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 2was_1_B DATA FIRST_RESID 1767 DATA SEQUENCE GGVGVDVELI TSINVENDTF IERNFTPQEI EYCSAQPSVQ SSFAGTWSAK DATA SEQUENCE EAVFKSLGVK SLGGGAALKD IEIVRTXXNA PAVELHGNAK KAAEEAGVTD DATA SEQUENCE VKVSISHDDL QAVAVAVSTK 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 1767 G HA2 0.000 nan 3.960 nan 0.000 0.244 1767 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1767 G C 0.000 174.878 174.900 -0.036 0.000 0.946 1767 G CA 0.000 45.083 45.100 -0.028 0.000 0.502 1768 G N -0.922 107.854 108.800 -0.040 0.000 2.717 1768 G HA2 0.692 4.652 3.960 0.001 0.000 0.300 1768 G HA3 0.692 4.652 3.960 0.001 0.000 0.300 1768 G C -1.824 173.047 174.900 -0.048 0.000 1.424 1768 G CA -0.017 45.053 45.100 -0.051 0.000 1.033 1768 G HN 1.652 nan 8.290 nan 0.000 0.577 1769 V N 0.936 120.819 119.914 -0.051 0.000 2.841 1769 V HA 0.998 5.119 4.120 0.001 0.000 0.310 1769 V C -0.021 176.043 176.094 -0.051 0.000 1.090 1769 V CA 0.303 62.577 62.300 -0.043 0.000 0.930 1769 V CB 2.205 34.010 31.823 -0.031 0.000 1.014 1769 V HN 1.663 nan 8.190 nan 0.000 0.425 1770 G N 3.253 112.027 108.800 -0.043 0.000 2.682 1770 G HA2 0.657 4.617 3.960 0.001 0.000 0.300 1770 G HA3 0.657 4.617 3.960 0.001 0.000 0.300 1770 G C -1.953 172.934 174.900 -0.021 0.000 1.391 1770 G CA -0.395 44.680 45.100 -0.043 0.000 0.990 1770 G HN 1.123 nan 8.290 nan 0.000 0.501 1771 V N 0.734 120.642 119.914 -0.010 0.000 2.876 1771 V HA 0.838 4.958 4.120 0.001 0.000 0.312 1771 V C -1.707 174.398 176.094 0.019 0.000 1.085 1771 V CA -0.759 61.545 62.300 0.007 0.000 0.945 1771 V CB 2.438 34.267 31.823 0.011 0.000 1.017 1771 V HN 0.880 nan 8.190 nan 0.000 0.428 1772 D N 2.930 123.349 120.400 0.033 0.000 2.990 1772 D HA 0.570 5.210 4.640 0.001 0.000 0.227 1772 D C -1.835 174.514 176.300 0.081 0.000 1.249 1772 D CA -0.181 53.851 54.000 0.054 0.000 0.891 1772 D CB 2.351 43.174 40.800 0.039 0.000 1.647 1772 D HN 0.518 nan 8.370 nan 0.000 0.530 1773 V N 3.345 123.317 119.914 0.096 0.000 2.540 1773 V HA 0.639 4.760 4.120 0.001 0.000 0.302 1773 V C -1.338 174.838 176.094 0.137 0.000 1.035 1773 V CA -0.280 62.084 62.300 0.106 0.000 0.873 1773 V CB 1.699 33.570 31.823 0.080 0.000 0.992 1773 V HN 0.549 nan 8.190 nan 0.000 0.428 1774 E N 4.641 124.935 120.200 0.156 0.000 2.293 1774 E HA 0.404 4.754 4.350 0.001 0.000 0.270 1774 E C -1.250 175.423 176.600 0.121 0.000 0.879 1774 E CA -0.831 55.672 56.400 0.171 0.000 0.756 1774 E CB 2.776 32.633 29.700 0.261 0.000 1.208 1774 E HN 0.559 nan 8.360 nan 0.000 0.428 1775 L N 2.840 124.115 121.223 0.087 0.000 2.439 1775 L HA 0.084 4.425 4.340 0.001 0.000 0.269 1775 L C 1.536 178.436 176.870 0.050 0.000 1.179 1775 L CA 0.125 55.000 54.840 0.058 0.000 0.828 1775 L CB 0.375 42.454 42.059 0.034 0.000 1.106 1775 L HN 0.599 nan 8.230 nan 0.000 0.467 1776 I N 1.404 121.998 120.570 0.040 0.000 2.361 1776 I HA -0.203 3.967 4.170 0.001 0.000 0.251 1776 I C 1.909 178.026 176.117 -0.001 0.000 1.133 1776 I CA 1.677 62.990 61.300 0.022 0.000 1.413 1776 I CB -1.354 36.652 38.000 0.010 0.000 1.073 1776 I HN 0.855 nan 8.210 nan 0.000 0.424 1777 T N -2.019 112.529 114.554 -0.010 0.000 3.148 1777 T HA -0.006 4.345 4.350 0.001 0.000 0.253 1777 T C 1.728 176.388 174.700 -0.066 0.000 1.134 1777 T CA 0.696 62.775 62.100 -0.036 0.000 1.051 1777 T CB -0.465 68.385 68.868 -0.031 0.000 0.959 1777 T HN 0.402 nan 8.240 nan 0.000 0.525 1778 S N 0.715 116.379 115.700 -0.060 0.000 2.481 1778 S HA 0.167 4.638 4.470 0.001 0.000 0.231 1778 S C 0.774 175.256 174.600 -0.196 0.000 0.996 1778 S CA -0.285 57.848 58.200 -0.111 0.000 0.942 1778 S CB -0.447 62.714 63.200 -0.066 0.000 0.768 1778 S HN 0.450 nan 8.310 nan 0.000 0.520 1779 I N 3.602 124.088 120.570 -0.139 0.000 2.307 1779 I HA 0.339 4.510 4.170 0.001 0.000 0.289 1779 I C -0.256 175.755 176.117 -0.176 0.000 1.021 1779 I CA -0.456 60.748 61.300 -0.160 0.000 1.224 1779 I CB 0.837 38.816 38.000 -0.036 0.000 1.376 1779 I HN 0.213 nan 8.210 nan 0.000 0.470 1780 N N 6.559 125.106 118.700 -0.255 0.000 2.437 1780 N HA 0.145 4.886 4.740 0.001 0.000 0.243 1780 N C 0.689 176.080 175.510 -0.197 0.000 1.041 1780 N CA -0.155 52.769 53.050 -0.210 0.000 0.940 1780 N CB 1.392 39.737 38.487 -0.235 0.000 1.133 1780 N HN 0.340 nan 8.380 nan 0.000 0.506 1781 V N 3.650 123.452 119.914 -0.186 0.000 2.453 1781 V HA -0.158 3.962 4.120 0.001 0.000 0.247 1781 V C 1.675 177.669 176.094 -0.166 0.000 1.048 1781 V CA 1.523 63.678 62.300 -0.243 0.000 1.049 1781 V CB -0.550 31.175 31.823 -0.163 0.000 0.672 1781 V HN 0.669 nan 8.190 nan 0.000 0.457 1782 E N 0.590 120.724 120.200 -0.109 0.000 2.070 1782 E HA -0.221 4.129 4.350 0.001 0.000 0.197 1782 E C 1.341 177.903 176.600 -0.063 0.000 1.004 1782 E CA 1.052 57.408 56.400 -0.073 0.000 0.805 1782 E CB -0.381 29.283 29.700 -0.060 0.000 0.744 1782 E HN 0.463 nan 8.360 nan 0.000 0.451 1783 N N 2.008 120.667 118.700 -0.067 0.000 2.349 1783 N HA -0.105 4.636 4.740 0.001 0.000 0.296 1783 N C -0.308 175.210 175.510 0.013 0.000 1.304 1783 N CA 0.245 53.280 53.050 -0.025 0.000 1.051 1783 N CB 0.122 38.587 38.487 -0.037 0.000 1.466 1783 N HN 0.061 nan 8.380 nan 0.000 0.487 1784 D N 1.254 121.655 120.400 0.001 0.000 2.149 1784 D HA -0.121 4.520 4.640 0.001 0.000 0.198 1784 D C 1.232 177.555 176.300 0.037 0.000 0.990 1784 D CA 1.359 55.364 54.000 0.007 0.000 0.839 1784 D CB 0.091 40.894 40.800 0.005 0.000 0.948 1784 D HN 0.495 nan 8.370 nan 0.000 0.460 1785 T N 0.224 114.811 114.554 0.054 0.000 2.674 1785 T HA -0.153 4.198 4.350 0.001 0.000 0.265 1785 T C 1.740 176.498 174.700 0.097 0.000 1.039 1785 T CA 0.830 62.969 62.100 0.065 0.000 1.150 1785 T CB -0.500 68.405 68.868 0.063 0.000 0.864 1785 T HN 0.164 nan 8.240 nan 0.000 0.427 1786 F N 1.926 121.864 119.950 -0.020 0.000 2.102 1786 F HA -0.066 4.462 4.527 0.001 0.000 0.298 1786 F C 1.963 177.798 175.800 0.059 0.000 1.105 1786 F CA 0.929 58.923 58.000 -0.011 0.000 1.239 1786 F CB -0.370 38.591 39.000 -0.065 0.000 0.991 1786 F HN -0.026 nan 8.300 nan 0.000 0.474 1787 I N 0.980 121.581 120.570 0.051 0.000 2.091 1787 I HA -0.306 3.864 4.170 0.001 0.000 0.239 1787 I C 2.536 178.739 176.117 0.144 0.000 1.061 1787 I CA 1.877 63.192 61.300 0.026 0.000 1.317 1787 I CB -1.579 36.323 38.000 -0.164 0.000 1.031 1787 I HN 0.331 nan 8.210 nan 0.000 0.401 1788 E N 1.129 121.371 120.200 0.069 0.000 2.268 1788 E HA -0.229 4.122 4.350 0.001 0.000 0.195 1788 E C 2.284 178.911 176.600 0.046 0.000 0.995 1788 E CA 0.751 57.200 56.400 0.082 0.000 0.836 1788 E CB -0.021 29.710 29.700 0.052 0.000 0.763 1788 E HN 0.421 nan 8.360 nan 0.000 0.491 1789 R N -0.194 120.294 120.500 -0.020 0.000 2.161 1789 R HA 0.027 4.368 4.340 0.001 0.000 0.213 1789 R C 1.305 177.533 176.300 -0.120 0.000 1.055 1789 R CA 0.884 56.945 56.100 -0.064 0.000 0.996 1789 R CB 0.178 30.432 30.300 -0.078 0.000 0.901 1789 R HN 0.071 nan 8.270 nan 0.000 0.456 1790 N N -0.962 117.617 118.700 -0.201 0.000 2.210 1790 N HA 0.075 4.815 4.740 0.001 0.000 0.203 1790 N C -0.926 174.303 175.510 -0.470 0.000 1.175 1790 N CA 0.221 53.050 53.050 -0.368 0.000 0.894 1790 N CB 0.807 38.912 38.487 -0.636 0.000 1.041 1790 N HN -0.038 nan 8.380 nan 0.000 0.506 1791 F N 1.046 121.010 119.950 0.024 0.000 2.520 1791 F HA 0.267 4.794 4.527 0.001 0.000 0.322 1791 F C 0.999 176.849 175.800 0.084 0.000 1.103 1791 F CA -1.113 56.954 58.000 0.112 0.000 0.926 1791 F CB 1.344 40.492 39.000 0.246 0.000 1.154 1791 F HN -0.245 nan 8.300 nan 0.000 0.453 1792 T N -0.182 114.511 114.554 0.231 0.000 2.860 1792 T HA 0.192 4.543 4.350 0.001 0.000 0.299 1792 T C -2.023 172.779 174.700 0.170 0.000 1.045 1792 T CA -1.479 60.714 62.100 0.156 0.000 1.071 1792 T CB 1.270 70.216 68.868 0.129 0.000 0.985 1792 T HN 0.290 nan 8.240 nan 0.000 0.537 1793 P HA -0.177 nan 4.420 nan 0.000 0.216 1793 P C 1.737 179.097 177.300 0.101 0.000 1.153 1793 P CA 1.537 64.699 63.100 0.103 0.000 0.858 1793 P CB -0.049 31.692 31.700 0.067 0.000 0.789 1794 Q N 0.283 120.139 119.800 0.092 0.000 2.224 1794 Q HA -0.175 4.165 4.340 0.001 0.000 0.203 1794 Q C 1.772 177.835 176.000 0.105 0.000 0.970 1794 Q CA 1.769 57.624 55.803 0.086 0.000 0.865 1794 Q CB -1.158 27.620 28.738 0.067 0.000 0.922 1794 Q HN 0.280 nan 8.270 nan 0.000 0.445 1795 E N 0.427 120.704 120.200 0.128 0.000 2.028 1795 E HA -0.078 4.272 4.350 0.001 0.000 0.190 1795 E C 2.029 178.675 176.600 0.076 0.000 0.984 1795 E CA 1.333 57.817 56.400 0.140 0.000 0.800 1795 E CB -0.161 29.699 29.700 0.268 0.000 0.758 1795 E HN 0.432 nan 8.360 nan 0.000 0.448 1796 I N 1.298 121.947 120.570 0.132 0.000 2.208 1796 I HA -0.296 3.874 4.170 0.001 0.000 0.245 1796 I C 2.616 178.754 176.117 0.035 0.000 1.097 1796 I CA 1.283 62.653 61.300 0.116 0.000 1.363 1796 I CB -0.195 37.944 38.000 0.232 0.000 1.051 1796 I HN 0.165 nan 8.210 nan 0.000 0.413 1797 E N 0.298 120.534 120.200 0.060 0.000 2.106 1797 E HA -0.282 4.068 4.350 0.001 0.000 0.192 1797 E C 2.230 178.834 176.600 0.006 0.000 0.984 1797 E CA 1.147 57.569 56.400 0.037 0.000 0.806 1797 E CB -0.159 29.574 29.700 0.055 0.000 0.750 1797 E HN 0.543 nan 8.360 nan 0.000 0.458 1798 Y N 0.400 120.647 120.300 -0.087 0.000 2.133 1798 Y HA -0.242 4.309 4.550 0.001 0.000 0.287 1798 Y C 2.267 178.063 175.900 -0.175 0.000 1.134 1798 Y CA 1.862 59.900 58.100 -0.103 0.000 1.133 1798 Y CB -0.507 37.903 38.460 -0.085 0.000 0.987 1798 Y HN 0.165 nan 8.280 nan 0.000 0.502 1799 C N -0.195 118.957 119.300 -0.246 0.000 2.425 1799 C HA -0.136 4.325 4.460 0.001 0.000 0.277 1799 C C 2.853 177.615 174.990 -0.380 0.000 1.280 1799 C CA 1.502 60.212 59.018 -0.513 0.000 1.744 1799 C CB -1.331 25.608 27.740 -1.335 0.000 1.989 1799 C HN 0.632 nan 8.230 nan 0.000 0.491 1800 S N 1.059 116.618 115.700 -0.235 0.000 2.419 1800 S HA -0.070 4.400 4.470 0.001 0.000 0.233 1800 S C 1.909 176.442 174.600 -0.112 0.000 1.016 1800 S CA 1.227 59.380 58.200 -0.078 0.000 0.974 1800 S CB -0.290 62.909 63.200 -0.001 0.000 0.786 1800 S HN 0.742 nan 8.310 nan 0.000 0.492 1801 A N 0.624 123.331 122.820 -0.188 0.000 2.238 1801 A HA 0.156 4.477 4.320 0.001 0.000 0.208 1801 A C 0.832 178.285 177.584 -0.217 0.000 1.177 1801 A CA 0.144 52.071 52.037 -0.182 0.000 0.804 1801 A CB 0.081 18.966 19.000 -0.192 0.000 0.823 1801 A HN 0.265 nan 8.150 nan 0.000 0.482 1802 Q N -0.523 119.127 119.800 -0.251 0.000 2.221 1802 Q HA 0.298 4.638 4.340 0.001 0.000 0.242 1802 Q C -1.719 174.219 176.000 -0.103 0.000 0.940 1802 Q CA -2.213 53.464 55.803 -0.210 0.000 0.896 1802 Q CB 0.191 28.785 28.738 -0.240 0.000 1.226 1802 Q HN 0.066 nan 8.270 nan 0.000 0.463 1803 P HA -0.104 nan 4.420 nan 0.000 0.215 1803 P C 0.153 177.445 177.300 -0.012 0.000 1.153 1803 P CA 1.237 64.322 63.100 -0.024 0.000 0.853 1803 P CB 0.343 32.043 31.700 0.000 0.000 0.788 1804 S N -1.120 114.575 115.700 -0.008 0.000 2.601 1804 S HA 0.257 4.728 4.470 0.001 0.000 0.312 1804 S C 0.932 175.510 174.600 -0.037 0.000 1.107 1804 S CA -0.652 57.540 58.200 -0.013 0.000 1.129 1804 S CB 0.145 63.344 63.200 -0.001 0.000 0.982 1804 S HN -0.279 nan 8.310 nan 0.000 0.469 1805 V N 5.278 125.185 119.914 -0.011 0.000 2.358 1805 V HA -0.154 3.966 4.120 0.001 0.000 0.246 1805 V C 2.692 178.855 176.094 0.116 0.000 1.047 1805 V CA 2.155 64.470 62.300 0.025 0.000 1.035 1805 V CB -0.667 31.205 31.823 0.081 0.000 0.658 1805 V HN 0.900 nan 8.190 nan 0.000 0.452 1806 Q N -0.197 119.652 119.800 0.081 0.000 2.084 1806 Q HA -0.193 4.148 4.340 0.001 0.000 0.202 1806 Q C 2.407 178.423 176.000 0.027 0.000 0.978 1806 Q CA 2.043 57.894 55.803 0.080 0.000 0.844 1806 Q CB -0.092 28.654 28.738 0.013 0.000 0.898 1806 Q HN 0.630 nan 8.270 nan 0.000 0.426 1807 S N 0.002 115.644 115.700 -0.097 0.000 2.368 1807 S HA -0.156 4.314 4.470 0.001 0.000 0.225 1807 S C 1.933 176.370 174.600 -0.271 0.000 1.030 1807 S CA 1.195 59.203 58.200 -0.321 0.000 0.999 1807 S CB -0.334 62.455 63.200 -0.685 0.000 0.844 1807 S HN 0.407 nan 8.310 nan 0.000 0.459 1808 S N 0.348 115.959 115.700 -0.149 0.000 2.368 1808 S HA -0.055 4.415 4.470 0.001 0.000 0.225 1808 S C 1.576 176.155 174.600 -0.035 0.000 1.030 1808 S CA 1.024 59.179 58.200 -0.075 0.000 0.999 1808 S CB -0.427 62.691 63.200 -0.137 0.000 0.844 1808 S HN 0.443 nan 8.310 nan 0.000 0.459 1809 F N 1.898 121.830 119.950 -0.029 0.000 2.171 1809 F HA 0.071 4.599 4.527 0.001 0.000 0.300 1809 F C 2.571 178.475 175.800 0.174 0.000 1.090 1809 F CA 0.868 58.843 58.000 -0.041 0.000 1.293 1809 F CB -0.897 37.979 39.000 -0.207 0.000 1.013 1809 F HN 0.269 nan 8.300 nan 0.000 0.486 1810 A N 0.059 123.057 122.820 0.297 0.000 1.933 1810 A HA -0.091 4.230 4.320 0.001 0.000 0.218 1810 A C 2.559 180.331 177.584 0.312 0.000 1.175 1810 A CA 1.848 54.052 52.037 0.278 0.000 0.628 1810 A CB -1.572 17.507 19.000 0.132 0.000 0.814 1810 A HN 0.409 nan 8.150 nan 0.000 0.444 1811 G N -1.284 107.649 108.800 0.221 0.000 2.404 1811 G HA2 -0.110 3.851 3.960 0.001 0.000 0.215 1811 G HA3 -0.110 3.851 3.960 0.001 0.000 0.215 1811 G C 1.570 176.614 174.900 0.241 0.000 1.174 1811 G CA 1.562 46.795 45.100 0.222 0.000 0.780 1811 G HN 0.422 nan 8.290 nan 0.000 0.537 1812 T N -0.125 114.595 114.554 0.276 0.000 2.788 1812 T HA -0.133 4.217 4.350 0.001 0.000 0.268 1812 T C 1.786 176.717 174.700 0.386 0.000 1.044 1812 T CA 0.973 63.251 62.100 0.297 0.000 1.139 1812 T CB -0.231 68.846 68.868 0.347 0.000 0.867 1812 T HN 0.504 nan 8.240 nan 0.000 0.454 1813 W N 1.967 123.481 121.300 0.357 0.000 2.355 1813 W HA -0.175 4.485 4.660 0.001 0.000 0.309 1813 W C 2.157 178.769 176.519 0.154 0.000 1.206 1813 W CA 1.298 58.807 57.345 0.273 0.000 1.284 1813 W CB -0.456 29.226 29.460 0.369 0.000 1.145 1813 W HN 0.233 nan 8.180 nan 0.000 0.502 1814 S N 1.055 116.906 115.700 0.251 0.000 2.383 1814 S HA -0.199 4.272 4.470 0.001 0.000 0.229 1814 S C 2.080 176.681 174.600 0.001 0.000 1.030 1814 S CA 1.767 60.031 58.200 0.107 0.000 1.002 1814 S CB -0.821 62.479 63.200 0.167 0.000 0.829 1814 S HN 0.383 nan 8.310 nan 0.000 0.467 1815 A N 1.826 124.664 122.820 0.029 0.000 1.873 1815 A HA -0.120 4.200 4.320 0.001 0.000 0.215 1815 A C 2.065 179.608 177.584 -0.069 0.000 1.186 1815 A CA 1.488 53.522 52.037 -0.004 0.000 0.616 1815 A CB -0.449 18.563 19.000 0.021 0.000 0.823 1815 A HN 0.462 nan 8.150 nan 0.000 0.442 1816 K N -0.368 119.950 120.400 -0.136 0.000 2.063 1816 K HA -0.145 4.175 4.320 0.001 0.000 0.208 1816 K C 2.019 178.483 176.600 -0.227 0.000 1.048 1816 K CA 1.462 57.616 56.287 -0.222 0.000 0.928 1816 K CB -0.134 32.138 32.500 -0.380 0.000 0.713 1816 K HN 0.433 nan 8.250 nan 0.000 0.442 1817 E N 0.604 120.617 120.200 -0.312 0.000 2.047 1817 E HA -0.148 4.202 4.350 0.001 0.000 0.191 1817 E C 2.176 178.756 176.600 -0.033 0.000 0.987 1817 E CA 1.153 57.439 56.400 -0.190 0.000 0.799 1817 E CB -0.250 29.309 29.700 -0.234 0.000 0.752 1817 E HN 0.301 nan 8.360 nan 0.000 0.449 1818 A N 1.286 124.078 122.820 -0.046 0.000 1.892 1818 A HA -0.185 4.136 4.320 0.001 0.000 0.218 1818 A C 2.651 180.217 177.584 -0.031 0.000 1.188 1818 A CA 1.836 53.858 52.037 -0.024 0.000 0.631 1818 A CB -0.893 18.098 19.000 -0.015 0.000 0.822 1818 A HN 0.133 nan 8.150 nan 0.000 0.447 1819 V N -1.121 118.775 119.914 -0.029 0.000 2.255 1819 V HA -0.263 3.857 4.120 0.001 0.000 0.247 1819 V C 2.305 178.393 176.094 -0.010 0.000 1.051 1819 V CA 2.268 64.551 62.300 -0.028 0.000 1.018 1819 V CB -1.015 30.789 31.823 -0.032 0.000 0.641 1819 V HN 0.656 nan 8.190 nan 0.000 0.445 1820 F N 1.259 121.140 119.950 -0.115 0.000 2.120 1820 F HA -0.212 4.316 4.527 0.001 0.000 0.300 1820 F C 2.359 178.113 175.800 -0.076 0.000 1.095 1820 F CA 1.860 59.798 58.000 -0.103 0.000 1.249 1820 F CB -0.391 38.532 39.000 -0.128 0.000 0.995 1820 F HN 0.031 nan 8.300 nan 0.000 0.480 1821 K N 0.110 120.359 120.400 -0.251 0.000 2.057 1821 K HA -0.160 4.161 4.320 0.001 0.000 0.207 1821 K C 2.333 178.775 176.600 -0.264 0.000 1.049 1821 K CA 1.652 57.753 56.287 -0.309 0.000 0.931 1821 K CB -0.551 31.881 32.500 -0.114 0.000 0.714 1821 K HN 0.457 nan 8.250 nan 0.000 0.440 1822 S N 1.143 116.740 115.700 -0.172 0.000 2.447 1822 S HA -0.064 4.406 4.470 0.001 0.000 0.233 1822 S C 1.994 176.504 174.600 -0.150 0.000 1.006 1822 S CA 0.669 58.791 58.200 -0.129 0.000 0.957 1822 S CB -0.435 62.715 63.200 -0.083 0.000 0.773 1822 S HN 0.183 nan 8.310 nan 0.000 0.507 1823 L N 1.161 122.260 121.223 -0.207 0.000 2.109 1823 L HA 0.187 4.527 4.340 0.001 0.000 0.207 1823 L C 1.685 178.429 176.870 -0.210 0.000 1.086 1823 L CA 0.537 55.266 54.840 -0.186 0.000 0.760 1823 L CB -1.369 40.588 42.059 -0.169 0.000 0.910 1823 L HN 0.583 nan 8.230 nan 0.000 0.437 1824 G N 1.232 109.845 108.800 -0.312 0.000 2.415 1824 G HA2 -0.122 3.839 3.960 0.001 0.000 0.283 1824 G HA3 -0.122 3.839 3.960 0.001 0.000 0.283 1824 G C -0.274 174.503 174.900 -0.205 0.000 1.014 1824 G CA 0.242 45.193 45.100 -0.249 0.000 1.323 1824 G HN 0.275 nan 8.290 nan 0.000 0.502 1825 V N -2.633 117.119 119.914 -0.270 0.000 3.160 1825 V HA 0.721 4.842 4.120 0.001 0.000 0.310 1825 V C 0.740 176.820 176.094 -0.023 0.000 1.181 1825 V CA -2.150 60.084 62.300 -0.110 0.000 1.047 1825 V CB 1.531 33.329 31.823 -0.040 0.000 1.068 1825 V HN 0.421 nan 8.190 nan 0.000 0.441 1826 K N 1.646 122.075 120.400 0.048 0.000 2.441 1826 K HA 0.055 4.376 4.320 0.001 0.000 0.273 1826 K C 0.726 177.457 176.600 0.217 0.000 1.090 1826 K CA 0.436 56.776 56.287 0.089 0.000 1.158 1826 K CB 0.126 32.668 32.500 0.069 0.000 0.847 1826 K HN 0.767 nan 8.250 nan 0.000 0.483 1827 S N 2.359 118.186 115.700 0.212 0.000 2.614 1827 S HA 0.083 4.553 4.470 0.001 0.000 0.251 1827 S C 0.769 175.531 174.600 0.270 0.000 1.388 1827 S CA -0.239 58.181 58.200 0.365 0.000 0.973 1827 S CB 0.397 63.714 63.200 0.194 0.000 0.926 1827 S HN 0.364 nan 8.310 nan 0.000 0.580 1828 L N 0.017 121.314 121.223 0.124 0.000 2.793 1828 L HA 0.834 5.174 4.340 0.001 0.000 0.242 1828 L C 0.576 177.422 176.870 -0.041 0.000 1.315 1828 L CA -0.395 54.369 54.840 -0.127 0.000 1.263 1828 L CB 0.878 42.640 42.059 -0.495 0.000 2.076 1828 L HN 0.805 nan 8.230 nan 0.000 0.575 1829 G N -1.249 107.514 108.800 -0.061 0.000 2.322 1829 G HA2 0.329 4.289 3.960 0.001 0.000 0.289 1829 G HA3 0.329 4.289 3.960 0.001 0.000 0.289 1829 G C -0.611 174.291 174.900 0.002 0.000 1.687 1829 G CA -0.486 44.610 45.100 -0.006 0.000 0.944 1829 G HN 0.796 nan 8.290 nan 0.000 0.718 1830 G N -0.522 108.296 108.800 0.030 0.000 2.257 1830 G HA2 0.515 4.476 3.960 0.001 0.000 0.235 1830 G HA3 0.515 4.476 3.960 0.001 0.000 0.235 1830 G C 1.100 176.012 174.900 0.021 0.000 1.225 1830 G CA 0.655 45.778 45.100 0.037 0.000 0.878 1830 G HN 1.711 nan 8.290 nan 0.000 0.505 1831 G N 1.099 109.910 108.800 0.019 0.000 3.782 1831 G HA2 0.541 4.501 3.960 0.001 0.000 0.288 1831 G HA3 0.541 4.501 3.960 0.001 0.000 0.288 1831 G C 0.711 175.618 174.900 0.012 0.000 1.300 1831 G CA 0.468 45.584 45.100 0.027 0.000 1.261 1831 G HN 1.033 nan 8.290 nan 0.000 0.591 1832 A N 0.182 122.998 122.820 -0.006 0.000 2.498 1832 A HA 0.688 5.009 4.320 0.001 0.000 0.239 1832 A C 0.688 178.248 177.584 -0.039 0.000 1.068 1832 A CA 0.510 52.523 52.037 -0.041 0.000 0.766 1832 A CB 0.560 19.510 19.000 -0.082 0.000 1.003 1832 A HN 1.130 nan 8.150 nan 0.000 0.497 1833 A N 1.546 124.326 122.820 -0.066 0.000 2.356 1833 A HA 0.669 4.989 4.320 0.001 0.000 0.323 1833 A C 0.167 177.667 177.584 -0.139 0.000 1.119 1833 A CA -0.572 51.422 52.037 -0.071 0.000 0.790 1833 A CB 0.921 19.883 19.000 -0.064 0.000 1.273 1833 A HN 0.885 nan 8.150 nan 0.000 0.452 1834 L N 1.114 122.233 121.223 -0.173 0.000 2.818 1834 L HA 0.199 4.540 4.340 0.001 0.000 0.243 1834 L C 1.917 178.652 176.870 -0.224 0.000 1.185 1834 L CA 0.147 54.826 54.840 -0.268 0.000 0.988 1834 L CB 0.061 41.843 42.059 -0.462 0.000 1.292 1834 L HN 0.931 nan 8.230 nan 0.000 0.519 1835 K N 0.289 120.596 120.400 -0.155 0.000 2.283 1835 K HA -0.162 4.158 4.320 0.001 0.000 0.202 1835 K C 1.117 177.712 176.600 -0.008 0.000 1.048 1835 K CA 0.864 57.097 56.287 -0.091 0.000 0.948 1835 K CB 0.268 32.736 32.500 -0.054 0.000 0.742 1835 K HN 0.255 nan 8.250 nan 0.000 0.458 1836 D N 0.929 121.313 120.400 -0.025 0.000 2.149 1836 D HA -0.154 4.487 4.640 0.001 0.000 0.194 1836 D C 0.458 176.741 176.300 -0.027 0.000 1.001 1836 D CA 1.124 55.134 54.000 0.017 0.000 0.849 1836 D CB 0.025 40.801 40.800 -0.039 0.000 0.939 1836 D HN 0.231 nan 8.370 nan 0.000 0.449 1837 I N 1.279 121.795 120.570 -0.089 0.000 2.287 1837 I HA 0.126 4.296 4.170 0.001 0.000 0.290 1837 I C 0.345 176.405 176.117 -0.095 0.000 1.069 1837 I CA -0.314 60.916 61.300 -0.116 0.000 1.237 1837 I CB 0.865 38.794 38.000 -0.118 0.000 1.418 1837 I HN -0.164 nan 8.210 nan 0.000 0.481 1838 E N 7.082 127.222 120.200 -0.100 0.000 2.175 1838 E HA 0.406 4.756 4.350 0.001 0.000 0.278 1838 E C -0.977 175.598 176.600 -0.042 0.000 0.969 1838 E CA -0.809 55.575 56.400 -0.026 0.000 0.796 1838 E CB 1.259 30.995 29.700 0.059 0.000 1.104 1838 E HN 0.377 nan 8.360 nan 0.000 0.395 1839 I N 5.840 126.401 120.570 -0.015 0.000 2.307 1839 I HA 0.123 4.294 4.170 0.001 0.000 0.289 1839 I C 0.093 176.170 176.117 -0.067 0.000 1.021 1839 I CA -0.818 60.456 61.300 -0.044 0.000 1.224 1839 I CB 0.744 38.723 38.000 -0.035 0.000 1.376 1839 I HN 0.339 nan 8.210 nan 0.000 0.470 1840 V N 6.597 126.465 119.914 -0.076 0.000 2.318 1840 V HA 0.536 4.657 4.120 0.001 0.000 0.271 1840 V C -0.009 176.002 176.094 -0.138 0.000 1.030 1840 V CA -0.611 61.639 62.300 -0.084 0.000 0.844 1840 V CB 0.540 32.342 31.823 -0.034 0.000 1.015 1840 V HN 0.724 nan 8.190 nan 0.000 0.460 1841 R N 4.037 124.384 120.500 -0.255 0.000 2.287 1841 R HA 0.552 4.892 4.340 0.001 0.000 0.316 1841 R C 0.106 176.293 176.300 -0.188 0.000 1.050 1841 R CA -0.168 55.728 56.100 -0.340 0.000 0.983 1841 R CB 1.522 31.308 30.300 -0.855 0.000 1.140 1841 R HN 0.851 nan 8.270 nan 0.000 0.528 1846 A N 3.037 125.852 122.820 -0.009 0.000 2.561 1846 A HA 0.304 4.624 4.320 0.001 0.000 0.234 1846 A C -1.891 175.669 177.584 -0.040 0.000 1.055 1846 A CA -0.078 51.948 52.037 -0.019 0.000 0.756 1846 A CB -0.518 18.473 19.000 -0.015 0.000 0.986 1846 A HN 0.344 nan 8.150 nan 0.000 0.505 1847 P HA 0.407 nan 4.420 nan 0.000 0.270 1847 P C -0.496 176.768 177.300 -0.059 0.000 1.223 1847 P CA 0.290 63.343 63.100 -0.078 0.000 0.785 1847 P CB 0.676 32.336 31.700 -0.067 0.000 0.923 1848 A N 1.184 123.964 122.820 -0.066 0.000 2.449 1848 A HA 0.575 4.896 4.320 0.001 0.000 0.302 1848 A C -1.079 176.470 177.584 -0.058 0.000 1.048 1848 A CA -0.620 51.386 52.037 -0.052 0.000 0.708 1848 A CB 1.241 20.215 19.000 -0.043 0.000 1.274 1848 A HN 0.276 nan 8.150 nan 0.000 0.410 1849 V N 1.833 121.712 119.914 -0.058 0.000 2.439 1849 V HA 0.432 4.553 4.120 0.001 0.000 0.282 1849 V C -0.084 175.955 176.094 -0.093 0.000 1.039 1849 V CA -0.216 62.040 62.300 -0.073 0.000 0.913 1849 V CB 1.129 32.912 31.823 -0.068 0.000 0.983 1849 V HN 0.897 nan 8.190 nan 0.000 0.460 1850 E N 4.850 124.968 120.200 -0.138 0.000 2.216 1850 E HA 0.501 4.851 4.350 0.001 0.000 0.260 1850 E C -1.219 175.110 176.600 -0.451 0.000 0.880 1850 E CA -0.542 55.726 56.400 -0.220 0.000 0.765 1850 E CB 2.181 31.789 29.700 -0.153 0.000 1.174 1850 E HN 0.540 nan 8.360 nan 0.000 0.417 1851 L N 3.057 124.050 121.223 -0.382 0.000 2.399 1851 L HA 0.494 4.834 4.340 0.001 0.000 0.266 1851 L C -0.012 176.570 176.870 -0.480 0.000 1.114 1851 L CA -0.354 54.259 54.840 -0.379 0.000 0.804 1851 L CB 0.587 42.553 42.059 -0.154 0.000 1.146 1851 L HN 0.575 nan 8.230 nan 0.000 0.451 1852 H N -0.356 118.704 119.070 -0.015 0.000 2.949 1852 H HA 0.546 5.102 4.556 0.001 0.000 0.356 1852 H C 0.487 175.805 175.328 -0.016 0.000 1.212 1852 H CA -0.186 55.853 56.048 -0.015 0.000 1.136 1852 H CB 1.602 31.354 29.762 -0.017 0.000 1.869 1852 H HN 0.763 nan 8.280 nan 0.000 0.556 1853 G N 0.785 109.663 108.800 0.130 0.000 2.627 1853 G HA2 -0.443 3.517 3.960 0.001 0.000 0.312 1853 G HA3 -0.443 3.517 3.960 0.001 0.000 0.312 1853 G C 0.941 175.863 174.900 0.037 0.000 1.299 1853 G CA 0.780 45.916 45.100 0.059 0.000 0.989 1853 G HN 0.711 nan 8.290 nan 0.000 0.547 1854 N N 1.051 119.763 118.700 0.021 0.000 2.104 1854 N HA -0.116 4.625 4.740 0.001 0.000 0.190 1854 N C 2.706 178.231 175.510 0.025 0.000 1.024 1854 N CA 2.231 55.292 53.050 0.017 0.000 0.853 1854 N CB -0.743 37.748 38.487 0.006 0.000 1.008 1854 N HN 0.889 nan 8.380 nan 0.000 0.424 1855 A N 1.708 124.540 122.820 0.020 0.000 1.903 1855 A HA -0.251 4.069 4.320 0.001 0.000 0.219 1855 A C 2.229 179.824 177.584 0.019 0.000 1.191 1855 A CA 1.929 53.983 52.037 0.028 0.000 0.638 1855 A CB -0.638 18.361 19.000 -0.001 0.000 0.823 1855 A HN 0.325 nan 8.150 nan 0.000 0.451 1856 K N -0.398 120.008 120.400 0.010 0.000 2.057 1856 K HA -0.153 4.168 4.320 0.001 0.000 0.206 1856 K C 2.091 178.696 176.600 0.009 0.000 1.050 1856 K CA 1.640 57.928 56.287 0.002 0.000 0.935 1856 K CB -0.163 32.346 32.500 0.016 0.000 0.715 1856 K HN 0.509 nan 8.250 nan 0.000 0.439 1857 K N 0.098 120.508 120.400 0.016 0.000 2.002 1857 K HA -0.095 4.225 4.320 0.001 0.000 0.209 1857 K C 2.144 178.752 176.600 0.012 0.000 1.048 1857 K CA 1.364 57.659 56.287 0.014 0.000 0.930 1857 K CB -0.210 32.299 32.500 0.016 0.000 0.714 1857 K HN 0.155 nan 8.250 nan 0.000 0.438 1858 A N 1.348 124.181 122.820 0.020 0.000 2.070 1858 A HA -0.106 4.214 4.320 0.001 0.000 0.220 1858 A C 2.273 179.863 177.584 0.010 0.000 1.159 1858 A CA 1.795 53.846 52.037 0.023 0.000 0.656 1858 A CB -0.592 18.436 19.000 0.048 0.000 0.800 1858 A HN 0.360 nan 8.150 nan 0.000 0.453 1859 A N -0.103 122.720 122.820 0.006 0.000 1.874 1859 A HA -0.064 4.257 4.320 0.001 0.000 0.214 1859 A C 1.883 179.459 177.584 -0.012 0.000 1.189 1859 A CA 1.375 53.407 52.037 -0.009 0.000 0.615 1859 A CB -0.412 18.580 19.000 -0.014 0.000 0.830 1859 A HN 0.577 nan 8.150 nan 0.000 0.443 1860 E N -0.352 119.844 120.200 -0.007 0.000 2.106 1860 E HA -0.180 4.170 4.350 0.001 0.000 0.192 1860 E C 1.843 178.439 176.600 -0.007 0.000 0.984 1860 E CA 1.059 57.455 56.400 -0.007 0.000 0.806 1860 E CB -0.108 29.590 29.700 -0.003 0.000 0.750 1860 E HN 0.750 nan 8.360 nan 0.000 0.458 1861 E N -0.007 120.191 120.200 -0.004 0.000 2.478 1861 E HA -0.080 4.271 4.350 0.001 0.000 0.198 1861 E C 1.159 177.754 176.600 -0.008 0.000 1.046 1861 E CA 0.533 56.931 56.400 -0.003 0.000 0.870 1861 E CB 0.155 29.857 29.700 0.002 0.000 0.818 1861 E HN 0.213 nan 8.360 nan 0.000 0.527 1862 A N -0.577 122.235 122.820 -0.013 0.000 2.382 1862 A HA 0.380 4.700 4.320 0.001 0.000 0.228 1862 A C 1.442 179.013 177.584 -0.021 0.000 1.217 1862 A CA 0.596 52.621 52.037 -0.020 0.000 0.923 1862 A CB 0.436 19.418 19.000 -0.030 0.000 0.979 1862 A HN 0.309 nan 8.150 nan 0.000 0.515 1863 G N -0.781 108.008 108.800 -0.018 0.000 2.132 1863 G HA2 -0.181 3.779 3.960 0.001 0.000 0.234 1863 G HA3 -0.181 3.779 3.960 0.001 0.000 0.234 1863 G C 0.122 175.009 174.900 -0.021 0.000 0.989 1863 G CA 0.069 45.159 45.100 -0.017 0.000 0.676 1863 G HN 0.810 nan 8.290 nan 0.000 0.522 1864 V N 1.951 121.851 119.914 -0.024 0.000 2.421 1864 V HA 0.384 4.505 4.120 0.001 0.000 0.271 1864 V C 1.806 177.885 176.094 -0.025 0.000 1.031 1864 V CA 1.190 63.473 62.300 -0.028 0.000 1.032 1864 V CB 0.817 32.619 31.823 -0.035 0.000 1.009 1864 V HN 0.720 nan 8.190 nan 0.000 0.477 1865 T N -0.037 114.503 114.554 -0.024 0.000 3.037 1865 T HA 0.155 4.506 4.350 0.001 0.000 0.252 1865 T C 0.286 174.972 174.700 -0.023 0.000 1.073 1865 T CA 0.294 62.382 62.100 -0.021 0.000 1.091 1865 T CB 0.291 69.148 68.868 -0.018 0.000 0.935 1865 T HN 0.579 nan 8.240 nan 0.000 0.488 1866 D N -0.437 119.946 120.400 -0.027 0.000 2.706 1866 D HA 0.484 5.125 4.640 0.001 0.000 0.225 1866 D C -1.840 174.440 176.300 -0.034 0.000 1.241 1866 D CA -0.488 53.494 54.000 -0.029 0.000 0.784 1866 D CB 2.284 43.070 40.800 -0.025 0.000 1.521 1866 D HN 0.033 nan 8.370 nan 0.000 0.461 1867 V N 3.306 123.198 119.914 -0.037 0.000 2.588 1867 V HA 0.586 4.706 4.120 0.001 0.000 0.304 1867 V C -0.328 175.744 176.094 -0.037 0.000 1.042 1867 V CA -0.817 61.459 62.300 -0.040 0.000 0.877 1867 V CB 1.864 33.659 31.823 -0.046 0.000 0.996 1867 V HN 0.372 nan 8.190 nan 0.000 0.425 1868 K N 2.771 123.151 120.400 -0.033 0.000 2.259 1868 K HA 0.833 5.154 4.320 0.001 0.000 0.249 1868 K C -1.230 175.353 176.600 -0.028 0.000 0.942 1868 K CA -0.766 55.503 56.287 -0.029 0.000 0.816 1868 K CB 2.994 35.479 32.500 -0.024 0.000 1.155 1868 K HN 0.431 nan 8.250 nan 0.000 0.428 1869 V N 0.174 120.073 119.914 -0.026 0.000 2.888 1869 V HA 0.516 4.636 4.120 0.001 0.000 0.309 1869 V C -1.231 174.854 176.094 -0.014 0.000 1.114 1869 V CA -0.407 61.880 62.300 -0.021 0.000 0.940 1869 V CB 2.292 34.100 31.823 -0.025 0.000 1.021 1869 V HN 0.850 nan 8.190 nan 0.000 0.426 1870 S N 5.412 121.110 115.700 -0.004 0.000 2.542 1870 S HA 0.840 5.311 4.470 0.001 0.000 0.293 1870 S C -1.145 173.467 174.600 0.020 0.000 1.089 1870 S CA -0.577 57.625 58.200 0.004 0.000 0.961 1870 S CB 1.401 64.602 63.200 0.003 0.000 1.062 1870 S HN 0.600 nan 8.310 nan 0.000 0.483 1871 I N 2.132 122.722 120.570 0.033 0.000 2.647 1871 I HA 0.606 4.776 4.170 0.001 0.000 0.295 1871 I C -0.317 175.842 176.117 0.070 0.000 1.078 1871 I CA -0.513 60.826 61.300 0.065 0.000 1.048 1871 I CB 2.306 40.356 38.000 0.085 0.000 1.239 1871 I HN 0.542 nan 8.210 nan 0.000 0.421 1872 S N 2.714 118.467 115.700 0.090 0.000 2.570 1872 S HA 0.753 5.224 4.470 0.001 0.000 0.270 1872 S C -1.568 173.110 174.600 0.129 0.000 1.149 1872 S CA -0.519 57.715 58.200 0.056 0.000 0.837 1872 S CB 1.376 64.582 63.200 0.010 0.000 1.124 1872 S HN 0.846 nan 8.310 nan 0.000 0.465 1873 H N -0.158 118.944 119.070 0.054 0.000 3.017 1873 H HA 0.814 5.370 4.556 0.001 0.000 0.346 1873 H C -1.218 174.136 175.328 0.044 0.000 1.286 1873 H CA -0.789 55.293 56.048 0.056 0.000 1.120 1873 H CB 0.897 30.700 29.762 0.069 0.000 1.860 1873 H HN 0.547 nan 8.280 nan 0.000 0.542 1874 D N -0.575 119.919 120.400 0.156 0.000 2.808 1874 D HA 0.180 4.820 4.640 0.001 0.000 0.249 1874 D C 0.143 176.559 176.300 0.193 0.000 1.151 1874 D CA -0.620 53.444 54.000 0.107 0.000 1.089 1874 D CB 0.062 40.892 40.800 0.049 0.000 1.295 1874 D HN 0.457 nan 8.370 nan 0.000 0.631 1875 D N -0.968 119.500 120.400 0.114 0.000 2.218 1875 D HA -0.019 4.622 4.640 0.001 0.000 0.204 1875 D C 1.797 178.143 176.300 0.078 0.000 0.976 1875 D CA 0.865 54.921 54.000 0.093 0.000 0.853 1875 D CB 0.097 40.932 40.800 0.059 0.000 0.939 1875 D HN 0.289 nan 8.370 nan 0.000 0.481 1876 L N -0.742 120.526 121.223 0.076 0.000 2.221 1876 L HA 0.091 4.431 4.340 0.001 0.000 0.202 1876 L C 1.020 177.933 176.870 0.071 0.000 1.074 1876 L CA 0.354 55.231 54.840 0.061 0.000 0.795 1876 L CB 0.148 42.237 42.059 0.051 0.000 0.960 1876 L HN 0.030 nan 8.230 nan 0.000 0.458 1877 Q N -1.142 118.715 119.800 0.096 0.000 2.633 1877 Q HA 0.672 5.012 4.340 0.001 0.000 0.289 1877 Q C -1.747 174.343 176.000 0.150 0.000 0.940 1877 Q CA -0.935 54.931 55.803 0.105 0.000 0.785 1877 Q CB 2.200 30.990 28.738 0.087 0.000 1.467 1877 Q HN -0.071 nan 8.270 nan 0.000 0.401 1878 A N 0.986 123.899 122.820 0.154 0.000 2.340 1878 A HA 0.803 5.124 4.320 0.001 0.000 0.331 1878 A C -0.925 176.748 177.584 0.149 0.000 1.140 1878 A CA -0.620 51.530 52.037 0.189 0.000 0.801 1878 A CB 1.838 20.956 19.000 0.197 0.000 1.234 1878 A HN 0.459 nan 8.150 nan 0.000 0.469 1879 V N 0.374 120.367 119.914 0.133 0.000 2.789 1879 V HA 0.835 4.955 4.120 0.001 0.000 0.311 1879 V C 0.101 176.248 176.094 0.088 0.000 1.073 1879 V CA -0.242 62.116 62.300 0.097 0.000 0.921 1879 V CB 1.669 33.535 31.823 0.071 0.000 1.009 1879 V HN 1.452 nan 8.190 nan 0.000 0.426 1880 A N 3.252 126.114 122.820 0.069 0.000 2.449 1880 A HA 0.934 5.255 4.320 0.001 0.000 0.302 1880 A C -1.341 176.260 177.584 0.028 0.000 1.048 1880 A CA -0.594 51.473 52.037 0.050 0.000 0.708 1880 A CB 2.077 21.107 19.000 0.050 0.000 1.274 1880 A HN 0.732 nan 8.150 nan 0.000 0.410 1881 V N 0.999 120.922 119.914 0.016 0.000 2.588 1881 V HA 0.799 4.920 4.120 0.001 0.000 0.304 1881 V C 0.257 176.346 176.094 -0.007 0.000 1.042 1881 V CA -0.166 62.136 62.300 0.003 0.000 0.877 1881 V CB 1.507 33.332 31.823 0.004 0.000 0.996 1881 V HN 1.434 nan 8.190 nan 0.000 0.425 1882 A N 4.002 126.812 122.820 -0.017 0.000 2.374 1882 A HA 0.988 5.309 4.320 0.001 0.000 0.317 1882 A C -0.766 176.800 177.584 -0.030 0.000 1.094 1882 A CA -0.661 51.361 52.037 -0.025 0.000 0.765 1882 A CB 2.115 21.096 19.000 -0.033 0.000 1.268 1882 A HN 1.507 nan 8.150 nan 0.000 0.438 1883 V N -0.012 119.884 119.914 -0.030 0.000 2.638 1883 V HA 0.871 4.991 4.120 0.001 0.000 0.306 1883 V C -0.142 175.930 176.094 -0.036 0.000 1.052 1883 V CA -0.211 62.070 62.300 -0.032 0.000 0.885 1883 V CB 1.017 32.824 31.823 -0.025 0.000 0.999 1883 V HN 1.325 nan 8.190 nan 0.000 0.424 1884 S N 2.469 118.144 115.700 -0.041 0.000 2.578 1884 S HA 0.804 5.275 4.470 0.001 0.000 0.301 1884 S C -0.202 174.376 174.600 -0.036 0.000 1.091 1884 S CA -0.602 57.573 58.200 -0.042 0.000 1.032 1884 S CB 1.878 65.046 63.200 -0.053 0.000 1.064 1884 S HN 0.913 nan 8.310 nan 0.000 0.508 1885 T N 2.383 116.917 114.554 -0.033 0.000 2.797 1885 T HA 0.606 4.956 4.350 0.001 0.000 0.279 1885 T C -0.547 174.137 174.700 -0.027 0.000 0.991 1885 T CA -0.641 61.443 62.100 -0.027 0.000 0.979 1885 T CB 1.093 69.947 68.868 -0.023 0.000 0.943 1885 T HN 0.698 nan 8.240 nan 0.000 0.444 1886 K N 0.000 120.385 120.400 -0.025 0.000 2.780 1886 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1886 K CA 0.000 56.273 56.287 -0.024 0.000 0.838 1886 K CB 0.000 32.484 32.500 -0.027 0.000 1.064 1886 K HN 0.000 nan 8.250 nan 0.000 0.543