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 1a9x_1_B DATA FIRST_RESID 1502 DATA SEQUENCE IKSALLVLED GTQFHGRAIG ATGSAVGEVV FNTSMTGYQE ILTDPSYSRQ DATA SEQUENCE IVTLTYPHIG NVGTNDADEE SSQVHAQGLV IRDLPLIASN FRNTEDLSSY DATA SEQUENCE LKRHNIVAIA DIDTRKLTRL LREKGAQNGC IIAGDNPDAA LALEKARAFP DATA SEQUENCE GLNGMDLAKE VTTAEAYSWT QGSWTLTGGL PQAKKEDELP FHVVAYDFGA DATA SEQUENCE KRNILRMLVD RGCRLTIVPA QTSAEDVLKM NPDGIFLSNG PGDPAPCDYA DATA SEQUENCE ITAIQKFLET DIPVFGIXLG HQLLALASGA KTVKMKFGHH GGNHPVKDVE DATA SEQUENCE KNVVMITAQN HGFAVDEATL PANLRVTHKS LFDGTLQGIH RTDKPAFSFQ DATA SEQUENCE GNPEASPGPH DAAPLFDHFI ELIEQYRKT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1502 I HA 0.000 nan 4.170 nan 0.000 0.288 1502 I C 0.000 176.121 176.117 0.006 0.000 1.063 1502 I CA 0.000 61.302 61.300 0.004 0.000 1.566 1502 I CB 0.000 38.001 38.000 0.002 0.000 1.214 1503 K N 5.336 125.741 120.400 0.007 0.000 2.356 1503 K HA 0.506 4.826 4.320 0.000 0.000 0.243 1503 K C 0.062 176.670 176.600 0.013 0.000 1.072 1503 K CA -0.484 55.808 56.287 0.009 0.000 1.014 1503 K CB 1.135 33.639 32.500 0.006 0.000 1.523 1503 K HN 0.499 nan 8.250 nan 0.000 0.455 1504 S N 1.485 117.196 115.700 0.018 0.000 2.576 1504 S HA 0.459 4.929 4.470 0.000 0.000 0.272 1504 S C -0.004 174.613 174.600 0.029 0.000 1.352 1504 S CA -0.458 57.760 58.200 0.030 0.000 1.021 1504 S CB 0.937 64.161 63.200 0.040 0.000 0.887 1504 S HN 0.679 nan 8.310 nan 0.000 0.542 1505 A N 0.950 123.794 122.820 0.040 0.000 2.612 1505 A HA 0.755 5.075 4.320 0.000 0.000 0.293 1505 A C -1.617 175.988 177.584 0.034 0.000 1.075 1505 A CA -0.755 51.297 52.037 0.026 0.000 0.680 1505 A CB 1.222 20.226 19.000 0.006 0.000 1.279 1505 A HN 0.959 nan 8.150 nan 0.000 0.411 1506 L N 0.507 121.733 121.223 0.005 0.000 2.506 1506 L HA 0.927 5.267 4.340 0.000 0.000 0.257 1506 L C -2.061 174.783 176.870 -0.043 0.000 0.964 1506 L CA -0.530 54.286 54.840 -0.040 0.000 0.836 1506 L CB 1.977 44.008 42.059 -0.047 0.000 1.384 1506 L HN 1.119 nan 8.230 nan 0.000 0.410 1507 L N 4.330 125.530 121.223 -0.038 0.000 2.362 1507 L HA 0.942 5.282 4.340 0.000 0.000 0.275 1507 L C -1.533 175.372 176.870 0.058 0.000 0.998 1507 L CA -0.349 54.492 54.840 0.001 0.000 0.820 1507 L CB 2.140 44.184 42.059 -0.024 0.000 1.270 1507 L HN 0.534 nan 8.230 nan 0.000 0.415 1508 V N 5.403 125.338 119.914 0.035 0.000 2.789 1508 V HA 0.527 4.647 4.120 0.000 0.000 0.311 1508 V C -0.188 175.940 176.094 0.056 0.000 1.073 1508 V CA -0.643 61.686 62.300 0.048 0.000 0.921 1508 V CB 1.778 33.605 31.823 0.007 0.000 1.009 1508 V HN 0.703 nan 8.190 nan 0.000 0.426 1509 L N 1.789 123.062 121.223 0.084 0.000 2.344 1509 L HA 0.486 4.826 4.340 0.000 0.000 0.272 1509 L C 1.633 178.534 176.870 0.052 0.000 1.035 1509 L CA -0.430 54.451 54.840 0.070 0.000 0.807 1509 L CB 1.608 43.729 42.059 0.104 0.000 1.237 1509 L HN 0.846 nan 8.230 nan 0.000 0.442 1510 E N 1.156 121.387 120.200 0.051 0.000 2.169 1510 E HA -0.317 4.033 4.350 0.000 0.000 0.202 1510 E C 1.204 177.830 176.600 0.043 0.000 1.016 1510 E CA 2.233 58.665 56.400 0.054 0.000 0.817 1510 E CB 0.127 29.867 29.700 0.067 0.000 0.736 1510 E HN 0.835 nan 8.360 nan 0.000 0.462 1511 D N -1.455 118.971 120.400 0.043 0.000 2.371 1511 D HA -0.039 4.601 4.640 0.000 0.000 0.221 1511 D C 1.375 177.686 176.300 0.017 0.000 0.986 1511 D CA 1.151 55.170 54.000 0.031 0.000 0.899 1511 D CB 0.191 41.010 40.800 0.032 0.000 0.902 1511 D HN 0.413 nan 8.370 nan 0.000 0.530 1512 G N -0.882 107.928 108.800 0.016 0.000 2.218 1512 G HA2 -0.233 3.727 3.960 0.000 0.000 0.216 1512 G HA3 -0.233 3.727 3.960 0.000 0.000 0.216 1512 G C 0.422 175.304 174.900 -0.029 0.000 0.994 1512 G CA 0.148 45.246 45.100 -0.002 0.000 0.637 1512 G HN 0.456 nan 8.290 nan 0.000 0.505 1513 T N 2.211 116.747 114.554 -0.030 0.000 2.888 1513 T HA 0.470 4.820 4.350 0.000 0.000 0.301 1513 T C 0.258 174.862 174.700 -0.160 0.000 1.001 1513 T CA 0.585 62.611 62.100 -0.124 0.000 1.147 1513 T CB 1.023 69.836 68.868 -0.091 0.000 0.931 1513 T HN 0.491 nan 8.240 nan 0.000 0.541 1514 Q N 1.663 121.255 119.800 -0.347 0.000 2.342 1514 Q HA 0.600 4.940 4.340 0.000 0.000 0.267 1514 Q C -1.329 174.285 176.000 -0.643 0.000 1.038 1514 Q CA -0.656 54.934 55.803 -0.354 0.000 0.832 1514 Q CB 1.945 30.533 28.738 -0.250 0.000 1.323 1514 Q HN 0.554 nan 8.270 nan 0.000 0.448 1515 F N 1.182 120.924 119.950 -0.347 0.000 2.536 1515 F HA 0.328 4.855 4.527 0.000 0.000 0.322 1515 F C -0.238 175.332 175.800 -0.383 0.000 1.144 1515 F CA -0.745 57.105 58.000 -0.249 0.000 0.924 1515 F CB 1.421 40.335 39.000 -0.142 0.000 1.181 1515 F HN 0.422 nan 8.300 nan 0.000 0.438 1516 H N 2.131 121.259 119.070 0.096 0.000 2.476 1516 H HA 0.708 5.264 4.556 0.000 0.000 0.328 1516 H C 0.196 175.551 175.328 0.046 0.000 1.073 1516 H CA -0.388 55.691 56.048 0.052 0.000 1.229 1516 H CB 1.798 31.567 29.762 0.011 0.000 1.432 1516 H HN 0.874 nan 8.280 nan 0.000 0.477 1517 G N 2.003 110.873 108.800 0.118 0.000 3.100 1517 G HA2 0.338 4.298 3.960 0.000 0.000 0.174 1517 G HA3 0.338 4.298 3.960 0.000 0.000 0.174 1517 G C -0.948 173.979 174.900 0.045 0.000 1.136 1517 G CA -0.750 44.392 45.100 0.069 0.000 0.881 1517 G HN 0.499 nan 8.290 nan 0.000 0.616 1518 R N -0.249 120.261 120.500 0.018 0.000 2.621 1518 R HA 0.676 5.016 4.340 0.000 0.000 0.292 1518 R C -0.395 175.905 176.300 -0.001 0.000 0.969 1518 R CA -0.413 55.692 56.100 0.010 0.000 0.887 1518 R CB 1.785 32.087 30.300 0.003 0.000 1.180 1518 R HN 0.737 nan 8.270 nan 0.000 0.450 1519 A N 4.758 127.579 122.820 0.002 0.000 2.450 1519 A HA 0.267 4.587 4.320 0.000 0.000 0.255 1519 A C 0.841 178.422 177.584 -0.005 0.000 1.096 1519 A CA -0.318 51.717 52.037 -0.002 0.000 0.778 1519 A CB -0.315 18.687 19.000 0.003 0.000 1.031 1519 A HN 0.889 nan 8.150 nan 0.000 0.494 1520 I N -0.163 120.401 120.570 -0.009 0.000 4.338 1520 I HA 0.491 4.661 4.170 0.000 0.000 0.329 1520 I C 0.617 176.736 176.117 0.004 0.000 1.378 1520 I CA 0.183 61.480 61.300 -0.006 0.000 1.170 1520 I CB 0.328 38.317 38.000 -0.018 0.000 1.206 1520 I HN 0.557 nan 8.210 nan 0.000 0.432 1521 G N 1.179 109.981 108.800 0.003 0.000 3.264 1521 G HA2 0.748 4.708 3.960 0.000 0.000 0.168 1521 G HA3 0.748 4.708 3.960 0.000 0.000 0.168 1521 G C -0.509 174.395 174.900 0.007 0.000 1.145 1521 G CA -0.194 44.913 45.100 0.012 0.000 0.855 1521 G HN 0.301 nan 8.290 nan 0.000 0.629 1522 A N -0.697 122.126 122.820 0.005 0.000 2.448 1522 A HA 0.549 4.870 4.320 0.000 0.000 0.239 1522 A C 0.533 178.115 177.584 -0.002 0.000 1.080 1522 A CA 0.361 52.397 52.037 -0.001 0.000 0.779 1522 A CB -0.249 18.748 19.000 -0.004 0.000 1.026 1522 A HN 0.532 nan 8.150 nan 0.000 0.499 1523 T N 0.713 115.266 114.554 -0.002 0.000 2.856 1523 T HA 0.603 4.954 4.350 0.000 0.000 0.292 1523 T C 0.699 175.398 174.700 -0.002 0.000 0.980 1523 T CA 0.826 62.925 62.100 -0.001 0.000 1.091 1523 T CB 0.966 69.834 68.868 -0.000 0.000 0.936 1523 T HN 1.776 nan 8.240 nan 0.000 0.503 1524 G N 1.749 110.548 108.800 -0.001 0.000 2.334 1524 G HA2 0.385 4.345 3.960 0.000 0.000 0.249 1524 G HA3 0.385 4.345 3.960 0.000 0.000 0.249 1524 G C -0.855 174.043 174.900 -0.003 0.000 1.327 1524 G CA -0.114 44.985 45.100 -0.001 0.000 0.979 1524 G HN 1.110 nan 8.290 nan 0.000 0.471 1525 S N -0.930 114.768 115.700 -0.003 0.000 2.595 1525 S HA 0.997 5.467 4.470 0.000 0.000 0.281 1525 S C -0.521 174.071 174.600 -0.014 0.000 1.117 1525 S CA 0.691 58.886 58.200 -0.007 0.000 0.873 1525 S CB 1.769 64.969 63.200 -0.000 0.000 1.108 1525 S HN 2.547 nan 8.310 nan 0.000 0.477 1526 A N 1.472 124.276 122.820 -0.027 0.000 2.488 1526 A HA 0.758 5.078 4.320 0.000 0.000 0.298 1526 A C -1.478 176.061 177.584 -0.074 0.000 1.044 1526 A CA -0.626 51.385 52.037 -0.044 0.000 0.693 1526 A CB 1.652 20.623 19.000 -0.048 0.000 1.272 1526 A HN 1.197 nan 8.150 nan 0.000 0.402 1527 V N 1.221 121.072 119.914 -0.105 0.000 2.638 1527 V HA 0.937 5.057 4.120 0.000 0.000 0.306 1527 V C 0.537 176.365 176.094 -0.443 0.000 1.052 1527 V CA 0.485 62.662 62.300 -0.205 0.000 0.885 1527 V CB 1.642 33.412 31.823 -0.089 0.000 0.999 1527 V HN 1.911 nan 8.190 nan 0.000 0.424 1528 G N 3.233 111.610 108.800 -0.706 0.000 2.340 1528 G HA2 0.455 4.415 3.960 0.000 0.000 0.299 1528 G HA3 0.455 4.415 3.960 0.000 0.000 0.299 1528 G C -1.414 173.062 174.900 -0.708 0.000 1.291 1528 G CA -0.476 44.010 45.100 -1.023 0.000 0.841 1528 G HN 0.816 nan 8.290 nan 0.000 0.500 1529 E N -0.274 119.701 120.200 -0.375 0.000 2.259 1529 E HA 0.511 4.862 4.350 0.000 0.000 0.281 1529 E C -0.596 175.946 176.600 -0.097 0.000 1.027 1529 E CA -0.623 55.714 56.400 -0.105 0.000 0.838 1529 E CB 1.548 31.295 29.700 0.078 0.000 1.066 1529 E HN 0.264 nan 8.360 nan 0.000 0.401 1530 V N 5.657 125.526 119.914 -0.075 0.000 2.432 1530 V HA 0.283 4.403 4.120 0.000 0.000 0.275 1530 V C 0.225 176.283 176.094 -0.060 0.000 1.043 1530 V CA -0.359 61.894 62.300 -0.079 0.000 0.925 1530 V CB 0.731 32.508 31.823 -0.076 0.000 0.985 1530 V HN 0.609 nan 8.190 nan 0.000 0.466 1531 V N 3.252 123.102 119.914 -0.106 0.000 3.001 1531 V HA 0.823 4.943 4.120 0.000 0.000 0.314 1531 V C -0.815 175.197 176.094 -0.137 0.000 1.099 1531 V CA -1.055 61.127 62.300 -0.196 0.000 0.989 1531 V CB 2.047 33.578 31.823 -0.487 0.000 1.040 1531 V HN 0.701 nan 8.190 nan 0.000 0.434 1532 F N 1.156 121.006 119.950 -0.166 0.000 2.480 1532 F HA 0.802 5.329 4.527 0.000 0.000 0.329 1532 F C -0.585 175.218 175.800 0.006 0.000 1.091 1532 F CA -0.866 57.078 58.000 -0.092 0.000 0.972 1532 F CB 1.636 40.588 39.000 -0.081 0.000 1.150 1532 F HN 0.678 nan 8.300 nan 0.000 0.467 1533 N N 1.552 120.359 118.700 0.177 0.000 2.346 1533 N HA 0.192 4.932 4.740 0.000 0.000 0.289 1533 N C 0.141 175.810 175.510 0.264 0.000 1.027 1533 N CA -0.141 53.027 53.050 0.196 0.000 0.864 1533 N CB 2.176 40.743 38.487 0.133 0.000 1.370 1533 N HN 0.916 nan 8.380 nan 0.000 0.481 1534 T N -0.906 113.826 114.554 0.296 0.000 3.129 1534 T HA 0.125 4.475 4.350 0.000 0.000 0.251 1534 T C 0.189 175.012 174.700 0.205 0.000 1.117 1534 T CA -0.181 62.079 62.100 0.266 0.000 1.034 1534 T CB -0.343 68.697 68.868 0.288 0.000 0.968 1534 T HN 0.303 nan 8.240 nan 0.000 0.526 1535 S N 2.093 117.908 115.700 0.191 0.000 2.546 1535 S HA 0.219 4.689 4.470 0.000 0.000 0.290 1535 S C 1.049 175.737 174.600 0.147 0.000 1.262 1535 S CA -0.266 58.026 58.200 0.153 0.000 1.083 1535 S CB 0.398 63.685 63.200 0.145 0.000 0.859 1535 S HN 0.421 nan 8.310 nan 0.000 0.495 1536 M N 1.985 121.626 119.600 0.068 0.000 2.506 1536 M HA -0.001 4.479 4.480 0.000 0.000 0.260 1536 M C 0.903 177.209 176.300 0.011 0.000 1.104 1536 M CA 0.498 55.771 55.300 -0.045 0.000 1.112 1536 M CB -0.184 32.251 32.600 -0.276 0.000 1.401 1536 M HN 0.794 nan 8.290 nan 0.000 0.473 1537 T N -4.182 110.405 114.554 0.056 0.000 2.865 1537 T HA 0.667 5.017 4.350 0.000 0.000 0.294 1537 T C 0.598 175.319 174.700 0.036 0.000 1.119 1537 T CA -0.131 62.005 62.100 0.059 0.000 1.007 1537 T CB 1.943 70.809 68.868 -0.004 0.000 1.225 1537 T HN 0.273 nan 8.240 nan 0.000 0.515 1538 G N 0.509 109.256 108.800 -0.088 0.000 2.132 1538 G HA2 -0.314 3.647 3.960 0.000 0.000 0.228 1538 G HA3 -0.314 3.647 3.960 0.000 0.000 0.228 1538 G C 0.454 175.281 174.900 -0.121 0.000 1.000 1538 G CA 0.787 45.795 45.100 -0.153 0.000 0.693 1538 G HN 1.371 nan 8.290 nan 0.000 0.515 1539 Y N -1.531 118.765 120.300 -0.007 0.000 2.151 1539 Y HA -0.151 4.399 4.550 0.000 0.000 0.284 1539 Y C 2.529 178.400 175.900 -0.049 0.000 1.166 1539 Y CA 1.974 60.060 58.100 -0.023 0.000 1.163 1539 Y CB -0.681 37.767 38.460 -0.020 0.000 0.974 1539 Y HN 0.430 nan 8.280 nan 0.000 0.511 1540 Q N 0.660 120.260 119.800 -0.332 0.000 2.061 1540 Q HA -0.251 4.089 4.340 0.000 0.000 0.204 1540 Q C 1.836 177.778 176.000 -0.097 0.000 0.984 1540 Q CA 2.292 57.962 55.803 -0.222 0.000 0.846 1540 Q CB -0.043 28.437 28.738 -0.430 0.000 0.902 1540 Q HN 0.660 nan 8.270 nan 0.000 0.421 1541 E N 0.345 120.476 120.200 -0.115 0.000 2.110 1541 E HA -0.150 4.200 4.350 0.000 0.000 0.193 1541 E C 1.858 178.505 176.600 0.077 0.000 0.988 1541 E CA 1.195 57.583 56.400 -0.021 0.000 0.804 1541 E CB -0.085 29.594 29.700 -0.034 0.000 0.745 1541 E HN 0.418 nan 8.360 nan 0.000 0.458 1542 I N 0.392 121.012 120.570 0.084 0.000 2.163 1542 I HA -0.276 3.894 4.170 0.000 0.000 0.240 1542 I C 2.154 178.351 176.117 0.134 0.000 1.081 1542 I CA 0.945 62.343 61.300 0.162 0.000 1.353 1542 I CB -0.301 37.724 38.000 0.041 0.000 1.054 1542 I HN 0.108 nan 8.210 nan 0.000 0.407 1543 L N 0.448 121.700 121.223 0.049 0.000 2.051 1543 L HA -0.252 4.088 4.340 0.000 0.000 0.214 1543 L C 2.345 179.313 176.870 0.164 0.000 1.076 1543 L CA 2.189 57.070 54.840 0.068 0.000 0.758 1543 L CB -1.055 41.060 42.059 0.094 0.000 0.890 1543 L HN 0.462 nan 8.230 nan 0.000 0.433 1544 T N -4.236 110.421 114.554 0.171 0.000 3.235 1544 T HA 0.031 4.381 4.350 0.000 0.000 0.251 1544 T C 0.229 175.073 174.700 0.239 0.000 1.060 1544 T CA -0.402 61.829 62.100 0.219 0.000 0.949 1544 T CB -0.375 68.590 68.868 0.161 0.000 1.020 1544 T HN 0.088 nan 8.240 nan 0.000 0.564 1545 D N 1.904 122.455 120.400 0.253 0.000 2.280 1545 D HA 0.283 4.923 4.640 0.000 0.000 0.243 1545 D C -1.705 174.619 176.300 0.041 0.000 1.129 1545 D CA -2.746 51.344 54.000 0.149 0.000 0.848 1545 D CB 1.904 42.824 40.800 0.200 0.000 1.107 1545 D HN -0.074 nan 8.370 nan 0.000 0.471 1546 P HA -0.126 nan 4.420 nan 0.000 0.217 1546 P C 1.158 178.357 177.300 -0.169 0.000 1.148 1546 P CA 0.937 63.704 63.100 -0.555 0.000 0.828 1546 P CB 0.183 31.538 31.700 -0.574 0.000 0.783 1547 S N -1.798 113.813 115.700 -0.149 0.000 2.440 1547 S HA -0.190 4.280 4.470 0.000 0.000 0.240 1547 S C 1.246 175.737 174.600 -0.182 0.000 1.014 1547 S CA 1.170 59.263 58.200 -0.179 0.000 0.980 1547 S CB -1.175 61.868 63.200 -0.261 0.000 0.775 1547 S HN 0.270 nan 8.310 nan 0.000 0.499 1548 Y N 1.733 122.079 120.300 0.077 0.000 2.529 1548 Y HA 0.291 4.841 4.550 0.000 0.000 0.290 1548 Y C 1.366 177.336 175.900 0.118 0.000 1.177 1548 Y CA -0.653 57.503 58.100 0.094 0.000 1.305 1548 Y CB -0.540 37.969 38.460 0.082 0.000 1.047 1548 Y HN 0.050 nan 8.280 nan 0.000 0.522 1549 S N 1.594 117.438 115.700 0.239 0.000 2.563 1549 S HA -0.028 4.442 4.470 0.000 0.000 0.294 1549 S C 0.812 175.530 174.600 0.196 0.000 1.279 1549 S CA -0.118 58.224 58.200 0.238 0.000 1.069 1549 S CB 0.022 63.359 63.200 0.229 0.000 0.828 1549 S HN 0.529 nan 8.310 nan 0.000 0.497 1550 R N 1.240 121.840 120.500 0.166 0.000 3.770 1550 R HA -0.164 4.176 4.340 0.000 0.000 0.305 1550 R C -0.608 175.723 176.300 0.052 0.000 1.184 1550 R CA 1.006 57.185 56.100 0.131 0.000 0.823 1550 R CB -2.418 28.041 30.300 0.264 0.000 1.285 1550 R HN 0.784 nan 8.270 nan 0.000 0.499 1551 Q N 0.120 119.964 119.800 0.073 0.000 2.365 1551 Q HA 0.597 4.937 4.340 0.000 0.000 0.269 1551 Q C -0.151 175.837 176.000 -0.020 0.000 1.061 1551 Q CA -0.867 54.956 55.803 0.035 0.000 0.816 1551 Q CB 2.223 31.043 28.738 0.137 0.000 1.325 1551 Q HN 0.119 nan 8.270 nan 0.000 0.446 1552 I N 2.461 122.980 120.570 -0.085 0.000 2.297 1552 I HA 0.186 4.357 4.170 0.000 0.000 0.291 1552 I C -0.568 175.474 176.117 -0.125 0.000 1.033 1552 I CA -0.719 60.516 61.300 -0.108 0.000 1.253 1552 I CB 1.188 39.111 38.000 -0.129 0.000 1.396 1552 I HN 0.279 nan 8.210 nan 0.000 0.476 1553 V N 5.689 125.509 119.914 -0.157 0.000 2.385 1553 V HA 0.225 4.345 4.120 0.000 0.000 0.269 1553 V C 0.380 176.377 176.094 -0.162 0.000 1.043 1553 V CA -0.378 61.793 62.300 -0.215 0.000 0.906 1553 V CB 0.933 32.531 31.823 -0.374 0.000 0.995 1553 V HN 0.666 nan 8.190 nan 0.000 0.467 1554 T N 7.106 121.583 114.554 -0.130 0.000 2.767 1554 T HA 0.601 4.951 4.350 0.000 0.000 0.284 1554 T C -0.225 174.453 174.700 -0.037 0.000 0.973 1554 T CA -0.266 61.777 62.100 -0.096 0.000 0.996 1554 T CB 0.709 69.525 68.868 -0.087 0.000 0.927 1554 T HN 0.372 nan 8.240 nan 0.000 0.456 1555 L N 3.424 124.618 121.223 -0.048 0.000 2.296 1555 L HA 0.334 4.674 4.340 0.000 0.000 0.286 1555 L C 1.946 178.816 176.870 -0.000 0.000 1.023 1555 L CA -0.745 54.100 54.840 0.008 0.000 0.812 1555 L CB 1.516 43.580 42.059 0.007 0.000 1.223 1555 L HN 0.816 nan 8.230 nan 0.000 0.421 1556 T N -0.516 114.076 114.554 0.064 0.000 2.904 1556 T HA -0.156 4.194 4.350 0.000 0.000 0.267 1556 T C 0.662 175.384 174.700 0.037 0.000 1.059 1556 T CA 0.532 62.647 62.100 0.024 0.000 1.137 1556 T CB -0.214 68.694 68.868 0.067 0.000 0.879 1556 T HN 0.318 nan 8.240 nan 0.000 0.467 1557 Y N 5.156 125.456 120.300 -0.000 0.000 2.569 1557 Y HA 0.259 4.809 4.550 0.000 0.000 0.332 1557 Y C -1.577 174.288 175.900 -0.058 0.000 1.120 1557 Y CA -3.290 54.807 58.100 -0.005 0.000 1.416 1557 Y CB 0.819 39.304 38.460 0.041 0.000 1.210 1557 Y HN -0.004 nan 8.280 nan 0.000 0.528 1558 P HA -0.201 nan 4.420 nan 0.000 0.215 1558 P C -0.219 176.560 177.300 -0.867 0.000 1.157 1558 P CA 1.665 64.283 63.100 -0.804 0.000 0.874 1558 P CB 0.073 31.366 31.700 -0.678 0.000 0.790 1559 H N 0.166 118.726 119.070 -0.849 0.000 2.761 1559 H HA 0.220 4.776 4.556 0.000 0.000 0.284 1559 H C 0.149 175.337 175.328 -0.233 0.000 1.105 1559 H CA -0.337 55.485 56.048 -0.375 0.000 1.352 1559 H CB 0.234 29.895 29.762 -0.167 0.000 1.423 1559 H HN 0.043 nan 8.280 nan 0.000 0.464 1560 I N 1.807 122.273 120.570 -0.173 0.000 2.362 1560 I HA 0.217 4.387 4.170 0.000 0.000 0.289 1560 I C 1.292 177.094 176.117 -0.526 0.000 0.994 1560 I CA -0.043 61.047 61.300 -0.350 0.000 1.158 1560 I CB 1.203 39.000 38.000 -0.338 0.000 1.315 1560 I HN 0.912 nan 8.210 nan 0.000 0.451 1561 G N 5.402 113.688 108.800 -0.856 0.000 2.227 1561 G HA2 -0.238 3.722 3.960 0.000 0.000 0.168 1561 G HA3 -0.238 3.722 3.960 0.000 0.000 0.168 1561 G C 0.834 175.717 174.900 -0.028 0.000 1.006 1561 G CA -0.227 44.576 45.100 -0.495 0.000 0.684 1561 G HN 0.460 nan 8.290 nan 0.000 0.489 1562 N N 0.557 119.292 118.700 0.057 0.000 2.184 1562 N HA -0.133 4.608 4.740 0.000 0.000 0.190 1562 N C 2.220 177.805 175.510 0.125 0.000 1.011 1562 N CA 2.208 55.320 53.050 0.103 0.000 0.867 1562 N CB -0.280 38.283 38.487 0.127 0.000 0.993 1562 N HN 1.152 nan 8.380 nan 0.000 0.433 1563 V N -4.086 115.956 119.914 0.213 0.000 3.376 1563 V HA 0.567 4.687 4.120 0.000 0.000 0.313 1563 V C 1.170 177.313 176.094 0.082 0.000 1.393 1563 V CA 0.069 62.435 62.300 0.112 0.000 1.125 1563 V CB -0.298 31.551 31.823 0.044 0.000 1.037 1563 V HN 0.331 nan 8.190 nan 0.000 0.440 1564 G N 1.606 110.495 108.800 0.149 0.000 2.550 1564 G HA2 -0.125 3.835 3.960 0.000 0.000 0.277 1564 G HA3 -0.125 3.835 3.960 0.000 0.000 0.277 1564 G C 0.164 175.078 174.900 0.024 0.000 1.190 1564 G CA 0.940 46.089 45.100 0.081 0.000 0.971 1564 G HN 1.926 nan 8.290 nan 0.000 0.559 1565 T N -2.155 112.342 114.554 -0.094 0.000 2.821 1565 T HA 0.702 5.052 4.350 0.000 0.000 0.306 1565 T C -0.771 173.820 174.700 -0.181 0.000 1.313 1565 T CA 0.226 62.175 62.100 -0.252 0.000 1.012 1565 T CB 2.081 70.615 68.868 -0.557 0.000 1.298 1565 T HN 2.373 nan 8.240 nan 0.000 0.502 1566 N N -0.902 117.677 118.700 -0.202 0.000 2.710 1566 N HA 0.395 5.135 4.740 0.000 0.000 0.257 1566 N C -0.383 175.084 175.510 -0.072 0.000 1.327 1566 N CA -0.832 52.152 53.050 -0.111 0.000 0.861 1566 N CB 0.943 39.350 38.487 -0.134 0.000 1.532 1566 N HN 0.353 nan 8.380 nan 0.000 0.499 1567 D N 0.355 120.757 120.400 0.004 0.000 2.144 1567 D HA -0.097 4.543 4.640 0.000 0.000 0.199 1567 D C 1.793 178.104 176.300 0.018 0.000 0.984 1567 D CA 1.805 55.835 54.000 0.049 0.000 0.834 1567 D CB -0.464 40.381 40.800 0.076 0.000 0.955 1567 D HN 0.693 nan 8.370 nan 0.000 0.465 1568 A N 0.961 123.767 122.820 -0.023 0.000 1.972 1568 A HA -0.160 4.160 4.320 0.000 0.000 0.219 1568 A C 1.405 178.900 177.584 -0.150 0.000 1.169 1568 A CA 1.321 53.321 52.037 -0.062 0.000 0.635 1568 A CB -0.213 18.734 19.000 -0.088 0.000 0.810 1568 A HN 0.005 nan 8.150 nan 0.000 0.446 1569 D N 0.502 120.788 120.400 -0.189 0.000 2.338 1569 D HA 0.076 4.716 4.640 0.000 0.000 0.239 1569 D C 0.001 176.231 176.300 -0.116 0.000 1.095 1569 D CA 0.272 54.144 54.000 -0.213 0.000 0.888 1569 D CB -0.074 40.548 40.800 -0.297 0.000 0.899 1569 D HN 0.590 nan 8.370 nan 0.000 0.525 1570 E N 0.751 120.933 120.200 -0.031 0.000 2.200 1570 E HA 0.076 4.427 4.350 0.000 0.000 0.283 1570 E C 0.813 177.449 176.600 0.061 0.000 1.015 1570 E CA -0.232 56.193 56.400 0.041 0.000 0.819 1570 E CB 1.184 30.949 29.700 0.109 0.000 1.081 1570 E HN -0.048 nan 8.360 nan 0.000 0.397 1571 E N 1.039 121.281 120.200 0.070 0.000 2.435 1571 E HA -0.006 4.344 4.350 0.000 0.000 0.195 1571 E C 0.295 176.948 176.600 0.088 0.000 1.029 1571 E CA 0.354 56.795 56.400 0.070 0.000 0.865 1571 E CB 0.397 30.132 29.700 0.058 0.000 0.833 1571 E HN 0.485 nan 8.360 nan 0.000 0.510 1572 S N -1.589 114.190 115.700 0.133 0.000 2.727 1572 S HA 0.182 4.652 4.470 0.000 0.000 0.278 1572 S C 0.732 175.445 174.600 0.189 0.000 1.186 1572 S CA -0.082 58.215 58.200 0.161 0.000 0.836 1572 S CB 1.045 64.346 63.200 0.167 0.000 1.186 1572 S HN -0.064 nan 8.310 nan 0.000 0.499 1573 S N -0.226 115.592 115.700 0.196 0.000 2.555 1573 S HA 0.157 4.627 4.470 0.000 0.000 0.230 1573 S C 0.542 175.246 174.600 0.174 0.000 0.978 1573 S CA 0.628 58.927 58.200 0.165 0.000 0.934 1573 S CB -0.961 62.313 63.200 0.123 0.000 0.766 1573 S HN 1.028 nan 8.310 nan 0.000 0.533 1574 Q N -1.199 118.719 119.800 0.196 0.000 2.630 1574 Q HA 0.613 4.953 4.340 0.000 0.000 0.295 1574 Q C -1.781 174.258 176.000 0.066 0.000 0.944 1574 Q CA -1.184 54.690 55.803 0.119 0.000 0.766 1574 Q CB 1.411 30.142 28.738 -0.011 0.000 1.471 1574 Q HN -0.043 nan 8.270 nan 0.000 0.416 1575 V N 2.666 122.554 119.914 -0.043 0.000 2.405 1575 V HA 0.074 4.194 4.120 0.000 0.000 0.264 1575 V C 0.697 176.740 176.094 -0.085 0.000 1.048 1575 V CA -0.033 62.244 62.300 -0.038 0.000 0.966 1575 V CB 0.258 31.996 31.823 -0.140 0.000 1.015 1575 V HN 0.766 nan 8.190 nan 0.000 0.477 1576 H N 3.212 122.338 119.070 0.094 0.000 2.497 1576 H HA 0.199 4.755 4.556 0.000 0.000 0.282 1576 H C 1.476 176.872 175.328 0.114 0.000 1.003 1576 H CA 0.709 56.825 56.048 0.113 0.000 1.307 1576 H CB 0.465 30.309 29.762 0.136 0.000 1.437 1576 H HN 0.694 nan 8.280 nan 0.000 0.544 1577 A N 1.641 124.578 122.820 0.195 0.000 2.565 1577 A HA -0.083 4.237 4.320 0.000 0.000 0.237 1577 A C 1.571 179.185 177.584 0.050 0.000 1.053 1577 A CA 0.039 52.141 52.037 0.108 0.000 0.755 1577 A CB 0.427 19.431 19.000 0.005 0.000 0.980 1577 A HN 0.298 nan 8.150 nan 0.000 0.506 1578 Q N 1.548 121.366 119.800 0.030 0.000 2.167 1578 Q HA 0.202 4.543 4.340 0.000 0.000 0.202 1578 Q C 0.714 176.697 176.000 -0.028 0.000 0.970 1578 Q CA 1.883 57.683 55.803 -0.005 0.000 0.855 1578 Q CB -0.058 28.656 28.738 -0.040 0.000 0.911 1578 Q HN 1.155 nan 8.270 nan 0.000 0.438 1579 G N -1.083 107.691 108.800 -0.043 0.000 2.576 1579 G HA2 0.474 4.434 3.960 0.000 0.000 0.290 1579 G HA3 0.474 4.434 3.960 0.000 0.000 0.290 1579 G C -2.363 172.495 174.900 -0.070 0.000 1.442 1579 G CA -0.522 44.546 45.100 -0.052 0.000 0.792 1579 G HN 0.139 nan 8.290 nan 0.000 0.491 1580 L N 0.426 121.607 121.223 -0.069 0.000 2.385 1580 L HA 0.816 5.156 4.340 0.000 0.000 0.273 1580 L C -0.963 175.848 176.870 -0.097 0.000 0.990 1580 L CA -0.826 53.963 54.840 -0.084 0.000 0.821 1580 L CB 2.199 44.222 42.059 -0.060 0.000 1.279 1580 L HN 0.416 nan 8.230 nan 0.000 0.412 1581 V N 6.618 126.460 119.914 -0.120 0.000 2.378 1581 V HA 0.573 4.693 4.120 0.000 0.000 0.288 1581 V C -0.002 176.007 176.094 -0.142 0.000 1.016 1581 V CA -0.422 61.793 62.300 -0.141 0.000 0.840 1581 V CB 1.158 32.871 31.823 -0.183 0.000 0.994 1581 V HN 0.768 nan 8.190 nan 0.000 0.431 1582 I N 1.977 122.464 120.570 -0.138 0.000 3.042 1582 I HA 0.727 4.897 4.170 0.000 0.000 0.310 1582 I C 0.666 176.690 176.117 -0.156 0.000 1.117 1582 I CA -1.057 60.153 61.300 -0.151 0.000 1.003 1582 I CB 2.600 40.506 38.000 -0.158 0.000 1.228 1582 I HN 0.437 nan 8.210 nan 0.000 0.443 1583 R N 1.414 121.800 120.500 -0.190 0.000 2.156 1583 R HA 0.270 4.610 4.340 0.000 0.000 0.207 1583 R C -0.232 175.955 176.300 -0.189 0.000 1.040 1583 R CA 1.186 57.173 56.100 -0.189 0.000 1.013 1583 R CB 0.147 30.310 30.300 -0.228 0.000 0.931 1583 R HN 0.863 nan 8.270 nan 0.000 0.465 1584 D N -0.194 120.071 120.400 -0.225 0.000 2.966 1584 D HA 0.117 4.757 4.640 0.000 0.000 0.222 1584 D C -1.723 174.519 176.300 -0.097 0.000 1.292 1584 D CA -0.641 53.261 54.000 -0.163 0.000 0.907 1584 D CB 1.468 42.132 40.800 -0.228 0.000 1.621 1584 D HN 0.062 nan 8.370 nan 0.000 0.557 1585 L N 5.649 126.840 121.223 -0.052 0.000 2.264 1585 L HA 0.499 4.839 4.340 0.000 0.000 0.289 1585 L C -2.263 174.611 176.870 0.006 0.000 1.044 1585 L CA -1.208 53.606 54.840 -0.044 0.000 0.807 1585 L CB 1.095 43.126 42.059 -0.046 0.000 1.192 1585 L HN 0.211 nan 8.230 nan 0.000 0.425 1586 P HA 0.029 nan 4.420 nan 0.000 0.274 1586 P C 0.714 178.014 177.300 -0.001 0.000 1.231 1586 P CA -0.535 62.574 63.100 0.014 0.000 0.790 1586 P CB 0.893 32.582 31.700 -0.018 0.000 0.951 1587 L N 1.369 122.591 121.223 -0.002 0.000 2.013 1587 L HA -0.090 4.250 4.340 0.000 0.000 0.212 1587 L C 1.465 178.337 176.870 0.002 0.000 1.073 1587 L CA 1.842 56.682 54.840 -0.000 0.000 0.753 1587 L CB -1.312 40.745 42.059 -0.003 0.000 0.890 1587 L HN 0.534 nan 8.230 nan 0.000 0.432 1588 I N -5.032 115.538 120.570 -0.001 0.000 3.074 1588 I HA 0.721 4.891 4.170 0.000 0.000 0.310 1588 I C -0.474 175.650 176.117 0.011 0.000 1.153 1588 I CA -1.176 60.129 61.300 0.008 0.000 0.993 1588 I CB 2.069 40.076 38.000 0.011 0.000 1.237 1588 I HN -0.175 nan 8.210 nan 0.000 0.443 1589 A N 2.081 124.914 122.820 0.022 0.000 2.306 1589 A HA 0.727 5.047 4.320 0.000 0.000 0.314 1589 A C -0.194 177.412 177.584 0.035 0.000 1.164 1589 A CA -0.486 51.571 52.037 0.034 0.000 0.822 1589 A CB 1.142 20.165 19.000 0.038 0.000 1.130 1589 A HN 0.706 nan 8.150 nan 0.000 0.496 1590 S N 2.299 118.026 115.700 0.044 0.000 2.383 1590 S HA 0.448 4.918 4.470 0.000 0.000 0.196 1590 S C -1.082 173.559 174.600 0.069 0.000 1.364 1590 S CA -0.679 57.551 58.200 0.051 0.000 1.212 1590 S CB -0.398 62.827 63.200 0.042 0.000 1.171 1590 S HN 0.837 nan 8.310 nan 0.000 0.456 1591 N N 2.476 121.217 118.700 0.067 0.000 2.516 1591 N HA 0.139 4.879 4.740 0.000 0.000 0.268 1591 N C 0.461 176.007 175.510 0.061 0.000 1.096 1591 N CA -0.544 52.558 53.050 0.086 0.000 0.954 1591 N CB 0.865 39.356 38.487 0.008 0.000 1.676 1591 N HN 0.371 nan 8.380 nan 0.000 0.490 1592 F N 3.093 123.065 119.950 0.037 0.000 2.307 1592 F HA 0.120 4.647 4.527 0.000 0.000 0.301 1592 F C 1.504 177.333 175.800 0.047 0.000 1.076 1592 F CA 0.911 58.936 58.000 0.042 0.000 1.383 1592 F CB -0.149 38.878 39.000 0.046 0.000 1.055 1592 F HN 0.393 nan 8.300 nan 0.000 0.526 1593 R N 0.567 120.550 120.500 -0.862 0.000 2.297 1593 R HA 0.029 4.369 4.340 0.000 0.000 0.197 1593 R C 0.225 176.363 176.300 -0.269 0.000 0.943 1593 R CA 0.155 55.882 56.100 -0.623 0.000 1.038 1593 R CB -0.629 29.244 30.300 -0.713 0.000 0.957 1593 R HN 0.298 nan 8.270 nan 0.000 0.484 1594 N N 1.218 119.810 118.700 -0.180 0.000 2.483 1594 N HA -0.064 4.676 4.740 0.000 0.000 0.264 1594 N C 0.742 176.227 175.510 -0.041 0.000 1.197 1594 N CA 0.581 53.578 53.050 -0.089 0.000 0.927 1594 N CB 1.051 39.516 38.487 -0.037 0.000 1.065 1594 N HN 0.034 nan 8.380 nan 0.000 0.461 1595 T N -0.055 114.484 114.554 -0.024 0.000 2.959 1595 T HA 0.238 4.589 4.350 0.000 0.000 0.254 1595 T C 0.127 174.853 174.700 0.044 0.000 1.003 1595 T CA -0.347 61.762 62.100 0.015 0.000 0.950 1595 T CB -0.051 68.831 68.868 0.024 0.000 1.090 1595 T HN 0.604 nan 8.240 nan 0.000 0.503 1596 E N 1.908 122.135 120.200 0.045 0.000 2.451 1596 E HA 0.180 4.530 4.350 0.000 0.000 0.295 1596 E C -1.613 175.033 176.600 0.076 0.000 0.966 1596 E CA -0.741 55.709 56.400 0.083 0.000 0.808 1596 E CB 1.513 31.306 29.700 0.155 0.000 1.242 1596 E HN 0.419 nan 8.360 nan 0.000 0.412 1597 D N 3.849 124.293 120.400 0.075 0.000 2.419 1597 D HA -0.080 4.560 4.640 0.000 0.000 0.236 1597 D C 1.057 177.418 176.300 0.101 0.000 1.165 1597 D CA -0.315 53.725 54.000 0.067 0.000 0.882 1597 D CB 1.327 42.158 40.800 0.051 0.000 1.201 1597 D HN 0.420 nan 8.370 nan 0.000 0.443 1598 L N 2.551 123.818 121.223 0.075 0.000 2.017 1598 L HA -0.194 4.146 4.340 0.000 0.000 0.208 1598 L C 2.601 179.547 176.870 0.125 0.000 1.073 1598 L CA 1.952 56.849 54.840 0.095 0.000 0.745 1598 L CB -1.038 41.021 42.059 -0.000 0.000 0.894 1598 L HN 0.644 nan 8.230 nan 0.000 0.432 1599 S N -1.296 114.446 115.700 0.071 0.000 2.359 1599 S HA -0.223 4.247 4.470 0.000 0.000 0.224 1599 S C 2.132 176.787 174.600 0.092 0.000 1.035 1599 S CA 1.740 59.978 58.200 0.064 0.000 1.018 1599 S CB -0.426 62.795 63.200 0.034 0.000 0.876 1599 S HN 0.661 nan 8.310 nan 0.000 0.448 1600 S N -0.176 115.585 115.700 0.101 0.000 2.370 1600 S HA -0.135 4.336 4.470 0.000 0.000 0.226 1600 S C 1.534 176.226 174.600 0.153 0.000 1.033 1600 S CA 1.557 59.819 58.200 0.104 0.000 1.011 1600 S CB -0.626 62.636 63.200 0.103 0.000 0.852 1600 S HN 0.734 nan 8.310 nan 0.000 0.457 1601 Y N 2.070 122.414 120.300 0.075 0.000 2.145 1601 Y HA -0.099 4.451 4.550 0.000 0.000 0.286 1601 Y C 1.916 177.914 175.900 0.164 0.000 1.145 1601 Y CA 1.337 59.513 58.100 0.128 0.000 1.148 1601 Y CB -0.334 38.185 38.460 0.098 0.000 0.981 1601 Y HN 0.140 nan 8.280 nan 0.000 0.507 1602 L N -0.050 121.293 121.223 0.200 0.000 2.017 1602 L HA -0.248 4.092 4.340 0.000 0.000 0.208 1602 L C 2.442 179.341 176.870 0.047 0.000 1.073 1602 L CA 1.740 56.641 54.840 0.102 0.000 0.745 1602 L CB -0.562 41.552 42.059 0.091 0.000 0.894 1602 L HN 0.127 nan 8.230 nan 0.000 0.432 1603 K N -0.027 120.399 120.400 0.043 0.000 2.032 1603 K HA -0.238 4.082 4.320 0.000 0.000 0.209 1603 K C 2.229 178.817 176.600 -0.021 0.000 1.048 1603 K CA 1.637 57.931 56.287 0.012 0.000 0.927 1603 K CB -0.237 32.272 32.500 0.016 0.000 0.712 1603 K HN 0.185 nan 8.250 nan 0.000 0.441 1604 R N 0.304 120.783 120.500 -0.036 0.000 2.127 1604 R HA -0.162 4.178 4.340 0.000 0.000 0.238 1604 R C 1.253 177.397 176.300 -0.260 0.000 1.134 1604 R CA 1.562 57.585 56.100 -0.129 0.000 0.975 1604 R CB -0.123 30.102 30.300 -0.126 0.000 0.865 1604 R HN 0.403 nan 8.270 nan 0.000 0.447 1605 H N -0.070 118.869 119.070 -0.218 0.000 2.529 1605 H HA 0.145 4.701 4.556 0.000 0.000 0.277 1605 H C -0.098 175.153 175.328 -0.128 0.000 1.004 1605 H CA -0.003 55.917 56.048 -0.213 0.000 1.167 1605 H CB 0.273 29.853 29.762 -0.304 0.000 1.445 1605 H HN 0.344 nan 8.280 nan 0.000 0.554 1606 N N 1.117 119.807 118.700 -0.016 0.000 2.783 1606 N HA -0.152 4.588 4.740 0.000 0.000 0.247 1606 N C -0.820 174.691 175.510 0.002 0.000 1.089 1606 N CA 0.202 53.243 53.050 -0.015 0.000 0.690 1606 N CB -0.817 37.651 38.487 -0.032 0.000 0.991 1606 N HN 0.224 nan 8.380 nan 0.000 0.552 1607 I N 0.991 121.570 120.570 0.014 0.000 2.359 1607 I HA 0.291 4.461 4.170 0.000 0.000 0.294 1607 I C 1.036 177.154 176.117 0.002 0.000 0.987 1607 I CA -0.628 60.678 61.300 0.009 0.000 1.225 1607 I CB 1.567 39.578 38.000 0.018 0.000 1.366 1607 I HN -0.256 nan 8.210 nan 0.000 0.466 1608 V N 5.631 125.540 119.914 -0.008 0.000 2.455 1608 V HA 0.593 4.713 4.120 0.000 0.000 0.273 1608 V C 0.505 176.586 176.094 -0.022 0.000 1.045 1608 V CA -0.172 62.119 62.300 -0.014 0.000 0.976 1608 V CB 0.944 32.756 31.823 -0.019 0.000 0.993 1608 V HN 0.935 nan 8.190 nan 0.000 0.475 1609 A N 6.230 129.037 122.820 -0.021 0.000 2.486 1609 A HA 0.856 5.176 4.320 0.000 0.000 0.300 1609 A C -1.091 176.472 177.584 -0.035 0.000 1.048 1609 A CA -0.505 51.512 52.037 -0.033 0.000 0.696 1609 A CB 1.521 20.507 19.000 -0.024 0.000 1.278 1609 A HN 0.794 nan 8.150 nan 0.000 0.405 1610 I N 1.156 121.695 120.570 -0.051 0.000 2.646 1610 I HA 0.823 4.993 4.170 0.000 0.000 0.299 1610 I C -0.013 176.067 176.117 -0.061 0.000 1.036 1610 I CA -0.617 60.655 61.300 -0.047 0.000 1.074 1610 I CB 1.952 39.923 38.000 -0.048 0.000 1.258 1610 I HN 0.939 nan 8.210 nan 0.000 0.430 1611 A N 3.686 126.476 122.820 -0.050 0.000 2.486 1611 A HA 0.660 4.980 4.320 0.000 0.000 0.289 1611 A C -0.674 176.883 177.584 -0.045 0.000 1.176 1611 A CA -0.212 51.787 52.037 -0.063 0.000 0.757 1611 A CB 0.964 19.928 19.000 -0.060 0.000 1.337 1611 A HN 0.830 nan 8.150 nan 0.000 0.423 1612 D N -1.681 118.685 120.400 -0.055 0.000 2.981 1612 D HA -0.170 4.470 4.640 0.000 0.000 0.223 1612 D C -0.093 176.199 176.300 -0.014 0.000 1.151 1612 D CA 1.702 55.681 54.000 -0.036 0.000 0.827 1612 D CB -2.274 38.517 40.800 -0.015 0.000 1.101 1612 D HN 0.908 nan 8.370 nan 0.000 0.426 1613 I N -3.258 117.294 120.570 -0.030 0.000 2.863 1613 I HA 0.557 4.728 4.170 0.000 0.000 0.311 1613 I C 0.186 176.299 176.117 -0.006 0.000 1.026 1613 I CA -0.952 60.361 61.300 0.020 0.000 1.077 1613 I CB 1.301 39.328 38.000 0.046 0.000 1.262 1613 I HN -0.290 nan 8.210 nan 0.000 0.461 1614 D N 2.431 122.876 120.400 0.075 0.000 2.470 1614 D HA 0.080 4.720 4.640 0.000 0.000 0.226 1614 D C 1.256 177.538 176.300 -0.030 0.000 1.196 1614 D CA 0.270 54.290 54.000 0.033 0.000 0.979 1614 D CB 0.505 41.353 40.800 0.079 0.000 1.059 1614 D HN 0.791 nan 8.370 nan 0.000 0.515 1615 T N 0.902 115.385 114.554 -0.118 0.000 2.929 1615 T HA -0.192 4.158 4.350 0.000 0.000 0.271 1615 T C 1.825 176.421 174.700 -0.175 0.000 1.085 1615 T CA 0.694 62.683 62.100 -0.185 0.000 1.125 1615 T CB 0.075 68.837 68.868 -0.177 0.000 0.874 1615 T HN 0.333 nan 8.240 nan 0.000 0.494 1616 R N 1.353 121.778 120.500 -0.126 0.000 2.062 1616 R HA 0.025 4.365 4.340 0.000 0.000 0.229 1616 R C 2.619 178.846 176.300 -0.122 0.000 1.128 1616 R CA 1.340 57.359 56.100 -0.136 0.000 0.960 1616 R CB -0.242 29.996 30.300 -0.104 0.000 0.855 1616 R HN 0.441 nan 8.270 nan 0.000 0.432 1617 K N 0.399 120.776 120.400 -0.038 0.000 2.063 1617 K HA -0.195 4.125 4.320 0.000 0.000 0.208 1617 K C 2.075 178.696 176.600 0.035 0.000 1.048 1617 K CA 1.503 57.807 56.287 0.029 0.000 0.928 1617 K CB -0.191 32.395 32.500 0.144 0.000 0.713 1617 K HN 0.137 nan 8.250 nan 0.000 0.442 1618 L N 1.203 122.413 121.223 -0.023 0.000 1.994 1618 L HA -0.151 4.189 4.340 0.000 0.000 0.208 1618 L C 2.020 178.763 176.870 -0.212 0.000 1.071 1618 L CA 2.146 56.884 54.840 -0.169 0.000 0.745 1618 L CB -1.065 40.673 42.059 -0.535 0.000 0.892 1618 L HN 0.188 nan 8.230 nan 0.000 0.431 1619 T N -0.002 114.352 114.554 -0.333 0.000 2.720 1619 T HA -0.171 4.179 4.350 0.000 0.000 0.268 1619 T C 1.986 176.346 174.700 -0.566 0.000 1.037 1619 T CA 1.473 63.184 62.100 -0.648 0.000 1.144 1619 T CB -0.247 68.147 68.868 -0.789 0.000 0.864 1619 T HN 0.344 nan 8.240 nan 0.000 0.444 1620 R N 0.306 120.601 120.500 -0.343 0.000 2.096 1620 R HA -0.011 4.329 4.340 0.000 0.000 0.235 1620 R C 2.387 178.583 176.300 -0.174 0.000 1.127 1620 R CA 0.904 56.855 56.100 -0.249 0.000 0.968 1620 R CB -0.678 29.528 30.300 -0.156 0.000 0.861 1620 R HN 0.285 nan 8.270 nan 0.000 0.440 1621 L N 1.215 122.371 121.223 -0.112 0.000 2.027 1621 L HA -0.097 4.243 4.340 0.000 0.000 0.206 1621 L C 2.044 178.884 176.870 -0.050 0.000 1.074 1621 L CA 1.555 56.370 54.840 -0.042 0.000 0.745 1621 L CB -0.522 41.560 42.059 0.038 0.000 0.898 1621 L HN 0.072 nan 8.230 nan 0.000 0.433 1622 L N -0.498 120.681 121.223 -0.074 0.000 2.083 1622 L HA -0.200 4.140 4.340 0.000 0.000 0.209 1622 L C 2.821 179.624 176.870 -0.112 0.000 1.083 1622 L CA 1.661 56.493 54.840 -0.015 0.000 0.752 1622 L CB -0.684 41.438 42.059 0.106 0.000 0.899 1622 L HN 0.358 nan 8.230 nan 0.000 0.433 1623 R N 0.102 120.405 120.500 -0.328 0.000 2.066 1623 R HA -0.158 4.182 4.340 0.000 0.000 0.232 1623 R C 2.218 178.437 176.300 -0.136 0.000 1.131 1623 R CA 1.327 57.086 56.100 -0.570 0.000 0.955 1623 R CB -0.025 29.948 30.300 -0.544 0.000 0.851 1623 R HN 0.228 nan 8.270 nan 0.000 0.432 1624 E N 0.970 121.118 120.200 -0.086 0.000 2.028 1624 E HA -0.142 4.208 4.350 0.000 0.000 0.191 1624 E C 1.680 178.306 176.600 0.042 0.000 0.988 1624 E CA 1.526 57.923 56.400 -0.004 0.000 0.799 1624 E CB 0.019 29.706 29.700 -0.022 0.000 0.755 1624 E HN 0.307 nan 8.360 nan 0.000 0.447 1625 K N -0.553 119.868 120.400 0.035 0.000 2.374 1625 K HA 0.239 4.559 4.320 0.000 0.000 0.196 1625 K C 0.436 177.088 176.600 0.088 0.000 1.023 1625 K CA 0.416 56.736 56.287 0.055 0.000 1.103 1625 K CB 0.941 33.464 32.500 0.038 0.000 0.848 1625 K HN 0.234 nan 8.250 nan 0.000 0.528 1626 G N 0.931 109.810 108.800 0.131 0.000 2.756 1626 G HA2 -0.104 3.856 3.960 0.000 0.000 0.678 1626 G HA3 -0.104 3.856 3.960 0.000 0.000 0.678 1626 G C -0.406 174.583 174.900 0.148 0.000 1.349 1626 G CA -0.795 44.420 45.100 0.193 0.000 0.847 1626 G HN 0.279 nan 8.290 nan 0.000 0.548 1627 A N 0.128 123.043 122.820 0.158 0.000 2.520 1627 A HA 0.556 4.876 4.320 0.000 0.000 0.235 1627 A C 0.662 178.293 177.584 0.077 0.000 1.065 1627 A CA 1.339 53.441 52.037 0.109 0.000 0.764 1627 A CB 0.282 19.330 19.000 0.080 0.000 1.002 1627 A HN 0.960 nan 8.150 nan 0.000 0.502 1628 Q N 0.509 120.348 119.800 0.064 0.000 2.418 1628 Q HA 0.280 4.620 4.340 0.000 0.000 0.282 1628 Q C -1.311 174.717 176.000 0.048 0.000 1.044 1628 Q CA -1.081 54.759 55.803 0.062 0.000 0.813 1628 Q CB 1.856 30.628 28.738 0.057 0.000 1.428 1628 Q HN 0.829 nan 8.270 nan 0.000 0.402 1629 N N -0.022 118.720 118.700 0.070 0.000 2.524 1629 N HA 0.651 5.392 4.740 0.000 0.000 0.283 1629 N C -0.400 175.110 175.510 0.001 0.000 1.142 1629 N CA 0.100 53.175 53.050 0.040 0.000 0.984 1629 N CB 1.619 40.215 38.487 0.183 0.000 1.155 1629 N HN 0.754 nan 8.380 nan 0.000 0.467 1630 G N -1.266 107.489 108.800 -0.076 0.000 2.827 1630 G HA2 0.581 4.541 3.960 0.000 0.000 0.296 1630 G HA3 0.581 4.541 3.960 0.000 0.000 0.296 1630 G C -1.637 173.213 174.900 -0.084 0.000 1.362 1630 G CA -0.426 44.643 45.100 -0.051 0.000 0.809 1630 G HN 0.695 nan 8.290 nan 0.000 0.522 1631 C N -0.160 119.110 119.300 -0.050 0.000 3.006 1631 C HA 0.757 5.218 4.460 0.000 0.000 0.359 1631 C C -1.225 173.742 174.990 -0.039 0.000 1.103 1631 C CA -0.772 58.215 59.018 -0.051 0.000 1.286 1631 C CB -0.005 27.720 27.740 -0.025 0.000 1.694 1631 C HN 0.670 nan 8.230 nan 0.000 0.511 1632 I N 5.476 126.018 120.570 -0.046 0.000 2.404 1632 I HA 0.550 4.720 4.170 0.000 0.000 0.293 1632 I C -0.341 175.762 176.117 -0.023 0.000 0.992 1632 I CA -0.463 60.814 61.300 -0.037 0.000 1.149 1632 I CB 1.582 39.554 38.000 -0.047 0.000 1.315 1632 I HN 0.526 nan 8.210 nan 0.000 0.446 1633 I N 5.482 126.044 120.570 -0.014 0.000 2.418 1633 I HA 0.565 4.736 4.170 0.000 0.000 0.287 1633 I C -0.182 175.936 176.117 0.000 0.000 1.008 1633 I CA -0.480 60.817 61.300 -0.004 0.000 1.104 1633 I CB 1.880 39.883 38.000 0.004 0.000 1.264 1633 I HN 0.615 nan 8.210 nan 0.000 0.438 1634 A N 4.963 127.783 122.820 0.000 0.000 2.291 1634 A HA 0.941 5.261 4.320 0.000 0.000 0.311 1634 A C -0.041 177.547 177.584 0.007 0.000 1.224 1634 A CA -0.256 51.783 52.037 0.004 0.000 0.821 1634 A CB 1.015 20.014 19.000 -0.002 0.000 1.172 1634 A HN 0.905 nan 8.150 nan 0.000 0.494 1635 G N 0.535 109.342 108.800 0.012 0.000 2.427 1635 G HA2 0.380 4.340 3.960 0.000 0.000 0.306 1635 G HA3 0.380 4.340 3.960 0.000 0.000 0.306 1635 G C -0.231 174.677 174.900 0.013 0.000 1.280 1635 G CA -0.045 45.061 45.100 0.010 0.000 0.837 1635 G HN 0.304 nan 8.290 nan 0.000 0.482 1636 D N -0.043 120.363 120.400 0.010 0.000 2.087 1636 D HA -0.062 4.578 4.640 0.000 0.000 0.192 1636 D C 0.537 176.845 176.300 0.013 0.000 0.993 1636 D CA 1.404 55.410 54.000 0.010 0.000 0.828 1636 D CB 0.123 40.927 40.800 0.007 0.000 0.968 1636 D HN 0.292 nan 8.370 nan 0.000 0.448 1637 N N 0.178 118.887 118.700 0.015 0.000 2.707 1637 N HA 0.205 4.945 4.740 0.000 0.000 0.249 1637 N C -2.702 172.823 175.510 0.024 0.000 1.299 1637 N CA -0.802 52.258 53.050 0.018 0.000 0.769 1637 N CB 2.054 40.548 38.487 0.012 0.000 1.236 1637 N HN -0.121 nan 8.380 nan 0.000 0.524 1638 P HA -0.022 nan 4.420 nan 0.000 0.260 1638 P C -0.595 176.729 177.300 0.040 0.000 1.185 1638 P CA 0.130 63.252 63.100 0.037 0.000 0.763 1638 P CB 0.480 32.207 31.700 0.045 0.000 0.776 1639 D N 2.697 123.115 120.400 0.029 0.000 2.344 1639 D HA 0.215 4.855 4.640 0.000 0.000 0.253 1639 D C 1.175 177.493 176.300 0.030 0.000 1.255 1639 D CA -0.113 53.903 54.000 0.028 0.000 0.894 1639 D CB 0.633 41.445 40.800 0.020 0.000 1.067 1639 D HN 0.293 nan 8.370 nan 0.000 0.492 1640 A N 3.785 126.629 122.820 0.041 0.000 2.015 1640 A HA 0.031 4.351 4.320 0.000 0.000 0.219 1640 A C 2.004 179.603 177.584 0.025 0.000 1.163 1640 A CA 1.488 53.547 52.037 0.038 0.000 0.646 1640 A CB -0.226 18.814 19.000 0.067 0.000 0.806 1640 A HN 0.598 nan 8.150 nan 0.000 0.448 1641 A N -0.679 122.155 122.820 0.024 0.000 1.935 1641 A HA 0.170 4.490 4.320 0.000 0.000 0.214 1641 A C 2.026 179.622 177.584 0.019 0.000 1.178 1641 A CA 1.318 53.367 52.037 0.019 0.000 0.640 1641 A CB -0.467 18.543 19.000 0.017 0.000 0.825 1641 A HN 0.563 nan 8.150 nan 0.000 0.447 1642 L N 0.148 121.382 121.223 0.019 0.000 1.994 1642 L HA -0.052 4.288 4.340 0.000 0.000 0.208 1642 L C 2.653 179.535 176.870 0.020 0.000 1.071 1642 L CA 2.278 57.130 54.840 0.019 0.000 0.745 1642 L CB -0.946 41.124 42.059 0.018 0.000 0.892 1642 L HN 0.332 nan 8.230 nan 0.000 0.431 1643 A N -0.569 122.261 122.820 0.017 0.000 1.917 1643 A HA -0.259 4.061 4.320 0.000 0.000 0.219 1643 A C 2.278 179.872 177.584 0.017 0.000 1.182 1643 A CA 2.189 54.233 52.037 0.013 0.000 0.633 1643 A CB -1.149 17.854 19.000 0.005 0.000 0.819 1643 A HN 0.514 nan 8.150 nan 0.000 0.448 1644 L N 0.015 121.249 121.223 0.018 0.000 2.046 1644 L HA -0.153 4.187 4.340 0.000 0.000 0.208 1644 L C 2.294 179.183 176.870 0.032 0.000 1.077 1644 L CA 2.616 57.470 54.840 0.023 0.000 0.747 1644 L CB -0.652 41.419 42.059 0.019 0.000 0.896 1644 L HN 0.614 nan 8.230 nan 0.000 0.432 1645 E N -0.327 119.891 120.200 0.030 0.000 2.051 1645 E HA -0.268 4.082 4.350 0.000 0.000 0.192 1645 E C 2.073 178.701 176.600 0.048 0.000 0.991 1645 E CA 1.545 57.966 56.400 0.035 0.000 0.799 1645 E CB -0.021 29.696 29.700 0.029 0.000 0.748 1645 E HN 0.555 nan 8.360 nan 0.000 0.449 1646 K N 0.102 120.530 120.400 0.046 0.000 2.097 1646 K HA -0.121 4.199 4.320 0.000 0.000 0.206 1646 K C 2.185 178.836 176.600 0.085 0.000 1.049 1646 K CA 1.007 57.331 56.287 0.062 0.000 0.933 1646 K CB -0.154 32.373 32.500 0.045 0.000 0.717 1646 K HN 0.112 nan 8.250 nan 0.000 0.442 1647 A N 1.907 124.764 122.820 0.061 0.000 1.902 1647 A HA -0.155 4.165 4.320 0.000 0.000 0.217 1647 A C 2.088 179.743 177.584 0.118 0.000 1.181 1647 A CA 1.210 53.289 52.037 0.069 0.000 0.623 1647 A CB -0.325 18.698 19.000 0.038 0.000 0.818 1647 A HN 0.210 nan 8.150 nan 0.000 0.443 1648 R N -0.719 119.835 120.500 0.089 0.000 2.115 1648 R HA 0.046 4.386 4.340 0.000 0.000 0.226 1648 R C 2.211 178.568 176.300 0.095 0.000 1.100 1648 R CA 0.961 57.112 56.100 0.085 0.000 0.980 1648 R CB -0.316 30.017 30.300 0.056 0.000 0.875 1648 R HN 0.483 nan 8.270 nan 0.000 0.445 1649 A N 0.926 123.806 122.820 0.100 0.000 2.167 1649 A HA -0.047 4.273 4.320 0.000 0.000 0.214 1649 A C 0.561 178.222 177.584 0.128 0.000 1.151 1649 A CA -0.105 51.986 52.037 0.090 0.000 0.735 1649 A CB -0.316 18.727 19.000 0.071 0.000 0.802 1649 A HN 0.225 nan 8.150 nan 0.000 0.467 1650 F N 1.539 121.502 119.950 0.023 0.000 2.578 1650 F HA 0.243 4.770 4.527 0.000 0.000 0.376 1650 F C -1.101 174.717 175.800 0.029 0.000 1.085 1650 F CA -2.098 55.918 58.000 0.027 0.000 1.260 1650 F CB 0.777 39.794 39.000 0.029 0.000 1.095 1650 F HN 0.006 nan 8.300 nan 0.000 0.573 1651 P HA 0.133 nan 4.420 nan 0.000 0.216 1651 P C 0.084 177.090 177.300 -0.489 0.000 1.153 1651 P CA 1.532 64.333 63.100 -0.499 0.000 0.848 1651 P CB -0.248 31.168 31.700 -0.472 0.000 0.787 1652 G N -1.368 106.866 108.800 -0.944 0.000 2.617 1652 G HA2 -0.086 3.874 3.960 0.000 0.000 0.686 1652 G HA3 -0.086 3.874 3.960 0.000 0.000 0.686 1652 G C -0.206 174.632 174.900 -0.103 0.000 1.214 1652 G CA -0.607 44.352 45.100 -0.234 0.000 0.796 1652 G HN 0.075 nan 8.290 nan 0.000 0.654 1653 L N 0.998 122.320 121.223 0.165 0.000 2.313 1653 L HA 0.181 4.521 4.340 0.000 0.000 0.214 1653 L C 1.706 178.754 176.870 0.297 0.000 1.119 1653 L CA 0.692 55.676 54.840 0.240 0.000 0.809 1653 L CB -0.716 41.535 42.059 0.320 0.000 0.933 1653 L HN 0.657 nan 8.230 nan 0.000 0.449 1654 N N 0.008 118.853 118.700 0.241 0.000 2.452 1654 N HA 0.238 4.978 4.740 0.000 0.000 0.266 1654 N C 1.103 176.682 175.510 0.114 0.000 1.209 1654 N CA 0.674 53.888 53.050 0.273 0.000 0.929 1654 N CB 0.217 38.807 38.487 0.172 0.000 1.063 1654 N HN 0.325 nan 8.380 nan 0.000 0.472 1655 G N 3.223 112.055 108.800 0.053 0.000 2.148 1655 G HA2 -0.308 3.652 3.960 0.000 0.000 0.254 1655 G HA3 -0.308 3.652 3.960 0.000 0.000 0.254 1655 G C 0.079 174.955 174.900 -0.040 0.000 0.981 1655 G CA 0.086 45.168 45.100 -0.029 0.000 0.670 1655 G HN 0.588 nan 8.290 nan 0.000 0.528 1656 M N 1.604 121.192 119.600 -0.021 0.000 2.080 1656 M HA 0.455 4.935 4.480 0.000 0.000 0.350 1656 M C -0.544 175.742 176.300 -0.024 0.000 1.173 1656 M CA -0.770 54.521 55.300 -0.014 0.000 1.052 1656 M CB 0.798 33.403 32.600 0.008 0.000 1.577 1656 M HN 0.122 nan 8.290 nan 0.000 0.455 1657 D N 5.261 125.656 120.400 -0.009 0.000 2.339 1657 D HA 0.213 4.853 4.640 0.000 0.000 0.241 1657 D C -0.046 176.285 176.300 0.051 0.000 1.183 1657 D CA -0.071 53.935 54.000 0.009 0.000 0.859 1657 D CB 0.674 41.511 40.800 0.062 0.000 1.067 1657 D HN 0.765 nan 8.370 nan 0.000 0.484 1658 L N 3.200 124.455 121.223 0.053 0.000 2.731 1658 L HA 0.284 4.624 4.340 0.000 0.000 0.240 1658 L C 2.190 179.125 176.870 0.107 0.000 1.120 1658 L CA 0.049 54.941 54.840 0.087 0.000 0.913 1658 L CB 0.116 42.236 42.059 0.102 0.000 1.213 1658 L HN 0.471 nan 8.230 nan 0.000 0.515 1659 A N 1.812 124.702 122.820 0.117 0.000 1.902 1659 A HA -0.224 4.096 4.320 0.000 0.000 0.217 1659 A C 2.320 180.041 177.584 0.229 0.000 1.181 1659 A CA 1.984 54.136 52.037 0.193 0.000 0.623 1659 A CB -0.327 18.809 19.000 0.226 0.000 0.818 1659 A HN 0.507 nan 8.150 nan 0.000 0.443 1660 K N -0.443 120.088 120.400 0.218 0.000 2.209 1660 K HA -0.116 4.204 4.320 0.000 0.000 0.204 1660 K C 1.191 177.840 176.600 0.082 0.000 1.048 1660 K CA 1.467 57.827 56.287 0.121 0.000 0.940 1660 K CB -0.214 32.306 32.500 0.035 0.000 0.729 1660 K HN 0.457 nan 8.250 nan 0.000 0.451 1661 E N 1.194 121.453 120.200 0.099 0.000 2.285 1661 E HA -0.068 4.282 4.350 0.000 0.000 0.194 1661 E C 1.824 178.492 176.600 0.113 0.000 0.997 1661 E CA 1.410 57.867 56.400 0.094 0.000 0.845 1661 E CB 0.481 30.241 29.700 0.099 0.000 0.782 1661 E HN 0.456 nan 8.360 nan 0.000 0.491 1662 V N -2.232 117.758 119.914 0.126 0.000 3.477 1662 V HA 0.200 4.320 4.120 0.000 0.000 0.297 1662 V C 0.901 177.066 176.094 0.118 0.000 1.433 1662 V CA -0.335 62.051 62.300 0.143 0.000 1.052 1662 V CB 0.408 32.311 31.823 0.134 0.000 0.895 1662 V HN -0.089 nan 8.190 nan 0.000 0.438 1663 T N 1.484 116.102 114.554 0.105 0.000 2.860 1663 T HA 0.255 4.605 4.350 0.000 0.000 0.299 1663 T C 0.456 175.207 174.700 0.086 0.000 1.045 1663 T CA 0.907 63.058 62.100 0.086 0.000 1.071 1663 T CB 1.029 69.942 68.868 0.075 0.000 0.985 1663 T HN 0.634 nan 8.240 nan 0.000 0.537 1664 T N 1.924 116.539 114.554 0.101 0.000 2.900 1664 T HA 0.445 4.795 4.350 0.000 0.000 0.307 1664 T C 1.322 176.072 174.700 0.083 0.000 1.065 1664 T CA -0.013 62.166 62.100 0.132 0.000 1.105 1664 T CB 0.228 69.263 68.868 0.278 0.000 0.979 1664 T HN 0.732 nan 8.240 nan 0.000 0.544 1665 A N 3.525 126.389 122.820 0.073 0.000 1.874 1665 A HA 0.177 4.497 4.320 0.000 0.000 0.214 1665 A C 0.694 178.307 177.584 0.048 0.000 1.189 1665 A CA 0.912 52.977 52.037 0.047 0.000 0.615 1665 A CB -0.239 18.783 19.000 0.036 0.000 0.830 1665 A HN 0.900 nan 8.150 nan 0.000 0.443 1666 E N -1.250 118.997 120.200 0.079 0.000 2.336 1666 E HA 0.679 5.029 4.350 0.000 0.000 0.267 1666 E C -0.564 176.119 176.600 0.139 0.000 0.906 1666 E CA -0.780 55.667 56.400 0.079 0.000 0.781 1666 E CB 1.577 31.316 29.700 0.066 0.000 1.261 1666 E HN 0.258 nan 8.360 nan 0.000 0.436 1667 A N 1.402 124.270 122.820 0.081 0.000 2.445 1667 A HA 0.452 4.772 4.320 0.000 0.000 0.242 1667 A C -0.944 176.740 177.584 0.167 0.000 1.075 1667 A CA -0.025 52.044 52.037 0.052 0.000 0.777 1667 A CB -0.262 18.726 19.000 -0.021 0.000 1.013 1667 A HN 0.638 nan 8.150 nan 0.000 0.493 1668 Y N -0.436 119.888 120.300 0.040 0.000 2.615 1668 Y HA 0.738 5.288 4.550 0.000 0.000 0.341 1668 Y C -0.179 175.785 175.900 0.107 0.000 1.089 1668 Y CA -0.894 57.249 58.100 0.072 0.000 1.049 1668 Y CB 0.953 39.467 38.460 0.090 0.000 1.296 1668 Y HN 0.629 nan 8.280 nan 0.000 0.470 1669 S N 2.537 118.385 115.700 0.246 0.000 2.475 1669 S HA 0.502 4.972 4.470 0.000 0.000 0.298 1669 S C -1.606 173.188 174.600 0.322 0.000 1.119 1669 S CA -0.410 57.901 58.200 0.186 0.000 1.085 1669 S CB 0.584 63.853 63.200 0.115 0.000 1.028 1669 S HN 0.824 nan 8.310 nan 0.000 0.489 1670 W N 4.817 126.169 121.300 0.087 0.000 2.739 1670 W HA 0.438 5.098 4.660 0.000 0.000 0.331 1670 W C -0.641 175.921 176.519 0.071 0.000 1.049 1670 W CA -0.657 56.757 57.345 0.114 0.000 1.234 1670 W CB 1.879 31.400 29.460 0.101 0.000 1.404 1670 W HN 0.832 nan 8.180 nan 0.000 0.477 1671 T N 1.003 115.438 114.554 -0.200 0.000 3.604 1671 T HA 0.139 4.489 4.350 0.000 0.000 0.305 1671 T C -0.421 174.188 174.700 -0.152 0.000 0.978 1671 T CA -0.241 61.830 62.100 -0.048 0.000 0.999 1671 T CB 0.157 69.005 68.868 -0.033 0.000 1.204 1671 T HN 0.489 nan 8.240 nan 0.000 0.476 1672 Q N 0.869 120.431 119.800 -0.396 0.000 2.307 1672 Q HA 0.637 4.977 4.340 0.000 0.000 0.262 1672 Q C 0.396 176.492 176.000 0.159 0.000 0.961 1672 Q CA -0.681 54.992 55.803 -0.216 0.000 0.882 1672 Q CB 1.404 29.846 28.738 -0.495 0.000 1.264 1672 Q HN 0.530 nan 8.270 nan 0.000 0.446 1673 G N 1.706 110.569 108.800 0.104 0.000 2.508 1673 G HA2 0.262 4.222 3.960 0.000 0.000 0.278 1673 G HA3 0.262 4.222 3.960 0.000 0.000 0.278 1673 G C -0.363 174.621 174.900 0.141 0.000 1.389 1673 G CA -0.267 44.906 45.100 0.122 0.000 1.050 1673 G HN 0.746 nan 8.290 nan 0.000 0.522 1674 S N -1.664 114.099 115.700 0.106 0.000 2.632 1674 S HA 0.302 4.772 4.470 0.000 0.000 0.267 1674 S C -0.416 174.296 174.600 0.188 0.000 1.276 1674 S CA -0.682 57.604 58.200 0.143 0.000 0.998 1674 S CB 1.072 64.328 63.200 0.093 0.000 0.953 1674 S HN 0.651 nan 8.310 nan 0.000 0.547 1675 W N 2.147 123.466 121.300 0.032 0.000 2.126 1675 W HA 0.460 5.120 4.660 0.000 0.000 0.346 1675 W C 0.082 176.621 176.519 0.033 0.000 1.279 1675 W CA 0.278 57.644 57.345 0.034 0.000 1.259 1675 W CB 0.597 30.080 29.460 0.037 0.000 1.133 1675 W HN 0.911 nan 8.180 nan 0.000 0.592 1676 T N 3.570 117.617 114.554 -0.846 0.000 2.900 1676 T HA 0.236 4.586 4.350 0.000 0.000 0.295 1676 T C 0.159 173.852 174.700 -1.678 0.000 1.044 1676 T CA -0.791 60.748 62.100 -0.934 0.000 0.995 1676 T CB 1.565 70.186 68.868 -0.412 0.000 1.072 1676 T HN 0.681 nan 8.240 nan 0.000 0.473 1677 L N 2.586 123.038 121.223 -1.284 0.000 2.043 1677 L HA -0.016 4.324 4.340 0.000 0.000 0.212 1677 L C 2.459 179.104 176.870 -0.375 0.000 1.075 1677 L CA 2.354 56.735 54.840 -0.764 0.000 0.752 1677 L CB -1.084 40.878 42.059 -0.161 0.000 0.891 1677 L HN 0.962 nan 8.230 nan 0.000 0.432 1678 T N -1.147 113.210 114.554 -0.328 0.000 2.770 1678 T HA -0.013 4.337 4.350 0.000 0.000 0.263 1678 T C 1.397 175.989 174.700 -0.180 0.000 1.039 1678 T CA 1.263 63.252 62.100 -0.186 0.000 1.142 1678 T CB -0.523 68.262 68.868 -0.138 0.000 0.868 1678 T HN 0.546 nan 8.240 nan 0.000 0.435 1679 G N -0.368 108.279 108.800 -0.254 0.000 3.159 1679 G HA2 0.489 4.450 3.960 0.000 0.000 0.232 1679 G HA3 0.489 4.450 3.960 0.000 0.000 0.232 1679 G C 0.847 175.640 174.900 -0.178 0.000 1.116 1679 G CA 0.341 45.338 45.100 -0.171 0.000 0.767 1679 G HN 0.766 nan 8.290 nan 0.000 0.547 1680 G N 0.409 108.993 108.800 -0.361 0.000 2.566 1680 G HA2 -0.284 3.676 3.960 0.000 0.000 0.280 1680 G HA3 -0.284 3.676 3.960 0.000 0.000 0.280 1680 G C 0.054 174.929 174.900 -0.042 0.000 1.225 1680 G CA -0.053 44.916 45.100 -0.218 0.000 0.966 1680 G HN 0.595 nan 8.290 nan 0.000 0.560 1681 L N 3.308 124.664 121.223 0.222 0.000 2.360 1681 L HA 0.378 4.718 4.340 0.000 0.000 0.276 1681 L C -1.052 175.858 176.870 0.067 0.000 1.121 1681 L CA -1.422 53.533 54.840 0.191 0.000 0.845 1681 L CB 1.045 43.228 42.059 0.207 0.000 1.143 1681 L HN 0.532 nan 8.230 nan 0.000 0.452 1682 P HA 0.128 nan 4.420 nan 0.000 0.276 1682 P C -1.231 176.057 177.300 -0.019 0.000 1.252 1682 P CA -0.710 62.389 63.100 -0.003 0.000 0.802 1682 P CB 0.731 32.429 31.700 -0.004 0.000 1.035 1683 Q N 0.121 119.901 119.800 -0.032 0.000 2.421 1683 Q HA 0.338 4.678 4.340 0.000 0.000 0.255 1683 Q C 0.333 176.288 176.000 -0.076 0.000 1.013 1683 Q CA -0.147 55.625 55.803 -0.052 0.000 0.895 1683 Q CB 0.264 28.976 28.738 -0.044 0.000 1.271 1683 Q HN 0.571 nan 8.270 nan 0.000 0.460 1684 A N 2.524 125.276 122.820 -0.113 0.000 2.498 1684 A HA 0.071 4.391 4.320 0.000 0.000 0.239 1684 A C 0.183 177.713 177.584 -0.090 0.000 1.068 1684 A CA 0.096 52.046 52.037 -0.145 0.000 0.766 1684 A CB 0.150 19.027 19.000 -0.205 0.000 1.003 1684 A HN 0.588 nan 8.150 nan 0.000 0.497 1685 K N 0.789 121.144 120.400 -0.076 0.000 2.138 1685 K HA 0.261 4.581 4.320 0.000 0.000 0.251 1685 K C -0.275 176.298 176.600 -0.045 0.000 1.015 1685 K CA -0.223 56.036 56.287 -0.047 0.000 0.917 1685 K CB 0.555 33.039 32.500 -0.027 0.000 1.021 1685 K HN 0.612 nan 8.250 nan 0.000 0.485 1686 K N 1.513 121.891 120.400 -0.037 0.000 2.234 1686 K HA 0.023 4.343 4.320 0.000 0.000 0.282 1686 K C 0.537 177.118 176.600 -0.031 0.000 1.039 1686 K CA 0.067 56.334 56.287 -0.034 0.000 0.928 1686 K CB 0.974 33.455 32.500 -0.032 0.000 1.039 1686 K HN 0.467 nan 8.250 nan 0.000 0.470 1687 E N 1.358 121.540 120.200 -0.030 0.000 2.169 1687 E HA -0.305 4.045 4.350 0.000 0.000 0.202 1687 E C 1.156 177.733 176.600 -0.039 0.000 1.016 1687 E CA 1.935 58.316 56.400 -0.031 0.000 0.817 1687 E CB 0.048 29.723 29.700 -0.041 0.000 0.736 1687 E HN 0.693 nan 8.360 nan 0.000 0.462 1688 D N 0.504 120.880 120.400 -0.039 0.000 2.310 1688 D HA -0.187 4.454 4.640 0.000 0.000 0.212 1688 D C 0.978 177.246 176.300 -0.052 0.000 0.965 1688 D CA 0.994 54.967 54.000 -0.044 0.000 0.879 1688 D CB -0.303 40.475 40.800 -0.037 0.000 0.921 1688 D HN 0.363 nan 8.370 nan 0.000 0.510 1689 E N -0.303 119.868 120.200 -0.048 0.000 2.481 1689 E HA 0.138 4.488 4.350 0.000 0.000 0.195 1689 E C 0.196 176.755 176.600 -0.069 0.000 1.047 1689 E CA 0.042 56.411 56.400 -0.052 0.000 0.867 1689 E CB 0.182 29.858 29.700 -0.039 0.000 0.858 1689 E HN 0.320 nan 8.360 nan 0.000 0.513 1690 L N 2.351 123.532 121.223 -0.069 0.000 2.294 1690 L HA 0.250 4.590 4.340 0.000 0.000 0.283 1690 L C -1.656 175.121 176.870 -0.154 0.000 1.015 1690 L CA -1.845 52.944 54.840 -0.086 0.000 0.831 1690 L CB 1.346 43.403 42.059 -0.005 0.000 1.217 1690 L HN -0.149 nan 8.230 nan 0.000 0.420 1691 P HA -0.093 nan 4.420 nan 0.000 0.215 1691 P C 0.095 177.145 177.300 -0.416 0.000 1.157 1691 P CA 1.201 63.996 63.100 -0.509 0.000 0.859 1691 P CB 0.081 31.162 31.700 -1.032 0.000 0.786 1692 F N -1.057 118.927 119.950 0.058 0.000 2.408 1692 F HA 0.478 5.005 4.527 0.000 0.000 0.325 1692 F C 1.022 176.913 175.800 0.151 0.000 1.082 1692 F CA -1.020 57.026 58.000 0.078 0.000 1.032 1692 F CB 0.145 39.161 39.000 0.026 0.000 1.259 1692 F HN -0.065 nan 8.300 nan 0.000 0.503 1693 H N 0.575 119.781 119.070 0.227 0.000 3.092 1693 H HA 0.605 5.161 4.556 0.000 0.000 0.308 1693 H C -2.052 173.350 175.328 0.122 0.000 1.047 1693 H CA -0.558 55.573 56.048 0.139 0.000 1.466 1693 H CB 1.306 31.127 29.762 0.098 0.000 1.597 1693 H HN 0.506 nan 8.280 nan 0.000 0.512 1694 V N 5.388 125.309 119.914 0.012 0.000 2.630 1694 V HA 0.222 4.342 4.120 0.000 0.000 0.305 1694 V C -0.011 175.965 176.094 -0.196 0.000 1.046 1694 V CA -0.805 61.434 62.300 -0.101 0.000 0.934 1694 V CB 1.926 33.840 31.823 0.151 0.000 1.003 1694 V HN 0.506 nan 8.190 nan 0.000 0.451 1695 V N 3.687 123.471 119.914 -0.217 0.000 2.350 1695 V HA 0.666 4.786 4.120 0.000 0.000 0.276 1695 V C 0.422 176.491 176.094 -0.042 0.000 1.028 1695 V CA -0.411 61.791 62.300 -0.164 0.000 0.860 1695 V CB 1.179 32.885 31.823 -0.195 0.000 0.990 1695 V HN 0.969 nan 8.190 nan 0.000 0.453 1696 A N 4.891 127.679 122.820 -0.053 0.000 2.288 1696 A HA 0.708 5.028 4.320 0.000 0.000 0.320 1696 A C -0.942 176.530 177.584 -0.187 0.000 1.217 1696 A CA -0.455 51.589 52.037 0.011 0.000 0.840 1696 A CB 0.289 19.342 19.000 0.089 0.000 1.179 1696 A HN 0.706 nan 8.150 nan 0.000 0.504 1697 Y N 1.770 121.896 120.300 -0.290 0.000 2.480 1697 Y HA 0.138 4.688 4.550 0.000 0.000 0.341 1697 Y C 0.605 176.058 175.900 -0.745 0.000 1.031 1697 Y CA 0.443 58.184 58.100 -0.599 0.000 1.295 1697 Y CB 0.811 38.776 38.460 -0.824 0.000 1.162 1697 Y HN 0.673 nan 8.280 nan 0.000 0.523 1698 D N 4.313 124.402 120.400 -0.519 0.000 2.422 1698 D HA 0.077 4.717 4.640 0.000 0.000 0.227 1698 D C -0.548 175.573 176.300 -0.298 0.000 1.190 1698 D CA 0.074 53.888 54.000 -0.310 0.000 0.905 1698 D CB -0.134 40.576 40.800 -0.150 0.000 1.034 1698 D HN 0.354 nan 8.370 nan 0.000 0.507 1699 F N 0.836 120.804 119.950 0.030 0.000 2.639 1699 F HA 0.340 4.867 4.527 0.000 0.000 0.302 1699 F C 1.645 177.438 175.800 -0.013 0.000 1.097 1699 F CA -0.345 57.667 58.000 0.020 0.000 1.294 1699 F CB 0.608 39.586 39.000 -0.036 0.000 1.027 1699 F HN 0.494 nan 8.300 nan 0.000 0.550 1700 G N 0.691 109.548 108.800 0.096 0.000 2.468 1700 G HA2 0.134 4.094 3.960 0.000 0.000 0.143 1700 G HA3 0.134 4.094 3.960 0.000 0.000 0.143 1700 G C 0.016 174.902 174.900 -0.023 0.000 1.065 1700 G CA -0.592 44.513 45.100 0.007 0.000 0.776 1700 G HN 0.522 nan 8.290 nan 0.000 0.486 1701 A N 0.426 123.244 122.820 -0.003 0.000 2.546 1701 A HA 0.541 4.861 4.320 0.000 0.000 0.243 1701 A C 0.855 178.417 177.584 -0.037 0.000 1.063 1701 A CA 0.550 52.584 52.037 -0.005 0.000 0.757 1701 A CB 0.309 19.299 19.000 -0.017 0.000 0.991 1701 A HN 0.546 nan 8.150 nan 0.000 0.503 1702 K N 1.893 122.275 120.400 -0.029 0.000 2.185 1702 K HA 0.225 4.545 4.320 0.000 0.000 0.271 1702 K C 0.890 177.432 176.600 -0.097 0.000 1.013 1702 K CA -0.532 55.733 56.287 -0.036 0.000 0.943 1702 K CB 1.079 33.578 32.500 -0.003 0.000 0.998 1702 K HN 0.692 nan 8.250 nan 0.000 0.468 1703 R N 1.160 121.611 120.500 -0.082 0.000 2.120 1703 R HA -0.175 4.165 4.340 0.000 0.000 0.234 1703 R C 1.672 177.891 176.300 -0.134 0.000 1.123 1703 R CA 1.357 57.357 56.100 -0.167 0.000 0.975 1703 R CB -0.273 30.051 30.300 0.040 0.000 0.866 1703 R HN 0.551 nan 8.270 nan 0.000 0.446 1704 N N 0.873 119.546 118.700 -0.044 0.000 2.205 1704 N HA -0.108 4.633 4.740 0.000 0.000 0.186 1704 N C 1.551 177.007 175.510 -0.090 0.000 1.015 1704 N CA 1.010 54.039 53.050 -0.035 0.000 0.862 1704 N CB -0.038 38.445 38.487 -0.007 0.000 0.986 1704 N HN 0.187 nan 8.380 nan 0.000 0.429 1705 I N 0.136 120.653 120.570 -0.088 0.000 2.142 1705 I HA -0.283 3.888 4.170 0.000 0.000 0.240 1705 I C 1.931 177.899 176.117 -0.248 0.000 1.078 1705 I CA 0.870 62.118 61.300 -0.086 0.000 1.343 1705 I CB -0.416 37.571 38.000 -0.022 0.000 1.046 1705 I HN 0.169 nan 8.210 nan 0.000 0.405 1706 L N 0.322 121.335 121.223 -0.350 0.000 1.990 1706 L HA -0.255 4.085 4.340 0.000 0.000 0.213 1706 L C 2.803 179.550 176.870 -0.204 0.000 1.072 1706 L CA 1.788 56.323 54.840 -0.508 0.000 0.755 1706 L CB -0.890 40.422 42.059 -1.244 0.000 0.889 1706 L HN 0.253 nan 8.230 nan 0.000 0.432 1707 R N -0.452 120.021 120.500 -0.045 0.000 2.081 1707 R HA -0.125 4.216 4.340 0.000 0.000 0.235 1707 R C 2.354 178.652 176.300 -0.003 0.000 1.131 1707 R CA 1.365 57.565 56.100 0.167 0.000 0.960 1707 R CB -0.220 30.189 30.300 0.181 0.000 0.856 1707 R HN 0.357 nan 8.270 nan 0.000 0.436 1708 M N 0.209 119.693 119.600 -0.193 0.000 2.296 1708 M HA -0.131 4.349 4.480 0.000 0.000 0.265 1708 M C 2.051 178.134 176.300 -0.362 0.000 1.064 1708 M CA 1.348 56.407 55.300 -0.402 0.000 1.109 1708 M CB -0.080 32.037 32.600 -0.805 0.000 1.396 1708 M HN 0.181 nan 8.290 nan 0.000 0.430 1709 L N -0.870 120.215 121.223 -0.231 0.000 2.044 1709 L HA -0.150 4.190 4.340 0.000 0.000 0.205 1709 L C 2.420 179.330 176.870 0.067 0.000 1.075 1709 L CA 0.742 55.569 54.840 -0.021 0.000 0.747 1709 L CB -0.565 41.483 42.059 -0.018 0.000 0.903 1709 L HN 0.074 nan 8.230 nan 0.000 0.435 1710 V N -0.028 119.938 119.914 0.087 0.000 2.287 1710 V HA -0.326 3.794 4.120 0.000 0.000 0.248 1710 V C 2.042 178.190 176.094 0.090 0.000 1.053 1710 V CA 1.983 64.367 62.300 0.139 0.000 1.027 1710 V CB -0.553 31.398 31.823 0.213 0.000 0.646 1710 V HN 0.452 nan 8.190 nan 0.000 0.447 1711 D N -0.159 120.266 120.400 0.043 0.000 2.221 1711 D HA -0.139 4.501 4.640 0.000 0.000 0.204 1711 D C 2.159 178.483 176.300 0.040 0.000 0.982 1711 D CA 1.057 55.069 54.000 0.020 0.000 0.857 1711 D CB -0.234 40.549 40.800 -0.029 0.000 0.934 1711 D HN 0.400 nan 8.370 nan 0.000 0.475 1712 R N -0.871 119.668 120.500 0.066 0.000 2.388 1712 R HA 0.287 4.628 4.340 0.000 0.000 0.247 1712 R C 1.049 177.493 176.300 0.241 0.000 0.931 1712 R CA 0.417 56.595 56.100 0.131 0.000 1.082 1712 R CB 0.590 30.971 30.300 0.134 0.000 1.135 1712 R HN 0.126 nan 8.270 nan 0.000 0.525 1713 G N -0.119 108.794 108.800 0.188 0.000 2.163 1713 G HA2 -0.244 3.716 3.960 0.000 0.000 0.213 1713 G HA3 -0.244 3.716 3.960 0.000 0.000 0.213 1713 G C 0.174 175.222 174.900 0.246 0.000 0.991 1713 G CA -0.411 44.786 45.100 0.163 0.000 0.653 1713 G HN 0.326 nan 8.290 nan 0.000 0.518 1714 C N 0.746 120.217 119.300 0.284 0.000 2.398 1714 C HA 0.852 5.312 4.460 0.000 0.000 0.364 1714 C C 0.783 175.897 174.990 0.207 0.000 1.219 1714 C CA -0.562 58.630 59.018 0.289 0.000 2.312 1714 C CB 1.182 29.084 27.740 0.269 0.000 2.428 1714 C HN 0.739 nan 8.230 nan 0.000 0.564 1715 R N 2.074 122.709 120.500 0.225 0.000 2.561 1715 R HA 0.829 5.169 4.340 0.000 0.000 0.297 1715 R C -1.837 174.637 176.300 0.290 0.000 0.969 1715 R CA -0.437 55.784 56.100 0.202 0.000 0.879 1715 R CB 0.747 31.117 30.300 0.117 0.000 1.178 1715 R HN 0.818 nan 8.270 nan 0.000 0.445 1716 L N 1.562 122.943 121.223 0.263 0.000 2.309 1716 L HA 0.594 4.934 4.340 0.000 0.000 0.261 1716 L C -0.389 176.598 176.870 0.195 0.000 1.021 1716 L CA -1.182 53.806 54.840 0.246 0.000 0.823 1716 L CB 2.569 44.722 42.059 0.157 0.000 1.366 1716 L HN 0.622 nan 8.230 nan 0.000 0.423 1717 T N 2.395 117.036 114.554 0.145 0.000 2.892 1717 T HA 0.490 4.840 4.350 0.000 0.000 0.311 1717 T C -0.407 174.208 174.700 -0.140 0.000 1.033 1717 T CA -0.359 61.769 62.100 0.046 0.000 0.991 1717 T CB 0.480 69.470 68.868 0.204 0.000 0.981 1717 T HN 0.134 nan 8.240 nan 0.000 0.457 1718 I N 4.950 125.305 120.570 -0.358 0.000 2.441 1718 I HA 0.408 4.578 4.170 0.000 0.000 0.287 1718 I C 0.547 176.414 176.117 -0.416 0.000 1.049 1718 I CA -1.151 59.844 61.300 -0.510 0.000 1.381 1718 I CB 0.384 37.766 38.000 -1.030 0.000 1.409 1718 I HN 0.346 nan 8.210 nan 0.000 0.523 1719 V N 5.297 124.979 119.914 -0.387 0.000 2.864 1719 V HA 0.750 4.870 4.120 0.000 0.000 0.314 1719 V C -2.737 173.153 176.094 -0.341 0.000 1.073 1719 V CA -2.488 59.597 62.300 -0.358 0.000 0.956 1719 V CB 1.942 33.477 31.823 -0.480 0.000 1.023 1719 V HN 0.481 nan 8.190 nan 0.000 0.435 1720 P HA 0.211 nan 4.420 nan 0.000 0.267 1720 P C 0.916 178.144 177.300 -0.119 0.000 1.200 1720 P CA 0.754 63.783 63.100 -0.119 0.000 0.772 1720 P CB 0.885 32.556 31.700 -0.048 0.000 0.855 1721 A N 3.428 126.238 122.820 -0.017 0.000 1.929 1721 A HA -0.310 4.010 4.320 0.000 0.000 0.221 1721 A C 1.668 179.534 177.584 0.470 0.000 1.211 1721 A CA 2.153 54.326 52.037 0.227 0.000 0.657 1721 A CB -1.477 17.778 19.000 0.425 0.000 0.827 1721 A HN 0.631 nan 8.150 nan 0.000 0.462 1722 Q N 0.513 120.400 119.800 0.145 0.000 2.466 1722 Q HA 0.112 4.452 4.340 0.000 0.000 0.210 1722 Q C 0.315 176.426 176.000 0.184 0.000 0.961 1722 Q CA 0.606 56.452 55.803 0.071 0.000 0.953 1722 Q CB -0.647 27.925 28.738 -0.277 0.000 1.011 1722 Q HN 0.593 nan 8.270 nan 0.000 0.516 1723 T N 0.881 115.550 114.554 0.192 0.000 2.946 1723 T HA 0.128 4.478 4.350 0.000 0.000 0.311 1723 T C 0.488 175.369 174.700 0.302 0.000 1.063 1723 T CA 0.003 62.183 62.100 0.134 0.000 1.139 1723 T CB 0.726 69.522 68.868 -0.119 0.000 0.994 1723 T HN 0.407 nan 8.240 nan 0.000 0.547 1724 S N 1.489 117.299 115.700 0.184 0.000 2.601 1724 S HA 0.510 4.980 4.470 0.000 0.000 0.271 1724 S C 1.604 176.321 174.600 0.193 0.000 1.305 1724 S CA -0.480 57.812 58.200 0.154 0.000 1.022 1724 S CB 1.053 64.303 63.200 0.082 0.000 0.940 1724 S HN 0.792 nan 8.310 nan 0.000 0.525 1725 A N 2.195 125.036 122.820 0.035 0.000 1.883 1725 A HA -0.068 4.253 4.320 0.000 0.000 0.217 1725 A C 1.998 179.677 177.584 0.158 0.000 1.186 1725 A CA 1.949 53.944 52.037 -0.069 0.000 0.624 1725 A CB -1.402 17.301 19.000 -0.496 0.000 0.822 1725 A HN 0.915 nan 8.150 nan 0.000 0.444 1726 E N 0.812 121.058 120.200 0.077 0.000 2.070 1726 E HA -0.189 4.161 4.350 0.000 0.000 0.197 1726 E C 1.625 178.294 176.600 0.116 0.000 1.004 1726 E CA 1.676 58.130 56.400 0.090 0.000 0.805 1726 E CB -0.314 29.417 29.700 0.052 0.000 0.744 1726 E HN 0.660 nan 8.360 nan 0.000 0.451 1727 D N -0.242 120.225 120.400 0.112 0.000 2.144 1727 D HA -0.098 4.542 4.640 0.000 0.000 0.200 1727 D C 2.032 178.405 176.300 0.121 0.000 0.978 1727 D CA 0.654 54.711 54.000 0.096 0.000 0.833 1727 D CB -0.283 40.557 40.800 0.067 0.000 0.961 1727 D HN 0.055 nan 8.370 nan 0.000 0.470 1728 V N 1.631 121.663 119.914 0.196 0.000 2.223 1728 V HA -0.236 3.884 4.120 0.000 0.000 0.244 1728 V C 2.725 178.935 176.094 0.193 0.000 1.045 1728 V CA 1.318 63.754 62.300 0.227 0.000 1.000 1728 V CB -0.626 31.480 31.823 0.472 0.000 0.635 1728 V HN 0.157 nan 8.190 nan 0.000 0.445 1729 L N -0.432 120.951 121.223 0.268 0.000 2.189 1729 L HA -0.247 4.093 4.340 0.000 0.000 0.214 1729 L C 2.450 179.403 176.870 0.139 0.000 1.097 1729 L CA 1.614 56.575 54.840 0.202 0.000 0.764 1729 L CB -0.692 41.498 42.059 0.219 0.000 0.900 1729 L HN 0.298 nan 8.230 nan 0.000 0.436 1730 K N -0.112 120.363 120.400 0.126 0.000 2.442 1730 K HA -0.088 4.232 4.320 0.000 0.000 0.198 1730 K C 1.911 178.570 176.600 0.099 0.000 1.044 1730 K CA 0.956 57.303 56.287 0.099 0.000 0.948 1730 K CB 0.036 32.587 32.500 0.085 0.000 0.762 1730 K HN 0.320 nan 8.250 nan 0.000 0.472 1731 M N -0.520 119.146 119.600 0.110 0.000 2.509 1731 M HA 0.027 4.507 4.480 0.000 0.000 0.250 1731 M C -0.383 176.015 176.300 0.163 0.000 1.132 1731 M CA 0.435 55.816 55.300 0.136 0.000 1.080 1731 M CB 0.132 32.826 32.600 0.157 0.000 1.408 1731 M HN 0.102 nan 8.290 nan 0.000 0.484 1732 N N 0.302 119.081 118.700 0.132 0.000 2.746 1732 N HA -0.101 4.639 4.740 0.000 0.000 0.250 1732 N C -2.624 172.980 175.510 0.157 0.000 1.055 1732 N CA -0.291 52.846 53.050 0.145 0.000 0.699 1732 N CB -1.159 37.413 38.487 0.141 0.000 0.919 1732 N HN 0.273 nan 8.380 nan 0.000 0.548 1733 P HA 0.119 nan 4.420 nan 0.000 0.274 1733 P C -0.038 177.258 177.300 -0.006 0.000 1.231 1733 P CA -0.080 62.971 63.100 -0.083 0.000 0.790 1733 P CB 0.792 32.343 31.700 -0.247 0.000 0.951 1734 D N -0.028 120.373 120.400 0.001 0.000 2.277 1734 D HA 0.104 4.744 4.640 0.000 0.000 0.208 1734 D C 1.101 177.254 176.300 -0.246 0.000 0.962 1734 D CA 1.106 55.128 54.000 0.038 0.000 0.865 1734 D CB 0.282 41.170 40.800 0.147 0.000 0.939 1734 D HN 0.606 nan 8.370 nan 0.000 0.510 1735 G N -0.250 108.408 108.800 -0.236 0.000 2.576 1735 G HA2 0.546 4.506 3.960 0.000 0.000 0.290 1735 G HA3 0.546 4.506 3.960 0.000 0.000 0.290 1735 G C -1.620 173.262 174.900 -0.029 0.000 1.442 1735 G CA -0.703 44.270 45.100 -0.212 0.000 0.792 1735 G HN -0.015 nan 8.290 nan 0.000 0.491 1736 I N 0.332 120.962 120.570 0.099 0.000 2.545 1736 I HA 0.467 4.638 4.170 0.000 0.000 0.292 1736 I C -1.379 174.839 176.117 0.169 0.000 1.040 1736 I CA -0.723 60.585 61.300 0.013 0.000 1.068 1736 I CB 2.359 40.145 38.000 -0.356 0.000 1.251 1736 I HN 0.438 nan 8.210 nan 0.000 0.424 1737 F N 7.027 126.952 119.950 -0.042 0.000 2.458 1737 F HA 0.558 5.085 4.527 0.000 0.000 0.336 1737 F C -1.073 174.648 175.800 -0.132 0.000 1.114 1737 F CA -0.679 57.206 58.000 -0.192 0.000 0.987 1737 F CB 1.147 40.033 39.000 -0.190 0.000 1.130 1737 F HN 0.182 nan 8.300 nan 0.000 0.458 1738 L N 6.771 127.244 121.223 -1.248 0.000 2.297 1738 L HA 0.319 4.659 4.340 0.000 0.000 0.277 1738 L C 0.493 176.724 176.870 -1.066 0.000 1.040 1738 L CA -0.686 53.720 54.840 -0.722 0.000 0.867 1738 L CB 0.695 42.492 42.059 -0.437 0.000 1.244 1738 L HN 0.772 nan 8.230 nan 0.000 0.433 1739 S N 2.947 118.248 115.700 -0.665 0.000 2.612 1739 S HA 0.100 4.570 4.470 0.000 0.000 0.253 1739 S C 0.345 174.890 174.600 -0.092 0.000 1.346 1739 S CA -0.568 57.455 58.200 -0.295 0.000 0.976 1739 S CB 0.591 63.824 63.200 0.054 0.000 0.949 1739 S HN 0.733 nan 8.310 nan 0.000 0.584 1740 N N 0.477 119.154 118.700 -0.039 0.000 2.379 1740 N HA 0.600 5.340 4.740 0.000 0.000 0.260 1740 N C 0.054 175.560 175.510 -0.007 0.000 1.254 1740 N CA -0.091 52.923 53.050 -0.061 0.000 0.958 1740 N CB 0.579 39.038 38.487 -0.048 0.000 1.208 1740 N HN 1.080 nan 8.380 nan 0.000 0.532 1741 G N -1.094 107.681 108.800 -0.041 0.000 2.387 1741 G HA2 0.340 4.300 3.960 0.000 0.000 0.294 1741 G HA3 0.340 4.300 3.960 0.000 0.000 0.294 1741 G C -3.327 171.552 174.900 -0.035 0.000 1.509 1741 G CA -0.899 44.195 45.100 -0.009 0.000 0.806 1741 G HN 0.512 nan 8.290 nan 0.000 0.546 1742 P HA 0.486 nan 4.420 nan 0.000 0.272 1742 P C 1.014 178.330 177.300 0.026 0.000 1.240 1742 P CA 1.369 64.481 63.100 0.021 0.000 0.791 1742 P CB 0.825 32.561 31.700 0.061 0.000 0.978 1743 G N 0.582 109.433 108.800 0.084 0.000 2.697 1743 G HA2 -0.200 3.760 3.960 0.000 0.000 0.240 1743 G HA3 -0.200 3.760 3.960 0.000 0.000 0.240 1743 G C -0.710 174.110 174.900 -0.133 0.000 1.346 1743 G CA -0.181 44.965 45.100 0.077 0.000 0.887 1743 G HN 0.716 nan 8.290 nan 0.000 0.569 1744 D N 0.949 121.138 120.400 -0.350 0.000 2.383 1744 D HA 0.375 5.015 4.640 0.000 0.000 0.252 1744 D C -0.361 175.578 176.300 -0.601 0.000 1.166 1744 D CA -1.442 51.988 54.000 -0.950 0.000 0.879 1744 D CB 1.376 41.786 40.800 -0.651 0.000 1.164 1744 D HN 0.065 nan 8.370 nan 0.000 0.462 1745 P HA -0.005 nan 4.420 nan 0.000 0.224 1745 P C 1.050 178.095 177.300 -0.424 0.000 1.157 1745 P CA 0.555 63.363 63.100 -0.486 0.000 0.799 1745 P CB 0.152 31.578 31.700 -0.457 0.000 0.809 1746 A N 1.695 124.276 122.820 -0.398 0.000 1.903 1746 A HA -0.161 4.160 4.320 0.000 0.000 0.219 1746 A C -0.071 177.369 177.584 -0.241 0.000 1.191 1746 A CA 2.327 54.191 52.037 -0.288 0.000 0.638 1746 A CB -2.379 16.479 19.000 -0.237 0.000 0.823 1746 A HN 0.251 nan 8.150 nan 0.000 0.451 1747 P HA 0.032 nan 4.420 nan 0.000 0.229 1747 P C 0.261 177.469 177.300 -0.154 0.000 1.160 1747 P CA 0.480 63.494 63.100 -0.144 0.000 0.777 1747 P CB -0.500 31.145 31.700 -0.093 0.000 0.814 1748 C N 2.283 121.403 119.300 -0.301 0.000 3.479 1748 C HA 0.015 4.475 4.460 0.000 0.000 0.546 1748 C C 1.890 176.442 174.990 -0.730 0.000 1.207 1748 C CA -0.354 58.298 59.018 -0.610 0.000 1.334 1748 C CB -2.493 24.779 27.740 -0.780 0.000 1.611 1748 C HN 0.396 nan 8.230 nan 0.000 0.640 1749 D N 1.772 121.992 120.400 -0.300 0.000 2.200 1749 D HA -0.330 4.310 4.640 0.000 0.000 0.192 1749 D C 1.399 177.598 176.300 -0.169 0.000 1.008 1749 D CA 2.375 56.267 54.000 -0.180 0.000 0.872 1749 D CB -0.762 40.011 40.800 -0.045 0.000 0.923 1749 D HN 0.652 nan 8.370 nan 0.000 0.447 1750 Y N 0.163 120.433 120.300 -0.051 0.000 2.128 1750 Y HA 0.097 4.648 4.550 0.000 0.000 0.284 1750 Y C 2.816 178.690 175.900 -0.043 0.000 1.154 1750 Y CA 0.724 58.810 58.100 -0.025 0.000 1.149 1750 Y CB -1.366 37.113 38.460 0.032 0.000 0.976 1750 Y HN 0.130 nan 8.280 nan 0.000 0.505 1751 A N 1.550 124.061 122.820 -0.515 0.000 1.873 1751 A HA -0.084 4.237 4.320 0.000 0.000 0.215 1751 A C 2.326 179.710 177.584 -0.334 0.000 1.186 1751 A CA 1.915 53.742 52.037 -0.351 0.000 0.616 1751 A CB -1.171 17.485 19.000 -0.574 0.000 0.823 1751 A HN 0.564 nan 8.150 nan 0.000 0.442 1752 I N -0.419 119.927 120.570 -0.373 0.000 2.163 1752 I HA -0.263 3.907 4.170 0.000 0.000 0.243 1752 I C 2.606 178.589 176.117 -0.224 0.000 1.085 1752 I CA 1.919 63.047 61.300 -0.287 0.000 1.347 1752 I CB -1.013 36.823 38.000 -0.273 0.000 1.044 1752 I HN 0.256 nan 8.210 nan 0.000 0.408 1753 T N 0.870 115.311 114.554 -0.189 0.000 2.708 1753 T HA -0.154 4.196 4.350 0.000 0.000 0.266 1753 T C 2.090 176.653 174.700 -0.227 0.000 1.037 1753 T CA 1.540 63.544 62.100 -0.160 0.000 1.146 1753 T CB -0.351 68.458 68.868 -0.099 0.000 0.865 1753 T HN 0.496 nan 8.240 nan 0.000 0.435 1754 A N 1.265 123.931 122.820 -0.257 0.000 1.883 1754 A HA -0.070 4.250 4.320 0.000 0.000 0.217 1754 A C 2.289 179.433 177.584 -0.732 0.000 1.186 1754 A CA 1.439 53.196 52.037 -0.467 0.000 0.624 1754 A CB -0.888 17.928 19.000 -0.307 0.000 0.822 1754 A HN 0.532 nan 8.150 nan 0.000 0.444 1755 I N -0.524 119.808 120.570 -0.397 0.000 2.151 1755 I HA -0.373 3.797 4.170 0.000 0.000 0.243 1755 I C 2.803 178.820 176.117 -0.167 0.000 1.080 1755 I CA 1.889 63.078 61.300 -0.184 0.000 1.339 1755 I CB -0.620 37.303 38.000 -0.129 0.000 1.039 1755 I HN 0.447 nan 8.210 nan 0.000 0.409 1756 Q N 0.529 120.217 119.800 -0.186 0.000 2.152 1756 Q HA -0.282 4.058 4.340 0.000 0.000 0.206 1756 Q C 2.203 178.127 176.000 -0.128 0.000 0.985 1756 Q CA 1.658 57.384 55.803 -0.128 0.000 0.863 1756 Q CB -0.151 28.513 28.738 -0.123 0.000 0.904 1756 Q HN 0.336 nan 8.270 nan 0.000 0.422 1757 K N 0.004 120.257 120.400 -0.245 0.000 2.057 1757 K HA -0.138 4.182 4.320 0.000 0.000 0.207 1757 K C 1.581 178.087 176.600 -0.157 0.000 1.049 1757 K CA 1.322 57.453 56.287 -0.260 0.000 0.931 1757 K CB -0.062 32.194 32.500 -0.408 0.000 0.714 1757 K HN 0.085 nan 8.250 nan 0.000 0.440 1758 F N 0.559 120.496 119.950 -0.022 0.000 2.186 1758 F HA -0.046 4.482 4.527 0.000 0.000 0.299 1758 F C 1.661 177.453 175.800 -0.014 0.000 1.090 1758 F CA 0.783 58.774 58.000 -0.015 0.000 1.307 1758 F CB -0.582 38.398 39.000 -0.034 0.000 1.019 1758 F HN -0.051 nan 8.300 nan 0.000 0.489 1759 L N -0.313 120.999 121.223 0.149 0.000 2.549 1759 L HA -0.144 4.196 4.340 0.000 0.000 0.229 1759 L C 1.775 178.684 176.870 0.065 0.000 1.158 1759 L CA 0.936 55.827 54.840 0.084 0.000 0.842 1759 L CB -0.529 41.553 42.059 0.038 0.000 0.952 1759 L HN 0.212 nan 8.230 nan 0.000 0.452 1760 E N -0.874 119.363 120.200 0.063 0.000 2.385 1760 E HA -0.040 4.310 4.350 0.000 0.000 0.194 1760 E C 1.149 177.792 176.600 0.073 0.000 1.013 1760 E CA 0.495 56.925 56.400 0.051 0.000 0.866 1760 E CB 0.344 30.061 29.700 0.029 0.000 0.832 1760 E HN 0.468 nan 8.360 nan 0.000 0.500 1761 T N -1.898 112.717 114.554 0.102 0.000 2.892 1761 T HA 0.157 4.507 4.350 0.000 0.000 0.280 1761 T C 0.388 175.159 174.700 0.119 0.000 1.004 1761 T CA -0.766 61.406 62.100 0.121 0.000 0.950 1761 T CB 1.244 70.202 68.868 0.150 0.000 1.309 1761 T HN -0.283 nan 8.240 nan 0.000 0.592 1762 D N 0.331 120.828 120.400 0.162 0.000 2.424 1762 D HA 0.289 4.929 4.640 0.000 0.000 0.220 1762 D C 0.235 176.578 176.300 0.072 0.000 1.150 1762 D CA -0.062 54.047 54.000 0.183 0.000 0.831 1762 D CB 0.018 40.975 40.800 0.261 0.000 0.981 1762 D HN 0.531 nan 8.370 nan 0.000 0.500 1763 I N 2.313 122.806 120.570 -0.128 0.000 2.496 1763 I HA 0.136 4.306 4.170 0.000 0.000 0.285 1763 I C -2.151 173.786 176.117 -0.299 0.000 1.080 1763 I CA -1.693 59.276 61.300 -0.552 0.000 1.404 1763 I CB 0.413 38.155 38.000 -0.431 0.000 1.403 1763 I HN -0.402 nan 8.210 nan 0.000 0.539 1764 P HA 0.148 nan 4.420 nan 0.000 0.271 1764 P C -0.694 176.658 177.300 0.086 0.000 1.216 1764 P CA -0.037 63.011 63.100 -0.086 0.000 0.771 1764 P CB 0.835 32.436 31.700 -0.165 0.000 0.864 1765 V N 4.752 124.763 119.914 0.162 0.000 2.588 1765 V HA 0.510 4.630 4.120 0.000 0.000 0.304 1765 V C -0.820 175.327 176.094 0.088 0.000 1.042 1765 V CA -0.415 61.949 62.300 0.107 0.000 0.877 1765 V CB 1.563 33.388 31.823 0.003 0.000 0.996 1765 V HN 0.377 nan 8.190 nan 0.000 0.425 1766 F N 3.649 123.378 119.950 -0.369 0.000 2.579 1766 F HA 0.854 5.381 4.527 0.000 0.000 0.325 1766 F C 0.156 175.529 175.800 -0.712 0.000 1.162 1766 F CA -1.119 56.391 58.000 -0.818 0.000 0.946 1766 F CB 1.662 39.829 39.000 -1.389 0.000 1.211 1766 F HN 0.567 nan 8.300 nan 0.000 0.447 1767 G N 6.276 114.635 108.800 -0.734 0.000 2.448 1767 G HA2 0.690 4.650 3.960 0.000 0.000 0.324 1767 G HA3 0.690 4.650 3.960 0.000 0.000 0.324 1767 G C -1.193 173.226 174.900 -0.803 0.000 1.203 1767 G CA -0.653 43.956 45.100 -0.818 0.000 0.954 1767 G HN 0.682 nan 8.290 nan 0.000 0.480 1771 G N -0.677 107.911 108.800 -0.353 0.000 2.442 1771 G HA2 -0.361 3.599 3.960 0.000 0.000 0.219 1771 G HA3 -0.361 3.599 3.960 0.000 0.000 0.219 1771 G C 1.308 175.995 174.900 -0.355 0.000 1.141 1771 G CA 1.486 46.336 45.100 -0.416 0.000 0.763 1771 G HN 0.683 nan 8.290 nan 0.000 0.554 1772 H N 0.317 119.161 119.070 -0.376 0.000 2.357 1772 H HA 0.008 4.564 4.556 0.000 0.000 0.301 1772 H C 2.586 177.755 175.328 -0.265 0.000 1.082 1772 H CA 2.014 57.880 56.048 -0.303 0.000 1.342 1772 H CB -0.097 29.493 29.762 -0.286 0.000 1.389 1772 H HN 0.429 nan 8.280 nan 0.000 0.511 1773 Q N 0.086 119.656 119.800 -0.384 0.000 2.119 1773 Q HA -0.072 4.268 4.340 0.000 0.000 0.201 1773 Q C 2.512 178.281 176.000 -0.386 0.000 0.972 1773 Q CA 1.494 57.061 55.803 -0.393 0.000 0.847 1773 Q CB 0.044 28.616 28.738 -0.276 0.000 0.903 1773 Q HN 0.474 nan 8.270 nan 0.000 0.433 1774 L N 0.142 121.119 121.223 -0.409 0.000 2.017 1774 L HA -0.197 4.143 4.340 0.000 0.000 0.208 1774 L C 2.345 179.013 176.870 -0.336 0.000 1.073 1774 L CA 0.575 55.166 54.840 -0.416 0.000 0.745 1774 L CB -0.482 41.251 42.059 -0.543 0.000 0.894 1774 L HN 0.266 nan 8.230 nan 0.000 0.432 1775 L N 0.331 121.361 121.223 -0.322 0.000 2.012 1775 L HA -0.200 4.140 4.340 0.000 0.000 0.210 1775 L C 2.621 179.353 176.870 -0.230 0.000 1.073 1775 L CA 2.149 56.841 54.840 -0.247 0.000 0.748 1775 L CB -0.907 41.012 42.059 -0.234 0.000 0.891 1775 L HN 0.172 nan 8.230 nan 0.000 0.431 1776 A N -0.472 122.165 122.820 -0.304 0.000 1.883 1776 A HA -0.203 4.117 4.320 0.000 0.000 0.217 1776 A C 2.319 179.779 177.584 -0.207 0.000 1.186 1776 A CA 2.137 54.013 52.037 -0.269 0.000 0.624 1776 A CB -1.003 17.769 19.000 -0.380 0.000 0.822 1776 A HN 0.519 nan 8.150 nan 0.000 0.444 1777 L N -0.826 120.258 121.223 -0.232 0.000 2.012 1777 L HA -0.220 4.120 4.340 0.000 0.000 0.210 1777 L C 2.988 179.756 176.870 -0.170 0.000 1.073 1777 L CA 1.161 55.881 54.840 -0.199 0.000 0.748 1777 L CB -0.490 41.429 42.059 -0.233 0.000 0.891 1777 L HN 0.450 nan 8.230 nan 0.000 0.431 1778 A N -1.459 121.252 122.820 -0.181 0.000 2.172 1778 A HA -0.106 4.214 4.320 0.000 0.000 0.216 1778 A C 2.218 179.737 177.584 -0.109 0.000 1.154 1778 A CA 1.573 53.520 52.037 -0.150 0.000 0.701 1778 A CB -0.274 18.633 19.000 -0.155 0.000 0.789 1778 A HN 0.387 nan 8.150 nan 0.000 0.465 1779 S N -2.063 113.573 115.700 -0.106 0.000 2.540 1779 S HA 0.401 4.871 4.470 0.000 0.000 0.218 1779 S C 1.268 175.829 174.600 -0.065 0.000 0.977 1779 S CA 0.614 58.771 58.200 -0.072 0.000 0.918 1779 S CB 0.464 63.627 63.200 -0.063 0.000 0.806 1779 S HN 1.512 nan 8.310 nan 0.000 0.496 1780 G N 1.254 110.006 108.800 -0.080 0.000 2.163 1780 G HA2 -0.123 3.837 3.960 0.000 0.000 0.213 1780 G HA3 -0.123 3.837 3.960 0.000 0.000 0.213 1780 G C 0.198 175.057 174.900 -0.069 0.000 0.991 1780 G CA -0.091 44.969 45.100 -0.067 0.000 0.653 1780 G HN 0.761 nan 8.290 nan 0.000 0.518 1781 A N -0.349 122.419 122.820 -0.087 0.000 2.257 1781 A HA 0.825 5.145 4.320 0.000 0.000 0.290 1781 A C 0.438 177.968 177.584 -0.091 0.000 1.201 1781 A CA 0.062 52.049 52.037 -0.084 0.000 0.863 1781 A CB 0.702 19.640 19.000 -0.103 0.000 1.256 1781 A HN 0.321 nan 8.150 nan 0.000 0.506 1782 K N -0.131 120.221 120.400 -0.080 0.000 2.371 1782 K HA 0.521 4.841 4.320 0.000 0.000 0.251 1782 K C -0.894 175.663 176.600 -0.071 0.000 0.934 1782 K CA -0.410 55.832 56.287 -0.074 0.000 0.798 1782 K CB 2.102 34.573 32.500 -0.048 0.000 1.204 1782 K HN 0.878 nan 8.250 nan 0.000 0.427 1783 T N -1.519 112.991 114.554 -0.074 0.000 2.925 1783 T HA 0.647 4.997 4.350 0.000 0.000 0.285 1783 T C -0.045 174.672 174.700 0.029 0.000 1.021 1783 T CA -0.782 61.294 62.100 -0.041 0.000 1.042 1783 T CB 1.357 70.173 68.868 -0.088 0.000 1.037 1783 T HN 0.348 nan 8.240 nan 0.000 0.481 1784 V N -0.700 119.268 119.914 0.090 0.000 3.040 1784 V HA 0.714 4.834 4.120 0.000 0.000 0.312 1784 V C -0.622 175.585 176.094 0.188 0.000 1.115 1784 V CA -1.333 61.035 62.300 0.114 0.000 0.998 1784 V CB 1.898 33.742 31.823 0.035 0.000 1.042 1784 V HN 1.107 nan 8.190 nan 0.000 0.433 1785 K N 3.400 123.851 120.400 0.085 0.000 2.248 1785 K HA 0.549 4.869 4.320 0.000 0.000 0.281 1785 K C -0.129 176.324 176.600 -0.244 0.000 1.054 1785 K CA -0.551 55.578 56.287 -0.265 0.000 0.903 1785 K CB 1.090 33.392 32.500 -0.329 0.000 1.077 1785 K HN 0.844 nan 8.250 nan 0.000 0.474 1786 M N 3.000 122.403 119.600 -0.328 0.000 2.198 1786 M HA 0.013 4.493 4.480 0.000 0.000 0.315 1786 M C 1.587 177.751 176.300 -0.226 0.000 1.134 1786 M CA 0.392 55.526 55.300 -0.277 0.000 1.171 1786 M CB 0.609 32.970 32.600 -0.400 0.000 1.413 1786 M HN 0.610 nan 8.290 nan 0.000 0.467 1787 K N 1.068 121.354 120.400 -0.189 0.000 2.032 1787 K HA -0.183 4.137 4.320 0.000 0.000 0.209 1787 K C 0.988 177.622 176.600 0.057 0.000 1.048 1787 K CA 2.223 58.478 56.287 -0.053 0.000 0.927 1787 K CB 0.068 32.575 32.500 0.012 0.000 0.712 1787 K HN 0.712 nan 8.250 nan 0.000 0.441 1788 F N -3.189 116.722 119.950 -0.064 0.000 2.938 1788 F HA 0.428 4.955 4.527 0.000 0.000 0.370 1788 F C 0.468 176.206 175.800 -0.104 0.000 0.981 1788 F CA -0.025 57.948 58.000 -0.045 0.000 1.108 1788 F CB 0.245 39.278 39.000 0.056 0.000 1.086 1788 F HN 0.151 nan 8.300 nan 0.000 0.569 1789 G N 1.331 109.823 108.800 -0.512 0.000 2.693 1789 G HA2 -0.170 3.791 3.960 0.000 0.000 0.226 1789 G HA3 -0.170 3.791 3.960 0.000 0.000 0.226 1789 G C -1.188 173.283 174.900 -0.715 0.000 1.354 1789 G CA -0.221 44.443 45.100 -0.726 0.000 0.873 1789 G HN 0.829 nan 8.290 nan 0.000 0.562 1790 H N -0.046 118.391 119.070 -1.055 0.000 2.646 1790 H HA 0.614 5.170 4.556 0.000 0.000 0.328 1790 H C -0.838 173.957 175.328 -0.889 0.000 0.998 1790 H CA -0.662 54.960 56.048 -0.710 0.000 1.225 1790 H CB 1.396 30.887 29.762 -0.451 0.000 1.457 1790 H HN 0.654 nan 8.280 nan 0.000 0.505 1791 H N 2.078 121.191 119.070 0.071 0.000 3.172 1791 H HA 0.590 5.146 4.556 0.000 0.000 0.322 1791 H C -0.003 175.417 175.328 0.153 0.000 1.003 1791 H CA -0.676 55.431 56.048 0.098 0.000 1.466 1791 H CB 1.736 31.541 29.762 0.072 0.000 1.673 1791 H HN 0.958 nan 8.280 nan 0.000 0.512 1792 G N 0.108 109.066 108.800 0.263 0.000 2.320 1792 G HA2 0.421 4.381 3.960 0.000 0.000 0.296 1792 G HA3 0.421 4.381 3.960 0.000 0.000 0.296 1792 G C -0.303 174.721 174.900 0.206 0.000 1.306 1792 G CA -0.286 44.964 45.100 0.250 0.000 0.836 1792 G HN 0.680 nan 8.290 nan 0.000 0.517 1793 G N -0.642 108.267 108.800 0.182 0.000 3.969 1793 G HA2 0.376 4.336 3.960 0.000 0.000 0.291 1793 G HA3 0.376 4.336 3.960 0.000 0.000 0.291 1793 G C 0.366 175.340 174.900 0.124 0.000 1.016 1793 G CA 0.605 45.791 45.100 0.143 0.000 0.819 1793 G HN 0.985 nan 8.290 nan 0.000 0.493 1794 N N -0.861 117.927 118.700 0.147 0.000 2.299 1794 N HA 0.087 4.827 4.740 0.000 0.000 0.246 1794 N C -0.511 175.008 175.510 0.014 0.000 1.254 1794 N CA -0.641 52.471 53.050 0.104 0.000 0.879 1794 N CB -0.570 38.006 38.487 0.148 0.000 1.214 1794 N HN 0.345 nan 8.380 nan 0.000 0.510 1795 H N 2.341 121.333 119.070 -0.131 0.000 2.800 1795 H HA 0.267 4.823 4.556 0.000 0.000 0.291 1795 H C -2.254 172.801 175.328 -0.456 0.000 1.076 1795 H CA -1.454 54.322 56.048 -0.453 0.000 1.452 1795 H CB 1.063 30.657 29.762 -0.281 0.000 1.461 1795 H HN 0.117 nan 8.280 nan 0.000 0.488 1796 P HA 0.050 nan 4.420 nan 0.000 0.281 1796 P C -1.082 176.209 177.300 -0.016 0.000 1.252 1796 P CA -0.225 62.738 63.100 -0.229 0.000 0.778 1796 P CB 1.603 33.118 31.700 -0.307 0.000 0.895 1797 V N 3.969 123.920 119.914 0.061 0.000 2.638 1797 V HA 0.394 4.514 4.120 0.000 0.000 0.306 1797 V C 0.216 176.402 176.094 0.154 0.000 1.052 1797 V CA -0.738 61.638 62.300 0.125 0.000 0.885 1797 V CB 2.114 34.040 31.823 0.172 0.000 0.999 1797 V HN 0.462 nan 8.190 nan 0.000 0.424 1798 K N 2.546 123.037 120.400 0.152 0.000 2.159 1798 K HA 0.346 4.666 4.320 0.000 0.000 0.266 1798 K C -0.629 176.059 176.600 0.147 0.000 0.975 1798 K CA -0.600 55.763 56.287 0.126 0.000 0.865 1798 K CB 1.242 33.783 32.500 0.068 0.000 1.087 1798 K HN 0.765 nan 8.250 nan 0.000 0.446 1799 D N 4.564 125.015 120.400 0.087 0.000 2.352 1799 D HA -0.016 4.624 4.640 0.000 0.000 0.245 1799 D C 1.171 177.394 176.300 -0.128 0.000 1.224 1799 D CA -0.306 53.610 54.000 -0.140 0.000 0.879 1799 D CB 1.112 41.866 40.800 -0.077 0.000 1.057 1799 D HN 0.401 nan 8.370 nan 0.000 0.491 1800 V N 1.880 121.702 119.914 -0.153 0.000 2.626 1800 V HA -0.116 4.004 4.120 0.000 0.000 0.252 1800 V C 1.552 177.593 176.094 -0.087 0.000 1.067 1800 V CA 1.232 63.483 62.300 -0.082 0.000 1.081 1800 V CB -0.621 31.173 31.823 -0.048 0.000 0.686 1800 V HN 0.394 nan 8.190 nan 0.000 0.468 1801 E N 0.199 120.321 120.200 -0.130 0.000 2.427 1801 E HA 0.007 4.357 4.350 0.000 0.000 0.196 1801 E C 1.685 178.230 176.600 -0.092 0.000 1.028 1801 E CA 0.675 57.009 56.400 -0.111 0.000 0.864 1801 E CB 0.021 29.638 29.700 -0.138 0.000 0.813 1801 E HN 0.639 nan 8.360 nan 0.000 0.514 1802 K N -0.048 120.299 120.400 -0.088 0.000 2.438 1802 K HA 0.076 4.396 4.320 0.000 0.000 0.206 1802 K C -0.021 176.556 176.600 -0.039 0.000 1.081 1802 K CA -0.126 56.123 56.287 -0.062 0.000 1.053 1802 K CB 0.627 33.088 32.500 -0.064 0.000 0.908 1802 K HN -0.081 nan 8.250 nan 0.000 0.556 1803 N N 1.553 120.231 118.700 -0.037 0.000 2.714 1803 N HA -0.158 4.582 4.740 0.000 0.000 0.252 1803 N C -1.051 174.455 175.510 -0.006 0.000 1.014 1803 N CA 0.835 53.874 53.050 -0.018 0.000 0.735 1803 N CB -1.129 37.350 38.487 -0.014 0.000 0.924 1803 N HN 0.155 nan 8.380 nan 0.000 0.540 1804 V N -3.014 116.899 119.914 -0.001 0.000 2.876 1804 V HA 0.858 4.978 4.120 0.000 0.000 0.312 1804 V C 0.172 176.287 176.094 0.035 0.000 1.085 1804 V CA -0.959 61.349 62.300 0.013 0.000 0.945 1804 V CB 2.386 34.214 31.823 0.008 0.000 1.017 1804 V HN -0.061 nan 8.190 nan 0.000 0.428 1805 V N 5.085 125.019 119.914 0.034 0.000 2.472 1805 V HA 0.642 4.762 4.120 0.000 0.000 0.290 1805 V C 0.131 176.251 176.094 0.043 0.000 1.037 1805 V CA -0.343 61.982 62.300 0.041 0.000 0.908 1805 V CB 1.461 33.299 31.823 0.025 0.000 0.985 1805 V HN 0.995 nan 8.190 nan 0.000 0.454 1806 M N 5.169 124.803 119.600 0.057 0.000 2.464 1806 M HA 0.626 5.106 4.480 0.000 0.000 0.308 1806 M C -1.268 175.059 176.300 0.046 0.000 1.127 1806 M CA -0.697 54.634 55.300 0.052 0.000 0.913 1806 M CB 2.358 34.990 32.600 0.054 0.000 1.689 1806 M HN 0.228 nan 8.290 nan 0.000 0.445 1807 I N 2.649 123.242 120.570 0.039 0.000 2.342 1807 I HA 0.476 4.646 4.170 0.000 0.000 0.291 1807 I C 0.431 176.588 176.117 0.067 0.000 1.010 1807 I CA 0.024 61.341 61.300 0.030 0.000 1.308 1807 I CB 0.867 38.880 38.000 0.021 0.000 1.400 1807 I HN 0.877 nan 8.210 nan 0.000 0.488 1808 T N 2.096 116.698 114.554 0.080 0.000 2.838 1808 T HA 0.822 5.172 4.350 0.000 0.000 0.292 1808 T C -0.442 174.325 174.700 0.112 0.000 1.113 1808 T CA -0.943 61.227 62.100 0.116 0.000 1.008 1808 T CB 2.060 71.022 68.868 0.156 0.000 1.259 1808 T HN 0.644 nan 8.240 nan 0.000 0.520 1809 A N 1.472 124.368 122.820 0.126 0.000 2.301 1809 A HA 0.686 5.006 4.320 0.000 0.000 0.298 1809 A C -0.214 177.418 177.584 0.080 0.000 1.185 1809 A CA -0.616 51.493 52.037 0.120 0.000 0.830 1809 A CB 0.395 19.475 19.000 0.132 0.000 1.112 1809 A HN 0.670 nan 8.150 nan 0.000 0.508 1810 Q N 1.195 121.043 119.800 0.080 0.000 2.394 1810 Q HA 0.467 4.807 4.340 0.000 0.000 0.273 1810 Q C -1.379 174.664 176.000 0.072 0.000 1.089 1810 Q CA -0.632 55.202 55.803 0.051 0.000 0.812 1810 Q CB 2.251 30.999 28.738 0.016 0.000 1.353 1810 Q HN 0.775 nan 8.270 nan 0.000 0.438 1811 N N 1.539 120.263 118.700 0.039 0.000 2.976 1811 N HA 0.120 4.860 4.740 0.000 0.000 0.220 1811 N C -2.133 173.353 175.510 -0.041 0.000 1.428 1811 N CA -0.199 52.848 53.050 -0.006 0.000 0.748 1811 N CB 0.204 38.678 38.487 -0.022 0.000 1.484 1811 N HN 0.769 nan 8.380 nan 0.000 0.578 1812 H N -1.608 117.277 119.070 -0.309 0.000 3.079 1812 H HA 0.614 5.170 4.556 0.000 0.000 0.356 1812 H C 0.135 175.285 175.328 -0.298 0.000 1.221 1812 H CA -0.912 55.001 56.048 -0.226 0.000 1.185 1812 H CB 1.247 30.882 29.762 -0.210 0.000 1.882 1812 H HN 0.117 nan 8.280 nan 0.000 0.543 1813 G N 1.141 109.862 108.800 -0.132 0.000 3.192 1813 G HA2 0.246 4.206 3.960 0.000 0.000 0.239 1813 G HA3 0.246 4.206 3.960 0.000 0.000 0.239 1813 G C -0.768 173.845 174.900 -0.479 0.000 1.084 1813 G CA -0.021 44.891 45.100 -0.313 0.000 0.784 1813 G HN 0.340 nan 8.290 nan 0.000 0.540 1814 F N 0.010 119.951 119.950 -0.014 0.000 2.598 1814 F HA 0.807 5.334 4.527 0.000 0.000 0.327 1814 F C 0.298 176.118 175.800 0.033 0.000 1.057 1814 F CA -0.880 57.109 58.000 -0.018 0.000 0.957 1814 F CB 2.395 41.368 39.000 -0.045 0.000 1.278 1814 F HN 0.091 nan 8.300 nan 0.000 0.484 1815 A N 0.283 123.203 122.820 0.166 0.000 2.593 1815 A HA 0.787 5.107 4.320 0.000 0.000 0.290 1815 A C -1.885 175.718 177.584 0.031 0.000 1.126 1815 A CA -0.757 51.317 52.037 0.062 0.000 0.695 1815 A CB 1.220 20.235 19.000 0.026 0.000 1.290 1815 A HN 0.436 nan 8.150 nan 0.000 0.414 1816 V N 1.790 121.712 119.914 0.014 0.000 2.432 1816 V HA 0.265 4.385 4.120 0.000 0.000 0.275 1816 V C -0.201 175.892 176.094 -0.002 0.000 1.043 1816 V CA -0.304 61.981 62.300 -0.026 0.000 0.925 1816 V CB 1.278 33.050 31.823 -0.084 0.000 0.985 1816 V HN 0.859 nan 8.190 nan 0.000 0.466 1817 D N 3.304 123.696 120.400 -0.013 0.000 2.371 1817 D HA 0.038 4.678 4.640 0.000 0.000 0.256 1817 D C 1.072 177.373 176.300 0.001 0.000 1.193 1817 D CA 0.285 54.283 54.000 -0.002 0.000 0.881 1817 D CB 1.141 41.937 40.800 -0.007 0.000 1.143 1817 D HN 0.726 nan 8.370 nan 0.000 0.473 1818 E N 3.083 123.292 120.200 0.016 0.000 2.077 1818 E HA -0.220 4.130 4.350 0.000 0.000 0.193 1818 E C 1.719 178.327 176.600 0.013 0.000 0.989 1818 E CA 1.030 57.443 56.400 0.022 0.000 0.800 1818 E CB 0.057 29.777 29.700 0.033 0.000 0.746 1818 E HN 0.606 nan 8.360 nan 0.000 0.452 1819 A N 0.392 123.218 122.820 0.010 0.000 1.986 1819 A HA -0.197 4.123 4.320 0.000 0.000 0.220 1819 A C 2.284 179.868 177.584 -0.000 0.000 1.171 1819 A CA 2.205 54.246 52.037 0.006 0.000 0.640 1819 A CB -0.881 18.123 19.000 0.007 0.000 0.811 1819 A HN 0.470 nan 8.150 nan 0.000 0.451 1820 T N -3.204 111.346 114.554 -0.006 0.000 3.122 1820 T HA 0.394 4.744 4.350 0.000 0.000 0.250 1820 T C 0.267 174.957 174.700 -0.017 0.000 1.067 1820 T CA -0.430 61.662 62.100 -0.013 0.000 0.966 1820 T CB -0.425 68.431 68.868 -0.020 0.000 1.002 1820 T HN 0.015 nan 8.240 nan 0.000 0.542 1821 L N 4.493 125.710 121.223 -0.011 0.000 2.628 1821 L HA 0.249 4.589 4.340 0.000 0.000 0.274 1821 L C -1.695 175.170 176.870 -0.008 0.000 1.209 1821 L CA -1.531 53.303 54.840 -0.010 0.000 0.930 1821 L CB -0.059 42.004 42.059 0.006 0.000 1.183 1821 L HN 0.182 nan 8.230 nan 0.000 0.492 1822 P HA 0.052 nan 4.420 nan 0.000 0.271 1822 P C 0.150 177.451 177.300 0.001 0.000 1.233 1822 P CA -0.215 62.879 63.100 -0.010 0.000 0.789 1822 P CB 0.593 32.284 31.700 -0.015 0.000 0.951 1823 A N 2.306 125.127 122.820 0.003 0.000 2.024 1823 A HA -0.221 4.099 4.320 0.000 0.000 0.220 1823 A C 1.697 179.291 177.584 0.016 0.000 1.164 1823 A CA 1.873 53.916 52.037 0.008 0.000 0.643 1823 A CB -1.592 17.411 19.000 0.005 0.000 0.806 1823 A HN 0.818 nan 8.150 nan 0.000 0.451 1824 N N -1.181 117.530 118.700 0.019 0.000 2.521 1824 N HA 0.141 4.881 4.740 0.000 0.000 0.188 1824 N C -0.008 175.534 175.510 0.053 0.000 1.146 1824 N CA -0.098 52.971 53.050 0.033 0.000 0.893 1824 N CB -0.064 38.441 38.487 0.030 0.000 0.975 1824 N HN 0.398 nan 8.380 nan 0.000 0.451 1825 L N 2.173 123.424 121.223 0.046 0.000 2.280 1825 L HA 0.346 4.686 4.340 0.000 0.000 0.287 1825 L C -0.130 176.784 176.870 0.073 0.000 1.023 1825 L CA -0.984 53.896 54.840 0.067 0.000 0.819 1825 L CB 1.250 43.332 42.059 0.038 0.000 1.212 1825 L HN 0.264 nan 8.230 nan 0.000 0.420 1826 R N 3.394 123.956 120.500 0.104 0.000 2.407 1826 R HA 0.548 4.888 4.340 0.000 0.000 0.303 1826 R C -1.137 175.227 176.300 0.107 0.000 0.981 1826 R CA -0.724 55.424 56.100 0.079 0.000 0.905 1826 R CB 1.584 31.911 30.300 0.045 0.000 1.099 1826 R HN 0.270 nan 8.270 nan 0.000 0.459 1827 V N 3.911 123.873 119.914 0.079 0.000 2.485 1827 V HA -0.004 4.116 4.120 0.000 0.000 0.287 1827 V C 1.427 177.561 176.094 0.067 0.000 1.022 1827 V CA 0.772 63.127 62.300 0.092 0.000 1.067 1827 V CB 0.845 32.707 31.823 0.066 0.000 0.967 1827 V HN 1.105 nan 8.190 nan 0.000 0.479 1828 T N 0.993 115.613 114.554 0.109 0.000 2.990 1828 T HA 0.226 4.576 4.350 0.000 0.000 0.249 1828 T C 0.377 174.896 174.700 -0.301 0.000 1.039 1828 T CA 0.202 62.276 62.100 -0.044 0.000 1.036 1828 T CB 0.127 69.033 68.868 0.064 0.000 0.994 1828 T HN 0.689 nan 8.240 nan 0.000 0.489 1829 H N -0.259 118.890 119.070 0.133 0.000 3.046 1829 H HA 0.757 5.313 4.556 0.000 0.000 0.361 1829 H C -1.216 174.163 175.328 0.085 0.000 1.235 1829 H CA -0.903 55.223 56.048 0.131 0.000 1.146 1829 H CB 1.774 31.684 29.762 0.246 0.000 1.859 1829 H HN 0.075 nan 8.280 nan 0.000 0.548 1830 K N 0.347 120.875 120.400 0.213 0.000 2.512 1830 K HA 0.526 4.847 4.320 0.000 0.000 0.263 1830 K C -0.769 175.903 176.600 0.120 0.000 0.966 1830 K CA -1.031 55.334 56.287 0.129 0.000 0.851 1830 K CB 2.919 35.478 32.500 0.099 0.000 1.395 1830 K HN 0.472 nan 8.250 nan 0.000 0.440 1831 S N 1.324 117.094 115.700 0.116 0.000 2.545 1831 S HA 0.150 4.620 4.470 0.000 0.000 0.275 1831 S C 0.655 175.339 174.600 0.141 0.000 1.299 1831 S CA -0.527 57.772 58.200 0.166 0.000 1.048 1831 S CB 0.372 63.761 63.200 0.314 0.000 0.938 1831 S HN 0.480 nan 8.310 nan 0.000 0.496 1832 L N 4.977 126.244 121.223 0.074 0.000 2.509 1832 L HA 0.303 4.644 4.340 0.000 0.000 0.222 1832 L C 1.360 178.320 176.870 0.149 0.000 1.123 1832 L CA 0.932 55.808 54.840 0.059 0.000 0.856 1832 L CB -0.960 41.099 42.059 0.001 0.000 0.985 1832 L HN 0.686 nan 8.230 nan 0.000 0.456 1833 F N 0.352 120.261 119.950 -0.069 0.000 2.387 1833 F HA 0.000 4.527 4.527 0.000 0.000 0.294 1833 F C 1.490 177.275 175.800 -0.025 0.000 1.093 1833 F CA 0.843 58.762 58.000 -0.136 0.000 1.420 1833 F CB -0.131 38.620 39.000 -0.415 0.000 1.086 1833 F HN 0.351 nan 8.300 nan 0.000 0.531 1834 D N -3.551 116.997 120.400 0.247 0.000 2.523 1834 D HA 0.195 4.835 4.640 0.000 0.000 0.269 1834 D C 1.455 177.842 176.300 0.146 0.000 1.374 1834 D CA 0.720 54.826 54.000 0.177 0.000 0.820 1834 D CB -0.279 40.631 40.800 0.182 0.000 1.211 1834 D HN 0.189 nan 8.370 nan 0.000 0.502 1835 G N 0.806 109.696 108.800 0.149 0.000 2.189 1835 G HA2 -0.310 3.650 3.960 0.000 0.000 0.267 1835 G HA3 -0.310 3.650 3.960 0.000 0.000 0.267 1835 G C 0.622 175.590 174.900 0.113 0.000 0.975 1835 G CA 0.860 46.029 45.100 0.114 0.000 0.644 1835 G HN 0.948 nan 8.290 nan 0.000 0.537 1836 T N -1.265 113.379 114.554 0.150 0.000 2.855 1836 T HA 0.500 4.850 4.350 0.000 0.000 0.314 1836 T C 0.680 175.436 174.700 0.094 0.000 1.077 1836 T CA -0.146 62.028 62.100 0.124 0.000 1.095 1836 T CB 1.717 70.675 68.868 0.149 0.000 0.987 1836 T HN 1.034 nan 8.240 nan 0.000 0.546 1837 L N 2.133 123.395 121.223 0.064 0.000 2.455 1837 L HA 0.214 4.554 4.340 0.000 0.000 0.272 1837 L C 1.051 177.901 176.870 -0.032 0.000 1.174 1837 L CA 0.626 55.501 54.840 0.057 0.000 0.869 1837 L CB 0.217 42.327 42.059 0.085 0.000 1.130 1837 L HN 0.758 nan 8.230 nan 0.000 0.474 1838 Q N 3.561 123.328 119.800 -0.055 0.000 2.245 1838 Q HA 0.381 4.722 4.340 0.000 0.000 0.250 1838 Q C 0.182 175.975 176.000 -0.345 0.000 0.830 1838 Q CA 0.529 56.136 55.803 -0.327 0.000 0.950 1838 Q CB 1.516 30.098 28.738 -0.259 0.000 1.124 1838 Q HN 0.829 nan 8.270 nan 0.000 0.502 1839 G N 1.302 110.174 108.800 0.120 0.000 2.733 1839 G HA2 0.647 4.607 3.960 0.000 0.000 0.297 1839 G HA3 0.647 4.607 3.960 0.000 0.000 0.297 1839 G C -1.131 174.019 174.900 0.417 0.000 1.422 1839 G CA -0.553 44.782 45.100 0.392 0.000 0.942 1839 G HN 0.098 nan 8.290 nan 0.000 0.510 1840 I N -1.508 119.327 120.570 0.442 0.000 3.006 1840 I HA 0.738 4.908 4.170 0.000 0.000 0.306 1840 I C -1.698 174.649 176.117 0.383 0.000 1.250 1840 I CA -1.190 60.309 61.300 0.331 0.000 0.996 1840 I CB 2.982 41.108 38.000 0.210 0.000 1.261 1840 I HN 0.562 nan 8.210 nan 0.000 0.442 1841 H N 2.938 122.142 119.070 0.224 0.000 2.947 1841 H HA 0.468 5.024 4.556 0.000 0.000 0.354 1841 H C -1.184 174.228 175.328 0.140 0.000 1.085 1841 H CA -0.742 55.447 56.048 0.234 0.000 1.253 1841 H CB 2.381 32.260 29.762 0.195 0.000 1.757 1841 H HN 0.555 nan 8.280 nan 0.000 0.523 1842 R N 2.237 122.990 120.500 0.421 0.000 2.421 1842 R HA 0.018 4.358 4.340 0.000 0.000 0.305 1842 R C 1.313 177.807 176.300 0.322 0.000 1.039 1842 R CA 0.548 56.816 56.100 0.279 0.000 1.003 1842 R CB 0.348 30.755 30.300 0.178 0.000 0.959 1842 R HN 0.840 nan 8.270 nan 0.000 0.427 1843 T N -1.317 113.331 114.554 0.156 0.000 2.833 1843 T HA -0.168 4.183 4.350 0.000 0.000 0.269 1843 T C 1.000 175.737 174.700 0.062 0.000 1.054 1843 T CA 1.511 63.654 62.100 0.071 0.000 1.135 1843 T CB 0.037 68.930 68.868 0.040 0.000 0.869 1843 T HN 0.596 nan 8.240 nan 0.000 0.466 1844 D N 0.036 120.485 120.400 0.081 0.000 2.392 1844 D HA 0.134 4.774 4.640 0.000 0.000 0.206 1844 D C 0.757 177.111 176.300 0.089 0.000 1.046 1844 D CA 0.118 54.159 54.000 0.068 0.000 0.865 1844 D CB 0.202 41.033 40.800 0.052 0.000 0.969 1844 D HN 0.279 nan 8.370 nan 0.000 0.509 1845 K N 0.387 120.862 120.400 0.126 0.000 2.400 1845 K HA 0.380 4.700 4.320 0.000 0.000 0.246 1845 K C -2.714 173.999 176.600 0.190 0.000 0.995 1845 K CA -1.862 54.502 56.287 0.128 0.000 0.840 1845 K CB 2.438 34.996 32.500 0.097 0.000 1.293 1845 K HN -0.202 nan 8.250 nan 0.000 0.445 1846 P HA 0.215 nan 4.420 nan 0.000 0.214 1846 P C -1.299 176.062 177.300 0.101 0.000 1.826 1846 P CA -0.148 63.044 63.100 0.152 0.000 0.977 1846 P CB -0.016 31.734 31.700 0.083 0.000 1.930 1847 A N 2.312 125.170 122.820 0.064 0.000 2.359 1847 A HA 0.803 5.123 4.320 0.000 0.000 0.303 1847 A C -0.952 176.599 177.584 -0.055 0.000 1.066 1847 A CA -0.529 51.534 52.037 0.043 0.000 0.730 1847 A CB 1.300 20.323 19.000 0.038 0.000 1.211 1847 A HN 0.265 nan 8.150 nan 0.000 0.439 1848 F N 0.397 120.193 119.950 -0.256 0.000 2.686 1848 F HA 0.888 5.415 4.527 0.000 0.000 0.311 1848 F C -0.473 175.395 175.800 0.113 0.000 1.128 1848 F CA -0.642 57.244 58.000 -0.191 0.000 0.946 1848 F CB 1.212 39.983 39.000 -0.380 0.000 1.336 1848 F HN 1.029 nan 8.300 nan 0.000 0.457 1849 S N 1.278 117.014 115.700 0.060 0.000 2.588 1849 S HA 0.805 5.275 4.470 0.000 0.000 0.269 1849 S C -2.255 172.544 174.600 0.331 0.000 1.157 1849 S CA -0.629 57.605 58.200 0.056 0.000 0.824 1849 S CB 1.989 65.202 63.200 0.021 0.000 1.126 1849 S HN 1.185 nan 8.310 nan 0.000 0.464 1850 F N 1.687 121.593 119.950 -0.073 0.000 2.529 1850 F HA 0.593 5.120 4.527 0.000 0.000 0.320 1850 F C 0.984 176.457 175.800 -0.545 0.000 1.118 1850 F CA -0.874 56.951 58.000 -0.292 0.000 0.915 1850 F CB 2.496 41.393 39.000 -0.171 0.000 1.161 1850 F HN 0.836 nan 8.300 nan 0.000 0.445 1851 Q N 3.644 122.567 119.800 -1.462 0.000 2.172 1851 Q HA 0.194 4.534 4.340 0.000 0.000 0.200 1851 Q C 0.987 176.411 176.000 -0.959 0.000 0.964 1851 Q CA 1.398 56.460 55.803 -1.235 0.000 0.855 1851 Q CB -0.325 27.672 28.738 -1.237 0.000 0.918 1851 Q HN 0.857 nan 8.270 nan 0.000 0.444 1852 G N -0.291 107.731 108.800 -1.296 0.000 2.553 1852 G HA2 0.232 4.192 3.960 0.000 0.000 0.278 1852 G HA3 0.232 4.192 3.960 0.000 0.000 0.278 1852 G C -0.910 173.921 174.900 -0.115 0.000 1.349 1852 G CA -0.638 44.086 45.100 -0.626 0.000 1.037 1852 G HN 0.366 nan 8.290 nan 0.000 0.508 1853 N N 0.710 119.472 118.700 0.104 0.000 2.626 1853 N HA 0.340 5.080 4.740 0.000 0.000 0.242 1853 N C -1.956 173.696 175.510 0.235 0.000 1.005 1853 N CA -1.298 51.843 53.050 0.150 0.000 0.905 1853 N CB 2.590 41.133 38.487 0.093 0.000 1.128 1853 N HN 0.115 nan 8.380 nan 0.000 0.512 1854 P HA -0.228 nan 4.420 nan 0.000 0.218 1854 P C 1.140 178.666 177.300 0.376 0.000 1.148 1854 P CA 1.183 64.437 63.100 0.256 0.000 0.822 1854 P CB 0.312 32.080 31.700 0.113 0.000 0.784 1855 E N 0.102 120.541 120.200 0.398 0.000 2.418 1855 E HA -0.063 4.288 4.350 0.000 0.000 0.197 1855 E C 1.154 177.828 176.600 0.124 0.000 1.026 1855 E CA 1.021 57.561 56.400 0.233 0.000 0.862 1855 E CB -0.784 29.033 29.700 0.195 0.000 0.799 1855 E HN 0.094 nan 8.360 nan 0.000 0.518 1856 A N 0.994 123.909 122.820 0.157 0.000 5.308 1856 A HA -0.354 3.966 4.320 0.000 0.000 0.321 1856 A C 0.961 178.610 177.584 0.110 0.000 1.849 1856 A CA 2.456 54.582 52.037 0.147 0.000 0.713 1856 A CB -1.986 17.135 19.000 0.201 0.000 1.360 1856 A HN 0.872 nan 8.150 nan 0.000 0.384 1857 S N -0.226 115.535 115.700 0.102 0.000 3.477 1857 S HA -0.051 4.419 4.470 0.000 0.000 0.426 1857 S C -1.980 172.655 174.600 0.057 0.000 0.874 1857 S CA 0.937 59.170 58.200 0.055 0.000 1.341 1857 S CB -0.951 62.266 63.200 0.029 0.000 0.917 1857 S HN 1.031 nan 8.310 nan 0.000 0.607 1858 P HA 0.761 nan 4.420 nan 0.000 0.283 1858 P C 0.472 177.831 177.300 0.097 0.000 1.271 1858 P CA 0.430 63.565 63.100 0.057 0.000 0.841 1858 P CB 1.387 33.109 31.700 0.036 0.000 1.122 1859 G N 0.011 108.868 108.800 0.095 0.000 2.355 1859 G HA2 0.109 4.070 3.960 0.000 0.000 0.619 1859 G HA3 0.109 4.070 3.960 0.000 0.000 0.619 1859 G C -3.282 171.696 174.900 0.130 0.000 1.337 1859 G CA -0.955 44.209 45.100 0.107 0.000 0.993 1859 G HN 0.464 nan 8.290 nan 0.000 0.599 1860 P HA 0.215 nan 4.420 nan 0.000 0.267 1860 P C 0.238 177.682 177.300 0.239 0.000 1.200 1860 P CA 0.160 63.305 63.100 0.076 0.000 0.772 1860 P CB 0.112 31.853 31.700 0.068 0.000 0.855 1861 H N -0.108 118.999 119.070 0.062 0.000 2.533 1861 H HA -0.012 4.544 4.556 0.000 0.000 0.271 1861 H C 0.693 176.059 175.328 0.063 0.000 1.000 1861 H CA -0.208 55.881 56.048 0.067 0.000 1.149 1861 H CB 0.152 29.951 29.762 0.063 0.000 1.375 1861 H HN 0.423 nan 8.280 nan 0.000 0.582 1862 D N 1.656 122.160 120.400 0.174 0.000 2.149 1862 D HA -0.183 4.457 4.640 0.000 0.000 0.194 1862 D C 1.996 178.335 176.300 0.066 0.000 1.001 1862 D CA 1.437 55.498 54.000 0.102 0.000 0.849 1862 D CB -0.085 40.760 40.800 0.074 0.000 0.939 1862 D HN 0.434 nan 8.370 nan 0.000 0.449 1863 A N -0.106 122.746 122.820 0.054 0.000 2.307 1863 A HA 0.451 4.771 4.320 0.000 0.000 0.218 1863 A C 2.054 179.650 177.584 0.020 0.000 1.228 1863 A CA 0.862 52.864 52.037 -0.057 0.000 0.857 1863 A CB -0.237 18.648 19.000 -0.192 0.000 0.897 1863 A HN 0.157 nan 8.150 nan 0.000 0.495 1864 A N 1.628 124.525 122.820 0.128 0.000 1.958 1864 A HA -0.118 4.202 4.320 0.000 0.000 0.221 1864 A C 0.040 177.786 177.584 0.270 0.000 1.178 1864 A CA 1.996 54.173 52.037 0.234 0.000 0.642 1864 A CB -1.488 17.580 19.000 0.112 0.000 0.816 1864 A HN 0.446 nan 8.150 nan 0.000 0.453 1865 P HA -0.128 nan 4.420 nan 0.000 0.221 1865 P C 1.253 178.603 177.300 0.083 0.000 1.145 1865 P CA 0.733 63.892 63.100 0.098 0.000 0.795 1865 P CB -0.186 31.537 31.700 0.037 0.000 0.775 1866 L N -2.484 118.748 121.223 0.015 0.000 2.127 1866 L HA -0.167 4.173 4.340 0.000 0.000 0.211 1866 L C 2.268 179.092 176.870 -0.076 0.000 1.089 1866 L CA 1.600 56.409 54.840 -0.052 0.000 0.757 1866 L CB -1.091 40.866 42.059 -0.171 0.000 0.899 1866 L HN -0.104 nan 8.230 nan 0.000 0.434 1867 F N -0.007 119.986 119.950 0.071 0.000 2.171 1867 F HA -0.233 4.294 4.527 0.000 0.000 0.300 1867 F C 2.329 178.193 175.800 0.106 0.000 1.090 1867 F CA 1.434 59.511 58.000 0.127 0.000 1.293 1867 F CB -0.511 38.578 39.000 0.149 0.000 1.013 1867 F HN 0.185 nan 8.300 nan 0.000 0.486 1868 D N -1.383 119.174 120.400 0.262 0.000 2.178 1868 D HA -0.215 4.425 4.640 0.000 0.000 0.201 1868 D C 1.971 178.339 176.300 0.114 0.000 0.980 1868 D CA 1.363 55.459 54.000 0.159 0.000 0.842 1868 D CB -0.635 40.230 40.800 0.108 0.000 0.948 1868 D HN 0.322 nan 8.370 nan 0.000 0.472 1869 H N 0.223 119.254 119.070 -0.064 0.000 2.421 1869 H HA -0.130 4.426 4.556 0.000 0.000 0.298 1869 H C 1.755 177.007 175.328 -0.126 0.000 1.087 1869 H CA 0.896 56.827 56.048 -0.194 0.000 1.330 1869 H CB -0.555 28.918 29.762 -0.482 0.000 1.388 1869 H HN 0.056 nan 8.280 nan 0.000 0.526 1870 F N 0.734 120.565 119.950 -0.199 0.000 2.075 1870 F HA -0.157 4.370 4.527 0.000 0.000 0.297 1870 F C 2.129 177.833 175.800 -0.160 0.000 1.113 1870 F CA 1.093 58.996 58.000 -0.161 0.000 1.218 1870 F CB -0.534 38.394 39.000 -0.121 0.000 0.984 1870 F HN 0.116 nan 8.300 nan 0.000 0.472 1871 I N 0.610 121.084 120.570 -0.159 0.000 2.208 1871 I HA -0.293 3.878 4.170 0.000 0.000 0.245 1871 I C 2.395 178.290 176.117 -0.370 0.000 1.097 1871 I CA 1.439 62.515 61.300 -0.374 0.000 1.363 1871 I CB -1.580 36.321 38.000 -0.166 0.000 1.051 1871 I HN 0.309 nan 8.210 nan 0.000 0.413 1872 E N 0.689 120.776 120.200 -0.187 0.000 2.049 1872 E HA -0.234 4.116 4.350 0.000 0.000 0.198 1872 E C 2.455 178.956 176.600 -0.164 0.000 1.007 1872 E CA 1.280 57.610 56.400 -0.118 0.000 0.809 1872 E CB -0.133 29.566 29.700 -0.002 0.000 0.749 1872 E HN 0.417 nan 8.360 nan 0.000 0.450 1873 L N 0.520 121.598 121.223 -0.241 0.000 2.042 1873 L HA -0.228 4.112 4.340 0.000 0.000 0.210 1873 L C 2.519 179.256 176.870 -0.222 0.000 1.076 1873 L CA 0.970 55.677 54.840 -0.222 0.000 0.749 1873 L CB -0.381 41.508 42.059 -0.283 0.000 0.893 1873 L HN 0.239 nan 8.230 nan 0.000 0.432 1874 I N -0.136 120.189 120.570 -0.408 0.000 2.127 1874 I HA -0.324 3.846 4.170 0.000 0.000 0.241 1874 I C 2.435 178.410 176.117 -0.237 0.000 1.075 1874 I CA 1.546 62.584 61.300 -0.436 0.000 1.334 1874 I CB -0.252 37.276 38.000 -0.787 0.000 1.040 1874 I HN 0.294 nan 8.210 nan 0.000 0.405 1875 E N 0.106 120.130 120.200 -0.294 0.000 2.153 1875 E HA -0.305 4.045 4.350 0.000 0.000 0.194 1875 E C 2.088 178.681 176.600 -0.012 0.000 0.988 1875 E CA 1.156 57.493 56.400 -0.106 0.000 0.811 1875 E CB -0.149 29.512 29.700 -0.064 0.000 0.746 1875 E HN 0.539 nan 8.360 nan 0.000 0.466 1876 Q N 0.332 120.118 119.800 -0.024 0.000 2.119 1876 Q HA -0.236 4.104 4.340 0.000 0.000 0.201 1876 Q C 2.009 178.041 176.000 0.053 0.000 0.972 1876 Q CA 1.292 57.103 55.803 0.013 0.000 0.847 1876 Q CB -0.290 28.453 28.738 0.008 0.000 0.903 1876 Q HN 0.401 nan 8.270 nan 0.000 0.433 1877 Y N 0.806 121.066 120.300 -0.067 0.000 2.333 1877 Y HA -0.096 4.454 4.550 0.000 0.000 0.290 1877 Y C 1.790 177.678 175.900 -0.020 0.000 1.144 1877 Y CA 1.595 59.669 58.100 -0.043 0.000 1.228 1877 Y CB 0.107 38.527 38.460 -0.066 0.000 0.985 1877 Y HN 0.048 nan 8.280 nan 0.000 0.542 1878 R N 0.053 120.562 120.500 0.015 0.000 2.153 1878 R HA -0.056 4.285 4.340 0.000 0.000 0.218 1878 R C 2.203 178.471 176.300 -0.052 0.000 1.072 1878 R CA 1.022 57.105 56.100 -0.027 0.000 0.990 1878 R CB -0.121 30.240 30.300 0.102 0.000 0.889 1878 R HN 0.249 nan 8.270 nan 0.000 0.452 1879 K N 0.055 120.437 120.400 -0.030 0.000 2.211 1879 K HA -0.053 4.267 4.320 0.000 0.000 0.204 1879 K C 0.588 177.153 176.600 -0.058 0.000 1.047 1879 K CA 1.022 57.294 56.287 -0.026 0.000 0.935 1879 K CB 0.031 32.524 32.500 -0.012 0.000 0.728 1879 K HN 0.148 nan 8.250 nan 0.000 0.452 1880 T N 0.000 114.488 114.554 -0.110 0.000 3.816 1880 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1880 T CA 0.000 62.014 62.100 -0.144 0.000 1.349 1880 T CB 0.000 68.757 68.868 -0.186 0.000 0.612 1880 T HN 0.000 nan 8.240 nan 0.000 0.658