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 3aeo_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 0.000 176.301 176.300 0.002 0.000 2.045 1505 D CA 0.000 54.005 54.000 0.007 0.000 0.868 1505 D CB 0.000 40.807 40.800 0.011 0.000 0.688 1506 I N 0.064 120.628 120.570 -0.010 0.000 2.614 1506 I HA -0.166 4.053 4.170 0.082 0.000 0.258 1506 I C 1.697 177.807 176.117 -0.012 0.000 1.189 1506 I CA 1.493 62.779 61.300 -0.022 0.000 1.462 1506 I CB -0.359 37.610 38.000 -0.051 0.000 1.092 1506 I HN 0.466 nan 8.210 nan 0.000 0.442 1507 T N -0.265 114.288 114.554 -0.000 0.000 2.708 1507 T HA -0.171 4.228 4.350 0.082 0.000 0.266 1507 T C 1.907 176.631 174.700 0.041 0.000 1.037 1507 T CA 2.045 64.153 62.100 0.012 0.000 1.146 1507 T CB -0.443 68.436 68.868 0.019 0.000 0.865 1507 T HN 0.349 nan 8.240 nan 0.000 0.435 1508 T N 2.013 116.606 114.554 0.064 0.000 2.746 1508 T HA -0.112 4.287 4.350 0.082 0.000 0.267 1508 T C 2.303 177.092 174.700 0.148 0.000 1.039 1508 T CA 1.620 63.800 62.100 0.132 0.000 1.142 1508 T CB -0.754 68.165 68.868 0.086 0.000 0.866 1508 T HN 0.418 nan 8.240 nan 0.000 0.444 1509 T N 2.578 117.173 114.554 0.068 0.000 2.684 1509 T HA 0.006 4.405 4.350 0.082 0.000 0.267 1509 T C 1.997 176.714 174.700 0.029 0.000 1.036 1509 T CA 0.982 63.109 62.100 0.045 0.000 1.148 1509 T CB -0.518 68.353 68.868 0.006 0.000 0.863 1509 T HN 0.249 nan 8.240 nan 0.000 0.436 1510 L N 0.345 121.570 121.223 0.003 0.000 2.083 1510 L HA -0.009 4.380 4.340 0.082 0.000 0.209 1510 L C 2.299 179.141 176.870 -0.046 0.000 1.083 1510 L CA 1.098 55.922 54.840 -0.026 0.000 0.752 1510 L CB -0.540 41.501 42.059 -0.030 0.000 0.899 1510 L HN 0.258 nan 8.230 nan 0.000 0.433 1511 L N -1.525 119.667 121.223 -0.052 0.000 2.478 1511 L HA -0.058 4.331 4.340 0.082 0.000 0.223 1511 L C 0.723 177.349 176.870 -0.407 0.000 1.140 1511 L CA 0.386 55.114 54.840 -0.187 0.000 0.842 1511 L CB -0.290 41.664 42.059 -0.175 0.000 0.953 1511 L HN 0.305 nan 8.230 nan 0.000 0.452 1512 H N 0.766 119.836 119.070 0.000 0.000 2.355 1512 H HA 0.291 4.895 4.556 0.081 0.000 0.232 1512 H C -2.136 173.179 175.328 -0.022 0.000 1.422 1512 H CA -1.684 54.365 56.048 0.002 0.000 1.261 1512 H CB 0.163 29.934 29.762 0.015 0.000 1.595 1512 H HN 0.086 nan 8.280 nan 0.000 0.529 1513 P HA 0.055 nan 4.420 nan 0.000 0.271 1513 P C 0.318 177.600 177.300 -0.030 0.000 1.218 1513 P CA -0.240 62.843 63.100 -0.030 0.000 0.780 1513 P CB 1.832 33.489 31.700 -0.071 0.000 0.901 1514 K N 0.746 121.122 120.400 -0.040 0.000 2.180 1514 K HA 0.497 4.866 4.320 0.082 0.000 0.251 1514 K C 0.681 177.240 176.600 -0.068 0.000 1.014 1514 K CA 0.431 56.691 56.287 -0.046 0.000 0.913 1514 K CB 0.044 32.521 32.500 -0.039 0.000 1.008 1514 K HN 0.927 nan 8.250 nan 0.000 0.490 1515 G N 1.586 110.348 108.800 -0.064 0.000 2.459 1515 G HA2 -0.117 3.892 3.960 0.082 0.000 0.685 1515 G HA3 -0.117 3.892 3.960 0.082 0.000 0.685 1515 G C -1.649 173.198 174.900 -0.088 0.000 1.303 1515 G CA -1.040 44.027 45.100 -0.056 0.000 0.907 1515 G HN 0.579 nan 8.290 nan 0.000 0.632 1516 D N -0.030 120.346 120.400 -0.040 0.000 2.283 1516 D HA 0.536 5.225 4.640 0.082 0.000 0.248 1516 D C 0.662 176.933 176.300 -0.049 0.000 1.072 1516 D CA -0.075 53.886 54.000 -0.065 0.000 0.929 1516 D CB 0.458 41.257 40.800 -0.003 0.000 1.182 1516 D HN 0.562 nan 8.370 nan 0.000 0.433 1517 H N -0.535 118.557 119.070 0.037 0.000 2.707 1517 H HA 0.300 4.905 4.556 0.081 0.000 0.359 1517 H C -0.400 174.909 175.328 -0.032 0.000 1.113 1517 H CA -0.503 55.552 56.048 0.012 0.000 1.422 1517 H CB 0.643 30.385 29.762 -0.034 0.000 1.443 1517 H HN 0.016 nan 8.280 nan 0.000 0.591 1518 V N 4.886 124.837 119.914 0.062 0.000 2.383 1518 V HA -0.018 4.151 4.120 0.082 0.000 0.275 1518 V C 0.734 176.839 176.094 0.018 0.000 1.036 1518 V CA -0.397 61.907 62.300 0.006 0.000 0.889 1518 V CB 0.753 32.523 31.823 -0.087 0.000 0.985 1518 V HN 0.796 nan 8.190 nan 0.000 0.459 1519 L N 5.872 127.124 121.223 0.049 0.000 3.851 1519 L HA -0.300 4.089 4.340 0.082 0.000 0.438 1519 L C 1.050 178.036 176.870 0.192 0.000 1.171 1519 L CA 0.730 55.637 54.840 0.111 0.000 0.895 1519 L CB -1.648 40.447 42.059 0.060 0.000 1.800 1519 L HN 1.090 nan 8.230 nan 0.000 0.960 1520 H N -2.641 116.457 119.070 0.046 0.000 3.395 1520 H HA -0.167 4.438 4.556 0.082 0.000 0.222 1520 H C 1.083 176.370 175.328 -0.069 0.000 1.099 1520 H CA 1.111 57.159 56.048 -0.000 0.000 1.182 1520 H CB -0.992 28.765 29.762 -0.008 0.000 1.188 1520 H HN 0.511 nan 8.280 nan 0.000 0.317 1521 S N -0.247 115.481 115.700 0.046 0.000 2.537 1521 S HA -0.047 4.472 4.470 0.082 0.000 0.286 1521 S C 1.572 176.169 174.600 -0.005 0.000 1.299 1521 S CA 0.137 58.349 58.200 0.020 0.000 1.067 1521 S CB 0.639 63.832 63.200 -0.011 0.000 0.864 1521 S HN 0.537 nan 8.310 nan 0.000 0.494 1522 H N 4.057 123.078 119.070 -0.083 0.000 2.299 1522 H HA 0.092 4.697 4.556 0.081 0.000 0.302 1522 H C 0.942 176.318 175.328 0.079 0.000 1.078 1522 H CA 1.203 57.203 56.048 -0.080 0.000 1.323 1522 H CB -0.298 29.435 29.762 -0.049 0.000 1.381 1522 H HN 0.731 nan 8.280 nan 0.000 0.498 1523 A N 0.683 123.545 122.820 0.070 0.000 2.401 1523 A HA 0.150 4.519 4.320 0.082 0.000 0.259 1523 A C -0.972 176.713 177.584 0.168 0.000 1.103 1523 A CA -0.293 51.802 52.037 0.097 0.000 0.789 1523 A CB -0.336 18.780 19.000 0.192 0.000 1.035 1523 A HN 0.527 nan 8.150 nan 0.000 0.491 1524 Y N 3.691 124.068 120.300 0.128 0.000 2.465 1524 Y HA 0.335 4.935 4.550 0.083 0.000 0.331 1524 Y C -1.848 174.175 175.900 0.205 0.000 1.102 1524 Y CA -1.156 57.049 58.100 0.175 0.000 1.358 1524 Y CB 0.432 38.987 38.460 0.159 0.000 1.213 1524 Y HN 0.516 nan 8.280 nan 0.000 0.525 1525 P HA 0.130 nan 4.420 nan 0.000 0.272 1525 P C -0.885 176.412 177.300 -0.005 0.000 1.230 1525 P CA 0.040 63.031 63.100 -0.182 0.000 0.788 1525 P CB 0.641 32.043 31.700 -0.496 0.000 0.949 1526 I N 1.657 122.131 120.570 -0.160 0.000 2.301 1526 I HA 0.189 4.408 4.170 0.082 0.000 0.292 1526 I C 0.013 176.035 176.117 -0.158 0.000 1.046 1526 I CA -0.336 60.925 61.300 -0.065 0.000 1.282 1526 I CB -0.099 37.760 38.000 -0.235 0.000 1.409 1526 I HN 0.204 nan 8.210 nan 0.000 0.484 1527 F N 4.811 124.771 119.950 0.016 0.000 2.605 1527 F HA 0.140 4.716 4.527 0.081 0.000 0.352 1527 F C 1.097 176.861 175.800 -0.059 0.000 1.236 1527 F CA -0.367 57.623 58.000 -0.017 0.000 1.267 1527 F CB 0.097 39.131 39.000 0.057 0.000 1.632 1527 F HN 0.485 nan 8.300 nan 0.000 0.639 1528 Q N 2.584 122.365 119.800 -0.031 0.000 2.837 1528 Q HA 0.171 4.560 4.340 0.082 0.000 0.235 1528 Q C -0.305 175.640 176.000 -0.092 0.000 1.348 1528 Q CA 0.118 55.886 55.803 -0.059 0.000 0.990 1528 Q CB 0.207 28.887 28.738 -0.096 0.000 1.570 1528 Q HN 0.434 nan 8.270 nan 0.000 0.575 1529 T N -0.238 114.256 114.554 -0.099 0.000 2.894 1529 T HA 0.445 4.844 4.350 0.082 0.000 0.309 1529 T C 0.589 175.154 174.700 -0.224 0.000 1.208 1529 T CA 0.072 62.054 62.100 -0.197 0.000 1.016 1529 T CB 1.182 69.843 68.868 -0.345 0.000 1.192 1529 T HN 0.446 nan 8.240 nan 0.000 0.491 1530 S N 2.058 117.616 115.700 -0.235 0.000 2.398 1530 S HA 0.241 4.760 4.470 0.082 0.000 0.220 1530 S C 1.030 175.458 174.600 -0.288 0.000 1.046 1530 S CA 0.344 58.373 58.200 -0.285 0.000 0.953 1530 S CB -0.195 62.915 63.200 -0.151 0.000 0.856 1530 S HN 0.722 nan 8.310 nan 0.000 0.506 1531 T N 0.497 114.932 114.554 -0.198 0.000 2.940 1531 T HA 0.708 5.107 4.350 0.082 0.000 0.288 1531 T C -1.899 172.560 174.700 -0.402 0.000 1.045 1531 T CA -0.797 61.282 62.100 -0.034 0.000 1.018 1531 T CB 0.877 69.817 68.868 0.120 0.000 1.151 1531 T HN 0.188 nan 8.240 nan 0.000 0.529 1532 F N 1.129 121.032 119.950 -0.079 0.000 2.563 1532 F HA 0.540 5.115 4.527 0.081 0.000 0.316 1532 F C 0.688 176.297 175.800 -0.319 0.000 1.076 1532 F CA -0.983 56.940 58.000 -0.128 0.000 0.921 1532 F CB 1.098 40.065 39.000 -0.054 0.000 1.209 1532 F HN 0.769 nan 8.300 nan 0.000 0.462 1533 C N 0.514 119.780 119.300 -0.057 0.000 2.443 1533 C HA 0.741 5.250 4.460 0.082 0.000 0.369 1533 C C -0.461 174.484 174.990 -0.075 0.000 1.241 1533 C CA -0.952 57.981 59.018 -0.141 0.000 2.413 1533 C CB -0.138 27.594 27.740 -0.014 0.000 2.451 1533 C HN 0.510 nan 8.230 nan 0.000 0.595 1534 F N 0.966 120.991 119.950 0.126 0.000 2.458 1534 F HA 0.368 4.944 4.527 0.081 0.000 0.330 1534 F C 1.265 177.114 175.800 0.081 0.000 1.082 1534 F CA -0.829 57.235 58.000 0.106 0.000 0.995 1534 F CB 0.878 39.943 39.000 0.109 0.000 1.170 1534 F HN 0.605 nan 8.300 nan 0.000 0.478 1535 D N 0.014 120.585 120.400 0.284 0.000 2.277 1535 D HA 0.012 4.701 4.640 0.082 0.000 0.208 1535 D C 0.418 176.798 176.300 0.133 0.000 0.962 1535 D CA 0.969 55.067 54.000 0.164 0.000 0.865 1535 D CB 0.327 41.198 40.800 0.119 0.000 0.939 1535 D HN 0.411 nan 8.370 nan 0.000 0.510 1536 S N -2.468 113.315 115.700 0.139 0.000 2.595 1536 S HA 0.184 4.703 4.470 0.082 0.000 0.270 1536 S C 0.726 175.363 174.600 0.061 0.000 1.145 1536 S CA -0.604 57.646 58.200 0.084 0.000 0.825 1536 S CB 1.317 64.543 63.200 0.045 0.000 1.107 1536 S HN -0.152 nan 8.310 nan 0.000 0.461 1537 T N 1.365 115.944 114.554 0.041 0.000 2.684 1537 T HA -0.172 4.227 4.350 0.082 0.000 0.267 1537 T C 1.750 176.414 174.700 -0.059 0.000 1.036 1537 T CA 2.295 64.398 62.100 0.005 0.000 1.148 1537 T CB -0.568 68.307 68.868 0.011 0.000 0.863 1537 T HN 0.671 nan 8.240 nan 0.000 0.436 1538 Q N 0.960 120.734 119.800 -0.042 0.000 2.084 1538 Q HA -0.108 4.281 4.340 0.082 0.000 0.202 1538 Q C 2.393 178.337 176.000 -0.092 0.000 0.978 1538 Q CA 1.564 57.334 55.803 -0.054 0.000 0.844 1538 Q CB -0.449 28.273 28.738 -0.028 0.000 0.898 1538 Q HN 0.474 nan 8.270 nan 0.000 0.426 1539 Q N -0.865 118.878 119.800 -0.094 0.000 2.084 1539 Q HA -0.121 4.268 4.340 0.082 0.000 0.202 1539 Q C 1.844 177.651 176.000 -0.322 0.000 0.978 1539 Q CA 1.766 57.496 55.803 -0.122 0.000 0.844 1539 Q CB -0.543 28.175 28.738 -0.032 0.000 0.898 1539 Q HN 0.519 nan 8.270 nan 0.000 0.426 1540 G N 0.522 108.955 108.800 -0.611 0.000 2.421 1540 G HA2 -0.235 3.774 3.960 0.082 0.000 0.216 1540 G HA3 -0.235 3.774 3.960 0.082 0.000 0.216 1540 G C 1.550 176.160 174.900 -0.484 0.000 1.171 1540 G CA 1.413 45.670 45.100 -1.405 0.000 0.775 1540 G HN 0.518 nan 8.290 nan 0.000 0.543 1541 A N 1.043 123.731 122.820 -0.220 0.000 1.908 1541 A HA -0.092 4.277 4.320 0.082 0.000 0.218 1541 A C 2.115 179.693 177.584 -0.011 0.000 1.181 1541 A CA 2.246 54.252 52.037 -0.051 0.000 0.627 1541 A CB -0.525 18.438 19.000 -0.062 0.000 0.818 1541 A HN 0.294 nan 8.150 nan 0.000 0.445 1542 D N 0.036 120.394 120.400 -0.071 0.000 2.104 1542 D HA -0.126 4.563 4.640 0.082 0.000 0.194 1542 D C 1.943 178.209 176.300 -0.056 0.000 0.994 1542 D CA 1.060 55.029 54.000 -0.052 0.000 0.830 1542 D CB -0.372 40.389 40.800 -0.064 0.000 0.959 1542 D HN 0.446 nan 8.370 nan 0.000 0.452 1543 L N -0.518 120.635 121.223 -0.118 0.000 2.046 1543 L HA -0.154 4.235 4.340 0.082 0.000 0.208 1543 L C 2.330 179.114 176.870 -0.144 0.000 1.077 1543 L CA 0.795 55.544 54.840 -0.152 0.000 0.747 1543 L CB -0.415 41.520 42.059 -0.207 0.000 0.896 1543 L HN 0.001 nan 8.230 nan 0.000 0.432 1544 F N -0.534 119.363 119.950 -0.088 0.000 2.269 1544 F HA -0.192 4.384 4.527 0.082 0.000 0.301 1544 F C 2.334 178.118 175.800 -0.025 0.000 1.082 1544 F CA 1.121 59.099 58.000 -0.037 0.000 1.360 1544 F CB -0.207 38.768 39.000 -0.041 0.000 1.041 1544 F HN 0.047 nan 8.300 nan 0.000 0.512 1545 M N -0.767 118.904 119.600 0.119 0.000 2.561 1545 M HA 0.209 4.738 4.480 0.082 0.000 0.238 1545 M C 1.542 177.858 176.300 0.026 0.000 1.131 1545 M CA 0.709 56.048 55.300 0.066 0.000 1.046 1545 M CB -0.183 32.439 32.600 0.036 0.000 1.532 1545 M HN 0.255 nan 8.290 nan 0.000 0.497 1546 G N 2.316 111.115 108.800 -0.002 0.000 2.153 1546 G HA2 -0.274 3.735 3.960 0.082 0.000 0.252 1546 G HA3 -0.274 3.735 3.960 0.082 0.000 0.252 1546 G C -0.059 174.817 174.900 -0.039 0.000 0.994 1546 G CA 0.461 45.544 45.100 -0.029 0.000 0.698 1546 G HN 0.573 nan 8.290 nan 0.000 0.521 1547 K N -0.084 120.294 120.400 -0.038 0.000 2.138 1547 K HA 0.720 5.089 4.320 0.082 0.000 0.263 1547 K C 0.748 177.315 176.600 -0.055 0.000 0.965 1547 K CA -0.387 55.876 56.287 -0.040 0.000 0.868 1547 K CB 2.205 34.688 32.500 -0.027 0.000 1.083 1547 K HN 1.617 nan 8.250 nan 0.000 0.443 1548 G N 1.203 109.972 108.800 -0.052 0.000 2.760 1548 G HA2 -0.234 3.775 3.960 0.082 0.000 0.246 1548 G HA3 -0.234 3.775 3.960 0.082 0.000 0.246 1548 G C -1.354 173.498 174.900 -0.080 0.000 1.359 1548 G CA -0.353 44.713 45.100 -0.056 0.000 0.861 1548 G HN 0.787 nan 8.290 nan 0.000 0.541 1549 E N -0.601 119.550 120.200 -0.081 0.000 2.238 1549 E HA 0.710 5.109 4.350 0.082 0.000 0.267 1549 E C 0.525 177.043 176.600 -0.137 0.000 0.887 1549 E CA 0.834 57.165 56.400 -0.116 0.000 0.769 1549 E CB 1.541 31.193 29.700 -0.079 0.000 1.187 1549 E HN 2.164 nan 8.360 nan 0.000 0.416 1550 G N 1.918 110.556 108.800 -0.270 0.000 2.340 1550 G HA2 0.089 4.098 3.960 0.082 0.000 0.282 1550 G HA3 0.089 4.098 3.960 0.082 0.000 0.282 1550 G C -1.693 172.820 174.900 -0.646 0.000 1.312 1550 G CA -0.919 44.003 45.100 -0.297 0.000 0.942 1550 G HN 0.569 nan 8.290 nan 0.000 0.495 1551 H N -1.605 117.284 119.070 -0.300 0.000 2.865 1551 H HA 0.771 5.376 4.556 0.081 0.000 0.372 1551 H C 0.883 176.031 175.328 -0.300 0.000 1.173 1551 H CA -0.587 55.119 56.048 -0.570 0.000 1.147 1551 H CB 2.197 31.100 29.762 -1.430 0.000 1.805 1551 H HN 0.387 nan 8.280 nan 0.000 0.553 1552 I N -0.451 120.064 120.570 -0.092 0.000 3.739 1552 I HA 0.183 4.402 4.170 0.082 0.000 0.272 1552 I C -0.989 175.367 176.117 0.397 0.000 1.167 1552 I CA 0.018 61.408 61.300 0.149 0.000 1.386 1552 I CB 0.941 38.884 38.000 -0.096 0.000 1.490 1552 I HN 0.369 nan 8.210 nan 0.000 0.452 1553 Y N -0.276 120.149 120.300 0.208 0.000 2.409 1553 Y HA 0.213 4.813 4.550 0.082 0.000 0.321 1553 Y C 0.618 176.646 175.900 0.214 0.000 1.209 1553 Y CA -0.942 57.308 58.100 0.250 0.000 1.086 1553 Y CB 1.455 39.992 38.460 0.128 0.000 1.320 1553 Y HN -0.152 nan 8.280 nan 0.000 0.440 1554 S N 3.369 118.950 115.700 -0.198 0.000 2.400 1554 S HA -0.177 4.342 4.470 0.082 0.000 0.232 1554 S C 1.893 176.426 174.600 -0.113 0.000 1.025 1554 S CA 1.712 59.856 58.200 -0.093 0.000 0.993 1554 S CB -0.171 62.950 63.200 -0.132 0.000 0.808 1554 S HN 0.724 nan 8.310 nan 0.000 0.478 1555 R N 0.970 121.363 120.500 -0.180 0.000 2.120 1555 R HA 0.009 4.398 4.340 0.082 0.000 0.234 1555 R C 1.850 178.186 176.300 0.061 0.000 1.123 1555 R CA 1.081 57.193 56.100 0.019 0.000 0.975 1555 R CB -0.242 30.157 30.300 0.165 0.000 0.866 1555 R HN 0.376 nan 8.270 nan 0.000 0.446 1556 L N -1.050 120.241 121.223 0.113 0.000 2.240 1556 L HA 0.221 4.610 4.340 0.082 0.000 0.211 1556 L C 0.779 177.647 176.870 -0.003 0.000 1.106 1556 L CA 0.504 55.368 54.840 0.039 0.000 0.793 1556 L CB 0.081 42.154 42.059 0.024 0.000 0.927 1556 L HN 0.376 nan 8.230 nan 0.000 0.446 1557 G N 0.243 109.052 108.800 0.014 0.000 2.219 1557 G HA2 0.061 4.070 3.960 0.082 0.000 0.304 1557 G HA3 0.061 4.070 3.960 0.082 0.000 0.304 1557 G C -1.939 172.991 174.900 0.050 0.000 1.712 1557 G CA -0.642 44.469 45.100 0.018 0.000 0.905 1557 G HN -0.045 nan 8.290 nan 0.000 0.706 1558 N N 2.968 121.676 118.700 0.013 0.000 2.314 1558 N HA 0.500 5.289 4.740 0.082 0.000 0.294 1558 N C -2.020 173.420 175.510 -0.118 0.000 1.029 1558 N CA -1.928 51.108 53.050 -0.024 0.000 0.845 1558 N CB 3.494 42.011 38.487 0.052 0.000 1.321 1558 N HN 0.048 nan 8.380 nan 0.000 0.481 1559 P HA -0.038 nan 4.420 nan 0.000 0.217 1559 P C 1.036 178.319 177.300 -0.028 0.000 1.150 1559 P CA 1.476 64.377 63.100 -0.331 0.000 0.832 1559 P CB 0.308 31.486 31.700 -0.871 0.000 0.787 1560 T N -0.744 113.927 114.554 0.195 0.000 2.746 1560 T HA -0.088 4.311 4.350 0.082 0.000 0.267 1560 T C 1.834 176.600 174.700 0.110 0.000 1.039 1560 T CA 1.288 63.557 62.100 0.281 0.000 1.142 1560 T CB -1.016 68.094 68.868 0.404 0.000 0.866 1560 T HN -0.105 nan 8.240 nan 0.000 0.444 1561 V N 1.598 121.567 119.914 0.091 0.000 2.358 1561 V HA -0.162 4.007 4.120 0.082 0.000 0.246 1561 V C 2.439 178.571 176.094 0.063 0.000 1.047 1561 V CA 1.639 63.993 62.300 0.091 0.000 1.035 1561 V CB -0.675 31.180 31.823 0.054 0.000 0.658 1561 V HN 0.526 nan 8.190 nan 0.000 0.452 1562 E N -0.409 119.786 120.200 -0.009 0.000 2.153 1562 E HA -0.252 4.147 4.350 0.082 0.000 0.194 1562 E C 2.357 178.893 176.600 -0.107 0.000 0.988 1562 E CA 1.025 57.394 56.400 -0.052 0.000 0.811 1562 E CB -0.163 29.511 29.700 -0.044 0.000 0.746 1562 E HN 0.528 nan 8.360 nan 0.000 0.466 1563 Q N 0.059 119.752 119.800 -0.178 0.000 2.050 1563 Q HA -0.186 4.203 4.340 0.082 0.000 0.202 1563 Q C 2.027 177.963 176.000 -0.107 0.000 0.980 1563 Q CA 1.301 56.947 55.803 -0.262 0.000 0.840 1563 Q CB -0.210 28.190 28.738 -0.562 0.000 0.898 1563 Q HN 0.345 nan 8.270 nan 0.000 0.424 1564 F N 1.563 121.429 119.950 -0.141 0.000 2.102 1564 F HA -0.204 4.370 4.527 0.079 0.000 0.298 1564 F C 2.026 177.781 175.800 -0.075 0.000 1.105 1564 F CA 1.607 59.551 58.000 -0.093 0.000 1.239 1564 F CB 0.069 39.034 39.000 -0.057 0.000 0.991 1564 F HN 0.123 nan 8.300 nan 0.000 0.474 1565 E N 0.078 120.134 120.200 -0.241 0.000 2.070 1565 E HA -0.286 4.114 4.350 0.082 0.000 0.197 1565 E C 1.978 178.417 176.600 -0.268 0.000 1.004 1565 E CA 1.902 58.129 56.400 -0.288 0.000 0.805 1565 E CB -0.234 29.393 29.700 -0.122 0.000 0.744 1565 E HN 0.515 nan 8.360 nan 0.000 0.451 1566 E N 0.126 120.207 120.200 -0.198 0.000 2.150 1566 E HA -0.133 4.266 4.350 0.082 0.000 0.193 1566 E C 1.956 178.449 176.600 -0.178 0.000 0.985 1566 E CA 0.944 57.248 56.400 -0.160 0.000 0.814 1566 E CB 0.037 29.660 29.700 -0.129 0.000 0.752 1566 E HN 0.246 nan 8.360 nan 0.000 0.466 1567 M N -0.443 119.024 119.600 -0.222 0.000 2.086 1567 M HA -0.167 4.362 4.480 0.082 0.000 0.261 1567 M C 2.130 178.286 176.300 -0.239 0.000 1.067 1567 M CA 1.097 56.276 55.300 -0.202 0.000 1.116 1567 M CB -0.147 32.350 32.600 -0.173 0.000 1.348 1567 M HN 0.034 nan 8.290 nan 0.000 0.407 1568 V N -0.484 119.200 119.914 -0.383 0.000 2.358 1568 V HA -0.287 3.882 4.120 0.082 0.000 0.246 1568 V C 2.469 178.454 176.094 -0.182 0.000 1.047 1568 V CA 1.724 63.834 62.300 -0.318 0.000 1.035 1568 V CB -0.658 30.904 31.823 -0.436 0.000 0.658 1568 V HN 0.693 nan 8.190 nan 0.000 0.452 1569 C N 1.167 120.366 119.300 -0.167 0.000 2.401 1569 C HA -0.192 4.317 4.460 0.082 0.000 0.276 1569 C C 3.370 178.313 174.990 -0.078 0.000 1.233 1569 C CA 1.787 60.747 59.018 -0.097 0.000 1.753 1569 C CB -1.114 26.574 27.740 -0.087 0.000 2.029 1569 C HN 0.781 nan 8.230 nan 0.000 0.478 1570 S N 1.690 117.335 115.700 -0.091 0.000 2.382 1570 S HA -0.179 4.340 4.470 0.082 0.000 0.228 1570 S C 1.696 176.261 174.600 -0.059 0.000 1.027 1570 S CA 1.803 59.963 58.200 -0.067 0.000 0.991 1570 S CB -0.953 62.208 63.200 -0.065 0.000 0.823 1570 S HN 0.853 nan 8.310 nan 0.000 0.469 1571 I N -1.291 119.235 120.570 -0.074 0.000 3.030 1571 I HA 0.181 4.400 4.170 0.082 0.000 0.270 1571 I C 1.956 178.046 176.117 -0.046 0.000 1.211 1571 I CA 0.740 62.002 61.300 -0.065 0.000 1.479 1571 I CB -0.293 37.656 38.000 -0.086 0.000 1.105 1571 I HN 0.038 nan 8.210 nan 0.000 0.447 1572 E N 2.180 122.357 120.200 -0.039 0.000 2.274 1572 E HA 0.006 4.405 4.350 0.082 0.000 0.194 1572 E C 1.617 178.215 176.600 -0.004 0.000 0.996 1572 E CA 0.942 57.339 56.400 -0.004 0.000 0.840 1572 E CB -0.184 29.526 29.700 0.016 0.000 0.772 1572 E HN 0.723 nan 8.360 nan 0.000 0.491 1573 G N 1.556 110.346 108.800 -0.016 0.000 2.246 1573 G HA2 -0.252 3.757 3.960 0.082 0.000 0.273 1573 G HA3 -0.252 3.757 3.960 0.082 0.000 0.273 1573 G C 0.296 175.191 174.900 -0.008 0.000 1.055 1573 G CA 0.424 45.516 45.100 -0.013 0.000 0.851 1573 G HN 0.496 nan 8.290 nan 0.000 0.500 1574 A N -0.768 122.047 122.820 -0.008 0.000 2.256 1574 A HA 0.953 5.322 4.320 0.082 0.000 0.318 1574 A C 1.534 179.116 177.584 -0.002 0.000 1.103 1574 A CA 0.514 52.552 52.037 0.001 0.000 0.860 1574 A CB 0.895 19.900 19.000 0.009 0.000 1.182 1574 A HN 1.672 nan 8.150 nan 0.000 0.501 1575 A N -0.216 122.609 122.820 0.008 0.000 2.066 1575 A HA 0.471 4.840 4.320 0.082 0.000 0.218 1575 A C 1.103 178.690 177.584 0.004 0.000 1.157 1575 A CA 1.518 53.559 52.037 0.007 0.000 0.670 1575 A CB -0.463 18.548 19.000 0.017 0.000 0.804 1575 A HN 2.248 nan 8.150 nan 0.000 0.453 1576 G N -2.505 106.301 108.800 0.010 0.000 2.411 1576 G HA2 0.480 4.489 3.960 0.082 0.000 0.295 1576 G HA3 0.480 4.489 3.960 0.082 0.000 0.295 1576 G C -1.233 173.676 174.900 0.016 0.000 1.542 1576 G CA 0.023 45.125 45.100 0.004 0.000 0.814 1576 G HN 0.307 nan 8.290 nan 0.000 0.557 1577 S N -1.075 114.620 115.700 -0.008 0.000 2.548 1577 S HA 0.894 5.413 4.470 0.082 0.000 0.286 1577 S C -0.212 174.378 174.600 -0.016 0.000 1.098 1577 S CA -0.108 58.091 58.200 -0.001 0.000 0.930 1577 S CB 1.888 65.048 63.200 -0.067 0.000 1.070 1577 S HN 1.738 nan 8.310 nan 0.000 0.480 1578 A N 1.418 124.247 122.820 0.015 0.000 2.356 1578 A HA 0.869 5.238 4.320 0.082 0.000 0.310 1578 A C -0.312 177.121 177.584 -0.253 0.000 1.075 1578 A CA -0.694 51.257 52.037 -0.143 0.000 0.746 1578 A CB 0.996 19.912 19.000 -0.140 0.000 1.221 1578 A HN 1.030 nan 8.150 nan 0.000 0.443 1579 A N 1.564 124.197 122.820 -0.310 0.000 2.295 1579 A HA 0.916 5.285 4.320 0.082 0.000 0.318 1579 A C -0.799 176.491 177.584 -0.491 0.000 1.134 1579 A CA -0.213 51.754 52.037 -0.118 0.000 0.827 1579 A CB 0.275 19.370 19.000 0.158 0.000 1.136 1579 A HN 0.773 nan 8.150 nan 0.000 0.493 1580 F N -0.727 119.310 119.950 0.145 0.000 2.675 1580 F HA 0.539 5.115 4.527 0.080 0.000 0.324 1580 F C 1.498 177.346 175.800 0.081 0.000 1.106 1580 F CA -0.035 58.029 58.000 0.108 0.000 0.970 1580 F CB 1.717 40.786 39.000 0.117 0.000 1.385 1580 F HN 0.609 nan 8.300 nan 0.000 0.489 1581 G N -0.373 108.597 108.800 0.283 0.000 2.598 1581 G HA2 0.281 4.290 3.960 0.082 0.000 0.215 1581 G HA3 0.281 4.290 3.960 0.082 0.000 0.215 1581 G C -0.187 174.795 174.900 0.138 0.000 1.131 1581 G CA 0.918 46.113 45.100 0.157 0.000 0.785 1581 G HN 0.645 nan 8.290 nan 0.000 0.539 1582 S N -3.540 112.265 115.700 0.176 0.000 2.595 1582 S HA 0.503 5.022 4.470 0.082 0.000 0.270 1582 S C 1.040 175.712 174.600 0.121 0.000 1.145 1582 S CA 0.143 58.413 58.200 0.118 0.000 0.825 1582 S CB 0.991 64.240 63.200 0.081 0.000 1.107 1582 S HN 0.423 nan 8.310 nan 0.000 0.461 1583 G N 0.882 109.735 108.800 0.087 0.000 2.469 1583 G HA2 -0.196 3.813 3.960 0.082 0.000 0.219 1583 G HA3 -0.196 3.813 3.960 0.082 0.000 0.219 1583 G C 1.163 176.079 174.900 0.027 0.000 1.150 1583 G CA 1.398 46.538 45.100 0.067 0.000 0.763 1583 G HN 0.552 nan 8.290 nan 0.000 0.561 1584 M N 1.150 120.773 119.600 0.038 0.000 2.149 1584 M HA -0.005 4.525 4.480 0.082 0.000 0.261 1584 M C 2.794 179.075 176.300 -0.031 0.000 1.064 1584 M CA 1.113 56.430 55.300 0.028 0.000 1.102 1584 M CB -1.740 30.898 32.600 0.062 0.000 1.369 1584 M HN 0.266 nan 8.290 nan 0.000 0.408 1585 G N -0.302 108.475 108.800 -0.039 0.000 2.418 1585 G HA2 -0.090 3.919 3.960 0.082 0.000 0.217 1585 G HA3 -0.090 3.919 3.960 0.082 0.000 0.217 1585 G C 1.671 176.199 174.900 -0.620 0.000 1.158 1585 G CA 1.283 46.304 45.100 -0.132 0.000 0.771 1585 G HN 0.554 nan 8.290 nan 0.000 0.545 1586 A N 0.664 123.090 122.820 -0.656 0.000 1.902 1586 A HA 0.052 4.421 4.320 0.082 0.000 0.217 1586 A C 2.412 179.770 177.584 -0.376 0.000 1.181 1586 A CA 1.329 52.854 52.037 -0.852 0.000 0.623 1586 A CB -0.337 18.559 19.000 -0.172 0.000 0.818 1586 A HN 0.382 nan 8.150 nan 0.000 0.443 1587 I N -0.512 119.974 120.570 -0.142 0.000 2.202 1587 I HA -0.205 4.014 4.170 0.082 0.000 0.242 1587 I C 2.726 178.841 176.117 -0.003 0.000 1.091 1587 I CA 1.389 62.702 61.300 0.021 0.000 1.368 1587 I CB -0.306 37.724 38.000 0.050 0.000 1.058 1587 I HN 0.220 nan 8.210 nan 0.000 0.410 1588 S N 0.372 116.040 115.700 -0.053 0.000 2.359 1588 S HA -0.171 4.348 4.470 0.082 0.000 0.224 1588 S C 2.151 176.633 174.600 -0.196 0.000 1.035 1588 S CA 1.823 60.008 58.200 -0.026 0.000 1.018 1588 S CB -0.217 63.009 63.200 0.043 0.000 0.876 1588 S HN 0.383 nan 8.310 nan 0.000 0.448 1589 S N 1.240 116.781 115.700 -0.264 0.000 2.447 1589 S HA 0.036 4.555 4.470 0.082 0.000 0.233 1589 S C 1.813 176.231 174.600 -0.304 0.000 1.006 1589 S CA 0.600 58.558 58.200 -0.403 0.000 0.957 1589 S CB -0.116 63.010 63.200 -0.123 0.000 0.773 1589 S HN 0.411 nan 8.310 nan 0.000 0.507 1590 S N 0.749 116.382 115.700 -0.112 0.000 2.548 1590 S HA 0.034 4.553 4.470 0.082 0.000 0.215 1590 S C 1.898 176.629 174.600 0.219 0.000 0.976 1590 S CA 0.844 59.115 58.200 0.118 0.000 0.908 1590 S CB 0.076 63.373 63.200 0.162 0.000 0.781 1590 S HN 0.829 nan 8.310 nan 0.000 0.519 1591 T N -0.380 114.214 114.554 0.065 0.000 3.151 1591 T HA 0.290 4.689 4.350 0.082 0.000 0.239 1591 T C 1.564 176.251 174.700 -0.022 0.000 0.979 1591 T CA -0.152 62.005 62.100 0.096 0.000 1.194 1591 T CB -0.627 68.288 68.868 0.079 0.000 0.982 1591 T HN 0.186 nan 8.240 nan 0.000 0.428 1592 L N 1.587 122.694 121.223 -0.193 0.000 2.465 1592 L HA 0.275 4.664 4.340 0.082 0.000 0.224 1592 L C 3.028 179.622 176.870 -0.460 0.000 1.145 1592 L CA 0.646 55.342 54.840 -0.240 0.000 0.834 1592 L CB -0.540 41.439 42.059 -0.134 0.000 0.944 1592 L HN 0.440 nan 8.230 nan 0.000 0.451 1593 A N -0.319 122.029 122.820 -0.786 0.000 2.067 1593 A HA -0.121 4.248 4.320 0.082 0.000 0.219 1593 A C 1.795 178.981 177.584 -0.663 0.000 1.158 1593 A CA 1.479 53.076 52.037 -0.733 0.000 0.661 1593 A CB -0.358 18.112 19.000 -0.884 0.000 0.801 1593 A HN 0.417 nan 8.150 nan 0.000 0.452 1594 F N -1.351 118.552 119.950 -0.078 0.000 2.619 1594 F HA 0.351 4.927 4.527 0.081 0.000 0.281 1594 F C 0.562 176.345 175.800 -0.028 0.000 1.065 1594 F CA -0.444 57.536 58.000 -0.033 0.000 1.304 1594 F CB 0.057 39.040 39.000 -0.028 0.000 1.059 1594 F HN -0.123 nan 8.300 nan 0.000 0.648 1595 L N 2.479 123.777 121.223 0.125 0.000 2.380 1595 L HA 0.292 4.681 4.340 0.082 0.000 0.273 1595 L C -0.155 176.746 176.870 0.052 0.000 1.138 1595 L CA -0.140 54.740 54.840 0.066 0.000 0.832 1595 L CB 0.821 42.891 42.059 0.019 0.000 1.124 1595 L HN 0.224 nan 8.230 nan 0.000 0.454 1596 Q N 2.413 122.243 119.800 0.050 0.000 2.544 1596 Q HA 0.370 4.759 4.340 0.082 0.000 0.291 1596 Q C -0.959 175.074 176.000 0.055 0.000 1.068 1596 Q CA -1.207 54.627 55.803 0.052 0.000 0.785 1596 Q CB 1.806 30.569 28.738 0.041 0.000 1.481 1596 Q HN 0.370 nan 8.270 nan 0.000 0.430 1597 K N -0.212 120.227 120.400 0.065 0.000 2.511 1597 K HA -0.006 4.363 4.320 0.082 0.000 0.277 1597 K C 0.607 177.232 176.600 0.041 0.000 1.025 1597 K CA 1.955 58.279 56.287 0.063 0.000 1.112 1597 K CB -0.673 31.864 32.500 0.062 0.000 0.859 1597 K HN 0.933 nan 8.250 nan 0.000 0.485 1598 G N 3.154 111.975 108.800 0.035 0.000 2.232 1598 G HA2 -0.199 3.810 3.960 0.082 0.000 0.226 1598 G HA3 -0.199 3.810 3.960 0.082 0.000 0.226 1598 G C -0.314 174.599 174.900 0.021 0.000 0.996 1598 G CA 0.140 45.254 45.100 0.022 0.000 0.626 1598 G HN 0.711 nan 8.290 nan 0.000 0.509 1599 D N 0.174 120.589 120.400 0.026 0.000 2.354 1599 D HA 0.579 5.268 4.640 0.082 0.000 0.247 1599 D C 0.147 176.470 176.300 0.037 0.000 1.138 1599 D CA 0.195 54.207 54.000 0.020 0.000 0.958 1599 D CB 1.064 41.869 40.800 0.008 0.000 1.144 1599 D HN 0.425 nan 8.370 nan 0.000 0.458 1600 H N -0.130 118.869 119.070 -0.119 0.000 2.600 1600 H HA 0.547 5.152 4.556 0.082 0.000 0.357 1600 H C -1.704 173.496 175.328 -0.213 0.000 1.106 1600 H CA -0.947 55.003 56.048 -0.163 0.000 1.193 1600 H CB 0.988 30.636 29.762 -0.189 0.000 1.594 1600 H HN 0.158 nan 8.280 nan 0.000 0.526 1601 L N 6.012 126.819 121.223 -0.693 0.000 2.356 1601 L HA 0.528 4.917 4.340 0.082 0.000 0.277 1601 L C -1.558 174.879 176.870 -0.722 0.000 0.996 1601 L CA -0.411 54.062 54.840 -0.611 0.000 0.822 1601 L CB 1.034 42.812 42.059 -0.468 0.000 1.256 1601 L HN 0.712 nan 8.230 nan 0.000 0.413 1602 I N 5.273 125.513 120.570 -0.549 0.000 2.315 1602 I HA 0.699 4.918 4.170 0.082 0.000 0.291 1602 I C 0.115 176.155 176.117 -0.130 0.000 1.006 1602 I CA -0.227 60.885 61.300 -0.314 0.000 1.265 1602 I CB 1.468 39.338 38.000 -0.216 0.000 1.387 1602 I HN 0.837 nan 8.210 nan 0.000 0.475 1603 A N 4.640 127.434 122.820 -0.042 0.000 2.413 1603 A HA 0.792 5.161 4.320 0.082 0.000 0.307 1603 A C 0.157 177.835 177.584 0.156 0.000 1.087 1603 A CA -0.654 51.464 52.037 0.135 0.000 0.750 1603 A CB 1.179 20.317 19.000 0.230 0.000 1.296 1603 A HN 0.769 nan 8.150 nan 0.000 0.423 1604 G N 0.620 109.544 108.800 0.206 0.000 2.368 1604 G HA2 0.240 4.249 3.960 0.082 0.000 0.233 1604 G HA3 0.240 4.249 3.960 0.082 0.000 0.233 1604 G C 0.385 175.362 174.900 0.128 0.000 1.267 1604 G CA 0.620 45.809 45.100 0.148 0.000 0.873 1604 G HN 0.879 nan 8.290 nan 0.000 0.539 1605 D N -0.497 119.955 120.400 0.087 0.000 2.312 1605 D HA -0.063 4.626 4.640 0.082 0.000 0.211 1605 D C 1.257 177.593 176.300 0.060 0.000 0.964 1605 D CA 1.041 55.081 54.000 0.068 0.000 0.877 1605 D CB 0.040 40.869 40.800 0.049 0.000 0.924 1605 D HN 0.405 nan 8.370 nan 0.000 0.515 1606 T N -0.528 114.063 114.554 0.063 0.000 2.833 1606 T HA 0.594 4.993 4.350 0.082 0.000 0.297 1606 T C -0.792 173.948 174.700 0.066 0.000 1.015 1606 T CA -0.833 61.297 62.100 0.050 0.000 0.963 1606 T CB 0.184 69.065 68.868 0.021 0.000 0.955 1606 T HN 0.076 nan 8.240 nan 0.000 0.449 1607 L N 3.461 124.736 121.223 0.087 0.000 2.359 1607 L HA 0.542 4.931 4.340 0.082 0.000 0.256 1607 L C -0.728 176.230 176.870 0.147 0.000 1.026 1607 L CA -1.758 53.138 54.840 0.093 0.000 0.828 1607 L CB 1.840 43.924 42.059 0.041 0.000 1.406 1607 L HN 0.673 nan 8.230 nan 0.000 0.413 1608 Y N 0.747 121.055 120.300 0.013 0.000 2.811 1608 Y HA 0.033 4.633 4.550 0.083 0.000 0.334 1608 Y C 1.256 177.032 175.900 -0.207 0.000 1.247 1608 Y CA 0.642 58.714 58.100 -0.047 0.000 1.526 1608 Y CB 1.177 39.606 38.460 -0.052 0.000 1.284 1608 Y HN 0.704 nan 8.280 nan 0.000 0.586 1609 G N 3.359 111.384 108.800 -1.291 0.000 2.556 1609 G HA2 -0.339 3.670 3.960 0.082 0.000 0.220 1609 G HA3 -0.339 3.670 3.960 0.082 0.000 0.220 1609 G C 1.458 175.859 174.900 -0.832 0.000 1.156 1609 G CA 1.288 45.766 45.100 -1.036 0.000 0.766 1609 G HN 0.811 nan 8.290 nan 0.000 0.583 1610 C N 0.389 118.983 119.300 -1.177 0.000 2.446 1610 C HA 0.083 4.592 4.460 0.082 0.000 0.279 1610 C C 3.180 177.977 174.990 -0.322 0.000 1.366 1610 C CA 1.232 59.949 59.018 -0.502 0.000 1.763 1610 C CB -0.942 26.677 27.740 -0.203 0.000 1.929 1610 C HN 0.471 nan 8.230 nan 0.000 0.509 1611 T N 1.178 115.505 114.554 -0.379 0.000 2.746 1611 T HA -0.136 4.263 4.350 0.082 0.000 0.267 1611 T C 1.894 176.222 174.700 -0.619 0.000 1.039 1611 T CA 1.534 63.309 62.100 -0.541 0.000 1.142 1611 T CB -0.289 68.271 68.868 -0.513 0.000 0.866 1611 T HN 0.375 nan 8.240 nan 0.000 0.444 1612 V N 1.411 121.094 119.914 -0.385 0.000 2.287 1612 V HA -0.197 3.972 4.120 0.082 0.000 0.248 1612 V C 2.730 178.741 176.094 -0.139 0.000 1.053 1612 V CA 2.026 64.201 62.300 -0.210 0.000 1.027 1612 V CB -0.973 30.759 31.823 -0.151 0.000 0.646 1612 V HN 0.515 nan 8.190 nan 0.000 0.447 1613 S N -0.187 115.413 115.700 -0.166 0.000 2.359 1613 S HA -0.232 4.287 4.470 0.082 0.000 0.224 1613 S C 1.970 176.591 174.600 0.034 0.000 1.035 1613 S CA 2.189 60.336 58.200 -0.088 0.000 1.018 1613 S CB -0.407 62.736 63.200 -0.095 0.000 0.876 1613 S HN 0.429 nan 8.310 nan 0.000 0.448 1614 L N 0.822 122.088 121.223 0.071 0.000 2.012 1614 L HA 0.059 4.448 4.340 0.082 0.000 0.210 1614 L C 2.073 179.144 176.870 0.335 0.000 1.073 1614 L CA 1.996 56.998 54.840 0.270 0.000 0.748 1614 L CB -0.877 41.249 42.059 0.112 0.000 0.891 1614 L HN 0.512 nan 8.230 nan 0.000 0.431 1615 F N -1.796 118.141 119.950 -0.021 0.000 2.325 1615 F HA -0.145 4.431 4.527 0.081 0.000 0.299 1615 F C 2.132 177.894 175.800 -0.064 0.000 1.090 1615 F CA 0.817 58.779 58.000 -0.063 0.000 1.392 1615 F CB -0.129 38.800 39.000 -0.119 0.000 1.053 1615 F HN 0.126 nan 8.300 nan 0.000 0.521 1616 T N -2.566 112.059 114.554 0.120 0.000 3.034 1616 T HA -0.053 4.346 4.350 0.082 0.000 0.248 1616 T C 1.627 176.290 174.700 -0.062 0.000 1.040 1616 T CA 0.480 62.589 62.100 0.015 0.000 1.107 1616 T CB 0.004 68.870 68.868 -0.002 0.000 0.932 1616 T HN 0.322 nan 8.240 nan 0.000 0.474 1617 H N -1.410 117.521 119.070 -0.232 0.000 2.368 1617 H HA 0.053 4.658 4.556 0.081 0.000 0.311 1617 H C 1.787 176.793 175.328 -0.536 0.000 1.042 1617 H CA 0.726 56.487 56.048 -0.478 0.000 1.377 1617 H CB 0.094 29.405 29.762 -0.753 0.000 1.473 1617 H HN 0.361 nan 8.280 nan 0.000 0.593 1618 W N 1.544 122.787 121.300 -0.096 0.000 2.441 1618 W HA 0.004 4.713 4.660 0.081 0.000 0.302 1618 W C 2.677 178.900 176.519 -0.494 0.000 1.191 1618 W CA 0.157 57.299 57.345 -0.338 0.000 1.327 1618 W CB -0.354 29.055 29.460 -0.086 0.000 1.128 1618 W HN 0.063 nan 8.180 nan 0.000 0.522 1619 L N 0.184 121.433 121.223 0.042 0.000 2.012 1619 L HA -0.175 4.214 4.340 0.082 0.000 0.210 1619 L C -0.448 176.389 176.870 -0.055 0.000 1.073 1619 L CA 1.508 56.381 54.840 0.055 0.000 0.748 1619 L CB -2.494 39.599 42.059 0.057 0.000 0.891 1619 L HN -0.057 nan 8.230 nan 0.000 0.431 1620 P HA -0.119 nan 4.420 nan 0.000 0.220 1620 P C 1.434 178.638 177.300 -0.161 0.000 1.148 1620 P CA 1.201 64.228 63.100 -0.120 0.000 0.803 1620 P CB -0.073 31.544 31.700 -0.138 0.000 0.782 1621 R N -1.346 118.959 120.500 -0.324 0.000 2.193 1621 R HA -0.018 4.371 4.340 0.082 0.000 0.229 1621 R C 1.358 177.578 176.300 -0.134 0.000 1.110 1621 R CA 1.017 56.917 56.100 -0.333 0.000 0.988 1621 R CB -0.591 29.386 30.300 -0.539 0.000 0.871 1621 R HN 0.307 nan 8.270 nan 0.000 0.458 1622 F N -0.450 119.533 119.950 0.054 0.000 2.645 1622 F HA 0.260 4.836 4.527 0.081 0.000 0.300 1622 F C 1.308 177.126 175.800 0.031 0.000 1.115 1622 F CA -0.159 57.876 58.000 0.058 0.000 1.355 1622 F CB 0.892 39.942 39.000 0.083 0.000 1.026 1622 F HN 0.128 nan 8.300 nan 0.000 0.536 1623 G N 1.716 110.597 108.800 0.135 0.000 2.143 1623 G HA2 -0.316 3.693 3.960 0.082 0.000 0.248 1623 G HA3 -0.316 3.693 3.960 0.082 0.000 0.248 1623 G C -0.008 174.930 174.900 0.062 0.000 0.991 1623 G CA -0.281 44.866 45.100 0.077 0.000 0.689 1623 G HN 0.376 nan 8.290 nan 0.000 0.522 1624 I N 1.062 121.670 120.570 0.063 0.000 2.331 1624 I HA 0.301 4.520 4.170 0.082 0.000 0.292 1624 I C 0.488 176.603 176.117 -0.003 0.000 0.998 1624 I CA -0.608 60.710 61.300 0.030 0.000 1.267 1624 I CB 1.043 39.063 38.000 0.032 0.000 1.386 1624 I HN 0.131 nan 8.210 nan 0.000 0.476 1625 E N 5.643 125.853 120.200 0.016 0.000 2.289 1625 E HA 0.397 4.796 4.350 0.082 0.000 0.278 1625 E C -1.054 175.546 176.600 -0.000 0.000 1.032 1625 E CA -0.437 55.995 56.400 0.052 0.000 0.854 1625 E CB 1.673 31.459 29.700 0.144 0.000 1.046 1625 E HN 0.270 nan 8.360 nan 0.000 0.409 1626 V N 3.739 123.635 119.914 -0.031 0.000 2.531 1626 V HA 0.242 4.411 4.120 0.082 0.000 0.301 1626 V C -0.673 175.395 176.094 -0.044 0.000 1.034 1626 V CA -0.920 61.306 62.300 -0.124 0.000 0.865 1626 V CB 1.913 33.656 31.823 -0.133 0.000 0.995 1626 V HN 0.654 nan 8.190 nan 0.000 0.424 1627 D N 4.346 124.704 120.400 -0.069 0.000 2.375 1627 D HA 0.543 5.232 4.640 0.082 0.000 0.247 1627 D C -0.663 175.631 176.300 -0.010 0.000 1.061 1627 D CA -0.276 53.727 54.000 0.006 0.000 0.834 1627 D CB 2.756 43.607 40.800 0.085 0.000 1.247 1627 D HN 0.317 nan 8.370 nan 0.000 0.489 1628 L N 3.348 124.586 121.223 0.025 0.000 2.282 1628 L HA 0.583 4.972 4.340 0.082 0.000 0.288 1628 L C 0.238 177.136 176.870 0.047 0.000 1.033 1628 L CA -0.790 54.078 54.840 0.048 0.000 0.807 1628 L CB 0.763 42.859 42.059 0.061 0.000 1.209 1628 L HN 0.342 nan 8.230 nan 0.000 0.423 1629 I N -1.283 119.320 120.570 0.055 0.000 2.994 1629 I HA 0.448 4.667 4.170 0.082 0.000 0.306 1629 I C -0.696 175.456 176.117 0.058 0.000 1.195 1629 I CA -0.952 60.381 61.300 0.054 0.000 1.001 1629 I CB 2.217 40.252 38.000 0.059 0.000 1.244 1629 I HN 0.317 nan 8.210 nan 0.000 0.437 1630 D N 2.917 123.347 120.400 0.050 0.000 2.357 1630 D HA 0.096 4.785 4.640 0.082 0.000 0.265 1630 D C 1.090 177.422 176.300 0.053 0.000 1.334 1630 D CA 0.355 54.382 54.000 0.046 0.000 0.984 1630 D CB 0.699 41.519 40.800 0.034 0.000 1.077 1630 D HN 0.729 nan 8.370 nan 0.000 0.514 1631 T N -0.440 114.150 114.554 0.060 0.000 3.169 1631 T HA -0.055 4.344 4.350 0.082 0.000 0.250 1631 T C 1.687 176.419 174.700 0.054 0.000 1.111 1631 T CA 0.354 62.492 62.100 0.064 0.000 1.010 1631 T CB -0.225 68.686 68.868 0.072 0.000 0.984 1631 T HN 0.257 nan 8.240 nan 0.000 0.537 1632 S N 0.389 116.117 115.700 0.046 0.000 2.489 1632 S HA -0.004 4.515 4.470 0.082 0.000 0.228 1632 S C 0.556 175.175 174.600 0.032 0.000 0.995 1632 S CA 0.034 58.257 58.200 0.039 0.000 0.934 1632 S CB -0.227 62.990 63.200 0.030 0.000 0.771 1632 S HN 0.451 nan 8.310 nan 0.000 0.522 1633 D N 1.163 121.584 120.400 0.035 0.000 2.460 1633 D HA 0.271 4.960 4.640 0.082 0.000 0.232 1633 D C 0.774 177.098 176.300 0.040 0.000 1.079 1633 D CA -0.422 53.597 54.000 0.031 0.000 0.864 1633 D CB 1.645 42.461 40.800 0.027 0.000 1.048 1633 D HN -0.021 nan 8.370 nan 0.000 0.523 1634 V N 4.553 124.488 119.914 0.035 0.000 2.490 1634 V HA -0.170 3.999 4.120 0.082 0.000 0.250 1634 V C 1.771 177.890 176.094 0.041 0.000 1.061 1634 V CA 1.719 64.042 62.300 0.039 0.000 1.064 1634 V CB -0.034 31.803 31.823 0.023 0.000 0.670 1634 V HN 0.482 nan 8.190 nan 0.000 0.461 1635 E N -0.058 120.161 120.200 0.031 0.000 2.150 1635 E HA -0.189 4.210 4.350 0.082 0.000 0.193 1635 E C 2.205 178.836 176.600 0.052 0.000 0.985 1635 E CA 1.011 57.430 56.400 0.031 0.000 0.814 1635 E CB -0.264 29.448 29.700 0.020 0.000 0.752 1635 E HN 0.624 nan 8.360 nan 0.000 0.466 1636 K N 0.604 121.037 120.400 0.055 0.000 2.097 1636 K HA -0.086 4.283 4.320 0.082 0.000 0.206 1636 K C 2.235 178.896 176.600 0.103 0.000 1.049 1636 K CA 1.047 57.375 56.287 0.068 0.000 0.933 1636 K CB -0.116 32.417 32.500 0.056 0.000 0.717 1636 K HN -0.029 nan 8.250 nan 0.000 0.442 1637 V N 1.870 121.856 119.914 0.119 0.000 2.343 1637 V HA -0.256 3.913 4.120 0.082 0.000 0.247 1637 V C 2.039 178.302 176.094 0.281 0.000 1.051 1637 V CA 1.723 64.140 62.300 0.195 0.000 1.036 1637 V CB -0.397 31.543 31.823 0.196 0.000 0.654 1637 V HN 0.303 nan 8.190 nan 0.000 0.451 1638 K N 0.283 120.786 120.400 0.170 0.000 2.147 1638 K HA -0.119 4.250 4.320 0.082 0.000 0.205 1638 K C 2.183 178.891 176.600 0.181 0.000 1.049 1638 K CA 1.475 57.838 56.287 0.127 0.000 0.936 1638 K CB -0.333 32.172 32.500 0.007 0.000 0.722 1638 K HN 0.502 nan 8.250 nan 0.000 0.446 1639 A N 0.980 123.888 122.820 0.146 0.000 2.021 1639 A HA 0.090 4.460 4.320 0.082 0.000 0.216 1639 A C 2.183 179.853 177.584 0.143 0.000 1.163 1639 A CA 1.174 53.283 52.037 0.120 0.000 0.676 1639 A CB -0.238 18.808 19.000 0.077 0.000 0.818 1639 A HN 0.277 nan 8.150 nan 0.000 0.453 1640 A N -1.756 121.169 122.820 0.174 0.000 2.167 1640 A HA 0.052 4.421 4.320 0.082 0.000 0.214 1640 A C 0.867 178.568 177.584 0.195 0.000 1.151 1640 A CA -0.322 51.810 52.037 0.159 0.000 0.735 1640 A CB -0.429 18.660 19.000 0.148 0.000 0.802 1640 A HN 0.667 nan 8.150 nan 0.000 0.467 1641 W N 1.756 123.098 121.300 0.070 0.000 2.223 1641 W HA 0.205 4.913 4.660 0.080 0.000 0.334 1641 W C -0.206 176.322 176.519 0.015 0.000 1.334 1641 W CA 0.721 58.110 57.345 0.072 0.000 1.246 1641 W CB 0.419 29.905 29.460 0.044 0.000 1.184 1641 W HN 0.124 nan 8.180 nan 0.000 0.563 1642 K N 4.495 124.839 120.400 -0.093 0.000 2.378 1642 K HA 0.278 4.647 4.320 0.082 0.000 0.244 1642 K C -1.820 174.796 176.600 0.027 0.000 1.039 1642 K CA -1.562 54.675 56.287 -0.084 0.000 0.863 1642 K CB 1.657 33.939 32.500 -0.364 0.000 1.326 1642 K HN 0.037 nan 8.250 nan 0.000 0.460 1643 P HA -0.088 nan 4.420 nan 0.000 0.225 1643 P C 0.274 177.597 177.300 0.038 0.000 1.156 1643 P CA 1.066 64.208 63.100 0.071 0.000 0.787 1643 P CB 0.132 31.855 31.700 0.039 0.000 0.802 1644 N N -1.803 116.883 118.700 -0.024 0.000 2.276 1644 N HA 0.016 4.805 4.740 0.082 0.000 0.212 1644 N C -0.444 175.052 175.510 -0.023 0.000 1.127 1644 N CA 0.208 53.250 53.050 -0.014 0.000 0.834 1644 N CB -0.986 37.490 38.487 -0.018 0.000 1.014 1644 N HN -0.129 nan 8.380 nan 0.000 0.491 1645 T N 1.612 116.104 114.554 -0.104 0.000 2.738 1645 T HA 0.156 4.555 4.350 0.082 0.000 0.293 1645 T C 0.951 175.524 174.700 -0.211 0.000 0.913 1645 T CA -0.200 61.738 62.100 -0.271 0.000 1.103 1645 T CB 1.174 69.477 68.868 -0.942 0.000 0.880 1645 T HN 0.069 nan 8.240 nan 0.000 0.526 1646 K N 2.413 122.713 120.400 -0.167 0.000 2.360 1646 K HA 0.331 4.700 4.320 0.082 0.000 0.196 1646 K C 0.281 176.823 176.600 -0.098 0.000 1.049 1646 K CA 0.195 56.433 56.287 -0.081 0.000 1.049 1646 K CB 0.663 33.141 32.500 -0.038 0.000 0.881 1646 K HN 0.577 nan 8.250 nan 0.000 0.542 1647 M N 0.406 119.899 119.600 -0.179 0.000 2.465 1647 M HA 0.271 4.800 4.480 0.082 0.000 0.284 1647 M C -1.894 174.309 176.300 -0.162 0.000 1.212 1647 M CA -0.641 54.581 55.300 -0.129 0.000 0.910 1647 M CB 2.341 34.880 32.600 -0.102 0.000 1.725 1647 M HN -0.306 nan 8.290 nan 0.000 0.477 1648 V N 3.599 123.485 119.914 -0.048 0.000 2.540 1648 V HA 0.465 4.634 4.120 0.082 0.000 0.302 1648 V C -1.665 174.467 176.094 0.064 0.000 1.035 1648 V CA -0.550 61.746 62.300 -0.006 0.000 0.873 1648 V CB 1.815 33.683 31.823 0.075 0.000 0.992 1648 V HN 0.762 nan 8.190 nan 0.000 0.428 1649 Y N 5.903 126.186 120.300 -0.028 0.000 2.328 1649 Y HA 0.748 5.348 4.550 0.084 0.000 0.336 1649 Y C -0.867 175.087 175.900 0.091 0.000 0.960 1649 Y CA -0.683 57.449 58.100 0.054 0.000 1.134 1649 Y CB 1.233 39.762 38.460 0.116 0.000 1.166 1649 Y HN 0.520 nan 8.280 nan 0.000 0.464 1650 L N 5.399 126.457 121.223 -0.275 0.000 2.354 1650 L HA 0.571 4.960 4.340 0.082 0.000 0.269 1650 L C -0.806 175.924 176.870 -0.234 0.000 1.005 1650 L CA -0.961 53.803 54.840 -0.128 0.000 0.819 1650 L CB 2.320 44.334 42.059 -0.074 0.000 1.311 1650 L HN 0.563 nan 8.230 nan 0.000 0.423 1651 E N 1.472 121.642 120.200 -0.051 0.000 2.220 1651 E HA 0.429 4.828 4.350 0.082 0.000 0.256 1651 E C -1.559 175.022 176.600 -0.031 0.000 0.881 1651 E CA -0.140 56.229 56.400 -0.052 0.000 0.766 1651 E CB 2.027 31.738 29.700 0.018 0.000 1.187 1651 E HN 0.455 nan 8.360 nan 0.000 0.419 1652 S N 4.481 120.165 115.700 -0.026 0.000 2.575 1652 S HA 0.536 5.055 4.470 0.082 0.000 0.278 1652 S C -2.771 171.863 174.600 0.056 0.000 1.139 1652 S CA -1.475 56.736 58.200 0.019 0.000 0.954 1652 S CB 1.279 64.498 63.200 0.032 0.000 1.054 1652 S HN 0.239 nan 8.310 nan 0.000 0.483 1653 P HA 0.301 nan 4.420 nan 0.000 0.269 1653 P C -0.828 176.441 177.300 -0.053 0.000 1.209 1653 P CA -0.210 62.938 63.100 0.081 0.000 0.776 1653 P CB 0.424 32.206 31.700 0.136 0.000 0.876 1654 A N 2.413 125.199 122.820 -0.057 0.000 2.386 1654 A HA 0.250 4.619 4.320 0.082 0.000 0.248 1654 A C 0.393 177.746 177.584 -0.385 0.000 1.082 1654 A CA -0.152 51.787 52.037 -0.163 0.000 0.789 1654 A CB -0.225 18.754 19.000 -0.035 0.000 1.025 1654 A HN 0.571 nan 8.150 nan 0.000 0.490 1655 N N 1.220 119.627 118.700 -0.488 0.000 2.422 1655 N HA 0.396 5.185 4.740 0.082 0.000 0.266 1655 N C -2.115 173.359 175.510 -0.060 0.000 1.007 1655 N CA -2.174 50.611 53.050 -0.441 0.000 0.941 1655 N CB 1.595 39.835 38.487 -0.411 0.000 1.115 1655 N HN 0.259 nan 8.380 nan 0.000 0.492 1656 P HA 0.104 nan 4.420 nan 0.000 0.268 1656 P C 0.719 178.063 177.300 0.073 0.000 1.248 1656 P CA 0.414 63.533 63.100 0.031 0.000 0.851 1656 P CB 0.166 31.834 31.700 -0.052 0.000 1.238 1657 T N -3.686 110.881 114.554 0.022 0.000 3.163 1657 T HA -0.032 4.367 4.350 0.082 0.000 0.260 1657 T C 1.032 175.853 174.700 0.201 0.000 1.156 1657 T CA 0.496 62.660 62.100 0.107 0.000 1.072 1657 T CB -1.732 67.186 68.868 0.084 0.000 0.937 1657 T HN 0.068 nan 8.240 nan 0.000 0.528 1658 C N 1.127 120.514 119.300 0.146 0.000 4.326 1658 C HA -0.137 4.372 4.460 0.082 0.000 0.284 1658 C C 0.757 175.912 174.990 0.275 0.000 1.419 1658 C CA 0.250 59.354 59.018 0.143 0.000 1.920 1658 C CB -2.583 25.146 27.740 -0.018 0.000 1.306 1658 C HN 0.781 nan 8.230 nan 0.000 0.786 1659 K N 0.919 121.474 120.400 0.259 0.000 2.472 1659 K HA 0.247 4.616 4.320 0.082 0.000 0.280 1659 K C 0.082 176.802 176.600 0.200 0.000 1.028 1659 K CA 0.420 56.857 56.287 0.249 0.000 1.045 1659 K CB 0.524 33.098 32.500 0.124 0.000 0.902 1659 K HN 0.350 nan 8.250 nan 0.000 0.478 1660 V N 3.887 123.939 119.914 0.230 0.000 2.432 1660 V HA 0.118 4.287 4.120 0.082 0.000 0.275 1660 V C 0.066 176.221 176.094 0.102 0.000 1.043 1660 V CA -0.421 61.982 62.300 0.172 0.000 0.925 1660 V CB 1.545 33.499 31.823 0.218 0.000 0.985 1660 V HN 0.778 nan 8.190 nan 0.000 0.466 1661 S N 2.525 118.271 115.700 0.077 0.000 2.608 1661 S HA 0.291 4.810 4.470 0.082 0.000 0.291 1661 S C -0.220 174.408 174.600 0.048 0.000 1.146 1661 S CA -0.509 57.724 58.200 0.056 0.000 1.043 1661 S CB 1.348 64.577 63.200 0.047 0.000 1.037 1661 S HN 0.887 nan 8.310 nan 0.000 0.520 1662 D N 1.588 122.012 120.400 0.040 0.000 2.483 1662 D HA 0.215 4.904 4.640 0.082 0.000 0.220 1662 D C 0.865 177.180 176.300 0.025 0.000 1.173 1662 D CA -0.178 53.840 54.000 0.031 0.000 0.964 1662 D CB -0.358 40.458 40.800 0.026 0.000 1.046 1662 D HN 0.415 nan 8.370 nan 0.000 0.517 1663 I N 2.393 122.974 120.570 0.020 0.000 2.226 1663 I HA -0.230 3.989 4.170 0.082 0.000 0.245 1663 I C 2.377 178.499 176.117 0.009 0.000 1.100 1663 I CA 0.894 62.201 61.300 0.011 0.000 1.374 1663 I CB -0.006 37.996 38.000 0.003 0.000 1.057 1663 I HN 0.328 nan 8.210 nan 0.000 0.413 1664 K N 0.700 121.103 120.400 0.004 0.000 2.097 1664 K HA -0.111 4.258 4.320 0.082 0.000 0.205 1664 K C 2.115 178.714 176.600 -0.002 0.000 1.050 1664 K CA 1.367 57.652 56.287 -0.003 0.000 0.938 1664 K CB -0.276 32.219 32.500 -0.007 0.000 0.718 1664 K HN 0.398 nan 8.250 nan 0.000 0.442 1665 G N 0.924 109.726 108.800 0.003 0.000 2.394 1665 G HA2 -0.189 3.820 3.960 0.082 0.000 0.215 1665 G HA3 -0.189 3.820 3.960 0.082 0.000 0.215 1665 G C 1.450 176.354 174.900 0.007 0.000 1.165 1665 G CA 0.554 45.655 45.100 0.002 0.000 0.784 1665 G HN 0.192 nan 8.290 nan 0.000 0.535 1666 I N 1.471 122.054 120.570 0.023 0.000 2.286 1666 I HA -0.164 4.055 4.170 0.082 0.000 0.248 1666 I C 3.268 179.410 176.117 0.043 0.000 1.115 1666 I CA 0.853 62.180 61.300 0.045 0.000 1.392 1666 I CB -0.151 37.890 38.000 0.067 0.000 1.065 1666 I HN 0.236 nan 8.210 nan 0.000 0.418 1667 A N 0.484 123.321 122.820 0.029 0.000 1.908 1667 A HA -0.169 4.200 4.320 0.082 0.000 0.218 1667 A C 2.438 180.043 177.584 0.035 0.000 1.181 1667 A CA 1.847 53.903 52.037 0.030 0.000 0.627 1667 A CB -0.959 18.046 19.000 0.007 0.000 0.818 1667 A HN 0.250 nan 8.150 nan 0.000 0.445 1668 V N -0.355 119.565 119.914 0.010 0.000 2.295 1668 V HA -0.250 3.919 4.120 0.082 0.000 0.246 1668 V C 2.585 178.677 176.094 -0.004 0.000 1.049 1668 V CA 2.030 64.335 62.300 0.010 0.000 1.024 1668 V CB -0.876 30.938 31.823 -0.015 0.000 0.648 1668 V HN 0.388 nan 8.190 nan 0.000 0.447 1669 V N -0.913 118.965 119.914 -0.059 0.000 2.287 1669 V HA -0.329 3.840 4.120 0.082 0.000 0.248 1669 V C 2.557 178.531 176.094 -0.201 0.000 1.053 1669 V CA 2.364 64.549 62.300 -0.192 0.000 1.027 1669 V CB -0.891 30.788 31.823 -0.239 0.000 0.646 1669 V HN 0.647 nan 8.190 nan 0.000 0.447 1670 C N -0.736 118.557 119.300 -0.012 0.000 2.413 1670 C HA -0.208 4.301 4.460 0.082 0.000 0.276 1670 C C 2.687 177.727 174.990 0.084 0.000 1.236 1670 C CA 1.364 60.456 59.018 0.123 0.000 1.735 1670 C CB -1.436 26.406 27.740 0.170 0.000 2.031 1670 C HN 0.695 nan 8.230 nan 0.000 0.474 1671 H N 1.029 120.091 119.070 -0.014 0.000 2.290 1671 H HA -0.150 4.455 4.556 0.082 0.000 0.298 1671 H C 2.099 177.405 175.328 -0.036 0.000 1.087 1671 H CA 2.151 58.187 56.048 -0.020 0.000 1.291 1671 H CB -0.239 29.508 29.762 -0.026 0.000 1.369 1671 H HN 0.583 nan 8.280 nan 0.000 0.492 1672 E N 0.084 120.241 120.200 -0.072 0.000 2.110 1672 E HA -0.142 4.257 4.350 0.082 0.000 0.193 1672 E C 2.134 178.633 176.600 -0.170 0.000 0.988 1672 E CA 0.789 57.105 56.400 -0.140 0.000 0.804 1672 E CB 0.066 29.703 29.700 -0.105 0.000 0.745 1672 E HN 0.446 nan 8.360 nan 0.000 0.458 1673 R N -0.645 119.754 120.500 -0.168 0.000 2.362 1673 R HA 0.136 4.525 4.340 0.082 0.000 0.227 1673 R C 0.467 176.813 176.300 0.078 0.000 0.905 1673 R CA 0.421 56.450 56.100 -0.118 0.000 1.067 1673 R CB 1.002 31.047 30.300 -0.425 0.000 1.078 1673 R HN 0.165 nan 8.270 nan 0.000 0.516 1674 G N 1.173 109.988 108.800 0.025 0.000 2.289 1674 G HA2 -0.227 3.782 3.960 0.082 0.000 0.280 1674 G HA3 -0.227 3.782 3.960 0.082 0.000 0.280 1674 G C -0.267 174.704 174.900 0.118 0.000 1.089 1674 G CA 0.168 45.294 45.100 0.043 0.000 0.939 1674 G HN 0.467 nan 8.290 nan 0.000 0.499 1675 A N -0.148 122.769 122.820 0.162 0.000 2.401 1675 A HA 0.899 5.268 4.320 0.082 0.000 0.310 1675 A C 0.326 177.950 177.584 0.066 0.000 1.075 1675 A CA -0.768 51.360 52.037 0.152 0.000 0.746 1675 A CB 1.204 20.399 19.000 0.326 0.000 1.277 1675 A HN 0.469 nan 8.150 nan 0.000 0.425 1676 R N 0.288 120.775 120.500 -0.022 0.000 2.438 1676 R HA 0.341 4.730 4.340 0.082 0.000 0.287 1676 R C -1.102 175.182 176.300 -0.026 0.000 1.077 1676 R CA -0.501 55.551 56.100 -0.080 0.000 1.034 1676 R CB 0.882 31.044 30.300 -0.231 0.000 0.993 1676 R HN 0.527 nan 8.270 nan 0.000 0.459 1677 L N 4.251 125.464 121.223 -0.017 0.000 2.265 1677 L HA 0.303 4.692 4.340 0.082 0.000 0.289 1677 L C -1.004 175.840 176.870 -0.043 0.000 1.033 1677 L CA -0.386 54.450 54.840 -0.007 0.000 0.814 1677 L CB 1.690 43.758 42.059 0.014 0.000 1.203 1677 L HN 0.259 nan 8.230 nan 0.000 0.423 1678 V N 5.947 125.828 119.914 -0.055 0.000 2.398 1678 V HA 0.565 4.734 4.120 0.082 0.000 0.286 1678 V C -0.391 175.533 176.094 -0.284 0.000 1.026 1678 V CA -0.660 61.579 62.300 -0.101 0.000 0.868 1678 V CB 1.730 33.570 31.823 0.028 0.000 0.982 1678 V HN 0.498 nan 8.190 nan 0.000 0.443 1679 V N 3.350 123.112 119.914 -0.253 0.000 2.483 1679 V HA 0.357 4.526 4.120 0.082 0.000 0.297 1679 V C -0.433 175.486 176.094 -0.292 0.000 1.027 1679 V CA -0.619 61.507 62.300 -0.291 0.000 0.855 1679 V CB 1.923 33.653 31.823 -0.155 0.000 0.995 1679 V HN 0.886 nan 8.190 nan 0.000 0.424 1680 D N 4.315 124.504 120.400 -0.351 0.000 2.352 1680 D HA 0.370 5.059 4.640 0.082 0.000 0.245 1680 D C 0.608 176.800 176.300 -0.180 0.000 1.224 1680 D CA -0.023 53.848 54.000 -0.215 0.000 0.879 1680 D CB 1.738 42.487 40.800 -0.085 0.000 1.057 1680 D HN 0.664 nan 8.370 nan 0.000 0.491 1681 A N 3.263 125.897 122.820 -0.309 0.000 2.460 1681 A HA 0.107 4.476 4.320 0.082 0.000 0.258 1681 A C 1.871 179.485 177.584 0.050 0.000 1.300 1681 A CA -0.218 51.721 52.037 -0.163 0.000 0.913 1681 A CB -0.061 18.851 19.000 -0.146 0.000 1.031 1681 A HN 0.553 nan 8.150 nan 0.000 0.512 1682 T N -0.025 114.584 114.554 0.091 0.000 2.649 1682 T HA -0.222 4.177 4.350 0.082 0.000 0.268 1682 T C 1.287 176.290 174.700 0.505 0.000 1.036 1682 T CA 1.999 64.314 62.100 0.360 0.000 1.157 1682 T CB -0.435 68.598 68.868 0.274 0.000 0.861 1682 T HN 0.480 nan 8.240 nan 0.000 0.445 1683 F N 1.242 121.310 119.950 0.197 0.000 2.546 1683 F HA 0.019 4.594 4.527 0.079 0.000 0.298 1683 F C 2.404 178.322 175.800 0.196 0.000 1.120 1683 F CA 0.658 58.802 58.000 0.239 0.000 1.456 1683 F CB -0.414 38.680 39.000 0.156 0.000 1.088 1683 F HN 0.168 nan 8.300 nan 0.000 0.572 1684 T N -2.058 112.672 114.554 0.294 0.000 2.964 1684 T HA 0.170 4.569 4.350 0.082 0.000 0.249 1684 T C 0.321 175.063 174.700 0.071 0.000 1.000 1684 T CA 0.706 62.904 62.100 0.164 0.000 0.992 1684 T CB -0.033 68.956 68.868 0.201 0.000 1.087 1684 T HN 0.223 nan 8.240 nan 0.000 0.489 1685 S N 1.437 117.225 115.700 0.147 0.000 3.461 1685 S HA -0.065 4.454 4.470 0.082 0.000 0.820 1685 S C -2.787 171.823 174.600 0.016 0.000 1.142 1685 S CA -0.171 58.044 58.200 0.024 0.000 1.078 1685 S CB -1.188 61.896 63.200 -0.193 0.000 0.674 1685 S HN 0.149 nan 8.310 nan 0.000 0.333 1686 P HA 0.214 nan 4.420 nan 0.000 0.242 1686 P C 1.361 178.583 177.300 -0.131 0.000 1.197 1686 P CA 0.821 63.879 63.100 -0.070 0.000 0.765 1686 P CB -0.640 30.970 31.700 -0.151 0.000 0.936 1687 C N -2.001 117.129 119.300 -0.282 0.000 2.467 1687 C HA 0.093 4.602 4.460 0.082 0.000 0.279 1687 C C 2.257 177.050 174.990 -0.328 0.000 1.347 1687 C CA 0.613 59.369 59.018 -0.436 0.000 1.748 1687 C CB -1.751 25.486 27.740 -0.838 0.000 1.977 1687 C HN 0.202 nan 8.230 nan 0.000 0.501 1688 F N -1.569 118.349 119.950 -0.052 0.000 2.740 1688 F HA 0.364 5.137 4.527 0.410 0.000 0.304 1688 F C 0.327 176.090 175.800 -0.061 0.000 1.098 1688 F CA -0.385 57.568 58.000 -0.079 0.000 1.258 1688 F CB 0.462 39.393 39.000 -0.115 0.000 1.061 1688 F HN -0.040 nan 8.300 nan 0.000 0.598 1689 L N 1.360 122.673 121.223 0.151 0.000 2.404 1689 L HA 0.425 4.814 4.340 0.082 0.000 0.272 1689 L C -0.974 175.948 176.870 0.087 0.000 0.980 1689 L CA -0.534 54.367 54.840 0.101 0.000 0.836 1689 L CB 1.429 43.553 42.059 0.108 0.000 1.238 1689 L HN -0.091 nan 8.230 nan 0.000 0.408 1690 K N 6.528 126.960 120.400 0.054 0.000 2.562 1690 K HA 0.378 4.747 4.320 0.082 0.000 0.206 1690 K C -2.031 174.585 176.600 0.026 0.000 1.033 1690 K CA -1.468 54.845 56.287 0.044 0.000 1.029 1690 K CB 1.250 33.764 32.500 0.024 0.000 1.393 1690 K HN 0.359 nan 8.250 nan 0.000 0.539 1691 P HA -0.187 nan 4.420 nan 0.000 0.216 1691 P C 0.872 178.170 177.300 -0.003 0.000 1.150 1691 P CA 1.145 64.245 63.100 0.000 0.000 0.843 1691 P CB 0.234 31.922 31.700 -0.020 0.000 0.787 1692 L N -1.036 120.189 121.223 0.004 0.000 2.141 1692 L HA -0.139 4.250 4.340 0.082 0.000 0.209 1692 L C 2.167 179.032 176.870 -0.007 0.000 1.094 1692 L CA 1.309 56.148 54.840 -0.001 0.000 0.763 1692 L CB -0.928 41.135 42.059 0.005 0.000 0.908 1692 L HN -0.084 nan 8.230 nan 0.000 0.437 1693 E N 0.207 120.405 120.200 -0.005 0.000 2.418 1693 E HA -0.071 4.328 4.350 0.082 0.000 0.197 1693 E C 1.874 178.466 176.600 -0.014 0.000 1.026 1693 E CA 0.667 57.062 56.400 -0.010 0.000 0.862 1693 E CB 0.043 29.740 29.700 -0.005 0.000 0.799 1693 E HN 0.441 nan 8.360 nan 0.000 0.518 1694 L N -2.180 119.035 121.223 -0.013 0.000 2.640 1694 L HA 0.320 4.709 4.340 0.082 0.000 0.230 1694 L C 1.313 178.170 176.870 -0.022 0.000 1.123 1694 L CA 0.398 55.228 54.840 -0.016 0.000 0.900 1694 L CB 0.538 42.591 42.059 -0.009 0.000 1.146 1694 L HN 0.290 nan 8.230 nan 0.000 0.484 1695 G N -0.240 108.545 108.800 -0.024 0.000 2.229 1695 G HA2 -0.172 3.837 3.960 0.082 0.000 0.189 1695 G HA3 -0.172 3.837 3.960 0.082 0.000 0.189 1695 G C 0.418 175.311 174.900 -0.012 0.000 1.000 1695 G CA -0.192 44.891 45.100 -0.029 0.000 0.663 1695 G HN 0.367 nan 8.290 nan 0.000 0.493 1696 A N 0.335 123.147 122.820 -0.012 0.000 2.406 1696 A HA 0.539 4.908 4.320 0.082 0.000 0.243 1696 A C 1.068 178.644 177.584 -0.014 0.000 1.082 1696 A CA 0.983 53.011 52.037 -0.015 0.000 0.786 1696 A CB 0.292 19.277 19.000 -0.025 0.000 1.029 1696 A HN 0.195 nan 8.150 nan 0.000 0.495 1697 D N -0.268 120.118 120.400 -0.024 0.000 2.338 1697 D HA 0.215 4.904 4.640 0.082 0.000 0.208 1697 D C -0.046 176.240 176.300 -0.023 0.000 0.997 1697 D CA 1.088 55.068 54.000 -0.034 0.000 0.880 1697 D CB 0.372 41.127 40.800 -0.075 0.000 0.980 1697 D HN 0.475 nan 8.370 nan 0.000 0.509 1698 I N 0.574 121.133 120.570 -0.018 0.000 2.644 1698 I HA 0.403 4.622 4.170 0.082 0.000 0.291 1698 I C -1.205 174.910 176.117 -0.003 0.000 1.180 1698 I CA -0.873 60.437 61.300 0.016 0.000 1.040 1698 I CB 2.522 40.548 38.000 0.044 0.000 1.255 1698 I HN -0.236 nan 8.210 nan 0.000 0.422 1699 A N 6.689 129.521 122.820 0.019 0.000 2.343 1699 A HA 0.940 5.309 4.320 0.082 0.000 0.316 1699 A C -1.106 176.484 177.584 0.010 0.000 1.104 1699 A CA -0.432 51.597 52.037 -0.014 0.000 0.768 1699 A CB 1.382 20.397 19.000 0.025 0.000 1.213 1699 A HN 0.607 nan 8.150 nan 0.000 0.456 1700 L N -0.235 120.921 121.223 -0.111 0.000 2.376 1700 L HA 0.824 5.213 4.340 0.082 0.000 0.258 1700 L C -0.777 175.917 176.870 -0.293 0.000 1.013 1700 L CA -0.496 54.322 54.840 -0.036 0.000 0.822 1700 L CB 1.748 43.837 42.059 0.051 0.000 1.388 1700 L HN 0.664 nan 8.230 nan 0.000 0.413 1701 H N -0.303 118.840 119.070 0.123 0.000 2.894 1701 H HA 0.341 4.943 4.556 0.077 0.000 0.367 1701 H C -1.104 174.304 175.328 0.133 0.000 1.144 1701 H CA -0.769 55.356 56.048 0.128 0.000 1.180 1701 H CB 2.358 32.202 29.762 0.137 0.000 1.758 1701 H HN 0.811 nan 8.280 nan 0.000 0.541 1702 S N 1.767 117.593 115.700 0.209 0.000 2.429 1702 S HA 0.061 4.580 4.470 0.082 0.000 0.292 1702 S C 1.306 176.013 174.600 0.178 0.000 1.183 1702 S CA -0.539 57.750 58.200 0.148 0.000 1.088 1702 S CB -0.153 63.076 63.200 0.048 0.000 1.018 1702 S HN 0.419 nan 8.310 nan 0.000 0.511 1703 V N 5.501 125.527 119.914 0.185 0.000 2.759 1703 V HA -0.104 4.065 4.120 0.082 0.000 0.256 1703 V C 2.341 178.480 176.094 0.074 0.000 1.080 1703 V CA 1.850 64.248 62.300 0.164 0.000 1.101 1703 V CB -0.887 31.051 31.823 0.192 0.000 0.698 1703 V HN 0.903 nan 8.190 nan 0.000 0.477 1704 S N -0.259 115.469 115.700 0.046 0.000 2.441 1704 S HA -0.190 4.329 4.470 0.082 0.000 0.242 1704 S C 1.550 176.127 174.600 -0.039 0.000 1.018 1704 S CA 1.230 59.429 58.200 -0.001 0.000 0.988 1704 S CB -0.167 63.025 63.200 -0.013 0.000 0.778 1704 S HN 0.537 nan 8.310 nan 0.000 0.498 1705 K N 0.745 121.119 120.400 -0.043 0.000 4.047 1705 K HA 0.290 4.659 4.320 0.082 0.000 0.172 1705 K C 1.555 178.051 176.600 -0.173 0.000 1.146 1705 K CA 0.233 56.416 56.287 -0.173 0.000 1.760 1705 K CB -1.212 31.181 32.500 -0.178 0.000 2.442 1705 K HN 0.231 nan 8.250 nan 0.000 0.539 1706 Y N 1.254 121.527 120.300 -0.044 0.000 2.181 1706 Y HA -0.087 4.531 4.550 0.114 0.000 0.288 1706 Y C 2.400 178.293 175.900 -0.013 0.000 1.146 1706 Y CA 0.976 59.036 58.100 -0.067 0.000 1.164 1706 Y CB -0.488 37.914 38.460 -0.098 0.000 0.982 1706 Y HN 0.144 nan 8.280 nan 0.000 0.515 1707 I N -0.015 120.648 120.570 0.154 0.000 2.127 1707 I HA -0.357 3.862 4.170 0.082 0.000 0.241 1707 I C 2.286 178.475 176.117 0.121 0.000 1.075 1707 I CA 1.972 63.340 61.300 0.113 0.000 1.334 1707 I CB -0.400 37.665 38.000 0.109 0.000 1.040 1707 I HN 0.262 nan 8.210 nan 0.000 0.405 1708 N N 0.567 119.322 118.700 0.093 0.000 2.109 1708 N HA -0.099 4.690 4.740 0.082 0.000 0.188 1708 N C 1.507 177.124 175.510 0.178 0.000 1.034 1708 N CA 1.875 54.974 53.050 0.081 0.000 0.846 1708 N CB -0.147 38.351 38.487 0.019 0.000 1.010 1708 N HN 0.365 nan 8.380 nan 0.000 0.425 1709 G N -1.327 107.529 108.800 0.094 0.000 2.196 1709 G HA2 -0.315 3.694 3.960 0.082 0.000 0.268 1709 G HA3 -0.315 3.694 3.960 0.082 0.000 0.268 1709 G C 0.324 175.182 174.900 -0.071 0.000 0.975 1709 G CA 1.145 46.262 45.100 0.029 0.000 0.648 1709 G HN 0.633 nan 8.290 nan 0.000 0.538 1710 H N -0.507 118.561 119.070 -0.003 0.000 2.542 1710 H HA 0.446 5.052 4.556 0.084 0.000 0.283 1710 H C 1.906 177.227 175.328 -0.012 0.000 1.059 1710 H CA 0.543 56.590 56.048 -0.001 0.000 1.162 1710 H CB 0.423 30.182 29.762 -0.004 0.000 1.539 1710 H HN 1.085 nan 8.280 nan 0.000 0.543 1711 G N 1.835 110.662 108.800 0.046 0.000 2.203 1711 G HA2 -0.333 3.676 3.960 0.082 0.000 0.263 1711 G HA3 -0.333 3.676 3.960 0.082 0.000 0.263 1711 G C 0.365 175.281 174.900 0.026 0.000 1.012 1711 G CA 0.914 46.021 45.100 0.012 0.000 0.749 1711 G HN 0.617 nan 8.290 nan 0.000 0.512 1712 D N -1.556 118.868 120.400 0.040 0.000 2.563 1712 D HA 0.400 5.089 4.640 0.082 0.000 0.237 1712 D C 0.276 176.583 176.300 0.012 0.000 1.282 1712 D CA -0.106 53.911 54.000 0.027 0.000 0.816 1712 D CB 0.523 41.345 40.800 0.038 0.000 1.066 1712 D HN 0.434 nan 8.370 nan 0.000 0.501 1713 V N 0.894 120.810 119.914 0.003 0.000 2.932 1713 V HA 0.374 4.543 4.120 0.082 0.000 0.307 1713 V C -0.944 175.147 176.094 -0.006 0.000 1.147 1713 V CA -0.872 61.422 62.300 -0.010 0.000 0.951 1713 V CB 2.635 34.435 31.823 -0.038 0.000 1.031 1713 V HN 0.039 nan 8.190 nan 0.000 0.426 1714 I N 3.065 123.635 120.570 0.001 0.000 2.377 1714 I HA 0.860 5.079 4.170 0.082 0.000 0.293 1714 I C 0.563 176.696 176.117 0.026 0.000 0.987 1714 I CA 0.107 61.416 61.300 0.014 0.000 1.185 1714 I CB 1.243 39.257 38.000 0.023 0.000 1.341 1714 I HN 0.828 nan 8.210 nan 0.000 0.455 1715 G N 3.259 112.087 108.800 0.048 0.000 2.601 1715 G HA2 0.672 4.681 3.960 0.082 0.000 0.291 1715 G HA3 0.672 4.681 3.960 0.082 0.000 0.291 1715 G C -1.271 173.724 174.900 0.157 0.000 1.456 1715 G CA -0.561 44.592 45.100 0.088 0.000 0.804 1715 G HN 0.833 nan 8.290 nan 0.000 0.499 1716 G N -1.793 107.164 108.800 0.261 0.000 2.605 1716 G HA2 0.834 4.843 3.960 0.082 0.000 0.296 1716 G HA3 0.834 4.843 3.960 0.082 0.000 0.296 1716 G C -1.634 173.555 174.900 0.482 0.000 1.304 1716 G CA -0.663 44.633 45.100 0.328 0.000 0.941 1716 G HN 1.561 nan 8.290 nan 0.000 0.475 1717 V N -0.428 119.761 119.914 0.459 0.000 2.932 1717 V HA 0.812 4.981 4.120 0.082 0.000 0.307 1717 V C -0.963 175.376 176.094 0.407 0.000 1.147 1717 V CA -0.562 62.015 62.300 0.461 0.000 0.951 1717 V CB 2.249 34.265 31.823 0.322 0.000 1.031 1717 V HN 1.033 nan 8.190 nan 0.000 0.426 1718 S N 3.735 119.700 115.700 0.440 0.000 2.532 1718 S HA 0.815 5.334 4.470 0.082 0.000 0.299 1718 S C -0.804 173.933 174.600 0.229 0.000 1.105 1718 S CA -0.355 58.039 58.200 0.324 0.000 1.018 1718 S CB 1.714 65.140 63.200 0.376 0.000 1.021 1718 S HN 0.911 nan 8.310 nan 0.000 0.483 1719 S N 2.690 118.487 115.700 0.162 0.000 2.500 1719 S HA 0.831 5.350 4.470 0.082 0.000 0.301 1719 S C -0.572 174.086 174.600 0.096 0.000 1.092 1719 S CA -0.659 57.605 58.200 0.107 0.000 1.030 1719 S CB 1.634 64.878 63.200 0.074 0.000 1.031 1719 S HN 0.985 nan 8.310 nan 0.000 0.483 1720 A N 1.877 124.749 122.820 0.087 0.000 2.337 1720 A HA 0.641 5.010 4.320 0.082 0.000 0.329 1720 A C 0.876 178.489 177.584 0.047 0.000 1.146 1720 A CA -0.759 51.325 52.037 0.080 0.000 0.800 1720 A CB 1.041 20.112 19.000 0.119 0.000 1.220 1720 A HN 0.830 nan 8.150 nan 0.000 0.472 1721 K N 0.797 121.215 120.400 0.030 0.000 2.057 1721 K HA -0.073 4.296 4.320 0.082 0.000 0.207 1721 K C 0.891 177.504 176.600 0.022 0.000 1.049 1721 K CA 2.130 58.427 56.287 0.017 0.000 0.931 1721 K CB -0.144 32.360 32.500 0.006 0.000 0.714 1721 K HN 0.843 nan 8.250 nan 0.000 0.440 1722 T N -3.379 111.194 114.554 0.031 0.000 2.925 1722 T HA 0.612 5.011 4.350 0.082 0.000 0.285 1722 T C 0.982 175.711 174.700 0.048 0.000 1.021 1722 T CA -0.494 61.626 62.100 0.034 0.000 1.042 1722 T CB 1.822 70.709 68.868 0.032 0.000 1.037 1722 T HN 0.089 nan 8.240 nan 0.000 0.481 1723 A N 1.561 124.404 122.820 0.039 0.000 1.933 1723 A HA -0.090 4.279 4.320 0.082 0.000 0.218 1723 A C 2.238 179.857 177.584 0.059 0.000 1.175 1723 A CA 1.360 53.422 52.037 0.041 0.000 0.628 1723 A CB -0.691 18.325 19.000 0.025 0.000 0.814 1723 A HN 0.940 nan 8.150 nan 0.000 0.444 1724 E N 0.460 120.697 120.200 0.061 0.000 2.106 1724 E HA -0.197 4.202 4.350 0.082 0.000 0.192 1724 E C 0.878 177.558 176.600 0.134 0.000 0.984 1724 E CA 1.357 57.803 56.400 0.078 0.000 0.806 1724 E CB -0.639 29.099 29.700 0.063 0.000 0.750 1724 E HN 0.533 nan 8.360 nan 0.000 0.458 1725 D N 0.747 121.243 120.400 0.161 0.000 2.149 1725 D HA -0.040 4.649 4.640 0.082 0.000 0.201 1725 D C 1.922 178.400 176.300 0.296 0.000 0.972 1725 D CA 0.350 54.528 54.000 0.297 0.000 0.835 1725 D CB -0.170 40.750 40.800 0.200 0.000 0.966 1725 D HN 0.139 nan 8.370 nan 0.000 0.476 1726 I N 0.655 121.336 120.570 0.185 0.000 2.439 1726 I HA -0.095 4.124 4.170 0.082 0.000 0.251 1726 I C 1.974 178.176 176.117 0.141 0.000 1.139 1726 I CA 0.741 62.137 61.300 0.161 0.000 1.438 1726 I CB -0.242 37.822 38.000 0.107 0.000 1.085 1726 I HN -0.083 nan 8.210 nan 0.000 0.427 1727 A N -0.768 122.124 122.820 0.120 0.000 1.933 1727 A HA -0.197 4.172 4.320 0.082 0.000 0.218 1727 A C 2.331 180.003 177.584 0.146 0.000 1.175 1727 A CA 2.371 54.477 52.037 0.115 0.000 0.628 1727 A CB -1.329 17.721 19.000 0.083 0.000 0.814 1727 A HN 0.446 nan 8.150 nan 0.000 0.444 1728 T N 0.243 114.868 114.554 0.119 0.000 2.746 1728 T HA -0.084 4.315 4.350 0.082 0.000 0.267 1728 T C 1.797 176.541 174.700 0.074 0.000 1.039 1728 T CA 1.475 63.606 62.100 0.051 0.000 1.142 1728 T CB -0.377 68.469 68.868 -0.037 0.000 0.866 1728 T HN 0.420 nan 8.240 nan 0.000 0.444 1729 I N 0.612 121.233 120.570 0.085 0.000 2.179 1729 I HA -0.183 4.036 4.170 0.082 0.000 0.242 1729 I C 2.523 178.798 176.117 0.264 0.000 1.088 1729 I CA 1.398 62.789 61.300 0.151 0.000 1.357 1729 I CB -0.222 37.924 38.000 0.242 0.000 1.051 1729 I HN 0.185 nan 8.210 nan 0.000 0.409 1730 K N -0.117 120.408 120.400 0.208 0.000 2.211 1730 K HA -0.175 4.194 4.320 0.082 0.000 0.203 1730 K C 2.043 178.747 176.600 0.173 0.000 1.050 1730 K CA 1.293 57.674 56.287 0.157 0.000 0.945 1730 K CB -0.159 32.395 32.500 0.090 0.000 0.732 1730 K HN 0.173 nan 8.250 nan 0.000 0.451 1731 F N 0.252 120.248 119.950 0.076 0.000 2.146 1731 F HA -0.223 4.353 4.527 0.081 0.000 0.298 1731 F C 2.208 178.053 175.800 0.075 0.000 1.096 1731 F CA 1.217 59.252 58.000 0.058 0.000 1.275 1731 F CB -0.225 38.798 39.000 0.040 0.000 1.008 1731 F HN 0.008 nan 8.300 nan 0.000 0.480 1732 Y N 0.959 121.379 120.300 0.199 0.000 2.181 1732 Y HA -0.259 4.341 4.550 0.082 0.000 0.288 1732 Y C 2.790 178.725 175.900 0.059 0.000 1.146 1732 Y CA 2.149 60.305 58.100 0.094 0.000 1.164 1732 Y CB -0.481 38.002 38.460 0.039 0.000 0.982 1732 Y HN -0.006 nan 8.280 nan 0.000 0.515 1733 R N 0.922 121.587 120.500 0.274 0.000 2.096 1733 R HA -0.209 4.180 4.340 0.082 0.000 0.235 1733 R C 2.421 178.728 176.300 0.012 0.000 1.127 1733 R CA 1.813 58.046 56.100 0.221 0.000 0.968 1733 R CB -0.317 30.138 30.300 0.259 0.000 0.861 1733 R HN 0.376 nan 8.270 nan 0.000 0.440 1734 K N -0.013 120.347 120.400 -0.066 0.000 2.103 1734 K HA -0.167 4.202 4.320 0.082 0.000 0.207 1734 K C 0.782 177.282 176.600 -0.167 0.000 1.048 1734 K CA 2.086 58.295 56.287 -0.129 0.000 0.930 1734 K CB 0.068 32.422 32.500 -0.243 0.000 0.716 1734 K HN 0.177 nan 8.250 nan 0.000 0.444 1735 D N -0.386 119.863 120.400 -0.252 0.000 2.277 1735 D HA 0.042 4.731 4.640 0.082 0.000 0.209 1735 D C 1.608 177.744 176.300 -0.274 0.000 0.970 1735 D CA 0.990 54.832 54.000 -0.263 0.000 0.874 1735 D CB 0.211 40.830 40.800 -0.302 0.000 0.982 1735 D HN 0.337 nan 8.370 nan 0.000 0.504 1736 A N 0.001 122.605 122.820 -0.361 0.000 1.984 1736 A HA 0.393 4.762 4.320 0.082 0.000 0.214 1736 A C 1.830 179.356 177.584 -0.097 0.000 1.173 1736 A CA 1.421 53.271 52.037 -0.311 0.000 0.673 1736 A CB -0.223 18.490 19.000 -0.477 0.000 0.830 1736 A HN 0.252 nan 8.150 nan 0.000 0.453 1737 G N -0.851 107.932 108.800 -0.029 0.000 2.132 1737 G HA2 -0.194 3.815 3.960 0.082 0.000 0.234 1737 G HA3 -0.194 3.815 3.960 0.082 0.000 0.234 1737 G C 0.370 175.315 174.900 0.074 0.000 0.989 1737 G CA 0.589 45.701 45.100 0.019 0.000 0.676 1737 G HN 1.172 nan 8.290 nan 0.000 0.522 1738 S N 0.529 116.323 115.700 0.156 0.000 2.494 1738 S HA 0.658 5.177 4.470 0.082 0.000 0.312 1738 S C 0.571 175.312 174.600 0.235 0.000 1.121 1738 S CA -0.517 57.813 58.200 0.218 0.000 1.068 1738 S CB -0.175 63.198 63.200 0.288 0.000 1.141 1738 S HN 0.467 nan 8.310 nan 0.000 0.527 1739 L N 4.582 125.876 121.223 0.118 0.000 2.334 1739 L HA 0.576 4.965 4.340 0.082 0.000 0.273 1739 L C 0.262 177.163 176.870 0.052 0.000 1.013 1739 L CA -0.797 54.071 54.840 0.047 0.000 0.816 1739 L CB 1.797 43.864 42.059 0.012 0.000 1.278 1739 L HN 0.531 nan 8.230 nan 0.000 0.431 1740 M N 2.349 121.962 119.600 0.022 0.000 2.162 1740 M HA 0.442 4.971 4.480 0.082 0.000 0.356 1740 M C 0.129 176.434 176.300 0.007 0.000 1.303 1740 M CA -0.231 55.083 55.300 0.023 0.000 1.116 1740 M CB 1.143 33.753 32.600 0.017 0.000 1.632 1740 M HN 0.756 nan 8.290 nan 0.000 0.469 1741 A N 6.984 129.807 122.820 0.005 0.000 2.445 1741 A HA 0.343 4.712 4.320 0.082 0.000 0.242 1741 A C -2.032 175.561 177.584 0.015 0.000 1.075 1741 A CA -1.262 50.777 52.037 0.003 0.000 0.777 1741 A CB -0.434 18.566 19.000 -0.000 0.000 1.013 1741 A HN 0.760 nan 8.150 nan 0.000 0.493 1742 P HA -0.205 nan 4.420 nan 0.000 0.216 1742 P C 1.593 178.943 177.300 0.082 0.000 1.153 1742 P CA 1.705 64.847 63.100 0.070 0.000 0.858 1742 P CB -0.051 31.694 31.700 0.074 0.000 0.789 1743 M N -0.195 119.430 119.600 0.042 0.000 2.117 1743 M HA -0.129 4.400 4.480 0.082 0.000 0.262 1743 M C 1.146 177.505 176.300 0.098 0.000 1.065 1743 M CA 1.880 57.213 55.300 0.055 0.000 1.114 1743 M CB -1.286 31.313 32.600 -0.001 0.000 1.361 1743 M HN -0.256 nan 8.290 nan 0.000 0.408 1744 D N 0.205 120.622 120.400 0.030 0.000 2.144 1744 D HA -0.026 4.664 4.640 0.082 0.000 0.200 1744 D C 1.995 178.233 176.300 -0.104 0.000 0.978 1744 D CA 1.648 55.633 54.000 -0.025 0.000 0.833 1744 D CB -0.374 40.402 40.800 -0.041 0.000 0.961 1744 D HN 0.510 nan 8.370 nan 0.000 0.470 1745 A N 0.304 123.077 122.820 -0.078 0.000 1.930 1745 A HA -0.137 4.232 4.320 0.082 0.000 0.217 1745 A C 2.081 179.626 177.584 -0.065 0.000 1.175 1745 A CA 0.878 52.819 52.037 -0.160 0.000 0.627 1745 A CB -0.958 18.041 19.000 -0.002 0.000 0.815 1745 A HN 0.290 nan 8.150 nan 0.000 0.443 1746 F N 0.605 120.520 119.950 -0.059 0.000 2.134 1746 F HA -0.144 4.433 4.527 0.085 0.000 0.299 1746 F C 1.809 177.569 175.800 -0.067 0.000 1.097 1746 F CA 1.797 59.786 58.000 -0.018 0.000 1.264 1746 F CB -0.225 38.781 39.000 0.009 0.000 1.001 1746 F HN 0.137 nan 8.300 nan 0.000 0.479 1747 L N -0.700 120.487 121.223 -0.061 0.000 2.056 1747 L HA -0.240 4.149 4.340 0.082 0.000 0.207 1747 L C 2.619 179.331 176.870 -0.264 0.000 1.078 1747 L CA 1.144 55.871 54.840 -0.189 0.000 0.749 1747 L CB -0.923 41.120 42.059 -0.027 0.000 0.901 1747 L HN 0.309 nan 8.230 nan 0.000 0.433 1748 C N -0.353 118.762 119.300 -0.308 0.000 2.446 1748 C HA -0.115 4.394 4.460 0.082 0.000 0.277 1748 C C 3.137 177.984 174.990 -0.238 0.000 1.275 1748 C CA 0.691 59.470 59.018 -0.398 0.000 1.727 1748 C CB -1.007 26.168 27.740 -0.942 0.000 2.010 1748 C HN 0.612 nan 8.230 nan 0.000 0.486 1749 A N 0.417 123.119 122.820 -0.198 0.000 1.902 1749 A HA -0.218 4.151 4.320 0.082 0.000 0.217 1749 A C 2.304 179.815 177.584 -0.122 0.000 1.181 1749 A CA 1.766 53.807 52.037 0.007 0.000 0.623 1749 A CB -0.654 18.357 19.000 0.018 0.000 0.818 1749 A HN 0.653 nan 8.150 nan 0.000 0.443 1750 R N -0.567 119.752 120.500 -0.302 0.000 2.073 1750 R HA -0.118 4.271 4.340 0.082 0.000 0.234 1750 R C 2.287 178.466 176.300 -0.202 0.000 1.134 1750 R CA 1.625 57.526 56.100 -0.331 0.000 0.952 1750 R CB -0.738 29.228 30.300 -0.556 0.000 0.850 1750 R HN 0.457 nan 8.270 nan 0.000 0.433 1751 G N 0.741 109.432 108.800 -0.181 0.000 2.422 1751 G HA2 -0.291 3.718 3.960 0.082 0.000 0.218 1751 G HA3 -0.291 3.718 3.960 0.082 0.000 0.218 1751 G C 1.431 176.364 174.900 0.055 0.000 1.146 1751 G CA 0.692 45.767 45.100 -0.042 0.000 0.769 1751 G HN 0.316 nan 8.290 nan 0.000 0.547 1752 M N 0.223 119.845 119.600 0.036 0.000 2.374 1752 M HA 0.030 4.559 4.480 0.082 0.000 0.264 1752 M C 2.109 178.422 176.300 0.021 0.000 1.067 1752 M CA 0.877 56.213 55.300 0.059 0.000 1.103 1752 M CB 0.050 32.717 32.600 0.111 0.000 1.402 1752 M HN 0.037 nan 8.290 nan 0.000 0.444 1753 K N -0.560 119.838 120.400 -0.004 0.000 2.209 1753 K HA -0.089 4.280 4.320 0.082 0.000 0.204 1753 K C 1.581 178.186 176.600 0.009 0.000 1.048 1753 K CA 1.835 58.113 56.287 -0.015 0.000 0.940 1753 K CB -0.797 31.679 32.500 -0.040 0.000 0.729 1753 K HN 0.483 nan 8.250 nan 0.000 0.451 1754 T N -1.539 113.038 114.554 0.039 0.000 3.134 1754 T HA 0.128 4.527 4.350 0.082 0.000 0.260 1754 T C 1.566 176.297 174.700 0.053 0.000 1.027 1754 T CA -0.334 61.797 62.100 0.053 0.000 0.913 1754 T CB 0.039 68.961 68.868 0.090 0.000 1.046 1754 T HN -0.072 nan 8.240 nan 0.000 0.553 1755 L N 2.441 123.688 121.223 0.039 0.000 1.989 1755 L HA 0.136 4.525 4.340 0.082 0.000 0.211 1755 L C -0.953 175.902 176.870 -0.025 0.000 1.071 1755 L CA 1.981 56.835 54.840 0.022 0.000 0.749 1755 L CB -1.158 40.897 42.059 -0.006 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 0.216 1756 P C 1.957 179.241 177.300 -0.027 0.000 1.150 1756 P CA 1.667 64.720 63.100 -0.079 0.000 0.837 1756 P CB -0.014 31.654 31.700 -0.054 0.000 0.786 1757 I N -1.203 119.370 120.570 0.005 0.000 2.353 1757 I HA -0.153 4.066 4.170 0.082 0.000 0.248 1757 I C 2.508 178.644 176.117 0.031 0.000 1.119 1757 I CA 1.234 62.548 61.300 0.023 0.000 1.417 1757 I CB -0.377 37.636 38.000 0.022 0.000 1.078 1757 I HN -0.192 nan 8.210 nan 0.000 0.421 1758 R N -0.162 120.364 120.500 0.043 0.000 2.092 1758 R HA -0.100 4.289 4.340 0.082 0.000 0.231 1758 R C 2.247 178.645 176.300 0.164 0.000 1.119 1758 R CA 1.201 57.336 56.100 0.059 0.000 0.970 1758 R CB -0.230 30.146 30.300 0.126 0.000 0.864 1758 R HN 0.235 nan 8.270 nan 0.000 0.440 1759 M N 0.612 120.300 119.600 0.146 0.000 2.117 1759 M HA -0.172 4.357 4.480 0.082 0.000 0.262 1759 M C 2.199 178.679 176.300 0.300 0.000 1.065 1759 M CA 1.525 56.922 55.300 0.162 0.000 1.114 1759 M CB -0.968 31.487 32.600 -0.241 0.000 1.361 1759 M HN 0.197 nan 8.290 nan 0.000 0.408 1760 Q N 0.286 120.217 119.800 0.218 0.000 2.077 1760 Q HA -0.193 4.196 4.340 0.082 0.000 0.206 1760 Q C 1.981 178.076 176.000 0.159 0.000 0.989 1760 Q CA 1.723 57.661 55.803 0.226 0.000 0.853 1760 Q CB -0.076 28.742 28.738 0.134 0.000 0.907 1760 Q HN 0.512 nan 8.270 nan 0.000 0.418 1761 I N -0.378 120.246 120.570 0.089 0.000 2.233 1761 I HA -0.257 3.962 4.170 0.082 0.000 0.243 1761 I C 2.281 178.433 176.117 0.058 0.000 1.093 1761 I CA 0.777 62.093 61.300 0.026 0.000 1.380 1761 I CB -0.527 37.434 38.000 -0.065 0.000 1.067 1761 I HN 0.271 nan 8.210 nan 0.000 0.413 1762 H N 0.512 119.659 119.070 0.130 0.000 2.289 1762 H HA -0.285 4.309 4.556 0.064 0.000 0.294 1762 H C 2.260 177.689 175.328 0.169 0.000 1.095 1762 H CA 2.367 58.514 56.048 0.164 0.000 1.256 1762 H CB -0.515 29.359 29.762 0.187 0.000 1.359 1762 H HN 0.380 nan 8.280 nan 0.000 0.487 1763 M N 0.719 120.502 119.600 0.305 0.000 2.065 1763 M HA -0.181 4.348 4.480 0.082 0.000 0.259 1763 M C 2.037 178.428 176.300 0.152 0.000 1.069 1763 M CA 1.868 57.296 55.300 0.212 0.000 1.110 1763 M CB -0.004 32.656 32.600 0.100 0.000 1.328 1763 M HN 0.185 nan 8.290 nan 0.000 0.405 1764 E N 0.238 120.507 120.200 0.115 0.000 2.072 1764 E HA -0.155 4.244 4.350 0.082 0.000 0.191 1764 E C 1.734 178.369 176.600 0.058 0.000 0.985 1764 E CA 1.574 58.013 56.400 0.066 0.000 0.801 1764 E CB -0.237 29.493 29.700 0.050 0.000 0.750 1764 E HN 0.682 nan 8.360 nan 0.000 0.452 1765 N N 0.058 118.807 118.700 0.082 0.000 2.069 1765 N HA -0.162 4.627 4.740 0.082 0.000 0.191 1765 N C 2.038 177.623 175.510 0.125 0.000 1.031 1765 N CA 0.836 53.937 53.050 0.086 0.000 0.852 1765 N CB -0.226 38.316 38.487 0.090 0.000 1.018 1765 N HN 0.135 nan 8.380 nan 0.000 0.423 1766 G N 1.599 110.518 108.800 0.197 0.000 2.446 1766 G HA2 -0.219 3.790 3.960 0.082 0.000 0.217 1766 G HA3 -0.219 3.790 3.960 0.082 0.000 0.217 1766 G C 1.566 176.436 174.900 -0.049 0.000 1.168 1766 G CA 0.512 45.773 45.100 0.269 0.000 0.771 1766 G HN 0.135 nan 8.290 nan 0.000 0.551 1767 L N -0.076 121.063 121.223 -0.141 0.000 2.012 1767 L HA -0.095 4.294 4.340 0.082 0.000 0.210 1767 L C 3.017 179.728 176.870 -0.266 0.000 1.073 1767 L CA 1.647 56.255 54.840 -0.387 0.000 0.748 1767 L CB -0.261 41.673 42.059 -0.209 0.000 0.891 1767 L HN 0.167 nan 8.230 nan 0.000 0.431 1768 K N -0.772 119.568 120.400 -0.100 0.000 2.026 1768 K HA -0.144 4.225 4.320 0.082 0.000 0.208 1768 K C 1.990 178.598 176.600 0.015 0.000 1.048 1768 K CA 1.273 57.537 56.287 -0.039 0.000 0.929 1768 K CB -0.316 32.179 32.500 -0.009 0.000 0.713 1768 K HN 0.051 nan 8.250 nan 0.000 0.439 1769 V N 1.343 121.297 119.914 0.066 0.000 2.343 1769 V HA -0.283 3.886 4.120 0.082 0.000 0.247 1769 V C 2.298 178.513 176.094 0.201 0.000 1.051 1769 V CA 2.075 64.484 62.300 0.181 0.000 1.036 1769 V CB -0.699 31.279 31.823 0.259 0.000 0.654 1769 V HN 0.397 nan 8.190 nan 0.000 0.451 1770 A N -0.425 122.393 122.820 -0.004 0.000 1.940 1770 A HA -0.254 4.115 4.320 0.082 0.000 0.219 1770 A C 2.299 179.812 177.584 -0.118 0.000 1.176 1770 A CA 2.043 53.957 52.037 -0.205 0.000 0.631 1770 A CB -0.409 18.060 19.000 -0.885 0.000 0.814 1770 A HN 0.559 nan 8.150 nan 0.000 0.446 1771 K N -1.588 118.742 120.400 -0.118 0.000 2.057 1771 K HA -0.066 4.303 4.320 0.082 0.000 0.206 1771 K C 1.800 178.406 176.600 0.011 0.000 1.050 1771 K CA 1.396 57.642 56.287 -0.068 0.000 0.935 1771 K CB -0.357 32.101 32.500 -0.071 0.000 0.715 1771 K HN 0.526 nan 8.250 nan 0.000 0.439 1772 F N 2.110 122.029 119.950 -0.051 0.000 2.065 1772 F HA -0.271 4.301 4.527 0.076 0.000 0.298 1772 F C 1.797 177.591 175.800 -0.010 0.000 1.112 1772 F CA 1.465 59.453 58.000 -0.019 0.000 1.212 1772 F CB -0.168 38.822 39.000 -0.018 0.000 0.975 1772 F HN -0.094 nan 8.300 nan 0.000 0.476 1773 L N 0.119 121.255 121.223 -0.144 0.000 2.046 1773 L HA -0.223 4.166 4.340 0.082 0.000 0.208 1773 L C 2.526 179.290 176.870 -0.177 0.000 1.077 1773 L CA 1.934 56.608 54.840 -0.277 0.000 0.747 1773 L CB -0.901 41.022 42.059 -0.228 0.000 0.896 1773 L HN 0.263 nan 8.230 nan 0.000 0.432 1774 E N 0.542 120.686 120.200 -0.094 0.000 2.110 1774 E HA -0.275 4.124 4.350 0.082 0.000 0.193 1774 E C 1.767 178.325 176.600 -0.069 0.000 0.988 1774 E CA 1.439 57.807 56.400 -0.053 0.000 0.804 1774 E CB 0.158 29.831 29.700 -0.045 0.000 0.745 1774 E HN 0.558 nan 8.360 nan 0.000 0.458 1775 Q N -0.487 119.249 119.800 -0.107 0.000 2.280 1775 Q HA 0.056 4.445 4.340 0.082 0.000 0.202 1775 Q C -0.100 175.804 176.000 -0.160 0.000 0.903 1775 Q CA 0.195 55.933 55.803 -0.108 0.000 0.948 1775 Q CB 0.063 28.751 28.738 -0.083 0.000 1.058 1775 Q HN 0.148 nan 8.270 nan 0.000 0.493 1776 H N 1.926 120.811 119.070 -0.308 0.000 2.527 1776 H HA 0.064 4.669 4.556 0.081 0.000 0.321 1776 H C 0.626 175.844 175.328 -0.183 0.000 1.087 1776 H CA 0.221 56.068 56.048 -0.335 0.000 1.337 1776 H CB 1.243 30.667 29.762 -0.563 0.000 1.440 1776 H HN 0.579 nan 8.280 nan 0.000 0.490 1777 E N 3.534 123.551 120.200 -0.304 0.000 2.267 1777 E HA -0.216 4.183 4.350 0.082 0.000 0.197 1777 E C 0.829 177.457 176.600 0.046 0.000 0.998 1777 E CA 1.126 57.454 56.400 -0.121 0.000 0.830 1777 E CB 0.135 29.727 29.700 -0.179 0.000 0.751 1777 E HN 0.370 nan 8.360 nan 0.000 0.491 1778 K N 0.210 120.774 120.400 0.273 0.000 2.404 1778 K HA 0.134 4.503 4.320 0.082 0.000 0.194 1778 K C -0.165 176.516 176.600 0.134 0.000 1.023 1778 K CA -0.095 56.312 56.287 0.202 0.000 1.094 1778 K CB 0.453 33.094 32.500 0.236 0.000 0.841 1778 K HN 0.072 nan 8.250 nan 0.000 0.523 1779 I N 1.503 122.148 120.570 0.125 0.000 2.330 1779 I HA 0.064 4.283 4.170 0.082 0.000 0.289 1779 I C 1.264 177.435 176.117 0.090 0.000 1.001 1779 I CA -0.276 61.079 61.300 0.092 0.000 1.193 1779 I CB 1.393 39.399 38.000 0.010 0.000 1.345 1779 I HN -0.194 nan 8.210 nan 0.000 0.461 1780 V N 5.383 125.365 119.914 0.114 0.000 2.323 1780 V HA -0.035 4.134 4.120 0.082 0.000 0.244 1780 V C 0.976 177.130 176.094 0.099 0.000 1.041 1780 V CA 1.457 63.814 62.300 0.094 0.000 1.025 1780 V CB -0.268 31.613 31.823 0.096 0.000 0.656 1780 V HN 0.791 nan 8.190 nan 0.000 0.451 1781 K N -0.681 119.804 120.400 0.142 0.000 2.578 1781 K HA 0.506 4.875 4.320 0.082 0.000 0.269 1781 K C -2.317 174.421 176.600 0.231 0.000 0.941 1781 K CA -0.428 55.952 56.287 0.155 0.000 0.847 1781 K CB 2.756 35.338 32.500 0.138 0.000 1.397 1781 K HN -0.059 nan 8.250 nan 0.000 0.422 1782 V N 2.866 122.918 119.914 0.231 0.000 2.525 1782 V HA 0.337 4.506 4.120 0.082 0.000 0.299 1782 V C -0.516 175.760 176.094 0.303 0.000 1.034 1782 V CA -0.863 61.618 62.300 0.301 0.000 0.863 1782 V CB 1.639 33.588 31.823 0.210 0.000 0.999 1782 V HN 0.752 nan 8.190 nan 0.000 0.423 1783 N N 3.876 122.785 118.700 0.348 0.000 2.949 1783 N HA 0.257 5.046 4.740 0.082 0.000 0.243 1783 N C -1.005 174.440 175.510 -0.109 0.000 1.113 1783 N CA -0.271 52.929 53.050 0.249 0.000 0.980 1783 N CB 0.222 38.925 38.487 0.359 0.000 1.256 1783 N HN 0.668 nan 8.380 nan 0.000 0.508 1784 H N 2.928 121.696 119.070 -0.505 0.000 2.744 1784 H HA 0.218 4.784 4.556 0.017 0.000 0.339 1784 H C -2.077 172.767 175.328 -0.806 0.000 1.004 1784 H CA -2.011 53.657 56.048 -0.634 0.000 1.257 1784 H CB 2.183 31.485 29.762 -0.767 0.000 1.552 1784 H HN 0.265 nan 8.280 nan 0.000 0.522 1785 P HA -0.098 nan 4.420 nan 0.000 0.218 1785 P C 1.214 178.368 177.300 -0.243 0.000 1.146 1785 P CA 1.405 64.240 63.100 -0.440 0.000 0.813 1785 P CB -0.012 31.560 31.700 -0.213 0.000 0.778 1786 G N -0.651 107.837 108.800 -0.520 0.000 2.744 1786 G HA2 0.061 4.070 3.960 0.082 0.000 0.211 1786 G HA3 0.061 4.070 3.960 0.082 0.000 0.211 1786 G C 0.638 175.405 174.900 -0.222 0.000 1.143 1786 G CA -0.144 44.514 45.100 -0.736 0.000 0.788 1786 G HN 0.223 nan 8.290 nan 0.000 0.534 1787 L N 0.761 121.877 121.223 -0.178 0.000 2.349 1787 L HA 0.234 4.623 4.340 0.082 0.000 0.275 1787 L C 1.299 177.940 176.870 -0.383 0.000 1.115 1787 L CA -0.672 54.024 54.840 -0.239 0.000 0.820 1787 L CB 1.256 43.229 42.059 -0.143 0.000 1.135 1787 L HN 0.092 nan 8.230 nan 0.000 0.445 1788 E N 1.081 120.993 120.200 -0.479 0.000 2.204 1788 E HA -0.165 4.234 4.350 0.082 0.000 0.195 1788 E C 1.941 178.435 176.600 -0.178 0.000 0.990 1788 E CA 1.511 57.612 56.400 -0.498 0.000 0.821 1788 E CB 0.101 29.632 29.700 -0.281 0.000 0.750 1788 E HN 0.812 nan 8.360 nan 0.000 0.477 1789 S N 0.297 115.947 115.700 -0.083 0.000 2.481 1789 S HA -0.080 4.439 4.470 0.082 0.000 0.231 1789 S C 0.683 175.327 174.600 0.073 0.000 0.996 1789 S CA -0.220 57.980 58.200 -0.001 0.000 0.942 1789 S CB -0.380 62.824 63.200 0.007 0.000 0.768 1789 S HN 0.117 nan 8.310 nan 0.000 0.520 1790 F N 4.049 123.979 119.950 -0.033 0.000 2.456 1790 F HA 0.475 5.062 4.527 0.099 0.000 0.358 1790 F C -2.611 173.227 175.800 0.063 0.000 1.095 1790 F CA -2.593 55.424 58.000 0.028 0.000 1.216 1790 F CB 0.440 39.468 39.000 0.047 0.000 1.125 1790 F HN -0.006 nan 8.300 nan 0.000 0.549 1791 P HA 0.272 nan 4.420 nan 0.000 0.271 1791 P C 0.198 177.352 177.300 -0.244 0.000 1.226 1791 P CA 0.675 63.562 63.100 -0.355 0.000 0.765 1791 P CB 0.837 32.289 31.700 -0.413 0.000 0.835 1792 G N 2.067 110.876 108.800 0.014 0.000 2.175 1792 G HA2 -0.310 3.699 3.960 0.082 0.000 0.244 1792 G HA3 -0.310 3.699 3.960 0.082 0.000 0.244 1792 G C 1.186 176.233 174.900 0.245 0.000 0.982 1792 G CA 0.309 45.485 45.100 0.127 0.000 0.641 1792 G HN 0.706 nan 8.290 nan 0.000 0.527 1793 H N 0.754 119.952 119.070 0.213 0.000 2.352 1793 H HA -0.094 4.500 4.556 0.064 0.000 0.299 1793 H C 2.071 177.493 175.328 0.157 0.000 1.097 1793 H CA 2.045 58.219 56.048 0.211 0.000 1.311 1793 H CB 0.149 30.011 29.762 0.167 0.000 1.377 1793 H HN 0.419 nan 8.280 nan 0.000 0.504 1794 D N 0.405 120.858 120.400 0.089 0.000 2.117 1794 D HA -0.102 4.587 4.640 0.082 0.000 0.197 1794 D C 2.500 178.794 176.300 -0.010 0.000 0.987 1794 D CA 0.948 54.959 54.000 0.018 0.000 0.829 1794 D CB -0.241 40.601 40.800 0.069 0.000 0.961 1794 D HN 0.431 nan 8.370 nan 0.000 0.460 1795 I N 0.828 121.415 120.570 0.029 0.000 2.252 1795 I HA -0.227 3.992 4.170 0.082 0.000 0.245 1795 I C 2.387 178.515 176.117 0.018 0.000 1.102 1795 I CA 1.089 62.405 61.300 0.027 0.000 1.385 1795 I CB -0.121 37.906 38.000 0.045 0.000 1.064 1795 I HN -0.078 nan 8.210 nan 0.000 0.414 1796 A N 0.772 123.619 122.820 0.044 0.000 1.930 1796 A HA -0.250 4.119 4.320 0.082 0.000 0.217 1796 A C 2.331 179.902 177.584 -0.021 0.000 1.175 1796 A CA 1.977 54.052 52.037 0.063 0.000 0.627 1796 A CB -0.531 18.587 19.000 0.195 0.000 0.815 1796 A HN 0.431 nan 8.150 nan 0.000 0.443 1797 K N 0.077 120.418 120.400 -0.098 0.000 2.097 1797 K HA -0.137 4.232 4.320 0.082 0.000 0.205 1797 K C 1.863 178.401 176.600 -0.103 0.000 1.050 1797 K CA 1.788 57.989 56.287 -0.144 0.000 0.938 1797 K CB -0.196 32.170 32.500 -0.223 0.000 0.718 1797 K HN 0.380 nan 8.250 nan 0.000 0.442 1798 K N 0.263 120.623 120.400 -0.067 0.000 2.026 1798 K HA -0.124 4.245 4.320 0.082 0.000 0.208 1798 K C 2.168 178.744 176.600 -0.041 0.000 1.048 1798 K CA 1.955 58.216 56.287 -0.042 0.000 0.929 1798 K CB 0.034 32.521 32.500 -0.023 0.000 0.713 1798 K HN 0.309 nan 8.250 nan 0.000 0.439 1799 Q N -0.715 119.064 119.800 -0.036 0.000 2.356 1799 Q HA 0.177 4.566 4.340 0.082 0.000 0.205 1799 Q C 0.149 176.130 176.000 -0.032 0.000 0.901 1799 Q CA 0.191 55.980 55.803 -0.024 0.000 0.938 1799 Q CB 0.610 29.345 28.738 -0.005 0.000 1.081 1799 Q HN 0.245 nan 8.270 nan 0.000 0.517 1800 M N -0.568 118.988 119.600 -0.074 0.000 2.644 1800 M HA 0.273 4.802 4.480 0.082 0.000 0.304 1800 M C 0.371 176.573 176.300 -0.164 0.000 1.215 1800 M CA -0.403 54.837 55.300 -0.101 0.000 0.871 1800 M CB 1.929 34.442 32.600 -0.146 0.000 1.740 1800 M HN -0.113 nan 8.290 nan 0.000 0.464 1801 T N -2.582 111.907 114.554 -0.109 0.000 3.069 1801 T HA 0.534 4.933 4.350 0.082 0.000 0.252 1801 T C 0.462 174.953 174.700 -0.350 0.000 1.053 1801 T CA 0.173 62.200 62.100 -0.121 0.000 0.964 1801 T CB 0.063 68.953 68.868 0.037 0.000 1.005 1801 T HN 0.934 nan 8.240 nan 0.000 0.532 1802 G N -0.230 108.146 108.800 -0.706 0.000 2.428 1802 G HA2 0.534 4.544 3.960 0.082 0.000 0.304 1802 G HA3 0.534 4.544 3.960 0.082 0.000 0.304 1802 G C -2.319 171.820 174.900 -1.268 0.000 1.303 1802 G CA -1.096 43.136 45.100 -1.447 0.000 0.825 1802 G HN 0.218 nan 8.290 nan 0.000 0.484 1803 Y N -0.642 119.255 120.300 -0.670 0.000 2.512 1803 Y HA 0.639 5.026 4.550 -0.272 0.000 0.348 1803 Y C 0.968 176.815 175.900 -0.090 0.000 0.990 1803 Y CA -0.281 57.683 58.100 -0.228 0.000 1.033 1803 Y CB 2.087 40.474 38.460 -0.122 0.000 1.259 1803 Y HN 0.851 nan 8.280 nan 0.000 0.461 1804 G N 0.040 108.915 108.800 0.126 0.000 2.653 1804 G HA2 0.334 4.343 3.960 0.082 0.000 0.265 1804 G HA3 0.334 4.343 3.960 0.082 0.000 0.265 1804 G C 0.401 175.369 174.900 0.114 0.000 1.237 1804 G CA -0.119 44.976 45.100 -0.008 0.000 0.946 1804 G HN 0.740 nan 8.290 nan 0.000 0.522 1805 S N -1.888 113.922 115.700 0.184 0.000 2.602 1805 S HA 0.253 4.772 4.470 0.082 0.000 0.240 1805 S C 0.386 175.204 174.600 0.364 0.000 0.992 1805 S CA -0.289 58.126 58.200 0.358 0.000 0.971 1805 S CB 0.338 63.787 63.200 0.415 0.000 0.855 1805 S HN 0.384 nan 8.310 nan 0.000 0.481 1806 T N 3.624 118.280 114.554 0.169 0.000 2.758 1806 T HA 0.688 5.087 4.350 0.082 0.000 0.285 1806 T C -0.753 174.055 174.700 0.180 0.000 0.981 1806 T CA -0.484 61.596 62.100 -0.034 0.000 0.965 1806 T CB 0.359 68.907 68.868 -0.533 0.000 0.927 1806 T HN 0.496 nan 8.240 nan 0.000 0.448 1807 F N 1.652 121.649 119.950 0.078 0.000 2.779 1807 F HA 0.847 5.432 4.527 0.098 0.000 0.316 1807 F C -2.184 173.721 175.800 0.175 0.000 1.164 1807 F CA -1.800 56.273 58.000 0.122 0.000 0.924 1807 F CB 1.001 40.055 39.000 0.089 0.000 1.348 1807 F HN 0.403 nan 8.300 nan 0.000 0.467 1808 L N 2.355 123.772 121.223 0.323 0.000 2.362 1808 L HA 0.841 5.231 4.340 0.082 0.000 0.271 1808 L C -1.315 175.748 176.870 0.322 0.000 1.002 1808 L CA -0.784 54.143 54.840 0.145 0.000 0.818 1808 L CB 1.856 43.981 42.059 0.111 0.000 1.298 1808 L HN 0.717 nan 8.230 nan 0.000 0.420 1809 F N 0.553 120.581 119.950 0.131 0.000 2.620 1809 F HA 0.681 5.255 4.527 0.077 0.000 0.320 1809 F C -0.704 175.159 175.800 0.106 0.000 1.069 1809 F CA -0.921 57.167 58.000 0.147 0.000 0.953 1809 F CB 1.308 40.400 39.000 0.153 0.000 1.322 1809 F HN 0.512 nan 8.300 nan 0.000 0.479 1810 E N 2.899 123.266 120.200 0.278 0.000 2.151 1810 E HA 0.363 4.762 4.350 0.082 0.000 0.275 1810 E C -0.737 175.997 176.600 0.223 0.000 0.936 1810 E CA -0.903 55.598 56.400 0.169 0.000 0.777 1810 E CB 1.022 30.804 29.700 0.137 0.000 1.108 1810 E HN 0.563 nan 8.360 nan 0.000 0.401 1811 M N 2.834 122.537 119.600 0.171 0.000 2.219 1811 M HA 0.236 4.765 4.480 0.082 0.000 0.280 1811 M C 0.916 177.283 176.300 0.111 0.000 1.189 1811 M CA -0.009 55.384 55.300 0.155 0.000 1.010 1811 M CB 0.349 33.023 32.600 0.125 0.000 1.422 1811 M HN 0.435 nan 8.290 nan 0.000 0.504 1812 K N 0.089 120.543 120.400 0.089 0.000 2.243 1812 K HA 0.014 4.383 4.320 0.082 0.000 0.201 1812 K C 0.624 177.268 176.600 0.073 0.000 1.051 1812 K CA 0.587 56.918 56.287 0.073 0.000 0.970 1812 K CB 0.251 32.786 32.500 0.058 0.000 0.755 1812 K HN 0.784 nan 8.250 nan 0.000 0.465 1813 S N -1.895 113.851 115.700 0.076 0.000 2.656 1813 S HA 0.211 4.730 4.470 0.082 0.000 0.273 1813 S C 0.226 174.902 174.600 0.126 0.000 1.168 1813 S CA -0.985 57.274 58.200 0.098 0.000 0.817 1813 S CB 0.359 63.604 63.200 0.075 0.000 1.146 1813 S HN 0.104 nan 8.310 nan 0.000 0.475 1814 F N 1.462 121.422 119.950 0.016 0.000 2.186 1814 F HA 0.055 4.631 4.527 0.081 0.000 0.299 1814 F C 2.275 178.056 175.800 -0.031 0.000 1.090 1814 F CA 1.679 59.676 58.000 -0.005 0.000 1.307 1814 F CB -0.048 38.952 39.000 -0.001 0.000 1.019 1814 F HN 0.625 nan 8.300 nan 0.000 0.489 1815 E N 0.862 120.975 120.200 -0.145 0.000 2.085 1815 E HA -0.215 4.184 4.350 0.082 0.000 0.194 1815 E C 2.357 178.823 176.600 -0.223 0.000 0.994 1815 E CA 1.252 57.519 56.400 -0.222 0.000 0.801 1815 E CB -0.884 28.775 29.700 -0.068 0.000 0.743 1815 E HN 0.521 nan 8.360 nan 0.000 0.453 1816 A N 1.137 123.881 122.820 -0.127 0.000 1.968 1816 A HA 0.049 4.418 4.320 0.082 0.000 0.217 1816 A C 2.373 179.901 177.584 -0.094 0.000 1.169 1816 A CA 1.651 53.637 52.037 -0.084 0.000 0.638 1816 A CB -0.398 18.592 19.000 -0.017 0.000 0.812 1816 A HN 0.250 nan 8.150 nan 0.000 0.446 1817 A N 0.099 122.841 122.820 -0.129 0.000 1.898 1817 A HA -0.142 4.227 4.320 0.082 0.000 0.216 1817 A C 2.131 179.584 177.584 -0.217 0.000 1.181 1817 A CA 1.890 53.855 52.037 -0.121 0.000 0.620 1817 A CB -0.439 18.507 19.000 -0.090 0.000 0.819 1817 A HN 0.534 nan 8.150 nan 0.000 0.442 1818 K N -0.113 120.031 120.400 -0.428 0.000 2.026 1818 K HA -0.197 4.172 4.320 0.082 0.000 0.208 1818 K C 2.138 178.635 176.600 -0.172 0.000 1.048 1818 K CA 1.827 57.878 56.287 -0.394 0.000 0.929 1818 K CB -0.213 31.923 32.500 -0.606 0.000 0.713 1818 K HN 0.393 nan 8.250 nan 0.000 0.439 1819 K N 0.493 120.791 120.400 -0.170 0.000 2.032 1819 K HA -0.190 4.179 4.320 0.082 0.000 0.209 1819 K C 2.216 178.772 176.600 -0.072 0.000 1.048 1819 K CA 1.609 57.806 56.287 -0.151 0.000 0.927 1819 K CB -0.211 32.179 32.500 -0.183 0.000 0.712 1819 K HN 0.145 nan 8.250 nan 0.000 0.441 1820 L N 0.721 121.921 121.223 -0.039 0.000 2.027 1820 L HA -0.107 4.282 4.340 0.082 0.000 0.206 1820 L C 2.059 178.968 176.870 0.066 0.000 1.074 1820 L CA 1.709 56.564 54.840 0.026 0.000 0.745 1820 L CB -0.264 41.835 42.059 0.066 0.000 0.898 1820 L HN 0.248 nan 8.230 nan 0.000 0.433 1821 M N -1.040 118.583 119.600 0.039 0.000 2.296 1821 M HA -0.144 4.385 4.480 0.082 0.000 0.265 1821 M C 1.528 177.859 176.300 0.052 0.000 1.064 1821 M CA 1.460 56.785 55.300 0.041 0.000 1.109 1821 M CB -0.127 32.474 32.600 0.003 0.000 1.396 1821 M HN 0.325 nan 8.290 nan 0.000 0.430 1822 E N -1.545 118.713 120.200 0.095 0.000 2.481 1822 E HA -0.018 4.381 4.350 0.082 0.000 0.198 1822 E C 0.112 176.729 176.600 0.030 0.000 1.027 1822 E CA 0.246 56.694 56.400 0.080 0.000 0.900 1822 E CB 0.363 30.113 29.700 0.083 0.000 0.993 1822 E HN 0.518 nan 8.360 nan 0.000 0.482 1823 H N -0.620 118.442 119.070 -0.014 0.000 2.567 1823 H HA 0.264 4.869 4.556 0.081 0.000 0.267 1823 H C -0.540 174.788 175.328 -0.001 0.000 1.148 1823 H CA -0.206 55.838 56.048 -0.007 0.000 1.031 1823 H CB 0.276 30.033 29.762 -0.008 0.000 1.691 1823 H HN -0.071 nan 8.280 nan 0.000 0.588 1824 L N 0.701 121.970 121.223 0.078 0.000 2.350 1824 L HA 0.277 4.666 4.340 0.082 0.000 0.275 1824 L C 1.097 177.978 176.870 0.018 0.000 1.099 1824 L CA -0.162 54.706 54.840 0.048 0.000 0.808 1824 L CB 1.549 43.635 42.059 0.044 0.000 1.149 1824 L HN 0.174 nan 8.230 nan 0.000 0.442 1825 K N 1.571 121.979 120.400 0.013 0.000 2.335 1825 K HA 0.094 4.463 4.320 0.082 0.000 0.195 1825 K C 1.252 177.851 176.600 -0.001 0.000 1.058 1825 K CA 0.389 56.677 56.287 0.001 0.000 0.988 1825 K CB 0.624 33.125 32.500 0.001 0.000 0.880 1825 K HN 0.441 nan 8.250 nan 0.000 0.513 1826 V N 1.459 121.373 119.914 0.001 0.000 2.599 1826 V HA -0.033 4.136 4.120 0.082 0.000 0.237 1826 V C 1.155 177.251 176.094 0.003 0.000 1.081 1826 V CA 0.247 62.546 62.300 -0.001 0.000 1.107 1826 V CB 0.072 31.891 31.823 -0.006 0.000 0.808 1826 V HN 0.233 nan 8.190 nan 0.000 0.486 1827 C N 2.033 121.339 119.300 0.009 0.000 2.634 1827 C HA 0.337 4.846 4.460 0.082 0.000 0.417 1827 C C 0.864 175.861 174.990 0.013 0.000 1.334 1827 C CA -0.128 58.899 59.018 0.015 0.000 1.829 1827 C CB -0.964 26.792 27.740 0.027 0.000 2.665 1827 C HN 0.482 nan 8.230 nan 0.000 0.614 1828 T N 3.575 118.135 114.554 0.010 0.000 2.794 1828 T HA 0.380 4.779 4.350 0.082 0.000 0.280 1828 T C -0.269 174.438 174.700 0.012 0.000 0.987 1828 T CA -0.359 61.746 62.100 0.008 0.000 0.993 1828 T CB 1.075 69.945 68.868 0.004 0.000 0.939 1828 T HN 0.513 nan 8.240 nan 0.000 0.449 1829 L N 4.192 125.424 121.223 0.014 0.000 2.407 1829 L HA 0.619 5.008 4.340 0.082 0.000 0.282 1829 L C -0.121 176.761 176.870 0.021 0.000 1.110 1829 L CA 0.385 55.238 54.840 0.021 0.000 0.863 1829 L CB -1.193 40.879 42.059 0.021 0.000 1.207 1829 L HN 0.853 nan 8.230 nan 0.000 0.454 1830 A N 4.005 126.839 122.820 0.023 0.000 2.608 1830 A HA 0.649 5.018 4.320 0.082 0.000 0.292 1830 A C -0.716 176.883 177.584 0.026 0.000 1.066 1830 A CA -0.224 51.826 52.037 0.022 0.000 0.676 1830 A CB 0.877 19.883 19.000 0.011 0.000 1.277 1830 A HN 0.909 nan 8.150 nan 0.000 0.413 1831 V N -0.472 119.462 119.914 0.033 0.000 3.385 1831 V HA 0.855 5.024 4.120 0.082 0.000 0.301 1831 V C 0.573 176.673 176.094 0.010 0.000 1.082 1831 V CA 0.556 62.880 62.300 0.041 0.000 1.085 1831 V CB 0.758 32.620 31.823 0.064 0.000 1.152 1831 V HN 2.737 nan 8.190 nan 0.000 0.465 1832 S N 0.269 115.970 115.700 0.003 0.000 4.096 1832 S HA 0.055 4.574 4.470 0.082 0.000 0.650 1832 S C -1.008 173.536 174.600 -0.093 0.000 1.154 1832 S CA 0.405 58.575 58.200 -0.050 0.000 1.313 1832 S CB -1.066 62.100 63.200 -0.057 0.000 0.336 1832 S HN 2.565 nan 8.310 nan 0.000 1.523 1833 L N -1.534 119.581 121.223 -0.180 0.000 2.838 1833 L HA 0.823 5.212 4.340 0.082 0.000 0.266 1833 L C 0.793 177.356 176.870 -0.511 0.000 1.040 1833 L CA 0.006 54.663 54.840 -0.305 0.000 0.906 1833 L CB 0.876 42.719 42.059 -0.360 0.000 1.501 1833 L HN 2.218 nan 8.230 nan 0.000 0.407 1834 G N -0.547 107.778 108.800 -0.792 0.000 2.179 1834 G HA2 -0.246 3.763 3.960 0.082 0.000 0.257 1834 G HA3 -0.246 3.763 3.960 0.082 0.000 0.257 1834 G C 0.188 174.711 174.900 -0.629 0.000 1.010 1834 G CA 0.288 44.514 45.100 -1.457 0.000 0.736 1834 G HN 0.968 nan 8.290 nan 0.000 0.513 1835 C N -0.397 118.730 119.300 -0.289 0.000 2.362 1835 C HA 0.589 5.098 4.460 0.082 0.000 0.363 1835 C C 2.599 177.611 174.990 0.036 0.000 1.220 1835 C CA 0.062 59.013 59.018 -0.110 0.000 2.379 1835 C CB 0.805 28.495 27.740 -0.083 0.000 2.351 1835 C HN 1.149 nan 8.230 nan 0.000 0.582 1836 V N 1.334 121.233 119.914 -0.025 0.000 2.568 1836 V HA -0.004 4.165 4.120 0.082 0.000 0.253 1836 V C 0.796 176.888 176.094 -0.004 0.000 1.072 1836 V CA 1.880 64.159 62.300 -0.034 0.000 1.084 1836 V CB -1.041 30.677 31.823 -0.175 0.000 0.676 1836 V HN 0.927 nan 8.190 nan 0.000 0.469 1837 D N -0.155 120.244 120.400 -0.001 0.000 2.268 1837 D HA 0.221 4.910 4.640 0.082 0.000 0.249 1837 D C -0.329 175.984 176.300 0.021 0.000 1.008 1837 D CA -0.429 53.575 54.000 0.006 0.000 0.939 1837 D CB 1.426 42.224 40.800 -0.004 0.000 1.170 1837 D HN 0.164 nan 8.370 nan 0.000 0.468 1838 T N 1.151 115.718 114.554 0.022 0.000 2.870 1838 T HA 0.320 4.719 4.350 0.082 0.000 0.300 1838 T C -0.049 174.656 174.700 0.007 0.000 0.989 1838 T CA -0.363 61.752 62.100 0.025 0.000 1.139 1838 T CB 0.253 69.138 68.868 0.030 0.000 0.920 1838 T HN 0.169 nan 8.240 nan 0.000 0.537 1839 L N 3.328 124.548 121.223 -0.006 0.000 2.333 1839 L HA 0.726 5.115 4.340 0.082 0.000 0.269 1839 L C -0.306 176.559 176.870 -0.008 0.000 1.010 1839 L CA -0.770 54.063 54.840 -0.013 0.000 0.818 1839 L CB 1.754 43.792 42.059 -0.034 0.000 1.306 1839 L HN 0.637 nan 8.230 nan 0.000 0.430 1840 I N 1.046 121.620 120.570 0.006 0.000 2.722 1840 I HA 0.524 4.743 4.170 0.082 0.000 0.295 1840 I C -1.251 174.881 176.117 0.025 0.000 1.161 1840 I CA -0.115 61.194 61.300 0.015 0.000 1.032 1840 I CB 1.906 39.932 38.000 0.043 0.000 1.244 1840 I HN 0.614 nan 8.210 nan 0.000 0.421 1841 E N 5.365 125.579 120.200 0.024 0.000 2.412 1841 E HA 0.235 4.634 4.350 0.082 0.000 0.279 1841 E C -1.879 174.776 176.600 0.092 0.000 0.984 1841 E CA -0.615 55.822 56.400 0.060 0.000 0.788 1841 E CB 1.997 31.730 29.700 0.056 0.000 1.277 1841 E HN 0.698 nan 8.360 nan 0.000 0.455 1842 H N 4.550 123.636 119.070 0.026 0.000 2.725 1842 H HA 0.304 4.909 4.556 0.081 0.000 0.283 1842 H C -2.074 173.291 175.328 0.063 0.000 1.110 1842 H CA -2.081 53.989 56.048 0.037 0.000 1.289 1842 H CB 1.596 31.409 29.762 0.086 0.000 1.400 1842 H HN 0.173 nan 8.280 nan 0.000 0.493 1843 P HA -0.148 nan 4.420 nan 0.000 0.215 1843 P C 1.410 178.612 177.300 -0.163 0.000 1.153 1843 P CA 1.918 64.960 63.100 -0.097 0.000 0.853 1843 P CB 0.178 31.797 31.700 -0.136 0.000 0.788 1844 A N -0.098 122.462 122.820 -0.433 0.000 1.940 1844 A HA -0.186 4.183 4.320 0.082 0.000 0.219 1844 A C 2.169 179.669 177.584 -0.140 0.000 1.176 1844 A CA 2.484 54.347 52.037 -0.290 0.000 0.631 1844 A CB -1.335 17.469 19.000 -0.327 0.000 0.814 1844 A HN 0.374 nan 8.150 nan 0.000 0.446 1845 S N -3.096 112.545 115.700 -0.098 0.000 2.559 1845 S HA 0.489 5.008 4.470 0.082 0.000 0.226 1845 S C 0.988 175.645 174.600 0.096 0.000 1.000 1845 S CA 0.249 58.505 58.200 0.094 0.000 0.948 1845 S CB 0.016 63.388 63.200 0.287 0.000 0.870 1845 S HN 0.434 nan 8.310 nan 0.000 0.497 1846 M N 1.008 120.648 119.600 0.066 0.000 3.105 1846 M HA 0.192 4.721 4.480 0.082 0.000 0.157 1846 M C 2.271 178.603 176.300 0.053 0.000 1.882 1846 M CA 0.786 56.131 55.300 0.075 0.000 1.650 1846 M CB -0.593 32.070 32.600 0.105 0.000 0.973 1846 M HN 0.228 nan 8.290 nan 0.000 0.629 1847 T N -1.259 113.353 114.554 0.096 0.000 2.737 1847 T HA -0.199 4.200 4.350 0.082 0.000 0.269 1847 T C 0.994 175.598 174.700 -0.160 0.000 1.040 1847 T CA 1.955 64.098 62.100 0.072 0.000 1.142 1847 T CB -0.629 68.387 68.868 0.246 0.000 0.861 1847 T HN 0.445 nan 8.240 nan 0.000 0.456 1848 H N 0.010 119.049 119.070 -0.052 0.000 2.486 1848 H HA 0.749 5.354 4.556 0.081 0.000 0.284 1848 H C 1.915 177.190 175.328 -0.089 0.000 1.103 1848 H CA -0.089 55.904 56.048 -0.091 0.000 1.089 1848 H CB -0.036 29.677 29.762 -0.081 0.000 1.603 1848 H HN 0.472 nan 8.280 nan 0.000 0.557 1849 A N 0.790 123.606 122.820 -0.006 0.000 1.972 1849 A HA -0.084 4.285 4.320 0.082 0.000 0.219 1849 A C 2.280 179.839 177.584 -0.042 0.000 1.169 1849 A CA 1.684 53.709 52.037 -0.020 0.000 0.635 1849 A CB -0.521 18.473 19.000 -0.010 0.000 0.810 1849 A HN 0.456 nan 8.150 nan 0.000 0.446 1850 A N -0.826 121.950 122.820 -0.073 0.000 2.178 1850 A HA 0.420 4.789 4.320 0.082 0.000 0.211 1850 A C 0.831 178.361 177.584 -0.091 0.000 1.157 1850 A CA 0.089 52.073 52.037 -0.088 0.000 0.780 1850 A CB -0.363 18.570 19.000 -0.111 0.000 0.828 1850 A HN 0.239 nan 8.150 nan 0.000 0.476 1851 V N 2.531 122.397 119.914 -0.081 0.000 2.540 1851 V HA 0.075 4.244 4.120 0.082 0.000 0.297 1851 V C -2.082 173.987 176.094 -0.042 0.000 1.024 1851 V CA -0.946 61.319 62.300 -0.059 0.000 1.105 1851 V CB 0.240 32.060 31.823 -0.005 0.000 0.938 1851 V HN 0.294 nan 8.190 nan 0.000 0.482 1852 P HA 0.032 nan 4.420 nan 0.000 0.265 1852 P C 0.983 178.267 177.300 -0.027 0.000 1.187 1852 P CA 0.135 63.213 63.100 -0.037 0.000 0.766 1852 P CB 0.506 32.185 31.700 -0.035 0.000 0.820 1853 E N 2.265 122.449 120.200 -0.027 0.000 2.113 1853 E HA -0.335 4.064 4.350 0.082 0.000 0.210 1853 E C 1.602 178.191 176.600 -0.018 0.000 1.040 1853 E CA 1.943 58.329 56.400 -0.024 0.000 0.847 1853 E CB -0.287 29.399 29.700 -0.024 0.000 0.755 1853 E HN 0.601 nan 8.360 nan 0.000 0.459 1854 N N 1.120 119.810 118.700 -0.016 0.000 2.244 1854 N HA -0.151 4.638 4.740 0.082 0.000 0.183 1854 N C 1.746 177.252 175.510 -0.007 0.000 1.016 1854 N CA 1.191 54.234 53.050 -0.011 0.000 0.866 1854 N CB -0.539 37.941 38.487 -0.010 0.000 0.980 1854 N HN 0.270 nan 8.380 nan 0.000 0.430 1855 I N -0.014 120.552 120.570 -0.007 0.000 2.500 1855 I HA -0.082 4.137 4.170 0.082 0.000 0.252 1855 I C 2.521 178.637 176.117 -0.001 0.000 1.142 1855 I CA 0.613 61.913 61.300 0.000 0.000 1.451 1855 I CB -0.197 37.803 38.000 0.001 0.000 1.093 1855 I HN 0.053 nan 8.210 nan 0.000 0.430 1856 M N 0.793 120.388 119.600 -0.008 0.000 2.080 1856 M HA -0.210 4.319 4.480 0.082 0.000 0.260 1856 M C 2.391 178.680 176.300 -0.018 0.000 1.068 1856 M CA 1.919 57.210 55.300 -0.015 0.000 1.109 1856 M CB -0.199 32.388 32.600 -0.020 0.000 1.342 1856 M HN -0.021 nan 8.290 nan 0.000 0.405 1857 R N -0.504 119.987 120.500 -0.014 0.000 2.070 1857 R HA -0.148 4.241 4.340 0.082 0.000 0.233 1857 R C 2.203 178.499 176.300 -0.007 0.000 1.137 1857 R CA 1.635 57.729 56.100 -0.011 0.000 0.945 1857 R CB -0.291 30.004 30.300 -0.008 0.000 0.845 1857 R HN 0.150 nan 8.270 nan 0.000 0.430 1858 K N 0.729 121.128 120.400 -0.002 0.000 2.209 1858 K HA -0.131 4.238 4.320 0.082 0.000 0.204 1858 K C 1.963 178.565 176.600 0.003 0.000 1.048 1858 K CA 1.405 57.694 56.287 0.003 0.000 0.940 1858 K CB 0.055 32.560 32.500 0.009 0.000 0.729 1858 K HN 0.224 nan 8.250 nan 0.000 0.451 1859 Q N -1.551 118.247 119.800 -0.003 0.000 2.230 1859 Q HA 0.050 4.439 4.340 0.082 0.000 0.202 1859 Q C 0.724 176.713 176.000 -0.019 0.000 0.963 1859 Q CA 0.864 56.660 55.803 -0.011 0.000 0.866 1859 Q CB 0.306 29.029 28.738 -0.026 0.000 0.931 1859 Q HN 0.476 nan 8.270 nan 0.000 0.452 1860 G N 1.100 109.889 108.800 -0.018 0.000 2.149 1860 G HA2 -0.242 3.767 3.960 0.082 0.000 0.235 1860 G HA3 -0.242 3.767 3.960 0.082 0.000 0.235 1860 G C -0.281 174.601 174.900 -0.030 0.000 1.018 1860 G CA -0.241 44.850 45.100 -0.014 0.000 0.728 1860 G HN 0.182 nan 8.290 nan 0.000 0.508 1861 I N 2.255 122.792 120.570 -0.054 0.000 2.325 1861 I HA 0.554 4.773 4.170 0.082 0.000 0.291 1861 I C 0.912 176.992 176.117 -0.062 0.000 1.019 1861 I CA 0.440 61.690 61.300 -0.083 0.000 1.302 1861 I CB 1.490 39.409 38.000 -0.135 0.000 1.401 1861 I HN 0.346 nan 8.210 nan 0.000 0.485 1862 T N 3.020 117.544 114.554 -0.050 0.000 2.916 1862 T HA 0.496 4.895 4.350 0.082 0.000 0.292 1862 T C -2.266 172.436 174.700 0.004 0.000 1.055 1862 T CA -2.019 60.069 62.100 -0.020 0.000 1.009 1862 T CB 1.869 70.743 68.868 0.011 0.000 1.118 1862 T HN 0.179 nan 8.240 nan 0.000 0.497 1863 P HA 0.031 nan 4.420 nan 0.000 0.226 1863 P C 0.673 178.213 177.300 0.400 0.000 1.146 1863 P CA 0.727 63.965 63.100 0.231 0.000 0.773 1863 P CB 0.031 31.746 31.700 0.025 0.000 0.772 1864 E N -1.150 119.176 120.200 0.209 0.000 2.478 1864 E HA 0.074 4.473 4.350 0.082 0.000 0.194 1864 E C 0.418 177.087 176.600 0.116 0.000 1.045 1864 E CA 0.173 56.679 56.400 0.177 0.000 0.868 1864 E CB -0.298 29.473 29.700 0.119 0.000 0.885 1864 E HN 0.280 nan 8.360 nan 0.000 0.505 1865 L N 0.707 121.976 121.223 0.075 0.000 2.312 1865 L HA 0.375 4.764 4.340 0.082 0.000 0.281 1865 L C -0.447 176.367 176.870 -0.094 0.000 1.070 1865 L CA -0.819 53.994 54.840 -0.045 0.000 0.805 1865 L CB 1.284 43.303 42.059 -0.068 0.000 1.174 1865 L HN -0.206 nan 8.230 nan 0.000 0.434 1866 V N 3.527 123.211 119.914 -0.382 0.000 2.588 1866 V HA 0.449 4.618 4.120 0.082 0.000 0.304 1866 V C -0.162 175.558 176.094 -0.623 0.000 1.042 1866 V CA -0.686 61.316 62.300 -0.497 0.000 0.877 1866 V CB 2.046 33.445 31.823 -0.708 0.000 0.996 1866 V HN 0.692 nan 8.190 nan 0.000 0.425 1867 R N 3.960 124.291 120.500 -0.282 0.000 2.346 1867 R HA 0.716 5.105 4.340 0.082 0.000 0.311 1867 R C -1.270 174.943 176.300 -0.145 0.000 0.983 1867 R CA -0.507 55.483 56.100 -0.183 0.000 0.880 1867 R CB 1.544 31.820 30.300 -0.041 0.000 1.100 1867 R HN 0.778 nan 8.270 nan 0.000 0.453 1868 I N 1.752 122.205 120.570 -0.194 0.000 2.569 1868 I HA 0.269 4.488 4.170 0.082 0.000 0.296 1868 I C -1.023 174.956 176.117 -0.231 0.000 1.028 1868 I CA -0.368 60.829 61.300 -0.172 0.000 1.082 1868 I CB 2.243 40.172 38.000 -0.118 0.000 1.264 1868 I HN 0.542 nan 8.210 nan 0.000 0.429 1869 S N 6.410 122.039 115.700 -0.118 0.000 2.622 1869 S HA 0.448 4.967 4.470 0.082 0.000 0.283 1869 S C -0.834 173.776 174.600 0.017 0.000 1.197 1869 S CA -0.565 57.586 58.200 -0.082 0.000 1.146 1869 S CB 0.459 63.577 63.200 -0.136 0.000 1.007 1869 S HN 0.386 nan 8.310 nan 0.000 0.478 1870 V N 5.309 125.294 119.914 0.118 0.000 2.508 1870 V HA 0.444 4.613 4.120 0.082 0.000 0.281 1870 V C 1.498 177.761 176.094 0.282 0.000 1.041 1870 V CA 0.081 62.493 62.300 0.188 0.000 1.016 1870 V CB 0.628 32.612 31.823 0.268 0.000 0.984 1870 V HN 0.866 nan 8.190 nan 0.000 0.478 1871 G N 3.654 112.563 108.800 0.182 0.000 2.494 1871 G HA2 0.428 4.437 3.960 0.082 0.000 0.270 1871 G HA3 0.428 4.437 3.960 0.082 0.000 0.270 1871 G C 0.616 175.500 174.900 -0.026 0.000 1.423 1871 G CA -0.258 44.939 45.100 0.161 0.000 1.055 1871 G HN 0.939 nan 8.290 nan 0.000 0.536 1872 I N -2.124 118.350 120.570 -0.161 0.000 3.904 1872 I HA 0.387 4.606 4.170 0.082 0.000 0.333 1872 I C -0.170 175.895 176.117 -0.086 0.000 1.361 1872 I CA -0.343 60.840 61.300 -0.194 0.000 1.116 1872 I CB -0.052 37.783 38.000 -0.274 0.000 1.028 1872 I HN 0.107 nan 8.210 nan 0.000 0.398 1873 E N 2.332 122.503 120.200 -0.048 0.000 2.458 1873 E HA -0.053 4.346 4.350 0.082 0.000 0.264 1873 E C 0.041 176.625 176.600 -0.027 0.000 1.097 1873 E CA 0.083 56.465 56.400 -0.030 0.000 0.973 1873 E CB 0.161 29.851 29.700 -0.017 0.000 0.963 1873 E HN 0.400 nan 8.360 nan 0.000 0.451 1874 N N 0.616 119.301 118.700 -0.025 0.000 2.359 1874 N HA -0.110 4.679 4.740 0.082 0.000 0.261 1874 N C 0.862 176.356 175.510 -0.028 0.000 1.267 1874 N CA 0.129 53.165 53.050 -0.025 0.000 0.864 1874 N CB 0.625 39.098 38.487 -0.024 0.000 1.063 1874 N HN 0.389 nan 8.380 nan 0.000 0.474 1875 V N 0.885 120.783 119.914 -0.026 0.000 2.392 1875 V HA -0.225 3.944 4.120 0.082 0.000 0.249 1875 V C 1.346 177.401 176.094 -0.065 0.000 1.059 1875 V CA 1.768 64.049 62.300 -0.031 0.000 1.051 1875 V CB -0.514 31.296 31.823 -0.022 0.000 0.658 1875 V HN 0.651 nan 8.190 nan 0.000 0.455 1876 D N 0.455 120.815 120.400 -0.066 0.000 2.178 1876 D HA -0.125 4.564 4.640 0.082 0.000 0.202 1876 D C 1.896 178.137 176.300 -0.098 0.000 0.974 1876 D CA 1.553 55.499 54.000 -0.091 0.000 0.841 1876 D CB -0.264 40.497 40.800 -0.065 0.000 0.953 1876 D HN 0.480 nan 8.370 nan 0.000 0.478 1877 D N 0.599 120.958 120.400 -0.068 0.000 2.144 1877 D HA -0.058 4.631 4.640 0.082 0.000 0.200 1877 D C 2.317 178.576 176.300 -0.067 0.000 0.978 1877 D CA 0.354 54.319 54.000 -0.058 0.000 0.833 1877 D CB -0.167 40.611 40.800 -0.038 0.000 0.961 1877 D HN 0.290 nan 8.370 nan 0.000 0.470 1878 I N 0.509 121.039 120.570 -0.066 0.000 2.179 1878 I HA -0.212 4.007 4.170 0.082 0.000 0.242 1878 I C 2.362 178.403 176.117 -0.128 0.000 1.088 1878 I CA 0.768 62.030 61.300 -0.063 0.000 1.357 1878 I CB -0.177 37.806 38.000 -0.029 0.000 1.051 1878 I HN -0.061 nan 8.210 nan 0.000 0.409 1879 I N 0.935 121.376 120.570 -0.215 0.000 2.202 1879 I HA -0.262 3.957 4.170 0.082 0.000 0.242 1879 I C 2.797 178.661 176.117 -0.423 0.000 1.091 1879 I CA 1.360 62.379 61.300 -0.469 0.000 1.368 1879 I CB -0.446 37.188 38.000 -0.611 0.000 1.058 1879 I HN 0.168 nan 8.210 nan 0.000 0.410 1880 A N 0.115 122.787 122.820 -0.247 0.000 1.972 1880 A HA -0.291 4.078 4.320 0.082 0.000 0.219 1880 A C 1.953 179.486 177.584 -0.086 0.000 1.169 1880 A CA 2.256 54.206 52.037 -0.146 0.000 0.635 1880 A CB -0.627 18.319 19.000 -0.091 0.000 0.810 1880 A HN 0.451 nan 8.150 nan 0.000 0.446 1881 D N -0.137 120.217 120.400 -0.077 0.000 2.097 1881 D HA -0.089 4.600 4.640 0.082 0.000 0.197 1881 D C 1.832 178.125 176.300 -0.012 0.000 0.984 1881 D CA 1.174 55.155 54.000 -0.031 0.000 0.826 1881 D CB -0.217 40.570 40.800 -0.022 0.000 0.973 1881 D HN 0.403 nan 8.370 nan 0.000 0.460 1882 L N 0.094 121.299 121.223 -0.030 0.000 2.046 1882 L HA -0.141 4.248 4.340 0.082 0.000 0.208 1882 L C 2.599 179.511 176.870 0.069 0.000 1.077 1882 L CA 1.145 56.000 54.840 0.025 0.000 0.747 1882 L CB -0.389 41.703 42.059 0.055 0.000 0.896 1882 L HN 0.018 nan 8.230 nan 0.000 0.432 1883 K N 0.192 120.627 120.400 0.059 0.000 1.991 1883 K HA -0.281 4.088 4.320 0.082 0.000 0.212 1883 K C 2.221 178.886 176.600 0.109 0.000 1.049 1883 K CA 2.098 58.484 56.287 0.165 0.000 0.932 1883 K CB -0.058 32.496 32.500 0.089 0.000 0.717 1883 K HN 0.359 nan 8.250 nan 0.000 0.441 1884 Q N -0.026 119.808 119.800 0.057 0.000 2.170 1884 Q HA -0.106 4.283 4.340 0.082 0.000 0.203 1884 Q C 1.711 177.742 176.000 0.052 0.000 0.976 1884 Q CA 1.820 57.653 55.803 0.051 0.000 0.858 1884 Q CB -0.470 28.290 28.738 0.036 0.000 0.907 1884 Q HN 0.296 nan 8.270 nan 0.000 0.433 1885 A N 0.829 123.679 122.820 0.050 0.000 1.897 1885 A HA 0.023 4.392 4.320 0.082 0.000 0.215 1885 A C 2.150 179.742 177.584 0.013 0.000 1.181 1885 A CA 1.177 53.242 52.037 0.047 0.000 0.620 1885 A CB -0.608 18.429 19.000 0.062 0.000 0.821 1885 A HN 0.381 nan 8.150 nan 0.000 0.443 1886 L N -0.875 120.355 121.223 0.012 0.000 2.109 1886 L HA -0.118 4.271 4.340 0.082 0.000 0.207 1886 L C 2.280 179.181 176.870 0.050 0.000 1.086 1886 L CA 1.400 56.231 54.840 -0.016 0.000 0.760 1886 L CB -0.359 41.596 42.059 -0.174 0.000 0.910 1886 L HN 0.423 nan 8.230 nan 0.000 0.437 1887 E N -0.601 119.651 120.200 0.087 0.000 2.447 1887 E HA 0.155 4.554 4.350 0.082 0.000 0.195 1887 E C 0.156 176.782 176.600 0.044 0.000 1.028 1887 E CA 0.050 56.507 56.400 0.096 0.000 0.876 1887 E CB 0.471 30.247 29.700 0.127 0.000 0.885 1887 E HN 0.345 nan 8.360 nan 0.000 0.500 1888 L N 0.000 121.236 121.223 0.021 0.000 2.949 1888 L HA 0.000 4.389 4.340 0.082 0.000 0.249 1888 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 1888 L CB 0.000 42.070 42.059 0.019 0.000 0.961 1888 L HN 0.000 nan 8.230 nan 0.000 0.502