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_E DATA FIRST_RESID 1767 DATA SEQUENCE GGVGVDVELI TSINVENDTF IERNFTPQEI EYCSAQPSVQ SSFAGTWSAK DATA SEQUENCE EAVFKSLGVK SLGGGAALKD 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 3.961 3.960 0.001 0.000 0.244 1767 G C 0.000 174.873 174.900 -0.046 0.000 0.946 1767 G CA 0.000 45.078 45.100 -0.037 0.000 0.502 1768 G N -1.896 106.875 108.800 -0.049 0.000 2.667 1768 G HA2 0.699 4.659 3.960 0.001 0.000 0.294 1768 G HA3 0.699 4.659 3.960 0.001 0.000 0.294 1768 G C -1.939 172.928 174.900 -0.056 0.000 1.467 1768 G CA 0.167 45.231 45.100 -0.060 0.000 0.852 1768 G HN 1.688 nan 8.290 nan 0.000 0.521 1769 V N -0.010 119.870 119.914 -0.056 0.000 2.876 1769 V HA 0.998 5.118 4.120 0.001 0.000 0.312 1769 V C 0.012 176.076 176.094 -0.050 0.000 1.085 1769 V CA 0.269 62.541 62.300 -0.047 0.000 0.945 1769 V CB 2.221 34.024 31.823 -0.034 0.000 1.017 1769 V HN 1.704 nan 8.190 nan 0.000 0.428 1770 G N 3.007 111.781 108.800 -0.043 0.000 2.682 1770 G HA2 0.653 4.614 3.960 0.001 0.000 0.300 1770 G HA3 0.653 4.614 3.960 0.001 0.000 0.300 1770 G C -1.981 172.907 174.900 -0.020 0.000 1.391 1770 G CA -0.393 44.686 45.100 -0.035 0.000 0.990 1770 G HN 1.113 nan 8.290 nan 0.000 0.501 1771 V N 0.911 120.820 119.914 -0.008 0.000 2.841 1771 V HA 0.829 4.950 4.120 0.001 0.000 0.310 1771 V C -1.797 174.304 176.094 0.012 0.000 1.090 1771 V CA -0.734 61.566 62.300 -0.001 0.000 0.930 1771 V CB 2.476 34.301 31.823 0.002 0.000 1.014 1771 V HN 0.894 nan 8.190 nan 0.000 0.425 1772 D N 2.937 123.346 120.400 0.015 0.000 2.947 1772 D HA 0.587 5.227 4.640 0.001 0.000 0.224 1772 D C -1.838 174.492 176.300 0.050 0.000 1.230 1772 D CA -0.179 53.841 54.000 0.033 0.000 0.871 1772 D CB 2.428 43.238 40.800 0.017 0.000 1.671 1772 D HN 0.517 nan 8.370 nan 0.000 0.507 1773 V N 2.999 122.955 119.914 0.070 0.000 2.604 1773 V HA 0.665 4.786 4.120 0.001 0.000 0.305 1773 V C -1.345 174.821 176.094 0.121 0.000 1.043 1773 V CA -0.280 62.068 62.300 0.081 0.000 0.888 1773 V CB 1.744 33.603 31.823 0.059 0.000 0.995 1773 V HN 0.552 nan 8.190 nan 0.000 0.429 1774 E N 4.665 124.951 120.200 0.144 0.000 2.314 1774 E HA 0.397 4.748 4.350 0.001 0.000 0.272 1774 E C -1.350 175.330 176.600 0.132 0.000 0.884 1774 E CA -0.848 55.658 56.400 0.176 0.000 0.753 1774 E CB 2.354 32.229 29.700 0.292 0.000 1.213 1774 E HN 0.479 nan 8.360 nan 0.000 0.432 1775 L N 3.155 124.437 121.223 0.098 0.000 2.490 1775 L HA -0.007 4.334 4.340 0.001 0.000 0.274 1775 L C 1.755 178.674 176.870 0.082 0.000 1.201 1775 L CA 0.286 55.169 54.840 0.072 0.000 0.869 1775 L CB 0.077 42.159 42.059 0.040 0.000 1.123 1775 L HN 0.615 nan 8.230 nan 0.000 0.484 1776 I N 1.736 122.356 120.570 0.084 0.000 2.264 1776 I HA -0.246 3.924 4.170 0.001 0.000 0.248 1776 I C 2.078 178.224 176.117 0.050 0.000 1.111 1776 I CA 1.769 63.124 61.300 0.090 0.000 1.382 1776 I CB -1.429 36.620 38.000 0.082 0.000 1.060 1776 I HN 0.836 nan 8.210 nan 0.000 0.418 1777 T N -1.836 112.730 114.554 0.020 0.000 3.160 1777 T HA -0.024 4.326 4.350 0.001 0.000 0.257 1777 T C 1.773 176.442 174.700 -0.052 0.000 1.147 1777 T CA 0.797 62.889 62.100 -0.014 0.000 1.064 1777 T CB -0.526 68.332 68.868 -0.017 0.000 0.949 1777 T HN 0.432 nan 8.240 nan 0.000 0.526 1778 S N 0.862 116.532 115.700 -0.048 0.000 2.453 1778 S HA 0.160 4.631 4.470 0.001 0.000 0.231 1778 S C 0.812 175.280 174.600 -0.221 0.000 1.005 1778 S CA -0.243 57.885 58.200 -0.120 0.000 0.949 1778 S CB -0.467 62.686 63.200 -0.077 0.000 0.774 1778 S HN 0.464 nan 8.310 nan 0.000 0.510 1779 I N 3.523 124.013 120.570 -0.134 0.000 2.315 1779 I HA 0.336 4.506 4.170 0.001 0.000 0.291 1779 I C -0.241 175.788 176.117 -0.147 0.000 1.006 1779 I CA -0.399 60.810 61.300 -0.151 0.000 1.265 1779 I CB 0.839 38.844 38.000 0.009 0.000 1.387 1779 I HN 0.209 nan 8.210 nan 0.000 0.475 1780 N N 6.640 125.212 118.700 -0.214 0.000 2.500 1780 N HA 0.128 4.869 4.740 0.001 0.000 0.236 1780 N C 0.749 176.162 175.510 -0.162 0.000 1.022 1780 N CA -0.223 52.728 53.050 -0.164 0.000 0.935 1780 N CB 1.368 39.748 38.487 -0.178 0.000 1.147 1780 N HN 0.343 nan 8.380 nan 0.000 0.512 1781 V N 2.745 122.564 119.914 -0.158 0.000 2.867 1781 V HA -0.143 3.977 4.120 0.001 0.000 0.260 1781 V C 1.393 177.393 176.094 -0.157 0.000 1.099 1781 V CA 1.394 63.563 62.300 -0.219 0.000 1.122 1781 V CB -0.406 31.353 31.823 -0.108 0.000 0.708 1781 V HN 0.552 nan 8.190 nan 0.000 0.490 1782 E N -0.445 119.693 120.200 -0.103 0.000 2.385 1782 E HA 0.013 4.363 4.350 0.001 0.000 0.194 1782 E C 1.250 177.815 176.600 -0.057 0.000 1.013 1782 E CA 0.030 56.389 56.400 -0.069 0.000 0.866 1782 E CB -0.384 29.284 29.700 -0.054 0.000 0.832 1782 E HN 0.451 nan 8.360 nan 0.000 0.500 1783 N N 1.945 120.610 118.700 -0.059 0.000 2.819 1783 N HA -0.043 4.697 4.740 0.001 0.000 0.284 1783 N C -0.152 175.371 175.510 0.022 0.000 1.196 1783 N CA 0.113 53.153 53.050 -0.016 0.000 1.114 1783 N CB 0.102 38.573 38.487 -0.027 0.000 1.437 1783 N HN -0.078 nan 8.380 nan 0.000 0.518 1784 D N 0.670 121.069 120.400 -0.002 0.000 2.182 1784 D HA -0.134 4.507 4.640 0.001 0.000 0.201 1784 D C 1.161 177.475 176.300 0.025 0.000 0.986 1784 D CA 1.376 55.374 54.000 -0.004 0.000 0.847 1784 D CB 0.115 40.912 40.800 -0.005 0.000 0.942 1784 D HN 0.461 nan 8.370 nan 0.000 0.467 1785 T N 0.383 114.965 114.554 0.046 0.000 2.708 1785 T HA -0.150 4.200 4.350 0.001 0.000 0.266 1785 T C 1.709 176.463 174.700 0.089 0.000 1.037 1785 T CA 0.752 62.886 62.100 0.058 0.000 1.146 1785 T CB -0.469 68.434 68.868 0.057 0.000 0.865 1785 T HN 0.152 nan 8.240 nan 0.000 0.435 1786 F N 1.987 121.924 119.950 -0.021 0.000 2.102 1786 F HA -0.091 4.437 4.527 0.001 0.000 0.298 1786 F C 1.925 177.764 175.800 0.066 0.000 1.105 1786 F CA 0.994 58.988 58.000 -0.011 0.000 1.239 1786 F CB -0.380 38.574 39.000 -0.078 0.000 0.991 1786 F HN -0.001 nan 8.300 nan 0.000 0.474 1787 I N 1.034 121.595 120.570 -0.016 0.000 2.142 1787 I HA -0.284 3.886 4.170 0.001 0.000 0.240 1787 I C 2.533 178.690 176.117 0.067 0.000 1.078 1787 I CA 1.881 63.151 61.300 -0.049 0.000 1.343 1787 I CB -1.647 36.226 38.000 -0.211 0.000 1.046 1787 I HN 0.373 nan 8.210 nan 0.000 0.405 1788 E N 1.392 121.606 120.200 0.025 0.000 2.118 1788 E HA -0.273 4.077 4.350 0.001 0.000 0.195 1788 E C 2.372 178.988 176.600 0.027 0.000 0.992 1788 E CA 1.404 57.831 56.400 0.044 0.000 0.804 1788 E CB -0.106 29.610 29.700 0.028 0.000 0.741 1788 E HN 0.373 nan 8.360 nan 0.000 0.458 1789 R N -0.389 120.095 120.500 -0.025 0.000 2.148 1789 R HA 0.022 4.363 4.340 0.001 0.000 0.223 1789 R C 1.486 177.731 176.300 -0.093 0.000 1.088 1789 R CA 1.187 57.258 56.100 -0.048 0.000 0.985 1789 R CB 0.170 30.442 30.300 -0.047 0.000 0.880 1789 R HN 0.202 nan 8.270 nan 0.000 0.451 1790 N N -1.354 117.246 118.700 -0.166 0.000 2.210 1790 N HA 0.063 4.804 4.740 0.001 0.000 0.203 1790 N C -0.883 174.379 175.510 -0.412 0.000 1.175 1790 N CA 0.285 53.154 53.050 -0.303 0.000 0.894 1790 N CB 0.912 39.094 38.487 -0.508 0.000 1.041 1790 N HN -0.060 nan 8.380 nan 0.000 0.506 1791 F N 1.019 120.971 119.950 0.004 0.000 2.520 1791 F HA 0.260 4.788 4.527 0.001 0.000 0.322 1791 F C 0.909 176.757 175.800 0.081 0.000 1.103 1791 F CA -1.091 56.969 58.000 0.099 0.000 0.926 1791 F CB 1.406 40.534 39.000 0.213 0.000 1.154 1791 F HN -0.240 nan 8.300 nan 0.000 0.453 1792 T N -0.282 114.417 114.554 0.242 0.000 2.860 1792 T HA 0.196 4.546 4.350 0.001 0.000 0.299 1792 T C -2.036 172.769 174.700 0.175 0.000 1.045 1792 T CA -1.495 60.699 62.100 0.158 0.000 1.071 1792 T CB 1.200 70.139 68.868 0.118 0.000 0.985 1792 T HN 0.286 nan 8.240 nan 0.000 0.537 1793 P HA -0.165 nan 4.420 nan 0.000 0.216 1793 P C 1.644 179.011 177.300 0.111 0.000 1.150 1793 P CA 1.474 64.637 63.100 0.105 0.000 0.843 1793 P CB -0.059 31.680 31.700 0.065 0.000 0.787 1794 Q N -0.223 119.638 119.800 0.103 0.000 2.311 1794 Q HA -0.092 4.249 4.340 0.001 0.000 0.203 1794 Q C 1.769 177.847 176.000 0.130 0.000 0.954 1794 Q CA 1.452 57.315 55.803 0.100 0.000 0.885 1794 Q CB -1.093 27.692 28.738 0.077 0.000 0.963 1794 Q HN 0.256 nan 8.270 nan 0.000 0.471 1795 E N 0.685 120.982 120.200 0.162 0.000 2.072 1795 E HA -0.069 4.282 4.350 0.001 0.000 0.190 1795 E C 1.916 178.609 176.600 0.156 0.000 0.982 1795 E CA 1.220 57.740 56.400 0.199 0.000 0.803 1795 E CB -0.110 29.790 29.700 0.333 0.000 0.755 1795 E HN 0.432 nan 8.360 nan 0.000 0.453 1796 I N 1.228 121.920 120.570 0.202 0.000 2.226 1796 I HA -0.271 3.899 4.170 0.001 0.000 0.245 1796 I C 2.631 178.791 176.117 0.072 0.000 1.100 1796 I CA 1.171 62.589 61.300 0.197 0.000 1.374 1796 I CB -0.173 37.973 38.000 0.244 0.000 1.057 1796 I HN 0.154 nan 8.210 nan 0.000 0.413 1797 E N 0.456 120.706 120.200 0.083 0.000 2.072 1797 E HA -0.284 4.066 4.350 0.001 0.000 0.191 1797 E C 2.273 178.879 176.600 0.011 0.000 0.985 1797 E CA 1.316 57.745 56.400 0.048 0.000 0.801 1797 E CB -0.186 29.553 29.700 0.064 0.000 0.750 1797 E HN 0.492 nan 8.360 nan 0.000 0.452 1798 Y N 0.844 121.101 120.300 -0.071 0.000 2.089 1798 Y HA -0.305 4.246 4.550 0.001 0.000 0.282 1798 Y C 2.434 178.221 175.900 -0.188 0.000 1.139 1798 Y CA 2.058 60.100 58.100 -0.096 0.000 1.123 1798 Y CB -0.615 37.807 38.460 -0.065 0.000 0.980 1798 Y HN 0.183 nan 8.280 nan 0.000 0.493 1799 C N -0.260 118.913 119.300 -0.212 0.000 2.413 1799 C HA -0.175 4.286 4.460 0.001 0.000 0.276 1799 C C 2.843 177.532 174.990 -0.501 0.000 1.248 1799 C CA 1.577 60.251 59.018 -0.574 0.000 1.742 1799 C CB -1.432 25.436 27.740 -1.454 0.000 2.017 1799 C HN 0.630 nan 8.230 nan 0.000 0.481 1800 S N 0.656 116.159 115.700 -0.329 0.000 2.469 1800 S HA -0.035 4.436 4.470 0.001 0.000 0.238 1800 S C 1.763 176.280 174.600 -0.138 0.000 0.998 1800 S CA 1.153 59.284 58.200 -0.115 0.000 0.957 1800 S CB -0.223 62.978 63.200 0.002 0.000 0.764 1800 S HN 0.761 nan 8.310 nan 0.000 0.514 1801 A N 0.229 122.915 122.820 -0.223 0.000 2.348 1801 A HA 0.247 4.567 4.320 0.001 0.000 0.224 1801 A C 0.767 178.196 177.584 -0.259 0.000 1.227 1801 A CA -0.178 51.733 52.037 -0.210 0.000 0.885 1801 A CB 0.199 19.077 19.000 -0.204 0.000 0.933 1801 A HN 0.238 nan 8.150 nan 0.000 0.506 1802 Q N -0.061 119.547 119.800 -0.319 0.000 2.317 1802 Q HA 0.257 4.598 4.340 0.001 0.000 0.229 1802 Q C -1.617 174.280 176.000 -0.171 0.000 0.984 1802 Q CA -2.065 53.567 55.803 -0.285 0.000 0.911 1802 Q CB -0.003 28.541 28.738 -0.323 0.000 1.217 1802 Q HN 0.083 nan 8.270 nan 0.000 0.501 1803 P HA -0.102 nan 4.420 nan 0.000 0.215 1803 P C 0.141 177.391 177.300 -0.085 0.000 1.157 1803 P CA 1.246 64.290 63.100 -0.094 0.000 0.868 1803 P CB 0.306 31.958 31.700 -0.080 0.000 0.788 1804 S N -1.064 114.574 115.700 -0.103 0.000 2.532 1804 S HA 0.252 4.722 4.470 0.001 0.000 0.318 1804 S C 0.967 175.518 174.600 -0.082 0.000 1.083 1804 S CA -0.655 57.496 58.200 -0.081 0.000 1.131 1804 S CB 0.053 63.203 63.200 -0.083 0.000 0.973 1804 S HN -0.274 nan 8.310 nan 0.000 0.468 1805 V N 5.326 125.214 119.914 -0.043 0.000 2.307 1805 V HA -0.161 3.960 4.120 0.001 0.000 0.245 1805 V C 2.701 178.859 176.094 0.106 0.000 1.045 1805 V CA 2.141 64.434 62.300 -0.011 0.000 1.024 1805 V CB -0.729 31.124 31.823 0.049 0.000 0.651 1805 V HN 0.896 nan 8.190 nan 0.000 0.449 1806 Q N -0.346 119.521 119.800 0.111 0.000 2.084 1806 Q HA -0.227 4.114 4.340 0.001 0.000 0.202 1806 Q C 2.494 178.583 176.000 0.147 0.000 0.978 1806 Q CA 2.047 57.940 55.803 0.149 0.000 0.844 1806 Q CB -0.216 28.564 28.738 0.071 0.000 0.898 1806 Q HN 0.587 nan 8.270 nan 0.000 0.426 1807 S N -0.680 115.057 115.700 0.062 0.000 2.382 1807 S HA -0.141 4.330 4.470 0.001 0.000 0.228 1807 S C 1.989 176.626 174.600 0.061 0.000 1.027 1807 S CA 1.441 59.668 58.200 0.046 0.000 0.991 1807 S CB -0.319 62.830 63.200 -0.086 0.000 0.823 1807 S HN 0.461 nan 8.310 nan 0.000 0.469 1808 S N -0.273 115.411 115.700 -0.027 0.000 2.355 1808 S HA -0.023 4.448 4.470 0.001 0.000 0.222 1808 S C 1.516 176.189 174.600 0.121 0.000 1.031 1808 S CA 1.235 59.440 58.200 0.009 0.000 0.993 1808 S CB -0.566 62.552 63.200 -0.136 0.000 0.859 1808 S HN 0.588 nan 8.310 nan 0.000 0.453 1809 F N 1.987 121.996 119.950 0.098 0.000 2.134 1809 F HA 0.010 4.537 4.527 0.001 0.000 0.299 1809 F C 2.575 178.564 175.800 0.316 0.000 1.097 1809 F CA 0.912 58.964 58.000 0.086 0.000 1.264 1809 F CB -0.998 37.925 39.000 -0.127 0.000 1.001 1809 F HN 0.261 nan 8.300 nan 0.000 0.479 1810 A N 0.053 123.145 122.820 0.453 0.000 1.908 1810 A HA -0.094 4.227 4.320 0.001 0.000 0.218 1810 A C 2.575 180.430 177.584 0.451 0.000 1.181 1810 A CA 1.859 54.152 52.037 0.427 0.000 0.627 1810 A CB -1.597 17.582 19.000 0.297 0.000 0.818 1810 A HN 0.411 nan 8.150 nan 0.000 0.445 1811 G N -1.288 107.769 108.800 0.428 0.000 2.402 1811 G HA2 -0.117 3.843 3.960 0.001 0.000 0.216 1811 G HA3 -0.117 3.843 3.960 0.001 0.000 0.216 1811 G C 1.565 176.639 174.900 0.291 0.000 1.162 1811 G CA 1.595 46.886 45.100 0.319 0.000 0.777 1811 G HN 0.431 nan 8.290 nan 0.000 0.539 1812 T N -0.105 114.678 114.554 0.382 0.000 2.746 1812 T HA -0.146 4.205 4.350 0.001 0.000 0.267 1812 T C 1.800 176.742 174.700 0.403 0.000 1.039 1812 T CA 1.025 63.351 62.100 0.377 0.000 1.142 1812 T CB -0.267 68.897 68.868 0.492 0.000 0.866 1812 T HN 0.513 nan 8.240 nan 0.000 0.444 1813 W N 1.975 123.509 121.300 0.389 0.000 2.335 1813 W HA -0.192 4.468 4.660 0.001 0.000 0.311 1813 W C 2.173 178.775 176.519 0.138 0.000 1.213 1813 W CA 1.412 58.906 57.345 0.248 0.000 1.274 1813 W CB -0.445 29.247 29.460 0.386 0.000 1.148 1813 W HN 0.241 nan 8.180 nan 0.000 0.498 1814 S N 0.994 116.838 115.700 0.240 0.000 2.370 1814 S HA -0.175 4.295 4.470 0.001 0.000 0.226 1814 S C 2.102 176.685 174.600 -0.029 0.000 1.033 1814 S CA 1.692 59.939 58.200 0.079 0.000 1.011 1814 S CB -0.847 62.433 63.200 0.133 0.000 0.852 1814 S HN 0.378 nan 8.310 nan 0.000 0.457 1815 A N 1.872 124.695 122.820 0.005 0.000 1.902 1815 A HA -0.143 4.177 4.320 0.001 0.000 0.217 1815 A C 2.062 179.594 177.584 -0.086 0.000 1.181 1815 A CA 1.552 53.572 52.037 -0.028 0.000 0.623 1815 A CB -0.462 18.540 19.000 0.003 0.000 0.818 1815 A HN 0.463 nan 8.150 nan 0.000 0.443 1816 K N -0.356 119.952 120.400 -0.153 0.000 2.032 1816 K HA -0.148 4.172 4.320 0.001 0.000 0.209 1816 K C 1.991 178.443 176.600 -0.247 0.000 1.048 1816 K CA 1.490 57.633 56.287 -0.239 0.000 0.927 1816 K CB -0.151 32.105 32.500 -0.406 0.000 0.712 1816 K HN 0.454 nan 8.250 nan 0.000 0.441 1817 E N 0.546 120.539 120.200 -0.344 0.000 2.072 1817 E HA -0.151 4.200 4.350 0.001 0.000 0.191 1817 E C 2.133 178.710 176.600 -0.037 0.000 0.985 1817 E CA 1.111 57.373 56.400 -0.231 0.000 0.801 1817 E CB -0.184 29.349 29.700 -0.278 0.000 0.750 1817 E HN 0.315 nan 8.360 nan 0.000 0.452 1818 A N 1.338 124.126 122.820 -0.053 0.000 1.858 1818 A HA -0.154 4.166 4.320 0.001 0.000 0.216 1818 A C 2.652 180.222 177.584 -0.023 0.000 1.190 1818 A CA 1.601 53.624 52.037 -0.023 0.000 0.617 1818 A CB -0.878 18.105 19.000 -0.029 0.000 0.827 1818 A HN 0.123 nan 8.150 nan 0.000 0.443 1819 V N -0.968 118.926 119.914 -0.034 0.000 2.282 1819 V HA -0.298 3.823 4.120 0.001 0.000 0.249 1819 V C 2.322 178.401 176.094 -0.025 0.000 1.057 1819 V CA 2.373 64.650 62.300 -0.038 0.000 1.032 1819 V CB -1.009 30.786 31.823 -0.047 0.000 0.645 1819 V HN 0.661 nan 8.190 nan 0.000 0.447 1820 F N 1.244 121.122 119.950 -0.121 0.000 2.126 1820 F HA -0.200 4.327 4.527 0.001 0.000 0.299 1820 F C 2.354 178.106 175.800 -0.080 0.000 1.096 1820 F CA 1.946 59.882 58.000 -0.107 0.000 1.255 1820 F CB -0.309 38.612 39.000 -0.132 0.000 0.997 1820 F HN 0.018 nan 8.300 nan 0.000 0.479 1821 K N 0.025 120.363 120.400 -0.103 0.000 2.209 1821 K HA -0.131 4.189 4.320 0.001 0.000 0.204 1821 K C 2.214 178.681 176.600 -0.222 0.000 1.048 1821 K CA 1.405 57.582 56.287 -0.183 0.000 0.940 1821 K CB -0.362 32.134 32.500 -0.007 0.000 0.729 1821 K HN 0.436 nan 8.250 nan 0.000 0.451 1822 S N 0.638 116.235 115.700 -0.171 0.000 2.496 1822 S HA 0.026 4.496 4.470 0.001 0.000 0.224 1822 S C 1.851 176.350 174.600 -0.167 0.000 0.996 1822 S CA 0.302 58.420 58.200 -0.137 0.000 0.927 1822 S CB -0.249 62.895 63.200 -0.093 0.000 0.774 1822 S HN 0.177 nan 8.310 nan 0.000 0.524 1823 L N 1.063 122.139 121.223 -0.245 0.000 2.217 1823 L HA 0.187 4.528 4.340 0.001 0.000 0.211 1823 L C 1.786 178.524 176.870 -0.220 0.000 1.107 1823 L CA 0.604 55.307 54.840 -0.227 0.000 0.783 1823 L CB -1.223 40.676 42.059 -0.267 0.000 0.919 1823 L HN 0.606 nan 8.230 nan 0.000 0.442 1824 G N 1.210 109.845 108.800 -0.274 0.000 2.289 1824 G HA2 -0.180 3.781 3.960 0.001 0.000 0.280 1824 G HA3 -0.180 3.781 3.960 0.001 0.000 0.280 1824 G C -0.092 174.695 174.900 -0.190 0.000 1.089 1824 G CA 0.283 45.262 45.100 -0.201 0.000 0.939 1824 G HN 0.314 nan 8.290 nan 0.000 0.499 1825 V N -3.913 115.835 119.914 -0.277 0.000 3.155 1825 V HA 0.873 4.994 4.120 0.001 0.000 0.313 1825 V C 0.412 176.442 176.094 -0.107 0.000 1.162 1825 V CA -1.545 60.654 62.300 -0.169 0.000 1.048 1825 V CB 1.904 33.644 31.823 -0.139 0.000 1.092 1825 V HN 0.404 nan 8.190 nan 0.000 0.447 1826 K N 1.082 121.493 120.400 0.018 0.000 2.218 1826 K HA 0.460 4.780 4.320 0.001 0.000 0.276 1826 K C 0.252 177.007 176.600 0.259 0.000 1.022 1826 K CA -0.032 56.315 56.287 0.101 0.000 0.946 1826 K CB 1.254 33.793 32.500 0.064 0.000 1.000 1826 K HN 1.014 nan 8.250 nan 0.000 0.468 1827 S N 3.403 119.289 115.700 0.311 0.000 2.564 1827 S HA 0.117 4.588 4.470 0.001 0.000 0.278 1827 S C 1.124 175.775 174.600 0.084 0.000 1.333 1827 S CA -0.527 57.831 58.200 0.262 0.000 1.048 1827 S CB 0.365 63.653 63.200 0.146 0.000 0.900 1827 S HN 0.622 nan 8.310 nan 0.000 0.505 1828 L N 4.082 125.307 121.223 0.004 0.000 2.599 1828 L HA 0.315 4.656 4.340 0.001 0.000 0.230 1828 L C 1.255 178.115 176.870 -0.016 0.000 1.141 1828 L CA 0.369 55.208 54.840 -0.003 0.000 0.877 1828 L CB -0.996 41.054 42.059 -0.016 0.000 1.009 1828 L HN 0.971 nan 8.230 nan 0.000 0.447 1829 G N -1.726 107.054 108.800 -0.034 0.000 2.402 1829 G HA2 0.003 3.963 3.960 0.001 0.000 0.666 1829 G HA3 0.003 3.963 3.960 0.001 0.000 0.666 1829 G C 0.428 175.308 174.900 -0.032 0.000 1.402 1829 G CA -0.597 44.492 45.100 -0.019 0.000 0.920 1829 G HN 0.019 nan 8.290 nan 0.000 0.651 1830 G N -0.345 108.453 108.800 -0.003 0.000 2.485 1830 G HA2 0.226 4.187 3.960 0.001 0.000 0.221 1830 G HA3 0.226 4.187 3.960 0.001 0.000 0.221 1830 G C 1.573 176.503 174.900 0.050 0.000 1.115 1830 G CA 1.764 46.874 45.100 0.018 0.000 0.751 1830 G HN 1.834 nan 8.290 nan 0.000 0.567 1831 G N -0.359 108.466 108.800 0.042 0.000 3.126 1831 G HA2 0.464 4.425 3.960 0.001 0.000 0.224 1831 G HA3 0.464 4.425 3.960 0.001 0.000 0.224 1831 G C 0.674 175.613 174.900 0.064 0.000 1.142 1831 G CA 0.606 45.750 45.100 0.073 0.000 0.759 1831 G HN 0.630 nan 8.290 nan 0.000 0.550 1832 A N 0.659 123.486 122.820 0.011 0.000 2.477 1832 A HA 0.670 4.990 4.320 0.001 0.000 0.246 1832 A C 0.926 178.501 177.584 -0.014 0.000 1.078 1832 A CA 0.293 52.320 52.037 -0.016 0.000 0.770 1832 A CB 0.256 19.217 19.000 -0.064 0.000 1.011 1832 A HN 0.910 nan 8.150 nan 0.000 0.494 1833 A N 1.691 124.504 122.820 -0.011 0.000 2.425 1833 A HA 0.489 4.809 4.320 0.001 0.000 0.242 1833 A C 0.464 177.995 177.584 -0.089 0.000 1.077 1833 A CA -0.109 51.913 52.037 -0.025 0.000 0.781 1833 A CB -0.053 18.930 19.000 -0.028 0.000 1.020 1833 A HN 0.966 nan 8.150 nan 0.000 0.494 1834 L N 1.534 122.674 121.223 -0.137 0.000 3.066 1834 L HA 0.205 4.545 4.340 0.001 0.000 0.265 1834 L C 1.876 178.636 176.870 -0.183 0.000 1.232 1834 L CA 0.005 54.714 54.840 -0.219 0.000 1.031 1834 L CB -0.062 41.747 42.059 -0.416 0.000 1.379 1834 L HN 0.962 nan 8.230 nan 0.000 0.563 1835 K N 0.585 120.913 120.400 -0.120 0.000 2.209 1835 K HA -0.172 4.148 4.320 0.001 0.000 0.204 1835 K C 1.034 177.635 176.600 0.002 0.000 1.048 1835 K CA 1.270 57.517 56.287 -0.065 0.000 0.940 1835 K CB 0.266 32.749 32.500 -0.028 0.000 0.729 1835 K HN 0.276 nan 8.250 nan 0.000 0.451 1836 D N 0.526 120.928 120.400 0.002 0.000 2.264 1836 D HA -0.057 4.584 4.640 0.001 0.000 0.208 1836 D C 0.316 176.630 176.300 0.024 0.000 0.966 1836 D CA 0.835 54.869 54.000 0.057 0.000 0.864 1836 D CB 0.125 40.945 40.800 0.033 0.000 0.933 1836 D HN 0.251 nan 8.370 nan 0.000 0.499 1837 I N 1.476 122.025 120.570 -0.034 0.000 2.307 1837 I HA 0.132 4.302 4.170 0.001 0.000 0.287 1837 I C 0.279 176.362 176.117 -0.057 0.000 1.054 1837 I CA -0.380 60.879 61.300 -0.068 0.000 1.218 1837 I CB 0.962 38.912 38.000 -0.083 0.000 1.398 1837 I HN -0.236 nan 8.210 nan 0.000 0.475 1838 E N 6.980 127.152 120.200 -0.046 0.000 2.175 1838 E HA 0.385 4.735 4.350 0.001 0.000 0.278 1838 E C -0.892 175.697 176.600 -0.019 0.000 0.969 1838 E CA -0.817 55.591 56.400 0.013 0.000 0.796 1838 E CB 1.293 31.067 29.700 0.123 0.000 1.104 1838 E HN 0.379 nan 8.360 nan 0.000 0.395 1839 I N 5.935 126.506 120.570 0.001 0.000 2.304 1839 I HA 0.145 4.316 4.170 0.001 0.000 0.291 1839 I C 0.065 176.151 176.117 -0.051 0.000 1.018 1839 I CA -0.640 60.643 61.300 -0.028 0.000 1.260 1839 I CB 0.541 38.533 38.000 -0.013 0.000 1.390 1839 I HN 0.297 nan 8.210 nan 0.000 0.475 1840 V N 5.969 125.842 119.914 -0.067 0.000 2.483 1840 V HA 0.683 4.803 4.120 0.001 0.000 0.295 1840 V C 0.006 176.021 176.094 -0.131 0.000 1.035 1840 V CA -0.893 61.359 62.300 -0.080 0.000 0.896 1840 V CB 2.086 33.889 31.823 -0.033 0.000 0.986 1840 V HN 0.576 nan 8.190 nan 0.000 0.447 1841 R N 2.771 123.159 120.500 -0.187 0.000 2.637 1841 R HA 0.757 5.098 4.340 0.001 0.000 0.291 1841 R C -1.366 174.880 176.300 -0.091 0.000 0.963 1841 R CA -0.849 55.114 56.100 -0.229 0.000 0.901 1841 R CB 2.166 32.111 30.300 -0.591 0.000 1.160 1841 R HN 0.633 nan 8.270 nan 0.000 0.457 1842 V N 3.197 123.085 119.914 -0.044 0.000 2.327 1842 V HA 0.084 4.205 4.120 0.001 0.000 0.272 1842 V C -0.039 176.072 176.094 0.028 0.000 1.019 1842 V CA -1.114 61.187 62.300 0.002 0.000 0.814 1842 V CB 1.032 32.854 31.823 -0.002 0.000 1.040 1842 V HN 0.759 nan 8.190 nan 0.000 0.440 1843 N N 5.344 124.082 118.700 0.062 0.000 1.507 1843 N HA -0.218 4.523 4.740 0.001 0.000 0.385 1843 N C 1.040 176.581 175.510 0.051 0.000 1.197 1843 N CA 1.152 54.247 53.050 0.076 0.000 0.758 1843 N CB 0.266 38.792 38.487 0.065 0.000 0.964 1843 N HN 0.705 nan 8.380 nan 0.000 0.541 1844 K N -1.426 119.008 120.400 0.056 0.000 3.529 1844 K HA -0.271 4.050 4.320 0.001 0.000 0.313 1844 K C -0.461 176.157 176.600 0.031 0.000 1.316 1844 K CA 1.193 57.504 56.287 0.040 0.000 0.988 1844 K CB -1.721 30.797 32.500 0.030 0.000 1.252 1844 K HN 0.709 nan 8.250 nan 0.000 0.438 1845 N N -0.183 118.534 118.700 0.027 0.000 2.619 1845 N HA 0.529 5.270 4.740 0.001 0.000 0.294 1845 N C -0.401 175.113 175.510 0.007 0.000 1.279 1845 N CA 0.019 53.077 53.050 0.014 0.000 0.867 1845 N CB 1.479 39.970 38.487 0.007 0.000 1.329 1845 N HN 0.152 nan 8.380 nan 0.000 0.557 1846 A N 1.040 123.859 122.820 -0.002 0.000 2.425 1846 A HA 0.370 4.690 4.320 0.001 0.000 0.242 1846 A C -2.114 175.453 177.584 -0.029 0.000 1.077 1846 A CA -0.587 51.443 52.037 -0.011 0.000 0.781 1846 A CB -0.670 18.323 19.000 -0.012 0.000 1.020 1846 A HN 0.382 nan 8.150 nan 0.000 0.494 1847 P HA 0.498 nan 4.420 nan 0.000 0.274 1847 P C -0.556 176.712 177.300 -0.053 0.000 1.231 1847 P CA -0.012 63.049 63.100 -0.065 0.000 0.790 1847 P CB 1.154 32.817 31.700 -0.062 0.000 0.951 1848 A N 1.693 124.477 122.820 -0.060 0.000 2.430 1848 A HA 0.685 5.006 4.320 0.001 0.000 0.300 1848 A C -1.034 176.516 177.584 -0.057 0.000 1.124 1848 A CA -0.683 51.323 52.037 -0.051 0.000 0.766 1848 A CB 1.269 20.243 19.000 -0.043 0.000 1.328 1848 A HN 0.310 nan 8.150 nan 0.000 0.424 1849 V N 0.963 120.842 119.914 -0.059 0.000 2.483 1849 V HA 0.486 4.606 4.120 0.001 0.000 0.295 1849 V C -0.237 175.799 176.094 -0.096 0.000 1.035 1849 V CA -0.351 61.905 62.300 -0.074 0.000 0.896 1849 V CB 1.373 33.152 31.823 -0.072 0.000 0.986 1849 V HN 0.912 nan 8.190 nan 0.000 0.447 1850 E N 4.201 124.318 120.200 -0.137 0.000 2.244 1850 E HA 0.521 4.872 4.350 0.001 0.000 0.260 1850 E C -1.392 174.954 176.600 -0.424 0.000 0.884 1850 E CA -0.546 55.709 56.400 -0.242 0.000 0.777 1850 E CB 2.145 31.720 29.700 -0.207 0.000 1.197 1850 E HN 0.539 nan 8.360 nan 0.000 0.416 1851 L N 3.422 124.415 121.223 -0.384 0.000 2.334 1851 L HA 0.492 4.833 4.340 0.001 0.000 0.277 1851 L C -0.122 176.472 176.870 -0.459 0.000 1.075 1851 L CA -0.421 54.218 54.840 -0.335 0.000 0.804 1851 L CB 0.684 42.651 42.059 -0.154 0.000 1.174 1851 L HN 0.555 nan 8.230 nan 0.000 0.438 1852 H N 0.106 119.170 119.070 -0.011 0.000 2.908 1852 H HA 0.597 5.153 4.556 0.001 0.000 0.350 1852 H C 0.634 175.959 175.328 -0.006 0.000 1.217 1852 H CA 0.003 56.046 56.048 -0.008 0.000 1.168 1852 H CB 1.587 31.345 29.762 -0.007 0.000 1.891 1852 H HN 0.742 nan 8.280 nan 0.000 0.566 1853 G N 0.754 109.640 108.800 0.143 0.000 2.672 1853 G HA2 -0.472 3.489 3.960 0.001 0.000 0.324 1853 G HA3 -0.472 3.489 3.960 0.001 0.000 0.324 1853 G C 1.022 175.949 174.900 0.046 0.000 1.286 1853 G CA 0.998 46.141 45.100 0.072 0.000 1.004 1853 G HN 0.673 nan 8.290 nan 0.000 0.548 1854 N N 1.139 119.860 118.700 0.036 0.000 2.223 1854 N HA 0.035 4.776 4.740 0.001 0.000 0.185 1854 N C 2.567 178.095 175.510 0.031 0.000 1.016 1854 N CA 2.118 55.186 53.050 0.030 0.000 0.863 1854 N CB -0.783 37.721 38.487 0.027 0.000 0.983 1854 N HN 0.843 nan 8.380 nan 0.000 0.429 1855 A N 1.252 124.091 122.820 0.032 0.000 1.902 1855 A HA -0.175 4.146 4.320 0.001 0.000 0.217 1855 A C 2.208 179.793 177.584 0.001 0.000 1.181 1855 A CA 1.552 53.605 52.037 0.026 0.000 0.623 1855 A CB -0.474 18.534 19.000 0.013 0.000 0.818 1855 A HN 0.279 nan 8.150 nan 0.000 0.443 1856 K N -0.131 120.267 120.400 -0.004 0.000 2.026 1856 K HA -0.176 4.145 4.320 0.001 0.000 0.208 1856 K C 2.081 178.676 176.600 -0.007 0.000 1.048 1856 K CA 1.751 58.028 56.287 -0.016 0.000 0.929 1856 K CB -0.191 32.307 32.500 -0.003 0.000 0.713 1856 K HN 0.448 nan 8.250 nan 0.000 0.439 1857 K N 0.026 120.429 120.400 0.005 0.000 2.009 1857 K HA -0.152 4.168 4.320 0.001 0.000 0.210 1857 K C 2.200 178.799 176.600 -0.002 0.000 1.049 1857 K CA 1.470 57.760 56.287 0.004 0.000 0.929 1857 K CB -0.240 32.266 32.500 0.010 0.000 0.714 1857 K HN 0.213 nan 8.250 nan 0.000 0.440 1858 A N 1.463 124.285 122.820 0.003 0.000 1.902 1858 A HA -0.150 4.170 4.320 0.001 0.000 0.217 1858 A C 2.362 179.932 177.584 -0.024 0.000 1.181 1858 A CA 1.947 53.983 52.037 -0.003 0.000 0.623 1858 A CB -0.717 18.293 19.000 0.017 0.000 0.818 1858 A HN 0.369 nan 8.150 nan 0.000 0.443 1859 A N -0.259 122.543 122.820 -0.029 0.000 1.858 1859 A HA -0.178 4.143 4.320 0.001 0.000 0.216 1859 A C 1.930 179.491 177.584 -0.039 0.000 1.190 1859 A CA 1.704 53.713 52.037 -0.046 0.000 0.617 1859 A CB -0.609 18.361 19.000 -0.050 0.000 0.827 1859 A HN 0.610 nan 8.150 nan 0.000 0.443 1860 E N -0.732 119.451 120.200 -0.028 0.000 2.085 1860 E HA -0.230 4.121 4.350 0.001 0.000 0.194 1860 E C 2.025 178.612 176.600 -0.022 0.000 0.994 1860 E CA 1.296 57.682 56.400 -0.024 0.000 0.801 1860 E CB -0.134 29.556 29.700 -0.016 0.000 0.743 1860 E HN 0.783 nan 8.360 nan 0.000 0.453 1861 E N -0.068 120.120 120.200 -0.019 0.000 2.204 1861 E HA -0.152 4.199 4.350 0.001 0.000 0.195 1861 E C 1.483 178.068 176.600 -0.025 0.000 0.990 1861 E CA 0.846 57.235 56.400 -0.018 0.000 0.821 1861 E CB 0.052 29.745 29.700 -0.013 0.000 0.750 1861 E HN 0.221 nan 8.360 nan 0.000 0.477 1862 A N -0.469 122.331 122.820 -0.034 0.000 2.275 1862 A HA 0.315 4.635 4.320 0.001 0.000 0.212 1862 A C 1.585 179.146 177.584 -0.040 0.000 1.201 1862 A CA 0.726 52.738 52.037 -0.042 0.000 0.843 1862 A CB -0.004 18.960 19.000 -0.060 0.000 0.873 1862 A HN 0.382 nan 8.150 nan 0.000 0.492 1863 G N -1.065 107.715 108.800 -0.034 0.000 2.143 1863 G HA2 -0.208 3.753 3.960 0.001 0.000 0.249 1863 G HA3 -0.208 3.753 3.960 0.001 0.000 0.249 1863 G C 0.215 175.093 174.900 -0.036 0.000 0.981 1863 G CA 0.147 45.228 45.100 -0.031 0.000 0.665 1863 G HN 0.758 nan 8.290 nan 0.000 0.528 1864 V N 1.645 121.533 119.914 -0.043 0.000 2.529 1864 V HA 0.374 4.495 4.120 0.001 0.000 0.292 1864 V C 1.790 177.859 176.094 -0.041 0.000 1.028 1864 V CA 1.384 63.655 62.300 -0.047 0.000 1.074 1864 V CB 1.085 32.873 31.823 -0.059 0.000 0.958 1864 V HN 0.739 nan 8.190 nan 0.000 0.481 1865 T N -0.289 114.243 114.554 -0.038 0.000 2.990 1865 T HA 0.228 4.579 4.350 0.001 0.000 0.250 1865 T C 0.169 174.848 174.700 -0.036 0.000 1.041 1865 T CA 0.107 62.187 62.100 -0.033 0.000 1.010 1865 T CB 0.335 69.187 68.868 -0.027 0.000 1.003 1865 T HN 0.599 nan 8.240 nan 0.000 0.499 1866 D N -0.369 120.006 120.400 -0.040 0.000 2.663 1866 D HA 0.516 5.157 4.640 0.001 0.000 0.233 1866 D C -1.908 174.363 176.300 -0.047 0.000 1.240 1866 D CA -0.446 53.529 54.000 -0.042 0.000 0.774 1866 D CB 2.288 43.067 40.800 -0.034 0.000 1.443 1866 D HN 0.029 nan 8.370 nan 0.000 0.441 1867 V N 2.773 122.657 119.914 -0.050 0.000 2.623 1867 V HA 0.543 4.663 4.120 0.001 0.000 0.304 1867 V C -0.499 175.566 176.094 -0.047 0.000 1.054 1867 V CA -0.904 61.365 62.300 -0.052 0.000 0.882 1867 V CB 1.926 33.713 31.823 -0.061 0.000 1.002 1867 V HN 0.371 nan 8.190 nan 0.000 0.424 1868 K N 2.638 123.013 120.400 -0.042 0.000 2.203 1868 K HA 0.845 5.166 4.320 0.001 0.000 0.251 1868 K C -0.977 175.600 176.600 -0.038 0.000 0.944 1868 K CA -0.694 55.570 56.287 -0.037 0.000 0.829 1868 K CB 2.905 35.387 32.500 -0.031 0.000 1.125 1868 K HN 0.458 nan 8.250 nan 0.000 0.430 1869 V N -0.046 119.846 119.914 -0.036 0.000 3.049 1869 V HA 0.605 4.726 4.120 0.001 0.000 0.309 1869 V C -1.284 174.791 176.094 -0.031 0.000 1.148 1869 V CA -0.438 61.841 62.300 -0.035 0.000 0.990 1869 V CB 2.406 34.205 31.823 -0.039 0.000 1.039 1869 V HN 0.854 nan 8.190 nan 0.000 0.430 1870 S N 4.502 120.184 115.700 -0.030 0.000 2.549 1870 S HA 0.817 5.288 4.470 0.001 0.000 0.280 1870 S C -1.320 173.256 174.600 -0.040 0.000 1.109 1870 S CA -0.560 57.623 58.200 -0.029 0.000 0.905 1870 S CB 1.456 64.642 63.200 -0.024 0.000 1.081 1870 S HN 0.615 nan 8.310 nan 0.000 0.477 1871 I N 2.197 122.736 120.570 -0.053 0.000 2.689 1871 I HA 0.630 4.801 4.170 0.001 0.000 0.299 1871 I C -0.347 175.667 176.117 -0.172 0.000 1.059 1871 I CA -0.551 60.683 61.300 -0.110 0.000 1.055 1871 I CB 2.326 40.267 38.000 -0.099 0.000 1.243 1871 I HN 0.559 nan 8.210 nan 0.000 0.425 1872 S N 2.747 118.279 115.700 -0.281 0.000 2.541 1872 S HA 0.666 5.137 4.470 0.001 0.000 0.271 1872 S C -1.539 172.823 174.600 -0.396 0.000 1.133 1872 S CA -0.577 57.464 58.200 -0.265 0.000 0.876 1872 S CB 1.022 64.172 63.200 -0.083 0.000 1.105 1872 S HN 0.636 nan 8.310 nan 0.000 0.470 1873 H N 1.273 120.375 119.070 0.054 0.000 2.690 1873 H HA 0.697 5.254 4.556 0.001 0.000 0.368 1873 H C -0.777 174.578 175.328 0.044 0.000 1.150 1873 H CA -0.800 55.281 56.048 0.056 0.000 1.174 1873 H CB 1.351 31.149 29.762 0.061 0.000 1.684 1873 H HN 0.678 nan 8.280 nan 0.000 0.538 1874 D N -0.400 120.099 120.400 0.165 0.000 2.758 1874 D HA 0.152 4.793 4.640 0.001 0.000 0.279 1874 D C 0.217 176.572 176.300 0.092 0.000 1.111 1874 D CA -0.704 53.361 54.000 0.108 0.000 1.109 1874 D CB 0.376 41.219 40.800 0.071 0.000 1.428 1874 D HN 0.318 nan 8.370 nan 0.000 0.586 1875 D N -0.906 119.530 120.400 0.061 0.000 2.182 1875 D HA -0.057 4.583 4.640 0.001 0.000 0.201 1875 D C 1.690 178.020 176.300 0.050 0.000 0.986 1875 D CA 1.191 55.219 54.000 0.047 0.000 0.847 1875 D CB 0.055 40.874 40.800 0.032 0.000 0.942 1875 D HN 0.350 nan 8.370 nan 0.000 0.467 1876 L N -0.963 120.292 121.223 0.054 0.000 2.316 1876 L HA 0.146 4.487 4.340 0.001 0.000 0.207 1876 L C 0.972 177.880 176.870 0.063 0.000 1.070 1876 L CA 0.202 55.072 54.840 0.049 0.000 0.820 1876 L CB 0.036 42.120 42.059 0.041 0.000 0.992 1876 L HN 0.026 nan 8.230 nan 0.000 0.466 1877 Q N -0.799 119.049 119.800 0.079 0.000 2.590 1877 Q HA 0.755 5.095 4.340 0.001 0.000 0.295 1877 Q C -1.559 174.511 176.000 0.117 0.000 0.973 1877 Q CA -0.988 54.870 55.803 0.093 0.000 0.768 1877 Q CB 2.403 31.185 28.738 0.074 0.000 1.479 1877 Q HN -0.062 nan 8.270 nan 0.000 0.419 1878 A N 0.556 123.451 122.820 0.125 0.000 2.356 1878 A HA 0.860 5.181 4.320 0.001 0.000 0.323 1878 A C -1.246 176.373 177.584 0.058 0.000 1.119 1878 A CA -0.673 51.425 52.037 0.101 0.000 0.790 1878 A CB 2.195 21.303 19.000 0.180 0.000 1.273 1878 A HN 0.705 nan 8.150 nan 0.000 0.452 1879 V N 0.111 120.021 119.914 -0.007 0.000 2.971 1879 V HA 0.861 4.982 4.120 0.001 0.000 0.309 1879 V C -0.636 175.440 176.094 -0.031 0.000 1.130 1879 V CA 0.236 62.536 62.300 0.000 0.000 0.964 1879 V CB 1.892 33.716 31.823 0.001 0.000 1.029 1879 V HN 1.999 nan 8.190 nan 0.000 0.427 1880 A N 4.707 127.521 122.820 -0.011 0.000 2.475 1880 A HA 0.937 5.258 4.320 0.001 0.000 0.301 1880 A C -1.628 175.945 177.584 -0.018 0.000 1.059 1880 A CA -0.568 51.455 52.037 -0.023 0.000 0.710 1880 A CB 2.271 21.261 19.000 -0.016 0.000 1.288 1880 A HN 1.240 nan 8.150 nan 0.000 0.408 1881 V N 0.706 120.605 119.914 -0.024 0.000 2.638 1881 V HA 0.779 4.899 4.120 0.001 0.000 0.306 1881 V C 0.175 176.253 176.094 -0.028 0.000 1.052 1881 V CA -0.166 62.121 62.300 -0.022 0.000 0.885 1881 V CB 1.552 33.364 31.823 -0.019 0.000 0.999 1881 V HN 1.485 nan 8.190 nan 0.000 0.424 1882 A N 3.981 126.782 122.820 -0.031 0.000 2.374 1882 A HA 0.982 5.303 4.320 0.001 0.000 0.317 1882 A C -0.723 176.838 177.584 -0.039 0.000 1.094 1882 A CA -0.647 51.367 52.037 -0.038 0.000 0.765 1882 A CB 2.049 21.022 19.000 -0.044 0.000 1.268 1882 A HN 1.600 nan 8.150 nan 0.000 0.438 1883 V N 0.184 120.074 119.914 -0.040 0.000 2.638 1883 V HA 0.882 5.003 4.120 0.001 0.000 0.306 1883 V C -0.216 175.851 176.094 -0.045 0.000 1.052 1883 V CA -0.129 62.147 62.300 -0.041 0.000 0.885 1883 V CB 1.074 32.877 31.823 -0.033 0.000 0.999 1883 V HN 1.355 nan 8.190 nan 0.000 0.424 1884 S N 2.771 118.441 115.700 -0.051 0.000 2.578 1884 S HA 0.850 5.320 4.470 0.001 0.000 0.301 1884 S C -0.204 174.368 174.600 -0.046 0.000 1.091 1884 S CA -0.615 57.553 58.200 -0.054 0.000 1.032 1884 S CB 1.911 65.070 63.200 -0.068 0.000 1.064 1884 S HN 0.964 nan 8.310 nan 0.000 0.508 1885 T N 2.334 116.862 114.554 -0.043 0.000 2.856 1885 T HA 0.557 4.908 4.350 0.001 0.000 0.283 1885 T C -0.469 174.209 174.700 -0.037 0.000 1.008 1885 T CA -0.843 61.236 62.100 -0.036 0.000 0.997 1885 T CB 1.347 70.196 68.868 -0.032 0.000 0.992 1885 T HN 0.628 nan 8.240 nan 0.000 0.454 1886 K N 0.000 120.380 120.400 -0.033 0.000 2.780 1886 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1886 K CA 0.000 56.268 56.287 -0.032 0.000 0.838 1886 K CB 0.000 32.480 32.500 -0.033 0.000 1.064 1886 K HN 0.000 nan 8.250 nan 0.000 0.543