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 3c4b_1_A DATA FIRST_RESID 1638 DATA SEQUENCE DAEKTLNHLI SGFETFEKKI NYRFKNKAYL LQAFTHASYH YNTITDXYQR DATA SEQUENCE LEFLGDAILD YLITKHLYED PRQHSPGVLT DLRSALVNNT IFASLAVKYD DATA SEQUENCE YHKYFKAVSP ELFHVIDDFV KFQLEKNEXX XXXXXXXXXX XXXXXXEDIE DATA SEQUENCE VPKAXGDIFE SLAGAIYXDS GXSLEVVWQV YYPXXQPLIE KFSANVPRSP DATA SEQUENCE VRELLEXEPE TAKFSPAERT YDGKVRVTVE VVGKGKFKGV GRSYRIAKSA DATA SEQUENCE AARRALRSLK ANQ 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 1638 D HA 0.000 nan 4.640 nan 0.000 0.175 1638 D C 0.000 176.314 176.300 0.023 0.000 2.045 1638 D CA 0.000 54.010 54.000 0.016 0.000 0.868 1638 D CB 0.000 40.807 40.800 0.012 0.000 0.688 1639 A N 3.379 126.212 122.820 0.022 0.000 1.902 1639 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 1639 A C 1.751 179.351 177.584 0.026 0.000 1.181 1639 A CA 1.799 53.851 52.037 0.026 0.000 0.623 1639 A CB -0.158 18.854 19.000 0.021 0.000 0.818 1639 A HN 0.560 nan 8.150 nan 0.000 0.443 1640 E N 0.126 120.336 120.200 0.017 0.000 2.106 1640 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 1640 E C 1.961 178.577 176.600 0.026 0.000 0.984 1640 E CA 1.438 57.847 56.400 0.014 0.000 0.806 1640 E CB -0.145 29.558 29.700 0.006 0.000 0.750 1640 E HN 0.645 nan 8.360 nan 0.000 0.458 1641 K N -0.754 119.663 120.400 0.029 0.000 2.057 1641 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 1641 K C 2.136 178.778 176.600 0.070 0.000 1.049 1641 K CA 1.660 57.970 56.287 0.038 0.000 0.931 1641 K CB -0.193 32.320 32.500 0.022 0.000 0.714 1641 K HN 0.110 nan 8.250 nan 0.000 0.440 1642 T N 2.022 116.620 114.554 0.073 0.000 2.777 1642 T HA -0.120 4.229 4.350 -0.000 0.000 0.266 1642 T C 1.746 176.517 174.700 0.119 0.000 1.040 1642 T CA 0.899 63.068 62.100 0.115 0.000 1.141 1642 T CB -0.220 68.705 68.868 0.095 0.000 0.868 1642 T HN 0.075 nan 8.240 nan 0.000 0.444 1643 L N 2.248 123.512 121.223 0.069 0.000 2.012 1643 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 1643 L C 1.960 178.857 176.870 0.045 0.000 1.073 1643 L CA 1.774 56.636 54.840 0.038 0.000 0.748 1643 L CB -0.884 41.176 42.059 0.002 0.000 0.891 1643 L HN 0.109 nan 8.230 nan 0.000 0.431 1644 N N -1.148 117.588 118.700 0.060 0.000 2.149 1644 N HA -0.245 4.495 4.740 -0.000 0.000 0.188 1644 N C 1.916 177.495 175.510 0.116 0.000 1.019 1644 N CA 1.547 54.637 53.050 0.067 0.000 0.857 1644 N CB -0.505 38.018 38.487 0.059 0.000 0.997 1644 N HN 0.592 nan 8.380 nan 0.000 0.426 1645 H N 0.836 119.927 119.070 0.034 0.000 2.326 1645 H HA 0.122 4.678 4.556 -0.000 0.000 0.301 1645 H C 1.990 177.358 175.328 0.068 0.000 1.081 1645 H CA 1.309 57.381 56.048 0.041 0.000 1.334 1645 H CB -0.403 29.379 29.762 0.033 0.000 1.385 1645 H HN 0.093 nan 8.280 nan 0.000 0.504 1646 L N 0.532 121.734 121.223 -0.035 0.000 2.217 1646 L HA -0.054 4.286 4.340 -0.000 0.000 0.211 1646 L C 2.182 179.085 176.870 0.054 0.000 1.107 1646 L CA 1.152 55.964 54.840 -0.046 0.000 0.783 1646 L CB -0.316 41.797 42.059 0.090 0.000 0.919 1646 L HN 0.452 nan 8.230 nan 0.000 0.442 1647 I N -4.337 116.262 120.570 0.049 0.000 3.684 1647 I HA 0.103 4.273 4.170 -0.000 0.000 0.304 1647 I C 0.770 177.041 176.117 0.256 0.000 1.278 1647 I CA -0.186 61.184 61.300 0.118 0.000 1.272 1647 I CB -0.092 37.854 38.000 -0.090 0.000 1.029 1647 I HN -0.085 nan 8.210 nan 0.000 0.458 1648 S N 2.449 118.224 115.700 0.125 0.000 2.673 1648 S HA 0.291 4.761 4.470 -0.000 0.000 0.308 1648 S C 1.293 175.951 174.600 0.095 0.000 1.246 1648 S CA 0.881 59.137 58.200 0.094 0.000 1.077 1648 S CB 0.369 63.597 63.200 0.047 0.000 0.814 1648 S HN 0.883 nan 8.310 nan 0.000 0.503 1649 G N 2.665 111.521 108.800 0.093 0.000 2.232 1649 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.226 1649 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.226 1649 G C 0.567 175.509 174.900 0.070 0.000 0.996 1649 G CA -0.116 45.016 45.100 0.053 0.000 0.626 1649 G HN 0.641 nan 8.290 nan 0.000 0.509 1650 F N 1.793 121.739 119.950 -0.008 0.000 2.546 1650 F HA 0.184 4.711 4.527 -0.001 0.000 0.298 1650 F C 2.340 178.081 175.800 -0.099 0.000 1.120 1650 F CA 1.547 59.469 58.000 -0.129 0.000 1.456 1650 F CB 0.050 38.944 39.000 -0.177 0.000 1.088 1650 F HN 0.275 nan 8.300 nan 0.000 0.572 1651 E N -0.171 120.100 120.200 0.118 0.000 2.070 1651 E HA -0.213 4.137 4.350 -0.000 0.000 0.197 1651 E C 2.176 178.791 176.600 0.025 0.000 1.004 1651 E CA 2.201 58.640 56.400 0.064 0.000 0.805 1651 E CB -0.787 28.944 29.700 0.052 0.000 0.744 1651 E HN 0.239 nan 8.360 nan 0.000 0.451 1652 T N 0.384 114.957 114.554 0.032 0.000 2.821 1652 T HA -0.128 4.221 4.350 -0.000 0.000 0.267 1652 T C 1.487 176.163 174.700 -0.040 0.000 1.046 1652 T CA 1.030 63.157 62.100 0.044 0.000 1.139 1652 T CB -0.370 68.596 68.868 0.164 0.000 0.871 1652 T HN 0.128 nan 8.240 nan 0.000 0.454 1653 F N 2.089 121.746 119.950 -0.489 0.000 2.113 1653 F HA -0.008 4.519 4.527 -0.000 0.000 0.297 1653 F C 2.245 177.905 175.800 -0.233 0.000 1.103 1653 F CA 1.108 58.705 58.000 -0.672 0.000 1.248 1653 F CB -0.350 37.846 39.000 -1.340 0.000 0.999 1653 F HN 0.160 nan 8.300 nan 0.000 0.475 1654 E N -0.005 120.103 120.200 -0.153 0.000 2.110 1654 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 1654 E C 2.127 178.642 176.600 -0.142 0.000 0.988 1654 E CA 1.134 57.468 56.400 -0.110 0.000 0.804 1654 E CB -0.111 29.617 29.700 0.047 0.000 0.745 1654 E HN 0.338 nan 8.360 nan 0.000 0.458 1655 K N 1.014 121.352 120.400 -0.103 0.000 2.057 1655 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 1655 K C 2.086 178.629 176.600 -0.095 0.000 1.049 1655 K CA 1.024 57.266 56.287 -0.075 0.000 0.931 1655 K CB -0.246 32.235 32.500 -0.032 0.000 0.714 1655 K HN 0.026 nan 8.250 nan 0.000 0.440 1656 K N 1.753 122.072 120.400 -0.134 0.000 2.057 1656 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 1656 K C 2.080 178.584 176.600 -0.161 0.000 1.049 1656 K CA 1.270 57.499 56.287 -0.097 0.000 0.931 1656 K CB -0.113 32.367 32.500 -0.034 0.000 0.714 1656 K HN 0.267 nan 8.250 nan 0.000 0.440 1657 I N -2.382 117.979 120.570 -0.348 0.000 3.578 1657 I HA 0.136 4.305 4.170 -0.000 0.000 0.295 1657 I C -0.009 176.017 176.117 -0.151 0.000 1.280 1657 I CA 0.075 61.191 61.300 -0.306 0.000 1.347 1657 I CB -0.316 37.401 38.000 -0.471 0.000 1.051 1657 I HN 0.175 nan 8.210 nan 0.000 0.460 1658 N N 1.418 120.051 118.700 -0.111 0.000 2.738 1658 N HA -0.306 4.434 4.740 -0.000 0.000 0.249 1658 N C -0.989 174.533 175.510 0.020 0.000 1.047 1658 N CA 0.806 53.826 53.050 -0.050 0.000 0.707 1658 N CB -1.536 36.927 38.487 -0.039 0.000 0.937 1658 N HN 0.794 nan 8.380 nan 0.000 0.545 1659 Y N -0.127 120.097 120.300 -0.126 0.000 2.401 1659 Y HA 0.521 5.071 4.550 -0.000 0.000 0.330 1659 Y C -0.455 175.399 175.900 -0.077 0.000 1.071 1659 Y CA -1.133 56.894 58.100 -0.122 0.000 1.049 1659 Y CB 1.074 39.438 38.460 -0.160 0.000 1.239 1659 Y HN 0.172 nan 8.280 nan 0.000 0.437 1660 R N 5.843 125.894 120.500 -0.747 0.000 2.229 1660 R HA 0.440 4.780 4.340 -0.000 0.000 0.332 1660 R C -1.454 174.448 176.300 -0.664 0.000 0.989 1660 R CA -0.405 55.418 56.100 -0.461 0.000 0.842 1660 R CB 0.322 30.452 30.300 -0.282 0.000 1.119 1660 R HN 0.630 nan 8.270 nan 0.000 0.456 1661 F N 3.802 123.597 119.950 -0.259 0.000 2.538 1661 F HA 0.025 4.552 4.527 -0.000 0.000 0.371 1661 F C 1.490 177.243 175.800 -0.078 0.000 1.087 1661 F CA 0.514 58.493 58.000 -0.036 0.000 1.250 1661 F CB 0.988 40.054 39.000 0.110 0.000 1.110 1661 F HN 0.545 nan 8.300 nan 0.000 0.570 1662 K N 1.250 121.698 120.400 0.081 0.000 2.103 1662 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 1662 K C 0.479 177.109 176.600 0.050 0.000 1.052 1662 K CA 0.870 57.182 56.287 0.042 0.000 0.945 1662 K CB -0.014 32.503 32.500 0.029 0.000 0.722 1662 K HN 0.348 nan 8.250 nan 0.000 0.443 1663 N N 0.918 119.670 118.700 0.087 0.000 2.518 1663 N HA 0.054 4.794 4.740 -0.000 0.000 0.254 1663 N C 0.032 175.483 175.510 -0.098 0.000 0.979 1663 N CA -0.115 52.860 53.050 -0.125 0.000 0.930 1663 N CB 0.986 39.190 38.487 -0.472 0.000 1.152 1663 N HN -0.174 nan 8.380 nan 0.000 0.505 1664 K N 2.117 122.454 120.400 -0.104 0.000 2.280 1664 K HA -0.030 4.290 4.320 -0.000 0.000 0.202 1664 K C 1.463 177.909 176.600 -0.258 0.000 1.047 1664 K CA 0.747 56.929 56.287 -0.175 0.000 0.942 1664 K CB -0.310 32.100 32.500 -0.150 0.000 0.739 1664 K HN 0.591 nan 8.250 nan 0.000 0.457 1665 A N 0.829 123.500 122.820 -0.248 0.000 1.978 1665 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 1665 A C 1.748 179.294 177.584 -0.064 0.000 1.170 1665 A CA 1.257 53.187 52.037 -0.178 0.000 0.636 1665 A CB -0.591 18.299 19.000 -0.183 0.000 0.810 1665 A HN 0.207 nan 8.150 nan 0.000 0.448 1666 Y N -1.079 119.200 120.300 -0.035 0.000 2.263 1666 Y HA -0.036 4.514 4.550 -0.000 0.000 0.292 1666 Y C 2.157 177.949 175.900 -0.181 0.000 1.130 1666 Y CA 0.523 58.629 58.100 0.011 0.000 1.179 1666 Y CB -0.991 37.603 38.460 0.223 0.000 0.998 1666 Y HN 0.322 nan 8.280 nan 0.000 0.532 1667 L N -0.127 120.813 121.223 -0.472 0.000 2.017 1667 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 1667 L C 2.256 178.919 176.870 -0.345 0.000 1.073 1667 L CA 1.385 55.788 54.840 -0.729 0.000 0.745 1667 L CB -1.174 40.142 42.059 -1.239 0.000 0.894 1667 L HN 0.214 nan 8.230 nan 0.000 0.432 1668 L N -0.223 120.757 121.223 -0.404 0.000 2.013 1668 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 1668 L C 2.599 179.502 176.870 0.056 0.000 1.073 1668 L CA 2.354 57.058 54.840 -0.228 0.000 0.753 1668 L CB -0.979 40.979 42.059 -0.168 0.000 0.890 1668 L HN 0.613 nan 8.230 nan 0.000 0.432 1669 Q N -0.844 119.009 119.800 0.089 0.000 2.061 1669 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 1669 Q C 2.136 178.276 176.000 0.234 0.000 0.984 1669 Q CA 1.947 57.852 55.803 0.171 0.000 0.846 1669 Q CB -0.276 28.576 28.738 0.190 0.000 0.902 1669 Q HN 0.670 nan 8.270 nan 0.000 0.421 1670 A N -0.283 122.663 122.820 0.210 0.000 1.978 1670 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 1670 A C 1.391 179.041 177.584 0.111 0.000 1.170 1670 A CA 1.209 53.341 52.037 0.159 0.000 0.636 1670 A CB -0.569 18.500 19.000 0.114 0.000 0.810 1670 A HN 0.500 nan 8.150 nan 0.000 0.448 1671 F N -0.395 119.691 119.950 0.227 0.000 2.664 1671 F HA 0.150 4.677 4.527 -0.001 0.000 0.303 1671 F C 0.476 176.470 175.800 0.323 0.000 1.092 1671 F CA 0.223 58.420 58.000 0.328 0.000 1.305 1671 F CB 0.454 39.659 39.000 0.341 0.000 1.054 1671 F HN -0.121 nan 8.300 nan 0.000 0.565 1672 T N -0.089 114.726 114.554 0.435 0.000 2.762 1672 T HA 0.093 4.442 4.350 -0.000 0.000 0.303 1672 T C -0.402 174.458 174.700 0.266 0.000 0.977 1672 T CA -0.182 62.080 62.100 0.269 0.000 0.961 1672 T CB -0.172 68.831 68.868 0.225 0.000 0.944 1672 T HN 0.111 nan 8.240 nan 0.000 0.481 1673 H N 2.458 121.582 119.070 0.091 0.000 2.679 1673 H HA 0.463 5.018 4.556 -0.000 0.000 0.369 1673 H C 1.451 176.738 175.328 -0.069 0.000 1.178 1673 H CA 0.261 56.294 56.048 -0.026 0.000 1.419 1673 H CB 0.698 30.493 29.762 0.056 0.000 1.458 1673 H HN 0.604 nan 8.280 nan 0.000 0.605 1674 A N 2.341 124.727 122.820 -0.724 0.000 1.986 1674 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 1674 A C 2.315 179.804 177.584 -0.159 0.000 1.171 1674 A CA 2.186 53.969 52.037 -0.423 0.000 0.640 1674 A CB -1.146 17.576 19.000 -0.463 0.000 0.811 1674 A HN 0.778 nan 8.150 nan 0.000 0.451 1675 S N -2.655 113.032 115.700 -0.021 0.000 2.561 1675 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 1675 S C 0.690 175.408 174.600 0.197 0.000 0.977 1675 S CA 0.145 58.462 58.200 0.194 0.000 0.926 1675 S CB -0.466 62.970 63.200 0.394 0.000 0.769 1675 S HN 0.469 nan 8.310 nan 0.000 0.533 1676 Y N 5.264 125.583 120.300 0.031 0.000 2.570 1676 Y HA 0.175 4.725 4.550 -0.000 0.000 0.336 1676 Y C 1.688 177.529 175.900 -0.097 0.000 1.284 1676 Y CA -1.459 56.620 58.100 -0.036 0.000 1.761 1676 Y CB -0.805 37.667 38.460 0.020 0.000 1.724 1676 Y HN 0.418 nan 8.280 nan 0.000 0.455 1677 H N 0.832 119.749 119.070 -0.256 0.000 2.521 1677 H HA -0.174 4.382 4.556 -0.000 0.000 0.286 1677 H C 0.597 175.669 175.328 -0.426 0.000 1.034 1677 H CA 1.283 57.141 56.048 -0.318 0.000 1.278 1677 H CB -0.402 29.150 29.762 -0.350 0.000 1.386 1677 H HN 0.592 nan 8.280 nan 0.000 0.567 1678 Y N 1.545 121.416 120.300 -0.715 0.000 2.421 1678 Y HA -0.093 4.457 4.550 -0.000 0.000 0.292 1678 Y C 1.270 176.997 175.900 -0.288 0.000 1.136 1678 Y CA 0.596 58.404 58.100 -0.488 0.000 1.255 1678 Y CB -0.251 37.752 38.460 -0.763 0.000 0.991 1678 Y HN 0.228 nan 8.280 nan 0.000 0.552 1679 N N 0.845 119.469 118.700 -0.126 0.000 2.448 1679 N HA -0.014 4.726 4.740 -0.000 0.000 0.250 1679 N C 0.312 175.868 175.510 0.077 0.000 1.136 1679 N CA 0.353 53.477 53.050 0.122 0.000 0.953 1679 N CB 0.449 39.121 38.487 0.309 0.000 1.251 1679 N HN 0.251 nan 8.380 nan 0.000 0.502 1680 T N 0.460 115.057 114.554 0.072 0.000 3.145 1680 T HA 0.166 4.515 4.350 -0.000 0.000 0.255 1680 T C 1.514 176.247 174.700 0.055 0.000 1.039 1680 T CA -0.170 61.962 62.100 0.053 0.000 0.928 1680 T CB -0.571 68.325 68.868 0.047 0.000 1.029 1680 T HN 0.574 nan 8.240 nan 0.000 0.554 1681 I N -1.562 119.050 120.570 0.069 0.000 4.471 1681 I HA 0.387 4.557 4.170 -0.000 0.000 0.326 1681 I C 0.526 176.681 176.117 0.062 0.000 1.300 1681 I CA -0.451 60.885 61.300 0.059 0.000 1.237 1681 I CB 0.645 38.679 38.000 0.056 0.000 1.195 1681 I HN 0.193 nan 8.210 nan 0.000 0.427 1682 T N -1.948 112.653 114.554 0.078 0.000 2.887 1682 T HA 0.412 4.762 4.350 -0.000 0.000 0.292 1682 T C -0.474 174.276 174.700 0.084 0.000 1.087 1682 T CA -0.586 61.565 62.100 0.085 0.000 1.009 1682 T CB 2.520 71.448 68.868 0.101 0.000 1.203 1682 T HN 0.060 nan 8.240 nan 0.000 0.518 1686 Q N 1.697 121.593 119.800 0.160 0.000 2.096 1686 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 1686 Q C 1.766 177.875 176.000 0.182 0.000 0.982 1686 Q CA 2.202 58.118 55.803 0.189 0.000 0.850 1686 Q CB -0.125 28.622 28.738 0.015 0.000 0.901 1686 Q HN 0.540 nan 8.270 nan 0.000 0.422 1687 R N 0.264 120.833 120.500 0.116 0.000 2.092 1687 R HA -0.073 4.266 4.340 -0.000 0.000 0.231 1687 R C 2.332 178.741 176.300 0.181 0.000 1.119 1687 R CA 0.884 57.051 56.100 0.112 0.000 0.970 1687 R CB -0.223 30.106 30.300 0.048 0.000 0.864 1687 R HN 0.250 nan 8.270 nan 0.000 0.440 1688 L N 0.465 121.782 121.223 0.157 0.000 2.046 1688 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 1688 L C 2.632 179.564 176.870 0.103 0.000 1.077 1688 L CA 1.312 56.223 54.840 0.118 0.000 0.747 1688 L CB -0.472 41.656 42.059 0.115 0.000 0.896 1688 L HN 0.299 nan 8.230 nan 0.000 0.432 1689 E N 0.357 120.656 120.200 0.166 0.000 2.058 1689 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 1689 E C 2.198 178.878 176.600 0.134 0.000 0.997 1689 E CA 1.622 58.099 56.400 0.128 0.000 0.801 1689 E CB -0.187 29.650 29.700 0.228 0.000 0.746 1689 E HN 0.372 nan 8.360 nan 0.000 0.450 1690 F N 1.270 121.239 119.950 0.032 0.000 2.065 1690 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 1690 F C 2.141 177.916 175.800 -0.042 0.000 1.112 1690 F CA 1.689 59.692 58.000 0.005 0.000 1.212 1690 F CB -0.477 38.529 39.000 0.010 0.000 0.975 1690 F HN 0.157 nan 8.300 nan 0.000 0.476 1691 L N 0.787 122.000 121.223 -0.017 0.000 2.017 1691 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 1691 L C 2.517 179.211 176.870 -0.293 0.000 1.073 1691 L CA 2.253 56.962 54.840 -0.218 0.000 0.745 1691 L CB -1.604 40.391 42.059 -0.107 0.000 0.894 1691 L HN 0.233 nan 8.230 nan 0.000 0.432 1692 G N -1.254 107.423 108.800 -0.204 0.000 2.442 1692 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.219 1692 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.219 1692 G C 1.301 176.057 174.900 -0.240 0.000 1.141 1692 G CA 0.966 45.914 45.100 -0.253 0.000 0.763 1692 G HN 0.523 nan 8.290 nan 0.000 0.554 1693 D N 0.570 120.868 120.400 -0.170 0.000 2.123 1693 D HA -0.001 4.639 4.640 -0.000 0.000 0.196 1693 D C 2.655 178.881 176.300 -0.123 0.000 0.992 1693 D CA 1.553 55.500 54.000 -0.088 0.000 0.833 1693 D CB -0.243 40.532 40.800 -0.041 0.000 0.954 1693 D HN 0.251 nan 8.370 nan 0.000 0.455 1694 A N -0.201 122.477 122.820 -0.236 0.000 1.929 1694 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 1694 A C 2.348 179.826 177.584 -0.175 0.000 1.176 1694 A CA 0.679 52.584 52.037 -0.219 0.000 0.628 1694 A CB -0.629 18.177 19.000 -0.325 0.000 0.816 1694 A HN 0.348 nan 8.150 nan 0.000 0.444 1695 I N -0.180 120.242 120.570 -0.247 0.000 2.163 1695 I HA -0.277 3.893 4.170 -0.000 0.000 0.243 1695 I C 2.341 178.373 176.117 -0.142 0.000 1.085 1695 I CA 1.268 62.436 61.300 -0.220 0.000 1.347 1695 I CB -0.279 37.513 38.000 -0.346 0.000 1.044 1695 I HN 0.295 nan 8.210 nan 0.000 0.408 1696 L N 0.027 121.147 121.223 -0.171 0.000 2.093 1696 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 1696 L C 2.260 179.120 176.870 -0.017 0.000 1.085 1696 L CA 1.268 56.040 54.840 -0.112 0.000 0.755 1696 L CB -0.688 41.273 42.059 -0.163 0.000 0.904 1696 L HN 0.288 nan 8.230 nan 0.000 0.435 1697 D N -0.253 120.156 120.400 0.015 0.000 2.104 1697 D HA -0.300 4.339 4.640 -0.000 0.000 0.194 1697 D C 2.063 178.354 176.300 -0.015 0.000 0.994 1697 D CA 1.553 55.571 54.000 0.030 0.000 0.830 1697 D CB -0.120 40.689 40.800 0.014 0.000 0.959 1697 D HN 0.325 nan 8.370 nan 0.000 0.452 1698 Y N 0.744 120.959 120.300 -0.143 0.000 2.114 1698 Y HA -0.086 4.464 4.550 -0.000 0.000 0.284 1698 Y C 2.090 177.851 175.900 -0.231 0.000 1.143 1698 Y CA 1.562 59.559 58.100 -0.171 0.000 1.135 1698 Y CB -0.544 37.806 38.460 -0.183 0.000 0.980 1698 Y HN 0.028 nan 8.280 nan 0.000 0.499 1699 L N -0.359 120.517 121.223 -0.579 0.000 2.083 1699 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 1699 L C 2.445 178.850 176.870 -0.775 0.000 1.083 1699 L CA 1.392 55.646 54.840 -0.976 0.000 0.752 1699 L CB -0.508 40.874 42.059 -1.128 0.000 0.899 1699 L HN 0.285 nan 8.230 nan 0.000 0.433 1700 I N -0.813 119.528 120.570 -0.381 0.000 2.233 1700 I HA -0.238 3.931 4.170 -0.000 0.000 0.243 1700 I C 2.519 178.605 176.117 -0.051 0.000 1.093 1700 I CA 1.312 62.551 61.300 -0.101 0.000 1.380 1700 I CB -0.462 37.572 38.000 0.056 0.000 1.067 1700 I HN 0.195 nan 8.210 nan 0.000 0.413 1701 T N 0.699 115.190 114.554 -0.104 0.000 2.684 1701 T HA -0.272 4.077 4.350 -0.000 0.000 0.267 1701 T C 1.929 176.592 174.700 -0.062 0.000 1.036 1701 T CA 1.725 63.792 62.100 -0.055 0.000 1.148 1701 T CB -0.233 68.599 68.868 -0.060 0.000 0.863 1701 T HN 0.298 nan 8.240 nan 0.000 0.436 1702 K N -0.037 120.206 120.400 -0.261 0.000 2.032 1702 K HA -0.239 4.080 4.320 -0.000 0.000 0.209 1702 K C 2.248 178.832 176.600 -0.027 0.000 1.048 1702 K CA 1.941 58.078 56.287 -0.250 0.000 0.927 1702 K CB -0.267 31.870 32.500 -0.606 0.000 0.712 1702 K HN 0.487 nan 8.250 nan 0.000 0.441 1703 H N 0.361 119.366 119.070 -0.108 0.000 2.319 1703 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 1703 H C 2.008 177.412 175.328 0.127 0.000 1.092 1703 H CA 2.216 58.307 56.048 0.071 0.000 1.302 1703 H CB -0.100 29.769 29.762 0.179 0.000 1.373 1703 H HN 0.147 nan 8.280 nan 0.000 0.497 1704 L N -0.757 120.630 121.223 0.274 0.000 2.012 1704 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 1704 L C 2.295 179.297 176.870 0.220 0.000 1.073 1704 L CA 1.707 56.700 54.840 0.255 0.000 0.748 1704 L CB -0.687 41.483 42.059 0.184 0.000 0.891 1704 L HN 0.384 nan 8.230 nan 0.000 0.431 1705 Y N 1.088 121.418 120.300 0.051 0.000 2.207 1705 Y HA -0.270 4.280 4.550 -0.000 0.000 0.287 1705 Y C 2.352 178.246 175.900 -0.011 0.000 1.156 1705 Y CA 1.786 59.899 58.100 0.022 0.000 1.182 1705 Y CB -0.061 38.394 38.460 -0.010 0.000 0.979 1705 Y HN 0.221 nan 8.280 nan 0.000 0.521 1706 E N -0.214 120.019 120.200 0.055 0.000 2.481 1706 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 1706 E C 0.178 176.701 176.600 -0.128 0.000 1.047 1706 E CA 0.209 56.579 56.400 -0.051 0.000 0.867 1706 E CB -0.096 29.597 29.700 -0.012 0.000 0.858 1706 E HN 0.315 nan 8.360 nan 0.000 0.513 1707 D N 1.572 121.900 120.400 -0.120 0.000 2.434 1707 D HA -0.028 4.611 4.640 -0.000 0.000 0.252 1707 D C -1.739 174.457 176.300 -0.174 0.000 1.185 1707 D CA -1.879 52.048 54.000 -0.122 0.000 0.886 1707 D CB 1.157 41.959 40.800 0.004 0.000 1.148 1707 D HN -0.101 nan 8.370 nan 0.000 0.483 1708 P HA -0.015 nan 4.420 nan 0.000 0.239 1708 P C 1.005 178.200 177.300 -0.175 0.000 1.184 1708 P CA 0.471 63.488 63.100 -0.138 0.000 0.760 1708 P CB 0.149 31.798 31.700 -0.084 0.000 0.884 1709 R N 0.028 120.378 120.500 -0.250 0.000 2.241 1709 R HA -0.052 4.288 4.340 -0.000 0.000 0.224 1709 R C 0.582 176.645 176.300 -0.395 0.000 1.101 1709 R CA 0.401 56.300 56.100 -0.335 0.000 0.995 1709 R CB -0.636 29.391 30.300 -0.455 0.000 0.870 1709 R HN 0.303 nan 8.270 nan 0.000 0.463 1710 Q N 0.898 120.469 119.800 -0.381 0.000 2.439 1710 Q HA -0.191 4.149 4.340 -0.000 0.000 0.325 1710 Q C -0.917 174.956 176.000 -0.212 0.000 1.372 1710 Q CA 0.292 55.932 55.803 -0.271 0.000 0.909 1710 Q CB -1.486 27.136 28.738 -0.193 0.000 1.167 1710 Q HN 0.506 nan 8.270 nan 0.000 0.418 1711 H N 0.459 119.495 119.070 -0.058 0.000 3.038 1711 H HA 0.077 4.632 4.556 -0.000 0.000 0.338 1711 H C 1.279 176.585 175.328 -0.037 0.000 1.041 1711 H CA 0.966 56.996 56.048 -0.030 0.000 1.394 1711 H CB 0.533 30.294 29.762 -0.002 0.000 1.357 1711 H HN 0.537 nan 8.280 nan 0.000 0.600 1712 S N 2.994 118.755 115.700 0.102 0.000 2.596 1712 S HA 0.034 4.503 4.470 -0.000 0.000 0.260 1712 S C -1.618 173.018 174.600 0.059 0.000 1.336 1712 S CA -1.146 57.083 58.200 0.047 0.000 0.993 1712 S CB 1.018 64.238 63.200 0.034 0.000 0.923 1712 S HN 0.327 nan 8.310 nan 0.000 0.567 1713 P HA 0.019 nan 4.420 nan 0.000 0.216 1713 P C 1.688 179.012 177.300 0.040 0.000 1.150 1713 P CA 1.659 64.787 63.100 0.047 0.000 0.837 1713 P CB -0.511 31.211 31.700 0.037 0.000 0.786 1714 G N -0.519 108.299 108.800 0.031 0.000 2.402 1714 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 1714 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 1714 G C 1.608 176.518 174.900 0.016 0.000 1.162 1714 G CA 0.566 45.679 45.100 0.022 0.000 0.777 1714 G HN 0.145 nan 8.290 nan 0.000 0.539 1715 V N 1.006 120.933 119.914 0.022 0.000 2.358 1715 V HA -0.112 4.008 4.120 -0.000 0.000 0.246 1715 V C 2.911 178.979 176.094 -0.043 0.000 1.047 1715 V CA 1.318 63.615 62.300 -0.004 0.000 1.035 1715 V CB -0.485 31.355 31.823 0.028 0.000 0.658 1715 V HN 0.329 nan 8.190 nan 0.000 0.452 1716 L N -0.211 121.015 121.223 0.005 0.000 2.013 1716 L HA -0.241 4.098 4.340 -0.000 0.000 0.212 1716 L C 2.663 179.538 176.870 0.008 0.000 1.073 1716 L CA 2.200 57.046 54.840 0.010 0.000 0.753 1716 L CB -1.071 41.039 42.059 0.084 0.000 0.890 1716 L HN 0.364 nan 8.230 nan 0.000 0.432 1717 T N -0.980 113.584 114.554 0.017 0.000 2.684 1717 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 1717 T C 1.479 176.182 174.700 0.004 0.000 1.036 1717 T CA 1.608 63.717 62.100 0.015 0.000 1.148 1717 T CB -0.286 68.591 68.868 0.016 0.000 0.863 1717 T HN 0.328 nan 8.240 nan 0.000 0.436 1718 D N 1.048 121.446 120.400 -0.003 0.000 2.123 1718 D HA -0.032 4.607 4.640 -0.000 0.000 0.196 1718 D C 2.167 178.470 176.300 0.005 0.000 0.992 1718 D CA 0.774 54.771 54.000 -0.004 0.000 0.833 1718 D CB -0.463 40.330 40.800 -0.013 0.000 0.954 1718 D HN 0.295 nan 8.370 nan 0.000 0.455 1719 L N 0.204 121.420 121.223 -0.012 0.000 2.046 1719 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 1719 L C 2.646 179.532 176.870 0.028 0.000 1.077 1719 L CA 1.006 55.853 54.840 0.012 0.000 0.747 1719 L CB -0.235 41.779 42.059 -0.075 0.000 0.896 1719 L HN -0.034 nan 8.230 nan 0.000 0.432 1720 R N -0.313 120.195 120.500 0.012 0.000 2.083 1720 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 1720 R C 2.431 178.729 176.300 -0.004 0.000 1.137 1720 R CA 1.886 57.993 56.100 0.011 0.000 0.951 1720 R CB -0.135 30.174 30.300 0.015 0.000 0.851 1720 R HN 0.199 nan 8.270 nan 0.000 0.434 1721 S N 0.131 115.831 115.700 -0.001 0.000 2.382 1721 S HA -0.144 4.326 4.470 -0.000 0.000 0.228 1721 S C 1.910 176.501 174.600 -0.016 0.000 1.027 1721 S CA 1.181 59.373 58.200 -0.013 0.000 0.991 1721 S CB -0.195 63.002 63.200 -0.006 0.000 0.823 1721 S HN 0.580 nan 8.310 nan 0.000 0.469 1722 A N 0.662 123.501 122.820 0.032 0.000 1.969 1722 A HA 0.115 4.435 4.320 -0.000 0.000 0.218 1722 A C 2.030 179.634 177.584 0.033 0.000 1.169 1722 A CA 0.975 53.077 52.037 0.109 0.000 0.635 1722 A CB -0.360 18.794 19.000 0.257 0.000 0.810 1722 A HN 0.455 nan 8.150 nan 0.000 0.445 1723 L N -0.951 120.237 121.223 -0.058 0.000 2.286 1723 L HA 0.086 4.426 4.340 -0.000 0.000 0.203 1723 L C 0.296 176.994 176.870 -0.287 0.000 1.068 1723 L CA 0.127 54.853 54.840 -0.190 0.000 0.811 1723 L CB 0.124 42.110 42.059 -0.122 0.000 0.989 1723 L HN 0.045 nan 8.230 nan 0.000 0.467 1724 V N 2.431 122.224 119.914 -0.202 0.000 2.223 1724 V HA 0.193 4.313 4.120 -0.000 0.000 0.249 1724 V C -0.335 175.504 176.094 -0.425 0.000 1.233 1724 V CA -0.039 62.112 62.300 -0.248 0.000 1.131 1724 V CB -0.843 30.981 31.823 0.002 0.000 1.298 1724 V HN 0.345 nan 8.190 nan 0.000 0.498 1725 N N 3.322 121.455 118.700 -0.944 0.000 2.554 1725 N HA 0.093 4.833 4.740 -0.000 0.000 0.271 1725 N C 0.624 175.729 175.510 -0.675 0.000 1.081 1725 N CA -0.427 52.274 53.050 -0.580 0.000 0.994 1725 N CB 1.686 39.941 38.487 -0.387 0.000 1.641 1725 N HN 0.332 nan 8.380 nan 0.000 0.511 1726 N N 2.082 120.610 118.700 -0.286 0.000 2.149 1726 N HA -0.139 4.600 4.740 -0.000 0.000 0.188 1726 N C 0.700 176.141 175.510 -0.115 0.000 1.019 1726 N CA 2.022 55.008 53.050 -0.107 0.000 0.857 1726 N CB 0.237 38.704 38.487 -0.033 0.000 0.997 1726 N HN 0.557 nan 8.380 nan 0.000 0.426 1727 T N 1.753 116.227 114.554 -0.132 0.000 2.777 1727 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 1727 T C 1.995 176.671 174.700 -0.040 0.000 1.040 1727 T CA 0.595 62.654 62.100 -0.070 0.000 1.141 1727 T CB 0.056 68.910 68.868 -0.023 0.000 0.868 1727 T HN 0.175 nan 8.240 nan 0.000 0.444 1728 I N 0.818 121.302 120.570 -0.144 0.000 2.226 1728 I HA -0.077 4.092 4.170 -0.000 0.000 0.245 1728 I C 2.123 178.163 176.117 -0.128 0.000 1.100 1728 I CA 1.316 62.520 61.300 -0.160 0.000 1.374 1728 I CB -1.245 36.581 38.000 -0.291 0.000 1.057 1728 I HN 0.175 nan 8.210 nan 0.000 0.413 1729 F N 1.467 121.291 119.950 -0.210 0.000 2.134 1729 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 1729 F C 2.694 178.237 175.800 -0.429 0.000 1.097 1729 F CA 0.896 58.662 58.000 -0.390 0.000 1.264 1729 F CB -1.611 37.357 39.000 -0.054 0.000 1.001 1729 F HN 0.048 nan 8.300 nan 0.000 0.479 1730 A N -0.367 122.442 122.820 -0.019 0.000 1.902 1730 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 1730 A C 2.450 180.124 177.584 0.150 0.000 1.181 1730 A CA 2.008 54.031 52.037 -0.024 0.000 0.623 1730 A CB -1.082 17.806 19.000 -0.188 0.000 0.818 1730 A HN 0.333 nan 8.150 nan 0.000 0.443 1731 S N -0.017 115.791 115.700 0.179 0.000 2.370 1731 S HA -0.106 4.364 4.470 -0.000 0.000 0.226 1731 S C 1.799 176.346 174.600 -0.088 0.000 1.033 1731 S CA 1.530 59.790 58.200 0.101 0.000 1.011 1731 S CB -0.433 62.792 63.200 0.041 0.000 0.852 1731 S HN 0.513 nan 8.310 nan 0.000 0.457 1732 L N 0.935 122.007 121.223 -0.253 0.000 2.109 1732 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 1732 L C 2.811 179.536 176.870 -0.242 0.000 1.086 1732 L CA 0.913 55.572 54.840 -0.303 0.000 0.760 1732 L CB -0.731 40.917 42.059 -0.685 0.000 0.910 1732 L HN 0.318 nan 8.230 nan 0.000 0.437 1733 A N 0.444 122.990 122.820 -0.456 0.000 1.883 1733 A HA -0.203 4.116 4.320 -0.000 0.000 0.217 1733 A C 2.315 179.951 177.584 0.086 0.000 1.186 1733 A CA 2.269 54.055 52.037 -0.419 0.000 0.624 1733 A CB -0.991 17.826 19.000 -0.305 0.000 0.822 1733 A HN 0.320 nan 8.150 nan 0.000 0.444 1734 V N -1.877 118.117 119.914 0.134 0.000 2.548 1734 V HA -0.147 3.972 4.120 -0.000 0.000 0.249 1734 V C 2.162 178.355 176.094 0.165 0.000 1.055 1734 V CA 2.358 64.799 62.300 0.235 0.000 1.065 1734 V CB -0.912 30.919 31.823 0.015 0.000 0.681 1734 V HN 0.548 nan 8.190 nan 0.000 0.462 1735 K N -0.262 120.131 120.400 -0.012 0.000 2.103 1735 K HA -0.161 4.158 4.320 -0.000 0.000 0.207 1735 K C 1.413 177.846 176.600 -0.278 0.000 1.048 1735 K CA 2.049 58.207 56.287 -0.215 0.000 0.930 1735 K CB -0.236 32.032 32.500 -0.386 0.000 0.716 1735 K HN 0.649 nan 8.250 nan 0.000 0.444 1736 Y N 0.773 121.230 120.300 0.262 0.000 2.625 1736 Y HA 0.124 4.673 4.550 -0.000 0.000 0.285 1736 Y C -0.365 175.903 175.900 0.614 0.000 1.168 1736 Y CA -0.329 58.011 58.100 0.401 0.000 1.250 1736 Y CB 0.513 39.245 38.460 0.453 0.000 1.130 1736 Y HN 0.147 nan 8.280 nan 0.000 0.526 1737 D N -2.545 118.201 120.400 0.577 0.000 3.090 1737 D HA -0.263 4.376 4.640 -0.000 0.000 0.215 1737 D C 0.710 177.254 176.300 0.406 0.000 1.140 1737 D CA 0.790 55.008 54.000 0.363 0.000 0.937 1737 D CB -1.571 39.438 40.800 0.349 0.000 1.108 1737 D HN 0.352 nan 8.370 nan 0.000 0.420 1738 Y N 0.256 120.820 120.300 0.441 0.000 2.256 1738 Y HA -0.201 4.349 4.550 -0.000 0.000 0.288 1738 Y C 2.534 178.615 175.900 0.302 0.000 1.155 1738 Y CA 1.770 60.129 58.100 0.431 0.000 1.203 1738 Y CB -0.584 38.150 38.460 0.456 0.000 0.980 1738 Y HN 0.543 nan 8.280 nan 0.000 0.530 1739 H N -0.692 118.597 119.070 0.365 0.000 2.491 1739 H HA -0.023 4.532 4.556 -0.000 0.000 0.290 1739 H C 1.291 176.716 175.328 0.161 0.000 1.050 1739 H CA 1.141 57.346 56.048 0.262 0.000 1.309 1739 H CB -0.360 29.525 29.762 0.205 0.000 1.392 1739 H HN 0.300 nan 8.280 nan 0.000 0.554 1740 K N 0.153 120.202 120.400 -0.586 0.000 2.439 1740 K HA -0.038 4.282 4.320 -0.000 0.000 0.197 1740 K C 0.500 176.461 176.600 -1.066 0.000 1.041 1740 K CA 0.843 56.636 56.287 -0.823 0.000 0.970 1740 K CB 0.173 31.998 32.500 -1.125 0.000 0.773 1740 K HN 0.375 nan 8.250 nan 0.000 0.479 1741 Y N -1.523 118.579 120.300 -0.330 0.000 2.426 1741 Y HA 0.164 4.714 4.550 -0.000 0.000 0.249 1741 Y C 0.388 176.135 175.900 -0.255 0.000 1.103 1741 Y CA -1.263 56.392 58.100 -0.742 0.000 1.256 1741 Y CB 0.112 37.621 38.460 -1.585 0.000 1.208 1741 Y HN -0.115 nan 8.280 nan 0.000 0.519 1742 F N 3.652 123.702 119.950 0.167 0.000 2.578 1742 F HA 0.201 4.728 4.527 -0.000 0.000 0.376 1742 F C 0.065 175.991 175.800 0.210 0.000 1.085 1742 F CA -0.728 57.498 58.000 0.376 0.000 1.260 1742 F CB 0.569 39.753 39.000 0.307 0.000 1.095 1742 F HN -0.231 nan 8.300 nan 0.000 0.573 1743 K N 6.463 126.634 120.400 -0.381 0.000 2.281 1743 K HA 0.723 5.043 4.320 -0.000 0.000 0.272 1743 K C -0.637 175.448 176.600 -0.859 0.000 1.048 1743 K CA -0.409 55.383 56.287 -0.825 0.000 0.898 1743 K CB 1.029 32.800 32.500 -1.215 0.000 1.128 1743 K HN 0.712 nan 8.250 nan 0.000 0.460 1744 A N 1.566 124.154 122.820 -0.388 0.000 2.610 1744 A HA 0.629 4.948 4.320 -0.000 0.000 0.291 1744 A C -1.363 176.445 177.584 0.374 0.000 1.086 1744 A CA -0.682 51.326 52.037 -0.048 0.000 0.677 1744 A CB 1.587 20.267 19.000 -0.534 0.000 1.278 1744 A HN 0.217 nan 8.150 nan 0.000 0.414 1745 V N 1.705 121.821 119.914 0.335 0.000 2.289 1745 V HA 0.690 4.810 4.120 -0.000 0.000 0.272 1745 V C -0.046 176.216 176.094 0.281 0.000 1.026 1745 V CA 0.187 62.678 62.300 0.319 0.000 0.807 1745 V CB 0.615 32.579 31.823 0.235 0.000 1.044 1745 V HN 1.119 nan 8.190 nan 0.000 0.443 1746 S N 5.726 121.624 115.700 0.330 0.000 2.333 1746 S HA 0.376 4.846 4.470 -0.000 0.000 0.208 1746 S C -2.252 172.552 174.600 0.341 0.000 0.911 1746 S CA -0.489 57.864 58.200 0.255 0.000 1.075 1746 S CB 1.765 65.054 63.200 0.148 0.000 1.293 1746 S HN 0.370 nan 8.310 nan 0.000 0.396 1747 P HA -0.120 nan 4.420 nan 0.000 0.216 1747 P C 1.121 178.589 177.300 0.280 0.000 1.150 1747 P CA 1.275 64.541 63.100 0.277 0.000 0.843 1747 P CB 0.202 32.009 31.700 0.179 0.000 0.787 1748 E N -1.097 119.229 120.200 0.210 0.000 2.106 1748 E HA -0.149 4.200 4.350 -0.000 0.000 0.192 1748 E C 1.872 178.561 176.600 0.148 0.000 0.984 1748 E CA 0.614 57.119 56.400 0.175 0.000 0.806 1748 E CB -0.647 29.117 29.700 0.108 0.000 0.750 1748 E HN 0.116 nan 8.360 nan 0.000 0.458 1749 L N 0.210 121.494 121.223 0.102 0.000 2.046 1749 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 1749 L C 1.856 178.727 176.870 0.001 0.000 1.077 1749 L CA 1.642 56.478 54.840 -0.008 0.000 0.747 1749 L CB -0.448 41.544 42.059 -0.112 0.000 0.896 1749 L HN 0.032 nan 8.230 nan 0.000 0.432 1750 F N -1.121 118.925 119.950 0.160 0.000 2.293 1750 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 1750 F C 2.537 178.442 175.800 0.176 0.000 1.086 1750 F CA 1.635 59.735 58.000 0.166 0.000 1.375 1750 F CB -0.358 38.727 39.000 0.141 0.000 1.045 1750 F HN 0.321 nan 8.300 nan 0.000 0.516 1751 H N -0.831 118.372 119.070 0.223 0.000 2.326 1751 H HA -0.144 4.412 4.556 -0.000 0.000 0.301 1751 H C 2.271 177.658 175.328 0.099 0.000 1.081 1751 H CA 1.372 57.504 56.048 0.141 0.000 1.334 1751 H CB 0.029 29.854 29.762 0.105 0.000 1.385 1751 H HN 0.008 nan 8.280 nan 0.000 0.504 1752 V N 1.068 121.096 119.914 0.191 0.000 2.332 1752 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 1752 V C 2.478 178.638 176.094 0.110 0.000 1.055 1752 V CA 1.930 64.271 62.300 0.069 0.000 1.038 1752 V CB -0.450 31.358 31.823 -0.024 0.000 0.651 1752 V HN 0.446 nan 8.190 nan 0.000 0.450 1753 I N 0.135 120.764 120.570 0.099 0.000 2.127 1753 I HA -0.258 3.912 4.170 -0.000 0.000 0.241 1753 I C 2.349 178.566 176.117 0.166 0.000 1.075 1753 I CA 1.794 63.162 61.300 0.113 0.000 1.334 1753 I CB -0.614 37.431 38.000 0.076 0.000 1.040 1753 I HN 0.318 nan 8.210 nan 0.000 0.405 1754 D N 0.922 121.440 120.400 0.196 0.000 2.123 1754 D HA -0.193 4.446 4.640 -0.000 0.000 0.196 1754 D C 1.778 178.161 176.300 0.138 0.000 0.992 1754 D CA 1.393 55.482 54.000 0.149 0.000 0.833 1754 D CB -0.468 40.418 40.800 0.144 0.000 0.954 1754 D HN 0.321 nan 8.370 nan 0.000 0.455 1755 D N -0.501 120.016 120.400 0.195 0.000 2.144 1755 D HA -0.111 4.528 4.640 -0.000 0.000 0.200 1755 D C 1.789 178.201 176.300 0.186 0.000 0.978 1755 D CA 0.309 54.411 54.000 0.171 0.000 0.833 1755 D CB -0.427 40.465 40.800 0.153 0.000 0.961 1755 D HN 0.236 nan 8.370 nan 0.000 0.470 1756 F N 0.831 120.803 119.950 0.036 0.000 2.206 1756 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 1756 F C 2.122 177.949 175.800 0.044 0.000 1.090 1756 F CA 0.751 58.782 58.000 0.051 0.000 1.323 1756 F CB 0.073 39.067 39.000 -0.009 0.000 1.028 1756 F HN -0.233 nan 8.300 nan 0.000 0.492 1757 V N 1.089 120.970 119.914 -0.055 0.000 2.295 1757 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 1757 V C 2.456 178.446 176.094 -0.173 0.000 1.049 1757 V CA 2.365 64.525 62.300 -0.232 0.000 1.024 1757 V CB -0.756 30.878 31.823 -0.314 0.000 0.648 1757 V HN 0.328 nan 8.190 nan 0.000 0.447 1758 K N -0.412 119.953 120.400 -0.058 0.000 2.026 1758 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 1758 K C 2.203 178.787 176.600 -0.027 0.000 1.048 1758 K CA 1.993 58.265 56.287 -0.024 0.000 0.929 1758 K CB -0.346 32.174 32.500 0.033 0.000 0.713 1758 K HN 0.416 nan 8.250 nan 0.000 0.439 1759 F N 1.851 121.714 119.950 -0.145 0.000 2.095 1759 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 1759 F C 2.399 178.063 175.800 -0.226 0.000 1.104 1759 F CA 1.472 59.378 58.000 -0.157 0.000 1.232 1759 F CB -0.029 38.889 39.000 -0.137 0.000 0.987 1759 F HN 0.127 nan 8.300 nan 0.000 0.475 1760 Q N 0.619 120.132 119.800 -0.478 0.000 2.124 1760 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 1760 Q C 2.505 178.258 176.000 -0.411 0.000 0.977 1760 Q CA 1.591 57.047 55.803 -0.579 0.000 0.850 1760 Q CB -0.673 27.696 28.738 -0.615 0.000 0.901 1760 Q HN 0.526 nan 8.270 nan 0.000 0.429 1761 L N 0.562 121.608 121.223 -0.295 0.000 2.017 1761 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 1761 L C 2.329 179.076 176.870 -0.204 0.000 1.073 1761 L CA 1.382 56.099 54.840 -0.206 0.000 0.745 1761 L CB -0.325 41.654 42.059 -0.135 0.000 0.894 1761 L HN 0.261 nan 8.230 nan 0.000 0.432 1762 E N -0.068 120.003 120.200 -0.215 0.000 2.058 1762 E HA -0.304 4.045 4.350 -0.000 0.000 0.194 1762 E C 2.132 178.578 176.600 -0.256 0.000 0.997 1762 E CA 1.483 57.767 56.400 -0.193 0.000 0.801 1762 E CB -0.108 29.503 29.700 -0.148 0.000 0.746 1762 E HN 0.292 nan 8.360 nan 0.000 0.450 1763 K N 0.562 120.704 120.400 -0.430 0.000 2.160 1763 K HA -0.160 4.159 4.320 -0.000 0.000 0.206 1763 K C 1.157 177.601 176.600 -0.260 0.000 1.047 1763 K CA 1.364 57.395 56.287 -0.428 0.000 0.930 1763 K CB 0.100 32.188 32.500 -0.687 0.000 0.720 1763 K HN 0.047 nan 8.250 nan 0.000 0.450 1764 N N 0.901 119.459 118.700 -0.237 0.000 2.203 1764 N HA 0.020 4.760 4.740 -0.000 0.000 0.207 1764 N C -0.511 174.923 175.510 -0.127 0.000 1.130 1764 N CA 0.030 52.979 53.050 -0.169 0.000 0.861 1764 N CB 0.531 38.911 38.487 -0.179 0.000 1.005 1764 N HN 0.283 nan 8.380 nan 0.000 0.507 1785 D N 3.349 123.657 120.400 -0.154 0.000 2.559 1785 D HA 0.285 4.925 4.640 -0.000 0.000 0.234 1785 D C 0.106 176.293 176.300 -0.189 0.000 1.226 1785 D CA -0.061 53.856 54.000 -0.138 0.000 0.830 1785 D CB 0.435 41.178 40.800 -0.095 0.000 1.028 1785 D HN 0.267 nan 8.370 nan 0.000 0.492 1786 I N 1.472 121.869 120.570 -0.288 0.000 2.339 1786 I HA 0.140 4.310 4.170 -0.000 0.000 0.290 1786 I C 0.698 176.731 176.117 -0.141 0.000 0.994 1786 I CA -0.539 60.597 61.300 -0.273 0.000 1.191 1786 I CB 1.712 39.360 38.000 -0.587 0.000 1.343 1786 I HN -0.085 nan 8.210 nan 0.000 0.458 1787 E N 5.815 125.957 120.200 -0.095 0.000 2.344 1787 E HA 0.215 4.565 4.350 -0.000 0.000 0.270 1787 E C -1.045 175.463 176.600 -0.153 0.000 1.021 1787 E CA -0.442 55.896 56.400 -0.105 0.000 0.887 1787 E CB 1.174 30.815 29.700 -0.099 0.000 0.997 1787 E HN 0.332 nan 8.360 nan 0.000 0.429 1788 V N 7.623 127.396 119.914 -0.235 0.000 2.432 1788 V HA 0.209 4.328 4.120 -0.000 0.000 0.271 1788 V C -1.904 173.905 176.094 -0.474 0.000 1.046 1788 V CA -1.428 60.554 62.300 -0.529 0.000 0.945 1788 V CB 0.935 32.525 31.823 -0.389 0.000 0.992 1788 V HN 0.716 nan 8.190 nan 0.000 0.471 1789 P HA 0.272 nan 4.420 nan 0.000 0.279 1789 P C 0.279 177.374 177.300 -0.342 0.000 1.318 1789 P CA -0.390 62.481 63.100 -0.383 0.000 0.819 1789 P CB 0.761 32.247 31.700 -0.358 0.000 0.927 1790 K N 2.170 122.445 120.400 -0.208 0.000 2.147 1790 K HA -0.039 4.280 4.320 -0.000 0.000 0.205 1790 K C 1.371 177.908 176.600 -0.105 0.000 1.049 1790 K CA 0.731 56.941 56.287 -0.129 0.000 0.936 1790 K CB -0.168 32.306 32.500 -0.043 0.000 0.722 1790 K HN 0.532 nan 8.250 nan 0.000 0.446 1794 D N 1.520 121.891 120.400 -0.048 0.000 2.104 1794 D HA -0.103 4.536 4.640 -0.000 0.000 0.194 1794 D C 2.648 178.748 176.300 -0.333 0.000 0.994 1794 D CA 1.665 55.578 54.000 -0.145 0.000 0.830 1794 D CB -0.254 40.435 40.800 -0.185 0.000 0.959 1794 D HN 0.619 nan 8.370 nan 0.000 0.452 1795 I N -2.530 117.792 120.570 -0.414 0.000 2.761 1795 I HA -0.058 4.112 4.170 -0.000 0.000 0.261 1795 I C 2.124 178.223 176.117 -0.030 0.000 1.198 1795 I CA 0.531 61.596 61.300 -0.391 0.000 1.482 1795 I CB -0.358 37.361 38.000 -0.467 0.000 1.100 1795 I HN -0.223 nan 8.210 nan 0.000 0.445 1796 F N 2.701 122.579 119.950 -0.120 0.000 2.134 1796 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 1796 F C 2.388 178.160 175.800 -0.048 0.000 1.097 1796 F CA 1.891 59.865 58.000 -0.043 0.000 1.264 1796 F CB -0.182 38.699 39.000 -0.199 0.000 1.001 1796 F HN 0.128 nan 8.300 nan 0.000 0.479 1797 E N -0.584 119.558 120.200 -0.097 0.000 2.046 1797 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 1797 E C 2.363 178.854 176.600 -0.181 0.000 0.982 1797 E CA 1.451 57.714 56.400 -0.229 0.000 0.800 1797 E CB -0.360 29.272 29.700 -0.113 0.000 0.756 1797 E HN 0.459 nan 8.360 nan 0.000 0.449 1798 S N 1.354 116.974 115.700 -0.133 0.000 2.402 1798 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 1798 S C 2.103 176.684 174.600 -0.031 0.000 1.021 1798 S CA 0.623 58.781 58.200 -0.071 0.000 0.974 1798 S CB -0.311 62.839 63.200 -0.083 0.000 0.800 1798 S HN 0.136 nan 8.310 nan 0.000 0.484 1799 L N 2.027 123.239 121.223 -0.018 0.000 2.083 1799 L HA 0.153 4.493 4.340 -0.000 0.000 0.209 1799 L C 2.666 179.591 176.870 0.092 0.000 1.083 1799 L CA 1.532 56.463 54.840 0.152 0.000 0.752 1799 L CB -1.086 41.168 42.059 0.326 0.000 0.899 1799 L HN 0.358 nan 8.230 nan 0.000 0.433 1800 A N -0.493 122.205 122.820 -0.204 0.000 1.902 1800 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 1800 A C 2.353 179.816 177.584 -0.201 0.000 1.181 1800 A CA 1.611 53.362 52.037 -0.478 0.000 0.623 1800 A CB -1.609 16.861 19.000 -0.884 0.000 0.818 1800 A HN 0.514 nan 8.150 nan 0.000 0.443 1801 G N -0.590 108.125 108.800 -0.142 0.000 2.418 1801 G HA2 -0.006 3.953 3.960 -0.000 0.000 0.217 1801 G HA3 -0.006 3.953 3.960 -0.000 0.000 0.217 1801 G C 1.739 176.682 174.900 0.071 0.000 1.158 1801 G CA 1.506 46.571 45.100 -0.058 0.000 0.771 1801 G HN 0.812 nan 8.290 nan 0.000 0.545 1802 A N 0.776 123.672 122.820 0.127 0.000 1.902 1802 A HA 0.051 4.370 4.320 -0.000 0.000 0.217 1802 A C 2.405 180.189 177.584 0.334 0.000 1.181 1802 A CA 1.292 53.494 52.037 0.275 0.000 0.623 1802 A CB -0.352 18.893 19.000 0.409 0.000 0.818 1802 A HN 0.377 nan 8.150 nan 0.000 0.443 1803 I N -1.967 118.704 120.570 0.170 0.000 2.226 1803 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 1803 I C 1.753 177.797 176.117 -0.121 0.000 1.100 1803 I CA 0.667 61.826 61.300 -0.235 0.000 1.374 1803 I CB -0.468 37.273 38.000 -0.433 0.000 1.057 1803 I HN 0.515 nan 8.210 nan 0.000 0.413 1807 S N 0.167 115.878 115.700 0.018 0.000 2.577 1807 S HA 0.562 5.032 4.470 -0.000 0.000 0.219 1807 S C 1.209 175.762 174.600 -0.078 0.000 0.962 1807 S CA 0.590 58.787 58.200 -0.005 0.000 0.921 1807 S CB 0.379 63.555 63.200 -0.041 0.000 0.789 1807 S HN 0.766 nan 8.310 nan 0.000 0.497 1811 L N 3.142 124.441 121.223 0.127 0.000 2.131 1811 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 1811 L C 2.233 179.194 176.870 0.151 0.000 1.092 1811 L CA 1.315 56.265 54.840 0.183 0.000 0.759 1811 L CB -0.288 41.876 42.059 0.176 0.000 0.903 1811 L HN 0.586 nan 8.230 nan 0.000 0.435 1812 E N -0.165 120.103 120.200 0.113 0.000 2.051 1812 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 1812 E C 2.246 178.918 176.600 0.120 0.000 0.991 1812 E CA 1.121 57.595 56.400 0.123 0.000 0.799 1812 E CB -0.442 29.304 29.700 0.076 0.000 0.748 1812 E HN 0.178 nan 8.360 nan 0.000 0.449 1813 V N 0.208 120.161 119.914 0.064 0.000 2.358 1813 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 1813 V C 2.245 178.348 176.094 0.016 0.000 1.047 1813 V CA 1.299 63.617 62.300 0.030 0.000 1.035 1813 V CB -0.459 31.361 31.823 -0.005 0.000 0.658 1813 V HN 0.130 nan 8.190 nan 0.000 0.452 1814 V N -0.919 119.015 119.914 0.032 0.000 2.278 1814 V HA -0.357 3.763 4.120 -0.000 0.000 0.251 1814 V C 2.069 178.304 176.094 0.235 0.000 1.062 1814 V CA 2.705 65.037 62.300 0.053 0.000 1.038 1814 V CB -0.702 31.141 31.823 0.033 0.000 0.646 1814 V HN 0.757 nan 8.190 nan 0.000 0.447 1815 W N 0.017 121.333 121.300 0.027 0.000 2.467 1815 W HA -0.123 4.536 4.660 -0.000 0.000 0.275 1815 W C 2.479 179.057 176.519 0.097 0.000 1.239 1815 W CA 0.913 58.309 57.345 0.085 0.000 1.266 1815 W CB 0.065 29.566 29.460 0.067 0.000 1.112 1815 W HN 0.360 nan 8.180 nan 0.000 0.576 1816 Q N -0.194 119.681 119.800 0.124 0.000 2.135 1816 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 1816 Q C 2.014 177.994 176.000 -0.032 0.000 0.981 1816 Q CA 2.014 57.818 55.803 0.000 0.000 0.856 1816 Q CB -0.359 28.395 28.738 0.026 0.000 0.902 1816 Q HN 0.174 nan 8.270 nan 0.000 0.425 1817 V N -0.936 118.982 119.914 0.008 0.000 2.446 1817 V HA -0.194 3.925 4.120 -0.000 0.000 0.244 1817 V C 1.492 177.508 176.094 -0.130 0.000 1.039 1817 V CA 1.499 63.777 62.300 -0.036 0.000 1.045 1817 V CB -0.459 31.357 31.823 -0.012 0.000 0.681 1817 V HN 0.337 nan 8.190 nan 0.000 0.459 1818 Y N -1.471 118.715 120.300 -0.190 0.000 2.365 1818 Y HA -0.129 4.420 4.550 -0.000 0.000 0.293 1818 Y C 2.371 177.971 175.900 -0.501 0.000 1.119 1818 Y CA 1.544 59.496 58.100 -0.247 0.000 1.203 1818 Y CB -0.207 38.219 38.460 -0.056 0.000 1.026 1818 Y HN 0.290 nan 8.280 nan 0.000 0.549 1819 Y N 1.492 121.245 120.300 -0.912 0.000 2.128 1819 Y HA -0.100 4.450 4.550 -0.000 0.000 0.284 1819 Y C -1.373 174.177 175.900 -0.582 0.000 1.154 1819 Y CA 0.389 57.745 58.100 -1.241 0.000 1.149 1819 Y CB -1.439 36.214 38.460 -1.344 0.000 0.976 1819 Y HN -0.029 nan 8.280 nan 0.000 0.505 1824 P HA -0.072 nan 4.420 nan 0.000 0.217 1824 P C 1.596 178.870 177.300 -0.045 0.000 1.151 1824 P CA 0.944 63.995 63.100 -0.082 0.000 0.828 1824 P CB -0.017 31.656 31.700 -0.044 0.000 0.788 1825 L N -0.815 120.362 121.223 -0.077 0.000 2.072 1825 L HA -0.040 4.300 4.340 -0.000 0.000 0.205 1825 L C 2.131 178.915 176.870 -0.143 0.000 1.079 1825 L CA 1.536 56.313 54.840 -0.104 0.000 0.752 1825 L CB -1.119 40.823 42.059 -0.195 0.000 0.906 1825 L HN -0.139 nan 8.230 nan 0.000 0.436 1826 I N -0.410 120.070 120.570 -0.151 0.000 2.208 1826 I HA -0.283 3.886 4.170 -0.000 0.000 0.245 1826 I C 2.461 178.613 176.117 0.057 0.000 1.097 1826 I CA 1.507 62.751 61.300 -0.094 0.000 1.363 1826 I CB -0.301 37.610 38.000 -0.147 0.000 1.051 1826 I HN 0.326 nan 8.210 nan 0.000 0.413 1827 E N 1.617 121.848 120.200 0.052 0.000 2.077 1827 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 1827 E C 2.081 178.765 176.600 0.140 0.000 0.989 1827 E CA 1.574 58.046 56.400 0.119 0.000 0.800 1827 E CB -0.165 29.585 29.700 0.083 0.000 0.746 1827 E HN 0.287 nan 8.360 nan 0.000 0.452 1828 K N -0.921 119.564 120.400 0.142 0.000 2.026 1828 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 1828 K C 1.912 178.670 176.600 0.263 0.000 1.048 1828 K CA 1.543 57.940 56.287 0.183 0.000 0.929 1828 K CB -0.347 32.270 32.500 0.195 0.000 0.713 1828 K HN 0.118 nan 8.250 nan 0.000 0.439 1829 F N 1.434 121.390 119.950 0.009 0.000 2.134 1829 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 1829 F C 2.623 178.428 175.800 0.008 0.000 1.097 1829 F CA 1.157 59.157 58.000 0.000 0.000 1.264 1829 F CB -0.708 38.285 39.000 -0.011 0.000 1.001 1829 F HN 0.043 nan 8.300 nan 0.000 0.479 1830 S N -0.343 115.501 115.700 0.239 0.000 2.402 1830 S HA -0.085 4.384 4.470 -0.000 0.000 0.229 1830 S C 2.264 176.982 174.600 0.195 0.000 1.021 1830 S CA 0.879 59.194 58.200 0.192 0.000 0.974 1830 S CB -0.533 62.831 63.200 0.272 0.000 0.800 1830 S HN 0.339 nan 8.310 nan 0.000 0.484 1831 A N 2.099 125.010 122.820 0.152 0.000 2.067 1831 A HA -0.019 4.300 4.320 -0.000 0.000 0.217 1831 A C 1.568 179.193 177.584 0.068 0.000 1.156 1831 A CA 1.231 53.332 52.037 0.107 0.000 0.683 1831 A CB -0.538 18.512 19.000 0.085 0.000 0.808 1831 A HN 0.755 nan 8.150 nan 0.000 0.455 1832 N N -0.755 117.971 118.700 0.044 0.000 2.187 1832 N HA 0.198 4.938 4.740 -0.000 0.000 0.212 1832 N C 0.128 175.622 175.510 -0.028 0.000 1.152 1832 N CA 0.274 53.320 53.050 -0.007 0.000 0.872 1832 N CB 0.387 38.845 38.487 -0.047 0.000 1.025 1832 N HN 0.211 nan 8.380 nan 0.000 0.514 1833 V N -2.570 117.343 119.914 -0.001 0.000 3.083 1833 V HA 0.554 4.674 4.120 -0.000 0.000 0.306 1833 V C -2.317 173.790 176.094 0.022 0.000 1.077 1833 V CA -2.162 60.132 62.300 -0.010 0.000 1.073 1833 V CB 0.268 32.078 31.823 -0.023 0.000 1.081 1833 V HN -0.067 nan 8.190 nan 0.000 0.474 1834 P HA 0.145 nan 4.420 nan 0.000 0.265 1834 P C -0.429 176.905 177.300 0.056 0.000 1.193 1834 P CA 0.140 63.255 63.100 0.025 0.000 0.765 1834 P CB 0.237 31.947 31.700 0.016 0.000 0.823 1835 R N 1.607 122.135 120.500 0.045 0.000 2.594 1835 R HA 0.155 4.495 4.340 -0.000 0.000 0.272 1835 R C 0.666 176.988 176.300 0.037 0.000 1.074 1835 R CA -0.146 55.983 56.100 0.047 0.000 1.105 1835 R CB -0.095 30.218 30.300 0.022 0.000 1.008 1835 R HN 0.432 nan 8.270 nan 0.000 0.472 1836 S N 3.207 118.925 115.700 0.030 0.000 2.516 1836 S HA 0.104 4.573 4.470 -0.000 0.000 0.282 1836 S C -1.385 173.218 174.600 0.004 0.000 1.286 1836 S CA -1.234 56.973 58.200 0.011 0.000 1.066 1836 S CB 0.687 63.876 63.200 -0.018 0.000 0.884 1836 S HN 0.323 nan 8.310 nan 0.000 0.491 1837 P HA -0.057 nan 4.420 nan 0.000 0.219 1837 P C 1.576 178.901 177.300 0.042 0.000 1.150 1837 P CA 0.570 63.682 63.100 0.020 0.000 0.814 1837 P CB -0.108 31.607 31.700 0.025 0.000 0.787 1838 V N 0.762 120.700 119.914 0.039 0.000 2.261 1838 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 1838 V C 2.855 178.973 176.094 0.040 0.000 1.047 1838 V CA 2.157 64.496 62.300 0.064 0.000 1.015 1838 V CB -1.104 30.673 31.823 -0.077 0.000 0.642 1838 V HN 0.048 nan 8.190 nan 0.000 0.446 1839 R N 0.576 121.068 120.500 -0.014 0.000 2.081 1839 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 1839 R C 2.274 178.569 176.300 -0.009 0.000 1.131 1839 R CA 2.177 58.260 56.100 -0.028 0.000 0.960 1839 R CB -0.591 29.670 30.300 -0.066 0.000 0.856 1839 R HN 0.657 nan 8.270 nan 0.000 0.436 1840 E N -0.411 119.786 120.200 -0.004 0.000 2.077 1840 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 1840 E C 1.803 178.404 176.600 0.001 0.000 0.989 1840 E CA 1.351 57.749 56.400 -0.004 0.000 0.800 1840 E CB -0.172 29.525 29.700 -0.006 0.000 0.746 1840 E HN 0.296 nan 8.360 nan 0.000 0.452 1841 L N 0.921 122.153 121.223 0.015 0.000 2.017 1841 L HA -0.156 4.183 4.340 -0.000 0.000 0.208 1841 L C 2.147 179.030 176.870 0.022 0.000 1.073 1841 L CA 1.605 56.450 54.840 0.009 0.000 0.745 1841 L CB -0.375 41.702 42.059 0.030 0.000 0.894 1841 L HN 0.223 nan 8.230 nan 0.000 0.432 1842 L N -0.846 120.409 121.223 0.052 0.000 2.275 1842 L HA -0.073 4.267 4.340 -0.000 0.000 0.215 1842 L C 1.360 178.240 176.870 0.018 0.000 1.119 1842 L CA 0.184 55.053 54.840 0.048 0.000 0.790 1842 L CB -0.470 41.629 42.059 0.066 0.000 0.919 1842 L HN 0.343 nan 8.230 nan 0.000 0.443 1846 P HA -0.148 nan 4.420 nan 0.000 0.217 1846 P C 1.016 178.330 177.300 0.023 0.000 1.151 1846 P CA 1.394 64.506 63.100 0.019 0.000 0.828 1846 P CB 0.445 32.152 31.700 0.012 0.000 0.788 1847 E N -0.383 119.827 120.200 0.015 0.000 2.476 1847 E HA 0.020 4.370 4.350 -0.000 0.000 0.199 1847 E C 1.058 177.665 176.600 0.012 0.000 1.021 1847 E CA 0.824 57.234 56.400 0.016 0.000 0.907 1847 E CB -0.984 28.724 29.700 0.012 0.000 0.974 1847 E HN 0.255 nan 8.360 nan 0.000 0.489 1848 T N -1.805 112.754 114.554 0.007 0.000 3.022 1848 T HA 0.504 4.853 4.350 -0.000 0.000 0.250 1848 T C 0.869 175.561 174.700 -0.014 0.000 1.060 1848 T CA 0.142 62.242 62.100 -0.000 0.000 1.013 1848 T CB 0.358 69.227 68.868 0.001 0.000 0.982 1848 T HN 0.246 nan 8.240 nan 0.000 0.508 1849 A N 1.793 124.599 122.820 -0.023 0.000 2.249 1849 A HA 0.664 4.984 4.320 -0.000 0.000 0.314 1849 A C -0.250 177.280 177.584 -0.090 0.000 1.290 1849 A CA -0.786 51.199 52.037 -0.088 0.000 0.893 1849 A CB 0.596 19.535 19.000 -0.103 0.000 1.165 1849 A HN 0.334 nan 8.150 nan 0.000 0.530 1850 K N 2.580 122.892 120.400 -0.147 0.000 2.463 1850 K HA 0.434 4.754 4.320 -0.000 0.000 0.255 1850 K C -1.620 174.899 176.600 -0.135 0.000 0.942 1850 K CA -0.223 56.034 56.287 -0.050 0.000 0.814 1850 K CB 1.930 34.433 32.500 0.005 0.000 1.122 1850 K HN 0.597 nan 8.250 nan 0.000 0.425 1851 F N 1.581 121.561 119.950 0.049 0.000 2.396 1851 F HA 0.106 4.633 4.527 -0.000 0.000 0.343 1851 F C 1.456 177.301 175.800 0.076 0.000 1.104 1851 F CA -0.213 57.829 58.000 0.070 0.000 1.161 1851 F CB 1.168 40.212 39.000 0.072 0.000 1.146 1851 F HN 0.459 nan 8.300 nan 0.000 0.522 1852 S N 3.022 118.849 115.700 0.212 0.000 2.645 1852 S HA 0.539 5.009 4.470 -0.000 0.000 0.266 1852 S C -2.601 172.104 174.600 0.176 0.000 1.258 1852 S CA -1.388 56.898 58.200 0.143 0.000 0.990 1852 S CB 0.568 63.817 63.200 0.082 0.000 0.967 1852 S HN 0.282 nan 8.310 nan 0.000 0.556 1853 P HA 0.299 nan 4.420 nan 0.000 0.269 1853 P C -0.597 176.688 177.300 -0.025 0.000 1.215 1853 P CA -0.168 62.977 63.100 0.075 0.000 0.780 1853 P CB 0.095 31.812 31.700 0.028 0.000 0.898 1854 A N 2.018 124.698 122.820 -0.234 0.000 2.445 1854 A HA 0.318 4.638 4.320 -0.000 0.000 0.242 1854 A C 0.369 177.805 177.584 -0.246 0.000 1.075 1854 A CA -0.048 51.715 52.037 -0.457 0.000 0.777 1854 A CB -0.253 18.089 19.000 -1.096 0.000 1.013 1854 A HN 0.657 nan 8.150 nan 0.000 0.493 1855 E N 2.234 122.321 120.200 -0.188 0.000 2.266 1855 E HA 0.540 4.890 4.350 -0.000 0.000 0.268 1855 E C -0.947 175.569 176.600 -0.138 0.000 0.879 1855 E CA -0.942 55.373 56.400 -0.141 0.000 0.762 1855 E CB 1.421 31.058 29.700 -0.105 0.000 1.199 1855 E HN 0.619 nan 8.360 nan 0.000 0.422 1856 R N 1.160 121.582 120.500 -0.131 0.000 2.410 1856 R HA 0.286 4.626 4.340 -0.000 0.000 0.288 1856 R C 0.123 176.338 176.300 -0.142 0.000 1.051 1856 R CA -0.217 55.813 56.100 -0.116 0.000 1.021 1856 R CB 1.462 31.705 30.300 -0.094 0.000 1.032 1856 R HN 0.763 nan 8.270 nan 0.000 0.481 1857 T N -1.410 113.078 114.554 -0.110 0.000 2.936 1857 T HA 0.169 4.519 4.350 -0.000 0.000 0.282 1857 T C 1.050 175.698 174.700 -0.087 0.000 1.003 1857 T CA -0.653 61.365 62.100 -0.136 0.000 1.005 1857 T CB 0.594 69.435 68.868 -0.045 0.000 1.097 1857 T HN 0.446 nan 8.240 nan 0.000 0.532 1858 Y N 1.098 121.394 120.300 -0.006 0.000 2.193 1858 Y HA -0.071 4.479 4.550 -0.000 0.000 0.285 1858 Y C 2.213 178.111 175.900 -0.002 0.000 1.166 1858 Y CA 1.954 60.052 58.100 -0.004 0.000 1.181 1858 Y CB -0.495 37.963 38.460 -0.002 0.000 0.976 1858 Y HN 0.773 nan 8.280 nan 0.000 0.520 1859 D N -1.418 119.079 120.400 0.162 0.000 2.352 1859 D HA 0.153 4.793 4.640 -0.000 0.000 0.236 1859 D C 1.545 177.877 176.300 0.052 0.000 1.148 1859 D CA 0.599 54.653 54.000 0.091 0.000 0.844 1859 D CB -0.518 40.327 40.800 0.074 0.000 0.933 1859 D HN 0.315 nan 8.370 nan 0.000 0.507 1860 G N 0.250 109.073 108.800 0.039 0.000 2.176 1860 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.252 1860 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.252 1860 G C 0.196 175.101 174.900 0.009 0.000 1.024 1860 G CA 0.110 45.221 45.100 0.018 0.000 0.755 1860 G HN 0.345 nan 8.290 nan 0.000 0.507 1861 K N -0.888 119.516 120.400 0.005 0.000 2.267 1861 K HA 0.798 5.118 4.320 -0.000 0.000 0.236 1861 K C 0.274 176.861 176.600 -0.021 0.000 1.030 1861 K CA -0.869 55.419 56.287 0.003 0.000 0.930 1861 K CB 1.462 33.970 32.500 0.015 0.000 1.182 1861 K HN 0.171 nan 8.250 nan 0.000 0.474 1862 V N 1.137 121.040 119.914 -0.018 0.000 2.513 1862 V HA 0.438 4.558 4.120 -0.000 0.000 0.299 1862 V C -0.020 176.058 176.094 -0.027 0.000 1.035 1862 V CA -0.898 61.369 62.300 -0.054 0.000 0.889 1862 V CB 1.668 33.448 31.823 -0.072 0.000 0.988 1862 V HN 0.574 nan 8.190 nan 0.000 0.440 1863 R N 3.030 123.500 120.500 -0.049 0.000 2.562 1863 R HA 0.834 5.174 4.340 -0.000 0.000 0.298 1863 R C -1.822 174.478 176.300 0.001 0.000 0.961 1863 R CA -0.348 55.746 56.100 -0.009 0.000 0.881 1863 R CB 1.979 32.267 30.300 -0.021 0.000 1.159 1863 R HN 0.552 nan 8.270 nan 0.000 0.450 1864 V N 2.485 122.444 119.914 0.075 0.000 2.876 1864 V HA 0.441 4.561 4.120 -0.000 0.000 0.312 1864 V C -0.548 175.630 176.094 0.141 0.000 1.085 1864 V CA -0.770 61.613 62.300 0.138 0.000 0.945 1864 V CB 2.492 34.483 31.823 0.281 0.000 1.017 1864 V HN 0.844 nan 8.190 nan 0.000 0.428 1865 T N 2.847 117.475 114.554 0.122 0.000 2.823 1865 T HA 0.544 4.894 4.350 -0.000 0.000 0.279 1865 T C -0.749 173.982 174.700 0.051 0.000 0.998 1865 T CA -0.330 61.819 62.100 0.080 0.000 0.994 1865 T CB 1.791 70.677 68.868 0.029 0.000 0.960 1865 T HN 0.487 nan 8.240 nan 0.000 0.448 1866 V N 3.142 123.044 119.914 -0.020 0.000 2.398 1866 V HA 0.493 4.613 4.120 -0.000 0.000 0.286 1866 V C -0.291 175.760 176.094 -0.072 0.000 1.026 1866 V CA -0.715 61.425 62.300 -0.266 0.000 0.868 1866 V CB 1.437 32.844 31.823 -0.694 0.000 0.982 1866 V HN 0.945 nan 8.190 nan 0.000 0.443 1867 E N 4.631 124.769 120.200 -0.103 0.000 2.156 1867 E HA 0.563 4.913 4.350 -0.000 0.000 0.279 1867 E C -1.478 175.113 176.600 -0.014 0.000 0.965 1867 E CA -0.549 55.834 56.400 -0.029 0.000 0.789 1867 E CB 1.825 31.500 29.700 -0.041 0.000 1.098 1867 E HN 0.560 nan 8.360 nan 0.000 0.397 1868 V N 5.693 125.657 119.914 0.085 0.000 2.334 1868 V HA 0.151 4.271 4.120 -0.000 0.000 0.281 1868 V C -0.150 175.978 176.094 0.056 0.000 1.016 1868 V CA -0.905 61.434 62.300 0.064 0.000 0.832 1868 V CB 1.406 33.295 31.823 0.109 0.000 0.999 1868 V HN 0.580 nan 8.190 nan 0.000 0.439 1869 V N 5.268 125.194 119.914 0.020 0.000 2.584 1869 V HA 0.308 4.428 4.120 -0.000 0.000 0.303 1869 V C 1.556 177.663 176.094 0.022 0.000 1.035 1869 V CA 1.832 64.139 62.300 0.013 0.000 1.172 1869 V CB 0.067 31.893 31.823 0.005 0.000 0.896 1869 V HN 1.283 nan 8.190 nan 0.000 0.486 1870 G N 4.127 112.938 108.800 0.018 0.000 2.213 1870 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.236 1870 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.236 1870 G C 0.828 175.749 174.900 0.036 0.000 0.991 1870 G CA 0.355 45.467 45.100 0.020 0.000 0.629 1870 G HN 0.588 nan 8.290 nan 0.000 0.517 1871 K N -0.109 120.329 120.400 0.065 0.000 2.511 1871 K HA 0.466 4.785 4.320 -0.000 0.000 0.206 1871 K C 1.249 177.893 176.600 0.072 0.000 1.333 1871 K CA 1.214 57.577 56.287 0.127 0.000 0.957 1871 K CB 1.587 34.220 32.500 0.222 0.000 1.172 1871 K HN 1.563 nan 8.250 nan 0.000 0.547 1872 G N 1.697 110.487 108.800 -0.017 0.000 2.384 1872 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.204 1872 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.204 1872 G C -1.477 173.200 174.900 -0.372 0.000 1.237 1872 G CA -0.834 44.130 45.100 -0.226 0.000 1.060 1872 G HN 0.028 nan 8.290 nan 0.000 0.514 1873 K N -0.617 119.408 120.400 -0.625 0.000 2.259 1873 K HA 0.726 5.046 4.320 -0.000 0.000 0.252 1873 K C -1.471 174.654 176.600 -0.792 0.000 0.936 1873 K CA -0.486 55.525 56.287 -0.461 0.000 0.810 1873 K CB 1.796 34.158 32.500 -0.231 0.000 1.143 1873 K HN 0.332 nan 8.250 nan 0.000 0.427 1874 F N 1.314 121.236 119.950 -0.048 0.000 2.561 1874 F HA 0.401 4.928 4.527 -0.000 0.000 0.313 1874 F C -0.074 175.718 175.800 -0.014 0.000 1.126 1874 F CA -0.998 56.985 58.000 -0.029 0.000 0.918 1874 F CB 1.775 40.754 39.000 -0.035 0.000 1.199 1874 F HN 0.087 nan 8.300 nan 0.000 0.444 1875 K N 1.589 122.079 120.400 0.149 0.000 2.123 1875 K HA 0.801 5.121 4.320 -0.000 0.000 0.259 1875 K C -0.146 176.525 176.600 0.119 0.000 0.960 1875 K CA -0.917 55.433 56.287 0.105 0.000 0.872 1875 K CB 2.153 34.686 32.500 0.055 0.000 1.079 1875 K HN 0.849 nan 8.250 nan 0.000 0.440 1876 G N 0.711 109.580 108.800 0.115 0.000 2.591 1876 G HA2 0.572 4.532 3.960 -0.000 0.000 0.306 1876 G HA3 0.572 4.532 3.960 -0.000 0.000 0.306 1876 G C -1.367 173.586 174.900 0.087 0.000 1.334 1876 G CA -0.427 44.737 45.100 0.108 0.000 0.981 1876 G HN 0.315 nan 8.290 nan 0.000 0.491 1877 V N 0.232 120.188 119.914 0.070 0.000 2.876 1877 V HA 1.002 5.122 4.120 -0.000 0.000 0.312 1877 V C 0.538 176.664 176.094 0.054 0.000 1.085 1877 V CA 0.143 62.476 62.300 0.054 0.000 0.945 1877 V CB 1.776 33.623 31.823 0.041 0.000 1.017 1877 V HN 1.355 nan 8.190 nan 0.000 0.428 1878 G N 2.584 111.413 108.800 0.049 0.000 2.550 1878 G HA2 0.445 4.404 3.960 -0.000 0.000 0.293 1878 G HA3 0.445 4.404 3.960 -0.000 0.000 0.293 1878 G C -0.087 174.837 174.900 0.040 0.000 1.402 1878 G CA -0.305 44.823 45.100 0.047 0.000 0.784 1878 G HN 0.782 nan 8.290 nan 0.000 0.482 1879 R N -1.122 119.401 120.500 0.038 0.000 2.323 1879 R HA 0.293 4.633 4.340 -0.000 0.000 0.198 1879 R C 0.699 177.022 176.300 0.039 0.000 0.988 1879 R CA 1.006 57.125 56.100 0.033 0.000 1.041 1879 R CB -0.176 30.141 30.300 0.029 0.000 0.926 1879 R HN 0.622 nan 8.270 nan 0.000 0.476 1880 S N -2.195 113.538 115.700 0.055 0.000 2.607 1880 S HA 0.122 4.592 4.470 -0.000 0.000 0.273 1880 S C 0.141 174.823 174.600 0.137 0.000 1.148 1880 S CA -1.085 57.163 58.200 0.079 0.000 0.833 1880 S CB 0.678 63.919 63.200 0.069 0.000 1.130 1880 S HN 0.202 nan 8.310 nan 0.000 0.470 1881 Y N 1.260 121.556 120.300 -0.006 0.000 2.165 1881 Y HA -0.195 4.354 4.550 -0.000 0.000 0.286 1881 Y C 2.813 178.697 175.900 -0.027 0.000 1.155 1881 Y CA 1.724 59.816 58.100 -0.013 0.000 1.164 1881 Y CB -0.113 38.335 38.460 -0.020 0.000 0.978 1881 Y HN 0.853 nan 8.280 nan 0.000 0.513 1882 R N 0.732 121.287 120.500 0.091 0.000 2.083 1882 R HA -0.223 4.117 4.340 -0.000 0.000 0.237 1882 R C 2.046 178.354 176.300 0.014 0.000 1.137 1882 R CA 2.309 58.393 56.100 -0.028 0.000 0.951 1882 R CB -0.556 29.725 30.300 -0.031 0.000 0.851 1882 R HN 0.440 nan 8.270 nan 0.000 0.434 1883 I N 0.861 121.461 120.570 0.051 0.000 2.252 1883 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 1883 I C 2.661 178.823 176.117 0.075 0.000 1.102 1883 I CA 1.180 62.511 61.300 0.051 0.000 1.385 1883 I CB -0.418 37.611 38.000 0.048 0.000 1.064 1883 I HN 0.344 nan 8.210 nan 0.000 0.414 1884 A N 0.974 123.859 122.820 0.109 0.000 1.883 1884 A HA -0.253 4.066 4.320 -0.000 0.000 0.217 1884 A C 2.336 180.020 177.584 0.166 0.000 1.186 1884 A CA 1.807 53.924 52.037 0.134 0.000 0.624 1884 A CB -0.508 18.582 19.000 0.151 0.000 0.822 1884 A HN 0.325 nan 8.150 nan 0.000 0.444 1885 K N -0.191 120.304 120.400 0.158 0.000 2.026 1885 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 1885 K C 2.397 179.090 176.600 0.155 0.000 1.048 1885 K CA 1.570 57.937 56.287 0.134 0.000 0.929 1885 K CB -0.272 32.110 32.500 -0.197 0.000 0.713 1885 K HN 0.454 nan 8.250 nan 0.000 0.439 1886 S N 1.035 116.774 115.700 0.066 0.000 2.370 1886 S HA -0.170 4.299 4.470 -0.000 0.000 0.226 1886 S C 2.155 176.807 174.600 0.086 0.000 1.033 1886 S CA 1.301 59.538 58.200 0.061 0.000 1.011 1886 S CB -0.262 62.954 63.200 0.027 0.000 0.852 1886 S HN 0.442 nan 8.310 nan 0.000 0.457 1887 A N 1.639 124.514 122.820 0.090 0.000 1.877 1887 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 1887 A C 2.373 180.017 177.584 0.101 0.000 1.186 1887 A CA 1.782 53.869 52.037 0.083 0.000 0.620 1887 A CB -1.138 17.910 19.000 0.081 0.000 0.822 1887 A HN 0.523 nan 8.150 nan 0.000 0.443 1888 A N -0.199 122.711 122.820 0.151 0.000 1.873 1888 A HA 0.189 4.508 4.320 -0.000 0.000 0.215 1888 A C 2.522 180.169 177.584 0.105 0.000 1.186 1888 A CA 2.067 54.202 52.037 0.164 0.000 0.616 1888 A CB -1.077 18.061 19.000 0.231 0.000 0.823 1888 A HN 1.093 nan 8.150 nan 0.000 0.442 1889 A N -0.392 122.526 122.820 0.164 0.000 1.940 1889 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 1889 A C 2.247 179.816 177.584 -0.026 0.000 1.176 1889 A CA 1.801 53.888 52.037 0.084 0.000 0.631 1889 A CB -0.499 18.629 19.000 0.213 0.000 0.814 1889 A HN 0.554 nan 8.150 nan 0.000 0.446 1890 R N -0.582 119.919 120.500 0.003 0.000 2.096 1890 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 1890 R C 2.405 178.659 176.300 -0.077 0.000 1.127 1890 R CA 1.360 57.444 56.100 -0.026 0.000 0.968 1890 R CB -0.212 30.092 30.300 0.006 0.000 0.861 1890 R HN 0.518 nan 8.270 nan 0.000 0.440 1891 R N -0.285 120.172 120.500 -0.072 0.000 2.081 1891 R HA -0.075 4.264 4.340 -0.000 0.000 0.235 1891 R C 2.303 178.332 176.300 -0.451 0.000 1.131 1891 R CA 1.354 57.391 56.100 -0.106 0.000 0.960 1891 R CB -0.310 30.030 30.300 0.067 0.000 0.856 1891 R HN 0.239 nan 8.270 nan 0.000 0.436 1892 A N 1.290 123.678 122.820 -0.720 0.000 1.902 1892 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 1892 A C 2.205 179.409 177.584 -0.634 0.000 1.181 1892 A CA 1.071 52.331 52.037 -1.295 0.000 0.623 1892 A CB -0.531 17.970 19.000 -0.831 0.000 0.818 1892 A HN 0.174 nan 8.150 nan 0.000 0.443 1893 L N -0.913 120.110 121.223 -0.334 0.000 2.042 1893 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 1893 L C 2.818 179.594 176.870 -0.157 0.000 1.076 1893 L CA 1.897 56.624 54.840 -0.188 0.000 0.749 1893 L CB -0.443 41.552 42.059 -0.108 0.000 0.893 1893 L HN 0.531 nan 8.230 nan 0.000 0.432 1894 R N -0.435 119.973 120.500 -0.154 0.000 2.091 1894 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 1894 R C 2.517 178.770 176.300 -0.078 0.000 1.136 1894 R CA 1.902 57.948 56.100 -0.090 0.000 0.959 1894 R CB -0.309 29.956 30.300 -0.059 0.000 0.856 1894 R HN 0.214 nan 8.270 nan 0.000 0.437 1895 S N 0.230 115.855 115.700 -0.126 0.000 2.368 1895 S HA -0.083 4.387 4.470 -0.000 0.000 0.225 1895 S C 1.997 176.574 174.600 -0.038 0.000 1.030 1895 S CA 1.149 59.328 58.200 -0.036 0.000 0.999 1895 S CB -0.211 63.021 63.200 0.054 0.000 0.844 1895 S HN 0.404 nan 8.310 nan 0.000 0.459 1896 L N 0.958 122.122 121.223 -0.098 0.000 2.042 1896 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 1896 L C 2.666 179.515 176.870 -0.036 0.000 1.076 1896 L CA 1.570 56.375 54.840 -0.058 0.000 0.749 1896 L CB -0.389 41.620 42.059 -0.083 0.000 0.893 1896 L HN 0.308 nan 8.230 nan 0.000 0.432 1897 K N -0.343 120.031 120.400 -0.043 0.000 2.103 1897 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 1897 K C 2.213 178.805 176.600 -0.014 0.000 1.052 1897 K CA 1.110 57.382 56.287 -0.027 0.000 0.945 1897 K CB -0.241 32.241 32.500 -0.029 0.000 0.722 1897 K HN 0.264 nan 8.250 nan 0.000 0.443 1898 A N 2.011 124.825 122.820 -0.011 0.000 1.940 1898 A HA -0.220 4.099 4.320 -0.000 0.000 0.219 1898 A C 0.849 178.436 177.584 0.005 0.000 1.176 1898 A CA 1.225 53.263 52.037 0.001 0.000 0.631 1898 A CB -0.615 18.391 19.000 0.010 0.000 0.814 1898 A HN 0.517 nan 8.150 nan 0.000 0.446 1899 N N -0.266 118.438 118.700 0.006 0.000 2.667 1899 N HA -0.186 4.554 4.740 -0.000 0.000 0.263 1899 N C -0.177 175.341 175.510 0.013 0.000 1.038 1899 N CA 1.251 54.306 53.050 0.009 0.000 0.749 1899 N CB -1.603 36.886 38.487 0.004 0.000 0.892 1899 N HN 0.725 nan 8.380 nan 0.000 0.546 1900 Q N 0.000 119.813 119.800 0.021 0.000 2.315 1900 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1900 Q CA 0.000 55.816 55.803 0.021 0.000 1.022 1900 Q CB 0.000 28.748 28.738 0.017 0.000 1.108 1900 Q HN 0.000 nan 8.270 nan 0.000 0.481