 T N -3.979 110.574 114.554 -0.001 0.000 3.023 1742 T HA 0.020 4.369 4.350 -0.001 0.000 0.266 1742 T C 0.879 175.580 174.700 0.001 0.000 1.093 1742 T CA 0.162 62.261 62.100 -0.000 0.000 1.129 1742 T CB -1.022 67.849 68.868 0.004 0.000 0.899 1742 T HN -0.163 nan 8.240 nan 0.000 0.491 1743 V N 3.738 123.653 119.914 0.002 0.000 2.585 1743 V HA 0.201 4.320 4.120 -0.001 0.000 0.296 1743 V C 0.667 176.758 176.094 -0.005 0.000 1.035 1743 V CA -0.172 62.131 62.300 0.004 0.000 1.084 1743 V CB 0.316 32.143 31.823 0.006 0.000 0.953 1743 V HN 0.463 nan 8.190 nan 0.000 0.483 1744 M N 5.114 124.717 119.600 0.005 0.000 2.342 1744 M HA 0.482 4.962 4.480 -0.001 0.000 0.332 1744 M C -0.827 175.473 176.300 0.001 0.000 1.166 1744 M CA -0.582 54.714 55.300 -0.008 0.000 1.086 1744 M CB 1.349 33.981 32.600 0.053 0.000 1.541 1744 M HN 0.311 nan 8.290 nan 0.000 0.462 1745 L N 1.532 122.738 121.223 -0.028 0.000 2.381 1745 L HA 0.478 4.817 4.340 -0.001 0.000 0.268 1745 L C -0.493 176.381 176.870 0.006 0.000 0.997 1745 L CA -0.269 54.555 54.840 -0.026 0.000 0.818 1745 L CB 1.866 43.897 42.059 -0.048 0.000 1.310 1745 L HN 0.734 nan 8.230 nan 0.000 0.416 1746 E N 1.309 121.515 120.200 0.009 0.000 2.260 1746 E HA 0.520 4.869 4.350 -0.001 0.000 0.266 1746 E C -1.348 175.226 176.600 -0.044 0.000 0.887 1746 E CA -0.400 56.026 56.400 0.044 0.000 0.777 1746 E CB 1.398 31.138 29.700 0.067 0.000 1.205 1746 E HN 0.585 nan 8.360 nan 0.000 0.414 1747 S N 2.233 117.911 115.700 -0.036 0.000 2.545 1747 S HA 0.426 4.895 4.470 -0.001 0.000 0.275 1747 S C -0.536 173.998 174.600 -0.112 0.000 1.299 1747 S CA -0.472 57.673 58.200 -0.092 0.000 1.048 1747 S CB 1.453 64.620 63.200 -0.055 0.000 0.938 1747 S HN 0.402 nan 8.310 nan 0.000 0.496 1748 S N 0.786 116.409 115.700 -0.129 0.000 2.548 1748 S HA 0.757 5.227 4.470 -0.001 0.000 0.276 1748 S C 0.412 174.960 174.600 -0.087 0.000 1.129 1748 S CA 0.302 58.442 58.200 -0.100 0.000 0.931 1748 S CB 1.145 64.305 63.200 -0.066 0.000 1.068 1748 S HN 1.176 nan 8.310 nan 0.000 0.480 1749 G N 3.192 111.948 108.800 -0.073 0.000 2.130 1749 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.222 1749 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.222 1749 G C 0.640 175.520 174.900 -0.034 0.000 1.694 1749 G CA 0.054 45.132 45.100 -0.036 0.000 1.432 1749 G HN 1.435 nan 8.290 nan 0.000 0.476 1750 G N 0.871 109.644 108.800 -0.044 0.000 3.471 1750 G HA2 0.502 4.461 3.960 -0.001 0.000 0.254 1750 G HA3 0.502 4.461 3.960 -0.001 0.000 0.254 1750 G C -0.170 174.687 174.900 -0.072 0.000 1.199 1750 G CA 0.064 45.157 45.100 -0.013 0.000 1.683 1750 G HN 0.438 nan 8.290 nan 0.000 0.625 1751 L N 1.735 122.908 121.223 -0.082 0.000 2.292 1751 L HA 0.598 4.937 4.340 -0.001 0.000 0.284 1751 L C 0.560 177.550 176.870 0.201 0.000 1.065 1751 L CA -0.723 54.105 54.840 -0.020 0.000 0.806 1751 L CB 1.452 43.499 42.059 -0.021 0.000 1.175 1751 L HN 0.243 nan 8.230 nan 0.000 0.431 1752 S N 2.356 118.192 115.700 0.226 0.000 2.599 1752 S HA 0.423 4.892 4.470 -0.001 0.000 0.287 1752 S C 0.489 175.058 174.600 -0.052 0.000 1.105 1752 S CA -0.718 57.596 58.200 0.190 0.000 0.899 1752 S CB 1.232 64.491 63.200 0.099 0.000 1.100 1752 S HN 0.416 nan 8.310 nan 0.000 0.482 1753 L N 1.584 122.601 121.223 -0.342 0.000 2.265 1753 L HA -0.035 4.305 4.340 -0.001 0.000 0.215 1753 L C 2.484 179.124 176.870 -0.383 0.000 1.117 1753 L CA 1.827 56.175 54.840 -0.819 0.000 0.782 1753 L CB -0.920 40.685 42.059 -0.756 0.000 0.914 1753 L HN 0.805 nan 8.230 nan 0.000 0.441 1754 Q N -1.217 118.480 119.800 -0.171 0.000 2.123 1754 Q HA -0.089 4.250 4.340 -0.001 0.000 0.199 1754 Q C 1.996 177.982 176.000 -0.024 0.000 0.966 1754 Q CA 1.863 57.616 55.803 -0.082 0.000 0.845 1754 Q CB -1.334 27.386 28.738 -0.030 0.000 0.907 1754 Q HN 0.666 nan 8.270 nan 0.000 0.439 1755 T N -2.087 112.491 114.554 0.041 0.000 3.057 1755 T HA 0.396 4.745 4.350 -0.001 0.000 0.254 1755 T C 1.982 176.833 174.700 0.252 0.000 1.094 1755 T CA 0.542 62.744 62.100 0.170 0.000 1.088 1755 T CB -0.056 69.009 68.868 0.328 0.000 0.934 1755 T HN 0.244 nan 8.240 nan 0.000 0.497 1756 A N 2.442 125.336 122.820 0.124 0.000 1.896 1756 A HA -0.019 4.301 4.320 -0.001 0.000 0.220 1756 A C 2.811 180.500 177.584 0.175 0.000 1.206 1756 A CA 2.545 54.683 52.037 0.168 0.000 0.647 1756 A CB -1.588 17.393 19.000 -0.032 0.000 0.828 1756 A HN 0.814 nan 8.150 nan 0.000 0.455 1757 A N -1.694 121.170 122.820 0.073 0.000 1.933 1757 A HA -0.061 4.258 4.320 -0.001 0.000 0.218 1757 A C 2.297 179.921 177.584 0.068 0.000 1.175 1757 A CA 2.331 54.403 52.037 0.058 0.000 0.628 1757 A CB -1.268 17.738 19.000 0.010 0.000 0.814 1757 A HN 0.495 nan 8.150 nan 0.000 0.444 1758 T N -1.184 113.409 114.554 0.064 0.000 2.708 1758 T HA -0.168 4.181 4.350 -0.001 0.000 0.266 1758 T C 1.726 176.404 174.700 -0.038 0.000 1.037 1758 T CA 1.863 63.959 62.100 -0.007 0.000 1.146 1758 T CB -0.465 68.371 68.868 -0.054 0.000 0.865 1758 T HN 0.562 nan 8.240 nan 0.000 0.435 1759 Y N 1.375 121.705 120.300 0.050 0.000 2.242 1759 Y HA 0.024 4.573 4.550 -0.001 0.000 0.291 1759 Y C 2.718 178.644 175.900 0.043 0.000 1.137 1759 Y CA 0.698 58.831 58.100 0.054 0.000 1.181 1759 Y CB -0.693 37.811 38.460 0.072 0.000 0.989 1759 Y HN 0.194 nan 8.280 nan 0.000 0.527 1760 A N 0.215 123.151 122.820 0.193 0.000 1.908 1760 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 1760 A C 1.949 179.569 177.584 0.061 0.000 1.181 1760 A CA 1.926 54.032 52.037 0.116 0.000 0.627 1760 A CB -0.655 18.406 19.000 0.101 0.000 0.818 1760 A HN 0.519 nan 8.150 nan 0.000 0.445 1761 E N -0.523 119.702 120.200 0.042 0.000 2.409 1761 E HA -0.108 4.241 4.350 -0.001 0.000 0.198 1761 E C 1.965 178.573 176.600 0.012 0.000 1.024 1761 E CA 1.155 57.566 56.400 0.018 0.000 0.861 1761 E CB -0.240 29.465 29.700 0.008 0.000 0.788 1761 E HN 0.888 nan 8.360 nan 0.000 0.521 1762 T N -3.381 111.183 114.554 0.017 0.000 2.995 1762 T HA 0.027 4.376 4.350 -0.001 0.000 0.269 1762 T C 1.637 176.347 174.700 0.016 0.000 1.091 1762 T CA 0.818 62.927 62.100 0.015 0.000 1.128 1762 T CB 0.227 69.107 68.868 0.020 0.000 0.891 1762 T HN 0.261 nan 8.240 nan 0.000 0.492 1763 G N 0.768 109.575 108.800 0.012 0.000 2.184 1763 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.206 1763 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.206 1763 G C 0.127 175.013 174.900 -0.024 0.000 0.995 1763 G CA -0.137 44.959 45.100 -0.007 0.000 0.651 1763 G HN 1.353 nan 8.290 nan 0.000 0.511 1764 V N -0.985 118.925 119.914 -0.006 0.000 2.901 1764 V HA 0.425 4.544 4.120 -0.001 0.000 0.307 1764 V C 1.211 177.244 176.094 -0.101 0.000 1.084 1764 V CA 1.172 63.453 62.300 -0.031 0.000 1.184 1764 V CB 0.674 32.507 31.823 0.016 0.000 0.941 1764 V HN 0.186 nan 8.190 nan 0.000 0.493 1765 D N 1.076 121.351 120.400 -0.208 0.000 2.234 1765 D HA 0.155 4.795 4.640 -0.001 0.000 0.205 1765 D C -0.371 175.562 176.300 -0.611 0.000 0.962 1765 D CA 1.463 55.175 54.000 -0.480 0.000 0.855 1765 D CB -0.029 40.347 40.800 -0.707 0.000 0.951 1765 D HN 0.696 nan 8.370 nan 0.000 0.500 1766 Y N -1.079 119.195 120.300 -0.044 0.000 2.625 1766 Y HA 0.526 5.075 4.550 -0.001 0.000 0.338 1766 Y C -1.158 174.711 175.900 -0.052 0.000 1.123 1766 Y CA -1.256 56.808 58.100 -0.060 0.000 1.046 1766 Y CB 1.205 39.595 38.460 -0.117 0.000 1.299 1766 Y HN -0.324 nan 8.280 nan 0.000 0.464 1767 L N 1.852 123.154 121.223 0.132 0.000 2.372 1767 L HA 0.790 5.129 4.340 -0.001 0.000 0.274 1767 L C -0.456 176.375 176.870 -0.065 0.000 0.988 1767 L CA -0.728 54.130 54.840 0.029 0.000 0.833 1767 L CB 1.701 43.804 42.059 0.075 0.000 1.236 1767 L HN 0.766 nan 8.230 nan 0.000 0.410 1768 A N 4.222 126.981 122.820 -0.101 0.000 2.279 1768 A HA 0.673 4.992 4.320 -0.001 0.000 0.306 1768 A C -0.546 176.912 177.584 -0.210 0.000 1.300 1768 A CA -0.404 51.554 52.037 -0.132 0.000 0.925 1768 A CB 0.277 19.237 19.000 -0.066 0.000 1.152 1768 A HN 0.404 nan 8.150 nan 0.000 0.544 1769 V N 3.902 123.625 119.914 -0.318 0.000 2.275 1769 V HA 0.332 4.451 4.120 -0.001 0.000 0.272 1769 V C 1.459 177.329 176.094 -0.372 0.000 1.028 1769 V CA 0.234 62.244 62.300 -0.483 0.000 0.810 1769 V CB 0.662 31.896 31.823 -0.981 0.000 1.043 1769 V HN 1.031 nan 8.190 nan 0.000 0.453 1770 G N 3.506 112.165 108.800 -0.236 0.000 2.432 1770 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.219 1770 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.219 1770 G C 1.546 176.024 174.900 -0.704 0.000 1.135 1770 G CA 1.035 46.017 45.100 -0.196 0.000 0.767 1770 G HN 0.831 nan 8.290 nan 0.000 0.550 1771 A N 0.245 122.624 122.820 -0.735 0.000 2.125 1771 A HA 0.093 4.412 4.320 -0.001 0.000 0.219 1771 A C 2.219 179.516 177.584 -0.479 0.000 1.156 1771 A CA 1.017 52.582 52.037 -0.786 0.000 0.671 1771 A CB -0.251 18.602 19.000 -0.245 0.000 0.794 1771 A HN 0.296 nan 8.150 nan 0.000 0.459 1772 L N -0.061 120.905 121.223 -0.429 0.000 2.131 1772 L HA -0.112 4.228 4.340 -0.001 0.000 0.210 1772 L C 2.698 179.433 176.870 -0.225 0.000 1.092 1772 L CA 2.489 57.151 54.840 -0.297 0.000 0.759 1772 L CB -0.873 40.996 42.059 -0.317 0.000 0.903 1772 L HN 0.689 nan 8.230 nan 0.000 0.435 1773 T N -4.793 109.619 114.554 -0.236 0.000 2.999 1773 T HA 0.102 4.451 4.350 -0.001 0.000 0.247 1773 T C 0.708 175.397 174.700 -0.019 0.000 1.012 1773 T CA 0.073 62.110 62.100 -0.105 0.000 1.048 1773 T CB -0.278 68.556 68.868 -0.056 0.000 1.020 1773 T HN 0.400 nan 8.240 nan 0.000 0.478 1774 H N 1.056 120.125 119.070 -0.002 0.000 2.500 1774 H HA 0.718 5.273 4.556 -0.001 0.000 0.351 1774 H C 0.271 175.612 175.328 0.022 0.000 1.281 1774 H CA -0.618 55.441 56.048 0.019 0.000 1.368 1774 H CB 0.235 29.999 29.762 0.004 0.000 1.616 1774 H HN 0.017 nan 8.280 nan 0.000 0.591 1775 S N -1.105 114.787 115.700 0.320 0.000 3.550 1775 S HA -0.131 4.338 4.470 -0.001 0.000 0.372 1775 S C 0.009 174.649 174.600 0.066 0.000 0.966 1775 S CA 0.589 58.908 58.200 0.197 0.000 1.229 1775 S CB -2.349 61.013 63.200 0.270 0.000 0.917 1775 S HN 1.031 nan 8.310 nan 0.000 0.496 1776 V N -0.704 119.249 119.914 0.065 0.000 2.612 1776 V HA 0.778 4.898 4.120 -0.001 0.000 0.301 1776 V C 0.100 176.213 176.094 0.031 0.000 1.046 1776 V CA -1.144 61.158 62.300 0.003 0.000 0.946 1776 V CB 1.951 33.708 31.823 -0.109 0.000 1.003 1776 V HN 0.467 nan 8.190 nan 0.000 0.459 1777 R N 3.788 124.293 120.500 0.007 0.000 2.343 1777 R HA 0.617 4.956 4.340 -0.001 0.000 0.320 1777 R C -0.841 175.462 176.300 0.006 0.000 0.956 1777 R CA -0.584 55.529 56.100 0.022 0.000 0.836 1777 R CB 1.781 32.094 30.300 0.023 0.000 1.151 1777 R HN 0.862 nan 8.270 nan 0.000 0.450 1778 V N 5.550 125.482 119.914 0.029 0.000 2.788 1778 V HA -0.002 4.117 4.120 -0.001 0.000 0.307 1778 V C -0.134 175.967 176.094 0.011 0.000 1.069 1778 V CA 0.004 62.321 62.300 0.028 0.000 1.173 1778 V CB 0.826 32.682 31.823 0.054 0.000 0.925 1778 V HN 0.647 nan 8.190 nan 0.000 0.492 1779 L N 5.979 127.205 121.223 0.004 0.000 2.278 1779 L HA 0.408 4.748 4.340 -0.001 0.000 0.287 1779 L C -0.034 176.841 176.870 0.009 0.000 1.072 1779 L CA 0.017 54.858 54.840 0.002 0.000 0.819 1779 L CB 0.933 42.990 42.059 -0.004 0.000 1.176 1779 L HN 0.740 nan 8.230 nan 0.000 0.435 1780 D N 5.655 126.060 120.400 0.009 0.000 2.382 1780 D HA 0.269 4.909 4.640 -0.001 0.000 0.259 1780 D C -0.639 175.666 176.300 0.007 0.000 1.224 1780 D CA 0.517 54.523 54.000 0.010 0.000 0.894 1780 D CB 0.223 41.028 40.800 0.008 0.000 1.127 1780 D HN 0.441 nan 8.370 nan 0.000 0.487 1781 I N 2.413 122.988 120.570 0.008 0.000 2.686 1781 I HA 0.540 4.709 4.170 -0.001 0.000 0.295 1781 I C 0.599 176.718 176.117 0.004 0.000 1.114 1781 I CA -1.051 60.252 61.300 0.006 0.000 1.038 1781 I CB 2.452 40.456 38.000 0.006 0.000 1.238 1781 I HN 0.361 nan 8.210 nan 0.000 0.420 1782 G N 4.117 112.918 108.800 0.002 0.000 2.498 1782 G HA2 0.669 4.628 3.960 -0.001 0.000 0.312 1782 G HA3 0.669 4.628 3.960 -0.001 0.000 0.312 1782 G C -1.853 173.046 174.900 -0.002 0.000 1.230 1782 G CA -0.588 44.512 45.100 0.000 0.000 0.968 1782 G HN 0.391 nan 8.290 nan 0.000 0.481 1783 L N 1.098 122.319 121.223 -0.004 0.000 2.276 1783 L HA 0.513 4.852 4.340 -0.001 0.000 0.286 1783 L C -1.146 175.722 176.870 -0.003 0.000 1.024 1783 L CA -0.812 54.025 54.840 -0.006 0.000 0.826 1783 L CB 1.150 43.203 42.059 -0.011 0.000 1.211 1783 L HN 0.244 nan 8.230 nan 0.000 0.422 1784 D N 6.442 126.841 120.400 -0.002 0.000 2.280 1784 D HA 0.470 5.109 4.640 -0.001 0.000 0.236 1784 D C -0.076 176.225 176.300 0.001 0.000 1.082 1784 D CA 0.121 54.121 54.000 0.000 0.000 0.834 1784 D CB 1.594 42.394 40.800 0.001 0.000 1.100 1784 D HN 0.528 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 0.003 0.000 1.302 1785 M HN 0.000 nan 8.290 nan 0.000 0.411