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 3aen_1_D DATA FIRST_RESID 1505 DATA SEQUENCE DITTTLLHPK GDHVLHSHAY PIFQTSTFCF DSTQQGADLF MGKGEGHIYS DATA SEQUENCE RLGNPTVEQF EEMVCSIEGA AGSAAFGSGM GAISSSTLAF LQKGDHLIAG DATA SEQUENCE DTLYGCTVSL FTHWLPRFGI EVDLIDTSDV EKVKAAWKPN TKMVYLESPA DATA SEQUENCE NPTCKVSDIK GIAVVCHERG ARLVVDATFT SPCFLKPLEL GADIALHSVS DATA SEQUENCE KYINGHGDVI GGVSSAKTAE DIATIKFYRK DAGSLMAPMD AFLCARGMKT DATA SEQUENCE LPIRMQIHME NGLKVAKFLE QHEKIVKVNH PGLESFPGHD IAKKQMTGYG DATA SEQUENCE STFLFEMKSF EAAKKLMEHL KVCTLAVSLG CVDTLIEHPA SMTHAAVPEN DATA SEQUENCE IMRKQGITPE LVRISVGIEN VDDIIADLKQ ALEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1505 D HA 0.000 nan 4.640 nan 0.000 0.175 1505 D C 0.000 176.303 176.300 0.005 0.000 2.045 1505 D CA 0.000 54.005 54.000 0.008 0.000 0.868 1505 D CB 0.000 40.807 40.800 0.011 0.000 0.688 1506 I N -0.049 120.516 120.570 -0.009 0.000 2.454 1506 I HA -0.181 3.938 4.170 -0.085 0.000 0.254 1506 I C 1.941 178.051 176.117 -0.012 0.000 1.156 1506 I CA 1.553 62.840 61.300 -0.022 0.000 1.433 1506 I CB -0.665 37.304 38.000 -0.052 0.000 1.082 1506 I HN 0.442 nan 8.210 nan 0.000 0.432 1507 T N 0.335 114.888 114.554 -0.002 0.000 2.684 1507 T HA -0.172 4.127 4.350 -0.085 0.000 0.267 1507 T C 1.964 176.684 174.700 0.033 0.000 1.036 1507 T CA 2.149 64.253 62.100 0.007 0.000 1.148 1507 T CB -0.450 68.427 68.868 0.015 0.000 0.863 1507 T HN 0.391 nan 8.240 nan 0.000 0.436 1508 T N 1.870 116.462 114.554 0.064 0.000 2.759 1508 T HA -0.128 4.172 4.350 -0.085 0.000 0.269 1508 T C 2.251 177.043 174.700 0.154 0.000 1.042 1508 T CA 1.685 63.871 62.100 0.144 0.000 1.140 1508 T CB -0.698 68.235 68.868 0.108 0.000 0.864 1508 T HN 0.425 nan 8.240 nan 0.000 0.455 1509 T N 2.364 116.959 114.554 0.069 0.000 2.737 1509 T HA 0.079 4.378 4.350 -0.085 0.000 0.265 1509 T C 2.003 176.713 174.700 0.017 0.000 1.038 1509 T CA 0.835 62.961 62.100 0.045 0.000 1.144 1509 T CB -0.430 68.442 68.868 0.006 0.000 0.866 1509 T HN 0.267 nan 8.240 nan 0.000 0.434 1510 L N 0.481 121.697 121.223 -0.011 0.000 2.093 1510 L HA 0.025 4.314 4.340 -0.085 0.000 0.208 1510 L C 2.275 179.103 176.870 -0.071 0.000 1.085 1510 L CA 1.014 55.830 54.840 -0.041 0.000 0.755 1510 L CB -0.563 41.471 42.059 -0.042 0.000 0.904 1510 L HN 0.241 nan 8.230 nan 0.000 0.435 1511 L N -1.290 119.875 121.223 -0.098 0.000 2.418 1511 L HA -0.038 4.251 4.340 -0.085 0.000 0.218 1511 L C 0.681 177.237 176.870 -0.522 0.000 1.125 1511 L CA 0.379 55.054 54.840 -0.274 0.000 0.835 1511 L CB -0.201 41.684 42.059 -0.291 0.000 0.953 1511 L HN 0.348 nan 8.230 nan 0.000 0.454 1512 H N 0.302 119.381 119.070 0.015 0.000 2.386 1512 H HA 0.294 4.799 4.556 -0.085 0.000 0.232 1512 H C -2.158 173.168 175.328 -0.004 0.000 1.416 1512 H CA -1.625 54.437 56.048 0.023 0.000 1.285 1512 H CB 0.127 29.907 29.762 0.031 0.000 1.625 1512 H HN 0.100 nan 8.280 nan 0.000 0.521 1513 P HA 0.039 nan 4.420 nan 0.000 0.271 1513 P C -0.005 177.288 177.300 -0.012 0.000 1.218 1513 P CA -0.552 62.542 63.100 -0.010 0.000 0.780 1513 P CB 1.538 33.206 31.700 -0.054 0.000 0.901 1514 K N 0.765 121.149 120.400 -0.026 0.000 2.336 1514 K HA 0.544 4.813 4.320 -0.085 0.000 0.262 1514 K C 0.766 177.334 176.600 -0.052 0.000 0.992 1514 K CA -0.167 56.099 56.287 -0.034 0.000 0.927 1514 K CB -0.633 31.847 32.500 -0.033 0.000 0.956 1514 K HN 0.943 nan 8.250 nan 0.000 0.495 1515 G N 0.669 109.437 108.800 -0.054 0.000 2.406 1515 G HA2 0.019 3.928 3.960 -0.085 0.000 0.680 1515 G HA3 0.019 3.928 3.960 -0.085 0.000 0.680 1515 G C -1.726 173.128 174.900 -0.077 0.000 1.338 1515 G CA -0.911 44.163 45.100 -0.043 0.000 0.941 1515 G HN 0.666 nan 8.290 nan 0.000 0.633 1516 D N 0.101 120.482 120.400 -0.032 0.000 2.304 1516 D HA 0.519 5.108 4.640 -0.085 0.000 0.247 1516 D C 0.753 177.032 176.300 -0.035 0.000 1.089 1516 D CA -0.024 53.934 54.000 -0.070 0.000 0.910 1516 D CB 0.409 41.202 40.800 -0.011 0.000 1.199 1516 D HN 0.564 nan 8.370 nan 0.000 0.426 1517 H N -0.474 118.631 119.070 0.058 0.000 2.852 1517 H HA 0.245 4.750 4.556 -0.085 0.000 0.362 1517 H C -0.339 174.982 175.328 -0.012 0.000 1.122 1517 H CA -0.447 55.624 56.048 0.037 0.000 1.419 1517 H CB 0.541 30.300 29.762 -0.005 0.000 1.401 1517 H HN 0.022 nan 8.280 nan 0.000 0.609 1518 V N 4.848 124.807 119.914 0.075 0.000 2.364 1518 V HA -0.018 4.051 4.120 -0.085 0.000 0.272 1518 V C 0.770 176.884 176.094 0.034 0.000 1.036 1518 V CA -0.328 61.987 62.300 0.024 0.000 0.880 1518 V CB 0.704 32.492 31.823 -0.057 0.000 0.991 1518 V HN 0.790 nan 8.190 nan 0.000 0.460 1519 L N 5.780 127.042 121.223 0.065 0.000 3.839 1519 L HA -0.283 4.006 4.340 -0.085 0.000 0.416 1519 L C 1.045 178.037 176.870 0.203 0.000 1.195 1519 L CA 0.694 55.605 54.840 0.119 0.000 0.946 1519 L CB -1.505 40.591 42.059 0.062 0.000 1.891 1519 L HN 1.107 nan 8.230 nan 0.000 0.963 1520 H N -2.377 116.729 119.070 0.060 0.000 3.179 1520 H HA -0.169 4.336 4.556 -0.084 0.000 0.250 1520 H C 1.080 176.382 175.328 -0.043 0.000 1.142 1520 H CA 1.166 57.229 56.048 0.024 0.000 1.165 1520 H CB -1.000 28.766 29.762 0.006 0.000 1.253 1520 H HN 0.505 nan 8.280 nan 0.000 0.325 1521 S N -0.412 115.325 115.700 0.062 0.000 2.537 1521 S HA -0.041 4.378 4.470 -0.085 0.000 0.286 1521 S C 1.576 176.181 174.600 0.008 0.000 1.299 1521 S CA 0.174 58.391 58.200 0.028 0.000 1.067 1521 S CB 0.638 63.834 63.200 -0.007 0.000 0.864 1521 S HN 0.555 nan 8.310 nan 0.000 0.494 1522 H N 3.971 122.991 119.070 -0.084 0.000 2.299 1522 H HA 0.072 4.578 4.556 -0.085 0.000 0.302 1522 H C 0.987 176.351 175.328 0.060 0.000 1.078 1522 H CA 1.086 57.083 56.048 -0.085 0.000 1.323 1522 H CB -0.244 29.487 29.762 -0.050 0.000 1.381 1522 H HN 0.738 nan 8.280 nan 0.000 0.498 1523 A N 0.562 123.376 122.820 -0.009 0.000 2.388 1523 A HA 0.128 4.398 4.320 -0.085 0.000 0.257 1523 A C -0.980 176.682 177.584 0.129 0.000 1.095 1523 A CA -0.290 51.759 52.037 0.020 0.000 0.791 1523 A CB -0.288 18.779 19.000 0.112 0.000 1.029 1523 A HN 0.534 nan 8.150 nan 0.000 0.489 1524 Y N 3.304 123.670 120.300 0.110 0.000 2.465 1524 Y HA 0.319 4.819 4.550 -0.084 0.000 0.331 1524 Y C -1.832 174.198 175.900 0.216 0.000 1.102 1524 Y CA -1.090 57.115 58.100 0.174 0.000 1.358 1524 Y CB 0.357 38.911 38.460 0.157 0.000 1.213 1524 Y HN 0.512 nan 8.280 nan 0.000 0.525 1525 P HA 0.130 nan 4.420 nan 0.000 0.272 1525 P C -0.914 176.424 177.300 0.063 0.000 1.230 1525 P CA 0.041 63.060 63.100 -0.135 0.000 0.788 1525 P CB 0.642 32.084 31.700 -0.429 0.000 0.949 1526 I N 1.822 122.327 120.570 -0.108 0.000 2.291 1526 I HA 0.198 4.317 4.170 -0.085 0.000 0.290 1526 I C -0.010 176.042 176.117 -0.109 0.000 1.050 1526 I CA -0.334 60.953 61.300 -0.022 0.000 1.245 1526 I CB -0.108 37.768 38.000 -0.208 0.000 1.405 1526 I HN 0.218 nan 8.210 nan 0.000 0.478 1527 F N 4.820 124.781 119.950 0.019 0.000 2.652 1527 F HA 0.133 4.609 4.527 -0.085 0.000 0.352 1527 F C 1.129 176.890 175.800 -0.065 0.000 1.259 1527 F CA -0.380 57.606 58.000 -0.023 0.000 1.249 1527 F CB 0.087 39.114 39.000 0.045 0.000 1.628 1527 F HN 0.487 nan 8.300 nan 0.000 0.654 1528 Q N 2.653 122.433 119.800 -0.035 0.000 2.815 1528 Q HA 0.154 4.443 4.340 -0.085 0.000 0.235 1528 Q C -0.297 175.647 176.000 -0.092 0.000 1.354 1528 Q CA 0.155 55.923 55.803 -0.060 0.000 0.953 1528 Q CB 0.174 28.855 28.738 -0.096 0.000 1.613 1528 Q HN 0.441 nan 8.270 nan 0.000 0.572 1529 T N -0.103 114.395 114.554 -0.094 0.000 2.894 1529 T HA 0.439 4.739 4.350 -0.085 0.000 0.309 1529 T C 0.586 175.166 174.700 -0.199 0.000 1.208 1529 T CA 0.062 62.051 62.100 -0.184 0.000 1.016 1529 T CB 1.173 69.841 68.868 -0.334 0.000 1.192 1529 T HN 0.452 nan 8.240 nan 0.000 0.491 1530 S N 1.962 117.539 115.700 -0.205 0.000 2.412 1530 S HA 0.236 4.655 4.470 -0.085 0.000 0.223 1530 S C 1.038 175.496 174.600 -0.237 0.000 1.048 1530 S CA 0.319 58.367 58.200 -0.254 0.000 0.954 1530 S CB -0.164 62.960 63.200 -0.128 0.000 0.840 1530 S HN 0.708 nan 8.310 nan 0.000 0.503 1531 T N 0.578 115.048 114.554 -0.140 0.000 2.940 1531 T HA 0.706 5.005 4.350 -0.085 0.000 0.288 1531 T C -1.803 172.697 174.700 -0.333 0.000 1.045 1531 T CA -0.775 61.337 62.100 0.020 0.000 1.018 1531 T CB 0.808 69.769 68.868 0.155 0.000 1.151 1531 T HN 0.186 nan 8.240 nan 0.000 0.529 1532 F N 0.497 120.420 119.950 -0.045 0.000 2.577 1532 F HA 0.551 5.027 4.527 -0.085 0.000 0.318 1532 F C 0.324 175.966 175.800 -0.263 0.000 1.065 1532 F CA -0.831 57.118 58.000 -0.085 0.000 0.929 1532 F CB 1.221 40.217 39.000 -0.007 0.000 1.237 1532 F HN 0.515 nan 8.300 nan 0.000 0.468 1533 C N 2.040 121.339 119.300 -0.002 0.000 2.459 1533 C HA 0.539 4.949 4.460 -0.085 0.000 0.374 1533 C C -0.333 174.656 174.990 -0.002 0.000 1.241 1533 C CA -0.692 58.274 59.018 -0.087 0.000 2.352 1533 C CB -0.234 27.520 27.740 0.023 0.000 2.490 1533 C HN 0.406 nan 8.230 nan 0.000 0.583 1534 F N 1.287 121.315 119.950 0.130 0.000 2.458 1534 F HA 0.294 4.770 4.527 -0.085 0.000 0.330 1534 F C 1.347 177.198 175.800 0.084 0.000 1.082 1534 F CA -0.871 57.194 58.000 0.109 0.000 0.995 1534 F CB 0.599 39.665 39.000 0.110 0.000 1.170 1534 F HN 0.581 nan 8.300 nan 0.000 0.478 1535 D N 0.247 120.813 120.400 0.277 0.000 2.224 1535 D HA -0.021 4.568 4.640 -0.085 0.000 0.205 1535 D C 0.481 176.861 176.300 0.133 0.000 0.965 1535 D CA 1.108 55.205 54.000 0.161 0.000 0.852 1535 D CB 0.254 41.123 40.800 0.115 0.000 0.947 1535 D HN 0.435 nan 8.370 nan 0.000 0.494 1536 S N -2.648 113.136 115.700 0.141 0.000 2.627 1536 S HA 0.181 4.600 4.470 -0.085 0.000 0.268 1536 S C 0.690 175.331 174.600 0.068 0.000 1.130 1536 S CA -0.619 57.635 58.200 0.090 0.000 0.819 1536 S CB 1.296 64.525 63.200 0.048 0.000 1.100 1536 S HN -0.147 nan 8.310 nan 0.000 0.465 1537 T N 1.232 115.814 114.554 0.046 0.000 2.684 1537 T HA -0.165 4.134 4.350 -0.085 0.000 0.267 1537 T C 1.776 176.441 174.700 -0.059 0.000 1.036 1537 T CA 2.260 64.366 62.100 0.010 0.000 1.148 1537 T CB -0.585 68.292 68.868 0.015 0.000 0.863 1537 T HN 0.664 nan 8.240 nan 0.000 0.436 1538 Q N 1.088 120.864 119.800 -0.040 0.000 2.061 1538 Q HA -0.136 4.153 4.340 -0.085 0.000 0.204 1538 Q C 2.377 178.321 176.000 -0.093 0.000 0.984 1538 Q CA 1.664 57.435 55.803 -0.053 0.000 0.846 1538 Q CB -0.496 28.226 28.738 -0.027 0.000 0.902 1538 Q HN 0.488 nan 8.270 nan 0.000 0.421 1539 Q N -0.911 118.834 119.800 -0.093 0.000 2.124 1539 Q HA -0.113 4.176 4.340 -0.085 0.000 0.202 1539 Q C 1.826 177.629 176.000 -0.328 0.000 0.977 1539 Q CA 1.698 57.427 55.803 -0.123 0.000 0.850 1539 Q CB -0.501 28.218 28.738 -0.031 0.000 0.901 1539 Q HN 0.516 nan 8.270 nan 0.000 0.429 1540 G N 0.619 109.042 108.800 -0.629 0.000 2.433 1540 G HA2 -0.239 3.670 3.960 -0.085 0.000 0.216 1540 G HA3 -0.239 3.670 3.960 -0.085 0.000 0.216 1540 G C 1.565 176.170 174.900 -0.491 0.000 1.186 1540 G CA 1.475 45.718 45.100 -1.428 0.000 0.779 1540 G HN 0.518 nan 8.290 nan 0.000 0.543 1541 A N 1.183 123.862 122.820 -0.236 0.000 1.892 1541 A HA -0.151 4.118 4.320 -0.085 0.000 0.218 1541 A C 2.115 179.682 177.584 -0.027 0.000 1.188 1541 A CA 2.370 54.366 52.037 -0.069 0.000 0.631 1541 A CB -0.628 18.332 19.000 -0.067 0.000 0.822 1541 A HN 0.310 nan 8.150 nan 0.000 0.447 1542 D N -0.049 120.304 120.400 -0.078 0.000 2.104 1542 D HA -0.133 4.456 4.640 -0.085 0.000 0.194 1542 D C 1.958 178.223 176.300 -0.057 0.000 0.994 1542 D CA 1.131 55.097 54.000 -0.056 0.000 0.830 1542 D CB -0.405 40.356 40.800 -0.066 0.000 0.959 1542 D HN 0.458 nan 8.370 nan 0.000 0.452 1543 L N -0.525 120.628 121.223 -0.116 0.000 2.042 1543 L HA -0.163 4.126 4.340 -0.085 0.000 0.210 1543 L C 2.352 179.147 176.870 -0.124 0.000 1.076 1543 L CA 0.888 55.642 54.840 -0.144 0.000 0.749 1543 L CB -0.443 41.499 42.059 -0.194 0.000 0.893 1543 L HN 0.001 nan 8.230 nan 0.000 0.432 1544 F N -0.952 118.947 119.950 -0.085 0.000 2.333 1544 F HA -0.202 4.275 4.527 -0.084 0.000 0.300 1544 F C 2.239 178.026 175.800 -0.021 0.000 1.083 1544 F CA 0.838 58.820 58.000 -0.030 0.000 1.395 1544 F CB -0.019 38.962 39.000 -0.031 0.000 1.056 1544 F HN 0.109 nan 8.300 nan 0.000 0.529 1545 M N -0.722 118.948 119.600 0.116 0.000 2.495 1545 M HA 0.298 4.728 4.480 -0.085 0.000 0.237 1545 M C 1.664 177.978 176.300 0.024 0.000 1.131 1545 M CA 0.573 55.912 55.300 0.065 0.000 1.032 1545 M CB -1.023 31.598 32.600 0.036 0.000 1.513 1545 M HN 0.213 nan 8.290 nan 0.000 0.488 1546 G N 1.856 110.654 108.800 -0.004 0.000 2.147 1546 G HA2 -0.279 3.630 3.960 -0.085 0.000 0.244 1546 G HA3 -0.279 3.630 3.960 -0.085 0.000 0.244 1546 G C 0.183 175.059 174.900 -0.040 0.000 1.005 1546 G CA 0.594 45.676 45.100 -0.031 0.000 0.713 1546 G HN 0.485 nan 8.290 nan 0.000 0.515 1547 K N 0.280 120.655 120.400 -0.040 0.000 2.206 1547 K HA 0.607 4.876 4.320 -0.085 0.000 0.264 1547 K C 0.845 177.412 176.600 -0.055 0.000 0.967 1547 K CA 0.392 56.655 56.287 -0.040 0.000 0.844 1547 K CB 1.026 33.509 32.500 -0.028 0.000 1.099 1547 K HN 1.666 nan 8.250 nan 0.000 0.441 1548 G N 2.235 111.004 108.800 -0.052 0.000 2.796 1548 G HA2 -0.155 3.755 3.960 -0.085 0.000 0.571 1548 G HA3 -0.155 3.755 3.960 -0.085 0.000 0.571 1548 G C -1.292 173.560 174.900 -0.079 0.000 1.370 1548 G CA -0.767 44.300 45.100 -0.055 0.000 0.856 1548 G HN 0.570 nan 8.290 nan 0.000 0.538 1549 E N 0.247 120.401 120.200 -0.077 0.000 2.191 1549 E HA 0.757 5.057 4.350 -0.085 0.000 0.274 1549 E C 0.707 177.229 176.600 -0.129 0.000 0.948 1549 E CA 0.536 56.870 56.400 -0.111 0.000 0.802 1549 E CB 1.403 31.058 29.700 -0.075 0.000 1.137 1549 E HN 2.111 nan 8.360 nan 0.000 0.397 1550 G N 1.624 110.273 108.800 -0.252 0.000 2.357 1550 G HA2 0.124 4.033 3.960 -0.085 0.000 0.289 1550 G HA3 0.124 4.033 3.960 -0.085 0.000 0.289 1550 G C -1.604 172.949 174.900 -0.580 0.000 1.302 1550 G CA -0.973 43.970 45.100 -0.261 0.000 0.936 1550 G HN 0.518 nan 8.290 nan 0.000 0.513 1551 H N -1.590 117.284 119.070 -0.326 0.000 2.797 1551 H HA 0.778 5.283 4.556 -0.085 0.000 0.372 1551 H C 0.974 176.092 175.328 -0.350 0.000 1.168 1551 H CA -0.619 55.059 56.048 -0.617 0.000 1.163 1551 H CB 2.173 31.022 29.762 -1.522 0.000 1.778 1551 H HN 0.381 nan 8.280 nan 0.000 0.551 1552 I N -0.622 119.870 120.570 -0.130 0.000 3.739 1552 I HA 0.176 4.295 4.170 -0.085 0.000 0.272 1552 I C -0.956 175.391 176.117 0.383 0.000 1.167 1552 I CA 0.039 61.416 61.300 0.130 0.000 1.386 1552 I CB 0.917 38.847 38.000 -0.117 0.000 1.490 1552 I HN 0.357 nan 8.210 nan 0.000 0.452 1553 Y N -0.160 120.250 120.300 0.185 0.000 2.474 1553 Y HA 0.242 4.742 4.550 -0.084 0.000 0.326 1553 Y C 0.649 176.676 175.900 0.211 0.000 1.160 1553 Y CA -0.975 57.271 58.100 0.243 0.000 1.056 1553 Y CB 1.566 40.101 38.460 0.124 0.000 1.330 1553 Y HN -0.153 nan 8.280 nan 0.000 0.447 1554 S N 3.266 118.824 115.700 -0.237 0.000 2.400 1554 S HA -0.174 4.245 4.470 -0.085 0.000 0.232 1554 S C 1.906 176.427 174.600 -0.131 0.000 1.025 1554 S CA 1.707 59.834 58.200 -0.121 0.000 0.993 1554 S CB -0.186 62.931 63.200 -0.138 0.000 0.808 1554 S HN 0.728 nan 8.310 nan 0.000 0.478 1555 R N 0.996 121.371 120.500 -0.208 0.000 2.096 1555 R HA -0.026 4.264 4.340 -0.085 0.000 0.235 1555 R C 1.933 178.259 176.300 0.043 0.000 1.127 1555 R CA 1.159 57.255 56.100 -0.006 0.000 0.968 1555 R CB -0.293 30.084 30.300 0.129 0.000 0.861 1555 R HN 0.375 nan 8.270 nan 0.000 0.440 1556 L N -1.051 120.232 121.223 0.100 0.000 2.156 1556 L HA 0.174 4.463 4.340 -0.085 0.000 0.208 1556 L C 0.879 177.747 176.870 -0.003 0.000 1.095 1556 L CA 0.639 55.502 54.840 0.039 0.000 0.770 1556 L CB -0.026 42.050 42.059 0.029 0.000 0.914 1556 L HN 0.387 nan 8.230 nan 0.000 0.439 1557 G N 0.064 108.871 108.800 0.012 0.000 2.405 1557 G HA2 0.096 4.006 3.960 -0.085 0.000 0.312 1557 G HA3 0.096 4.006 3.960 -0.085 0.000 0.312 1557 G C -1.937 172.991 174.900 0.047 0.000 1.579 1557 G CA -0.602 44.512 45.100 0.023 0.000 0.933 1557 G HN -0.052 nan 8.290 nan 0.000 0.628 1558 N N 3.080 121.784 118.700 0.007 0.000 2.354 1558 N HA 0.476 5.166 4.740 -0.085 0.000 0.287 1558 N C -1.937 173.492 175.510 -0.135 0.000 1.016 1558 N CA -1.976 51.055 53.050 -0.032 0.000 0.871 1558 N CB 3.494 42.006 38.487 0.042 0.000 1.299 1558 N HN 0.050 nan 8.380 nan 0.000 0.482 1559 P HA -0.065 nan 4.420 nan 0.000 0.216 1559 P C 1.047 178.314 177.300 -0.055 0.000 1.150 1559 P CA 1.525 64.423 63.100 -0.338 0.000 0.837 1559 P CB 0.275 31.501 31.700 -0.790 0.000 0.786 1560 T N -0.755 113.893 114.554 0.156 0.000 2.777 1560 T HA -0.079 4.221 4.350 -0.085 0.000 0.266 1560 T C 1.853 176.611 174.700 0.095 0.000 1.040 1560 T CA 1.217 63.471 62.100 0.257 0.000 1.141 1560 T CB -0.993 68.115 68.868 0.400 0.000 0.868 1560 T HN -0.101 nan 8.240 nan 0.000 0.444 1561 V N 1.643 121.604 119.914 0.079 0.000 2.358 1561 V HA -0.162 3.907 4.120 -0.085 0.000 0.246 1561 V C 2.440 178.568 176.094 0.058 0.000 1.047 1561 V CA 1.638 63.987 62.300 0.082 0.000 1.035 1561 V CB -0.654 31.197 31.823 0.046 0.000 0.658 1561 V HN 0.540 nan 8.190 nan 0.000 0.452 1562 E N -0.397 119.794 120.200 -0.014 0.000 2.110 1562 E HA -0.255 4.044 4.350 -0.085 0.000 0.193 1562 E C 2.336 178.872 176.600 -0.108 0.000 0.988 1562 E CA 1.045 57.414 56.400 -0.052 0.000 0.804 1562 E CB -0.181 29.495 29.700 -0.041 0.000 0.745 1562 E HN 0.524 nan 8.360 nan 0.000 0.458 1563 Q N 0.142 119.828 119.800 -0.191 0.000 2.084 1563 Q HA -0.192 4.098 4.340 -0.085 0.000 0.202 1563 Q C 2.021 177.950 176.000 -0.120 0.000 0.978 1563 Q CA 1.317 56.953 55.803 -0.278 0.000 0.844 1563 Q CB -0.170 28.191 28.738 -0.629 0.000 0.898 1563 Q HN 0.344 nan 8.270 nan 0.000 0.426 1564 F N 1.438 121.301 119.950 -0.145 0.000 2.146 1564 F HA -0.156 4.319 4.527 -0.087 0.000 0.298 1564 F C 1.970 177.728 175.800 -0.071 0.000 1.096 1564 F CA 1.464 59.408 58.000 -0.093 0.000 1.275 1564 F CB 0.058 39.022 39.000 -0.059 0.000 1.008 1564 F HN 0.102 nan 8.300 nan 0.000 0.480 1565 E N 0.223 120.292 120.200 -0.219 0.000 2.058 1565 E HA -0.278 4.022 4.350 -0.085 0.000 0.194 1565 E C 2.064 178.508 176.600 -0.260 0.000 0.997 1565 E CA 1.850 58.089 56.400 -0.267 0.000 0.801 1565 E CB -0.260 29.378 29.700 -0.104 0.000 0.746 1565 E HN 0.570 nan 8.360 nan 0.000 0.450 1566 E N 0.215 120.299 120.200 -0.193 0.000 2.077 1566 E HA -0.186 4.113 4.350 -0.085 0.000 0.193 1566 E C 2.057 178.551 176.600 -0.177 0.000 0.989 1566 E CA 1.140 57.446 56.400 -0.157 0.000 0.800 1566 E CB -0.000 29.621 29.700 -0.132 0.000 0.746 1566 E HN 0.236 nan 8.360 nan 0.000 0.452 1567 M N -0.221 119.244 119.600 -0.225 0.000 2.108 1567 M HA -0.187 4.242 4.480 -0.085 0.000 0.261 1567 M C 2.254 178.406 176.300 -0.247 0.000 1.066 1567 M CA 1.166 56.339 55.300 -0.212 0.000 1.107 1567 M CB -0.076 32.406 32.600 -0.197 0.000 1.356 1567 M HN 0.047 nan 8.290 nan 0.000 0.406 1568 V N -0.766 118.916 119.914 -0.386 0.000 2.379 1568 V HA -0.273 3.796 4.120 -0.085 0.000 0.245 1568 V C 2.431 178.419 176.094 -0.177 0.000 1.044 1568 V CA 1.621 63.729 62.300 -0.320 0.000 1.036 1568 V CB -0.594 30.965 31.823 -0.440 0.000 0.664 1568 V HN 0.682 nan 8.190 nan 0.000 0.453 1569 C N 1.203 120.405 119.300 -0.162 0.000 2.385 1569 C HA -0.224 4.186 4.460 -0.085 0.000 0.275 1569 C C 3.389 178.336 174.990 -0.073 0.000 1.207 1569 C CA 1.985 60.948 59.018 -0.091 0.000 1.760 1569 C CB -1.085 26.606 27.740 -0.082 0.000 2.051 1569 C HN 0.783 nan 8.230 nan 0.000 0.467 1570 S N 0.641 116.290 115.700 -0.086 0.000 2.359 1570 S HA -0.233 4.186 4.470 -0.085 0.000 0.224 1570 S C 1.769 176.335 174.600 -0.056 0.000 1.035 1570 S CA 1.747 59.909 58.200 -0.064 0.000 1.018 1570 S CB -0.873 62.289 63.200 -0.063 0.000 0.876 1570 S HN 0.600 nan 8.310 nan 0.000 0.448 1571 I N 2.329 122.856 120.570 -0.073 0.000 2.394 1571 I HA -0.064 4.055 4.170 -0.085 0.000 0.251 1571 I C 2.211 178.302 176.117 -0.043 0.000 1.136 1571 I CA 1.386 62.646 61.300 -0.066 0.000 1.425 1571 I CB -0.493 37.451 38.000 -0.093 0.000 1.079 1571 I HN 0.216 nan 8.210 nan 0.000 0.425 1572 E N 0.686 120.866 120.200 -0.033 0.000 2.285 1572 E HA 0.079 4.378 4.350 -0.085 0.000 0.194 1572 E C 1.536 178.135 176.600 -0.001 0.000 0.997 1572 E CA 0.826 57.227 56.400 0.002 0.000 0.845 1572 E CB -0.300 29.415 29.700 0.025 0.000 0.782 1572 E HN 0.555 nan 8.360 nan 0.000 0.491 1573 G N 1.652 110.444 108.800 -0.013 0.000 2.225 1573 G HA2 -0.237 3.673 3.960 -0.085 0.000 0.264 1573 G HA3 -0.237 3.673 3.960 -0.085 0.000 0.264 1573 G C 0.257 175.154 174.900 -0.005 0.000 1.060 1573 G CA 0.380 45.473 45.100 -0.011 0.000 0.833 1573 G HN 0.487 nan 8.290 nan 0.000 0.498 1574 A N -0.770 122.047 122.820 -0.005 0.000 2.256 1574 A HA 0.969 5.239 4.320 -0.085 0.000 0.318 1574 A C 1.507 179.092 177.584 0.001 0.000 1.103 1574 A CA 0.470 52.509 52.037 0.004 0.000 0.860 1574 A CB 0.925 19.932 19.000 0.012 0.000 1.182 1574 A HN 1.673 nan 8.150 nan 0.000 0.501 1575 A N -0.424 122.402 122.820 0.011 0.000 2.067 1575 A HA 0.484 4.753 4.320 -0.085 0.000 0.217 1575 A C 1.093 178.681 177.584 0.007 0.000 1.156 1575 A CA 1.504 53.547 52.037 0.010 0.000 0.683 1575 A CB -0.446 18.566 19.000 0.020 0.000 0.808 1575 A HN 2.230 nan 8.150 nan 0.000 0.455 1576 G N -2.528 106.280 108.800 0.014 0.000 2.489 1576 G HA2 0.483 4.393 3.960 -0.085 0.000 0.291 1576 G HA3 0.483 4.393 3.960 -0.085 0.000 0.291 1576 G C -1.256 173.656 174.900 0.021 0.000 1.487 1576 G CA 0.038 45.143 45.100 0.007 0.000 0.795 1576 G HN 0.319 nan 8.290 nan 0.000 0.513 1577 S N -1.135 114.565 115.700 0.001 0.000 2.548 1577 S HA 0.892 5.311 4.470 -0.085 0.000 0.286 1577 S C -0.219 174.384 174.600 0.005 0.000 1.098 1577 S CA -0.107 58.101 58.200 0.014 0.000 0.930 1577 S CB 1.876 65.047 63.200 -0.049 0.000 1.070 1577 S HN 1.723 nan 8.310 nan 0.000 0.480 1578 A N 1.347 124.195 122.820 0.046 0.000 2.343 1578 A HA 0.883 5.152 4.320 -0.085 0.000 0.316 1578 A C -0.334 177.158 177.584 -0.153 0.000 1.104 1578 A CA -0.711 51.269 52.037 -0.094 0.000 0.768 1578 A CB 1.047 19.985 19.000 -0.104 0.000 1.213 1578 A HN 1.043 nan 8.150 nan 0.000 0.456 1579 A N 1.444 124.119 122.820 -0.242 0.000 2.295 1579 A HA 0.918 5.188 4.320 -0.085 0.000 0.318 1579 A C -0.822 176.505 177.584 -0.429 0.000 1.134 1579 A CA -0.261 51.741 52.037 -0.058 0.000 0.827 1579 A CB 0.323 19.443 19.000 0.201 0.000 1.136 1579 A HN 0.767 nan 8.150 nan 0.000 0.493 1580 F N -0.674 119.361 119.950 0.141 0.000 2.675 1580 F HA 0.537 5.013 4.527 -0.086 0.000 0.324 1580 F C 1.514 177.360 175.800 0.075 0.000 1.106 1580 F CA -0.066 57.997 58.000 0.104 0.000 0.970 1580 F CB 1.774 40.842 39.000 0.113 0.000 1.385 1580 F HN 0.616 nan 8.300 nan 0.000 0.489 1581 G N -0.331 108.635 108.800 0.278 0.000 2.559 1581 G HA2 0.273 4.183 3.960 -0.085 0.000 0.216 1581 G HA3 0.273 4.183 3.960 -0.085 0.000 0.216 1581 G C -0.168 174.812 174.900 0.133 0.000 1.126 1581 G CA 0.935 46.127 45.100 0.154 0.000 0.778 1581 G HN 0.665 nan 8.290 nan 0.000 0.543 1582 S N -3.700 112.102 115.700 0.169 0.000 2.611 1582 S HA 0.485 4.904 4.470 -0.085 0.000 0.270 1582 S C 0.993 175.658 174.600 0.108 0.000 1.131 1582 S CA 0.186 58.452 58.200 0.110 0.000 0.826 1582 S CB 0.950 64.195 63.200 0.075 0.000 1.095 1582 S HN 0.443 nan 8.310 nan 0.000 0.461 1583 G N 0.756 109.601 108.800 0.074 0.000 2.442 1583 G HA2 -0.150 3.759 3.960 -0.085 0.000 0.219 1583 G HA3 -0.150 3.759 3.960 -0.085 0.000 0.219 1583 G C 1.135 176.044 174.900 0.014 0.000 1.141 1583 G CA 1.237 46.370 45.100 0.055 0.000 0.763 1583 G HN 0.549 nan 8.290 nan 0.000 0.554 1584 M N 1.143 120.760 119.600 0.027 0.000 2.159 1584 M HA 0.023 4.452 4.480 -0.085 0.000 0.263 1584 M C 2.796 179.072 176.300 -0.039 0.000 1.063 1584 M CA 1.071 56.383 55.300 0.021 0.000 1.110 1584 M CB -1.692 30.944 32.600 0.059 0.000 1.374 1584 M HN 0.259 nan 8.290 nan 0.000 0.411 1585 G N -0.191 108.584 108.800 -0.042 0.000 2.440 1585 G HA2 -0.091 3.818 3.960 -0.085 0.000 0.218 1585 G HA3 -0.091 3.818 3.960 -0.085 0.000 0.218 1585 G C 1.663 176.192 174.900 -0.618 0.000 1.154 1585 G CA 1.237 46.263 45.100 -0.123 0.000 0.767 1585 G HN 0.549 nan 8.290 nan 0.000 0.552 1586 A N 0.548 122.962 122.820 -0.676 0.000 1.898 1586 A HA 0.112 4.381 4.320 -0.085 0.000 0.216 1586 A C 2.398 179.746 177.584 -0.393 0.000 1.181 1586 A CA 1.165 52.652 52.037 -0.915 0.000 0.620 1586 A CB -0.290 18.559 19.000 -0.252 0.000 0.819 1586 A HN 0.377 nan 8.150 nan 0.000 0.442 1587 I N 0.552 121.030 120.570 -0.154 0.000 2.202 1587 I HA -0.240 3.880 4.170 -0.085 0.000 0.242 1587 I C 2.918 179.024 176.117 -0.019 0.000 1.091 1587 I CA 1.648 62.954 61.300 0.009 0.000 1.368 1587 I CB -0.260 37.765 38.000 0.043 0.000 1.058 1587 I HN 0.499 nan 8.210 nan 0.000 0.410 1588 S N -0.228 115.434 115.700 -0.063 0.000 2.402 1588 S HA -0.115 4.304 4.470 -0.085 0.000 0.229 1588 S C 1.986 176.469 174.600 -0.195 0.000 1.021 1588 S CA 1.331 59.513 58.200 -0.031 0.000 0.974 1588 S CB -0.473 62.752 63.200 0.042 0.000 0.800 1588 S HN 0.326 nan 8.310 nan 0.000 0.484 1589 S N 1.711 117.247 115.700 -0.273 0.000 2.453 1589 S HA 0.094 4.513 4.470 -0.085 0.000 0.231 1589 S C 1.789 176.209 174.600 -0.301 0.000 1.005 1589 S CA 0.890 58.836 58.200 -0.423 0.000 0.949 1589 S CB -0.278 62.860 63.200 -0.102 0.000 0.774 1589 S HN 0.620 nan 8.310 nan 0.000 0.510 1590 S N 0.913 116.554 115.700 -0.100 0.000 2.558 1590 S HA 0.034 4.453 4.470 -0.085 0.000 0.217 1590 S C 1.884 176.628 174.600 0.240 0.000 0.975 1590 S CA 0.823 59.109 58.200 0.143 0.000 0.912 1590 S CB 0.045 63.348 63.200 0.172 0.000 0.776 1590 S HN 0.826 nan 8.310 nan 0.000 0.526 1591 T N -0.269 114.328 114.554 0.071 0.000 3.151 1591 T HA 0.280 4.579 4.350 -0.085 0.000 0.239 1591 T C 1.511 176.206 174.700 -0.008 0.000 0.979 1591 T CA -0.144 62.008 62.100 0.087 0.000 1.194 1591 T CB -0.658 68.235 68.868 0.042 0.000 0.982 1591 T HN 0.203 nan 8.240 nan 0.000 0.428 1592 L N 1.609 122.732 121.223 -0.167 0.000 2.551 1592 L HA 0.327 4.616 4.340 -0.085 0.000 0.228 1592 L C 2.908 179.543 176.870 -0.392 0.000 1.153 1592 L CA 0.534 55.262 54.840 -0.187 0.000 0.851 1592 L CB -0.473 41.547 42.059 -0.065 0.000 0.959 1592 L HN 0.447 nan 8.230 nan 0.000 0.451 1593 A N -0.535 121.868 122.820 -0.694 0.000 2.066 1593 A HA -0.047 4.222 4.320 -0.085 0.000 0.218 1593 A C 1.756 178.956 177.584 -0.640 0.000 1.157 1593 A CA 1.271 52.888 52.037 -0.701 0.000 0.670 1593 A CB -0.276 18.189 19.000 -0.892 0.000 0.804 1593 A HN 0.407 nan 8.150 nan 0.000 0.453 1594 F N -1.323 118.591 119.950 -0.060 0.000 2.619 1594 F HA 0.365 4.841 4.527 -0.085 0.000 0.281 1594 F C 0.541 176.330 175.800 -0.018 0.000 1.065 1594 F CA -0.408 57.580 58.000 -0.021 0.000 1.304 1594 F CB 0.118 39.104 39.000 -0.022 0.000 1.059 1594 F HN -0.121 nan 8.300 nan 0.000 0.648 1595 L N 2.233 123.539 121.223 0.138 0.000 2.371 1595 L HA 0.359 4.648 4.340 -0.085 0.000 0.272 1595 L C -0.202 176.706 176.870 0.063 0.000 1.124 1595 L CA -0.245 54.641 54.840 0.076 0.000 0.816 1595 L CB 1.033 43.109 42.059 0.028 0.000 1.129 1595 L HN 0.201 nan 8.230 nan 0.000 0.448 1596 Q N 1.978 121.813 119.800 0.058 0.000 2.553 1596 Q HA 0.359 4.648 4.340 -0.085 0.000 0.293 1596 Q C -1.039 174.998 176.000 0.061 0.000 1.038 1596 Q CA -1.201 54.638 55.803 0.059 0.000 0.777 1596 Q CB 1.780 30.546 28.738 0.047 0.000 1.487 1596 Q HN 0.387 nan 8.270 nan 0.000 0.426 1597 K N -0.254 120.188 120.400 0.069 0.000 2.511 1597 K HA 0.013 4.282 4.320 -0.085 0.000 0.277 1597 K C 0.654 177.280 176.600 0.043 0.000 1.025 1597 K CA 1.971 58.297 56.287 0.065 0.000 1.112 1597 K CB -0.645 31.892 32.500 0.062 0.000 0.859 1597 K HN 0.938 nan 8.250 nan 0.000 0.485 1598 G N 3.047 111.868 108.800 0.036 0.000 2.234 1598 G HA2 -0.201 3.708 3.960 -0.085 0.000 0.235 1598 G HA3 -0.201 3.708 3.960 -0.085 0.000 0.235 1598 G C -0.373 174.540 174.900 0.022 0.000 0.997 1598 G CA 0.202 45.316 45.100 0.023 0.000 0.623 1598 G HN 0.722 nan 8.290 nan 0.000 0.514 1599 D N 0.098 120.513 120.400 0.026 0.000 2.329 1599 D HA 0.580 5.169 4.640 -0.085 0.000 0.246 1599 D C 0.079 176.398 176.300 0.032 0.000 1.111 1599 D CA 0.060 54.070 54.000 0.017 0.000 0.941 1599 D CB 1.104 41.907 40.800 0.004 0.000 1.169 1599 D HN 0.371 nan 8.370 nan 0.000 0.441 1600 H N 0.114 119.111 119.070 -0.122 0.000 2.529 1600 H HA 0.531 5.037 4.556 -0.084 0.000 0.348 1600 H C -1.608 173.591 175.328 -0.216 0.000 1.079 1600 H CA -0.898 55.050 56.048 -0.167 0.000 1.198 1600 H CB 0.895 30.539 29.762 -0.197 0.000 1.521 1600 H HN 0.147 nan 8.280 nan 0.000 0.514 1601 L N 6.048 126.878 121.223 -0.656 0.000 2.341 1601 L HA 0.525 4.814 4.340 -0.085 0.000 0.278 1601 L C -1.421 174.990 176.870 -0.764 0.000 1.005 1601 L CA -0.406 54.060 54.840 -0.624 0.000 0.818 1601 L CB 0.971 42.744 42.059 -0.476 0.000 1.259 1601 L HN 0.714 nan 8.230 nan 0.000 0.418 1602 I N 5.202 125.425 120.570 -0.577 0.000 2.321 1602 I HA 0.683 4.803 4.170 -0.085 0.000 0.291 1602 I C 0.028 176.065 176.117 -0.134 0.000 0.998 1602 I CA -0.279 60.827 61.300 -0.323 0.000 1.227 1602 I CB 1.512 39.378 38.000 -0.224 0.000 1.368 1602 I HN 0.831 nan 8.210 nan 0.000 0.466 1603 A N 4.645 127.442 122.820 -0.038 0.000 2.380 1603 A HA 0.799 5.068 4.320 -0.085 0.000 0.315 1603 A C 0.128 177.808 177.584 0.160 0.000 1.101 1603 A CA -0.643 51.474 52.037 0.135 0.000 0.771 1603 A CB 1.211 20.345 19.000 0.223 0.000 1.287 1603 A HN 0.761 nan 8.150 nan 0.000 0.436 1604 G N 0.425 109.350 108.800 0.208 0.000 2.391 1604 G HA2 0.287 4.197 3.960 -0.085 0.000 0.234 1604 G HA3 0.287 4.197 3.960 -0.085 0.000 0.234 1604 G C 0.354 175.337 174.900 0.139 0.000 1.284 1604 G CA 0.560 45.749 45.100 0.149 0.000 0.873 1604 G HN 0.863 nan 8.290 nan 0.000 0.549 1605 D N -0.587 119.871 120.400 0.096 0.000 2.269 1605 D HA -0.063 4.526 4.640 -0.085 0.000 0.208 1605 D C 1.192 177.536 176.300 0.074 0.000 0.963 1605 D CA 1.018 55.065 54.000 0.079 0.000 0.864 1605 D CB 0.064 40.899 40.800 0.057 0.000 0.936 1605 D HN 0.326 nan 8.370 nan 0.000 0.505 1606 T N -0.049 114.550 114.554 0.075 0.000 2.809 1606 T HA 0.583 4.883 4.350 -0.085 0.000 0.296 1606 T C -0.872 173.877 174.700 0.082 0.000 1.015 1606 T CA -0.755 61.384 62.100 0.066 0.000 0.954 1606 T CB -0.110 68.781 68.868 0.038 0.000 0.950 1606 T HN 0.091 nan 8.240 nan 0.000 0.450 1607 L N 3.743 125.030 121.223 0.106 0.000 2.409 1607 L HA 0.536 4.825 4.340 -0.085 0.000 0.255 1607 L C -0.724 176.239 176.870 0.155 0.000 1.027 1607 L CA -1.713 53.193 54.840 0.110 0.000 0.834 1607 L CB 1.610 43.709 42.059 0.066 0.000 1.426 1607 L HN 0.586 nan 8.230 nan 0.000 0.411 1608 Y N 0.810 121.114 120.300 0.007 0.000 2.903 1608 Y HA -0.004 4.496 4.550 -0.083 0.000 0.338 1608 Y C 1.266 177.024 175.900 -0.237 0.000 1.265 1608 Y CA 0.789 58.849 58.100 -0.068 0.000 1.532 1608 Y CB 1.075 39.505 38.460 -0.049 0.000 1.293 1608 Y HN 0.700 nan 8.280 nan 0.000 0.609 1609 G N 3.066 111.070 108.800 -1.326 0.000 2.529 1609 G HA2 -0.318 3.591 3.960 -0.085 0.000 0.219 1609 G HA3 -0.318 3.591 3.960 -0.085 0.000 0.219 1609 G C 1.484 175.897 174.900 -0.813 0.000 1.177 1609 G CA 1.198 45.663 45.100 -1.058 0.000 0.773 1609 G HN 0.812 nan 8.290 nan 0.000 0.573 1610 C N 0.564 119.215 119.300 -1.082 0.000 2.448 1610 C HA 0.064 4.474 4.460 -0.085 0.000 0.280 1610 C C 3.175 177.982 174.990 -0.305 0.000 1.398 1610 C CA 1.259 60.002 59.018 -0.458 0.000 1.774 1610 C CB -1.003 26.634 27.740 -0.172 0.000 1.888 1610 C HN 0.463 nan 8.230 nan 0.000 0.519 1611 T N 1.139 115.483 114.554 -0.351 0.000 2.777 1611 T HA -0.129 4.170 4.350 -0.085 0.000 0.266 1611 T C 1.914 176.222 174.700 -0.654 0.000 1.040 1611 T CA 1.521 63.297 62.100 -0.540 0.000 1.141 1611 T CB -0.305 68.297 68.868 -0.444 0.000 0.868 1611 T HN 0.369 nan 8.240 nan 0.000 0.444 1612 V N 1.515 121.191 119.914 -0.397 0.000 2.287 1612 V HA -0.196 3.873 4.120 -0.085 0.000 0.248 1612 V C 2.747 178.747 176.094 -0.156 0.000 1.053 1612 V CA 2.058 64.223 62.300 -0.225 0.000 1.027 1612 V CB -0.938 30.792 31.823 -0.154 0.000 0.646 1612 V HN 0.525 nan 8.190 nan 0.000 0.447 1613 S N -0.264 115.330 115.700 -0.176 0.000 2.368 1613 S HA -0.203 4.217 4.470 -0.085 0.000 0.225 1613 S C 1.956 176.577 174.600 0.035 0.000 1.030 1613 S CA 2.003 60.150 58.200 -0.089 0.000 0.999 1613 S CB -0.363 62.780 63.200 -0.096 0.000 0.844 1613 S HN 0.428 nan 8.310 nan 0.000 0.459 1614 L N 0.869 122.118 121.223 0.043 0.000 2.017 1614 L HA 0.084 4.373 4.340 -0.085 0.000 0.208 1614 L C 2.041 179.095 176.870 0.306 0.000 1.073 1614 L CA 1.992 56.969 54.840 0.229 0.000 0.745 1614 L CB -0.878 41.217 42.059 0.059 0.000 0.894 1614 L HN 0.507 nan 8.230 nan 0.000 0.432 1615 F N -1.711 118.230 119.950 -0.015 0.000 2.407 1615 F HA -0.130 4.346 4.527 -0.085 0.000 0.299 1615 F C 2.060 177.825 175.800 -0.058 0.000 1.097 1615 F CA 0.747 58.713 58.000 -0.056 0.000 1.422 1615 F CB -0.212 38.727 39.000 -0.103 0.000 1.067 1615 F HN 0.119 nan 8.300 nan 0.000 0.539 1616 T N -2.515 112.111 114.554 0.120 0.000 3.033 1616 T HA -0.068 4.231 4.350 -0.085 0.000 0.248 1616 T C 1.668 176.334 174.700 -0.056 0.000 1.040 1616 T CA 0.553 62.666 62.100 0.021 0.000 1.133 1616 T CB -0.062 68.806 68.868 0.000 0.000 0.895 1616 T HN 0.334 nan 8.240 nan 0.000 0.465 1617 H N -1.292 117.643 119.070 -0.224 0.000 2.379 1617 H HA 0.046 4.551 4.556 -0.085 0.000 0.308 1617 H C 1.765 176.759 175.328 -0.557 0.000 1.047 1617 H CA 0.816 56.584 56.048 -0.467 0.000 1.371 1617 H CB 0.141 29.478 29.762 -0.708 0.000 1.449 1617 H HN 0.371 nan 8.280 nan 0.000 0.564 1618 W N 1.310 122.529 121.300 -0.135 0.000 2.488 1618 W HA 0.047 4.656 4.660 -0.086 0.000 0.304 1618 W C 2.655 178.822 176.519 -0.586 0.000 1.175 1618 W CA 0.010 57.119 57.345 -0.394 0.000 1.365 1618 W CB -0.328 29.039 29.460 -0.155 0.000 1.131 1618 W HN 0.038 nan 8.180 nan 0.000 0.520 1619 L N 0.329 121.545 121.223 -0.011 0.000 2.042 1619 L HA -0.168 4.122 4.340 -0.085 0.000 0.210 1619 L C -0.559 176.258 176.870 -0.087 0.000 1.076 1619 L CA 1.469 56.319 54.840 0.016 0.000 0.749 1619 L CB -2.411 39.684 42.059 0.061 0.000 0.893 1619 L HN -0.049 nan 8.230 nan 0.000 0.432 1620 P HA -0.081 nan 4.420 nan 0.000 0.229 1620 P C 1.333 178.534 177.300 -0.165 0.000 1.160 1620 P CA 1.016 64.043 63.100 -0.122 0.000 0.777 1620 P CB -0.057 31.567 31.700 -0.126 0.000 0.814 1621 R N -1.314 118.989 120.500 -0.329 0.000 2.237 1621 R HA 0.038 4.327 4.340 -0.085 0.000 0.219 1621 R C 1.361 177.625 176.300 -0.060 0.000 1.080 1621 R CA 0.931 56.857 56.100 -0.291 0.000 0.995 1621 R CB -0.537 29.494 30.300 -0.447 0.000 0.875 1621 R HN 0.305 nan 8.270 nan 0.000 0.462 1622 F N -0.610 119.374 119.950 0.057 0.000 2.693 1622 F HA 0.259 4.735 4.527 -0.085 0.000 0.303 1622 F C 1.300 177.121 175.800 0.034 0.000 1.097 1622 F CA -0.154 57.882 58.000 0.060 0.000 1.330 1622 F CB 0.974 40.025 39.000 0.085 0.000 1.067 1622 F HN 0.140 nan 8.300 nan 0.000 0.565 1623 G N 1.807 110.693 108.800 0.144 0.000 2.137 1623 G HA2 -0.304 3.605 3.960 -0.085 0.000 0.237 1623 G HA3 -0.304 3.605 3.960 -0.085 0.000 0.237 1623 G C -0.084 174.856 174.900 0.066 0.000 1.002 1623 G CA -0.383 44.766 45.100 0.082 0.000 0.702 1623 G HN 0.340 nan 8.290 nan 0.000 0.515 1624 I N 1.313 121.923 120.570 0.067 0.000 2.304 1624 I HA 0.296 4.415 4.170 -0.085 0.000 0.291 1624 I C 0.506 176.627 176.117 0.008 0.000 1.018 1624 I CA -0.618 60.705 61.300 0.038 0.000 1.260 1624 I CB 1.026 39.051 38.000 0.043 0.000 1.390 1624 I HN 0.139 nan 8.210 nan 0.000 0.475 1625 E N 5.527 125.744 120.200 0.028 0.000 2.338 1625 E HA 0.386 4.685 4.350 -0.085 0.000 0.272 1625 E C -1.010 175.623 176.600 0.056 0.000 1.029 1625 E CA -0.339 56.100 56.400 0.065 0.000 0.872 1625 E CB 1.586 31.354 29.700 0.114 0.000 1.015 1625 E HN 0.258 nan 8.360 nan 0.000 0.417 1626 V N 3.714 123.641 119.914 0.021 0.000 2.623 1626 V HA 0.236 4.305 4.120 -0.085 0.000 0.304 1626 V C -0.779 175.320 176.094 0.007 0.000 1.054 1626 V CA -0.895 61.362 62.300 -0.071 0.000 0.882 1626 V CB 2.056 33.820 31.823 -0.098 0.000 1.002 1626 V HN 0.666 nan 8.190 nan 0.000 0.424 1627 D N 4.269 124.667 120.400 -0.003 0.000 2.505 1627 D HA 0.509 5.098 4.640 -0.085 0.000 0.249 1627 D C -0.751 175.560 176.300 0.018 0.000 1.082 1627 D CA -0.321 53.709 54.000 0.050 0.000 0.839 1627 D CB 2.830 43.711 40.800 0.134 0.000 1.317 1627 D HN 0.300 nan 8.370 nan 0.000 0.497 1628 L N 3.545 124.794 121.223 0.045 0.000 2.275 1628 L HA 0.543 4.832 4.340 -0.085 0.000 0.288 1628 L C 0.362 177.267 176.870 0.059 0.000 1.046 1628 L CA -0.660 54.218 54.840 0.064 0.000 0.805 1628 L CB 0.737 42.841 42.059 0.076 0.000 1.193 1628 L HN 0.359 nan 8.230 nan 0.000 0.426 1629 I N -0.933 119.676 120.570 0.064 0.000 3.174 1629 I HA 0.483 4.602 4.170 -0.085 0.000 0.313 1629 I C -0.656 175.499 176.117 0.063 0.000 1.155 1629 I CA -0.956 60.381 61.300 0.061 0.000 0.977 1629 I CB 2.215 40.255 38.000 0.067 0.000 1.248 1629 I HN 0.315 nan 8.210 nan 0.000 0.453 1630 D N 1.942 122.375 120.400 0.054 0.000 2.435 1630 D HA 0.153 4.743 4.640 -0.085 0.000 0.230 1630 D C 1.082 177.414 176.300 0.054 0.000 1.215 1630 D CA 0.148 54.178 54.000 0.049 0.000 0.947 1630 D CB 0.581 41.403 40.800 0.036 0.000 1.048 1630 D HN 0.723 nan 8.370 nan 0.000 0.512 1631 T N -0.571 114.020 114.554 0.061 0.000 3.160 1631 T HA -0.106 4.193 4.350 -0.085 0.000 0.257 1631 T C 1.736 176.467 174.700 0.051 0.000 1.147 1631 T CA 0.502 62.640 62.100 0.063 0.000 1.064 1631 T CB -0.291 68.619 68.868 0.070 0.000 0.949 1631 T HN 0.247 nan 8.240 nan 0.000 0.526 1632 S N 0.418 116.143 115.700 0.042 0.000 2.515 1632 S HA -0.011 4.408 4.470 -0.085 0.000 0.231 1632 S C 0.430 175.045 174.600 0.024 0.000 0.987 1632 S CA 0.101 58.320 58.200 0.032 0.000 0.936 1632 S CB -0.294 62.918 63.200 0.020 0.000 0.766 1632 S HN 0.527 nan 8.310 nan 0.000 0.528 1633 D N 0.552 120.970 120.400 0.029 0.000 2.471 1633 D HA 0.283 4.872 4.640 -0.085 0.000 0.245 1633 D C 0.623 176.944 176.300 0.036 0.000 1.116 1633 D CA -0.608 53.407 54.000 0.026 0.000 0.853 1633 D CB 1.822 42.635 40.800 0.022 0.000 1.123 1633 D HN -0.076 nan 8.370 nan 0.000 0.540 1634 V N 4.427 124.359 119.914 0.030 0.000 2.490 1634 V HA -0.145 3.925 4.120 -0.085 0.000 0.250 1634 V C 1.721 177.838 176.094 0.037 0.000 1.061 1634 V CA 1.682 64.002 62.300 0.034 0.000 1.064 1634 V CB -0.095 31.738 31.823 0.017 0.000 0.670 1634 V HN 0.501 nan 8.190 nan 0.000 0.461 1635 E N 0.173 120.390 120.200 0.028 0.000 2.110 1635 E HA -0.210 4.089 4.350 -0.085 0.000 0.193 1635 E C 2.180 178.810 176.600 0.050 0.000 0.988 1635 E CA 1.167 57.585 56.400 0.029 0.000 0.804 1635 E CB -0.303 29.408 29.700 0.019 0.000 0.745 1635 E HN 0.633 nan 8.360 nan 0.000 0.458 1636 K N 0.575 121.008 120.400 0.055 0.000 2.103 1636 K HA -0.092 4.177 4.320 -0.085 0.000 0.207 1636 K C 2.244 178.908 176.600 0.106 0.000 1.048 1636 K CA 1.187 57.516 56.287 0.069 0.000 0.930 1636 K CB -0.140 32.394 32.500 0.058 0.000 0.716 1636 K HN -0.024 nan 8.250 nan 0.000 0.444 1637 V N 1.946 121.934 119.914 0.122 0.000 2.307 1637 V HA -0.243 3.826 4.120 -0.085 0.000 0.245 1637 V C 2.058 178.324 176.094 0.287 0.000 1.045 1637 V CA 1.689 64.109 62.300 0.200 0.000 1.024 1637 V CB -0.425 31.515 31.823 0.196 0.000 0.651 1637 V HN 0.291 nan 8.190 nan 0.000 0.449 1638 K N 0.551 121.051 120.400 0.167 0.000 2.103 1638 K HA -0.129 4.140 4.320 -0.085 0.000 0.207 1638 K C 2.210 178.914 176.600 0.173 0.000 1.048 1638 K CA 1.530 57.889 56.287 0.119 0.000 0.930 1638 K CB -0.379 32.121 32.500 0.001 0.000 0.716 1638 K HN 0.491 nan 8.250 nan 0.000 0.444 1639 A N 1.133 124.036 122.820 0.138 0.000 2.016 1639 A HA 0.062 4.331 4.320 -0.085 0.000 0.217 1639 A C 2.189 179.857 177.584 0.141 0.000 1.162 1639 A CA 1.303 53.409 52.037 0.116 0.000 0.662 1639 A CB -0.249 18.796 19.000 0.075 0.000 0.812 1639 A HN 0.293 nan 8.150 nan 0.000 0.450 1640 A N -1.921 121.006 122.820 0.179 0.000 2.169 1640 A HA 0.109 4.378 4.320 -0.085 0.000 0.212 1640 A C 0.836 178.544 177.584 0.207 0.000 1.153 1640 A CA -0.422 51.715 52.037 0.167 0.000 0.756 1640 A CB -0.373 18.721 19.000 0.157 0.000 0.813 1640 A HN 0.658 nan 8.150 nan 0.000 0.471 1641 W N 1.676 123.023 121.300 0.078 0.000 2.193 1641 W HA 0.240 4.848 4.660 -0.086 0.000 0.338 1641 W C -0.221 176.321 176.519 0.038 0.000 1.310 1641 W CA 0.777 58.172 57.345 0.084 0.000 1.243 1641 W CB 0.377 29.867 29.460 0.050 0.000 1.165 1641 W HN 0.131 nan 8.180 nan 0.000 0.566 1642 K N 4.269 124.627 120.400 -0.070 0.000 2.433 1642 K HA 0.265 4.534 4.320 -0.085 0.000 0.252 1642 K C -1.790 174.832 176.600 0.036 0.000 1.015 1642 K CA -1.550 54.709 56.287 -0.048 0.000 0.860 1642 K CB 1.919 34.257 32.500 -0.271 0.000 1.359 1642 K HN 0.021 nan 8.250 nan 0.000 0.452 1643 P HA -0.107 nan 4.420 nan 0.000 0.223 1643 P C 0.184 177.511 177.300 0.044 0.000 1.151 1643 P CA 1.091 64.241 63.100 0.083 0.000 0.787 1643 P CB 0.107 31.837 31.700 0.049 0.000 0.788 1644 N N -1.895 116.798 118.700 -0.013 0.000 2.276 1644 N HA 0.013 4.703 4.740 -0.085 0.000 0.212 1644 N C -0.424 175.066 175.510 -0.033 0.000 1.127 1644 N CA 0.188 53.232 53.050 -0.010 0.000 0.834 1644 N CB -1.044 37.437 38.487 -0.010 0.000 1.014 1644 N HN -0.129 nan 8.380 nan 0.000 0.491 1645 T N 1.650 116.125 114.554 -0.132 0.000 2.769 1645 T HA 0.149 4.448 4.350 -0.085 0.000 0.293 1645 T C 0.954 175.509 174.700 -0.242 0.000 0.931 1645 T CA -0.149 61.751 62.100 -0.334 0.000 1.139 1645 T CB 1.177 69.411 68.868 -1.056 0.000 0.881 1645 T HN 0.105 nan 8.240 nan 0.000 0.532 1646 K N 2.413 122.697 120.400 -0.193 0.000 2.380 1646 K HA 0.330 4.600 4.320 -0.085 0.000 0.198 1646 K C 0.249 176.785 176.600 -0.108 0.000 1.070 1646 K CA 0.147 56.380 56.287 -0.091 0.000 1.040 1646 K CB 0.763 33.238 32.500 -0.041 0.000 0.903 1646 K HN 0.559 nan 8.250 nan 0.000 0.549 1647 M N 0.668 120.150 119.600 -0.197 0.000 2.465 1647 M HA 0.265 4.694 4.480 -0.085 0.000 0.284 1647 M C -1.878 174.312 176.300 -0.183 0.000 1.212 1647 M CA -0.659 54.554 55.300 -0.144 0.000 0.910 1647 M CB 2.404 34.934 32.600 -0.116 0.000 1.725 1647 M HN -0.304 nan 8.290 nan 0.000 0.477 1648 V N 3.715 123.594 119.914 -0.058 0.000 2.495 1648 V HA 0.468 4.537 4.120 -0.085 0.000 0.298 1648 V C -1.543 174.584 176.094 0.056 0.000 1.031 1648 V CA -0.550 61.744 62.300 -0.010 0.000 0.871 1648 V CB 1.740 33.613 31.823 0.084 0.000 0.988 1648 V HN 0.763 nan 8.190 nan 0.000 0.432 1649 Y N 5.779 126.052 120.300 -0.046 0.000 2.341 1649 Y HA 0.778 5.279 4.550 -0.082 0.000 0.338 1649 Y C -0.898 175.052 175.900 0.082 0.000 0.965 1649 Y CA -0.756 57.363 58.100 0.033 0.000 1.108 1649 Y CB 1.399 39.899 38.460 0.066 0.000 1.180 1649 Y HN 0.519 nan 8.280 nan 0.000 0.458 1650 L N 5.492 126.505 121.223 -0.351 0.000 2.388 1650 L HA 0.563 4.853 4.340 -0.085 0.000 0.264 1650 L C -1.036 175.669 176.870 -0.275 0.000 0.998 1650 L CA -0.959 53.778 54.840 -0.171 0.000 0.817 1650 L CB 2.553 44.554 42.059 -0.096 0.000 1.338 1650 L HN 0.578 nan 8.230 nan 0.000 0.414 1651 E N 1.225 121.378 120.200 -0.079 0.000 2.187 1651 E HA 0.575 4.874 4.350 -0.085 0.000 0.268 1651 E C -1.253 175.324 176.600 -0.039 0.000 0.896 1651 E CA -0.394 55.962 56.400 -0.074 0.000 0.766 1651 E CB 2.437 32.115 29.700 -0.037 0.000 1.142 1651 E HN 0.389 nan 8.360 nan 0.000 0.408 1652 S N 3.279 118.965 115.700 -0.024 0.000 2.603 1652 S HA 0.412 4.832 4.470 -0.085 0.000 0.274 1652 S C -2.792 171.853 174.600 0.075 0.000 1.168 1652 S CA -1.403 56.815 58.200 0.029 0.000 0.963 1652 S CB 1.040 64.263 63.200 0.038 0.000 1.078 1652 S HN 0.179 nan 8.310 nan 0.000 0.477 1653 P HA 0.343 nan 4.420 nan 0.000 0.272 1653 P C -0.847 176.423 177.300 -0.049 0.000 1.223 1653 P CA -0.298 62.863 63.100 0.101 0.000 0.784 1653 P CB 0.445 32.241 31.700 0.160 0.000 0.923 1654 A N 2.302 125.086 122.820 -0.059 0.000 2.386 1654 A HA 0.233 4.502 4.320 -0.085 0.000 0.248 1654 A C 0.399 177.737 177.584 -0.410 0.000 1.082 1654 A CA -0.167 51.769 52.037 -0.168 0.000 0.789 1654 A CB -0.296 18.684 19.000 -0.032 0.000 1.025 1654 A HN 0.562 nan 8.150 nan 0.000 0.490 1655 N N 1.659 120.057 118.700 -0.504 0.000 2.414 1655 N HA 0.389 5.078 4.740 -0.085 0.000 0.256 1655 N C -2.245 173.229 175.510 -0.061 0.000 1.029 1655 N CA -2.090 50.677 53.050 -0.472 0.000 0.948 1655 N CB 1.474 39.733 38.487 -0.380 0.000 1.102 1655 N HN 0.281 nan 8.380 nan 0.000 0.496 1656 P HA 0.148 nan 4.420 nan 0.000 0.291 1656 P C 0.621 177.954 177.300 0.055 0.000 1.341 1656 P CA 0.215 63.318 63.100 0.005 0.000 0.999 1656 P CB 0.292 31.946 31.700 -0.076 0.000 1.501 1657 T N -4.046 110.516 114.554 0.013 0.000 3.085 1657 T HA -0.007 4.293 4.350 -0.085 0.000 0.263 1657 T C 1.020 175.833 174.700 0.189 0.000 1.127 1657 T CA 0.458 62.617 62.100 0.098 0.000 1.103 1657 T CB -1.568 67.352 68.868 0.087 0.000 0.921 1657 T HN 0.051 nan 8.240 nan 0.000 0.510 1658 C N 0.817 120.201 119.300 0.139 0.000 4.417 1658 C HA -0.126 4.283 4.460 -0.085 0.000 0.284 1658 C C 0.623 175.806 174.990 0.322 0.000 1.379 1658 C CA 0.237 59.341 59.018 0.144 0.000 1.918 1658 C CB -2.756 24.952 27.740 -0.054 0.000 1.280 1658 C HN 0.889 nan 8.230 nan 0.000 0.783 1659 K N 0.933 121.502 120.400 0.282 0.000 2.472 1659 K HA 0.332 4.601 4.320 -0.085 0.000 0.280 1659 K C -0.158 176.562 176.600 0.200 0.000 1.028 1659 K CA 0.345 56.784 56.287 0.253 0.000 1.045 1659 K CB 0.495 33.069 32.500 0.123 0.000 0.902 1659 K HN 0.289 nan 8.250 nan 0.000 0.478 1660 V N 4.744 124.786 119.914 0.215 0.000 2.407 1660 V HA 0.245 4.314 4.120 -0.085 0.000 0.278 1660 V C -0.387 175.763 176.094 0.094 0.000 1.037 1660 V CA -0.564 61.837 62.300 0.169 0.000 0.900 1660 V CB 1.497 33.456 31.823 0.227 0.000 0.983 1660 V HN 0.895 nan 8.190 nan 0.000 0.459 1661 S N 2.721 118.465 115.700 0.073 0.000 2.565 1661 S HA 0.298 4.717 4.470 -0.085 0.000 0.290 1661 S C -0.322 174.304 174.600 0.044 0.000 1.150 1661 S CA -0.585 57.646 58.200 0.051 0.000 1.058 1661 S CB 1.416 64.641 63.200 0.042 0.000 1.032 1661 S HN 0.861 nan 8.310 nan 0.000 0.510 1662 D N 1.935 122.356 120.400 0.035 0.000 2.435 1662 D HA 0.169 4.758 4.640 -0.085 0.000 0.230 1662 D C 0.811 177.123 176.300 0.020 0.000 1.215 1662 D CA -0.199 53.816 54.000 0.025 0.000 0.947 1662 D CB -0.198 40.613 40.800 0.019 0.000 1.048 1662 D HN 0.448 nan 8.370 nan 0.000 0.512 1663 I N 2.838 123.417 120.570 0.016 0.000 2.252 1663 I HA -0.204 3.915 4.170 -0.085 0.000 0.245 1663 I C 2.401 178.520 176.117 0.004 0.000 1.102 1663 I CA 0.705 62.010 61.300 0.009 0.000 1.385 1663 I CB -0.018 37.983 38.000 0.002 0.000 1.064 1663 I HN 0.338 nan 8.210 nan 0.000 0.414 1664 K N 0.905 121.305 120.400 -0.000 0.000 2.057 1664 K HA -0.135 4.134 4.320 -0.085 0.000 0.207 1664 K C 2.132 178.726 176.600 -0.010 0.000 1.049 1664 K CA 1.537 57.819 56.287 -0.009 0.000 0.931 1664 K CB -0.359 32.133 32.500 -0.012 0.000 0.714 1664 K HN 0.389 nan 8.250 nan 0.000 0.440 1665 G N 1.021 109.818 108.800 -0.005 0.000 2.402 1665 G HA2 -0.217 3.692 3.960 -0.085 0.000 0.216 1665 G HA3 -0.217 3.692 3.960 -0.085 0.000 0.216 1665 G C 1.479 176.377 174.900 -0.003 0.000 1.162 1665 G CA 0.772 45.868 45.100 -0.007 0.000 0.777 1665 G HN 0.212 nan 8.290 nan 0.000 0.539 1666 I N 1.405 121.983 120.570 0.013 0.000 2.179 1666 I HA -0.174 3.946 4.170 -0.085 0.000 0.242 1666 I C 3.320 179.457 176.117 0.033 0.000 1.088 1666 I CA 0.923 62.243 61.300 0.034 0.000 1.357 1666 I CB -0.243 37.790 38.000 0.056 0.000 1.051 1666 I HN 0.242 nan 8.210 nan 0.000 0.409 1667 A N 0.525 123.358 122.820 0.023 0.000 1.892 1667 A HA -0.205 4.064 4.320 -0.085 0.000 0.218 1667 A C 2.452 180.053 177.584 0.028 0.000 1.188 1667 A CA 2.091 54.143 52.037 0.025 0.000 0.631 1667 A CB -1.119 17.883 19.000 0.003 0.000 0.822 1667 A HN 0.253 nan 8.150 nan 0.000 0.447 1668 V N -0.371 119.542 119.914 -0.001 0.000 2.282 1668 V HA -0.281 3.788 4.120 -0.085 0.000 0.249 1668 V C 2.599 178.685 176.094 -0.013 0.000 1.057 1668 V CA 2.178 64.474 62.300 -0.007 0.000 1.032 1668 V CB -0.831 30.974 31.823 -0.029 0.000 0.645 1668 V HN 0.405 nan 8.190 nan 0.000 0.447 1669 V N -1.148 118.725 119.914 -0.067 0.000 2.332 1669 V HA -0.314 3.756 4.120 -0.085 0.000 0.248 1669 V C 2.525 178.484 176.094 -0.225 0.000 1.055 1669 V CA 2.279 64.459 62.300 -0.199 0.000 1.038 1669 V CB -0.820 30.857 31.823 -0.245 0.000 0.651 1669 V HN 0.653 nan 8.190 nan 0.000 0.450 1670 C N -0.630 118.651 119.300 -0.033 0.000 2.436 1670 C HA -0.202 4.207 4.460 -0.085 0.000 0.277 1670 C C 2.736 177.776 174.990 0.083 0.000 1.241 1670 C CA 1.372 60.458 59.018 0.112 0.000 1.721 1670 C CB -1.380 26.459 27.740 0.166 0.000 2.043 1670 C HN 0.702 nan 8.230 nan 0.000 0.472 1671 H N 1.018 120.078 119.070 -0.016 0.000 2.353 1671 H HA -0.123 4.383 4.556 -0.084 0.000 0.300 1671 H C 2.037 177.343 175.328 -0.036 0.000 1.090 1671 H CA 1.930 57.966 56.048 -0.020 0.000 1.327 1671 H CB -0.223 29.524 29.762 -0.025 0.000 1.383 1671 H HN 0.590 nan 8.280 nan 0.000 0.508 1672 E N 0.118 120.307 120.200 -0.019 0.000 2.110 1672 E HA -0.121 4.178 4.350 -0.085 0.000 0.193 1672 E C 2.080 178.595 176.600 -0.142 0.000 0.988 1672 E CA 0.722 57.066 56.400 -0.094 0.000 0.804 1672 E CB 0.128 29.775 29.700 -0.088 0.000 0.745 1672 E HN 0.447 nan 8.360 nan 0.000 0.458 1673 R N -0.859 119.550 120.500 -0.151 0.000 2.397 1673 R HA 0.141 4.430 4.340 -0.085 0.000 0.241 1673 R C 0.517 176.882 176.300 0.108 0.000 0.914 1673 R CA 0.446 56.489 56.100 -0.095 0.000 1.071 1673 R CB 1.147 31.198 30.300 -0.415 0.000 1.116 1673 R HN 0.166 nan 8.270 nan 0.000 0.524 1674 G N 1.168 109.998 108.800 0.051 0.000 2.248 1674 G HA2 -0.233 3.676 3.960 -0.085 0.000 0.263 1674 G HA3 -0.233 3.676 3.960 -0.085 0.000 0.263 1674 G C -0.216 174.761 174.900 0.128 0.000 1.082 1674 G CA 0.142 45.276 45.100 0.057 0.000 0.863 1674 G HN 0.461 nan 8.290 nan 0.000 0.495 1675 A N -0.314 122.618 122.820 0.187 0.000 2.380 1675 A HA 0.908 5.177 4.320 -0.085 0.000 0.315 1675 A C 0.405 178.033 177.584 0.073 0.000 1.101 1675 A CA -0.745 51.389 52.037 0.161 0.000 0.771 1675 A CB 1.122 20.311 19.000 0.316 0.000 1.287 1675 A HN 0.459 nan 8.150 nan 0.000 0.436 1676 R N 0.133 120.622 120.500 -0.018 0.000 2.390 1676 R HA 0.359 4.648 4.340 -0.085 0.000 0.291 1676 R C -1.108 175.174 176.300 -0.030 0.000 1.070 1676 R CA -0.497 55.555 56.100 -0.079 0.000 1.014 1676 R CB 0.867 31.026 30.300 -0.233 0.000 1.007 1676 R HN 0.517 nan 8.270 nan 0.000 0.466 1677 L N 4.033 125.242 121.223 -0.023 0.000 2.287 1677 L HA 0.341 4.630 4.340 -0.085 0.000 0.287 1677 L C -1.094 175.748 176.870 -0.047 0.000 1.022 1677 L CA -0.405 54.429 54.840 -0.011 0.000 0.814 1677 L CB 1.757 43.823 42.059 0.012 0.000 1.217 1677 L HN 0.266 nan 8.230 nan 0.000 0.420 1678 V N 5.884 125.765 119.914 -0.055 0.000 2.448 1678 V HA 0.606 4.675 4.120 -0.085 0.000 0.295 1678 V C -0.516 175.422 176.094 -0.259 0.000 1.025 1678 V CA -0.667 61.580 62.300 -0.088 0.000 0.859 1678 V CB 1.869 33.724 31.823 0.053 0.000 0.988 1678 V HN 0.500 nan 8.190 nan 0.000 0.431 1679 V N 3.249 123.018 119.914 -0.242 0.000 2.483 1679 V HA 0.400 4.469 4.120 -0.085 0.000 0.297 1679 V C -0.599 175.320 176.094 -0.292 0.000 1.027 1679 V CA -0.600 61.526 62.300 -0.289 0.000 0.855 1679 V CB 2.015 33.744 31.823 -0.156 0.000 0.995 1679 V HN 0.892 nan 8.190 nan 0.000 0.424 1680 D N 4.180 124.370 120.400 -0.350 0.000 2.365 1680 D HA 0.450 5.039 4.640 -0.085 0.000 0.237 1680 D C 0.514 176.716 176.300 -0.162 0.000 1.190 1680 D CA -0.150 53.720 54.000 -0.216 0.000 0.867 1680 D CB 1.856 42.595 40.800 -0.101 0.000 1.050 1680 D HN 0.654 nan 8.370 nan 0.000 0.491 1681 A N 3.273 125.939 122.820 -0.257 0.000 2.545 1681 A HA 0.127 4.396 4.320 -0.085 0.000 0.277 1681 A C 1.818 179.482 177.584 0.134 0.000 1.301 1681 A CA -0.219 51.760 52.037 -0.097 0.000 0.935 1681 A CB -0.077 18.870 19.000 -0.088 0.000 1.093 1681 A HN 0.566 nan 8.150 nan 0.000 0.519 1682 T N 0.058 114.709 114.554 0.161 0.000 2.620 1682 T HA -0.230 4.069 4.350 -0.085 0.000 0.267 1682 T C 1.313 176.319 174.700 0.509 0.000 1.044 1682 T CA 2.042 64.370 62.100 0.381 0.000 1.161 1682 T CB -0.454 68.582 68.868 0.280 0.000 0.862 1682 T HN 0.471 nan 8.240 nan 0.000 0.438 1683 F N 1.369 121.441 119.950 0.203 0.000 2.408 1683 F HA -0.023 4.452 4.527 -0.085 0.000 0.300 1683 F C 2.410 178.316 175.800 0.175 0.000 1.090 1683 F CA 0.740 58.884 58.000 0.239 0.000 1.427 1683 F CB -0.510 38.583 39.000 0.155 0.000 1.070 1683 F HN 0.190 nan 8.300 nan 0.000 0.549 1684 T N -2.192 112.522 114.554 0.266 0.000 2.964 1684 T HA 0.176 4.475 4.350 -0.085 0.000 0.250 1684 T C 0.300 175.023 174.700 0.040 0.000 0.982 1684 T CA 0.679 62.861 62.100 0.136 0.000 0.959 1684 T CB -0.011 68.978 68.868 0.202 0.000 1.141 1684 T HN 0.216 nan 8.240 nan 0.000 0.494 1685 S N 1.434 117.198 115.700 0.106 0.000 3.425 1685 S HA -0.065 4.354 4.470 -0.085 0.000 0.815 1685 S C -2.722 171.876 174.600 -0.002 0.000 1.102 1685 S CA -0.144 58.052 58.200 -0.007 0.000 1.114 1685 S CB -1.209 61.866 63.200 -0.208 0.000 0.716 1685 S HN 0.158 nan 8.310 nan 0.000 0.321 1686 P HA 0.161 nan 4.420 nan 0.000 0.237 1686 P C 1.450 178.668 177.300 -0.137 0.000 1.178 1686 P CA 0.979 64.041 63.100 -0.063 0.000 0.766 1686 P CB -0.629 30.996 31.700 -0.125 0.000 0.876 1687 C N -1.798 117.324 119.300 -0.297 0.000 2.435 1687 C HA 0.022 4.431 4.460 -0.085 0.000 0.279 1687 C C 2.348 177.122 174.990 -0.360 0.000 1.321 1687 C CA 0.716 59.456 59.018 -0.462 0.000 1.752 1687 C CB -1.881 25.344 27.740 -0.858 0.000 1.959 1687 C HN 0.206 nan 8.230 nan 0.000 0.500 1688 F N -1.693 118.224 119.950 -0.054 0.000 2.711 1688 F HA 0.360 5.060 4.527 0.289 0.000 0.296 1688 F C 0.395 176.163 175.800 -0.054 0.000 1.096 1688 F CA -0.413 57.541 58.000 -0.078 0.000 1.280 1688 F CB 0.385 39.316 39.000 -0.116 0.000 1.060 1688 F HN -0.036 nan 8.300 nan 0.000 0.608 1689 L N 1.367 122.683 121.223 0.154 0.000 2.376 1689 L HA 0.432 4.722 4.340 -0.085 0.000 0.275 1689 L C -0.998 175.926 176.870 0.090 0.000 0.987 1689 L CA -0.531 54.374 54.840 0.109 0.000 0.828 1689 L CB 1.423 43.554 42.059 0.120 0.000 1.249 1689 L HN -0.091 nan 8.230 nan 0.000 0.409 1690 K N 6.608 127.042 120.400 0.058 0.000 2.540 1690 K HA 0.392 4.662 4.320 -0.085 0.000 0.218 1690 K C -2.041 174.576 176.600 0.027 0.000 1.017 1690 K CA -1.461 54.853 56.287 0.046 0.000 1.029 1690 K CB 1.324 33.840 32.500 0.027 0.000 1.348 1690 K HN 0.350 nan 8.250 nan 0.000 0.508 1691 P HA -0.166 nan 4.420 nan 0.000 0.216 1691 P C 0.862 178.160 177.300 -0.004 0.000 1.150 1691 P CA 1.070 64.170 63.100 -0.001 0.000 0.837 1691 P CB 0.248 31.933 31.700 -0.025 0.000 0.786 1692 L N -0.891 120.333 121.223 0.003 0.000 2.131 1692 L HA -0.147 4.142 4.340 -0.085 0.000 0.210 1692 L C 2.269 179.136 176.870 -0.006 0.000 1.092 1692 L CA 1.344 56.184 54.840 -0.001 0.000 0.759 1692 L CB -0.883 41.180 42.059 0.006 0.000 0.903 1692 L HN -0.050 nan 8.230 nan 0.000 0.435 1693 E N 0.231 120.429 120.200 -0.003 0.000 2.338 1693 E HA -0.088 4.211 4.350 -0.085 0.000 0.197 1693 E C 1.813 178.406 176.600 -0.012 0.000 1.007 1693 E CA 0.655 57.050 56.400 -0.007 0.000 0.849 1693 E CB 0.097 29.796 29.700 -0.002 0.000 0.774 1693 E HN 0.434 nan 8.360 nan 0.000 0.506 1694 L N -1.877 119.339 121.223 -0.011 0.000 2.640 1694 L HA 0.324 4.613 4.340 -0.085 0.000 0.230 1694 L C 1.272 178.129 176.870 -0.021 0.000 1.123 1694 L CA 0.345 55.176 54.840 -0.015 0.000 0.900 1694 L CB 0.556 42.610 42.059 -0.007 0.000 1.146 1694 L HN 0.307 nan 8.230 nan 0.000 0.484 1695 G N -0.217 108.568 108.800 -0.024 0.000 2.231 1695 G HA2 -0.217 3.693 3.960 -0.085 0.000 0.206 1695 G HA3 -0.217 3.693 3.960 -0.085 0.000 0.206 1695 G C 0.471 175.362 174.900 -0.014 0.000 0.996 1695 G CA -0.170 44.912 45.100 -0.030 0.000 0.645 1695 G HN 0.408 nan 8.290 nan 0.000 0.498 1696 A N 0.437 123.249 122.820 -0.014 0.000 2.466 1696 A HA 0.514 4.783 4.320 -0.085 0.000 0.238 1696 A C 1.149 178.724 177.584 -0.016 0.000 1.074 1696 A CA 1.041 53.068 52.037 -0.016 0.000 0.774 1696 A CB 0.266 19.249 19.000 -0.028 0.000 1.015 1696 A HN 0.222 nan 8.150 nan 0.000 0.498 1697 D N 0.164 120.548 120.400 -0.027 0.000 2.277 1697 D HA 0.164 4.753 4.640 -0.085 0.000 0.209 1697 D C 0.129 176.410 176.300 -0.031 0.000 0.970 1697 D CA 1.252 55.229 54.000 -0.038 0.000 0.874 1697 D CB 0.251 41.003 40.800 -0.079 0.000 0.982 1697 D HN 0.509 nan 8.370 nan 0.000 0.504 1698 I N 0.338 120.890 120.570 -0.030 0.000 2.619 1698 I HA 0.442 4.561 4.170 -0.085 0.000 0.292 1698 I C -1.092 175.017 176.117 -0.013 0.000 1.100 1698 I CA -0.899 60.402 61.300 0.002 0.000 1.043 1698 I CB 2.550 40.565 38.000 0.026 0.000 1.239 1698 I HN -0.233 nan 8.210 nan 0.000 0.420 1699 A N 6.681 129.505 122.820 0.006 0.000 2.343 1699 A HA 0.909 5.178 4.320 -0.085 0.000 0.308 1699 A C -1.154 176.409 177.584 -0.036 0.000 1.092 1699 A CA -0.424 51.590 52.037 -0.038 0.000 0.751 1699 A CB 1.262 20.259 19.000 -0.004 0.000 1.203 1699 A HN 0.604 nan 8.150 nan 0.000 0.452 1700 L N -0.203 120.920 121.223 -0.167 0.000 2.376 1700 L HA 0.844 5.133 4.340 -0.085 0.000 0.258 1700 L C -0.703 175.951 176.870 -0.361 0.000 1.013 1700 L CA -0.529 54.255 54.840 -0.094 0.000 0.822 1700 L CB 1.750 43.829 42.059 0.033 0.000 1.388 1700 L HN 0.649 nan 8.230 nan 0.000 0.413 1701 H N -0.405 118.737 119.070 0.120 0.000 2.930 1701 H HA 0.355 4.858 4.556 -0.089 0.000 0.371 1701 H C -1.116 174.288 175.328 0.126 0.000 1.169 1701 H CA -0.780 55.343 56.048 0.125 0.000 1.157 1701 H CB 2.342 32.186 29.762 0.137 0.000 1.789 1701 H HN 0.804 nan 8.280 nan 0.000 0.547 1702 S N 1.650 117.473 115.700 0.205 0.000 2.443 1702 S HA 0.074 4.493 4.470 -0.085 0.000 0.284 1702 S C 1.255 175.959 174.600 0.173 0.000 1.206 1702 S CA -0.578 57.704 58.200 0.137 0.000 1.074 1702 S CB -0.107 63.112 63.200 0.032 0.000 0.963 1702 S HN 0.419 nan 8.310 nan 0.000 0.501 1703 V N 5.499 125.522 119.914 0.183 0.000 2.913 1703 V HA -0.098 3.972 4.120 -0.085 0.000 0.260 1703 V C 2.313 178.449 176.094 0.070 0.000 1.098 1703 V CA 1.801 64.196 62.300 0.159 0.000 1.121 1703 V CB -0.913 31.020 31.823 0.184 0.000 0.714 1703 V HN 0.908 nan 8.190 nan 0.000 0.487 1704 S N -0.233 115.492 115.700 0.041 0.000 2.440 1704 S HA -0.166 4.253 4.470 -0.085 0.000 0.240 1704 S C 1.576 176.155 174.600 -0.036 0.000 1.014 1704 S CA 1.145 59.343 58.200 -0.002 0.000 0.980 1704 S CB -0.135 63.057 63.200 -0.015 0.000 0.775 1704 S HN 0.554 nan 8.310 nan 0.000 0.499 1705 K N 0.826 121.204 120.400 -0.036 0.000 3.730 1705 K HA 0.277 4.546 4.320 -0.085 0.000 0.166 1705 K C 1.560 178.076 176.600 -0.140 0.000 1.148 1705 K CA 0.285 56.479 56.287 -0.155 0.000 1.638 1705 K CB -1.184 31.217 32.500 -0.164 0.000 2.264 1705 K HN 0.242 nan 8.250 nan 0.000 0.518 1706 Y N 1.196 121.472 120.300 -0.039 0.000 2.242 1706 Y HA -0.057 4.462 4.550 -0.052 0.000 0.291 1706 Y C 2.413 178.307 175.900 -0.010 0.000 1.137 1706 Y CA 0.868 58.932 58.100 -0.061 0.000 1.181 1706 Y CB -0.395 38.012 38.460 -0.089 0.000 0.989 1706 Y HN 0.130 nan 8.280 nan 0.000 0.527 1707 I N -0.016 120.647 120.570 0.156 0.000 2.127 1707 I HA -0.352 3.768 4.170 -0.085 0.000 0.241 1707 I C 2.257 178.450 176.117 0.126 0.000 1.075 1707 I CA 1.959 63.327 61.300 0.114 0.000 1.334 1707 I CB -0.395 37.673 38.000 0.113 0.000 1.040 1707 I HN 0.247 nan 8.210 nan 0.000 0.405 1708 N N 0.483 119.242 118.700 0.098 0.000 2.135 1708 N HA -0.104 4.586 4.740 -0.085 0.000 0.186 1708 N C 1.495 177.118 175.510 0.188 0.000 1.027 1708 N CA 1.848 54.951 53.050 0.087 0.000 0.849 1708 N CB -0.066 38.433 38.487 0.019 0.000 1.002 1708 N HN 0.377 nan 8.380 nan 0.000 0.425 1709 G N -1.388 107.474 108.800 0.102 0.000 2.189 1709 G HA2 -0.318 3.591 3.960 -0.085 0.000 0.267 1709 G HA3 -0.318 3.591 3.960 -0.085 0.000 0.267 1709 G C 0.430 175.267 174.900 -0.105 0.000 0.975 1709 G CA 1.096 46.216 45.100 0.032 0.000 0.644 1709 G HN 0.623 nan 8.290 nan 0.000 0.537 1710 H N -0.530 118.539 119.070 -0.001 0.000 2.672 1710 H HA 0.447 4.954 4.556 -0.082 0.000 0.277 1710 H C 1.911 177.232 175.328 -0.012 0.000 1.074 1710 H CA 0.604 56.651 56.048 -0.002 0.000 1.173 1710 H CB 0.550 30.309 29.762 -0.005 0.000 1.558 1710 H HN 1.142 nan 8.280 nan 0.000 0.539 1711 G N 1.854 110.682 108.800 0.047 0.000 2.225 1711 G HA2 -0.322 3.587 3.960 -0.085 0.000 0.267 1711 G HA3 -0.322 3.587 3.960 -0.085 0.000 0.267 1711 G C 0.265 175.180 174.900 0.026 0.000 1.024 1711 G CA 0.890 45.998 45.100 0.013 0.000 0.784 1711 G HN 0.612 nan 8.290 nan 0.000 0.507 1712 D N -1.655 118.769 120.400 0.039 0.000 2.556 1712 D HA 0.400 4.989 4.640 -0.085 0.000 0.237 1712 D C 0.263 176.571 176.300 0.013 0.000 1.296 1712 D CA -0.055 53.961 54.000 0.028 0.000 0.807 1712 D CB 0.547 41.370 40.800 0.038 0.000 1.084 1712 D HN 0.480 nan 8.370 nan 0.000 0.510 1713 V N 0.735 120.652 119.914 0.004 0.000 2.851 1713 V HA 0.386 4.455 4.120 -0.085 0.000 0.307 1713 V C -0.696 175.394 176.094 -0.008 0.000 1.129 1713 V CA -0.831 61.463 62.300 -0.010 0.000 0.932 1713 V CB 2.638 34.438 31.823 -0.038 0.000 1.024 1713 V HN 0.061 nan 8.190 nan 0.000 0.426 1714 I N 3.088 123.657 120.570 -0.001 0.000 2.354 1714 I HA 0.841 4.960 4.170 -0.085 0.000 0.292 1714 I C 0.571 176.700 176.117 0.020 0.000 0.989 1714 I CA -0.083 61.224 61.300 0.010 0.000 1.188 1714 I CB 1.822 39.833 38.000 0.019 0.000 1.342 1714 I HN 0.811 nan 8.210 nan 0.000 0.457 1715 G N 3.339 112.163 108.800 0.039 0.000 2.646 1715 G HA2 0.669 4.578 3.960 -0.085 0.000 0.291 1715 G HA3 0.669 4.578 3.960 -0.085 0.000 0.291 1715 G C -1.435 173.552 174.900 0.145 0.000 1.445 1715 G CA -0.587 44.558 45.100 0.075 0.000 0.814 1715 G HN 0.803 nan 8.290 nan 0.000 0.495 1716 G N -1.786 107.163 108.800 0.248 0.000 2.605 1716 G HA2 0.818 4.727 3.960 -0.085 0.000 0.296 1716 G HA3 0.818 4.727 3.960 -0.085 0.000 0.296 1716 G C -1.705 173.486 174.900 0.484 0.000 1.304 1716 G CA -0.658 44.632 45.100 0.317 0.000 0.941 1716 G HN 1.539 nan 8.290 nan 0.000 0.475 1717 V N -0.330 119.861 119.914 0.462 0.000 2.932 1717 V HA 0.819 4.888 4.120 -0.085 0.000 0.307 1717 V C -0.915 175.420 176.094 0.403 0.000 1.147 1717 V CA -0.542 62.042 62.300 0.473 0.000 0.951 1717 V CB 2.229 34.268 31.823 0.360 0.000 1.031 1717 V HN 1.028 nan 8.190 nan 0.000 0.426 1718 S N 3.677 119.635 115.700 0.430 0.000 2.538 1718 S HA 0.838 5.257 4.470 -0.085 0.000 0.288 1718 S C -0.859 173.877 174.600 0.227 0.000 1.108 1718 S CA -0.355 58.029 58.200 0.307 0.000 0.971 1718 S CB 1.828 65.231 63.200 0.338 0.000 1.041 1718 S HN 0.904 nan 8.310 nan 0.000 0.483 1719 S N 2.395 118.190 115.700 0.158 0.000 2.521 1719 S HA 0.828 5.247 4.470 -0.085 0.000 0.295 1719 S C -0.614 174.042 174.600 0.093 0.000 1.098 1719 S CA -0.637 57.627 58.200 0.108 0.000 0.999 1719 S CB 1.645 64.891 63.200 0.077 0.000 1.034 1719 S HN 0.985 nan 8.310 nan 0.000 0.483 1720 A N 1.791 124.663 122.820 0.087 0.000 2.337 1720 A HA 0.655 4.925 4.320 -0.085 0.000 0.331 1720 A C 0.799 178.410 177.584 0.045 0.000 1.137 1720 A CA -0.724 51.358 52.037 0.075 0.000 0.807 1720 A CB 1.032 20.100 19.000 0.112 0.000 1.250 1720 A HN 0.841 nan 8.150 nan 0.000 0.468 1721 K N 0.201 120.618 120.400 0.028 0.000 2.155 1721 K HA -0.026 4.243 4.320 -0.085 0.000 0.203 1721 K C 0.800 177.413 176.600 0.023 0.000 1.052 1721 K CA 1.742 58.040 56.287 0.018 0.000 0.948 1721 K CB -0.029 32.476 32.500 0.008 0.000 0.728 1721 K HN 0.846 nan 8.250 nan 0.000 0.448 1722 T N -3.436 111.138 114.554 0.032 0.000 2.888 1722 T HA 0.576 4.875 4.350 -0.085 0.000 0.284 1722 T C 1.004 175.734 174.700 0.049 0.000 1.017 1722 T CA -0.488 61.633 62.100 0.035 0.000 1.022 1722 T CB 1.849 70.738 68.868 0.034 0.000 1.013 1722 T HN 0.056 nan 8.240 nan 0.000 0.465 1723 A N 1.991 124.835 122.820 0.039 0.000 1.908 1723 A HA -0.125 4.144 4.320 -0.085 0.000 0.218 1723 A C 2.263 179.882 177.584 0.059 0.000 1.181 1723 A CA 1.673 53.735 52.037 0.041 0.000 0.627 1723 A CB -0.816 18.199 19.000 0.025 0.000 0.818 1723 A HN 0.970 nan 8.150 nan 0.000 0.445 1724 E N 0.532 120.768 120.200 0.060 0.000 2.058 1724 E HA -0.255 4.045 4.350 -0.085 0.000 0.194 1724 E C 1.226 177.905 176.600 0.133 0.000 0.997 1724 E CA 1.587 58.032 56.400 0.076 0.000 0.801 1724 E CB -0.799 28.940 29.700 0.066 0.000 0.746 1724 E HN 0.560 nan 8.360 nan 0.000 0.450 1725 D N 0.796 121.294 120.400 0.164 0.000 2.117 1725 D HA -0.083 4.506 4.640 -0.085 0.000 0.198 1725 D C 2.001 178.476 176.300 0.291 0.000 0.982 1725 D CA 0.542 54.717 54.000 0.292 0.000 0.828 1725 D CB -0.298 40.613 40.800 0.185 0.000 0.967 1725 D HN 0.142 nan 8.370 nan 0.000 0.464 1726 I N 0.624 121.304 120.570 0.184 0.000 2.315 1726 I HA -0.137 3.982 4.170 -0.085 0.000 0.248 1726 I C 2.003 178.207 176.117 0.144 0.000 1.117 1726 I CA 0.833 62.231 61.300 0.163 0.000 1.404 1726 I CB -0.294 37.773 38.000 0.111 0.000 1.071 1726 I HN -0.066 nan 8.210 nan 0.000 0.419 1727 A N -0.789 122.102 122.820 0.119 0.000 1.908 1727 A HA -0.225 4.044 4.320 -0.085 0.000 0.218 1727 A C 2.352 180.020 177.584 0.141 0.000 1.181 1727 A CA 2.489 54.593 52.037 0.111 0.000 0.627 1727 A CB -1.367 17.678 19.000 0.074 0.000 0.818 1727 A HN 0.453 nan 8.150 nan 0.000 0.445 1728 T N 0.230 114.854 114.554 0.117 0.000 2.708 1728 T HA -0.087 4.213 4.350 -0.085 0.000 0.266 1728 T C 1.794 176.536 174.700 0.069 0.000 1.037 1728 T CA 1.493 63.625 62.100 0.053 0.000 1.146 1728 T CB -0.408 68.431 68.868 -0.049 0.000 0.865 1728 T HN 0.424 nan 8.240 nan 0.000 0.435 1729 I N 0.737 121.361 120.570 0.090 0.000 2.208 1729 I HA -0.209 3.910 4.170 -0.085 0.000 0.245 1729 I C 2.486 178.760 176.117 0.262 0.000 1.097 1729 I CA 1.450 62.848 61.300 0.163 0.000 1.363 1729 I CB -0.251 37.908 38.000 0.265 0.000 1.051 1729 I HN 0.195 nan 8.210 nan 0.000 0.413 1730 K N -0.229 120.294 120.400 0.206 0.000 2.217 1730 K HA -0.138 4.131 4.320 -0.085 0.000 0.202 1730 K C 2.042 178.744 176.600 0.170 0.000 1.051 1730 K CA 1.139 57.517 56.287 0.153 0.000 0.952 1730 K CB -0.141 32.413 32.500 0.089 0.000 0.736 1730 K HN 0.185 nan 8.250 nan 0.000 0.453 1731 F N 0.422 120.419 119.950 0.077 0.000 2.163 1731 F HA -0.203 4.273 4.527 -0.085 0.000 0.297 1731 F C 2.203 178.048 175.800 0.075 0.000 1.094 1731 F CA 1.128 59.163 58.000 0.058 0.000 1.290 1731 F CB -0.199 38.824 39.000 0.038 0.000 1.017 1731 F HN -0.006 nan 8.300 nan 0.000 0.483 1732 Y N 0.907 121.298 120.300 0.152 0.000 2.145 1732 Y HA -0.236 4.263 4.550 -0.084 0.000 0.286 1732 Y C 2.817 178.736 175.900 0.032 0.000 1.145 1732 Y CA 2.098 60.233 58.100 0.057 0.000 1.148 1732 Y CB -0.494 37.984 38.460 0.030 0.000 0.981 1732 Y HN -0.030 nan 8.280 nan 0.000 0.507 1733 R N 0.899 121.572 120.500 0.289 0.000 2.091 1733 R HA -0.244 4.045 4.340 -0.085 0.000 0.238 1733 R C 2.443 178.744 176.300 0.002 0.000 1.136 1733 R CA 2.016 58.248 56.100 0.220 0.000 0.959 1733 R CB -0.350 30.073 30.300 0.205 0.000 0.856 1733 R HN 0.365 nan 8.270 nan 0.000 0.437 1734 K N -0.088 120.266 120.400 -0.077 0.000 2.113 1734 K HA -0.189 4.081 4.320 -0.085 0.000 0.208 1734 K C 0.859 177.350 176.600 -0.181 0.000 1.047 1734 K CA 2.215 58.416 56.287 -0.144 0.000 0.928 1734 K CB 0.044 32.383 32.500 -0.267 0.000 0.716 1734 K HN 0.202 nan 8.250 nan 0.000 0.446 1735 D N -0.683 119.553 120.400 -0.273 0.000 2.324 1735 D HA 0.055 4.645 4.640 -0.085 0.000 0.212 1735 D C 1.631 177.767 176.300 -0.275 0.000 0.984 1735 D CA 0.979 54.811 54.000 -0.280 0.000 0.885 1735 D CB 0.103 40.701 40.800 -0.336 0.000 0.996 1735 D HN 0.316 nan 8.370 nan 0.000 0.505 1736 A N 0.185 122.785 122.820 -0.366 0.000 1.930 1736 A HA 0.344 4.613 4.320 -0.085 0.000 0.215 1736 A C 1.853 179.382 177.584 -0.093 0.000 1.176 1736 A CA 1.598 53.453 52.037 -0.302 0.000 0.632 1736 A CB -0.426 18.306 19.000 -0.448 0.000 0.819 1736 A HN 0.275 nan 8.150 nan 0.000 0.445 1737 G N -0.914 107.869 108.800 -0.029 0.000 2.137 1737 G HA2 -0.193 3.716 3.960 -0.085 0.000 0.237 1737 G HA3 -0.193 3.716 3.960 -0.085 0.000 0.237 1737 G C 0.363 175.306 174.900 0.072 0.000 1.002 1737 G CA 0.637 45.748 45.100 0.019 0.000 0.702 1737 G HN 1.207 nan 8.290 nan 0.000 0.515 1738 S N 0.423 116.217 115.700 0.156 0.000 2.485 1738 S HA 0.662 5.081 4.470 -0.085 0.000 0.312 1738 S C 0.585 175.323 174.600 0.229 0.000 1.102 1738 S CA -0.558 57.773 58.200 0.217 0.000 1.066 1738 S CB -0.168 63.205 63.200 0.290 0.000 1.102 1738 S HN 0.477 nan 8.310 nan 0.000 0.519 1739 L N 4.466 125.754 121.223 0.109 0.000 2.330 1739 L HA 0.590 4.879 4.340 -0.085 0.000 0.271 1739 L C 0.263 177.160 176.870 0.046 0.000 1.013 1739 L CA -0.787 54.074 54.840 0.035 0.000 0.816 1739 L CB 1.762 43.822 42.059 0.002 0.000 1.287 1739 L HN 0.516 nan 8.230 nan 0.000 0.435 1740 M N 2.256 121.865 119.600 0.015 0.000 2.146 1740 M HA 0.468 4.897 4.480 -0.085 0.000 0.357 1740 M C 0.105 176.407 176.300 0.003 0.000 1.261 1740 M CA -0.326 54.984 55.300 0.017 0.000 1.106 1740 M CB 1.232 33.838 32.600 0.010 0.000 1.612 1740 M HN 0.760 nan 8.290 nan 0.000 0.470 1741 A N 7.021 129.842 122.820 0.002 0.000 2.498 1741 A HA 0.300 4.569 4.320 -0.085 0.000 0.239 1741 A C -2.015 175.578 177.584 0.015 0.000 1.068 1741 A CA -1.164 50.874 52.037 0.002 0.000 0.766 1741 A CB -0.511 18.488 19.000 -0.001 0.000 1.003 1741 A HN 0.762 nan 8.150 nan 0.000 0.497 1742 P HA -0.209 nan 4.420 nan 0.000 0.216 1742 P C 1.599 178.950 177.300 0.085 0.000 1.153 1742 P CA 1.706 64.850 63.100 0.072 0.000 0.858 1742 P CB -0.047 31.697 31.700 0.074 0.000 0.789 1743 M N -0.105 119.520 119.600 0.042 0.000 2.086 1743 M HA -0.138 4.291 4.480 -0.085 0.000 0.261 1743 M C 1.205 177.567 176.300 0.103 0.000 1.067 1743 M CA 1.901 57.234 55.300 0.054 0.000 1.116 1743 M CB -1.313 31.286 32.600 -0.002 0.000 1.348 1743 M HN -0.259 nan 8.290 nan 0.000 0.407 1744 D N 0.195 120.615 120.400 0.033 0.000 2.144 1744 D HA -0.059 4.531 4.640 -0.085 0.000 0.199 1744 D C 1.983 178.228 176.300 -0.092 0.000 0.984 1744 D CA 1.677 55.665 54.000 -0.020 0.000 0.834 1744 D CB -0.391 40.386 40.800 -0.039 0.000 0.955 1744 D HN 0.516 nan 8.370 nan 0.000 0.465 1745 A N 0.236 123.020 122.820 -0.060 0.000 1.898 1745 A HA -0.134 4.135 4.320 -0.085 0.000 0.216 1745 A C 2.094 179.658 177.584 -0.035 0.000 1.181 1745 A CA 0.903 52.867 52.037 -0.122 0.000 0.620 1745 A CB -0.973 18.038 19.000 0.018 0.000 0.819 1745 A HN 0.291 nan 8.150 nan 0.000 0.442 1746 F N 0.719 120.643 119.950 -0.044 0.000 2.095 1746 F HA -0.167 4.311 4.527 -0.082 0.000 0.298 1746 F C 1.819 177.583 175.800 -0.059 0.000 1.104 1746 F CA 1.904 59.898 58.000 -0.010 0.000 1.232 1746 F CB -0.242 38.766 39.000 0.013 0.000 0.987 1746 F HN 0.138 nan 8.300 nan 0.000 0.475 1747 L N -0.668 120.541 121.223 -0.023 0.000 2.093 1747 L HA -0.245 4.045 4.340 -0.085 0.000 0.208 1747 L C 2.580 179.299 176.870 -0.251 0.000 1.085 1747 L CA 1.045 55.782 54.840 -0.171 0.000 0.755 1747 L CB -0.946 41.101 42.059 -0.020 0.000 0.904 1747 L HN 0.329 nan 8.230 nan 0.000 0.435 1748 C N -0.389 118.735 119.300 -0.294 0.000 2.446 1748 C HA -0.065 4.344 4.460 -0.085 0.000 0.277 1748 C C 3.149 178.013 174.990 -0.209 0.000 1.275 1748 C CA 0.608 59.396 59.018 -0.383 0.000 1.727 1748 C CB -0.948 26.241 27.740 -0.917 0.000 2.010 1748 C HN 0.607 nan 8.230 nan 0.000 0.486 1749 A N 0.523 123.251 122.820 -0.153 0.000 1.908 1749 A HA -0.232 4.037 4.320 -0.085 0.000 0.218 1749 A C 2.295 179.812 177.584 -0.112 0.000 1.181 1749 A CA 1.830 53.886 52.037 0.031 0.000 0.627 1749 A CB -0.654 18.360 19.000 0.024 0.000 0.818 1749 A HN 0.654 nan 8.150 nan 0.000 0.445 1750 R N -0.670 119.657 120.500 -0.289 0.000 2.073 1750 R HA -0.115 4.174 4.340 -0.085 0.000 0.234 1750 R C 2.311 178.486 176.300 -0.207 0.000 1.134 1750 R CA 1.606 57.508 56.100 -0.330 0.000 0.952 1750 R CB -0.731 29.241 30.300 -0.546 0.000 0.850 1750 R HN 0.463 nan 8.270 nan 0.000 0.433 1751 G N 0.740 109.430 108.800 -0.184 0.000 2.422 1751 G HA2 -0.297 3.612 3.960 -0.085 0.000 0.218 1751 G HA3 -0.297 3.612 3.960 -0.085 0.000 0.218 1751 G C 1.425 176.362 174.900 0.062 0.000 1.146 1751 G CA 0.717 45.790 45.100 -0.044 0.000 0.769 1751 G HN 0.331 nan 8.290 nan 0.000 0.547 1752 M N 0.196 119.820 119.600 0.040 0.000 2.374 1752 M HA 0.030 4.459 4.480 -0.085 0.000 0.264 1752 M C 2.136 178.447 176.300 0.018 0.000 1.067 1752 M CA 0.934 56.271 55.300 0.062 0.000 1.103 1752 M CB 0.045 32.717 32.600 0.120 0.000 1.402 1752 M HN 0.002 nan 8.290 nan 0.000 0.444 1753 K N -0.300 120.093 120.400 -0.012 0.000 2.152 1753 K HA -0.111 4.159 4.320 -0.085 0.000 0.206 1753 K C 1.666 178.265 176.600 -0.001 0.000 1.048 1753 K CA 1.926 58.197 56.287 -0.027 0.000 0.933 1753 K CB -1.111 31.355 32.500 -0.056 0.000 0.721 1753 K HN 0.522 nan 8.250 nan 0.000 0.447 1754 T N -1.379 113.194 114.554 0.033 0.000 3.105 1754 T HA 0.121 4.421 4.350 -0.085 0.000 0.253 1754 T C 1.602 176.330 174.700 0.046 0.000 1.047 1754 T CA -0.282 61.847 62.100 0.048 0.000 0.944 1754 T CB 0.007 68.927 68.868 0.087 0.000 1.016 1754 T HN -0.057 nan 8.240 nan 0.000 0.544 1755 L N 2.470 123.713 121.223 0.033 0.000 1.989 1755 L HA 0.128 4.418 4.340 -0.085 0.000 0.211 1755 L C -0.948 175.905 176.870 -0.029 0.000 1.071 1755 L CA 1.978 56.829 54.840 0.018 0.000 0.749 1755 L CB -1.185 40.870 42.059 -0.007 0.000 0.890 1755 L HN 0.099 nan 8.230 nan 0.000 0.431 1756 P HA -0.120 nan 4.420 nan 0.000 0.217 1756 P C 1.993 179.273 177.300 -0.033 0.000 1.150 1756 P CA 1.625 64.671 63.100 -0.090 0.000 0.832 1756 P CB -0.004 31.657 31.700 -0.065 0.000 0.787 1757 I N -1.105 119.465 120.570 -0.001 0.000 2.286 1757 I HA -0.179 3.940 4.170 -0.085 0.000 0.245 1757 I C 2.553 178.684 176.117 0.023 0.000 1.104 1757 I CA 1.300 62.610 61.300 0.017 0.000 1.397 1757 I CB -0.318 37.691 38.000 0.017 0.000 1.072 1757 I HN -0.187 nan 8.210 nan 0.000 0.417 1758 R N -0.132 120.386 120.500 0.030 0.000 2.073 1758 R HA -0.146 4.143 4.340 -0.085 0.000 0.234 1758 R C 2.308 178.689 176.300 0.136 0.000 1.134 1758 R CA 1.314 57.432 56.100 0.029 0.000 0.952 1758 R CB -0.341 30.015 30.300 0.093 0.000 0.850 1758 R HN 0.225 nan 8.270 nan 0.000 0.433 1759 M N 0.841 120.539 119.600 0.163 0.000 2.082 1759 M HA -0.232 4.197 4.480 -0.085 0.000 0.258 1759 M C 2.246 178.734 176.300 0.313 0.000 1.069 1759 M CA 1.626 57.041 55.300 0.191 0.000 1.102 1759 M CB -1.128 31.347 32.600 -0.209 0.000 1.336 1759 M HN 0.233 nan 8.290 nan 0.000 0.404 1760 Q N 0.129 120.062 119.800 0.222 0.000 2.096 1760 Q HA -0.200 4.090 4.340 -0.085 0.000 0.208 1760 Q C 2.039 178.135 176.000 0.161 0.000 0.993 1760 Q CA 1.741 57.681 55.803 0.229 0.000 0.862 1760 Q CB -0.115 28.702 28.738 0.131 0.000 0.915 1760 Q HN 0.535 nan 8.270 nan 0.000 0.416 1761 I N -0.433 120.190 120.570 0.089 0.000 2.233 1761 I HA -0.272 3.847 4.170 -0.085 0.000 0.243 1761 I C 2.283 178.437 176.117 0.062 0.000 1.093 1761 I CA 0.813 62.129 61.300 0.027 0.000 1.380 1761 I CB -0.557 37.403 38.000 -0.066 0.000 1.067 1761 I HN 0.300 nan 8.210 nan 0.000 0.413 1762 H N 0.452 119.605 119.070 0.138 0.000 2.289 1762 H HA -0.270 4.223 4.556 -0.105 0.000 0.296 1762 H C 2.254 177.690 175.328 0.179 0.000 1.091 1762 H CA 2.225 58.377 56.048 0.174 0.000 1.274 1762 H CB -0.474 29.414 29.762 0.210 0.000 1.364 1762 H HN 0.361 nan 8.280 nan 0.000 0.490 1763 M N 0.657 120.445 119.600 0.313 0.000 2.080 1763 M HA -0.179 4.250 4.480 -0.085 0.000 0.260 1763 M C 2.029 178.426 176.300 0.162 0.000 1.068 1763 M CA 1.809 57.239 55.300 0.217 0.000 1.109 1763 M CB 0.022 32.673 32.600 0.085 0.000 1.342 1763 M HN 0.207 nan 8.290 nan 0.000 0.405 1764 E N 0.111 120.385 120.200 0.125 0.000 2.046 1764 E HA -0.148 4.151 4.350 -0.085 0.000 0.190 1764 E C 1.731 178.373 176.600 0.070 0.000 0.982 1764 E CA 1.427 57.871 56.400 0.074 0.000 0.800 1764 E CB -0.199 29.534 29.700 0.055 0.000 0.756 1764 E HN 0.686 nan 8.360 nan 0.000 0.449 1765 N N 0.100 118.857 118.700 0.095 0.000 2.043 1765 N HA -0.158 4.531 4.740 -0.085 0.000 0.193 1765 N C 2.062 177.662 175.510 0.151 0.000 1.037 1765 N CA 0.911 54.022 53.050 0.101 0.000 0.851 1765 N CB -0.251 38.300 38.487 0.106 0.000 1.027 1765 N HN 0.120 nan 8.380 nan 0.000 0.422 1766 G N 1.357 110.298 108.800 0.235 0.000 2.442 1766 G HA2 -0.208 3.701 3.960 -0.085 0.000 0.219 1766 G HA3 -0.208 3.701 3.960 -0.085 0.000 0.219 1766 G C 1.550 176.501 174.900 0.086 0.000 1.141 1766 G CA 0.437 45.748 45.100 0.351 0.000 0.763 1766 G HN 0.162 nan 8.290 nan 0.000 0.554 1767 L N -0.519 120.665 121.223 -0.064 0.000 2.109 1767 L HA 0.073 4.362 4.340 -0.085 0.000 0.207 1767 L C 2.974 179.717 176.870 -0.211 0.000 1.086 1767 L CA 1.012 55.643 54.840 -0.349 0.000 0.760 1767 L CB -0.116 41.800 42.059 -0.238 0.000 0.910 1767 L HN 0.154 nan 8.230 nan 0.000 0.437 1768 K N -0.877 119.484 120.400 -0.065 0.000 2.025 1768 K HA -0.125 4.145 4.320 -0.085 0.000 0.207 1768 K C 1.968 178.592 176.600 0.040 0.000 1.049 1768 K CA 1.199 57.475 56.287 -0.018 0.000 0.933 1768 K CB -0.203 32.297 32.500 0.001 0.000 0.714 1768 K HN 0.060 nan 8.250 nan 0.000 0.438 1769 V N 1.550 121.519 119.914 0.092 0.000 2.287 1769 V HA -0.296 3.773 4.120 -0.085 0.000 0.248 1769 V C 2.352 178.578 176.094 0.220 0.000 1.053 1769 V CA 2.138 64.559 62.300 0.202 0.000 1.027 1769 V CB -0.752 31.236 31.823 0.274 0.000 0.646 1769 V HN 0.388 nan 8.190 nan 0.000 0.447 1770 A N -0.360 122.483 122.820 0.038 0.000 1.908 1770 A HA -0.260 4.009 4.320 -0.085 0.000 0.218 1770 A C 2.294 179.804 177.584 -0.124 0.000 1.181 1770 A CA 2.094 54.015 52.037 -0.192 0.000 0.627 1770 A CB -0.441 18.083 19.000 -0.792 0.000 0.818 1770 A HN 0.569 nan 8.150 nan 0.000 0.445 1771 K N -1.580 118.750 120.400 -0.117 0.000 2.097 1771 K HA -0.068 4.201 4.320 -0.085 0.000 0.205 1771 K C 1.797 178.402 176.600 0.008 0.000 1.050 1771 K CA 1.376 57.618 56.287 -0.075 0.000 0.938 1771 K CB -0.333 32.121 32.500 -0.077 0.000 0.718 1771 K HN 0.576 nan 8.250 nan 0.000 0.442 1772 F N 2.058 121.975 119.950 -0.055 0.000 2.069 1772 F HA -0.221 4.252 4.527 -0.091 0.000 0.298 1772 F C 1.800 177.592 175.800 -0.012 0.000 1.113 1772 F CA 1.378 59.365 58.000 -0.022 0.000 1.214 1772 F CB -0.226 38.765 39.000 -0.015 0.000 0.978 1772 F HN -0.135 nan 8.300 nan 0.000 0.474 1773 L N 0.375 121.442 121.223 -0.259 0.000 2.042 1773 L HA -0.231 4.058 4.340 -0.085 0.000 0.210 1773 L C 2.534 179.262 176.870 -0.236 0.000 1.076 1773 L CA 1.953 56.559 54.840 -0.391 0.000 0.749 1773 L CB -0.968 40.902 42.059 -0.316 0.000 0.893 1773 L HN 0.300 nan 8.230 nan 0.000 0.432 1774 E N 0.701 120.822 120.200 -0.132 0.000 2.085 1774 E HA -0.288 4.011 4.350 -0.085 0.000 0.194 1774 E C 1.783 178.332 176.600 -0.084 0.000 0.994 1774 E CA 1.671 58.024 56.400 -0.077 0.000 0.801 1774 E CB 0.121 29.781 29.700 -0.067 0.000 0.743 1774 E HN 0.607 nan 8.360 nan 0.000 0.453 1775 Q N -0.641 119.087 119.800 -0.119 0.000 2.246 1775 Q HA 0.094 4.383 4.340 -0.085 0.000 0.202 1775 Q C -0.074 175.833 176.000 -0.156 0.000 0.883 1775 Q CA 0.123 55.859 55.803 -0.111 0.000 0.952 1775 Q CB 0.060 28.749 28.738 -0.083 0.000 1.078 1775 Q HN 0.178 nan 8.270 nan 0.000 0.493 1776 H N 2.181 121.058 119.070 -0.322 0.000 2.690 1776 H HA 0.026 4.531 4.556 -0.085 0.000 0.314 1776 H C 0.569 175.787 175.328 -0.183 0.000 1.069 1776 H CA 0.462 56.308 56.048 -0.336 0.000 1.436 1776 H CB 1.083 30.515 29.762 -0.551 0.000 1.462 1776 H HN 0.578 nan 8.280 nan 0.000 0.511 1777 E N 3.478 123.525 120.200 -0.255 0.000 2.187 1777 E HA -0.267 4.033 4.350 -0.085 0.000 0.199 1777 E C 1.260 177.882 176.600 0.037 0.000 1.004 1777 E CA 1.405 57.743 56.400 -0.103 0.000 0.813 1777 E CB 0.072 29.683 29.700 -0.149 0.000 0.736 1777 E HN 0.411 nan 8.360 nan 0.000 0.468 1778 K N 0.103 120.635 120.400 0.220 0.000 2.459 1778 K HA 0.073 4.342 4.320 -0.085 0.000 0.193 1778 K C -0.167 176.502 176.600 0.116 0.000 1.030 1778 K CA 0.022 56.420 56.287 0.186 0.000 1.026 1778 K CB 0.384 33.026 32.500 0.238 0.000 0.809 1778 K HN 0.089 nan 8.250 nan 0.000 0.504 1779 I N 1.415 122.042 120.570 0.094 0.000 2.339 1779 I HA 0.043 4.162 4.170 -0.085 0.000 0.290 1779 I C 1.279 177.442 176.117 0.077 0.000 0.994 1779 I CA -0.243 61.100 61.300 0.072 0.000 1.191 1779 I CB 1.575 39.564 38.000 -0.018 0.000 1.343 1779 I HN -0.195 nan 8.210 nan 0.000 0.458 1780 V N 5.455 125.432 119.914 0.105 0.000 2.323 1780 V HA -0.064 4.005 4.120 -0.085 0.000 0.244 1780 V C 0.877 177.025 176.094 0.090 0.000 1.041 1780 V CA 1.435 63.788 62.300 0.087 0.000 1.025 1780 V CB -0.420 31.457 31.823 0.090 0.000 0.656 1780 V HN 0.880 nan 8.190 nan 0.000 0.451 1781 K N -0.568 119.911 120.400 0.131 0.000 2.598 1781 K HA 0.423 4.692 4.320 -0.085 0.000 0.271 1781 K C -2.293 174.434 176.600 0.213 0.000 0.947 1781 K CA -0.551 55.819 56.287 0.139 0.000 0.854 1781 K CB 2.447 35.020 32.500 0.122 0.000 1.401 1781 K HN -0.101 nan 8.250 nan 0.000 0.415 1782 V N 2.525 122.558 119.914 0.199 0.000 2.409 1782 V HA 0.336 4.405 4.120 -0.085 0.000 0.291 1782 V C -0.228 176.008 176.094 0.237 0.000 1.020 1782 V CA -0.831 61.623 62.300 0.258 0.000 0.848 1782 V CB 1.393 33.312 31.823 0.159 0.000 0.990 1782 V HN 0.800 nan 8.190 nan 0.000 0.430 1783 N N 3.489 122.355 118.700 0.277 0.000 3.229 1783 N HA 0.193 4.882 4.740 -0.085 0.000 0.275 1783 N C -0.793 174.588 175.510 -0.215 0.000 1.225 1783 N CA -0.269 52.868 53.050 0.146 0.000 1.119 1783 N CB 0.131 38.783 38.487 0.275 0.000 1.392 1783 N HN 0.659 nan 8.380 nan 0.000 0.520 1784 H N 2.188 120.948 119.070 -0.517 0.000 2.511 1784 H HA 0.229 4.699 4.556 -0.143 0.000 0.328 1784 H C -1.901 172.931 175.328 -0.827 0.000 1.044 1784 H CA -2.125 53.522 56.048 -0.668 0.000 1.212 1784 H CB 1.987 31.262 29.762 -0.811 0.000 1.428 1784 H HN 0.241 nan 8.280 nan 0.000 0.483 1785 P HA -0.085 nan 4.420 nan 0.000 0.219 1785 P C 1.178 178.383 177.300 -0.159 0.000 1.146 1785 P CA 1.325 64.206 63.100 -0.365 0.000 0.808 1785 P CB 0.043 31.654 31.700 -0.149 0.000 0.779 1786 G N -1.043 107.483 108.800 -0.456 0.000 2.985 1786 G HA2 0.141 4.051 3.960 -0.085 0.000 0.209 1786 G HA3 0.141 4.051 3.960 -0.085 0.000 0.209 1786 G C 0.492 175.144 174.900 -0.415 0.000 1.165 1786 G CA -0.147 44.468 45.100 -0.808 0.000 0.776 1786 G HN 0.207 nan 8.290 nan 0.000 0.541 1787 L N 0.389 121.407 121.223 -0.341 0.000 2.357 1787 L HA 0.287 4.576 4.340 -0.085 0.000 0.273 1787 L C 1.283 177.867 176.870 -0.477 0.000 1.080 1787 L CA -0.729 53.894 54.840 -0.360 0.000 0.803 1787 L CB 1.396 43.320 42.059 -0.224 0.000 1.174 1787 L HN 0.087 nan 8.230 nan 0.000 0.443 1788 E N 0.751 120.669 120.200 -0.470 0.000 2.150 1788 E HA -0.143 4.156 4.350 -0.085 0.000 0.193 1788 E C 1.931 178.451 176.600 -0.134 0.000 0.985 1788 E CA 1.459 57.612 56.400 -0.411 0.000 0.814 1788 E CB 0.097 29.660 29.700 -0.228 0.000 0.752 1788 E HN 0.809 nan 8.360 nan 0.000 0.466 1789 S N 0.702 116.360 115.700 -0.071 0.000 2.453 1789 S HA -0.108 4.311 4.470 -0.085 0.000 0.231 1789 S C 0.766 175.415 174.600 0.082 0.000 1.005 1789 S CA -0.058 58.145 58.200 0.006 0.000 0.949 1789 S CB -0.463 62.742 63.200 0.009 0.000 0.774 1789 S HN 0.138 nan 8.310 nan 0.000 0.510 1790 F N 4.984 124.909 119.950 -0.042 0.000 2.504 1790 F HA 0.419 4.904 4.527 -0.070 0.000 0.369 1790 F C -2.569 173.264 175.800 0.056 0.000 1.082 1790 F CA -2.923 55.087 58.000 0.017 0.000 1.216 1790 F CB 0.301 39.318 39.000 0.028 0.000 1.108 1790 F HN -0.009 nan 8.300 nan 0.000 0.554 1791 P HA 0.230 nan 4.420 nan 0.000 0.271 1791 P C 0.295 177.376 177.300 -0.365 0.000 1.220 1791 P CA 0.587 63.462 63.100 -0.375 0.000 0.768 1791 P CB 0.713 32.185 31.700 -0.380 0.000 0.848 1792 G N 2.123 110.877 108.800 -0.077 0.000 2.136 1792 G HA2 -0.328 3.581 3.960 -0.085 0.000 0.242 1792 G HA3 -0.328 3.581 3.960 -0.085 0.000 0.242 1792 G C 1.120 176.137 174.900 0.195 0.000 0.989 1792 G CA 0.437 45.558 45.100 0.036 0.000 0.682 1792 G HN 0.786 nan 8.290 nan 0.000 0.522 1793 H N 0.363 119.535 119.070 0.171 0.000 2.422 1793 H HA -0.096 4.397 4.556 -0.104 0.000 0.298 1793 H C 1.985 177.402 175.328 0.149 0.000 1.098 1793 H CA 1.904 58.075 56.048 0.206 0.000 1.315 1793 H CB 0.191 30.048 29.762 0.160 0.000 1.382 1793 H HN 0.444 nan 8.280 nan 0.000 0.523 1794 D N 0.584 120.980 120.400 -0.006 0.000 2.097 1794 D HA -0.095 4.494 4.640 -0.085 0.000 0.197 1794 D C 2.515 178.780 176.300 -0.057 0.000 0.984 1794 D CA 1.000 54.957 54.000 -0.071 0.000 0.826 1794 D CB -0.204 40.604 40.800 0.013 0.000 0.973 1794 D HN 0.467 nan 8.370 nan 0.000 0.460 1795 I N 0.940 121.510 120.570 -0.000 0.000 2.179 1795 I HA -0.237 3.882 4.170 -0.085 0.000 0.242 1795 I C 2.434 178.564 176.117 0.022 0.000 1.088 1795 I CA 1.044 62.353 61.300 0.014 0.000 1.357 1795 I CB -0.220 37.801 38.000 0.035 0.000 1.051 1795 I HN -0.078 nan 8.210 nan 0.000 0.409 1796 A N 0.702 123.558 122.820 0.062 0.000 1.933 1796 A HA -0.263 4.006 4.320 -0.085 0.000 0.218 1796 A C 2.375 179.996 177.584 0.063 0.000 1.175 1796 A CA 1.956 54.062 52.037 0.116 0.000 0.628 1796 A CB -0.524 18.628 19.000 0.253 0.000 0.814 1796 A HN 0.371 nan 8.150 nan 0.000 0.444 1797 K N -0.128 120.249 120.400 -0.038 0.000 2.097 1797 K HA -0.151 4.119 4.320 -0.085 0.000 0.205 1797 K C 1.964 178.519 176.600 -0.075 0.000 1.050 1797 K CA 1.676 57.913 56.287 -0.085 0.000 0.938 1797 K CB -0.141 32.225 32.500 -0.223 0.000 0.718 1797 K HN 0.444 nan 8.250 nan 0.000 0.442 1798 K N 0.201 120.567 120.400 -0.057 0.000 2.025 1798 K HA -0.127 4.142 4.320 -0.085 0.000 0.207 1798 K C 2.138 178.721 176.600 -0.029 0.000 1.049 1798 K CA 1.740 58.005 56.287 -0.037 0.000 0.933 1798 K CB 0.054 32.539 32.500 -0.025 0.000 0.714 1798 K HN 0.246 nan 8.250 nan 0.000 0.438 1799 Q N -0.577 119.212 119.800 -0.018 0.000 2.408 1799 Q HA 0.160 4.449 4.340 -0.085 0.000 0.205 1799 Q C 0.213 176.207 176.000 -0.010 0.000 0.919 1799 Q CA 0.273 56.071 55.803 -0.007 0.000 0.932 1799 Q CB 0.533 29.276 28.738 0.008 0.000 1.058 1799 Q HN 0.262 nan 8.270 nan 0.000 0.517 1800 M N -0.142 119.435 119.600 -0.038 0.000 2.602 1800 M HA 0.250 4.679 4.480 -0.085 0.000 0.312 1800 M C 0.285 176.500 176.300 -0.141 0.000 1.181 1800 M CA -0.375 54.885 55.300 -0.066 0.000 0.910 1800 M CB 1.961 34.511 32.600 -0.083 0.000 1.723 1800 M HN -0.111 nan 8.290 nan 0.000 0.459 1801 T N -2.144 112.354 114.554 -0.092 0.000 3.145 1801 T HA 0.560 4.859 4.350 -0.085 0.000 0.255 1801 T C 0.454 174.958 174.700 -0.327 0.000 1.039 1801 T CA 0.057 62.096 62.100 -0.101 0.000 0.928 1801 T CB -0.126 68.777 68.868 0.058 0.000 1.029 1801 T HN 0.975 nan 8.240 nan 0.000 0.554 1802 G N 0.029 108.387 108.800 -0.737 0.000 2.317 1802 G HA2 0.467 4.376 3.960 -0.085 0.000 0.293 1802 G HA3 0.467 4.376 3.960 -0.085 0.000 0.293 1802 G C -2.333 171.745 174.900 -1.370 0.000 1.287 1802 G CA -1.128 43.076 45.100 -1.495 0.000 0.850 1802 G HN 0.230 nan 8.290 nan 0.000 0.515 1803 Y N -0.520 119.367 120.300 -0.688 0.000 2.512 1803 Y HA 0.645 5.006 4.550 -0.314 0.000 0.348 1803 Y C 0.995 176.842 175.900 -0.089 0.000 0.990 1803 Y CA -0.266 57.707 58.100 -0.212 0.000 1.033 1803 Y CB 2.066 40.496 38.460 -0.049 0.000 1.259 1803 Y HN 0.893 nan 8.280 nan 0.000 0.461 1804 G N 0.156 109.025 108.800 0.115 0.000 2.631 1804 G HA2 0.342 4.251 3.960 -0.085 0.000 0.271 1804 G HA3 0.342 4.251 3.960 -0.085 0.000 0.271 1804 G C 0.321 175.277 174.900 0.093 0.000 1.302 1804 G CA -0.131 44.931 45.100 -0.062 0.000 1.002 1804 G HN 0.747 nan 8.290 nan 0.000 0.519 1805 S N -1.914 113.890 115.700 0.173 0.000 2.749 1805 S HA 0.256 4.676 4.470 -0.085 0.000 0.246 1805 S C 0.271 175.051 174.600 0.301 0.000 1.023 1805 S CA -0.337 58.063 58.200 0.332 0.000 1.012 1805 S CB 0.349 63.789 63.200 0.400 0.000 0.942 1805 S HN 0.436 nan 8.310 nan 0.000 0.531 1806 T N 3.590 118.203 114.554 0.098 0.000 2.767 1806 T HA 0.699 4.998 4.350 -0.085 0.000 0.284 1806 T C -0.671 174.073 174.700 0.074 0.000 0.973 1806 T CA -0.463 61.559 62.100 -0.130 0.000 0.996 1806 T CB 0.308 68.817 68.868 -0.598 0.000 0.927 1806 T HN 0.501 nan 8.240 nan 0.000 0.456 1807 F N 1.103 121.053 119.950 -0.000 0.000 2.741 1807 F HA 0.791 5.272 4.527 -0.076 0.000 0.313 1807 F C -2.140 173.723 175.800 0.105 0.000 1.153 1807 F CA -1.828 56.199 58.000 0.045 0.000 0.931 1807 F CB 0.850 39.834 39.000 -0.026 0.000 1.335 1807 F HN 0.385 nan 8.300 nan 0.000 0.460 1808 L N 2.674 124.053 121.223 0.260 0.000 2.325 1808 L HA 0.811 5.101 4.340 -0.085 0.000 0.278 1808 L C -1.064 175.975 176.870 0.282 0.000 1.023 1808 L CA -0.800 54.095 54.840 0.091 0.000 0.811 1808 L CB 1.515 43.612 42.059 0.064 0.000 1.249 1808 L HN 0.679 nan 8.230 nan 0.000 0.431 1809 F N 0.784 120.810 119.950 0.127 0.000 2.603 1809 F HA 0.670 5.144 4.527 -0.089 0.000 0.317 1809 F C -0.644 175.210 175.800 0.090 0.000 1.066 1809 F CA -0.975 57.109 58.000 0.140 0.000 0.941 1809 F CB 1.237 40.335 39.000 0.163 0.000 1.291 1809 F HN 0.527 nan 8.300 nan 0.000 0.472 1810 E N 3.220 123.591 120.200 0.285 0.000 2.151 1810 E HA 0.372 4.671 4.350 -0.085 0.000 0.275 1810 E C -0.827 175.903 176.600 0.216 0.000 0.936 1810 E CA -0.909 55.591 56.400 0.167 0.000 0.777 1810 E CB 1.003 30.779 29.700 0.127 0.000 1.108 1810 E HN 0.586 nan 8.360 nan 0.000 0.401 1811 M N 2.929 122.629 119.600 0.168 0.000 2.369 1811 M HA 0.238 4.667 4.480 -0.085 0.000 0.291 1811 M C 0.809 177.176 176.300 0.112 0.000 1.178 1811 M CA -0.044 55.348 55.300 0.154 0.000 0.996 1811 M CB 0.527 33.205 32.600 0.131 0.000 1.472 1811 M HN 0.461 nan 8.290 nan 0.000 0.496 1812 K N 0.172 120.627 120.400 0.093 0.000 2.418 1812 K HA 0.044 4.313 4.320 -0.085 0.000 0.195 1812 K C 0.224 176.871 176.600 0.078 0.000 1.035 1812 K CA 0.276 56.609 56.287 0.077 0.000 1.003 1812 K CB 0.226 32.764 32.500 0.063 0.000 0.793 1812 K HN 0.798 nan 8.250 nan 0.000 0.494 1813 S N -1.969 113.783 115.700 0.088 0.000 2.636 1813 S HA 0.145 4.564 4.470 -0.085 0.000 0.266 1813 S C 0.154 174.838 174.600 0.140 0.000 1.147 1813 S CA -1.004 57.263 58.200 0.112 0.000 0.815 1813 S CB 0.083 63.339 63.200 0.092 0.000 1.119 1813 S HN 0.064 nan 8.310 nan 0.000 0.470 1814 F N 1.687 121.667 119.950 0.049 0.000 2.102 1814 F HA 0.007 4.483 4.527 -0.085 0.000 0.298 1814 F C 2.366 178.175 175.800 0.014 0.000 1.105 1814 F CA 2.076 60.100 58.000 0.040 0.000 1.239 1814 F CB -0.153 38.864 39.000 0.029 0.000 0.991 1814 F HN 0.676 nan 8.300 nan 0.000 0.474 1815 E N 0.877 121.020 120.200 -0.095 0.000 2.097 1815 E HA -0.244 4.056 4.350 -0.085 0.000 0.196 1815 E C 2.369 178.860 176.600 -0.182 0.000 1.000 1815 E CA 1.260 57.555 56.400 -0.176 0.000 0.804 1815 E CB -0.960 28.735 29.700 -0.008 0.000 0.740 1815 E HN 0.545 nan 8.360 nan 0.000 0.454 1816 A N 1.283 124.049 122.820 -0.090 0.000 1.898 1816 A HA -0.055 4.214 4.320 -0.085 0.000 0.216 1816 A C 2.422 179.965 177.584 -0.068 0.000 1.181 1816 A CA 2.056 54.066 52.037 -0.046 0.000 0.620 1816 A CB -0.569 18.439 19.000 0.013 0.000 0.819 1816 A HN 0.272 nan 8.150 nan 0.000 0.442 1817 A N -0.058 122.693 122.820 -0.115 0.000 1.877 1817 A HA -0.180 4.089 4.320 -0.085 0.000 0.216 1817 A C 2.154 179.611 177.584 -0.212 0.000 1.186 1817 A CA 2.007 53.980 52.037 -0.106 0.000 0.620 1817 A CB -0.508 18.462 19.000 -0.050 0.000 0.822 1817 A HN 0.545 nan 8.150 nan 0.000 0.443 1818 K N -0.176 119.939 120.400 -0.476 0.000 2.063 1818 K HA -0.211 4.058 4.320 -0.085 0.000 0.208 1818 K C 2.140 178.637 176.600 -0.173 0.000 1.048 1818 K CA 1.915 57.936 56.287 -0.443 0.000 0.928 1818 K CB -0.194 31.887 32.500 -0.699 0.000 0.713 1818 K HN 0.429 nan 8.250 nan 0.000 0.442 1819 K N 0.451 120.792 120.400 -0.099 0.000 2.057 1819 K HA -0.147 4.122 4.320 -0.085 0.000 0.206 1819 K C 2.203 178.888 176.600 0.142 0.000 1.050 1819 K CA 1.089 57.418 56.287 0.071 0.000 0.935 1819 K CB -0.120 32.392 32.500 0.020 0.000 0.715 1819 K HN 0.118 nan 8.250 nan 0.000 0.439 1820 L N 0.991 122.249 121.223 0.058 0.000 1.994 1820 L HA -0.122 4.167 4.340 -0.085 0.000 0.208 1820 L C 2.023 178.939 176.870 0.077 0.000 1.071 1820 L CA 1.780 56.670 54.840 0.083 0.000 0.745 1820 L CB -0.350 41.770 42.059 0.101 0.000 0.892 1820 L HN 0.222 nan 8.230 nan 0.000 0.431 1821 M N -0.976 118.642 119.600 0.030 0.000 2.358 1821 M HA -0.180 4.249 4.480 -0.085 0.000 0.264 1821 M C 1.528 177.809 176.300 -0.032 0.000 1.064 1821 M CA 1.558 56.861 55.300 0.006 0.000 1.093 1821 M CB -0.216 32.370 32.600 -0.023 0.000 1.401 1821 M HN 0.361 nan 8.290 nan 0.000 0.440 1822 E N -1.672 118.488 120.200 -0.067 0.000 2.481 1822 E HA 0.004 4.304 4.350 -0.085 0.000 0.198 1822 E C 0.039 176.392 176.600 -0.411 0.000 1.027 1822 E CA 0.208 56.482 56.400 -0.211 0.000 0.900 1822 E CB 0.368 29.912 29.700 -0.261 0.000 0.993 1822 E HN 0.570 nan 8.360 nan 0.000 0.482 1823 H N -0.281 118.782 119.070 -0.011 0.000 2.492 1823 H HA 0.274 4.779 4.556 -0.085 0.000 0.264 1823 H C -0.648 174.681 175.328 0.002 0.000 1.150 1823 H CA -0.168 55.878 56.048 -0.005 0.000 0.962 1823 H CB 0.313 30.072 29.762 -0.005 0.000 1.766 1823 H HN -0.101 nan 8.280 nan 0.000 0.589 1824 L N 0.883 122.137 121.223 0.052 0.000 2.289 1824 L HA 0.323 4.612 4.340 -0.085 0.000 0.285 1824 L C 0.855 177.737 176.870 0.021 0.000 1.049 1824 L CA -0.255 54.610 54.840 0.041 0.000 0.804 1824 L CB 1.827 43.907 42.059 0.034 0.000 1.195 1824 L HN 0.249 nan 8.230 nan 0.000 0.428 1825 K N 1.762 122.175 120.400 0.022 0.000 2.348 1825 K HA 0.107 4.377 4.320 -0.085 0.000 0.194 1825 K C 1.136 177.739 176.600 0.006 0.000 1.052 1825 K CA 0.257 56.551 56.287 0.013 0.000 1.004 1825 K CB 0.788 33.298 32.500 0.016 0.000 0.873 1825 K HN 0.437 nan 8.250 nan 0.000 0.523 1826 V N 0.964 120.881 119.914 0.006 0.000 2.743 1826 V HA -0.015 4.055 4.120 -0.085 0.000 0.237 1826 V C 0.988 177.084 176.094 0.004 0.000 1.113 1826 V CA 0.167 62.468 62.300 0.002 0.000 1.141 1826 V CB 0.304 32.125 31.823 -0.002 0.000 0.873 1826 V HN 0.225 nan 8.190 nan 0.000 0.486 1827 C N 2.098 121.404 119.300 0.009 0.000 2.611 1827 C HA 0.341 4.750 4.460 -0.085 0.000 0.416 1827 C C 0.890 175.883 174.990 0.006 0.000 1.366 1827 C CA -0.010 59.015 59.018 0.011 0.000 1.761 1827 C CB -0.886 26.868 27.740 0.023 0.000 2.619 1827 C HN 0.476 nan 8.230 nan 0.000 0.606 1828 T N 3.951 118.506 114.554 0.002 0.000 2.794 1828 T HA 0.383 4.682 4.350 -0.085 0.000 0.280 1828 T C -0.284 174.415 174.700 -0.001 0.000 0.987 1828 T CA -0.364 61.734 62.100 -0.002 0.000 0.993 1828 T CB 1.066 69.931 68.868 -0.004 0.000 0.939 1828 T HN 0.495 nan 8.240 nan 0.000 0.449 1829 L N 4.052 125.274 121.223 -0.003 0.000 2.385 1829 L HA 0.637 4.927 4.340 -0.085 0.000 0.281 1829 L C -0.155 176.717 176.870 0.005 0.000 1.106 1829 L CA 0.404 55.245 54.840 0.001 0.000 0.856 1829 L CB -0.956 41.100 42.059 -0.005 0.000 1.186 1829 L HN 0.869 nan 8.230 nan 0.000 0.453 1830 A N 4.041 126.866 122.820 0.009 0.000 2.590 1830 A HA 0.593 4.862 4.320 -0.085 0.000 0.294 1830 A C -0.730 176.864 177.584 0.016 0.000 1.046 1830 A CA -0.226 51.817 52.037 0.011 0.000 0.684 1830 A CB 0.591 19.592 19.000 0.001 0.000 1.279 1830 A HN 1.021 nan 8.150 nan 0.000 0.415 1831 V N -0.140 119.790 119.914 0.027 0.000 3.489 1831 V HA 0.878 4.947 4.120 -0.085 0.000 0.297 1831 V C 0.633 176.734 176.094 0.010 0.000 1.071 1831 V CA 0.569 62.892 62.300 0.038 0.000 1.074 1831 V CB 0.812 32.676 31.823 0.067 0.000 1.188 1831 V HN 2.864 nan 8.190 nan 0.000 0.458 1832 S N -0.044 115.661 115.700 0.008 0.000 4.064 1832 S HA 0.036 4.455 4.470 -0.085 0.000 0.651 1832 S C -1.010 173.534 174.600 -0.093 0.000 1.268 1832 S CA 0.467 58.641 58.200 -0.044 0.000 1.421 1832 S CB -1.132 62.036 63.200 -0.053 0.000 0.335 1832 S HN 2.579 nan 8.310 nan 0.000 1.550 1833 L N -1.393 119.722 121.223 -0.180 0.000 2.838 1833 L HA 0.831 5.121 4.340 -0.085 0.000 0.266 1833 L C 0.884 177.441 176.870 -0.522 0.000 1.040 1833 L CA 0.011 54.663 54.840 -0.313 0.000 0.906 1833 L CB 0.877 42.721 42.059 -0.358 0.000 1.501 1833 L HN 2.232 nan 8.230 nan 0.000 0.407 1834 G N -0.638 107.665 108.800 -0.828 0.000 2.153 1834 G HA2 -0.254 3.656 3.960 -0.085 0.000 0.252 1834 G HA3 -0.254 3.656 3.960 -0.085 0.000 0.252 1834 G C 0.272 174.817 174.900 -0.593 0.000 0.994 1834 G CA 0.255 44.480 45.100 -1.458 0.000 0.698 1834 G HN 0.978 nan 8.290 nan 0.000 0.521 1835 C N -0.249 118.877 119.300 -0.291 0.000 2.500 1835 C HA 0.549 4.959 4.460 -0.085 0.000 0.367 1835 C C 2.642 177.646 174.990 0.024 0.000 1.283 1835 C CA 0.133 59.081 59.018 -0.116 0.000 2.456 1835 C CB 0.707 28.394 27.740 -0.088 0.000 2.457 1835 C HN 1.137 nan 8.230 nan 0.000 0.632 1836 V N 1.135 121.025 119.914 -0.040 0.000 2.594 1836 V HA 0.026 4.095 4.120 -0.085 0.000 0.253 1836 V C 0.745 176.831 176.094 -0.012 0.000 1.069 1836 V CA 1.768 64.039 62.300 -0.048 0.000 1.082 1836 V CB -1.042 30.671 31.823 -0.184 0.000 0.680 1836 V HN 0.922 nan 8.190 nan 0.000 0.469 1837 D N -0.195 120.201 120.400 -0.007 0.000 2.272 1837 D HA 0.229 4.818 4.640 -0.085 0.000 0.247 1837 D C -0.394 175.914 176.300 0.013 0.000 0.990 1837 D CA -0.432 53.568 54.000 0.001 0.000 0.931 1837 D CB 1.574 42.370 40.800 -0.007 0.000 1.195 1837 D HN 0.144 nan 8.370 nan 0.000 0.477 1838 T N 1.303 115.868 114.554 0.017 0.000 2.870 1838 T HA 0.311 4.611 4.350 -0.085 0.000 0.300 1838 T C -0.084 174.614 174.700 -0.002 0.000 0.989 1838 T CA -0.368 61.742 62.100 0.018 0.000 1.139 1838 T CB 0.274 69.158 68.868 0.027 0.000 0.920 1838 T HN 0.179 nan 8.240 nan 0.000 0.537 1839 L N 3.322 124.534 121.223 -0.019 0.000 2.354 1839 L HA 0.711 5.000 4.340 -0.085 0.000 0.269 1839 L C -0.296 176.557 176.870 -0.027 0.000 1.005 1839 L CA -0.853 53.970 54.840 -0.027 0.000 0.819 1839 L CB 1.748 43.778 42.059 -0.048 0.000 1.311 1839 L HN 0.651 nan 8.230 nan 0.000 0.423 1840 I N 1.236 121.798 120.570 -0.013 0.000 2.802 1840 I HA 0.528 4.647 4.170 -0.085 0.000 0.298 1840 I C -1.219 174.899 176.117 0.002 0.000 1.176 1840 I CA -0.150 61.145 61.300 -0.009 0.000 1.025 1840 I CB 2.029 40.042 38.000 0.023 0.000 1.243 1840 I HN 0.616 nan 8.210 nan 0.000 0.424 1841 E N 5.161 125.360 120.200 -0.002 0.000 2.412 1841 E HA 0.229 4.528 4.350 -0.085 0.000 0.279 1841 E C -1.830 174.807 176.600 0.062 0.000 0.984 1841 E CA -0.611 55.811 56.400 0.036 0.000 0.788 1841 E CB 1.990 31.710 29.700 0.034 0.000 1.277 1841 E HN 0.677 nan 8.360 nan 0.000 0.455 1842 H N 4.484 123.558 119.070 0.006 0.000 2.683 1842 H HA 0.278 4.784 4.556 -0.084 0.000 0.270 1842 H C -1.998 173.357 175.328 0.046 0.000 1.201 1842 H CA -2.050 54.010 56.048 0.019 0.000 1.277 1842 H CB 1.434 31.239 29.762 0.071 0.000 1.400 1842 H HN 0.180 nan 8.280 nan 0.000 0.504 1843 P HA -0.196 nan 4.420 nan 0.000 0.216 1843 P C 1.346 178.587 177.300 -0.097 0.000 1.154 1843 P CA 2.075 65.122 63.100 -0.089 0.000 0.865 1843 P CB 0.205 31.796 31.700 -0.182 0.000 0.789 1844 A N -0.401 122.230 122.820 -0.314 0.000 1.972 1844 A HA -0.158 4.111 4.320 -0.085 0.000 0.219 1844 A C 2.170 179.757 177.584 0.005 0.000 1.169 1844 A CA 2.325 54.271 52.037 -0.152 0.000 0.635 1844 A CB -1.250 17.641 19.000 -0.181 0.000 0.810 1844 A HN 0.370 nan 8.150 nan 0.000 0.446 1845 S N -2.796 112.980 115.700 0.127 0.000 2.559 1845 S HA 0.433 4.852 4.470 -0.085 0.000 0.226 1845 S C 1.111 175.792 174.600 0.135 0.000 1.000 1845 S CA 0.277 58.585 58.200 0.180 0.000 0.948 1845 S CB -0.019 63.350 63.200 0.282 0.000 0.870 1845 S HN 0.438 nan 8.310 nan 0.000 0.497 1846 M N 1.156 120.829 119.600 0.121 0.000 3.114 1846 M HA 0.191 4.620 4.480 -0.085 0.000 0.152 1846 M C 2.275 178.619 176.300 0.072 0.000 1.756 1846 M CA 0.851 56.209 55.300 0.096 0.000 1.654 1846 M CB -0.672 31.997 32.600 0.115 0.000 0.853 1846 M HN 0.243 nan 8.290 nan 0.000 0.596 1847 T N -1.593 113.030 114.554 0.115 0.000 2.849 1847 T HA -0.167 4.132 4.350 -0.085 0.000 0.270 1847 T C 0.895 175.530 174.700 -0.110 0.000 1.066 1847 T CA 1.734 63.892 62.100 0.097 0.000 1.130 1847 T CB -0.536 68.499 68.868 0.278 0.000 0.864 1847 T HN 0.421 nan 8.240 nan 0.000 0.481 1848 H N -0.286 118.756 119.070 -0.045 0.000 2.510 1848 H HA 0.738 5.243 4.556 -0.085 0.000 0.266 1848 H C 1.787 177.073 175.328 -0.070 0.000 1.146 1848 H CA -0.074 55.926 56.048 -0.079 0.000 0.993 1848 H CB 0.127 29.849 29.762 -0.067 0.000 1.727 1848 H HN 0.435 nan 8.280 nan 0.000 0.590 1849 A N 0.608 123.430 122.820 0.004 0.000 1.968 1849 A HA 0.043 4.313 4.320 -0.085 0.000 0.217 1849 A C 2.245 179.808 177.584 -0.036 0.000 1.169 1849 A CA 1.377 53.412 52.037 -0.005 0.000 0.638 1849 A CB -0.401 18.601 19.000 0.004 0.000 0.812 1849 A HN 0.429 nan 8.150 nan 0.000 0.446 1850 A N -0.617 122.159 122.820 -0.074 0.000 2.208 1850 A HA 0.396 4.666 4.320 -0.085 0.000 0.209 1850 A C 0.813 178.343 177.584 -0.091 0.000 1.161 1850 A CA 0.121 52.104 52.037 -0.090 0.000 0.782 1850 A CB -0.427 18.504 19.000 -0.116 0.000 0.816 1850 A HN 0.224 nan 8.150 nan 0.000 0.477 1851 V N 2.386 122.252 119.914 -0.079 0.000 2.529 1851 V HA 0.105 4.174 4.120 -0.085 0.000 0.292 1851 V C -2.109 173.962 176.094 -0.038 0.000 1.028 1851 V CA -1.108 61.157 62.300 -0.059 0.000 1.074 1851 V CB 0.434 32.249 31.823 -0.012 0.000 0.958 1851 V HN 0.282 nan 8.190 nan 0.000 0.481 1852 P HA 0.057 nan 4.420 nan 0.000 0.264 1852 P C 0.802 178.091 177.300 -0.019 0.000 1.183 1852 P CA 0.127 63.208 63.100 -0.031 0.000 0.763 1852 P CB 0.554 32.236 31.700 -0.030 0.000 0.807 1853 E N 2.168 122.357 120.200 -0.019 0.000 2.130 1853 E HA -0.279 4.020 4.350 -0.085 0.000 0.196 1853 E C 1.714 178.309 176.600 -0.009 0.000 0.998 1853 E CA 1.540 57.932 56.400 -0.014 0.000 0.806 1853 E CB -0.194 29.496 29.700 -0.016 0.000 0.738 1853 E HN 0.569 nan 8.360 nan 0.000 0.459 1854 N N 1.095 119.790 118.700 -0.008 0.000 2.188 1854 N HA -0.171 4.518 4.740 -0.085 0.000 0.184 1854 N C 1.768 177.279 175.510 0.002 0.000 1.018 1854 N CA 1.219 54.267 53.050 -0.003 0.000 0.858 1854 N CB -0.435 38.050 38.487 -0.004 0.000 0.989 1854 N HN 0.256 nan 8.380 nan 0.000 0.426 1855 I N 0.482 121.054 120.570 0.003 0.000 2.439 1855 I HA -0.124 3.996 4.170 -0.085 0.000 0.251 1855 I C 2.711 178.837 176.117 0.014 0.000 1.139 1855 I CA 0.749 62.056 61.300 0.011 0.000 1.438 1855 I CB -0.221 37.786 38.000 0.011 0.000 1.085 1855 I HN 0.091 nan 8.210 nan 0.000 0.427 1856 M N 0.996 120.601 119.600 0.008 0.000 2.067 1856 M HA -0.223 4.206 4.480 -0.085 0.000 0.260 1856 M C 2.440 178.739 176.300 -0.002 0.000 1.069 1856 M CA 1.957 57.260 55.300 0.005 0.000 1.117 1856 M CB -0.163 32.436 32.600 -0.001 0.000 1.334 1856 M HN -0.021 nan 8.290 nan 0.000 0.407 1857 R N -0.306 120.193 120.500 -0.002 0.000 2.092 1857 R HA -0.122 4.167 4.340 -0.085 0.000 0.231 1857 R C 2.156 178.458 176.300 0.003 0.000 1.119 1857 R CA 1.368 57.467 56.100 -0.001 0.000 0.970 1857 R CB -0.258 30.042 30.300 -0.001 0.000 0.864 1857 R HN 0.235 nan 8.270 nan 0.000 0.440 1858 K N 0.801 121.205 120.400 0.007 0.000 2.211 1858 K HA -0.087 4.182 4.320 -0.085 0.000 0.203 1858 K C 1.885 178.493 176.600 0.013 0.000 1.050 1858 K CA 1.205 57.499 56.287 0.012 0.000 0.945 1858 K CB 0.150 32.660 32.500 0.017 0.000 0.732 1858 K HN 0.172 nan 8.250 nan 0.000 0.451 1859 Q N -1.275 118.531 119.800 0.010 0.000 2.230 1859 Q HA 0.035 4.324 4.340 -0.085 0.000 0.202 1859 Q C 0.684 176.680 176.000 -0.006 0.000 0.963 1859 Q CA 0.889 56.694 55.803 0.004 0.000 0.866 1859 Q CB 0.251 28.987 28.738 -0.004 0.000 0.931 1859 Q HN 0.468 nan 8.270 nan 0.000 0.452 1860 G N 1.123 109.919 108.800 -0.007 0.000 2.160 1860 G HA2 -0.251 3.658 3.960 -0.085 0.000 0.244 1860 G HA3 -0.251 3.658 3.960 -0.085 0.000 0.244 1860 G C -0.286 174.600 174.900 -0.023 0.000 1.022 1860 G CA -0.188 44.909 45.100 -0.006 0.000 0.741 1860 G HN 0.192 nan 8.290 nan 0.000 0.508 1861 I N 2.092 122.635 120.570 -0.044 0.000 2.312 1861 I HA 0.562 4.681 4.170 -0.085 0.000 0.291 1861 I C 0.922 177.006 176.117 -0.055 0.000 1.031 1861 I CA 0.457 61.712 61.300 -0.076 0.000 1.293 1861 I CB 1.530 39.457 38.000 -0.122 0.000 1.403 1861 I HN 0.357 nan 8.210 nan 0.000 0.484 1862 T N 3.015 117.538 114.554 -0.052 0.000 2.907 1862 T HA 0.529 4.828 4.350 -0.085 0.000 0.290 1862 T C -2.318 172.375 174.700 -0.013 0.000 1.066 1862 T CA -1.968 60.121 62.100 -0.019 0.000 1.012 1862 T CB 1.895 70.770 68.868 0.012 0.000 1.184 1862 T HN 0.192 nan 8.240 nan 0.000 0.522 1863 P HA 0.119 nan 4.420 nan 0.000 0.234 1863 P C 0.632 178.173 177.300 0.401 0.000 1.167 1863 P CA 0.547 63.788 63.100 0.234 0.000 0.763 1863 P CB 0.029 31.827 31.700 0.163 0.000 0.835 1864 E N -0.865 119.454 120.200 0.199 0.000 2.435 1864 E HA 0.062 4.361 4.350 -0.085 0.000 0.195 1864 E C 0.435 177.088 176.600 0.088 0.000 1.029 1864 E CA 0.212 56.713 56.400 0.169 0.000 0.865 1864 E CB -0.354 29.417 29.700 0.118 0.000 0.833 1864 E HN 0.283 nan 8.360 nan 0.000 0.510 1865 L N 0.742 121.968 121.223 0.005 0.000 2.326 1865 L HA 0.351 4.641 4.340 -0.085 0.000 0.278 1865 L C -0.353 176.397 176.870 -0.200 0.000 1.092 1865 L CA -0.805 53.964 54.840 -0.119 0.000 0.810 1865 L CB 1.119 43.098 42.059 -0.134 0.000 1.153 1865 L HN -0.206 nan 8.230 nan 0.000 0.439 1866 V N 3.245 122.897 119.914 -0.437 0.000 2.540 1866 V HA 0.454 4.523 4.120 -0.085 0.000 0.302 1866 V C -0.140 175.552 176.094 -0.668 0.000 1.035 1866 V CA -0.703 61.284 62.300 -0.522 0.000 0.873 1866 V CB 2.040 33.462 31.823 -0.667 0.000 0.992 1866 V HN 0.685 nan 8.190 nan 0.000 0.428 1867 R N 3.842 124.136 120.500 -0.343 0.000 2.295 1867 R HA 0.642 4.932 4.340 -0.085 0.000 0.324 1867 R C -1.203 174.971 176.300 -0.210 0.000 0.968 1867 R CA -0.506 55.441 56.100 -0.254 0.000 0.837 1867 R CB 1.384 31.624 30.300 -0.101 0.000 1.133 1867 R HN 0.781 nan 8.270 nan 0.000 0.450 1868 I N 2.299 122.704 120.570 -0.275 0.000 2.412 1868 I HA 0.216 4.336 4.170 -0.085 0.000 0.296 1868 I C -0.680 175.257 176.117 -0.301 0.000 0.987 1868 I CA -0.199 60.964 61.300 -0.228 0.000 1.180 1868 I CB 1.944 39.868 38.000 -0.127 0.000 1.340 1868 I HN 0.525 nan 8.210 nan 0.000 0.455 1869 S N 6.945 122.548 115.700 -0.163 0.000 2.577 1869 S HA 0.406 4.825 4.470 -0.085 0.000 0.294 1869 S C -0.730 173.863 174.600 -0.011 0.000 1.161 1869 S CA -0.619 57.505 58.200 -0.128 0.000 1.143 1869 S CB 0.393 63.486 63.200 -0.178 0.000 0.991 1869 S HN 0.401 nan 8.310 nan 0.000 0.475 1870 V N 5.520 125.490 119.914 0.094 0.000 2.479 1870 V HA 0.393 4.463 4.120 -0.085 0.000 0.281 1870 V C 1.559 177.823 176.094 0.284 0.000 1.031 1870 V CA 0.243 62.652 62.300 0.182 0.000 1.038 1870 V CB 0.433 32.414 31.823 0.263 0.000 0.981 1870 V HN 0.891 nan 8.190 nan 0.000 0.478 1871 G N 3.898 112.806 108.800 0.180 0.000 2.494 1871 G HA2 0.388 4.297 3.960 -0.085 0.000 0.270 1871 G HA3 0.388 4.297 3.960 -0.085 0.000 0.270 1871 G C 0.660 175.557 174.900 -0.004 0.000 1.423 1871 G CA -0.234 44.963 45.100 0.162 0.000 1.055 1871 G HN 0.939 nan 8.290 nan 0.000 0.536 1872 I N -2.255 118.232 120.570 -0.139 0.000 3.904 1872 I HA 0.381 4.500 4.170 -0.085 0.000 0.333 1872 I C 0.027 176.096 176.117 -0.080 0.000 1.361 1872 I CA -0.328 60.863 61.300 -0.182 0.000 1.116 1872 I CB -0.064 37.778 38.000 -0.264 0.000 1.028 1872 I HN 0.125 nan 8.210 nan 0.000 0.398 1873 E N 2.266 122.440 120.200 -0.043 0.000 2.442 1873 E HA -0.040 4.260 4.350 -0.085 0.000 0.260 1873 E C 0.055 176.641 176.600 -0.024 0.000 1.148 1873 E CA 0.021 56.405 56.400 -0.026 0.000 0.976 1873 E CB 0.187 29.878 29.700 -0.015 0.000 0.967 1873 E HN 0.407 nan 8.360 nan 0.000 0.454 1874 N N 0.066 118.753 118.700 -0.022 0.000 2.411 1874 N HA -0.089 4.600 4.740 -0.085 0.000 0.261 1874 N C 0.591 176.086 175.510 -0.025 0.000 1.248 1874 N CA -0.052 52.984 53.050 -0.022 0.000 0.885 1874 N CB 0.609 39.082 38.487 -0.022 0.000 1.062 1874 N HN 0.300 nan 8.380 nan 0.000 0.471 1875 V N 2.322 122.222 119.914 -0.023 0.000 2.332 1875 V HA -0.246 3.823 4.120 -0.085 0.000 0.248 1875 V C 1.467 177.523 176.094 -0.063 0.000 1.055 1875 V CA 1.767 64.050 62.300 -0.028 0.000 1.038 1875 V CB -0.584 31.227 31.823 -0.021 0.000 0.651 1875 V HN 0.720 nan 8.190 nan 0.000 0.450 1876 D N 0.365 120.726 120.400 -0.065 0.000 2.178 1876 D HA -0.150 4.439 4.640 -0.085 0.000 0.201 1876 D C 1.845 178.089 176.300 -0.094 0.000 0.980 1876 D CA 1.466 55.413 54.000 -0.090 0.000 0.842 1876 D CB -0.297 40.465 40.800 -0.064 0.000 0.948 1876 D HN 0.473 nan 8.370 nan 0.000 0.472 1877 D N 0.306 120.667 120.400 -0.064 0.000 2.149 1877 D HA -0.035 4.554 4.640 -0.085 0.000 0.201 1877 D C 2.311 178.574 176.300 -0.062 0.000 0.972 1877 D CA 0.307 54.274 54.000 -0.055 0.000 0.835 1877 D CB -0.146 40.633 40.800 -0.034 0.000 0.966 1877 D HN 0.291 nan 8.370 nan 0.000 0.476 1878 I N 0.570 121.103 120.570 -0.061 0.000 2.202 1878 I HA -0.185 3.935 4.170 -0.085 0.000 0.242 1878 I C 2.385 178.434 176.117 -0.114 0.000 1.091 1878 I CA 0.705 61.973 61.300 -0.054 0.000 1.368 1878 I CB -0.141 37.848 38.000 -0.018 0.000 1.058 1878 I HN -0.083 nan 8.210 nan 0.000 0.410 1879 I N 0.942 121.389 120.570 -0.205 0.000 2.179 1879 I HA -0.300 3.819 4.170 -0.085 0.000 0.242 1879 I C 2.791 178.660 176.117 -0.415 0.000 1.088 1879 I CA 1.443 62.464 61.300 -0.465 0.000 1.357 1879 I CB -0.469 37.171 38.000 -0.600 0.000 1.051 1879 I HN 0.196 nan 8.210 nan 0.000 0.409 1880 A N 0.124 122.801 122.820 -0.239 0.000 1.972 1880 A HA -0.289 3.981 4.320 -0.085 0.000 0.219 1880 A C 1.965 179.503 177.584 -0.077 0.000 1.169 1880 A CA 2.244 54.197 52.037 -0.140 0.000 0.635 1880 A CB -0.621 18.326 19.000 -0.089 0.000 0.810 1880 A HN 0.442 nan 8.150 nan 0.000 0.446 1881 D N -0.107 120.253 120.400 -0.066 0.000 2.097 1881 D HA -0.098 4.492 4.640 -0.085 0.000 0.197 1881 D C 1.851 178.151 176.300 -0.000 0.000 0.984 1881 D CA 1.212 55.199 54.000 -0.022 0.000 0.826 1881 D CB -0.219 40.573 40.800 -0.013 0.000 0.973 1881 D HN 0.407 nan 8.370 nan 0.000 0.460 1882 L N 0.101 121.317 121.223 -0.011 0.000 2.046 1882 L HA -0.143 4.146 4.340 -0.085 0.000 0.208 1882 L C 2.611 179.533 176.870 0.087 0.000 1.077 1882 L CA 1.133 56.001 54.840 0.047 0.000 0.747 1882 L CB -0.419 41.699 42.059 0.097 0.000 0.896 1882 L HN 0.034 nan 8.230 nan 0.000 0.432 1883 K N 0.270 120.721 120.400 0.084 0.000 1.991 1883 K HA -0.287 3.982 4.320 -0.085 0.000 0.212 1883 K C 2.223 178.894 176.600 0.119 0.000 1.049 1883 K CA 2.174 58.577 56.287 0.193 0.000 0.932 1883 K CB -0.048 32.517 32.500 0.108 0.000 0.717 1883 K HN 0.365 nan 8.250 nan 0.000 0.441 1884 Q N -0.101 119.735 119.800 0.060 0.000 2.124 1884 Q HA -0.084 4.205 4.340 -0.085 0.000 0.202 1884 Q C 1.665 177.690 176.000 0.041 0.000 0.977 1884 Q CA 1.820 57.651 55.803 0.046 0.000 0.850 1884 Q CB -0.492 28.263 28.738 0.029 0.000 0.901 1884 Q HN 0.289 nan 8.270 nan 0.000 0.429 1885 A N 0.233 123.081 122.820 0.048 0.000 2.119 1885 A HA 0.119 4.389 4.320 -0.085 0.000 0.217 1885 A C 1.957 179.559 177.584 0.029 0.000 1.153 1885 A CA 0.776 52.845 52.037 0.054 0.000 0.692 1885 A CB -0.348 18.702 19.000 0.083 0.000 0.799 1885 A HN 0.402 nan 8.150 nan 0.000 0.458 1886 L N -1.630 119.605 121.223 0.020 0.000 2.354 1886 L HA 0.057 4.346 4.340 -0.085 0.000 0.212 1886 L C 2.093 178.998 176.870 0.059 0.000 1.091 1886 L CA 0.759 55.594 54.840 -0.008 0.000 0.828 1886 L CB -0.042 41.902 42.059 -0.191 0.000 0.973 1886 L HN 0.379 nan 8.230 nan 0.000 0.461 1887 E N -0.525 119.722 120.200 0.079 0.000 2.431 1887 E HA 0.211 4.510 4.350 -0.085 0.000 0.200 1887 E C 0.146 176.762 176.600 0.028 0.000 0.995 1887 E CA 0.091 56.542 56.400 0.086 0.000 0.915 1887 E CB 0.671 30.444 29.700 0.121 0.000 0.930 1887 E HN 0.313 nan 8.360 nan 0.000 0.496 1888 L N 0.000 121.221 121.223 -0.003 0.000 2.949 1888 L HA 0.000 4.289 4.340 -0.085 0.000 0.249 1888 L CA 0.000 54.815 54.840 -0.042 0.000 0.813 1888 L CB 0.000 42.042 42.059 -0.028 0.000 0.961 1888 L HN 0.000 nan 8.230 nan 0.000 0.502