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 2v5n_1_A DATA FIRST_RESID 1516 DATA SEQUENCE cQVTNPSTGH LFDLSSLSGR AGFTAAYSEK GLVYXSIcGE NENcPPGVGA DATA SEQUENCE cFGQTRISVG KANKRLRYVD QVLQLVYKDG SPcPSKSGLS YKSVISFVcR DATA SEQUENCE PEAGPTNRPX LISLDKQTcT LFFSWHTPLA cEQATEcSVR NGSSIVDLSP DATA SEQUENCE LIHRTGGYEA YXXXXXXXXX XNPDFYINIc QPLNPXHAVP cPAGAAVcKV DATA SEQUENCE PIDGPPIDIG RVAGPPILNP IANEIYLNFE SSTPcLADKH FNYTSLIAFH DATA SEQUENCE cKRGVSXGTP KLLRTSEcDF VFEWETPVVc PD 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 1516 c HA 0.000 nan 4.570 nan 0.000 0.325 1516 c C 0.000 174.078 174.090 -0.019 0.000 1.270 1516 c CA 0.000 56.335 56.329 0.010 0.000 1.963 1516 c CB 0.000 42.519 42.510 0.015 0.000 2.134 1517 Q N 0.481 120.280 119.800 -0.001 0.000 2.379 1517 Q HA 0.905 5.246 4.340 0.001 0.000 0.278 1517 Q C -1.651 174.372 176.000 0.037 0.000 1.068 1517 Q CA -0.811 54.995 55.803 0.006 0.000 0.816 1517 Q CB 2.654 31.391 28.738 -0.001 0.000 1.387 1517 Q HN 0.175 nan 8.270 nan 0.000 0.413 1518 V N 0.475 120.438 119.914 0.083 0.000 3.114 1518 V HA 0.694 4.814 4.120 0.001 0.000 0.308 1518 V C -1.380 174.823 176.094 0.183 0.000 1.168 1518 V CA -0.315 62.054 62.300 0.115 0.000 1.015 1518 V CB 2.699 34.597 31.823 0.125 0.000 1.050 1518 V HN 0.976 nan 8.190 nan 0.000 0.433 1519 T N 2.576 117.195 114.554 0.107 0.000 2.855 1519 T HA 0.426 4.777 4.350 0.001 0.000 0.281 1519 T C -0.480 174.173 174.700 -0.079 0.000 1.007 1519 T CA -0.508 61.617 62.100 0.042 0.000 1.009 1519 T CB 0.884 69.735 68.868 -0.028 0.000 0.983 1519 T HN 0.858 nan 8.240 nan 0.000 0.455 1520 N N 4.888 123.496 118.700 -0.153 0.000 2.402 1520 N HA 0.304 5.044 4.740 0.001 0.000 0.252 1520 N C -1.854 173.530 175.510 -0.210 0.000 1.118 1520 N CA -1.875 50.883 53.050 -0.487 0.000 0.945 1520 N CB 1.377 39.670 38.487 -0.323 0.000 1.147 1520 N HN 0.318 nan 8.380 nan 0.000 0.495 1521 P HA -0.018 nan 4.420 nan 0.000 0.231 1521 P C 0.268 177.563 177.300 -0.009 0.000 1.158 1521 P CA 0.794 63.872 63.100 -0.036 0.000 0.763 1521 P CB 0.411 32.121 31.700 0.017 0.000 0.805 1522 S N -1.125 114.571 115.700 -0.006 0.000 2.384 1522 S HA -0.044 4.427 4.470 0.001 0.000 0.217 1522 S C 1.729 176.337 174.600 0.014 0.000 1.041 1522 S CA 1.609 59.824 58.200 0.025 0.000 0.948 1522 S CB -0.927 62.310 63.200 0.061 0.000 0.872 1522 S HN 0.303 nan 8.310 nan 0.000 0.512 1523 T N -1.175 113.385 114.554 0.009 0.000 3.069 1523 T HA 0.429 4.780 4.350 0.001 0.000 0.252 1523 T C 1.204 175.903 174.700 -0.001 0.000 1.053 1523 T CA 0.565 62.671 62.100 0.011 0.000 0.964 1523 T CB 0.234 69.114 68.868 0.020 0.000 1.005 1523 T HN 0.582 nan 8.240 nan 0.000 0.532 1524 G N 1.885 110.672 108.800 -0.022 0.000 2.246 1524 G HA2 -0.255 3.706 3.960 0.001 0.000 0.273 1524 G HA3 -0.255 3.706 3.960 0.001 0.000 0.273 1524 G C -0.206 174.647 174.900 -0.078 0.000 1.055 1524 G CA 0.118 45.190 45.100 -0.047 0.000 0.851 1524 G HN 0.847 nan 8.290 nan 0.000 0.500 1525 H N 0.227 119.171 119.070 -0.210 0.000 2.556 1525 H HA 0.443 4.999 4.556 0.000 0.000 0.310 1525 H C 0.026 175.056 175.328 -0.496 0.000 1.057 1525 H CA -0.752 55.081 56.048 -0.357 0.000 1.264 1525 H CB 1.093 30.597 29.762 -0.431 0.000 1.404 1525 H HN 0.248 nan 8.280 nan 0.000 0.462 1526 L N 6.759 127.570 121.223 -0.686 0.000 2.319 1526 L HA 0.253 4.593 4.340 0.001 0.000 0.280 1526 L C -1.270 175.245 176.870 -0.592 0.000 1.099 1526 L CA 0.027 54.591 54.840 -0.460 0.000 0.828 1526 L CB -0.374 41.503 42.059 -0.303 0.000 1.150 1526 L HN 0.454 nan 8.230 nan 0.000 0.442 1527 F N 3.802 123.715 119.950 -0.060 0.000 2.422 1527 F HA 0.385 4.912 4.527 0.001 0.000 0.333 1527 F C 0.519 176.272 175.800 -0.077 0.000 1.095 1527 F CA -0.560 57.428 58.000 -0.020 0.000 1.038 1527 F CB 1.415 40.434 39.000 0.032 0.000 1.156 1527 F HN 0.439 nan 8.300 nan 0.000 0.483 1528 D N 4.071 124.516 120.400 0.074 0.000 2.549 1528 D HA 0.298 4.938 4.640 0.001 0.000 0.251 1528 D C -0.142 176.118 176.300 -0.068 0.000 1.153 1528 D CA -0.159 53.833 54.000 -0.012 0.000 0.861 1528 D CB 1.503 42.282 40.800 -0.035 0.000 1.207 1528 D HN 0.581 nan 8.370 nan 0.000 0.543 1529 L N 2.785 123.932 121.223 -0.126 0.000 2.693 1529 L HA 0.012 4.352 4.340 0.001 0.000 0.235 1529 L C 2.285 179.082 176.870 -0.122 0.000 1.127 1529 L CA 0.031 54.734 54.840 -0.227 0.000 0.914 1529 L CB 0.194 41.985 42.059 -0.446 0.000 1.193 1529 L HN 0.336 nan 8.230 nan 0.000 0.502 1530 S N -1.252 114.414 115.700 -0.058 0.000 2.469 1530 S HA -0.201 4.270 4.470 0.001 0.000 0.238 1530 S C 2.101 176.706 174.600 0.009 0.000 0.998 1530 S CA 1.382 59.576 58.200 -0.010 0.000 0.957 1530 S CB -0.203 62.994 63.200 -0.005 0.000 0.764 1530 S HN 0.374 nan 8.310 nan 0.000 0.514 1531 S N 1.097 116.791 115.700 -0.010 0.000 2.400 1531 S HA 0.052 4.523 4.470 0.001 0.000 0.232 1531 S C 1.456 176.101 174.600 0.075 0.000 1.025 1531 S CA 1.251 59.461 58.200 0.016 0.000 0.993 1531 S CB -0.479 62.714 63.200 -0.012 0.000 0.808 1531 S HN 0.686 nan 8.310 nan 0.000 0.478 1532 L N 1.560 122.830 121.223 0.077 0.000 2.640 1532 L HA 0.251 4.591 4.340 0.001 0.000 0.230 1532 L C 1.107 178.177 176.870 0.333 0.000 1.123 1532 L CA -0.167 54.835 54.840 0.271 0.000 0.900 1532 L CB -0.122 41.976 42.059 0.065 0.000 1.146 1532 L HN 0.242 nan 8.230 nan 0.000 0.484 1533 S N 0.163 115.966 115.700 0.171 0.000 2.596 1533 S HA 0.602 5.073 4.470 0.001 0.000 0.260 1533 S C 0.423 175.089 174.600 0.111 0.000 1.336 1533 S CA 0.165 58.453 58.200 0.147 0.000 0.993 1533 S CB 1.164 64.415 63.200 0.085 0.000 0.923 1533 S HN 0.362 nan 8.310 nan 0.000 0.567 1534 G N 0.479 109.330 108.800 0.086 0.000 2.528 1534 G HA2 -0.013 3.948 3.960 0.001 0.000 0.681 1534 G HA3 -0.013 3.948 3.960 0.001 0.000 0.681 1534 G C -0.030 174.884 174.900 0.023 0.000 1.340 1534 G CA -0.627 44.494 45.100 0.035 0.000 0.855 1534 G HN 0.628 nan 8.290 nan 0.000 0.649 1535 R N 0.745 121.249 120.500 0.007 0.000 2.148 1535 R HA 0.024 4.365 4.340 0.001 0.000 0.227 1535 R C 3.055 179.346 176.300 -0.015 0.000 1.103 1535 R CA 1.865 57.967 56.100 0.004 0.000 0.983 1535 R CB -0.197 30.101 30.300 -0.003 0.000 0.874 1535 R HN 0.784 nan 8.270 nan 0.000 0.451 1536 A N 1.122 123.914 122.820 -0.047 0.000 1.883 1536 A HA 0.016 4.337 4.320 0.001 0.000 0.217 1536 A C 1.369 178.874 177.584 -0.131 0.000 1.186 1536 A CA 1.509 53.499 52.037 -0.079 0.000 0.624 1536 A CB -0.962 17.980 19.000 -0.097 0.000 0.822 1536 A HN 0.492 nan 8.150 nan 0.000 0.444 1537 G N -2.225 106.425 108.800 -0.250 0.000 2.641 1537 G HA2 -0.097 3.863 3.960 0.001 0.000 0.254 1537 G HA3 -0.097 3.863 3.960 0.001 0.000 0.254 1537 G C -0.190 174.348 174.900 -0.603 0.000 1.315 1537 G CA 0.206 45.105 45.100 -0.335 0.000 0.907 1537 G HN 0.917 nan 8.290 nan 0.000 0.572 1538 F N -0.779 119.231 119.950 0.101 0.000 2.691 1538 F HA 0.808 5.335 4.527 0.000 0.000 0.334 1538 F C 0.730 176.476 175.800 -0.090 0.000 1.107 1538 F CA -0.128 57.876 58.000 0.006 0.000 0.991 1538 F CB 1.937 40.915 39.000 -0.035 0.000 1.400 1538 F HN 0.877 nan 8.300 nan 0.000 0.503 1539 T N -1.048 113.512 114.554 0.010 0.000 2.876 1539 T HA 0.869 5.219 4.350 0.001 0.000 0.289 1539 T C -1.167 173.380 174.700 -0.255 0.000 1.014 1539 T CA -0.822 61.147 62.100 -0.218 0.000 0.986 1539 T CB 1.651 70.305 68.868 -0.357 0.000 1.021 1539 T HN 0.980 nan 8.240 nan 0.000 0.458 1540 A N 1.794 124.442 122.820 -0.286 0.000 2.330 1540 A HA 0.872 5.192 4.320 0.001 0.000 0.313 1540 A C 0.242 177.724 177.584 -0.170 0.000 1.124 1540 A CA -0.849 51.042 52.037 -0.242 0.000 0.774 1540 A CB 0.773 19.614 19.000 -0.264 0.000 1.198 1540 A HN 1.482 nan 8.150 nan 0.000 0.465 1541 A N 1.607 124.326 122.820 -0.168 0.000 2.366 1541 A HA 0.540 4.860 4.320 0.001 0.000 0.272 1541 A C 0.147 177.668 177.584 -0.105 0.000 1.135 1541 A CA -0.149 51.768 52.037 -0.201 0.000 0.804 1541 A CB -0.174 18.703 19.000 -0.206 0.000 1.064 1541 A HN 1.655 nan 8.150 nan 0.000 0.499 1542 Y N 1.166 121.407 120.300 -0.098 0.000 2.445 1542 Y HA 0.478 5.029 4.550 0.001 0.000 0.247 1542 Y C 0.450 176.308 175.900 -0.070 0.000 1.129 1542 Y CA 0.174 58.216 58.100 -0.096 0.000 1.251 1542 Y CB -0.012 38.369 38.460 -0.132 0.000 1.176 1542 Y HN 0.767 nan 8.280 nan 0.000 0.522 1543 S N -0.842 114.659 115.700 -0.332 0.000 2.636 1543 S HA 0.472 4.943 4.470 0.001 0.000 0.268 1543 S C 0.692 175.166 174.600 -0.210 0.000 1.159 1543 S CA -0.098 57.988 58.200 -0.189 0.000 0.815 1543 S CB 0.728 63.856 63.200 -0.120 0.000 1.130 1543 S HN 0.268 nan 8.310 nan 0.000 0.471 1544 E N 0.391 120.519 120.200 -0.120 0.000 2.273 1544 E HA -0.102 4.248 4.350 0.001 0.000 0.198 1544 E C 1.387 177.916 176.600 -0.118 0.000 1.002 1544 E CA 2.046 58.387 56.400 -0.097 0.000 0.828 1544 E CB -0.780 28.889 29.700 -0.053 0.000 0.747 1544 E HN 0.726 nan 8.360 nan 0.000 0.491 1545 K N -2.504 117.803 120.400 -0.156 0.000 2.567 1545 K HA 0.251 4.572 4.320 0.001 0.000 0.218 1545 K C 1.097 177.559 176.600 -0.229 0.000 1.440 1545 K CA 0.259 56.459 56.287 -0.145 0.000 0.995 1545 K CB 1.552 34.007 32.500 -0.076 0.000 1.186 1545 K HN 0.250 nan 8.250 nan 0.000 0.593 1546 G N 1.748 110.296 108.800 -0.421 0.000 2.370 1546 G HA2 0.489 4.450 3.960 0.001 0.000 0.272 1546 G HA3 0.489 4.450 3.960 0.001 0.000 0.272 1546 G C -0.936 173.330 174.900 -1.057 0.000 1.208 1546 G CA -0.093 44.538 45.100 -0.782 0.000 0.856 1546 G HN -0.148 nan 8.290 nan 0.000 0.500 1547 L N 1.943 122.859 121.223 -0.512 0.000 2.370 1547 L HA 0.505 4.845 4.340 0.001 0.000 0.266 1547 L C 0.090 176.944 176.870 -0.026 0.000 1.002 1547 L CA -1.150 53.479 54.840 -0.351 0.000 0.818 1547 L CB 2.126 43.873 42.059 -0.520 0.000 1.325 1547 L HN 0.282 nan 8.230 nan 0.000 0.418 1548 V N 2.419 122.304 119.914 -0.047 0.000 2.481 1548 V HA 0.432 4.553 4.120 0.001 0.000 0.286 1548 V C -0.410 175.576 176.094 -0.181 0.000 1.042 1548 V CA -0.523 61.814 62.300 0.061 0.000 0.928 1548 V CB 1.185 33.038 31.823 0.050 0.000 0.986 1548 V HN 0.517 nan 8.190 nan 0.000 0.462 1552 I N 1.904 122.768 120.570 0.490 0.000 2.330 1552 I HA 0.380 4.550 4.170 0.001 0.000 0.286 1552 I C -0.066 176.247 176.117 0.327 0.000 1.025 1552 I CA -0.337 61.243 61.300 0.467 0.000 1.197 1552 I CB -0.144 38.110 38.000 0.424 0.000 1.358 1552 I HN 0.891 nan 8.210 nan 0.000 0.467 1553 c N 4.207 123.021 118.600 0.357 0.000 1.470 1553 c HA 0.196 4.766 4.570 0.001 0.000 0.220 1553 c C 0.900 175.059 174.090 0.115 0.000 0.693 1553 c CA 0.336 56.785 56.329 0.199 0.000 3.299 1553 c CB -2.034 40.558 42.510 0.136 0.000 1.904 1553 c HN 1.540 nan 8.230 nan 0.000 0.274 1554 G N 2.579 111.396 108.800 0.027 0.000 2.663 1554 G HA2 0.316 4.276 3.960 0.001 0.000 0.686 1554 G HA3 0.316 4.276 3.960 0.001 0.000 0.686 1554 G C -0.534 174.349 174.900 -0.027 0.000 1.246 1554 G CA 0.073 45.171 45.100 -0.003 0.000 0.795 1554 G HN 1.754 nan 8.290 nan 0.000 0.627 1555 E N 0.388 120.565 120.200 -0.038 0.000 2.369 1555 E HA 0.386 4.736 4.350 0.001 0.000 0.255 1555 E C 0.057 176.663 176.600 0.009 0.000 1.172 1555 E CA -0.804 55.572 56.400 -0.039 0.000 0.932 1555 E CB 0.929 30.605 29.700 -0.041 0.000 1.040 1555 E HN 0.487 nan 8.360 nan 0.000 0.454 1556 N N 0.573 119.286 118.700 0.022 0.000 2.430 1556 N HA -0.036 4.704 4.740 0.001 0.000 0.292 1556 N C 0.700 176.213 175.510 0.006 0.000 1.051 1556 N CA -0.166 52.909 53.050 0.041 0.000 0.917 1556 N CB 1.253 39.795 38.487 0.092 0.000 1.164 1556 N HN 0.717 nan 8.380 nan 0.000 0.484 1557 E N 2.187 122.385 120.200 -0.004 0.000 2.209 1557 E HA -0.174 4.177 4.350 0.001 0.000 0.196 1557 E C 0.019 176.584 176.600 -0.057 0.000 0.993 1557 E CA 1.165 57.549 56.400 -0.027 0.000 0.819 1557 E CB -0.071 29.614 29.700 -0.025 0.000 0.745 1557 E HN 0.479 nan 8.360 nan 0.000 0.477 1558 N N 0.248 118.901 118.700 -0.077 0.000 2.313 1558 N HA 0.098 4.838 4.740 0.001 0.000 0.207 1558 N C -0.495 174.906 175.510 -0.181 0.000 1.141 1558 N CA 0.135 53.068 53.050 -0.194 0.000 0.830 1558 N CB 0.272 38.529 38.487 -0.383 0.000 1.008 1558 N HN 0.163 nan 8.380 nan 0.000 0.481 1559 c N 0.084 118.633 118.600 -0.085 0.000 3.108 1559 c HA 0.532 5.102 4.570 0.001 0.000 0.321 1559 c C -2.147 171.914 174.090 -0.048 0.000 1.357 1559 c CA -1.276 55.020 56.329 -0.055 0.000 1.562 1559 c CB 1.702 44.211 42.510 -0.003 0.000 2.003 1559 c HN 0.128 nan 8.230 nan 0.000 0.460 1560 P HA 0.252 nan 4.420 nan 0.000 0.272 1560 P C -2.670 174.614 177.300 -0.027 0.000 1.230 1560 P CA -0.708 62.372 63.100 -0.034 0.000 0.788 1560 P CB -0.433 31.249 31.700 -0.029 0.000 0.949 1561 P HA 0.020 nan 4.420 nan 0.000 0.264 1561 P C 1.094 178.379 177.300 -0.025 0.000 1.183 1561 P CA 1.468 64.554 63.100 -0.024 0.000 0.763 1561 P CB 0.016 31.704 31.700 -0.021 0.000 0.807 1562 G N 1.492 110.273 108.800 -0.033 0.000 2.498 1562 G HA2 -0.273 3.688 3.960 0.001 0.000 0.229 1562 G HA3 -0.273 3.688 3.960 0.001 0.000 0.229 1562 G C 0.102 174.963 174.900 -0.064 0.000 1.156 1562 G CA 0.070 45.143 45.100 -0.044 0.000 0.680 1562 G HN 0.559 nan 8.290 nan 0.000 0.512 1563 V N 2.582 122.471 119.914 -0.041 0.000 2.450 1563 V HA 0.449 4.570 4.120 0.001 0.000 0.281 1563 V C 1.790 177.860 176.094 -0.040 0.000 1.019 1563 V CA 1.213 63.496 62.300 -0.029 0.000 1.062 1563 V CB 0.905 32.730 31.823 0.003 0.000 0.979 1563 V HN 0.810 nan 8.190 nan 0.000 0.477 1564 G N 3.534 112.273 108.800 -0.101 0.000 2.744 1564 G HA2 0.458 4.419 3.960 0.001 0.000 0.211 1564 G HA3 0.458 4.419 3.960 0.001 0.000 0.211 1564 G C 0.420 175.413 174.900 0.154 0.000 1.146 1564 G CA 0.711 45.743 45.100 -0.112 0.000 0.787 1564 G HN 0.968 nan 8.290 nan 0.000 0.534 1565 A N -0.617 122.329 122.820 0.211 0.000 2.427 1565 A HA 0.658 4.978 4.320 0.001 0.000 0.298 1565 A C -0.546 177.170 177.584 0.220 0.000 1.036 1565 A CA -0.178 52.005 52.037 0.244 0.000 0.701 1565 A CB 0.724 19.895 19.000 0.285 0.000 1.250 1565 A HN 1.048 nan 8.150 nan 0.000 0.412 1566 c N 0.147 118.893 118.600 0.244 0.000 3.318 1566 c HA 1.007 5.578 4.570 0.001 0.000 0.322 1566 c C -1.051 173.287 174.090 0.413 0.000 1.398 1566 c CA -0.902 55.571 56.329 0.240 0.000 1.339 1566 c CB 0.593 43.158 42.510 0.092 0.000 1.668 1566 c HN 1.875 nan 8.230 nan 0.000 0.462 1567 F N -0.547 119.476 119.950 0.123 0.000 2.745 1567 F HA 0.940 5.468 4.527 0.001 0.000 0.316 1567 F C 0.082 175.951 175.800 0.115 0.000 1.155 1567 F CA 0.044 58.164 58.000 0.200 0.000 0.937 1567 F CB 0.885 39.977 39.000 0.153 0.000 1.361 1567 F HN 2.279 nan 8.300 nan 0.000 0.472 1568 G N 1.350 110.285 108.800 0.224 0.000 2.755 1568 G HA2 -0.152 3.809 3.960 0.001 0.000 0.686 1568 G HA3 -0.152 3.809 3.960 0.001 0.000 0.686 1568 G C -0.136 174.760 174.900 -0.008 0.000 1.427 1568 G CA 0.149 45.269 45.100 0.035 0.000 0.873 1568 G HN 1.210 nan 8.290 nan 0.000 0.580 1569 Q N -0.651 119.157 119.800 0.014 0.000 2.308 1569 Q HA -0.019 4.321 4.340 0.001 0.000 0.209 1569 Q C 2.339 178.308 176.000 -0.052 0.000 0.985 1569 Q CA 2.771 58.573 55.803 -0.002 0.000 0.881 1569 Q CB -0.045 28.698 28.738 0.010 0.000 0.917 1569 Q HN 1.177 nan 8.270 nan 0.000 0.443 1570 T N -3.172 111.323 114.554 -0.098 0.000 3.331 1570 T HA 0.328 4.678 4.350 0.001 0.000 0.282 1570 T C -0.250 174.359 174.700 -0.151 0.000 1.010 1570 T CA -0.612 61.422 62.100 -0.110 0.000 0.928 1570 T CB 0.409 69.220 68.868 -0.095 0.000 1.154 1570 T HN 0.096 nan 8.240 nan 0.000 0.516 1571 R N 0.718 121.120 120.500 -0.164 0.000 3.610 1571 R HA -0.143 4.197 4.340 0.001 0.000 0.274 1571 R C -0.018 176.167 176.300 -0.192 0.000 1.123 1571 R CA 0.186 56.193 56.100 -0.155 0.000 0.747 1571 R CB -2.729 27.504 30.300 -0.112 0.000 1.149 1571 R HN 0.674 nan 8.270 nan 0.000 0.471 1572 I N 1.432 121.794 120.570 -0.346 0.000 3.045 1572 I HA -0.152 4.018 4.170 0.001 0.000 0.306 1572 I C 1.358 177.339 176.117 -0.226 0.000 1.232 1572 I CA 0.785 61.865 61.300 -0.366 0.000 1.415 1572 I CB 0.144 37.742 38.000 -0.670 0.000 1.364 1572 I HN 0.105 nan 8.210 nan 0.000 0.538 1573 S N 6.282 121.936 115.700 -0.077 0.000 2.510 1573 S HA 0.213 4.683 4.470 0.001 0.000 0.279 1573 S C 0.553 175.207 174.600 0.091 0.000 1.284 1573 S CA -0.807 57.408 58.200 0.024 0.000 1.059 1573 S CB 0.682 63.905 63.200 0.039 0.000 0.901 1573 S HN 0.508 nan 8.310 nan 0.000 0.491 1574 V N 2.111 122.123 119.914 0.164 0.000 2.940 1574 V HA 0.767 4.888 4.120 0.001 0.000 0.366 1574 V C 0.533 176.781 176.094 0.256 0.000 1.353 1574 V CA 0.108 62.549 62.300 0.235 0.000 1.232 1574 V CB -0.633 31.354 31.823 0.275 0.000 1.278 1574 V HN 1.187 nan 8.190 nan 0.000 0.546 1575 G N 0.377 109.300 108.800 0.204 0.000 2.397 1575 G HA2 0.112 4.073 3.960 0.001 0.000 0.453 1575 G HA3 0.112 4.073 3.960 0.001 0.000 0.453 1575 G C -1.058 173.903 174.900 0.102 0.000 1.579 1575 G CA -1.134 44.084 45.100 0.197 0.000 0.906 1575 G HN 0.327 nan 8.290 nan 0.000 0.675 1576 K N 0.912 121.338 120.400 0.042 0.000 2.276 1576 K HA 0.642 4.962 4.320 0.001 0.000 0.283 1576 K C 0.899 177.383 176.600 -0.194 0.000 1.044 1576 K CA 0.211 56.467 56.287 -0.051 0.000 0.944 1576 K CB 1.612 34.100 32.500 -0.020 0.000 1.012 1576 K HN 1.011 nan 8.250 nan 0.000 0.472 1577 A N 3.224 125.831 122.820 -0.355 0.000 2.498 1577 A HA 0.128 4.448 4.320 0.001 0.000 0.239 1577 A C -0.066 177.326 177.584 -0.320 0.000 1.068 1577 A CA -0.073 51.568 52.037 -0.660 0.000 0.766 1577 A CB -0.276 18.443 19.000 -0.469 0.000 1.003 1577 A HN 0.968 nan 8.150 nan 0.000 0.497 1578 N N -0.835 117.717 118.700 -0.246 0.000 2.708 1578 N HA 0.565 5.305 4.740 0.001 0.000 0.257 1578 N C -1.054 174.529 175.510 0.122 0.000 1.373 1578 N CA -0.866 52.186 53.050 0.004 0.000 0.843 1578 N CB 1.121 39.652 38.487 0.075 0.000 1.503 1578 N HN 0.294 nan 8.380 nan 0.000 0.504 1579 K N -0.909 119.554 120.400 0.106 0.000 2.726 1579 K HA 0.373 4.693 4.320 0.001 0.000 0.209 1579 K C 0.453 177.121 176.600 0.112 0.000 1.082 1579 K CA -0.334 56.027 56.287 0.123 0.000 1.081 1579 K CB 0.475 33.022 32.500 0.079 0.000 0.830 1579 K HN 0.515 nan 8.250 nan 0.000 0.470 1580 R N 1.052 121.630 120.500 0.130 0.000 2.319 1580 R HA 0.158 4.499 4.340 0.001 0.000 0.204 1580 R C -0.154 176.210 176.300 0.106 0.000 0.954 1580 R CA -0.312 55.852 56.100 0.105 0.000 1.066 1580 R CB -0.244 30.118 30.300 0.103 0.000 0.991 1580 R HN 0.334 nan 8.270 nan 0.000 0.486 1581 L N 2.444 123.737 121.223 0.117 0.000 3.897 1581 L HA -0.235 4.106 4.340 0.001 0.000 0.455 1581 L C -0.770 176.158 176.870 0.098 0.000 0.962 1581 L CA 1.271 56.172 54.840 0.100 0.000 0.710 1581 L CB 0.036 42.125 42.059 0.050 0.000 1.129 1581 L HN 0.075 nan 8.230 nan 0.000 0.849 1582 R N 4.487 125.051 120.500 0.105 0.000 2.540 1582 R HA 0.453 4.794 4.340 0.001 0.000 0.287 1582 R C -1.082 175.292 176.300 0.124 0.000 0.980 1582 R CA -0.486 55.681 56.100 0.110 0.000 0.966 1582 R CB 0.828 31.180 30.300 0.088 0.000 1.106 1582 R HN 0.530 nan 8.270 nan 0.000 0.480 1583 Y N 1.744 122.053 120.300 0.015 0.000 2.335 1583 Y HA 0.508 5.059 4.550 0.000 0.000 0.339 1583 Y C -0.755 175.148 175.900 0.006 0.000 0.987 1583 Y CA -0.651 57.441 58.100 -0.013 0.000 1.140 1583 Y CB 1.247 39.716 38.460 0.016 0.000 1.173 1583 Y HN 0.338 nan 8.280 nan 0.000 0.486 1584 V N 6.621 126.250 119.914 -0.475 0.000 2.595 1584 V HA 0.321 4.441 4.120 0.001 0.000 0.269 1584 V C -1.318 174.533 176.094 -0.404 0.000 0.982 1584 V CA -0.564 61.546 62.300 -0.316 0.000 0.873 1584 V CB 0.419 32.176 31.823 -0.111 0.000 1.051 1584 V HN 0.988 nan 8.190 nan 0.000 0.466 1585 D N 5.390 125.517 120.400 -0.454 0.000 2.848 1585 D HA -0.200 4.440 4.640 0.001 0.000 0.245 1585 D C 0.774 176.903 176.300 -0.284 0.000 1.122 1585 D CA 1.287 55.131 54.000 -0.260 0.000 0.769 1585 D CB -0.620 40.118 40.800 -0.103 0.000 1.025 1585 D HN 1.063 nan 8.370 nan 0.000 0.423 1586 Q N -3.404 116.141 119.800 -0.424 0.000 2.406 1586 Q HA -0.259 4.082 4.340 0.001 0.000 0.236 1586 Q C -0.347 175.498 176.000 -0.258 0.000 0.799 1586 Q CA 1.221 56.896 55.803 -0.213 0.000 1.286 1586 Q CB -0.911 27.815 28.738 -0.019 0.000 1.615 1586 Q HN 0.420 nan 8.270 nan 0.000 0.621 1587 V N 1.491 121.178 119.914 -0.380 0.000 2.444 1587 V HA 0.427 4.548 4.120 0.001 0.000 0.294 1587 V C 0.195 176.129 176.094 -0.267 0.000 1.022 1587 V CA -0.636 61.516 62.300 -0.247 0.000 0.850 1587 V CB 1.654 33.380 31.823 -0.161 0.000 0.992 1587 V HN 0.141 nan 8.190 nan 0.000 0.426 1588 L N 4.218 125.361 121.223 -0.134 0.000 2.399 1588 L HA 0.665 5.006 4.340 0.001 0.000 0.266 1588 L C -0.044 176.935 176.870 0.181 0.000 1.114 1588 L CA -0.143 54.686 54.840 -0.017 0.000 0.804 1588 L CB 0.893 42.903 42.059 -0.081 0.000 1.146 1588 L HN 0.639 nan 8.230 nan 0.000 0.451 1589 Q N 2.422 122.331 119.800 0.182 0.000 2.352 1589 Q HA 0.539 4.879 4.340 0.001 0.000 0.270 1589 Q C -2.052 174.046 176.000 0.163 0.000 1.006 1589 Q CA -0.603 55.297 55.803 0.162 0.000 0.880 1589 Q CB 2.590 31.361 28.738 0.055 0.000 1.392 1589 Q HN 0.570 nan 8.270 nan 0.000 0.401 1590 L N 2.422 123.724 121.223 0.132 0.000 2.346 1590 L HA 0.667 5.008 4.340 0.001 0.000 0.274 1590 L C -0.741 176.120 176.870 -0.015 0.000 1.007 1590 L CA -1.000 53.889 54.840 0.083 0.000 0.818 1590 L CB 2.251 44.339 42.059 0.048 0.000 1.284 1590 L HN 0.360 nan 8.230 nan 0.000 0.424 1591 V N 2.347 122.308 119.914 0.079 0.000 2.305 1591 V HA 0.310 4.430 4.120 0.001 0.000 0.275 1591 V C -0.713 175.526 176.094 0.242 0.000 1.020 1591 V CA -0.721 61.623 62.300 0.074 0.000 0.811 1591 V CB 0.340 32.197 31.823 0.056 0.000 1.031 1591 V HN 0.367 nan 8.190 nan 0.000 0.439 1592 Y N 4.077 124.421 120.300 0.074 0.000 2.359 1592 Y HA 0.589 5.139 4.550 0.001 0.000 0.330 1592 Y C 0.497 176.436 175.900 0.065 0.000 1.143 1592 Y CA -1.458 56.690 58.100 0.079 0.000 1.318 1592 Y CB 0.954 39.475 38.460 0.102 0.000 1.234 1592 Y HN 0.645 nan 8.280 nan 0.000 0.522 1593 K N 0.913 121.439 120.400 0.209 0.000 2.435 1593 K HA 0.500 4.820 4.320 0.001 0.000 0.251 1593 K C -1.248 175.411 176.600 0.098 0.000 0.954 1593 K CA -0.989 55.373 56.287 0.126 0.000 0.820 1593 K CB 1.434 33.991 32.500 0.094 0.000 1.292 1593 K HN 0.440 nan 8.250 nan 0.000 0.436 1594 D N 0.602 121.053 120.400 0.085 0.000 3.515 1594 D HA -0.105 4.536 4.640 0.001 0.000 0.247 1594 D C 0.003 176.357 176.300 0.090 0.000 1.084 1594 D CA 1.382 55.425 54.000 0.072 0.000 1.030 1594 D CB -0.813 40.016 40.800 0.048 0.000 0.946 1594 D HN 0.840 nan 8.370 nan 0.000 0.420 1595 G N -0.032 108.846 108.800 0.130 0.000 2.782 1595 G HA2 0.532 4.492 3.960 0.001 0.000 0.201 1595 G HA3 0.532 4.492 3.960 0.001 0.000 0.201 1595 G C 0.291 175.282 174.900 0.151 0.000 1.374 1595 G CA -0.251 44.944 45.100 0.158 0.000 1.039 1595 G HN 0.264 nan 8.290 nan 0.000 0.576 1596 S N 1.118 116.938 115.700 0.200 0.000 2.572 1596 S HA 0.293 4.764 4.470 0.001 0.000 0.267 1596 S C -1.946 172.754 174.600 0.167 0.000 1.361 1596 S CA -0.515 57.792 58.200 0.178 0.000 1.009 1596 S CB 0.793 64.105 63.200 0.186 0.000 0.888 1596 S HN 0.270 nan 8.310 nan 0.000 0.553 1597 P HA 0.185 nan 4.420 nan 0.000 0.271 1597 P C -1.012 176.271 177.300 -0.029 0.000 1.233 1597 P CA -0.339 62.775 63.100 0.024 0.000 0.789 1597 P CB 0.309 32.021 31.700 0.019 0.000 0.951 1598 c N 2.256 120.795 118.600 -0.102 0.000 2.355 1598 c HA 0.334 4.905 4.570 0.001 0.000 0.332 1598 c C -0.956 173.082 174.090 -0.086 0.000 1.255 1598 c CA -0.784 55.438 56.329 -0.179 0.000 1.792 1598 c CB 0.826 43.198 42.510 -0.231 0.000 2.300 1598 c HN 0.581 nan 8.230 nan 0.000 0.515 1599 P HA -0.063 nan 4.420 nan 0.000 0.222 1599 P C 1.445 178.723 177.300 -0.037 0.000 1.153 1599 P CA 0.938 64.021 63.100 -0.028 0.000 0.798 1599 P CB 0.221 31.920 31.700 -0.001 0.000 0.796 1600 S N -0.394 115.270 115.700 -0.059 0.000 2.359 1600 S HA -0.038 4.433 4.470 0.001 0.000 0.186 1600 S C 0.956 175.530 174.600 -0.044 0.000 1.163 1600 S CA 0.346 58.516 58.200 -0.049 0.000 1.479 1600 S CB -0.722 62.441 63.200 -0.061 0.000 0.880 1600 S HN -0.104 nan 8.310 nan 0.000 0.395 1601 K N 1.722 122.091 120.400 -0.052 0.000 2.349 1601 K HA 0.161 4.482 4.320 0.001 0.000 0.288 1601 K C 1.184 177.757 176.600 -0.045 0.000 1.058 1601 K CA 0.148 56.410 56.287 -0.042 0.000 0.953 1601 K CB 0.746 33.221 32.500 -0.042 0.000 0.997 1601 K HN 0.402 nan 8.250 nan 0.000 0.477 1602 S N 3.179 118.860 115.700 -0.031 0.000 2.531 1602 S HA -0.161 4.310 4.470 0.001 0.000 0.235 1602 S C 1.018 175.601 174.600 -0.029 0.000 1.061 1602 S CA 1.686 59.870 58.200 -0.026 0.000 1.250 1602 S CB -0.625 62.565 63.200 -0.017 0.000 1.183 1602 S HN 0.862 nan 8.310 nan 0.000 0.413 1603 G N 1.960 110.747 108.800 -0.022 0.000 2.734 1603 G HA2 0.447 4.407 3.960 0.001 0.000 0.287 1603 G HA3 0.447 4.407 3.960 0.001 0.000 0.287 1603 G C -0.727 174.157 174.900 -0.026 0.000 0.728 1603 G CA 0.030 45.118 45.100 -0.019 0.000 1.999 1603 G HN 0.462 nan 8.290 nan 0.000 0.535 1604 L N 0.580 121.780 121.223 -0.038 0.000 2.568 1604 L HA 0.597 4.937 4.340 0.001 0.000 0.257 1604 L C -0.523 176.311 176.870 -0.061 0.000 1.024 1604 L CA -0.791 54.017 54.840 -0.054 0.000 0.854 1604 L CB 2.511 44.521 42.059 -0.082 0.000 1.460 1604 L HN 0.334 nan 8.230 nan 0.000 0.409 1605 S N -0.361 115.305 115.700 -0.057 0.000 2.541 1605 S HA 0.514 4.985 4.470 0.001 0.000 0.280 1605 S C -1.226 173.361 174.600 -0.022 0.000 1.112 1605 S CA -0.486 57.704 58.200 -0.017 0.000 0.925 1605 S CB 1.545 64.766 63.200 0.034 0.000 1.067 1605 S HN 0.336 nan 8.310 nan 0.000 0.479 1606 Y N 3.069 123.388 120.300 0.032 0.000 2.620 1606 Y HA 0.199 4.749 4.550 0.001 0.000 0.330 1606 Y C 0.958 176.883 175.900 0.043 0.000 1.186 1606 Y CA 0.685 58.809 58.100 0.042 0.000 1.467 1606 Y CB 0.512 39.024 38.460 0.087 0.000 1.262 1606 Y HN 0.513 nan 8.280 nan 0.000 0.550 1607 K N 0.556 121.067 120.400 0.186 0.000 2.512 1607 K HA 0.766 5.087 4.320 0.001 0.000 0.263 1607 K C -1.544 175.074 176.600 0.030 0.000 0.966 1607 K CA -0.990 55.362 56.287 0.108 0.000 0.851 1607 K CB 1.984 34.508 32.500 0.040 0.000 1.395 1607 K HN 0.391 nan 8.250 nan 0.000 0.440 1608 S N 0.878 116.617 115.700 0.064 0.000 2.500 1608 S HA 0.423 4.893 4.470 0.001 0.000 0.301 1608 S C -0.960 173.584 174.600 -0.093 0.000 1.092 1608 S CA -0.807 57.410 58.200 0.027 0.000 1.030 1608 S CB 1.691 65.093 63.200 0.336 0.000 1.031 1608 S HN 0.396 nan 8.310 nan 0.000 0.483 1609 V N 4.215 123.986 119.914 -0.238 0.000 2.304 1609 V HA 0.404 4.524 4.120 0.001 0.000 0.278 1609 V C -0.458 175.591 176.094 -0.076 0.000 1.018 1609 V CA -0.454 61.735 62.300 -0.185 0.000 0.814 1609 V CB 0.399 32.061 31.823 -0.268 0.000 1.021 1609 V HN 0.793 nan 8.190 nan 0.000 0.440 1610 I N 3.785 124.290 120.570 -0.109 0.000 2.301 1610 I HA 0.296 4.466 4.170 0.001 0.000 0.292 1610 I C 0.282 176.227 176.117 -0.286 0.000 1.046 1610 I CA 0.426 61.612 61.300 -0.190 0.000 1.282 1610 I CB 1.128 38.925 38.000 -0.339 0.000 1.409 1610 I HN 0.517 nan 8.210 nan 0.000 0.484 1611 S N 6.909 122.442 115.700 -0.279 0.000 2.601 1611 S HA 0.455 4.926 4.470 0.001 0.000 0.312 1611 S C -0.402 174.030 174.600 -0.280 0.000 1.107 1611 S CA -0.569 57.513 58.200 -0.197 0.000 1.129 1611 S CB 0.141 63.293 63.200 -0.079 0.000 0.982 1611 S HN 0.260 nan 8.310 nan 0.000 0.469 1612 F N 2.425 122.329 119.950 -0.077 0.000 2.462 1612 F HA 0.292 4.819 4.527 0.001 0.000 0.360 1612 F C 0.383 176.075 175.800 -0.180 0.000 1.134 1612 F CA -0.586 57.344 58.000 -0.118 0.000 1.148 1612 F CB 0.203 39.098 39.000 -0.175 0.000 1.147 1612 F HN 0.194 nan 8.300 nan 0.000 0.550 1613 V N 2.917 122.761 119.914 -0.117 0.000 2.547 1613 V HA 0.205 4.325 4.120 0.001 0.000 0.299 1613 V C 0.027 176.061 176.094 -0.100 0.000 1.040 1613 V CA -1.340 60.821 62.300 -0.232 0.000 0.913 1613 V CB 1.703 33.154 31.823 -0.619 0.000 0.992 1613 V HN 0.887 nan 8.190 nan 0.000 0.449 1614 c N 5.907 124.500 118.600 -0.012 0.000 2.651 1614 c HA 0.483 5.054 4.570 0.001 0.000 0.410 1614 c C 0.551 174.731 174.090 0.151 0.000 1.372 1614 c CA -0.115 56.257 56.329 0.072 0.000 1.707 1614 c CB -1.026 41.529 42.510 0.075 0.000 2.501 1614 c HN 0.996 nan 8.230 nan 0.000 0.598 1615 R N 6.457 127.056 120.500 0.164 0.000 2.545 1615 R HA 0.314 4.655 4.340 0.001 0.000 0.289 1615 R C -2.103 174.275 176.300 0.130 0.000 1.327 1615 R CA -1.248 54.961 56.100 0.182 0.000 1.040 1615 R CB 1.187 31.631 30.300 0.239 0.000 1.176 1615 R HN 0.472 nan 8.270 nan 0.000 0.518 1616 P HA -0.174 nan 4.420 nan 0.000 0.217 1616 P C -0.089 177.257 177.300 0.076 0.000 1.148 1616 P CA 1.052 64.203 63.100 0.084 0.000 0.828 1616 P CB 0.251 31.994 31.700 0.072 0.000 0.783 1617 E N -1.152 119.095 120.200 0.078 0.000 2.410 1617 E HA 0.125 4.475 4.350 0.001 0.000 0.255 1617 E C 1.509 178.153 176.600 0.073 0.000 1.194 1617 E CA 0.206 56.646 56.400 0.067 0.000 0.955 1617 E CB 0.322 30.059 29.700 0.061 0.000 0.988 1617 E HN -0.093 nan 8.360 nan 0.000 0.461 1618 A N 1.754 124.611 122.820 0.062 0.000 1.837 1618 A HA -0.007 4.314 4.320 0.001 0.000 0.216 1618 A C 0.966 178.596 177.584 0.077 0.000 1.210 1618 A CA 1.899 53.975 52.037 0.065 0.000 0.632 1618 A CB -1.226 17.805 19.000 0.052 0.000 0.843 1618 A HN 0.944 nan 8.150 nan 0.000 0.448 1619 G N -1.926 106.912 108.800 0.063 0.000 3.137 1619 G HA2 0.011 3.971 3.960 0.001 0.000 0.686 1619 G HA3 0.011 3.971 3.960 0.001 0.000 0.686 1619 G C -1.185 173.750 174.900 0.059 0.000 0.988 1619 G CA -0.107 45.031 45.100 0.062 0.000 0.789 1619 G HN 0.331 nan 8.290 nan 0.000 0.544 1620 P HA -0.024 nan 4.420 nan 0.000 0.218 1620 P C 2.062 179.380 177.300 0.030 0.000 1.149 1620 P CA 1.767 64.885 63.100 0.031 0.000 0.817 1620 P CB 0.183 31.892 31.700 0.015 0.000 0.785 1621 T N -0.824 113.744 114.554 0.024 0.000 2.590 1621 T HA -0.124 4.226 4.350 0.001 0.000 0.257 1621 T C 0.826 175.539 174.700 0.023 0.000 1.080 1621 T CA 1.452 63.552 62.100 0.000 0.000 1.180 1621 T CB -1.258 67.594 68.868 -0.027 0.000 0.865 1621 T HN 0.142 nan 8.240 nan 0.000 0.403 1622 N N 1.864 120.616 118.700 0.088 0.000 2.667 1622 N HA -0.185 4.556 4.740 0.001 0.000 0.263 1622 N C -0.312 175.234 175.510 0.059 0.000 1.038 1622 N CA 0.595 53.772 53.050 0.213 0.000 0.749 1622 N CB -0.755 37.866 38.487 0.223 0.000 0.892 1622 N HN 0.688 nan 8.380 nan 0.000 0.546 1623 R N -1.257 119.015 120.500 -0.380 0.000 2.728 1623 R HA 0.560 4.900 4.340 0.001 0.000 0.274 1623 R C -3.216 172.195 176.300 -1.481 0.000 1.032 1623 R CA -1.388 54.073 56.100 -1.066 0.000 0.866 1623 R CB 0.801 30.800 30.300 -0.501 0.000 1.263 1623 R HN -0.014 nan 8.270 nan 0.000 0.475 1627 I N 0.815 121.341 120.570 -0.074 0.000 2.494 1627 I HA 0.390 4.561 4.170 0.001 0.000 0.250 1627 I C 0.847 176.901 176.117 -0.105 0.000 1.112 1627 I CA 0.730 61.977 61.300 -0.087 0.000 1.438 1627 I CB 0.061 38.014 38.000 -0.078 0.000 1.111 1627 I HN 0.531 nan 8.210 nan 0.000 0.431 1628 S N 0.348 115.993 115.700 -0.092 0.000 2.565 1628 S HA 0.613 5.083 4.470 0.001 0.000 0.269 1628 S C -1.829 172.769 174.600 -0.004 0.000 1.153 1628 S CA -0.803 57.362 58.200 -0.058 0.000 0.835 1628 S CB 1.791 64.931 63.200 -0.100 0.000 1.122 1628 S HN 0.279 nan 8.310 nan 0.000 0.462 1629 L N 3.134 124.357 121.223 -0.001 0.000 2.343 1629 L HA 0.618 4.959 4.340 0.001 0.000 0.278 1629 L C -0.881 176.032 176.870 0.071 0.000 0.996 1629 L CA -0.205 54.651 54.840 0.027 0.000 0.831 1629 L CB 1.610 43.657 42.059 -0.021 0.000 1.232 1629 L HN 0.730 nan 8.230 nan 0.000 0.413 1630 D N 3.512 124.000 120.400 0.147 0.000 2.383 1630 D HA 0.025 4.666 4.640 0.001 0.000 0.245 1630 D C 0.879 177.202 176.300 0.038 0.000 1.263 1630 D CA 0.112 54.180 54.000 0.113 0.000 0.936 1630 D CB 1.245 42.173 40.800 0.214 0.000 1.053 1630 D HN 0.656 nan 8.370 nan 0.000 0.507 1631 K N 2.487 122.896 120.400 0.016 0.000 2.002 1631 K HA -0.182 4.139 4.320 0.001 0.000 0.209 1631 K C 2.062 178.636 176.600 -0.044 0.000 1.048 1631 K CA 1.477 57.761 56.287 -0.005 0.000 0.930 1631 K CB 0.156 32.656 32.500 -0.000 0.000 0.714 1631 K HN 0.434 nan 8.250 nan 0.000 0.438 1632 Q N -0.680 119.102 119.800 -0.031 0.000 2.297 1632 Q HA -0.064 4.276 4.340 0.001 0.000 0.204 1632 Q C 1.331 177.298 176.000 -0.055 0.000 0.962 1632 Q CA 1.687 57.465 55.803 -0.042 0.000 0.879 1632 Q CB -0.278 28.445 28.738 -0.025 0.000 0.947 1632 Q HN 0.456 nan 8.270 nan 0.000 0.462 1633 T N -3.435 111.092 114.554 -0.045 0.000 3.054 1633 T HA 0.212 4.562 4.350 0.001 0.000 0.255 1633 T C 0.644 175.290 174.700 -0.091 0.000 1.035 1633 T CA 0.123 62.192 62.100 -0.051 0.000 0.941 1633 T CB -0.547 68.315 68.868 -0.010 0.000 1.026 1633 T HN 0.325 nan 8.240 nan 0.000 0.533 1634 c N 2.201 120.722 118.600 -0.133 0.000 4.235 1634 c HA -0.125 4.445 4.570 0.001 0.000 0.301 1634 c C 0.546 174.596 174.090 -0.067 0.000 1.409 1634 c CA 0.625 56.824 56.329 -0.216 0.000 2.024 1634 c CB -3.305 38.897 42.510 -0.513 0.000 1.286 1634 c HN 0.743 nan 8.230 nan 0.000 0.746 1635 T N 1.541 116.053 114.554 -0.070 0.000 2.758 1635 T HA 0.577 4.927 4.350 0.001 0.000 0.285 1635 T C -0.098 174.432 174.700 -0.283 0.000 0.981 1635 T CA -0.510 61.457 62.100 -0.221 0.000 0.965 1635 T CB 1.288 69.937 68.868 -0.365 0.000 0.927 1635 T HN 0.129 nan 8.240 nan 0.000 0.448 1636 L N 3.542 124.553 121.223 -0.353 0.000 2.292 1636 L HA 0.506 4.846 4.340 0.001 0.000 0.284 1636 L C -0.607 175.763 176.870 -0.834 0.000 1.065 1636 L CA -0.272 54.257 54.840 -0.520 0.000 0.806 1636 L CB 0.207 41.934 42.059 -0.554 0.000 1.175 1636 L HN 0.591 nan 8.230 nan 0.000 0.431 1637 F N 3.950 123.551 119.950 -0.581 0.000 2.375 1637 F HA 0.496 5.023 4.527 0.001 0.000 0.361 1637 F C -0.205 175.247 175.800 -0.579 0.000 1.117 1637 F CA -0.374 57.355 58.000 -0.452 0.000 1.037 1637 F CB 0.600 39.447 39.000 -0.255 0.000 1.192 1637 F HN 0.192 nan 8.300 nan 0.000 0.452 1638 F N 1.070 121.010 119.950 -0.016 0.000 2.470 1638 F HA 0.695 5.222 4.527 0.001 0.000 0.329 1638 F C 0.179 175.913 175.800 -0.110 0.000 1.072 1638 F CA -0.850 57.099 58.000 -0.086 0.000 0.989 1638 F CB 1.970 40.879 39.000 -0.152 0.000 1.193 1638 F HN 0.332 nan 8.300 nan 0.000 0.481 1639 S N 0.623 116.371 115.700 0.080 0.000 2.536 1639 S HA 0.482 4.952 4.470 0.001 0.000 0.287 1639 S C -2.004 172.600 174.600 0.007 0.000 1.101 1639 S CA -0.731 57.459 58.200 -0.017 0.000 0.950 1639 S CB 1.927 65.127 63.200 0.001 0.000 1.056 1639 S HN 0.679 nan 8.310 nan 0.000 0.481 1640 W N 3.461 124.596 121.300 -0.275 0.000 2.453 1640 W HA 0.392 5.052 4.660 0.000 0.000 0.310 1640 W C -1.355 175.098 176.519 -0.110 0.000 1.000 1640 W CA -1.166 56.070 57.345 -0.182 0.000 1.367 1640 W CB 0.318 29.606 29.460 -0.286 0.000 1.269 1640 W HN 0.881 nan 8.180 nan 0.000 0.418 1641 H N 3.022 122.291 119.070 0.330 0.000 2.878 1641 H HA 0.353 4.910 4.556 0.000 0.000 0.290 1641 H C 0.444 175.954 175.328 0.303 0.000 1.065 1641 H CA 1.220 57.408 56.048 0.235 0.000 1.477 1641 H CB 1.128 30.969 29.762 0.131 0.000 1.484 1641 H HN 0.115 nan 8.280 nan 0.000 0.504 1642 T N 3.244 117.945 114.554 0.245 0.000 2.923 1642 T HA 0.230 4.580 4.350 0.001 0.000 0.311 1642 T C -2.145 172.611 174.700 0.094 0.000 1.183 1642 T CA -2.150 60.034 62.100 0.139 0.000 1.020 1642 T CB 1.292 70.106 68.868 -0.090 0.000 1.165 1642 T HN 0.245 nan 8.240 nan 0.000 0.482 1643 P HA 0.147 nan 4.420 nan 0.000 0.223 1643 P C 1.553 178.896 177.300 0.072 0.000 1.151 1643 P CA 0.542 63.690 63.100 0.080 0.000 0.787 1643 P CB 0.051 31.795 31.700 0.073 0.000 0.788 1644 L N -1.320 119.915 121.223 0.021 0.000 2.549 1644 L HA -0.047 4.294 4.340 0.001 0.000 0.230 1644 L C 1.635 178.553 176.870 0.079 0.000 1.162 1644 L CA 0.770 55.618 54.840 0.014 0.000 0.834 1644 L CB -0.585 41.401 42.059 -0.122 0.000 0.947 1644 L HN -0.015 nan 8.230 nan 0.000 0.452 1645 A N -1.766 121.091 122.820 0.062 0.000 2.574 1645 A HA 0.245 4.566 4.320 0.001 0.000 0.283 1645 A C 0.283 177.939 177.584 0.121 0.000 1.270 1645 A CA -0.410 51.640 52.037 0.021 0.000 0.945 1645 A CB -0.270 18.704 19.000 -0.043 0.000 1.127 1645 A HN 0.306 nan 8.150 nan 0.000 0.522 1646 c N -1.265 117.464 118.600 0.214 0.000 2.397 1646 c HA 0.614 5.184 4.570 0.001 0.000 0.343 1646 c C 1.338 175.542 174.090 0.189 0.000 1.188 1646 c CA -0.252 56.185 56.329 0.181 0.000 1.992 1646 c CB 1.564 44.142 42.510 0.114 0.000 2.358 1646 c HN 0.807 nan 8.230 nan 0.000 0.518 1647 E N -0.235 120.001 120.200 0.060 0.000 2.941 1647 E HA 0.113 4.463 4.350 0.001 0.000 0.180 1647 E C -0.213 176.321 176.600 -0.111 0.000 1.130 1647 E CA 0.093 56.374 56.400 -0.198 0.000 1.243 1647 E CB 0.251 29.833 29.700 -0.197 0.000 1.582 1647 E HN 0.718 nan 8.360 nan 0.000 0.499 1648 Q N 0.714 120.492 119.800 -0.037 0.000 2.227 1648 Q HA 0.558 4.898 4.340 0.001 0.000 0.245 1648 Q C -0.707 175.302 176.000 0.016 0.000 0.926 1648 Q CA -0.272 55.526 55.803 -0.009 0.000 0.895 1648 Q CB 1.646 30.385 28.738 0.002 0.000 1.230 1648 Q HN 0.316 nan 8.270 nan 0.000 0.450 1649 A N 0.732 123.562 122.820 0.017 0.000 2.346 1649 A HA 0.393 4.713 4.320 0.001 0.000 0.252 1649 A C -0.204 177.397 177.584 0.027 0.000 1.089 1649 A CA -0.500 51.553 52.037 0.025 0.000 0.797 1649 A CB -0.091 18.921 19.000 0.019 0.000 1.047 1649 A HN 0.789 nan 8.150 nan 0.000 0.494 1650 T N 1.248 115.822 114.554 0.034 0.000 2.736 1650 T HA 0.169 4.519 4.350 0.001 0.000 0.275 1650 T C -0.159 174.550 174.700 0.015 0.000 0.962 1650 T CA 0.081 62.201 62.100 0.035 0.000 1.214 1650 T CB -0.623 68.271 68.868 0.043 0.000 0.904 1650 T HN 0.546 nan 8.240 nan 0.000 0.529 1651 E N 2.145 122.351 120.200 0.010 0.000 1.932 1651 E HA 0.254 4.604 4.350 0.001 0.000 0.275 1651 E C -0.040 176.547 176.600 -0.021 0.000 1.159 1651 E CA -0.487 55.908 56.400 -0.009 0.000 0.905 1651 E CB 0.466 30.160 29.700 -0.010 0.000 1.059 1651 E HN 0.733 nan 8.360 nan 0.000 0.400 1652 c N 2.620 121.198 118.600 -0.036 0.000 3.785 1652 c HA 0.123 4.694 4.570 0.001 0.000 0.312 1652 c C 0.332 174.359 174.090 -0.106 0.000 1.566 1652 c CA -0.018 56.273 56.329 -0.062 0.000 1.837 1652 c CB -0.563 41.922 42.510 -0.041 0.000 2.826 1652 c HN 0.726 nan 8.230 nan 0.000 0.667 1653 S N -0.373 115.274 115.700 -0.088 0.000 2.599 1653 S HA 0.846 5.317 4.470 0.001 0.000 0.294 1653 S C -1.131 173.416 174.600 -0.089 0.000 1.094 1653 S CA -0.525 57.615 58.200 -0.101 0.000 0.931 1653 S CB 1.950 65.103 63.200 -0.078 0.000 1.093 1653 S HN 0.244 nan 8.310 nan 0.000 0.488 1654 V N 0.750 120.606 119.914 -0.098 0.000 3.114 1654 V HA 0.642 4.762 4.120 0.001 0.000 0.308 1654 V C -1.013 175.037 176.094 -0.073 0.000 1.168 1654 V CA -1.065 61.187 62.300 -0.080 0.000 1.015 1654 V CB 2.283 34.053 31.823 -0.089 0.000 1.050 1654 V HN 1.051 nan 8.190 nan 0.000 0.433 1655 R N 2.896 123.361 120.500 -0.058 0.000 2.368 1655 R HA 0.495 4.835 4.340 0.001 0.000 0.302 1655 R C -0.845 175.424 176.300 -0.053 0.000 1.002 1655 R CA -0.354 55.716 56.100 -0.051 0.000 0.929 1655 R CB 0.877 31.154 30.300 -0.038 0.000 1.073 1655 R HN 0.744 nan 8.270 nan 0.000 0.464 1656 N N 2.613 121.282 118.700 -0.052 0.000 2.690 1656 N HA 0.243 4.983 4.740 0.001 0.000 0.255 1656 N C -0.065 175.422 175.510 -0.039 0.000 1.195 1656 N CA 0.645 53.665 53.050 -0.050 0.000 0.790 1656 N CB 1.205 39.655 38.487 -0.062 0.000 1.216 1656 N HN 0.863 nan 8.380 nan 0.000 0.528 1657 G N 1.968 110.748 108.800 -0.032 0.000 2.583 1657 G HA2 -0.379 3.581 3.960 0.001 0.000 0.292 1657 G HA3 -0.379 3.581 3.960 0.001 0.000 0.292 1657 G C 1.066 175.951 174.900 -0.025 0.000 1.203 1657 G CA 0.633 45.718 45.100 -0.026 0.000 0.987 1657 G HN 1.154 nan 8.290 nan 0.000 0.554 1658 S N -0.498 115.189 115.700 -0.022 0.000 2.447 1658 S HA 0.301 4.772 4.470 0.001 0.000 0.233 1658 S C 1.460 176.046 174.600 -0.024 0.000 1.006 1658 S CA 1.715 59.903 58.200 -0.020 0.000 0.957 1658 S CB -0.087 63.103 63.200 -0.017 0.000 0.773 1658 S HN 1.058 nan 8.310 nan 0.000 0.507 1659 S N 0.871 116.554 115.700 -0.028 0.000 2.669 1659 S HA 0.634 5.105 4.470 0.001 0.000 0.270 1659 S C -0.403 174.173 174.600 -0.040 0.000 1.225 1659 S CA -0.719 57.461 58.200 -0.033 0.000 0.991 1659 S CB 0.919 64.098 63.200 -0.035 0.000 0.987 1659 S HN 0.517 nan 8.310 nan 0.000 0.552 1660 I N 2.127 122.670 120.570 -0.045 0.000 2.503 1660 I HA 0.369 4.539 4.170 0.001 0.000 0.282 1660 I C -1.043 175.034 176.117 -0.068 0.000 1.059 1660 I CA -0.944 60.324 61.300 -0.054 0.000 1.081 1660 I CB 0.896 38.869 38.000 -0.045 0.000 1.210 1660 I HN 0.398 nan 8.210 nan 0.000 0.450 1661 V N 3.328 123.190 119.914 -0.087 0.000 2.405 1661 V HA 0.406 4.526 4.120 0.001 0.000 0.264 1661 V C -0.080 175.932 176.094 -0.136 0.000 1.048 1661 V CA -0.248 61.984 62.300 -0.113 0.000 0.966 1661 V CB 0.891 32.633 31.823 -0.135 0.000 1.015 1661 V HN 0.647 nan 8.190 nan 0.000 0.477 1662 D N 4.096 124.420 120.400 -0.126 0.000 2.313 1662 D HA 0.371 5.011 4.640 0.001 0.000 0.239 1662 D C 0.657 176.848 176.300 -0.181 0.000 1.142 1662 D CA -0.212 53.710 54.000 -0.129 0.000 0.847 1662 D CB 1.610 42.357 40.800 -0.089 0.000 1.082 1662 D HN 0.606 nan 8.370 nan 0.000 0.480 1663 L N 2.423 123.507 121.223 -0.231 0.000 2.591 1663 L HA 0.019 4.360 4.340 0.001 0.000 0.228 1663 L C 2.073 178.817 176.870 -0.211 0.000 1.133 1663 L CA -0.010 54.634 54.840 -0.326 0.000 0.880 1663 L CB -0.001 41.756 42.059 -0.505 0.000 1.033 1663 L HN 0.287 nan 8.230 nan 0.000 0.450 1664 S N 0.919 116.544 115.700 -0.125 0.000 2.374 1664 S HA -0.119 4.352 4.470 0.001 0.000 0.227 1664 S C -0.526 174.052 174.600 -0.038 0.000 1.037 1664 S CA 1.312 59.477 58.200 -0.059 0.000 1.024 1664 S CB -1.053 62.124 63.200 -0.038 0.000 0.861 1664 S HN 0.320 nan 8.310 nan 0.000 0.456 1665 P HA -0.068 nan 4.420 nan 0.000 0.221 1665 P C 0.887 178.190 177.300 0.005 0.000 1.141 1665 P CA 0.965 64.048 63.100 -0.029 0.000 0.794 1665 P CB -0.126 31.547 31.700 -0.047 0.000 0.764 1666 L N -2.182 119.018 121.223 -0.039 0.000 2.529 1666 L HA 0.125 4.466 4.340 0.001 0.000 0.223 1666 L C 1.024 178.032 176.870 0.230 0.000 1.113 1666 L CA -0.264 54.593 54.840 0.029 0.000 0.861 1666 L CB -0.308 41.526 42.059 -0.374 0.000 1.012 1666 L HN -0.112 nan 8.230 nan 0.000 0.461 1667 I N 1.103 121.760 120.570 0.145 0.000 2.752 1667 I HA -0.124 4.046 4.170 0.001 0.000 0.286 1667 I C 0.665 176.937 176.117 0.258 0.000 1.180 1667 I CA 0.275 61.704 61.300 0.215 0.000 1.404 1667 I CB -0.107 37.967 38.000 0.124 0.000 1.389 1667 I HN 0.115 nan 8.210 nan 0.000 0.549 1668 H N 8.442 127.682 119.070 0.284 0.000 2.878 1668 H HA 0.195 4.752 4.556 0.001 0.000 0.290 1668 H C 0.656 176.011 175.328 0.045 0.000 1.065 1668 H CA 0.270 56.384 56.048 0.110 0.000 1.477 1668 H CB 0.743 30.501 29.762 -0.007 0.000 1.484 1668 H HN 0.574 nan 8.280 nan 0.000 0.504 1669 R N 2.418 122.971 120.500 0.089 0.000 2.237 1669 R HA 0.010 4.351 4.340 0.001 0.000 0.195 1669 R C 0.388 176.742 176.300 0.089 0.000 0.956 1669 R CA 0.726 56.875 56.100 0.081 0.000 1.029 1669 R CB 0.497 30.808 30.300 0.019 0.000 0.972 1669 R HN 0.538 nan 8.270 nan 0.000 0.493 1670 T N -1.850 112.802 114.554 0.164 0.000 3.504 1670 T HA 0.590 4.940 4.350 0.001 0.000 0.286 1670 T C 0.319 175.129 174.700 0.184 0.000 1.530 1670 T CA -0.026 62.137 62.100 0.106 0.000 1.652 1670 T CB 1.222 70.114 68.868 0.040 0.000 0.895 1670 T HN 0.364 nan 8.240 nan 0.000 0.674 1671 G N 0.628 109.448 108.800 0.033 0.000 2.253 1671 G HA2 0.453 4.413 3.960 0.001 0.000 0.190 1671 G HA3 0.453 4.413 3.960 0.001 0.000 0.190 1671 G C -0.200 174.339 174.900 -0.601 0.000 1.274 1671 G CA -0.054 44.903 45.100 -0.239 0.000 1.275 1671 G HN 1.471 nan 8.290 nan 0.000 0.518 1672 G N -1.914 106.276 108.800 -1.017 0.000 2.682 1672 G HA2 0.693 4.653 3.960 0.001 0.000 0.303 1672 G HA3 0.693 4.653 3.960 0.001 0.000 0.303 1672 G C -1.993 172.531 174.900 -0.627 0.000 1.341 1672 G CA -0.581 44.093 45.100 -0.709 0.000 0.784 1672 G HN 0.844 nan 8.290 nan 0.000 0.497 1673 Y N 0.430 120.660 120.300 -0.116 0.000 2.446 1673 Y HA 0.485 5.035 4.550 0.000 0.000 0.338 1673 Y C 1.150 176.988 175.900 -0.103 0.000 1.055 1673 Y CA -0.752 57.323 58.100 -0.041 0.000 1.101 1673 Y CB 1.839 40.260 38.460 -0.065 0.000 1.221 1673 Y HN 0.410 nan 8.280 nan 0.000 0.460 1674 E N 1.002 121.208 120.200 0.009 0.000 4.505 1674 E HA 0.363 4.713 4.350 0.001 0.000 0.553 1674 E C 0.008 176.482 176.600 -0.210 0.000 1.022 1674 E CA 0.509 56.783 56.400 -0.210 0.000 3.619 1674 E CB 0.119 29.730 29.700 -0.147 0.000 2.034 1674 E HN 0.675 nan 8.360 nan 0.000 0.479 1675 A N -1.840 120.872 122.820 -0.180 0.000 2.502 1675 A HA 0.339 4.659 4.320 0.001 0.000 0.253 1675 A C 0.363 177.890 177.584 -0.094 0.000 0.938 1675 A CA 0.111 52.072 52.037 -0.126 0.000 1.086 1675 A CB -1.030 17.961 19.000 -0.014 0.000 1.176 1675 A HN 0.494 nan 8.150 nan 0.000 0.499 1688 P HA 0.288 nan 4.420 nan 0.000 0.276 1688 P C -0.695 176.504 177.300 -0.167 0.000 1.253 1688 P CA 0.367 63.406 63.100 -0.103 0.000 0.766 1688 P CB 1.024 32.652 31.700 -0.119 0.000 0.845 1689 D N 2.555 122.830 120.400 -0.209 0.000 2.339 1689 D HA 0.299 4.940 4.640 0.001 0.000 0.245 1689 D C -0.225 175.823 176.300 -0.421 0.000 1.115 1689 D CA 0.507 54.388 54.000 -0.199 0.000 0.917 1689 D CB 0.458 41.187 40.800 -0.118 0.000 1.192 1689 D HN 0.253 nan 8.370 nan 0.000 0.428 1690 F N 0.595 120.412 119.950 -0.222 0.000 2.547 1690 F HA 0.327 4.854 4.527 0.001 0.000 0.316 1690 F C -0.535 175.039 175.800 -0.377 0.000 1.121 1690 F CA -0.937 56.962 58.000 -0.168 0.000 0.911 1690 F CB 1.334 40.321 39.000 -0.022 0.000 1.179 1690 F HN 0.142 nan 8.300 nan 0.000 0.443 1691 Y N 4.194 124.487 120.300 -0.012 0.000 2.393 1691 Y HA 0.717 5.268 4.550 0.000 0.000 0.341 1691 Y C -0.246 175.568 175.900 -0.144 0.000 0.988 1691 Y CA -1.068 56.987 58.100 -0.075 0.000 1.078 1691 Y CB 2.180 40.581 38.460 -0.099 0.000 1.203 1691 Y HN 0.490 nan 8.280 nan 0.000 0.453 1692 I N 2.893 123.450 120.570 -0.022 0.000 2.802 1692 I HA 0.532 4.703 4.170 0.001 0.000 0.298 1692 I C -1.972 174.166 176.117 0.034 0.000 1.176 1692 I CA -0.589 60.612 61.300 -0.165 0.000 1.025 1692 I CB 2.193 39.906 38.000 -0.477 0.000 1.243 1692 I HN 0.691 nan 8.210 nan 0.000 0.424 1693 N N 6.178 124.880 118.700 0.003 0.000 2.329 1693 N HA 0.556 5.296 4.740 0.001 0.000 0.282 1693 N C -1.528 174.085 175.510 0.171 0.000 1.198 1693 N CA -0.455 52.717 53.050 0.202 0.000 0.790 1693 N CB 2.748 41.343 38.487 0.179 0.000 1.579 1693 N HN 0.716 nan 8.380 nan 0.000 0.475 1694 I N -1.003 119.760 120.570 0.322 0.000 2.562 1694 I HA 0.510 4.680 4.170 0.001 0.000 0.301 1694 I C 0.977 177.280 176.117 0.310 0.000 1.003 1694 I CA -0.463 61.082 61.300 0.408 0.000 1.127 1694 I CB 1.508 39.751 38.000 0.404 0.000 1.304 1694 I HN 0.668 nan 8.210 nan 0.000 0.446 1695 c N 1.220 120.012 118.600 0.320 0.000 5.812 1695 c HA -0.232 4.339 4.570 0.001 0.000 0.320 1695 c C 0.741 174.937 174.090 0.177 0.000 2.365 1695 c CA 1.055 57.493 56.329 0.182 0.000 2.127 1695 c CB -2.886 39.686 42.510 0.104 0.000 3.138 1695 c HN 0.970 nan 8.230 nan 0.000 0.317 1696 Q N 0.165 120.088 119.800 0.206 0.000 2.421 1696 Q HA 0.495 4.836 4.340 0.001 0.000 0.280 1696 Q C -2.435 173.677 176.000 0.187 0.000 1.085 1696 Q CA -1.618 54.293 55.803 0.180 0.000 0.807 1696 Q CB 2.546 31.380 28.738 0.161 0.000 1.405 1696 Q HN 0.195 nan 8.270 nan 0.000 0.419 1697 P HA -0.086 nan 4.420 nan 0.000 0.270 1697 P C -0.608 176.774 177.300 0.138 0.000 1.221 1697 P CA 0.190 63.384 63.100 0.158 0.000 0.788 1697 P CB 0.554 32.365 31.700 0.185 0.000 0.904 1698 L N 1.815 123.091 121.223 0.088 0.000 2.453 1698 L HA 0.080 4.421 4.340 0.001 0.000 0.272 1698 L C 1.354 178.226 176.870 0.004 0.000 1.182 1698 L CA 0.083 54.937 54.840 0.023 0.000 0.858 1698 L CB -0.308 41.736 42.059 -0.026 0.000 1.120 1698 L HN 0.310 nan 8.230 nan 0.000 0.474 1699 N N 3.627 122.246 118.700 -0.136 0.000 2.483 1699 N HA 0.352 5.092 4.740 0.001 0.000 0.269 1699 N C -2.178 173.208 175.510 -0.206 0.000 1.209 1699 N CA -1.020 51.827 53.050 -0.340 0.000 0.969 1699 N CB 0.265 38.577 38.487 -0.292 0.000 1.173 1699 N HN 0.380 nan 8.380 nan 0.000 0.475 1703 A N 2.769 125.605 122.820 0.027 0.000 2.715 1703 A HA -0.167 4.153 4.320 0.001 0.000 0.301 1703 A C -0.420 177.110 177.584 -0.091 0.000 1.515 1703 A CA 1.263 53.291 52.037 -0.016 0.000 0.816 1703 A CB -1.676 17.347 19.000 0.039 0.000 1.004 1703 A HN 0.323 nan 8.150 nan 0.000 0.483 1704 V N 0.773 120.588 119.914 -0.165 0.000 2.320 1704 V HA 0.319 4.439 4.120 0.001 0.000 0.268 1704 V C -2.206 173.730 176.094 -0.263 0.000 1.021 1704 V CA -0.601 61.529 62.300 -0.282 0.000 0.813 1704 V CB 1.564 33.068 31.823 -0.532 0.000 1.054 1704 V HN 0.388 nan 8.190 nan 0.000 0.444 1705 P HA 0.222 nan 4.420 nan 0.000 0.226 1705 P C 0.070 177.231 177.300 -0.231 0.000 1.783 1705 P CA -0.208 62.764 63.100 -0.212 0.000 0.980 1705 P CB -0.334 31.245 31.700 -0.203 0.000 1.967 1706 c N 2.653 121.113 118.600 -0.233 0.000 2.637 1706 c HA 0.195 4.765 4.570 0.001 0.000 0.418 1706 c C -1.496 172.490 174.090 -0.173 0.000 1.319 1706 c CA -0.885 55.322 56.329 -0.203 0.000 1.949 1706 c CB -0.595 41.795 42.510 -0.200 0.000 2.639 1706 c HN 0.390 nan 8.230 nan 0.000 0.594 1707 P HA 0.123 nan 4.420 nan 0.000 0.266 1707 P C -0.611 176.630 177.300 -0.098 0.000 1.186 1707 P CA 0.373 63.382 63.100 -0.152 0.000 0.767 1707 P CB 0.385 32.012 31.700 -0.121 0.000 0.820 1708 A N 2.415 125.182 122.820 -0.088 0.000 2.404 1708 A HA 0.493 4.814 4.320 0.001 0.000 0.273 1708 A C 1.416 178.966 177.584 -0.056 0.000 1.144 1708 A CA 0.686 52.685 52.037 -0.063 0.000 0.806 1708 A CB -1.048 17.911 19.000 -0.068 0.000 1.080 1708 A HN 0.831 nan 8.150 nan 0.000 0.509 1709 G N 1.398 110.179 108.800 -0.032 0.000 2.307 1709 G HA2 0.164 4.124 3.960 0.001 0.000 0.210 1709 G HA3 0.164 4.124 3.960 0.001 0.000 0.210 1709 G C 0.685 175.599 174.900 0.024 0.000 1.005 1709 G CA 0.086 45.178 45.100 -0.014 0.000 0.634 1709 G HN 2.136 nan 8.290 nan 0.000 0.496 1710 A N 0.728 123.552 122.820 0.007 0.000 2.546 1710 A HA 0.713 5.034 4.320 0.001 0.000 0.243 1710 A C 1.562 179.153 177.584 0.011 0.000 1.063 1710 A CA 1.268 53.307 52.037 0.004 0.000 0.757 1710 A CB 0.663 19.642 19.000 -0.036 0.000 0.991 1710 A HN 1.826 nan 8.150 nan 0.000 0.503 1711 A N 2.537 125.363 122.820 0.010 0.000 1.997 1711 A HA 0.439 4.760 4.320 0.001 0.000 0.212 1711 A C 0.543 177.988 177.584 -0.232 0.000 1.178 1711 A CA 0.954 52.966 52.037 -0.041 0.000 0.698 1711 A CB 0.133 19.184 19.000 0.086 0.000 0.842 1711 A HN 0.966 nan 8.150 nan 0.000 0.458 1712 V N -0.227 119.533 119.914 -0.256 0.000 2.483 1712 V HA 0.411 4.531 4.120 0.001 0.000 0.297 1712 V C -0.914 175.073 176.094 -0.179 0.000 1.027 1712 V CA -0.864 61.248 62.300 -0.313 0.000 0.855 1712 V CB 0.840 32.394 31.823 -0.447 0.000 0.995 1712 V HN 0.356 nan 8.190 nan 0.000 0.424 1713 c N 6.199 124.725 118.600 -0.124 0.000 2.346 1713 c HA 0.594 5.165 4.570 0.001 0.000 0.326 1713 c C -0.104 173.921 174.090 -0.108 0.000 1.224 1713 c CA -0.897 55.367 56.329 -0.108 0.000 1.408 1713 c CB 0.550 43.011 42.510 -0.082 0.000 2.089 1713 c HN 1.014 nan 8.230 nan 0.000 0.456 1714 K N 4.556 124.806 120.400 -0.250 0.000 2.249 1714 K HA 0.628 4.948 4.320 0.001 0.000 0.280 1714 K C -1.008 175.392 176.600 -0.335 0.000 1.033 1714 K CA -0.280 55.724 56.287 -0.470 0.000 0.946 1714 K CB 0.920 33.084 32.500 -0.560 0.000 1.005 1714 K HN 0.649 nan 8.250 nan 0.000 0.469 1715 V N 7.064 126.770 119.914 -0.347 0.000 2.380 1715 V HA 0.331 4.452 4.120 0.001 0.000 0.286 1715 V C -2.271 173.698 176.094 -0.209 0.000 1.015 1715 V CA -1.714 60.471 62.300 -0.193 0.000 0.834 1715 V CB 0.987 32.787 31.823 -0.039 0.000 1.009 1715 V HN 0.850 nan 8.190 nan 0.000 0.428 1716 P HA 0.566 nan 4.420 nan 0.000 0.283 1716 P C -0.591 176.660 177.300 -0.083 0.000 1.278 1716 P CA -0.820 62.204 63.100 -0.126 0.000 0.834 1716 P CB 1.431 33.068 31.700 -0.105 0.000 1.150 1717 I N 0.557 121.091 120.570 -0.060 0.000 2.371 1717 I HA 0.106 4.277 4.170 0.001 0.000 0.290 1717 I C 0.422 176.516 176.117 -0.038 0.000 1.028 1717 I CA 0.093 61.367 61.300 -0.044 0.000 1.345 1717 I CB -0.229 37.752 38.000 -0.032 0.000 1.407 1717 I HN 0.368 nan 8.210 nan 0.000 0.501 1718 D N 3.807 124.184 120.400 -0.037 0.000 3.018 1718 D HA -0.156 4.485 4.640 0.001 0.000 0.224 1718 D C 0.251 176.530 176.300 -0.034 0.000 1.185 1718 D CA 1.548 55.528 54.000 -0.033 0.000 0.858 1718 D CB -0.723 40.062 40.800 -0.024 0.000 1.112 1718 D HN 0.853 nan 8.370 nan 0.000 0.415 1719 G N -0.338 108.435 108.800 -0.044 0.000 2.448 1719 G HA2 0.646 4.607 3.960 0.001 0.000 0.324 1719 G HA3 0.646 4.607 3.960 0.001 0.000 0.324 1719 G C -2.626 172.234 174.900 -0.066 0.000 1.203 1719 G CA -1.140 43.932 45.100 -0.046 0.000 0.954 1719 G HN -0.074 nan 8.290 nan 0.000 0.480 1720 P HA 0.248 nan 4.420 nan 0.000 0.272 1720 P C -2.718 174.514 177.300 -0.114 0.000 1.230 1720 P CA -1.252 61.791 63.100 -0.095 0.000 0.788 1720 P CB 0.420 32.065 31.700 -0.093 0.000 0.949 1721 P HA 0.098 nan 4.420 nan 0.000 0.264 1721 P C -0.286 176.926 177.300 -0.147 0.000 1.193 1721 P CA 0.632 63.639 63.100 -0.154 0.000 0.763 1721 P CB 0.118 31.714 31.700 -0.174 0.000 0.810 1722 I N 2.536 123.009 120.570 -0.161 0.000 2.412 1722 I HA 0.217 4.387 4.170 0.001 0.000 0.296 1722 I C 0.510 176.537 176.117 -0.150 0.000 0.987 1722 I CA -0.829 60.382 61.300 -0.148 0.000 1.180 1722 I CB 1.257 39.129 38.000 -0.213 0.000 1.340 1722 I HN 0.286 nan 8.210 nan 0.000 0.455 1723 D N 6.705 127.056 120.400 -0.081 0.000 2.339 1723 D HA 0.199 4.840 4.640 0.001 0.000 0.256 1723 D C 0.473 176.752 176.300 -0.034 0.000 1.214 1723 D CA -0.147 53.821 54.000 -0.053 0.000 0.877 1723 D CB 0.600 41.398 40.800 -0.003 0.000 1.111 1723 D HN 0.506 nan 8.370 nan 0.000 0.478 1724 I N 1.461 121.963 120.570 -0.113 0.000 3.654 1724 I HA 0.627 4.797 4.170 0.001 0.000 0.337 1724 I C 0.342 176.470 176.117 0.018 0.000 1.568 1724 I CA -0.592 60.641 61.300 -0.111 0.000 1.115 1724 I CB 0.420 38.089 38.000 -0.551 0.000 1.300 1724 I HN 0.378 nan 8.210 nan 0.000 0.471 1725 G N 1.227 110.070 108.800 0.072 0.000 2.249 1725 G HA2 0.181 4.141 3.960 0.001 0.000 0.252 1725 G HA3 0.181 4.141 3.960 0.001 0.000 0.252 1725 G C -1.327 173.668 174.900 0.158 0.000 1.697 1725 G CA -1.074 44.122 45.100 0.160 0.000 0.916 1725 G HN 0.236 nan 8.290 nan 0.000 0.725 1726 R N 0.272 120.922 120.500 0.251 0.000 2.828 1726 R HA 0.697 5.037 4.340 0.001 0.000 0.264 1726 R C 0.391 176.937 176.300 0.409 0.000 1.022 1726 R CA -0.992 55.262 56.100 0.258 0.000 1.021 1726 R CB 2.014 32.405 30.300 0.152 0.000 1.163 1726 R HN 0.448 nan 8.270 nan 0.000 0.494 1727 V N 1.861 121.983 119.914 0.348 0.000 2.539 1727 V HA -0.055 4.066 4.120 0.001 0.000 0.300 1727 V C 1.005 177.149 176.094 0.083 0.000 1.019 1727 V CA 0.763 63.204 62.300 0.235 0.000 1.160 1727 V CB 0.513 32.446 31.823 0.183 0.000 0.901 1727 V HN 1.008 nan 8.190 nan 0.000 0.481 1728 A N 3.324 126.108 122.820 -0.061 0.000 2.167 1728 A HA 0.728 5.049 4.320 0.001 0.000 0.208 1728 A C 1.069 178.624 177.584 -0.049 0.000 1.198 1728 A CA 0.736 52.749 52.037 -0.040 0.000 0.863 1728 A CB 0.394 19.360 19.000 -0.057 0.000 0.904 1728 A HN 1.443 nan 8.150 nan 0.000 0.484 1729 G N -0.821 107.925 108.800 -0.089 0.000 2.344 1729 G HA2 0.398 4.359 3.960 0.001 0.000 0.282 1729 G HA3 0.398 4.359 3.960 0.001 0.000 0.282 1729 G C -3.388 171.472 174.900 -0.068 0.000 1.281 1729 G CA -0.184 44.884 45.100 -0.053 0.000 0.877 1729 G HN 0.021 nan 8.290 nan 0.000 0.494 1730 P HA 0.364 nan 4.420 nan 0.000 0.279 1730 P C -2.633 174.639 177.300 -0.048 0.000 1.239 1730 P CA -1.209 61.865 63.100 -0.044 0.000 0.789 1730 P CB 0.567 32.249 31.700 -0.031 0.000 0.933 1731 P HA 0.070 nan 4.420 nan 0.000 0.264 1731 P C -0.097 177.188 177.300 -0.026 0.000 1.193 1731 P CA 0.452 63.527 63.100 -0.042 0.000 0.763 1731 P CB 0.182 31.813 31.700 -0.116 0.000 0.810 1732 I N 1.452 122.037 120.570 0.025 0.000 2.412 1732 I HA 0.482 4.652 4.170 0.001 0.000 0.296 1732 I C -0.389 175.713 176.117 -0.026 0.000 0.987 1732 I CA -1.238 60.077 61.300 0.026 0.000 1.180 1732 I CB 1.879 39.925 38.000 0.078 0.000 1.340 1732 I HN 0.145 nan 8.210 nan 0.000 0.455 1733 L N 5.430 126.616 121.223 -0.060 0.000 2.295 1733 L HA 0.494 4.834 4.340 0.001 0.000 0.285 1733 L C -1.129 175.670 176.870 -0.118 0.000 1.035 1733 L CA -0.259 54.504 54.840 -0.129 0.000 0.806 1733 L CB 1.448 43.447 42.059 -0.100 0.000 1.214 1733 L HN 0.975 nan 8.230 nan 0.000 0.426 1734 N N 5.831 124.403 118.700 -0.214 0.000 2.564 1734 N HA 0.446 5.187 4.740 0.001 0.000 0.248 1734 N C -2.329 173.117 175.510 -0.107 0.000 0.986 1734 N CA -1.546 51.428 53.050 -0.126 0.000 0.921 1734 N CB 1.614 40.043 38.487 -0.098 0.000 1.136 1734 N HN 0.310 nan 8.380 nan 0.000 0.509 1735 P HA 0.093 nan 4.420 nan 0.000 0.236 1735 P C 0.815 178.098 177.300 -0.028 0.000 1.177 1735 P CA 0.553 63.624 63.100 -0.048 0.000 0.773 1735 P CB 0.435 32.115 31.700 -0.034 0.000 0.878 1736 I N -0.411 120.151 120.570 -0.014 0.000 2.339 1736 I HA -0.055 4.115 4.170 0.001 0.000 0.245 1736 I C 2.063 178.184 176.117 0.005 0.000 1.096 1736 I CA 1.194 62.495 61.300 0.001 0.000 1.408 1736 I CB -0.551 37.457 38.000 0.013 0.000 1.092 1736 I HN -0.131 nan 8.210 nan 0.000 0.423 1737 A N -0.047 122.777 122.820 0.007 0.000 2.307 1737 A HA 0.049 4.370 4.320 0.001 0.000 0.218 1737 A C 0.889 178.463 177.584 -0.016 0.000 1.228 1737 A CA 0.147 52.197 52.037 0.021 0.000 0.857 1737 A CB -0.713 18.328 19.000 0.068 0.000 0.897 1737 A HN 0.594 nan 8.150 nan 0.000 0.495 1738 N N -0.528 118.141 118.700 -0.051 0.000 2.740 1738 N HA -0.169 4.571 4.740 0.001 0.000 0.248 1738 N C -0.765 174.661 175.510 -0.139 0.000 1.062 1738 N CA 1.175 54.182 53.050 -0.071 0.000 0.704 1738 N CB -0.800 37.674 38.487 -0.022 0.000 0.968 1738 N HN 0.725 nan 8.380 nan 0.000 0.547 1739 E N -0.143 119.905 120.200 -0.253 0.000 2.314 1739 E HA 0.511 4.862 4.350 0.001 0.000 0.272 1739 E C -0.694 175.550 176.600 -0.593 0.000 0.884 1739 E CA -0.769 55.372 56.400 -0.431 0.000 0.753 1739 E CB 1.655 31.074 29.700 -0.469 0.000 1.213 1739 E HN 0.172 nan 8.360 nan 0.000 0.432 1740 I N 2.949 123.277 120.570 -0.404 0.000 2.359 1740 I HA 0.284 4.454 4.170 0.001 0.000 0.294 1740 I C -1.079 174.996 176.117 -0.069 0.000 0.987 1740 I CA -0.629 60.510 61.300 -0.269 0.000 1.225 1740 I CB 0.505 38.434 38.000 -0.117 0.000 1.366 1740 I HN 0.379 nan 8.210 nan 0.000 0.466 1741 Y N 6.301 126.681 120.300 0.135 0.000 2.377 1741 Y HA 0.602 5.153 4.550 0.001 0.000 0.339 1741 Y C -0.289 175.708 175.900 0.162 0.000 1.011 1741 Y CA -1.097 57.099 58.100 0.158 0.000 1.093 1741 Y CB 1.318 39.824 38.460 0.076 0.000 1.201 1741 Y HN 0.338 nan 8.280 nan 0.000 0.455 1742 L N 3.982 125.446 121.223 0.403 0.000 2.341 1742 L HA 0.483 4.824 4.340 0.001 0.000 0.278 1742 L C -0.630 176.230 176.870 -0.016 0.000 1.005 1742 L CA -0.542 54.392 54.840 0.157 0.000 0.818 1742 L CB 1.114 43.353 42.059 0.300 0.000 1.259 1742 L HN 0.663 nan 8.230 nan 0.000 0.418 1743 N N 3.181 121.734 118.700 -0.245 0.000 2.405 1743 N HA 0.549 5.290 4.740 0.001 0.000 0.299 1743 N C -1.423 173.785 175.510 -0.504 0.000 1.075 1743 N CA -0.226 52.707 53.050 -0.195 0.000 0.884 1743 N CB 1.992 40.441 38.487 -0.063 0.000 1.194 1743 N HN 0.220 nan 8.380 nan 0.000 0.491 1744 F N 0.419 120.441 119.950 0.121 0.000 2.556 1744 F HA 0.381 4.908 4.527 0.000 0.000 0.314 1744 F C 0.097 175.969 175.800 0.120 0.000 1.106 1744 F CA -0.703 57.364 58.000 0.112 0.000 0.911 1744 F CB 2.016 41.079 39.000 0.105 0.000 1.190 1744 F HN 0.197 nan 8.300 nan 0.000 0.448 1745 E N 1.011 121.376 120.200 0.275 0.000 2.246 1745 E HA 0.432 4.782 4.350 0.001 0.000 0.266 1745 E C -1.130 175.587 176.600 0.195 0.000 0.880 1745 E CA -0.877 55.650 56.400 0.212 0.000 0.762 1745 E CB 2.154 31.943 29.700 0.149 0.000 1.180 1745 E HN 0.574 nan 8.360 nan 0.000 0.416 1746 S N 1.087 116.907 115.700 0.201 0.000 2.632 1746 S HA 0.165 4.636 4.470 0.001 0.000 0.271 1746 S C 0.985 175.665 174.600 0.134 0.000 1.260 1746 S CA -0.518 57.783 58.200 0.168 0.000 1.010 1746 S CB 1.807 65.133 63.200 0.210 0.000 0.965 1746 S HN 0.424 nan 8.310 nan 0.000 0.534 1747 S N 0.821 116.580 115.700 0.100 0.000 2.414 1747 S HA 0.013 4.484 4.470 0.001 0.000 0.227 1747 S C 1.156 175.799 174.600 0.072 0.000 1.022 1747 S CA 0.935 59.178 58.200 0.073 0.000 0.958 1747 S CB -0.894 62.332 63.200 0.043 0.000 0.797 1747 S HN 1.072 nan 8.310 nan 0.000 0.493 1748 T N 2.603 117.214 114.554 0.096 0.000 2.870 1748 T HA 0.426 4.776 4.350 0.001 0.000 0.300 1748 T C -2.921 171.824 174.700 0.075 0.000 0.989 1748 T CA -1.741 60.419 62.100 0.099 0.000 1.139 1748 T CB 0.925 69.881 68.868 0.146 0.000 0.920 1748 T HN 0.050 nan 8.240 nan 0.000 0.537 1749 P HA 0.239 nan 4.420 nan 0.000 0.275 1749 P C 0.415 177.543 177.300 -0.287 0.000 1.227 1749 P CA -0.846 62.187 63.100 -0.112 0.000 0.781 1749 P CB 0.338 31.973 31.700 -0.109 0.000 0.906 1750 c N 3.910 122.195 118.600 -0.525 0.000 2.758 1750 c HA 0.029 4.599 4.570 0.001 0.000 0.371 1750 c C 2.022 175.896 174.090 -0.360 0.000 1.342 1750 c CA -0.177 55.579 56.329 -0.956 0.000 2.257 1750 c CB -1.079 41.085 42.510 -0.576 0.000 2.621 1750 c HN 0.589 nan 8.230 nan 0.000 0.730 1751 L N 2.972 124.114 121.223 -0.134 0.000 2.022 1751 L HA 0.104 4.445 4.340 0.001 0.000 0.204 1751 L C 2.614 179.489 176.870 0.008 0.000 1.076 1751 L CA 2.350 57.218 54.840 0.047 0.000 0.749 1751 L CB -1.640 40.530 42.059 0.184 0.000 0.903 1751 L HN 0.945 nan 8.230 nan 0.000 0.439 1752 A N -0.570 122.271 122.820 0.035 0.000 1.865 1752 A HA -0.207 4.114 4.320 0.001 0.000 0.217 1752 A C 0.363 177.948 177.584 0.003 0.000 1.191 1752 A CA 1.643 53.699 52.037 0.032 0.000 0.623 1752 A CB -0.612 18.423 19.000 0.058 0.000 0.826 1752 A HN 0.568 nan 8.150 nan 0.000 0.444 1753 D N -1.965 118.431 120.400 -0.006 0.000 2.408 1753 D HA 0.464 5.104 4.640 0.001 0.000 0.243 1753 D C 0.316 176.503 176.300 -0.189 0.000 1.075 1753 D CA -0.331 53.614 54.000 -0.092 0.000 0.832 1753 D CB 1.633 42.374 40.800 -0.099 0.000 1.162 1753 D HN 0.131 nan 8.370 nan 0.000 0.515 1754 K N 0.643 120.898 120.400 -0.242 0.000 2.504 1754 K HA -0.025 4.295 4.320 0.001 0.000 0.195 1754 K C 0.697 177.029 176.600 -0.448 0.000 1.036 1754 K CA 0.611 56.708 56.287 -0.317 0.000 0.984 1754 K CB 0.262 32.563 32.500 -0.333 0.000 0.788 1754 K HN 0.506 nan 8.250 nan 0.000 0.488 1755 H N -0.890 117.957 119.070 -0.372 0.000 2.586 1755 H HA 0.140 4.697 4.556 0.001 0.000 0.273 1755 H C -0.529 174.547 175.328 -0.420 0.000 0.997 1755 H CA 0.169 55.970 56.048 -0.411 0.000 1.177 1755 H CB 0.334 29.815 29.762 -0.468 0.000 1.471 1755 H HN -0.046 nan 8.280 nan 0.000 0.538 1756 F N 0.669 120.632 119.950 0.022 0.000 2.522 1756 F HA 0.298 4.826 4.527 0.001 0.000 0.324 1756 F C 0.571 176.328 175.800 -0.072 0.000 1.077 1756 F CA -1.428 56.569 58.000 -0.005 0.000 0.944 1756 F CB 0.812 39.806 39.000 -0.011 0.000 1.175 1756 F HN -0.185 nan 8.300 nan 0.000 0.468 1757 N N 0.251 119.055 118.700 0.175 0.000 2.495 1757 N HA 0.187 4.928 4.740 0.001 0.000 0.280 1757 N C -0.948 174.623 175.510 0.102 0.000 1.168 1757 N CA -0.548 52.549 53.050 0.078 0.000 0.978 1757 N CB 0.433 38.995 38.487 0.124 0.000 1.191 1757 N HN 0.354 nan 8.380 nan 0.000 0.497 1758 Y N 0.160 120.578 120.300 0.197 0.000 2.597 1758 Y HA 0.104 4.654 4.550 0.001 0.000 0.336 1758 Y C 1.356 177.405 175.900 0.248 0.000 1.216 1758 Y CA 0.569 58.824 58.100 0.258 0.000 1.463 1758 Y CB 0.453 39.061 38.460 0.247 0.000 1.303 1758 Y HN 0.243 nan 8.280 nan 0.000 0.576 1759 T N 2.026 116.886 114.554 0.511 0.000 2.906 1759 T HA 0.689 5.039 4.350 0.001 0.000 0.295 1759 T C -1.026 173.940 174.700 0.443 0.000 1.061 1759 T CA -0.693 61.631 62.100 0.373 0.000 1.000 1759 T CB 1.068 70.085 68.868 0.248 0.000 1.103 1759 T HN 0.522 nan 8.240 nan 0.000 0.486 1760 S N 1.597 117.536 115.700 0.398 0.000 2.546 1760 S HA 0.768 5.239 4.470 0.001 0.000 0.274 1760 S C -1.688 173.192 174.600 0.466 0.000 1.121 1760 S CA -0.625 57.854 58.200 0.465 0.000 0.887 1760 S CB 1.539 64.970 63.200 0.386 0.000 1.094 1760 S HN 0.655 nan 8.310 nan 0.000 0.474 1761 L N 3.395 124.887 121.223 0.450 0.000 2.431 1761 L HA 0.662 5.003 4.340 0.001 0.000 0.266 1761 L C -1.831 175.268 176.870 0.382 0.000 0.978 1761 L CA -0.740 54.298 54.840 0.331 0.000 0.822 1761 L CB 1.117 43.259 42.059 0.139 0.000 1.310 1761 L HN 0.543 nan 8.230 nan 0.000 0.409 1762 I N 4.101 124.875 120.570 0.340 0.000 2.418 1762 I HA 0.465 4.636 4.170 0.001 0.000 0.287 1762 I C 0.181 176.373 176.117 0.125 0.000 1.008 1762 I CA -0.587 60.822 61.300 0.181 0.000 1.104 1762 I CB 1.475 39.520 38.000 0.075 0.000 1.264 1762 I HN 0.630 nan 8.210 nan 0.000 0.438 1763 A N 6.906 129.791 122.820 0.109 0.000 2.252 1763 A HA 0.698 5.018 4.320 0.001 0.000 0.309 1763 A C -0.885 176.689 177.584 -0.017 0.000 1.285 1763 A CA -0.246 51.916 52.037 0.208 0.000 0.900 1763 A CB -0.034 19.172 19.000 0.343 0.000 1.157 1763 A HN 0.468 nan 8.150 nan 0.000 0.536 1764 F N 2.560 122.538 119.950 0.047 0.000 2.408 1764 F HA 0.376 4.904 4.527 0.002 0.000 0.344 1764 F C 0.820 176.492 175.800 -0.213 0.000 1.112 1764 F CA 0.325 58.330 58.000 0.009 0.000 1.096 1764 F CB 1.206 40.168 39.000 -0.063 0.000 1.129 1764 F HN 0.520 nan 8.300 nan 0.000 0.486 1765 H N 1.751 120.952 119.070 0.219 0.000 2.609 1765 H HA 0.192 4.749 4.556 0.001 0.000 0.344 1765 H C -0.718 174.677 175.328 0.112 0.000 1.040 1765 H CA -0.947 55.178 56.048 0.129 0.000 1.216 1765 H CB 1.868 31.693 29.762 0.106 0.000 1.529 1765 H HN 0.762 nan 8.280 nan 0.000 0.519 1766 c N 4.572 123.264 118.600 0.154 0.000 2.648 1766 c HA 0.225 4.795 4.570 0.001 0.000 0.415 1766 c C 0.410 174.568 174.090 0.113 0.000 1.366 1766 c CA 0.122 56.511 56.329 0.099 0.000 1.756 1766 c CB -1.348 41.190 42.510 0.048 0.000 2.549 1766 c HN 0.809 nan 8.230 nan 0.000 0.597 1767 K N 4.648 125.107 120.400 0.099 0.000 2.731 1767 K HA 0.468 4.788 4.320 0.001 0.000 0.257 1767 K C 0.006 176.646 176.600 0.067 0.000 1.032 1767 K CA -0.277 56.061 56.287 0.085 0.000 0.983 1767 K CB 0.816 33.376 32.500 0.100 0.000 1.248 1767 K HN 0.927 nan 8.250 nan 0.000 0.484 1768 R N 1.359 121.889 120.500 0.049 0.000 2.486 1768 R HA 0.341 4.681 4.340 0.001 0.000 0.303 1768 R C 0.242 176.568 176.300 0.043 0.000 0.958 1768 R CA 0.930 57.053 56.100 0.039 0.000 1.077 1768 R CB -0.096 30.222 30.300 0.029 0.000 0.921 1768 R HN 0.815 nan 8.270 nan 0.000 0.406 1769 G N -0.683 108.144 108.800 0.045 0.000 2.673 1769 G HA2 0.419 4.380 3.960 0.001 0.000 0.292 1769 G HA3 0.419 4.380 3.960 0.001 0.000 0.292 1769 G C 0.273 175.200 174.900 0.045 0.000 1.450 1769 G CA 0.097 45.226 45.100 0.048 0.000 0.837 1769 G HN 0.957 nan 8.290 nan 0.000 0.505 1770 V N -0.016 119.923 119.914 0.042 0.000 3.141 1770 V HA 0.252 4.372 4.120 0.001 0.000 0.265 1770 V C 1.129 177.251 176.094 0.047 0.000 1.126 1770 V CA 2.334 64.657 62.300 0.038 0.000 1.141 1770 V CB 0.060 31.902 31.823 0.032 0.000 0.743 1770 V HN 0.884 nan 8.190 nan 0.000 0.492 1774 T N -0.385 114.150 114.554 -0.031 0.000 2.823 1774 T HA 0.750 5.100 4.350 0.001 0.000 0.279 1774 T C -2.723 171.526 174.700 -0.751 0.000 0.998 1774 T CA -1.862 60.031 62.100 -0.345 0.000 0.994 1774 T CB 2.194 71.006 68.868 -0.093 0.000 0.960 1774 T HN 0.420 nan 8.240 nan 0.000 0.448 1775 P HA 0.276 nan 4.420 nan 0.000 0.264 1775 P C -0.050 177.000 177.300 -0.417 0.000 1.236 1775 P CA -0.025 62.451 63.100 -1.040 0.000 0.811 1775 P CB -0.307 30.652 31.700 -1.236 0.000 0.840 1776 K N 4.059 124.315 120.400 -0.240 0.000 2.185 1776 K HA 0.283 4.604 4.320 0.001 0.000 0.271 1776 K C -0.182 176.397 176.600 -0.035 0.000 1.013 1776 K CA -0.784 55.434 56.287 -0.116 0.000 0.943 1776 K CB 0.335 32.771 32.500 -0.106 0.000 0.998 1776 K HN 0.621 nan 8.250 nan 0.000 0.468 1777 L N 3.198 124.366 121.223 -0.093 0.000 2.349 1777 L HA 0.186 4.526 4.340 0.001 0.000 0.275 1777 L C 0.943 177.631 176.870 -0.304 0.000 1.115 1777 L CA -0.585 54.049 54.840 -0.344 0.000 0.820 1777 L CB 0.770 42.478 42.059 -0.584 0.000 1.135 1777 L HN 0.755 nan 8.230 nan 0.000 0.445 1778 L N 4.216 125.231 121.223 -0.346 0.000 2.046 1778 L HA 0.263 4.603 4.340 0.001 0.000 0.203 1778 L C 1.108 177.837 176.870 -0.235 0.000 1.111 1778 L CA 1.427 56.132 54.840 -0.225 0.000 0.769 1778 L CB -0.587 41.378 42.059 -0.158 0.000 0.914 1778 L HN 0.787 nan 8.230 nan 0.000 0.448 1779 R N -1.272 119.062 120.500 -0.276 0.000 2.766 1779 R HA 0.598 4.939 4.340 0.001 0.000 0.270 1779 R C -0.658 175.466 176.300 -0.293 0.000 1.035 1779 R CA 0.033 55.991 56.100 -0.237 0.000 0.911 1779 R CB 0.632 30.834 30.300 -0.164 0.000 1.243 1779 R HN 0.342 nan 8.270 nan 0.000 0.460 1780 T N -1.578 112.817 114.554 -0.265 0.000 2.912 1780 T HA 0.694 5.045 4.350 0.001 0.000 0.299 1780 T C 0.190 174.723 174.700 -0.278 0.000 1.052 1780 T CA 0.076 61.959 62.100 -0.362 0.000 0.996 1780 T CB 1.557 70.171 68.868 -0.423 0.000 1.070 1780 T HN 1.679 nan 8.240 nan 0.000 0.465 1781 S N 1.001 116.517 115.700 -0.306 0.000 2.753 1781 S HA 0.753 5.223 4.470 0.001 0.000 0.302 1781 S C 1.745 176.231 174.600 -0.189 0.000 1.104 1781 S CA 0.111 58.193 58.200 -0.196 0.000 0.968 1781 S CB 0.157 63.270 63.200 -0.144 0.000 1.278 1781 S HN 1.174 nan 8.310 nan 0.000 0.549 1782 E N -0.499 119.651 120.200 -0.084 0.000 2.085 1782 E HA -0.129 4.221 4.350 0.001 0.000 0.194 1782 E C 1.987 178.623 176.600 0.061 0.000 0.994 1782 E CA 2.151 58.548 56.400 -0.005 0.000 0.801 1782 E CB -1.353 28.368 29.700 0.035 0.000 0.743 1782 E HN 0.726 nan 8.360 nan 0.000 0.453 1783 c N 0.036 118.661 118.600 0.042 0.000 3.449 1783 c HA 0.279 4.849 4.570 0.001 0.000 0.404 1783 c C 0.207 174.424 174.090 0.212 0.000 1.383 1783 c CA -0.645 55.802 56.329 0.196 0.000 1.936 1783 c CB 0.135 42.714 42.510 0.114 0.000 2.738 1783 c HN 0.504 nan 8.230 nan 0.000 0.663 1784 D N 0.378 120.757 120.400 -0.036 0.000 2.229 1784 D HA 0.509 5.150 4.640 0.001 0.000 0.249 1784 D C -1.054 175.086 176.300 -0.267 0.000 1.027 1784 D CA 0.316 54.315 54.000 -0.002 0.000 0.923 1784 D CB 1.220 41.998 40.800 -0.037 0.000 1.174 1784 D HN 0.190 nan 8.370 nan 0.000 0.443 1785 F N 0.295 120.266 119.950 0.034 0.000 2.557 1785 F HA 0.299 4.827 4.527 0.001 0.000 0.316 1785 F C -0.140 175.571 175.800 -0.148 0.000 1.141 1785 F CA -1.095 56.842 58.000 -0.105 0.000 0.922 1785 F CB 2.160 41.173 39.000 0.021 0.000 1.194 1785 F HN -0.031 nan 8.300 nan 0.000 0.443 1786 V N 5.100 124.873 119.914 -0.235 0.000 2.540 1786 V HA 0.668 4.789 4.120 0.001 0.000 0.302 1786 V C -1.580 174.260 176.094 -0.423 0.000 1.035 1786 V CA -0.659 61.538 62.300 -0.172 0.000 0.873 1786 V CB 1.343 33.100 31.823 -0.110 0.000 0.992 1786 V HN 0.601 nan 8.190 nan 0.000 0.428 1787 F N 3.364 123.290 119.950 -0.040 0.000 2.532 1787 F HA 0.791 5.319 4.527 0.001 0.000 0.321 1787 F C 0.553 176.314 175.800 -0.066 0.000 1.089 1787 F CA -0.178 57.762 58.000 -0.099 0.000 0.926 1787 F CB 1.903 40.816 39.000 -0.146 0.000 1.168 1787 F HN 0.664 nan 8.300 nan 0.000 0.459 1788 E N 2.240 122.498 120.200 0.097 0.000 2.214 1788 E HA 0.451 4.802 4.350 0.001 0.000 0.274 1788 E C -1.963 174.680 176.600 0.071 0.000 0.977 1788 E CA -0.700 55.762 56.400 0.102 0.000 0.827 1788 E CB 1.930 31.659 29.700 0.047 0.000 1.130 1788 E HN 0.636 nan 8.360 nan 0.000 0.394 1789 W N 2.213 123.455 121.300 -0.096 0.000 2.647 1789 W HA 0.385 5.046 4.660 0.002 0.000 0.328 1789 W C -0.912 175.660 176.519 0.087 0.000 1.018 1789 W CA -1.010 56.273 57.345 -0.104 0.000 1.245 1789 W CB 1.271 30.515 29.460 -0.361 0.000 1.356 1789 W HN 0.718 nan 8.180 nan 0.000 0.443 1790 E N 4.241 124.733 120.200 0.487 0.000 1.986 1790 E HA 0.383 4.734 4.350 0.001 0.000 0.264 1790 E C 0.383 177.227 176.600 0.406 0.000 1.023 1790 E CA 0.081 56.695 56.400 0.357 0.000 0.834 1790 E CB 0.693 30.498 29.700 0.175 0.000 1.111 1790 E HN 0.478 nan 8.360 nan 0.000 0.417 1791 T N 2.307 117.054 114.554 0.322 0.000 2.807 1791 T HA 0.358 4.709 4.350 0.001 0.000 0.279 1791 T C -2.278 172.477 174.700 0.093 0.000 0.993 1791 T CA -2.371 59.832 62.100 0.173 0.000 0.970 1791 T CB 1.065 69.893 68.868 -0.067 0.000 0.950 1791 T HN -0.049 nan 8.240 nan 0.000 0.441 1792 P HA 0.391 nan 4.420 nan 0.000 0.235 1792 P C 0.482 177.782 177.300 -0.001 0.000 1.765 1792 P CA 0.210 63.334 63.100 0.040 0.000 1.034 1792 P CB -0.383 31.345 31.700 0.046 0.000 1.984 1793 V N 0.544 120.437 119.914 -0.035 0.000 3.309 1793 V HA 0.203 4.323 4.120 0.001 0.000 0.268 1793 V C 1.661 177.690 176.094 -0.109 0.000 1.631 1793 V CA 0.889 63.136 62.300 -0.090 0.000 1.018 1793 V CB -0.061 31.667 31.823 -0.159 0.000 0.841 1793 V HN 0.095 nan 8.190 nan 0.000 0.418 1794 V N -0.731 119.136 119.914 -0.079 0.000 3.542 1794 V HA 0.336 4.456 4.120 0.001 0.000 0.296 1794 V C 0.775 176.842 176.094 -0.045 0.000 1.364 1794 V CA 0.558 62.809 62.300 -0.081 0.000 1.118 1794 V CB -0.608 31.179 31.823 -0.061 0.000 0.972 1794 V HN 0.439 nan 8.190 nan 0.000 0.430 1795 c N 1.671 120.254 118.600 -0.028 0.000 2.514 1795 c HA 0.457 5.027 4.570 0.001 0.000 0.392 1795 c C 0.492 174.569 174.090 -0.023 0.000 1.294 1795 c CA -0.213 56.108 56.329 -0.014 0.000 1.957 1795 c CB 0.892 43.402 42.510 0.001 0.000 2.541 1795 c HN 0.689 nan 8.230 nan 0.000 0.569 1796 P HA 0.062 nan 4.420 nan 0.000 0.215 1796 P C 0.226 177.516 177.300 -0.016 0.000 1.153 1796 P CA 2.100 65.188 63.100 -0.021 0.000 0.853 1796 P CB 0.117 31.807 31.700 -0.017 0.000 0.788 1797 D N 0.000 120.394 120.400 -0.010 0.000 6.856 1797 D HA 0.000 4.640 4.640 0.001 0.000 0.175 1797 D CA 0.000 nan 54.000 nan 0.000 0.868 1797 D CB 0.000 nan 40.800 nan 0.000 0.688 1797 D HN 0.000 nan 8.370 nan 0.000 0.683