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 2wat_1_F DATA FIRST_RESID 1767 DATA SEQUENCE GGVGVDVELI TSINVENDTF IERNFTPQEI EYCSAQPSVQ SSFAGTWSAK DATA SEQUENCE EAVFKSLGVK XXXXXAALKD IEIVRVNKNA 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 3.964 3.960 0.006 0.000 0.244 1767 G C 0.000 174.875 174.900 -0.041 0.000 0.946 1767 G CA 0.000 45.080 45.100 -0.033 0.000 0.502 1768 G N -1.956 106.818 108.800 -0.044 0.000 2.667 1768 G HA2 0.703 4.667 3.960 0.006 0.000 0.294 1768 G HA3 0.703 4.667 3.960 0.006 0.000 0.294 1768 G C -1.956 172.916 174.900 -0.047 0.000 1.467 1768 G CA 0.185 45.254 45.100 -0.053 0.000 0.852 1768 G HN 1.716 nan 8.290 nan 0.000 0.521 1769 V N -0.108 119.778 119.914 -0.047 0.000 2.925 1769 V HA 0.994 5.118 4.120 0.006 0.000 0.311 1769 V C -0.021 176.050 176.094 -0.038 0.000 1.104 1769 V CA 0.302 62.581 62.300 -0.036 0.000 0.954 1769 V CB 2.215 34.023 31.823 -0.025 0.000 1.022 1769 V HN 1.736 nan 8.190 nan 0.000 0.427 1770 G N 2.932 111.715 108.800 -0.029 0.000 2.682 1770 G HA2 0.667 4.631 3.960 0.006 0.000 0.300 1770 G HA3 0.667 4.631 3.960 0.006 0.000 0.300 1770 G C -1.974 172.924 174.900 -0.004 0.000 1.391 1770 G CA -0.405 44.683 45.100 -0.020 0.000 0.990 1770 G HN 1.148 nan 8.290 nan 0.000 0.501 1771 V N 0.779 120.698 119.914 0.009 0.000 2.841 1771 V HA 0.821 4.945 4.120 0.006 0.000 0.310 1771 V C -1.838 174.274 176.094 0.030 0.000 1.090 1771 V CA -0.731 61.580 62.300 0.019 0.000 0.930 1771 V CB 2.473 34.308 31.823 0.021 0.000 1.014 1771 V HN 0.898 nan 8.190 nan 0.000 0.425 1772 D N 2.967 123.390 120.400 0.039 0.000 2.947 1772 D HA 0.592 5.236 4.640 0.006 0.000 0.224 1772 D C -1.826 174.522 176.300 0.080 0.000 1.230 1772 D CA -0.171 53.862 54.000 0.055 0.000 0.871 1772 D CB 2.428 43.248 40.800 0.032 0.000 1.671 1772 D HN 0.521 nan 8.370 nan 0.000 0.507 1773 V N 2.954 122.925 119.914 0.095 0.000 2.604 1773 V HA 0.679 4.803 4.120 0.006 0.000 0.305 1773 V C -1.339 174.840 176.094 0.142 0.000 1.043 1773 V CA -0.274 62.091 62.300 0.108 0.000 0.888 1773 V CB 1.769 33.641 31.823 0.082 0.000 0.995 1773 V HN 0.556 nan 8.190 nan 0.000 0.429 1774 E N 4.518 124.814 120.200 0.161 0.000 2.314 1774 E HA 0.398 4.752 4.350 0.006 0.000 0.272 1774 E C -1.403 175.271 176.600 0.125 0.000 0.884 1774 E CA -0.831 55.677 56.400 0.180 0.000 0.753 1774 E CB 2.373 32.246 29.700 0.289 0.000 1.213 1774 E HN 0.477 nan 8.360 nan 0.000 0.432 1775 L N 3.075 124.349 121.223 0.085 0.000 2.453 1775 L HA 0.018 4.362 4.340 0.006 0.000 0.272 1775 L C 1.726 178.623 176.870 0.046 0.000 1.182 1775 L CA 0.257 55.128 54.840 0.053 0.000 0.858 1775 L CB 0.122 42.195 42.059 0.022 0.000 1.120 1775 L HN 0.613 nan 8.230 nan 0.000 0.474 1776 I N 1.659 122.253 120.570 0.041 0.000 2.264 1776 I HA -0.237 3.937 4.170 0.006 0.000 0.248 1776 I C 2.104 178.219 176.117 -0.004 0.000 1.111 1776 I CA 1.726 63.041 61.300 0.025 0.000 1.382 1776 I CB -1.413 36.595 38.000 0.012 0.000 1.060 1776 I HN 0.834 nan 8.210 nan 0.000 0.418 1777 T N -1.673 112.870 114.554 -0.018 0.000 3.163 1777 T HA -0.042 4.312 4.350 0.006 0.000 0.260 1777 T C 1.799 176.445 174.700 -0.090 0.000 1.156 1777 T CA 0.865 62.937 62.100 -0.048 0.000 1.072 1777 T CB -0.564 68.279 68.868 -0.042 0.000 0.937 1777 T HN 0.436 nan 8.240 nan 0.000 0.528 1778 S N 0.872 116.518 115.700 -0.090 0.000 2.453 1778 S HA 0.149 4.623 4.470 0.006 0.000 0.231 1778 S C 0.828 175.256 174.600 -0.287 0.000 1.005 1778 S CA -0.203 57.895 58.200 -0.170 0.000 0.949 1778 S CB -0.479 62.647 63.200 -0.123 0.000 0.774 1778 S HN 0.467 nan 8.310 nan 0.000 0.510 1779 I N 3.530 123.991 120.570 -0.182 0.000 2.304 1779 I HA 0.333 4.507 4.170 0.006 0.000 0.291 1779 I C -0.233 175.775 176.117 -0.182 0.000 1.018 1779 I CA -0.382 60.809 61.300 -0.182 0.000 1.260 1779 I CB 0.805 38.799 38.000 -0.009 0.000 1.390 1779 I HN 0.211 nan 8.210 nan 0.000 0.475 1780 N N 6.676 125.225 118.700 -0.252 0.000 2.500 1780 N HA 0.139 4.882 4.740 0.006 0.000 0.236 1780 N C 0.737 176.148 175.510 -0.165 0.000 1.022 1780 N CA -0.229 52.709 53.050 -0.186 0.000 0.935 1780 N CB 1.387 39.752 38.487 -0.203 0.000 1.147 1780 N HN 0.339 nan 8.380 nan 0.000 0.512 1781 V N 2.838 122.662 119.914 -0.150 0.000 2.720 1781 V HA -0.148 3.975 4.120 0.006 0.000 0.256 1781 V C 1.722 177.735 176.094 -0.135 0.000 1.082 1781 V CA 1.375 63.565 62.300 -0.184 0.000 1.101 1781 V CB -0.425 31.357 31.823 -0.069 0.000 0.693 1781 V HN 0.556 nan 8.190 nan 0.000 0.479 1782 E N 0.086 120.231 120.200 -0.092 0.000 2.152 1782 E HA -0.071 4.283 4.350 0.006 0.000 0.192 1782 E C 1.419 177.985 176.600 -0.057 0.000 0.983 1782 E CA 0.268 56.630 56.400 -0.065 0.000 0.818 1782 E CB -0.404 29.264 29.700 -0.054 0.000 0.758 1782 E HN 0.484 nan 8.360 nan 0.000 0.467 1783 N N 1.845 120.508 118.700 -0.062 0.000 2.744 1783 N HA -0.067 4.677 4.740 0.006 0.000 0.290 1783 N C -0.254 175.263 175.510 0.011 0.000 1.206 1783 N CA 0.140 53.176 53.050 -0.022 0.000 1.119 1783 N CB 0.008 38.476 38.487 -0.031 0.000 1.449 1783 N HN -0.013 nan 8.380 nan 0.000 0.514 1784 D N 0.713 121.108 120.400 -0.009 0.000 2.182 1784 D HA -0.135 4.509 4.640 0.006 0.000 0.201 1784 D C 1.189 177.497 176.300 0.014 0.000 0.986 1784 D CA 1.364 55.358 54.000 -0.010 0.000 0.847 1784 D CB 0.092 40.887 40.800 -0.008 0.000 0.942 1784 D HN 0.462 nan 8.370 nan 0.000 0.467 1785 T N 0.417 114.992 114.554 0.035 0.000 2.708 1785 T HA -0.157 4.197 4.350 0.006 0.000 0.266 1785 T C 1.711 176.454 174.700 0.072 0.000 1.037 1785 T CA 0.794 62.922 62.100 0.047 0.000 1.146 1785 T CB -0.480 68.417 68.868 0.048 0.000 0.865 1785 T HN 0.151 nan 8.240 nan 0.000 0.435 1786 F N 1.993 121.918 119.950 -0.042 0.000 2.102 1786 F HA -0.088 4.440 4.527 0.003 0.000 0.298 1786 F C 1.940 177.755 175.800 0.025 0.000 1.105 1786 F CA 0.984 58.959 58.000 -0.042 0.000 1.239 1786 F CB -0.396 38.537 39.000 -0.111 0.000 0.991 1786 F HN -0.002 nan 8.300 nan 0.000 0.474 1787 I N 0.601 121.125 120.570 -0.076 0.000 2.163 1787 I HA -0.261 3.913 4.170 0.006 0.000 0.243 1787 I C 2.349 178.487 176.117 0.034 0.000 1.085 1787 I CA 1.546 62.773 61.300 -0.122 0.000 1.347 1787 I CB -1.546 36.301 38.000 -0.255 0.000 1.044 1787 I HN 0.210 nan 8.210 nan 0.000 0.408 1788 E N 0.495 120.697 120.200 0.004 0.000 2.153 1788 E HA -0.183 4.171 4.350 0.006 0.000 0.194 1788 E C 2.373 178.984 176.600 0.019 0.000 0.988 1788 E CA 0.881 57.302 56.400 0.035 0.000 0.811 1788 E CB -0.130 29.583 29.700 0.021 0.000 0.746 1788 E HN 0.217 nan 8.360 nan 0.000 0.466 1789 R N -0.276 120.203 120.500 -0.035 0.000 2.148 1789 R HA 0.057 4.401 4.340 0.006 0.000 0.223 1789 R C 1.032 177.283 176.300 -0.082 0.000 1.088 1789 R CA 1.082 57.152 56.100 -0.050 0.000 0.985 1789 R CB 0.216 30.486 30.300 -0.051 0.000 0.880 1789 R HN 0.139 nan 8.270 nan 0.000 0.451 1790 N N -1.376 117.238 118.700 -0.144 0.000 2.210 1790 N HA 0.063 4.807 4.740 0.006 0.000 0.203 1790 N C -0.885 174.390 175.510 -0.391 0.000 1.175 1790 N CA 0.271 53.162 53.050 -0.264 0.000 0.894 1790 N CB 0.918 39.175 38.487 -0.382 0.000 1.041 1790 N HN -0.062 nan 8.380 nan 0.000 0.506 1791 F N 1.087 121.041 119.950 0.006 0.000 2.520 1791 F HA 0.263 4.794 4.527 0.007 0.000 0.322 1791 F C 0.929 176.773 175.800 0.074 0.000 1.103 1791 F CA -1.093 56.962 58.000 0.092 0.000 0.926 1791 F CB 1.382 40.501 39.000 0.198 0.000 1.154 1791 F HN -0.238 nan 8.300 nan 0.000 0.453 1792 T N -0.363 114.334 114.554 0.239 0.000 2.860 1792 T HA 0.175 4.529 4.350 0.006 0.000 0.299 1792 T C -2.019 172.784 174.700 0.171 0.000 1.045 1792 T CA -1.467 60.727 62.100 0.156 0.000 1.071 1792 T CB 1.114 70.051 68.868 0.115 0.000 0.985 1792 T HN 0.298 nan 8.240 nan 0.000 0.537 1793 P HA -0.171 nan 4.420 nan 0.000 0.217 1793 P C 1.844 179.208 177.300 0.107 0.000 1.148 1793 P CA 1.134 64.295 63.100 0.102 0.000 0.828 1793 P CB -0.005 31.733 31.700 0.064 0.000 0.783 1794 Q N -0.214 119.647 119.800 0.103 0.000 2.187 1794 Q HA -0.097 4.247 4.340 0.006 0.000 0.199 1794 Q C 1.839 177.915 176.000 0.127 0.000 0.957 1794 Q CA 1.313 57.176 55.803 0.099 0.000 0.857 1794 Q CB -0.971 27.814 28.738 0.078 0.000 0.929 1794 Q HN 0.375 nan 8.270 nan 0.000 0.453 1795 E N 1.054 121.350 120.200 0.160 0.000 2.077 1795 E HA -0.077 4.276 4.350 0.006 0.000 0.193 1795 E C 2.172 178.859 176.600 0.144 0.000 0.989 1795 E CA 0.918 57.434 56.400 0.194 0.000 0.800 1795 E CB -0.113 29.791 29.700 0.341 0.000 0.746 1795 E HN 0.313 nan 8.360 nan 0.000 0.452 1796 I N 1.120 121.804 120.570 0.190 0.000 2.226 1796 I HA -0.274 3.900 4.170 0.006 0.000 0.245 1796 I C 2.635 178.789 176.117 0.060 0.000 1.100 1796 I CA 1.168 62.577 61.300 0.180 0.000 1.374 1796 I CB -0.199 37.941 38.000 0.233 0.000 1.057 1796 I HN 0.157 nan 8.210 nan 0.000 0.413 1797 E N 0.472 120.717 120.200 0.074 0.000 2.077 1797 E HA -0.290 4.064 4.350 0.006 0.000 0.193 1797 E C 2.271 178.874 176.600 0.004 0.000 0.989 1797 E CA 1.411 57.836 56.400 0.041 0.000 0.800 1797 E CB -0.192 29.544 29.700 0.059 0.000 0.746 1797 E HN 0.498 nan 8.360 nan 0.000 0.452 1798 Y N 0.779 121.032 120.300 -0.078 0.000 2.089 1798 Y HA -0.297 4.257 4.550 0.006 0.000 0.282 1798 Y C 2.435 178.219 175.900 -0.193 0.000 1.139 1798 Y CA 2.026 60.066 58.100 -0.100 0.000 1.123 1798 Y CB -0.624 37.794 38.460 -0.070 0.000 0.980 1798 Y HN 0.177 nan 8.280 nan 0.000 0.493 1799 C N -0.243 118.922 119.300 -0.225 0.000 2.413 1799 C HA -0.173 4.291 4.460 0.006 0.000 0.276 1799 C C 2.853 177.534 174.990 -0.515 0.000 1.248 1799 C CA 1.613 60.277 59.018 -0.589 0.000 1.742 1799 C CB -1.408 25.436 27.740 -1.493 0.000 2.017 1799 C HN 0.634 nan 8.230 nan 0.000 0.481 1800 S N 0.603 116.096 115.700 -0.345 0.000 2.469 1800 S HA -0.034 4.440 4.470 0.006 0.000 0.238 1800 S C 1.737 176.254 174.600 -0.139 0.000 0.998 1800 S CA 1.135 59.260 58.200 -0.126 0.000 0.957 1800 S CB -0.215 62.982 63.200 -0.006 0.000 0.764 1800 S HN 0.756 nan 8.310 nan 0.000 0.514 1801 A N 0.245 122.933 122.820 -0.220 0.000 2.348 1801 A HA 0.254 4.578 4.320 0.006 0.000 0.224 1801 A C 0.741 178.178 177.584 -0.245 0.000 1.227 1801 A CA -0.194 51.722 52.037 -0.202 0.000 0.885 1801 A CB 0.208 19.090 19.000 -0.196 0.000 0.933 1801 A HN 0.234 nan 8.150 nan 0.000 0.506 1802 Q N -0.125 119.497 119.800 -0.297 0.000 2.317 1802 Q HA 0.271 4.615 4.340 0.006 0.000 0.229 1802 Q C -1.654 174.268 176.000 -0.129 0.000 0.984 1802 Q CA -2.106 53.550 55.803 -0.245 0.000 0.911 1802 Q CB 0.036 28.614 28.738 -0.266 0.000 1.217 1802 Q HN 0.072 nan 8.270 nan 0.000 0.501 1803 P HA -0.096 nan 4.420 nan 0.000 0.215 1803 P C 0.137 177.419 177.300 -0.030 0.000 1.157 1803 P CA 1.223 64.300 63.100 -0.039 0.000 0.868 1803 P CB 0.313 32.007 31.700 -0.009 0.000 0.788 1804 S N -1.041 114.641 115.700 -0.030 0.000 2.532 1804 S HA 0.250 4.724 4.470 0.006 0.000 0.318 1804 S C 0.980 175.540 174.600 -0.066 0.000 1.083 1804 S CA -0.657 57.519 58.200 -0.040 0.000 1.131 1804 S CB 0.089 63.263 63.200 -0.043 0.000 0.973 1804 S HN -0.276 nan 8.310 nan 0.000 0.468 1805 V N 5.378 125.268 119.914 -0.041 0.000 2.295 1805 V HA -0.163 3.961 4.120 0.006 0.000 0.246 1805 V C 2.701 178.839 176.094 0.073 0.000 1.049 1805 V CA 2.161 64.448 62.300 -0.022 0.000 1.024 1805 V CB -0.735 31.113 31.823 0.041 0.000 0.648 1805 V HN 0.903 nan 8.190 nan 0.000 0.447 1806 Q N -0.378 119.466 119.800 0.073 0.000 2.084 1806 Q HA -0.221 4.123 4.340 0.006 0.000 0.202 1806 Q C 2.485 178.515 176.000 0.050 0.000 0.978 1806 Q CA 2.016 57.877 55.803 0.096 0.000 0.844 1806 Q CB -0.203 28.549 28.738 0.024 0.000 0.898 1806 Q HN 0.589 nan 8.270 nan 0.000 0.426 1807 S N -0.711 114.940 115.700 -0.080 0.000 2.383 1807 S HA -0.128 4.345 4.470 0.006 0.000 0.227 1807 S C 1.983 176.479 174.600 -0.172 0.000 1.026 1807 S CA 1.399 59.448 58.200 -0.253 0.000 0.981 1807 S CB -0.295 62.527 63.200 -0.630 0.000 0.818 1807 S HN 0.455 nan 8.310 nan 0.000 0.472 1808 S N -0.237 115.401 115.700 -0.104 0.000 2.355 1808 S HA -0.019 4.455 4.470 0.006 0.000 0.222 1808 S C 1.511 176.126 174.600 0.026 0.000 1.031 1808 S CA 1.216 59.394 58.200 -0.037 0.000 0.993 1808 S CB -0.570 62.554 63.200 -0.127 0.000 0.859 1808 S HN 0.590 nan 8.310 nan 0.000 0.453 1809 F N 1.979 121.940 119.950 0.019 0.000 2.134 1809 F HA 0.025 4.556 4.527 0.007 0.000 0.299 1809 F C 2.564 178.511 175.800 0.244 0.000 1.097 1809 F CA 0.882 58.891 58.000 0.014 0.000 1.264 1809 F CB -0.980 37.918 39.000 -0.171 0.000 1.001 1809 F HN 0.263 nan 8.300 nan 0.000 0.479 1810 A N 0.005 123.039 122.820 0.357 0.000 1.902 1810 A HA -0.081 4.243 4.320 0.006 0.000 0.217 1810 A C 2.573 180.373 177.584 0.360 0.000 1.181 1810 A CA 1.803 54.041 52.037 0.336 0.000 0.623 1810 A CB -1.586 17.522 19.000 0.180 0.000 0.818 1810 A HN 0.407 nan 8.150 nan 0.000 0.443 1811 G N -1.380 107.580 108.800 0.267 0.000 2.408 1811 G HA2 -0.107 3.857 3.960 0.006 0.000 0.217 1811 G HA3 -0.107 3.857 3.960 0.006 0.000 0.217 1811 G C 1.545 176.604 174.900 0.265 0.000 1.150 1811 G CA 1.579 46.826 45.100 0.246 0.000 0.776 1811 G HN 0.431 nan 8.290 nan 0.000 0.542 1812 T N -0.295 114.460 114.554 0.335 0.000 2.857 1812 T HA -0.105 4.249 4.350 0.006 0.000 0.266 1812 T C 1.775 176.709 174.700 0.389 0.000 1.048 1812 T CA 0.828 63.141 62.100 0.355 0.000 1.139 1812 T CB -0.213 68.941 68.868 0.476 0.000 0.874 1812 T HN 0.515 nan 8.240 nan 0.000 0.455 1813 W N 1.976 123.494 121.300 0.364 0.000 2.355 1813 W HA -0.167 4.494 4.660 0.002 0.000 0.309 1813 W C 2.083 178.679 176.519 0.129 0.000 1.206 1813 W CA 1.259 58.738 57.345 0.223 0.000 1.284 1813 W CB -0.410 29.266 29.460 0.360 0.000 1.145 1813 W HN 0.226 nan 8.180 nan 0.000 0.502 1814 S N 1.034 116.875 115.700 0.236 0.000 2.382 1814 S HA -0.165 4.309 4.470 0.006 0.000 0.228 1814 S C 2.097 176.691 174.600 -0.010 0.000 1.027 1814 S CA 1.635 59.888 58.200 0.089 0.000 0.991 1814 S CB -0.791 62.508 63.200 0.166 0.000 0.823 1814 S HN 0.371 nan 8.310 nan 0.000 0.469 1815 A N 1.847 124.683 122.820 0.026 0.000 1.902 1815 A HA -0.121 4.203 4.320 0.006 0.000 0.217 1815 A C 2.060 179.600 177.584 -0.074 0.000 1.181 1815 A CA 1.471 53.504 52.037 -0.006 0.000 0.623 1815 A CB -0.433 18.582 19.000 0.025 0.000 0.818 1815 A HN 0.450 nan 8.150 nan 0.000 0.443 1816 K N -0.309 120.002 120.400 -0.148 0.000 2.032 1816 K HA -0.147 4.176 4.320 0.006 0.000 0.209 1816 K C 1.994 178.449 176.600 -0.243 0.000 1.048 1816 K CA 1.498 57.643 56.287 -0.237 0.000 0.927 1816 K CB -0.151 32.105 32.500 -0.407 0.000 0.712 1816 K HN 0.447 nan 8.250 nan 0.000 0.441 1817 E N 0.529 120.522 120.200 -0.346 0.000 2.072 1817 E HA -0.160 4.194 4.350 0.006 0.000 0.191 1817 E C 2.126 178.706 176.600 -0.032 0.000 0.985 1817 E CA 1.152 57.414 56.400 -0.230 0.000 0.801 1817 E CB -0.190 29.341 29.700 -0.283 0.000 0.750 1817 E HN 0.320 nan 8.360 nan 0.000 0.452 1818 A N 1.271 124.065 122.820 -0.043 0.000 1.877 1818 A HA -0.143 4.181 4.320 0.006 0.000 0.216 1818 A C 2.643 180.220 177.584 -0.010 0.000 1.186 1818 A CA 1.491 53.523 52.037 -0.009 0.000 0.620 1818 A CB -0.790 18.205 19.000 -0.008 0.000 0.822 1818 A HN 0.125 nan 8.150 nan 0.000 0.443 1819 V N -1.032 118.870 119.914 -0.021 0.000 2.332 1819 V HA -0.270 3.853 4.120 0.006 0.000 0.248 1819 V C 2.305 178.391 176.094 -0.013 0.000 1.055 1819 V CA 2.244 64.527 62.300 -0.028 0.000 1.038 1819 V CB -0.976 30.824 31.823 -0.038 0.000 0.651 1819 V HN 0.666 nan 8.190 nan 0.000 0.450 1820 F N 1.294 121.175 119.950 -0.116 0.000 2.134 1820 F HA -0.196 4.336 4.527 0.007 0.000 0.299 1820 F C 2.344 178.098 175.800 -0.077 0.000 1.097 1820 F CA 1.914 59.852 58.000 -0.104 0.000 1.264 1820 F CB -0.288 38.633 39.000 -0.130 0.000 1.001 1820 F HN 0.012 nan 8.300 nan 0.000 0.479 1821 K N 0.044 120.394 120.400 -0.084 0.000 2.209 1821 K HA -0.129 4.195 4.320 0.006 0.000 0.204 1821 K C 2.200 178.675 176.600 -0.208 0.000 1.048 1821 K CA 1.404 57.590 56.287 -0.168 0.000 0.940 1821 K CB -0.358 32.143 32.500 0.001 0.000 0.729 1821 K HN 0.432 nan 8.250 nan 0.000 0.451 1822 S N 0.619 116.225 115.700 -0.157 0.000 2.522 1822 S HA 0.025 4.499 4.470 0.006 0.000 0.227 1822 S C 1.829 176.333 174.600 -0.159 0.000 0.986 1822 S CA 0.330 58.454 58.200 -0.127 0.000 0.929 1822 S CB -0.244 62.906 63.200 -0.083 0.000 0.769 1822 S HN 0.178 nan 8.310 nan 0.000 0.529 1823 L N 1.023 122.104 121.223 -0.237 0.000 2.240 1823 L HA 0.205 4.549 4.340 0.006 0.000 0.211 1823 L C 1.760 178.501 176.870 -0.214 0.000 1.106 1823 L CA 0.559 55.267 54.840 -0.219 0.000 0.793 1823 L CB -1.170 40.734 42.059 -0.259 0.000 0.927 1823 L HN 0.599 nan 8.230 nan 0.000 0.446 1824 G N 1.287 109.926 108.800 -0.268 0.000 2.326 1824 G HA2 -0.180 3.784 3.960 0.006 0.000 0.286 1824 G HA3 -0.180 3.784 3.960 0.006 0.000 0.286 1824 G C -0.100 174.686 174.900 -0.190 0.000 1.096 1824 G CA 0.288 45.269 45.100 -0.199 0.000 1.003 1824 G HN 0.306 nan 8.290 nan 0.000 0.503 1825 V N -3.863 115.882 119.914 -0.281 0.000 3.126 1825 V HA 0.885 5.009 4.120 0.006 0.000 0.314 1825 V C 0.627 176.647 176.094 -0.122 0.000 1.138 1825 V CA -1.153 61.040 62.300 -0.177 0.000 1.034 1825 V CB 1.840 33.574 31.823 -0.148 0.000 1.075 1825 V HN 0.422 nan 8.190 nan 0.000 0.442 1833 A N 1.133 123.935 122.820 -0.029 0.000 2.462 1833 A HA 0.556 4.880 4.320 0.006 0.000 0.243 1833 A C 0.462 177.988 177.584 -0.096 0.000 1.076 1833 A CA 0.108 52.122 52.037 -0.039 0.000 0.773 1833 A CB -0.184 18.797 19.000 -0.032 0.000 1.010 1833 A HN 1.262 nan 8.150 nan 0.000 0.493 1834 L N 2.081 123.218 121.223 -0.143 0.000 2.872 1834 L HA 0.169 4.513 4.340 0.006 0.000 0.245 1834 L C 1.985 178.753 176.870 -0.171 0.000 1.211 1834 L CA 0.039 54.750 54.840 -0.215 0.000 1.013 1834 L CB -0.155 41.662 42.059 -0.403 0.000 1.326 1834 L HN 0.957 nan 8.230 nan 0.000 0.525 1835 K N 0.526 120.860 120.400 -0.111 0.000 2.209 1835 K HA -0.180 4.144 4.320 0.006 0.000 0.204 1835 K C 1.040 177.639 176.600 -0.002 0.000 1.048 1835 K CA 1.245 57.494 56.287 -0.062 0.000 0.940 1835 K CB 0.245 32.729 32.500 -0.027 0.000 0.729 1835 K HN 0.280 nan 8.250 nan 0.000 0.451 1836 D N 0.498 120.898 120.400 0.000 0.000 2.264 1836 D HA -0.050 4.594 4.640 0.006 0.000 0.208 1836 D C 0.299 176.618 176.300 0.031 0.000 0.966 1836 D CA 0.820 54.852 54.000 0.054 0.000 0.864 1836 D CB 0.131 40.952 40.800 0.034 0.000 0.933 1836 D HN 0.247 nan 8.370 nan 0.000 0.499 1837 I N 1.459 122.012 120.570 -0.027 0.000 2.307 1837 I HA 0.132 4.306 4.170 0.006 0.000 0.287 1837 I C 0.269 176.356 176.117 -0.051 0.000 1.054 1837 I CA -0.391 60.873 61.300 -0.060 0.000 1.218 1837 I CB 1.007 38.964 38.000 -0.073 0.000 1.398 1837 I HN -0.237 nan 8.210 nan 0.000 0.475 1838 E N 7.042 127.217 120.200 -0.041 0.000 2.175 1838 E HA 0.384 4.738 4.350 0.006 0.000 0.278 1838 E C -0.895 175.694 176.600 -0.018 0.000 0.969 1838 E CA -0.815 55.594 56.400 0.015 0.000 0.796 1838 E CB 1.284 31.063 29.700 0.131 0.000 1.104 1838 E HN 0.379 nan 8.360 nan 0.000 0.395 1839 I N 6.046 126.615 120.570 -0.001 0.000 2.312 1839 I HA 0.163 4.336 4.170 0.006 0.000 0.291 1839 I C 0.288 176.375 176.117 -0.050 0.000 1.031 1839 I CA -0.518 60.765 61.300 -0.029 0.000 1.293 1839 I CB 0.391 38.380 38.000 -0.018 0.000 1.403 1839 I HN 0.324 nan 8.210 nan 0.000 0.484 1840 V N 5.806 125.680 119.914 -0.065 0.000 2.994 1840 V HA 0.717 4.841 4.120 0.006 0.000 0.318 1840 V C -0.041 175.980 176.094 -0.122 0.000 1.085 1840 V CA -1.106 61.149 62.300 -0.076 0.000 0.998 1840 V CB 2.185 33.992 31.823 -0.028 0.000 1.063 1840 V HN 0.591 nan 8.190 nan 0.000 0.447 1841 R N 1.226 121.649 120.500 -0.130 0.000 2.604 1841 R HA 0.705 5.049 4.340 0.006 0.000 0.287 1841 R C 0.254 176.522 176.300 -0.054 0.000 0.970 1841 R CA -0.560 55.461 56.100 -0.131 0.000 0.946 1841 R CB 1.423 31.608 30.300 -0.192 0.000 1.127 1841 R HN 0.674 nan 8.270 nan 0.000 0.473 1842 V N 0.245 120.135 119.914 -0.039 0.000 2.943 1842 V HA 0.083 4.207 4.120 0.006 0.000 0.211 1842 V C 0.844 176.938 176.094 -0.001 0.000 1.187 1842 V CA 0.074 62.364 62.300 -0.016 0.000 1.278 1842 V CB -0.416 31.398 31.823 -0.015 0.000 1.008 1842 V HN 0.566 nan 8.190 nan 0.000 0.509 1843 N N 1.720 120.423 118.700 0.004 0.000 3.127 1843 N HA 0.026 4.770 4.740 0.006 0.000 0.317 1843 N C 0.889 176.417 175.510 0.031 0.000 1.242 1843 N CA 0.811 53.870 53.050 0.015 0.000 1.203 1843 N CB -0.018 38.477 38.487 0.013 0.000 1.462 1843 N HN 0.651 nan 8.380 nan 0.000 0.546 1844 K N 0.390 120.813 120.400 0.039 0.000 8.070 1844 K HA -0.284 4.040 4.320 0.006 0.000 0.487 1844 K C 0.224 176.895 176.600 0.118 0.000 0.363 1844 K CA 2.123 58.456 56.287 0.075 0.000 1.957 1844 K CB -1.147 31.397 32.500 0.073 0.000 0.676 1844 K HN 0.393 nan 8.250 nan 0.000 0.908 1845 N N 0.068 118.828 118.700 0.100 0.000 2.227 1845 N HA 0.256 5.000 4.740 0.006 0.000 0.196 1845 N C -0.375 175.154 175.510 0.032 0.000 1.142 1845 N CA 0.506 53.641 53.050 0.142 0.000 0.887 1845 N CB 1.016 39.608 38.487 0.174 0.000 1.022 1845 N HN 0.450 nan 8.380 nan 0.000 0.500 1846 A N 3.158 125.979 122.820 0.002 0.000 2.409 1846 A HA 0.363 4.687 4.320 0.006 0.000 0.262 1846 A C -2.295 175.253 177.584 -0.059 0.000 1.113 1846 A CA -1.013 51.014 52.037 -0.017 0.000 0.790 1846 A CB 0.139 19.135 19.000 -0.007 0.000 1.046 1846 A HN -0.055 nan 8.150 nan 0.000 0.496 1847 P HA 0.470 nan 4.420 nan 0.000 0.286 1847 P C -0.586 176.680 177.300 -0.056 0.000 1.269 1847 P CA 0.053 63.105 63.100 -0.080 0.000 0.787 1847 P CB 1.577 33.242 31.700 -0.057 0.000 0.920 1848 A N 3.289 126.071 122.820 -0.063 0.000 2.386 1848 A HA 0.705 5.028 4.320 0.006 0.000 0.308 1848 A C -0.846 176.705 177.584 -0.055 0.000 1.128 1848 A CA -0.735 51.273 52.037 -0.050 0.000 0.789 1848 A CB 1.374 20.348 19.000 -0.043 0.000 1.325 1848 A HN 0.310 nan 8.150 nan 0.000 0.437 1849 V N 0.879 120.759 119.914 -0.056 0.000 2.483 1849 V HA 0.489 4.613 4.120 0.006 0.000 0.295 1849 V C -0.242 175.795 176.094 -0.094 0.000 1.035 1849 V CA -0.361 61.897 62.300 -0.071 0.000 0.896 1849 V CB 1.376 33.159 31.823 -0.068 0.000 0.986 1849 V HN 0.913 nan 8.190 nan 0.000 0.447 1850 E N 4.108 124.225 120.200 -0.137 0.000 2.244 1850 E HA 0.516 4.870 4.350 0.006 0.000 0.260 1850 E C -1.410 174.932 176.600 -0.431 0.000 0.884 1850 E CA -0.542 55.712 56.400 -0.244 0.000 0.777 1850 E CB 2.132 31.709 29.700 -0.206 0.000 1.197 1850 E HN 0.540 nan 8.360 nan 0.000 0.416 1851 L N 3.429 124.419 121.223 -0.388 0.000 2.334 1851 L HA 0.493 4.836 4.340 0.006 0.000 0.277 1851 L C -0.117 176.475 176.870 -0.464 0.000 1.075 1851 L CA -0.404 54.232 54.840 -0.341 0.000 0.804 1851 L CB 0.680 42.646 42.059 -0.156 0.000 1.174 1851 L HN 0.554 nan 8.230 nan 0.000 0.438 1852 H N 0.118 119.183 119.070 -0.009 0.000 2.908 1852 H HA 0.595 5.154 4.556 0.006 0.000 0.350 1852 H C 0.627 175.952 175.328 -0.005 0.000 1.217 1852 H CA -0.020 56.024 56.048 -0.007 0.000 1.168 1852 H CB 1.603 31.362 29.762 -0.006 0.000 1.891 1852 H HN 0.743 nan 8.280 nan 0.000 0.566 1853 G N 0.767 109.654 108.800 0.144 0.000 2.672 1853 G HA2 -0.471 3.492 3.960 0.006 0.000 0.324 1853 G HA3 -0.471 3.492 3.960 0.006 0.000 0.324 1853 G C 1.021 175.950 174.900 0.047 0.000 1.286 1853 G CA 0.990 46.133 45.100 0.073 0.000 1.004 1853 G HN 0.674 nan 8.290 nan 0.000 0.548 1854 N N 1.116 119.839 118.700 0.037 0.000 2.166 1854 N HA 0.020 4.764 4.740 0.006 0.000 0.186 1854 N C 2.575 178.103 175.510 0.030 0.000 1.019 1854 N CA 2.176 55.244 53.050 0.030 0.000 0.856 1854 N CB -0.801 37.704 38.487 0.030 0.000 0.993 1854 N HN 0.858 nan 8.380 nan 0.000 0.426 1855 A N 1.202 124.041 122.820 0.031 0.000 1.902 1855 A HA -0.173 4.150 4.320 0.006 0.000 0.217 1855 A C 2.209 179.791 177.584 -0.004 0.000 1.181 1855 A CA 1.544 53.594 52.037 0.022 0.000 0.623 1855 A CB -0.457 18.550 19.000 0.012 0.000 0.818 1855 A HN 0.284 nan 8.150 nan 0.000 0.443 1856 K N -0.140 120.256 120.400 -0.005 0.000 2.026 1856 K HA -0.161 4.162 4.320 0.006 0.000 0.208 1856 K C 2.069 178.664 176.600 -0.009 0.000 1.048 1856 K CA 1.669 57.946 56.287 -0.017 0.000 0.929 1856 K CB -0.186 32.313 32.500 -0.002 0.000 0.713 1856 K HN 0.445 nan 8.250 nan 0.000 0.439 1857 K N 0.107 120.509 120.400 0.004 0.000 2.009 1857 K HA -0.156 4.168 4.320 0.006 0.000 0.210 1857 K C 2.209 178.806 176.600 -0.005 0.000 1.049 1857 K CA 1.495 57.783 56.287 0.002 0.000 0.929 1857 K CB -0.260 32.245 32.500 0.009 0.000 0.714 1857 K HN 0.208 nan 8.250 nan 0.000 0.440 1858 A N 1.492 124.310 122.820 -0.002 0.000 1.908 1858 A HA -0.176 4.148 4.320 0.006 0.000 0.218 1858 A C 2.373 179.940 177.584 -0.029 0.000 1.181 1858 A CA 2.043 54.074 52.037 -0.010 0.000 0.627 1858 A CB -0.773 18.228 19.000 0.002 0.000 0.818 1858 A HN 0.380 nan 8.150 nan 0.000 0.445 1859 A N -0.355 122.445 122.820 -0.033 0.000 1.877 1859 A HA -0.177 4.147 4.320 0.006 0.000 0.216 1859 A C 1.935 179.496 177.584 -0.038 0.000 1.186 1859 A CA 1.720 53.729 52.037 -0.046 0.000 0.620 1859 A CB -0.601 18.369 19.000 -0.050 0.000 0.822 1859 A HN 0.617 nan 8.150 nan 0.000 0.443 1860 E N -0.734 119.449 120.200 -0.029 0.000 2.085 1860 E HA -0.226 4.128 4.350 0.006 0.000 0.194 1860 E C 2.024 178.611 176.600 -0.022 0.000 0.994 1860 E CA 1.278 57.664 56.400 -0.023 0.000 0.801 1860 E CB -0.131 29.559 29.700 -0.016 0.000 0.743 1860 E HN 0.781 nan 8.360 nan 0.000 0.453 1861 E N -0.065 120.123 120.200 -0.020 0.000 2.204 1861 E HA -0.155 4.198 4.350 0.006 0.000 0.195 1861 E C 1.469 178.055 176.600 -0.025 0.000 0.990 1861 E CA 0.857 57.246 56.400 -0.019 0.000 0.821 1861 E CB 0.048 29.739 29.700 -0.015 0.000 0.750 1861 E HN 0.221 nan 8.360 nan 0.000 0.477 1862 A N -0.462 122.338 122.820 -0.033 0.000 2.275 1862 A HA 0.313 4.637 4.320 0.006 0.000 0.212 1862 A C 1.582 179.144 177.584 -0.037 0.000 1.201 1862 A CA 0.722 52.735 52.037 -0.040 0.000 0.843 1862 A CB -0.035 18.931 19.000 -0.057 0.000 0.873 1862 A HN 0.381 nan 8.150 nan 0.000 0.492 1863 G N -1.050 107.731 108.800 -0.032 0.000 2.148 1863 G HA2 -0.211 3.753 3.960 0.006 0.000 0.254 1863 G HA3 -0.211 3.753 3.960 0.006 0.000 0.254 1863 G C 0.220 175.101 174.900 -0.033 0.000 0.981 1863 G CA 0.177 45.259 45.100 -0.029 0.000 0.670 1863 G HN 0.759 nan 8.290 nan 0.000 0.528 1864 V N 1.621 121.512 119.914 -0.040 0.000 2.529 1864 V HA 0.379 4.503 4.120 0.006 0.000 0.292 1864 V C 1.783 177.854 176.094 -0.038 0.000 1.028 1864 V CA 1.344 63.618 62.300 -0.043 0.000 1.074 1864 V CB 1.090 32.880 31.823 -0.054 0.000 0.958 1864 V HN 0.731 nan 8.190 nan 0.000 0.481 1865 T N -0.253 114.280 114.554 -0.034 0.000 2.990 1865 T HA 0.224 4.577 4.350 0.006 0.000 0.250 1865 T C 0.177 174.858 174.700 -0.032 0.000 1.041 1865 T CA 0.112 62.194 62.100 -0.030 0.000 1.010 1865 T CB 0.337 69.190 68.868 -0.025 0.000 1.003 1865 T HN 0.596 nan 8.240 nan 0.000 0.499 1866 D N -0.357 120.022 120.400 -0.036 0.000 2.663 1866 D HA 0.513 5.157 4.640 0.006 0.000 0.233 1866 D C -1.910 174.365 176.300 -0.042 0.000 1.240 1866 D CA -0.452 53.525 54.000 -0.038 0.000 0.774 1866 D CB 2.299 43.081 40.800 -0.031 0.000 1.443 1866 D HN 0.029 nan 8.370 nan 0.000 0.441 1867 V N 2.860 122.747 119.914 -0.045 0.000 2.623 1867 V HA 0.533 4.657 4.120 0.006 0.000 0.304 1867 V C -0.482 175.588 176.094 -0.040 0.000 1.054 1867 V CA -0.908 61.365 62.300 -0.046 0.000 0.882 1867 V CB 1.894 33.684 31.823 -0.054 0.000 1.002 1867 V HN 0.369 nan 8.190 nan 0.000 0.424 1868 K N 2.687 123.066 120.400 -0.034 0.000 2.156 1868 K HA 0.841 5.165 4.320 0.006 0.000 0.254 1868 K C -0.949 175.635 176.600 -0.026 0.000 0.950 1868 K CA -0.691 55.579 56.287 -0.029 0.000 0.849 1868 K CB 2.908 35.394 32.500 -0.023 0.000 1.100 1868 K HN 0.455 nan 8.250 nan 0.000 0.434 1869 V N -0.014 119.886 119.914 -0.023 0.000 3.007 1869 V HA 0.594 4.718 4.120 0.006 0.000 0.311 1869 V C -1.255 174.834 176.094 -0.008 0.000 1.120 1869 V CA -0.442 61.848 62.300 -0.017 0.000 0.980 1869 V CB 2.402 34.212 31.823 -0.021 0.000 1.033 1869 V HN 0.859 nan 8.190 nan 0.000 0.429 1870 S N 4.569 120.270 115.700 0.002 0.000 2.549 1870 S HA 0.819 5.293 4.470 0.006 0.000 0.280 1870 S C -1.326 173.291 174.600 0.028 0.000 1.109 1870 S CA -0.567 57.640 58.200 0.011 0.000 0.905 1870 S CB 1.462 64.668 63.200 0.009 0.000 1.081 1870 S HN 0.613 nan 8.310 nan 0.000 0.477 1871 I N 2.222 122.817 120.570 0.041 0.000 2.689 1871 I HA 0.642 4.816 4.170 0.006 0.000 0.299 1871 I C -0.300 175.862 176.117 0.075 0.000 1.059 1871 I CA -0.504 60.839 61.300 0.072 0.000 1.055 1871 I CB 2.308 40.365 38.000 0.095 0.000 1.243 1871 I HN 0.581 nan 8.210 nan 0.000 0.425 1872 S N 2.855 118.612 115.700 0.095 0.000 2.570 1872 S HA 0.755 5.229 4.470 0.006 0.000 0.270 1872 S C -1.714 172.971 174.600 0.142 0.000 1.149 1872 S CA -0.518 57.720 58.200 0.064 0.000 0.837 1872 S CB 1.427 64.639 63.200 0.020 0.000 1.124 1872 S HN 0.836 nan 8.310 nan 0.000 0.465 1873 H N -0.031 119.073 119.070 0.056 0.000 3.079 1873 H HA 0.781 5.341 4.556 0.007 0.000 0.356 1873 H C -1.441 173.914 175.328 0.046 0.000 1.221 1873 H CA -0.720 55.363 56.048 0.059 0.000 1.185 1873 H CB 1.114 30.919 29.762 0.071 0.000 1.882 1873 H HN 0.584 nan 8.280 nan 0.000 0.543 1874 D N 0.471 120.976 120.400 0.174 0.000 2.781 1874 D HA 0.174 4.818 4.640 0.006 0.000 0.295 1874 D C 0.047 176.448 176.300 0.169 0.000 1.143 1874 D CA -0.685 53.394 54.000 0.132 0.000 1.076 1874 D CB 0.282 41.111 40.800 0.047 0.000 1.444 1874 D HN 0.441 nan 8.370 nan 0.000 0.567 1875 D N -0.701 119.764 120.400 0.108 0.000 2.221 1875 D HA -0.051 4.593 4.640 0.006 0.000 0.204 1875 D C 1.905 178.246 176.300 0.068 0.000 0.982 1875 D CA 0.983 55.033 54.000 0.084 0.000 0.857 1875 D CB 0.037 40.870 40.800 0.056 0.000 0.934 1875 D HN 0.342 nan 8.370 nan 0.000 0.475 1876 L N -0.469 120.793 121.223 0.066 0.000 2.162 1876 L HA 0.017 4.361 4.340 0.006 0.000 0.205 1876 L C 1.059 177.969 176.870 0.066 0.000 1.086 1876 L CA 0.595 55.468 54.840 0.055 0.000 0.778 1876 L CB -0.136 41.951 42.059 0.047 0.000 0.928 1876 L HN 0.061 nan 8.230 nan 0.000 0.446 1877 Q N -1.027 118.827 119.800 0.089 0.000 2.776 1877 Q HA 0.604 4.948 4.340 0.006 0.000 0.289 1877 Q C -1.693 174.392 176.000 0.143 0.000 0.912 1877 Q CA -0.803 55.061 55.803 0.102 0.000 0.789 1877 Q CB 1.926 30.717 28.738 0.088 0.000 1.498 1877 Q HN -0.072 nan 8.270 nan 0.000 0.408 1878 A N 0.682 123.595 122.820 0.155 0.000 2.295 1878 A HA 0.826 5.150 4.320 0.006 0.000 0.318 1878 A C -0.818 176.861 177.584 0.158 0.000 1.134 1878 A CA -0.581 51.571 52.037 0.191 0.000 0.827 1878 A CB 1.844 20.966 19.000 0.203 0.000 1.136 1878 A HN 0.707 nan 8.150 nan 0.000 0.493 1879 V N 0.338 120.338 119.914 0.142 0.000 2.971 1879 V HA 0.838 4.961 4.120 0.006 0.000 0.309 1879 V C -0.565 175.585 176.094 0.094 0.000 1.130 1879 V CA 0.222 62.586 62.300 0.107 0.000 0.964 1879 V CB 1.923 33.794 31.823 0.080 0.000 1.029 1879 V HN 1.879 nan 8.190 nan 0.000 0.427 1880 A N 4.781 127.646 122.820 0.074 0.000 2.475 1880 A HA 0.923 5.246 4.320 0.006 0.000 0.301 1880 A C -1.623 175.981 177.584 0.032 0.000 1.059 1880 A CA -0.553 51.516 52.037 0.053 0.000 0.710 1880 A CB 2.235 21.266 19.000 0.052 0.000 1.288 1880 A HN 1.204 nan 8.150 nan 0.000 0.408 1881 V N 0.889 120.815 119.914 0.021 0.000 2.588 1881 V HA 0.779 4.903 4.120 0.006 0.000 0.304 1881 V C 0.225 176.318 176.094 -0.001 0.000 1.042 1881 V CA -0.172 62.133 62.300 0.009 0.000 0.877 1881 V CB 1.525 33.353 31.823 0.009 0.000 0.996 1881 V HN 1.456 nan 8.190 nan 0.000 0.425 1882 A N 4.046 126.860 122.820 -0.010 0.000 2.374 1882 A HA 0.985 5.308 4.320 0.006 0.000 0.317 1882 A C -0.708 176.861 177.584 -0.025 0.000 1.094 1882 A CA -0.647 51.378 52.037 -0.020 0.000 0.765 1882 A CB 2.051 21.034 19.000 -0.028 0.000 1.268 1882 A HN 1.599 nan 8.150 nan 0.000 0.438 1883 V N 0.121 120.018 119.914 -0.028 0.000 2.638 1883 V HA 0.875 4.998 4.120 0.006 0.000 0.306 1883 V C -0.233 175.839 176.094 -0.037 0.000 1.052 1883 V CA -0.124 62.158 62.300 -0.031 0.000 0.885 1883 V CB 1.048 32.857 31.823 -0.024 0.000 0.999 1883 V HN 1.352 nan 8.190 nan 0.000 0.424 1884 S N 2.807 118.481 115.700 -0.043 0.000 2.578 1884 S HA 0.862 5.336 4.470 0.006 0.000 0.301 1884 S C -0.204 174.371 174.600 -0.041 0.000 1.091 1884 S CA -0.631 57.541 58.200 -0.047 0.000 1.032 1884 S CB 1.938 65.102 63.200 -0.060 0.000 1.064 1884 S HN 0.969 nan 8.310 nan 0.000 0.508 1885 T N 2.137 116.668 114.554 -0.038 0.000 2.863 1885 T HA 0.560 4.914 4.350 0.006 0.000 0.285 1885 T C -0.525 174.155 174.700 -0.034 0.000 1.009 1885 T CA -0.845 61.236 62.100 -0.033 0.000 0.989 1885 T CB 1.402 70.253 68.868 -0.028 0.000 1.004 1885 T HN 0.625 nan 8.240 nan 0.000 0.455 1886 K N 0.000 120.382 120.400 -0.030 0.000 2.780 1886 K HA 0.000 4.324 4.320 0.006 0.000 0.191 1886 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 1886 K CB 0.000 32.481 32.500 -0.031 0.000 1.064 1886 K HN 0.000 nan 8.250 nan 0.000 0.543