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 3f57_1_B DATA FIRST_RESID 1684 DATA SEQUENCE NALENMYHLF QLKRETDDLE QWISEKELVA SSPEMGQDFD HVTLLRDKFR DATA SEQUENCE DFARETGAIG QERVDNVNAF IERLIDAGHS EAATIAEWKD GLNEMWADLL DATA SEQUENCE ELIDTRMQLL AASYDLHRYF YTGAEILGLI DEKHXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXAFER DVHLLGVQVQ QFQDVATRLQ TAYAGEKAEA IQNKEQEVSA DATA SEQUENCE AWQALLDA 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 1684 N HA 0.000 nan 4.740 nan 0.000 0.220 1684 N C 0.000 175.484 175.510 -0.043 0.000 1.280 1684 N CA 0.000 53.038 53.050 -0.021 0.000 0.885 1684 N CB 0.000 38.473 38.487 -0.023 0.000 1.341 1685 A N 1.067 123.859 122.820 -0.046 0.000 1.927 1685 A HA -0.038 4.282 4.320 -0.000 0.000 0.220 1685 A C 2.270 179.833 177.584 -0.036 0.000 1.185 1685 A CA 2.153 54.161 52.037 -0.048 0.000 0.639 1685 A CB -0.939 18.040 19.000 -0.035 0.000 0.820 1685 A HN 0.403 nan 8.150 nan 0.000 0.451 1686 L N -0.960 120.244 121.223 -0.032 0.000 2.127 1686 L HA -0.081 4.259 4.340 -0.000 0.000 0.203 1686 L C 2.626 179.487 176.870 -0.015 0.000 1.080 1686 L CA 1.388 56.212 54.840 -0.027 0.000 0.768 1686 L CB -0.464 41.566 42.059 -0.048 0.000 0.924 1686 L HN 0.697 nan 8.230 nan 0.000 0.444 1687 E N -0.304 119.869 120.200 -0.045 0.000 2.208 1687 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 1687 E C 1.625 178.249 176.600 0.041 0.000 0.988 1687 E CA 0.999 57.350 56.400 -0.083 0.000 0.828 1687 E CB -0.156 29.464 29.700 -0.133 0.000 0.763 1687 E HN 0.341 nan 8.360 nan 0.000 0.478 1688 N N 0.387 119.125 118.700 0.063 0.000 2.166 1688 N HA -0.079 4.660 4.740 -0.000 0.000 0.186 1688 N C 1.646 177.302 175.510 0.244 0.000 1.019 1688 N CA 1.377 54.468 53.050 0.068 0.000 0.856 1688 N CB -0.094 38.172 38.487 -0.368 0.000 0.993 1688 N HN 0.289 nan 8.380 nan 0.000 0.426 1689 M N -0.904 118.799 119.600 0.172 0.000 2.156 1689 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 1689 M C 1.935 178.443 176.300 0.347 0.000 1.067 1689 M CA 0.882 56.342 55.300 0.268 0.000 1.131 1689 M CB -1.037 31.665 32.600 0.170 0.000 1.368 1689 M HN 0.164 nan 8.290 nan 0.000 0.416 1690 Y N 0.771 121.116 120.300 0.076 0.000 2.151 1690 Y HA -0.294 4.256 4.550 -0.000 0.000 0.284 1690 Y C 2.258 178.269 175.900 0.186 0.000 1.166 1690 Y CA 2.174 60.291 58.100 0.028 0.000 1.163 1690 Y CB -0.600 37.782 38.460 -0.130 0.000 0.974 1690 Y HN 0.346 nan 8.280 nan 0.000 0.511 1691 H N -0.670 118.636 119.070 0.393 0.000 2.357 1691 H HA -0.157 4.399 4.556 -0.000 0.000 0.301 1691 H C 2.283 177.751 175.328 0.234 0.000 1.082 1691 H CA 1.259 57.516 56.048 0.349 0.000 1.342 1691 H CB -0.140 29.859 29.762 0.395 0.000 1.389 1691 H HN 0.442 nan 8.280 nan 0.000 0.511 1692 L N 0.010 121.451 121.223 0.363 0.000 2.012 1692 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 1692 L C 1.587 178.612 176.870 0.259 0.000 1.073 1692 L CA 1.432 56.397 54.840 0.208 0.000 0.748 1692 L CB -0.276 41.905 42.059 0.203 0.000 0.891 1692 L HN 0.141 nan 8.230 nan 0.000 0.431 1693 F N -0.075 119.947 119.950 0.120 0.000 2.269 1693 F HA -0.196 4.331 4.527 0.000 0.000 0.301 1693 F C 2.732 178.555 175.800 0.040 0.000 1.082 1693 F CA 1.583 59.628 58.000 0.075 0.000 1.360 1693 F CB -0.441 38.560 39.000 0.001 0.000 1.041 1693 F HN 0.267 nan 8.300 nan 0.000 0.512 1694 Q N -0.038 119.883 119.800 0.200 0.000 2.062 1694 Q HA -0.167 4.173 4.340 -0.000 0.000 0.196 1694 Q C 2.294 178.446 176.000 0.253 0.000 0.967 1694 Q CA 1.117 57.009 55.803 0.148 0.000 0.832 1694 Q CB -0.347 28.463 28.738 0.120 0.000 0.899 1694 Q HN 0.410 nan 8.270 nan 0.000 0.442 1695 L N 1.583 123.017 121.223 0.351 0.000 2.042 1695 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 1695 L C 2.248 179.260 176.870 0.236 0.000 1.076 1695 L CA 1.943 56.970 54.840 0.311 0.000 0.749 1695 L CB -0.568 41.531 42.059 0.066 0.000 0.893 1695 L HN 0.043 nan 8.230 nan 0.000 0.432 1696 K N 0.250 120.797 120.400 0.245 0.000 2.020 1696 K HA -0.262 4.058 4.320 -0.000 0.000 0.212 1696 K C 2.434 178.959 176.600 -0.125 0.000 1.050 1696 K CA 2.214 58.458 56.287 -0.073 0.000 0.929 1696 K CB -0.497 31.948 32.500 -0.092 0.000 0.714 1696 K HN 0.378 nan 8.250 nan 0.000 0.443 1697 R N 0.297 120.786 120.500 -0.019 0.000 2.081 1697 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 1697 R C 2.157 178.441 176.300 -0.027 0.000 1.131 1697 R CA 1.765 57.850 56.100 -0.024 0.000 0.960 1697 R CB -0.139 30.171 30.300 0.016 0.000 0.856 1697 R HN 0.354 nan 8.270 nan 0.000 0.436 1698 E N -0.767 119.441 120.200 0.013 0.000 2.031 1698 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 1698 E C 1.864 178.444 176.600 -0.033 0.000 0.994 1698 E CA 1.972 58.375 56.400 0.004 0.000 0.800 1698 E CB -0.031 29.712 29.700 0.072 0.000 0.752 1698 E HN 0.380 nan 8.360 nan 0.000 0.447 1699 T N 1.292 115.821 114.554 -0.042 0.000 2.652 1699 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 1699 T C 1.330 175.954 174.700 -0.126 0.000 1.039 1699 T CA 1.594 63.638 62.100 -0.094 0.000 1.153 1699 T CB -0.468 68.306 68.868 -0.156 0.000 0.863 1699 T HN 0.113 nan 8.240 nan 0.000 0.428 1700 D N 1.203 121.499 120.400 -0.173 0.000 2.127 1700 D HA -0.131 4.509 4.640 -0.000 0.000 0.190 1700 D C 2.074 178.339 176.300 -0.058 0.000 1.000 1700 D CA 1.160 55.077 54.000 -0.139 0.000 0.839 1700 D CB -0.565 40.147 40.800 -0.147 0.000 0.955 1700 D HN 0.290 nan 8.370 nan 0.000 0.446 1701 D N -0.231 120.145 120.400 -0.040 0.000 2.116 1701 D HA -0.140 4.500 4.640 -0.000 0.000 0.193 1701 D C 2.150 178.473 176.300 0.038 0.000 0.998 1701 D CA 0.453 54.452 54.000 -0.002 0.000 0.836 1701 D CB -0.303 40.483 40.800 -0.023 0.000 0.951 1701 D HN 0.110 nan 8.370 nan 0.000 0.449 1702 L N 1.344 122.563 121.223 -0.005 0.000 2.141 1702 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 1702 L C 1.888 178.833 176.870 0.125 0.000 1.094 1702 L CA 1.647 56.495 54.840 0.014 0.000 0.763 1702 L CB -0.365 41.643 42.059 -0.084 0.000 0.908 1702 L HN -0.016 nan 8.230 nan 0.000 0.437 1703 E N -1.304 118.935 120.200 0.064 0.000 2.158 1703 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 1703 E C 1.993 178.650 176.600 0.095 0.000 0.982 1703 E CA 0.760 57.205 56.400 0.075 0.000 0.823 1703 E CB -0.059 29.642 29.700 0.003 0.000 0.766 1703 E HN 0.601 nan 8.360 nan 0.000 0.468 1704 Q N 0.072 119.923 119.800 0.086 0.000 2.084 1704 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 1704 Q C 1.824 177.905 176.000 0.135 0.000 0.978 1704 Q CA 1.359 57.213 55.803 0.085 0.000 0.844 1704 Q CB -0.139 28.638 28.738 0.065 0.000 0.898 1704 Q HN 0.364 nan 8.270 nan 0.000 0.426 1705 W N 0.943 122.243 121.300 0.001 0.000 2.358 1705 W HA -0.165 4.495 4.660 -0.000 0.000 0.303 1705 W C 1.660 178.209 176.519 0.050 0.000 1.208 1705 W CA 1.561 58.914 57.345 0.013 0.000 1.274 1705 W CB -0.190 29.261 29.460 -0.015 0.000 1.138 1705 W HN 0.132 nan 8.180 nan 0.000 0.515 1706 I N -0.121 120.601 120.570 0.252 0.000 2.226 1706 I HA -0.355 3.815 4.170 -0.000 0.000 0.245 1706 I C 2.538 178.668 176.117 0.022 0.000 1.100 1706 I CA 1.596 62.987 61.300 0.151 0.000 1.374 1706 I CB -0.879 37.307 38.000 0.310 0.000 1.057 1706 I HN -0.156 nan 8.210 nan 0.000 0.413 1707 S N 0.441 116.162 115.700 0.035 0.000 2.353 1707 S HA -0.248 4.222 4.470 -0.000 0.000 0.222 1707 S C 1.888 176.469 174.600 -0.032 0.000 1.035 1707 S CA 1.625 59.830 58.200 0.008 0.000 1.025 1707 S CB -0.351 62.858 63.200 0.016 0.000 0.902 1707 S HN 0.459 nan 8.310 nan 0.000 0.440 1708 E N 0.694 120.852 120.200 -0.070 0.000 2.058 1708 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 1708 E C 2.137 178.669 176.600 -0.114 0.000 0.997 1708 E CA 1.153 57.495 56.400 -0.096 0.000 0.801 1708 E CB -0.081 29.546 29.700 -0.123 0.000 0.746 1708 E HN 0.151 nan 8.360 nan 0.000 0.450 1709 K N 0.838 121.099 120.400 -0.231 0.000 2.147 1709 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 1709 K C 1.861 178.508 176.600 0.079 0.000 1.049 1709 K CA 1.279 57.490 56.287 -0.127 0.000 0.936 1709 K CB -0.083 32.142 32.500 -0.458 0.000 0.722 1709 K HN 0.201 nan 8.250 nan 0.000 0.446 1710 E N 0.506 120.714 120.200 0.013 0.000 2.110 1710 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 1710 E C 1.618 178.225 176.600 0.012 0.000 0.988 1710 E CA 0.983 57.403 56.400 0.034 0.000 0.804 1710 E CB -0.093 29.619 29.700 0.020 0.000 0.745 1710 E HN 0.228 nan 8.360 nan 0.000 0.458 1711 L N 0.650 121.868 121.223 -0.008 0.000 2.083 1711 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 1711 L C 2.551 179.391 176.870 -0.050 0.000 1.083 1711 L CA 0.793 55.618 54.840 -0.025 0.000 0.752 1711 L CB -0.495 41.550 42.059 -0.024 0.000 0.899 1711 L HN 0.128 nan 8.230 nan 0.000 0.433 1712 V N 0.328 120.202 119.914 -0.066 0.000 2.379 1712 V HA -0.141 3.979 4.120 -0.000 0.000 0.245 1712 V C 2.569 178.532 176.094 -0.218 0.000 1.044 1712 V CA 1.548 63.738 62.300 -0.184 0.000 1.036 1712 V CB -0.848 30.794 31.823 -0.302 0.000 0.664 1712 V HN 0.453 nan 8.190 nan 0.000 0.453 1713 A N 0.376 123.132 122.820 -0.106 0.000 2.264 1713 A HA -0.005 4.315 4.320 -0.000 0.000 0.207 1713 A C 1.935 179.511 177.584 -0.013 0.000 1.196 1713 A CA 1.356 53.435 52.037 0.070 0.000 0.778 1713 A CB -0.433 18.701 19.000 0.222 0.000 0.779 1713 A HN 0.698 nan 8.150 nan 0.000 0.483 1714 S N -0.937 114.723 115.700 -0.067 0.000 2.937 1714 S HA 0.204 4.674 4.470 -0.000 0.000 0.252 1714 S C 0.431 174.975 174.600 -0.094 0.000 1.022 1714 S CA 0.390 58.545 58.200 -0.075 0.000 1.079 1714 S CB -0.830 62.344 63.200 -0.042 0.000 1.035 1714 S HN 0.722 nan 8.310 nan 0.000 0.594 1715 S N 2.633 118.261 115.700 -0.121 0.000 2.549 1715 S HA 0.367 4.837 4.470 -0.000 0.000 0.283 1715 S C -1.592 172.933 174.600 -0.124 0.000 1.320 1715 S CA -0.609 57.525 58.200 -0.110 0.000 1.058 1715 S CB 0.502 63.633 63.200 -0.115 0.000 0.882 1715 S HN 0.326 nan 8.310 nan 0.000 0.498 1716 P HA 0.208 nan 4.420 nan 0.000 0.258 1716 P C 0.753 178.001 177.300 -0.086 0.000 1.416 1716 P CA -0.073 62.976 63.100 -0.086 0.000 0.927 1716 P CB 0.377 32.044 31.700 -0.055 0.000 1.444 1717 E N 1.034 121.173 120.200 -0.102 0.000 2.013 1717 E HA -0.224 4.126 4.350 -0.000 0.000 0.202 1717 E C 1.352 177.885 176.600 -0.113 0.000 1.018 1717 E CA 1.711 58.055 56.400 -0.093 0.000 0.834 1717 E CB -0.424 29.210 29.700 -0.110 0.000 0.770 1717 E HN -0.075 nan 8.360 nan 0.000 0.459 1718 M N -3.440 116.056 119.600 -0.173 0.000 2.900 1718 M HA -0.211 4.269 4.480 -0.000 0.000 0.179 1718 M C 0.432 176.587 176.300 -0.241 0.000 0.648 1718 M CA 1.902 57.103 55.300 -0.166 0.000 0.684 1718 M CB -1.538 31.017 32.600 -0.075 0.000 2.470 1718 M HN 0.664 nan 8.290 nan 0.000 0.275 1719 G N -0.467 108.174 108.800 -0.265 0.000 2.784 1719 G HA2 0.060 4.020 3.960 -0.000 0.000 0.686 1719 G HA3 0.060 4.020 3.960 -0.000 0.000 0.686 1719 G C -0.307 174.620 174.900 0.045 0.000 1.156 1719 G CA -0.145 44.741 45.100 -0.357 0.000 0.757 1719 G HN 0.330 nan 8.290 nan 0.000 0.642 1720 Q N 0.257 120.258 119.800 0.334 0.000 2.297 1720 Q HA 0.151 4.491 4.340 -0.000 0.000 0.203 1720 Q C 0.900 177.116 176.000 0.360 0.000 0.931 1720 Q CA 1.951 57.949 55.803 0.323 0.000 0.885 1720 Q CB 0.613 29.498 28.738 0.245 0.000 0.991 1720 Q HN 0.961 nan 8.270 nan 0.000 0.498 1721 D N -2.326 118.313 120.400 0.398 0.000 2.615 1721 D HA 0.014 4.654 4.640 -0.000 0.000 0.267 1721 D C 0.181 176.759 176.300 0.462 0.000 1.236 1721 D CA -0.756 53.486 54.000 0.403 0.000 0.839 1721 D CB 0.270 41.200 40.800 0.217 0.000 1.380 1721 D HN -0.175 nan 8.370 nan 0.000 0.433 1722 F N 1.250 121.357 119.950 0.263 0.000 2.192 1722 F HA -0.187 4.339 4.527 -0.000 0.000 0.301 1722 F C 1.420 177.191 175.800 -0.049 0.000 1.079 1722 F CA 1.757 59.791 58.000 0.058 0.000 1.303 1722 F CB -0.180 38.736 39.000 -0.141 0.000 1.024 1722 F HN 0.251 nan 8.300 nan 0.000 0.494 1723 D N -1.180 119.160 120.400 -0.101 0.000 2.077 1723 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 1723 D C 2.221 178.487 176.300 -0.056 0.000 0.986 1723 D CA 1.667 55.568 54.000 -0.165 0.000 0.829 1723 D CB -0.876 39.890 40.800 -0.056 0.000 0.983 1723 D HN 0.300 nan 8.370 nan 0.000 0.453 1724 H N 1.212 120.237 119.070 -0.076 0.000 2.289 1724 H HA -0.128 4.428 4.556 -0.000 0.000 0.294 1724 H C 2.107 177.376 175.328 -0.097 0.000 1.095 1724 H CA 1.439 57.449 56.048 -0.064 0.000 1.256 1724 H CB -0.568 29.179 29.762 -0.026 0.000 1.359 1724 H HN -0.075 nan 8.280 nan 0.000 0.487 1725 V N -0.202 119.618 119.914 -0.156 0.000 2.332 1725 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 1725 V C 2.586 178.625 176.094 -0.092 0.000 1.055 1725 V CA 2.321 64.486 62.300 -0.226 0.000 1.038 1725 V CB -0.963 30.690 31.823 -0.282 0.000 0.651 1725 V HN 0.519 nan 8.190 nan 0.000 0.450 1726 T N 0.167 114.641 114.554 -0.133 0.000 2.746 1726 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 1726 T C 1.848 176.517 174.700 -0.052 0.000 1.039 1726 T CA 1.671 63.724 62.100 -0.078 0.000 1.142 1726 T CB -0.296 68.413 68.868 -0.266 0.000 0.866 1726 T HN 0.241 nan 8.240 nan 0.000 0.444 1727 L N 0.313 121.507 121.223 -0.049 0.000 1.943 1727 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 1727 L C 2.437 179.301 176.870 -0.011 0.000 1.074 1727 L CA 1.404 56.238 54.840 -0.010 0.000 0.759 1727 L CB -0.691 41.389 42.059 0.036 0.000 0.888 1727 L HN 0.202 nan 8.230 nan 0.000 0.433 1728 L N -0.608 120.586 121.223 -0.048 0.000 2.030 1728 L HA -0.350 3.990 4.340 -0.000 0.000 0.222 1728 L C 2.793 179.656 176.870 -0.011 0.000 1.082 1728 L CA 2.082 56.879 54.840 -0.072 0.000 0.785 1728 L CB -0.583 41.349 42.059 -0.212 0.000 0.895 1728 L HN 0.295 nan 8.230 nan 0.000 0.439 1729 R N -0.456 120.027 120.500 -0.028 0.000 2.115 1729 R HA -0.186 4.154 4.340 -0.000 0.000 0.230 1729 R C 1.936 178.255 176.300 0.031 0.000 1.111 1729 R CA 1.775 57.877 56.100 0.003 0.000 0.976 1729 R CB -0.206 30.060 30.300 -0.056 0.000 0.870 1729 R HN 0.320 nan 8.270 nan 0.000 0.445 1730 D N 0.439 120.841 120.400 0.003 0.000 2.103 1730 D HA -0.106 4.534 4.640 -0.000 0.000 0.199 1730 D C 1.545 177.870 176.300 0.041 0.000 0.978 1730 D CA 1.312 55.316 54.000 0.006 0.000 0.829 1730 D CB 0.117 40.911 40.800 -0.010 0.000 0.981 1730 D HN 0.135 nan 8.370 nan 0.000 0.464 1731 K N -0.813 119.619 120.400 0.053 0.000 2.059 1731 K HA -0.200 4.119 4.320 -0.000 0.000 0.212 1731 K C 2.127 178.796 176.600 0.114 0.000 1.050 1731 K CA 1.314 57.645 56.287 0.074 0.000 0.927 1731 K CB -0.389 32.152 32.500 0.068 0.000 0.714 1731 K HN 0.170 nan 8.250 nan 0.000 0.447 1732 F N 1.396 121.340 119.950 -0.010 0.000 2.259 1732 F HA -0.089 4.438 4.527 0.000 0.000 0.298 1732 F C 2.470 178.316 175.800 0.076 0.000 1.088 1732 F CA 1.129 59.136 58.000 0.011 0.000 1.358 1732 F CB -0.042 38.920 39.000 -0.064 0.000 1.040 1732 F HN -0.087 nan 8.300 nan 0.000 0.505 1733 R N 0.465 121.026 120.500 0.102 0.000 2.096 1733 R HA -0.210 4.130 4.340 -0.000 0.000 0.240 1733 R C 1.858 178.135 176.300 -0.039 0.000 1.139 1733 R CA 2.412 58.525 56.100 0.021 0.000 0.952 1733 R CB -0.562 29.750 30.300 0.020 0.000 0.854 1733 R HN 0.202 nan 8.270 nan 0.000 0.436 1734 D N -0.232 120.161 120.400 -0.012 0.000 2.084 1734 D HA -0.187 4.453 4.640 -0.000 0.000 0.194 1734 D C 1.598 177.876 176.300 -0.037 0.000 0.990 1734 D CA 1.313 55.305 54.000 -0.013 0.000 0.826 1734 D CB -0.499 40.311 40.800 0.016 0.000 0.971 1734 D HN 0.235 nan 8.370 nan 0.000 0.453 1735 F N 1.825 121.648 119.950 -0.212 0.000 2.065 1735 F HA -0.290 4.237 4.527 -0.000 0.000 0.298 1735 F C 2.239 177.839 175.800 -0.332 0.000 1.112 1735 F CA 2.188 60.022 58.000 -0.275 0.000 1.212 1735 F CB -0.285 38.489 39.000 -0.376 0.000 0.975 1735 F HN -0.038 nan 8.300 nan 0.000 0.476 1736 A N 0.416 123.071 122.820 -0.275 0.000 1.917 1736 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 1736 A C 2.333 179.806 177.584 -0.185 0.000 1.182 1736 A CA 2.043 53.913 52.037 -0.278 0.000 0.633 1736 A CB -0.981 17.868 19.000 -0.252 0.000 0.819 1736 A HN 0.552 nan 8.150 nan 0.000 0.448 1737 R N -0.432 119.987 120.500 -0.134 0.000 2.066 1737 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 1737 R C 2.092 178.350 176.300 -0.071 0.000 1.131 1737 R CA 1.815 57.871 56.100 -0.074 0.000 0.955 1737 R CB -0.220 30.051 30.300 -0.049 0.000 0.851 1737 R HN 0.695 nan 8.270 nan 0.000 0.432 1738 E N -1.042 119.088 120.200 -0.116 0.000 2.076 1738 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 1738 E C 1.911 178.474 176.600 -0.061 0.000 0.979 1738 E CA 1.544 57.895 56.400 -0.083 0.000 0.807 1738 E CB 0.078 29.726 29.700 -0.087 0.000 0.761 1738 E HN 0.328 nan 8.360 nan 0.000 0.454 1739 T N 0.484 114.905 114.554 -0.221 0.000 2.635 1739 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 1739 T C 1.951 176.767 174.700 0.194 0.000 1.040 1739 T CA 1.420 63.463 62.100 -0.095 0.000 1.156 1739 T CB -0.780 67.754 68.868 -0.556 0.000 0.863 1739 T HN 0.378 nan 8.240 nan 0.000 0.430 1740 G N 1.051 109.904 108.800 0.089 0.000 2.440 1740 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.218 1740 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.218 1740 G C 1.801 176.851 174.900 0.249 0.000 1.154 1740 G CA 1.081 46.305 45.100 0.207 0.000 0.767 1740 G HN 0.612 nan 8.290 nan 0.000 0.552 1741 A N 0.668 123.559 122.820 0.117 0.000 1.841 1741 A HA 0.119 4.439 4.320 -0.000 0.000 0.214 1741 A C 2.416 180.020 177.584 0.032 0.000 1.195 1741 A CA 1.319 53.397 52.037 0.069 0.000 0.611 1741 A CB -0.425 18.589 19.000 0.024 0.000 0.835 1741 A HN 0.327 nan 8.150 nan 0.000 0.443 1742 I N -0.008 120.575 120.570 0.022 0.000 2.127 1742 I HA -0.234 3.936 4.170 -0.000 0.000 0.241 1742 I C 2.755 178.743 176.117 -0.214 0.000 1.075 1742 I CA 1.424 62.674 61.300 -0.083 0.000 1.334 1742 I CB -0.696 37.274 38.000 -0.050 0.000 1.040 1742 I HN 0.394 nan 8.210 nan 0.000 0.405 1743 G N -0.336 108.413 108.800 -0.084 0.000 2.469 1743 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.219 1743 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.219 1743 G C 1.568 176.097 174.900 -0.618 0.000 1.150 1743 G CA 1.056 45.978 45.100 -0.296 0.000 0.763 1743 G HN 0.311 nan 8.290 nan 0.000 0.561 1744 Q N 0.435 120.058 119.800 -0.294 0.000 2.084 1744 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 1744 Q C 2.313 178.151 176.000 -0.270 0.000 0.978 1744 Q CA 2.021 57.641 55.803 -0.305 0.000 0.844 1744 Q CB -0.396 28.437 28.738 0.158 0.000 0.898 1744 Q HN 0.598 nan 8.270 nan 0.000 0.426 1745 E N 0.057 120.136 120.200 -0.202 0.000 2.021 1745 E HA -0.236 4.113 4.350 -0.000 0.000 0.200 1745 E C 1.921 178.373 176.600 -0.248 0.000 1.015 1745 E CA 1.922 58.211 56.400 -0.185 0.000 0.824 1745 E CB -0.150 29.451 29.700 -0.165 0.000 0.762 1745 E HN 0.360 nan 8.360 nan 0.000 0.454 1746 R N -0.251 120.043 120.500 -0.342 0.000 2.117 1746 R HA -0.143 4.197 4.340 -0.000 0.000 0.243 1746 R C 2.496 178.596 176.300 -0.334 0.000 1.143 1746 R CA 1.481 57.365 56.100 -0.359 0.000 0.968 1746 R CB -0.580 29.424 30.300 -0.494 0.000 0.863 1746 R HN 0.159 nan 8.270 nan 0.000 0.444 1747 V N 1.550 121.190 119.914 -0.456 0.000 2.307 1747 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 1747 V C 1.675 177.651 176.094 -0.197 0.000 1.045 1747 V CA 1.932 64.001 62.300 -0.384 0.000 1.024 1747 V CB -0.438 31.015 31.823 -0.616 0.000 0.651 1747 V HN 0.256 nan 8.190 nan 0.000 0.449 1748 D N 0.250 120.545 120.400 -0.175 0.000 2.133 1748 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 1748 D C 2.041 178.304 176.300 -0.061 0.000 0.997 1748 D CA 1.351 55.299 54.000 -0.086 0.000 0.840 1748 D CB -0.416 40.341 40.800 -0.072 0.000 0.947 1748 D HN 0.398 nan 8.370 nan 0.000 0.452 1749 N N 0.374 119.022 118.700 -0.087 0.000 2.013 1749 N HA -0.122 4.618 4.740 -0.000 0.000 0.195 1749 N C 2.162 177.680 175.510 0.015 0.000 1.051 1749 N CA 0.767 53.784 53.050 -0.056 0.000 0.851 1749 N CB -0.762 37.666 38.487 -0.098 0.000 1.044 1749 N HN 0.081 nan 8.380 nan 0.000 0.422 1750 V N 1.748 121.664 119.914 0.004 0.000 2.332 1750 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 1750 V C 1.841 177.984 176.094 0.082 0.000 1.055 1750 V CA 1.608 63.960 62.300 0.086 0.000 1.038 1750 V CB -0.856 30.982 31.823 0.026 0.000 0.651 1750 V HN 0.305 nan 8.190 nan 0.000 0.450 1751 N N 0.473 119.188 118.700 0.024 0.000 2.025 1751 N HA -0.178 4.562 4.740 -0.000 0.000 0.194 1751 N C 1.919 177.451 175.510 0.037 0.000 1.044 1751 N CA 1.774 54.836 53.050 0.020 0.000 0.851 1751 N CB -0.512 37.979 38.487 0.006 0.000 1.036 1751 N HN 0.460 nan 8.380 nan 0.000 0.422 1752 A N 0.037 122.885 122.820 0.046 0.000 1.978 1752 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 1752 A C 1.991 179.648 177.584 0.123 0.000 1.170 1752 A CA 1.120 53.191 52.037 0.057 0.000 0.636 1752 A CB -0.863 18.159 19.000 0.035 0.000 0.810 1752 A HN 0.399 nan 8.150 nan 0.000 0.448 1753 F N 0.687 120.608 119.950 -0.049 0.000 2.113 1753 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 1753 F C 1.975 177.739 175.800 -0.061 0.000 1.103 1753 F CA 1.038 59.004 58.000 -0.057 0.000 1.248 1753 F CB -0.677 38.294 39.000 -0.050 0.000 0.999 1753 F HN 0.189 nan 8.300 nan 0.000 0.475 1754 I N 0.296 120.780 120.570 -0.144 0.000 2.208 1754 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 1754 I C 2.218 178.238 176.117 -0.162 0.000 1.097 1754 I CA 1.817 62.967 61.300 -0.250 0.000 1.363 1754 I CB -0.594 37.322 38.000 -0.140 0.000 1.051 1754 I HN 0.160 nan 8.210 nan 0.000 0.413 1755 E N 0.107 120.268 120.200 -0.066 0.000 2.265 1755 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 1755 E C 2.223 178.804 176.600 -0.032 0.000 0.996 1755 E CA 0.655 57.031 56.400 -0.040 0.000 0.832 1755 E CB -0.022 29.672 29.700 -0.009 0.000 0.756 1755 E HN 0.341 nan 8.360 nan 0.000 0.491 1756 R N 0.501 120.990 120.500 -0.017 0.000 2.062 1756 R HA -0.050 4.290 4.340 -0.000 0.000 0.226 1756 R C 2.162 178.447 176.300 -0.025 0.000 1.125 1756 R CA 0.751 56.858 56.100 0.012 0.000 0.966 1756 R CB -0.079 30.279 30.300 0.096 0.000 0.861 1756 R HN 0.130 nan 8.270 nan 0.000 0.433 1757 L N 0.478 121.633 121.223 -0.113 0.000 2.046 1757 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 1757 L C 2.455 179.291 176.870 -0.057 0.000 1.077 1757 L CA 1.213 55.986 54.840 -0.110 0.000 0.747 1757 L CB -0.384 41.482 42.059 -0.321 0.000 0.896 1757 L HN 0.250 nan 8.230 nan 0.000 0.432 1758 I N 0.054 120.561 120.570 -0.105 0.000 2.163 1758 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 1758 I C 1.980 178.084 176.117 -0.021 0.000 1.081 1758 I CA 1.580 62.841 61.300 -0.065 0.000 1.353 1758 I CB -0.281 37.666 38.000 -0.089 0.000 1.054 1758 I HN 0.195 nan 8.210 nan 0.000 0.407 1759 D N 0.792 121.180 120.400 -0.020 0.000 2.182 1759 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 1759 D C 0.720 177.023 176.300 0.006 0.000 0.986 1759 D CA 1.037 55.033 54.000 -0.005 0.000 0.847 1759 D CB 0.011 40.810 40.800 -0.003 0.000 0.942 1759 D HN 0.319 nan 8.370 nan 0.000 0.467 1760 A N 0.326 123.155 122.820 0.015 0.000 2.341 1760 A HA 0.565 4.884 4.320 -0.000 0.000 0.326 1760 A C 0.690 178.298 177.584 0.041 0.000 1.402 1760 A CA -0.300 51.753 52.037 0.027 0.000 0.957 1760 A CB 0.288 19.310 19.000 0.037 0.000 1.151 1760 A HN 0.138 nan 8.150 nan 0.000 0.533 1761 G N 2.054 110.871 108.800 0.028 0.000 2.653 1761 G HA2 0.037 3.997 3.960 -0.000 0.000 0.282 1761 G HA3 0.037 3.997 3.960 -0.000 0.000 0.282 1761 G C -0.026 174.909 174.900 0.058 0.000 0.504 1761 G CA 0.893 46.011 45.100 0.031 0.000 1.116 1761 G HN 1.046 nan 8.290 nan 0.000 0.237 1762 H N 1.049 120.098 119.070 -0.034 0.000 2.569 1762 H HA 0.451 5.007 4.556 -0.000 0.000 0.357 1762 H C 1.410 176.709 175.328 -0.049 0.000 1.153 1762 H CA -0.517 55.509 56.048 -0.037 0.000 1.193 1762 H CB 1.720 31.445 29.762 -0.061 0.000 1.602 1762 H HN 0.277 nan 8.280 nan 0.000 0.523 1763 S N 1.825 117.498 115.700 -0.044 0.000 2.447 1763 S HA -0.086 4.384 4.470 -0.000 0.000 0.233 1763 S C 0.156 174.837 174.600 0.135 0.000 1.006 1763 S CA 0.938 59.155 58.200 0.028 0.000 0.957 1763 S CB 0.033 63.185 63.200 -0.081 0.000 0.773 1763 S HN 0.632 nan 8.310 nan 0.000 0.507 1764 E N 0.526 120.927 120.200 0.335 0.000 3.582 1764 E HA 0.456 4.806 4.350 -0.000 0.000 0.217 1764 E C 0.742 177.237 176.600 -0.174 0.000 1.092 1764 E CA -0.097 56.298 56.400 -0.008 0.000 1.365 1764 E CB 0.271 29.899 29.700 -0.121 0.000 1.278 1764 E HN 0.290 nan 8.360 nan 0.000 0.439 1765 A N 1.361 124.127 122.820 -0.090 0.000 1.883 1765 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 1765 A C 2.315 179.801 177.584 -0.164 0.000 1.186 1765 A CA 1.953 53.908 52.037 -0.136 0.000 0.624 1765 A CB -0.327 18.634 19.000 -0.065 0.000 0.822 1765 A HN 0.397 nan 8.150 nan 0.000 0.444 1766 A N -1.023 121.722 122.820 -0.125 0.000 1.908 1766 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 1766 A C 2.319 179.802 177.584 -0.168 0.000 1.181 1766 A CA 2.447 54.417 52.037 -0.113 0.000 0.627 1766 A CB -1.264 17.692 19.000 -0.074 0.000 0.818 1766 A HN 0.457 nan 8.150 nan 0.000 0.445 1767 T N 0.609 115.007 114.554 -0.260 0.000 2.812 1767 T HA -0.049 4.301 4.350 -0.000 0.000 0.264 1767 T C 1.806 176.068 174.700 -0.730 0.000 1.042 1767 T CA 1.418 63.271 62.100 -0.412 0.000 1.140 1767 T CB -0.463 68.128 68.868 -0.462 0.000 0.870 1767 T HN 0.706 nan 8.240 nan 0.000 0.445 1768 I N -0.296 119.839 120.570 -0.725 0.000 3.059 1768 I HA 0.277 4.447 4.170 -0.000 0.000 0.270 1768 I C 2.477 178.421 176.117 -0.288 0.000 1.238 1768 I CA 0.537 61.416 61.300 -0.701 0.000 1.478 1768 I CB -0.501 37.089 38.000 -0.684 0.000 1.097 1768 I HN 0.082 nan 8.210 nan 0.000 0.455 1769 A N 1.650 124.341 122.820 -0.214 0.000 1.968 1769 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 1769 A C 2.220 179.790 177.584 -0.023 0.000 1.169 1769 A CA 1.402 53.382 52.037 -0.095 0.000 0.638 1769 A CB -0.463 18.489 19.000 -0.081 0.000 0.812 1769 A HN 0.551 nan 8.150 nan 0.000 0.446 1770 E N -1.153 119.035 120.200 -0.019 0.000 2.046 1770 E HA -0.193 4.157 4.350 -0.000 0.000 0.190 1770 E C 1.753 178.480 176.600 0.211 0.000 0.982 1770 E CA 1.050 57.499 56.400 0.082 0.000 0.800 1770 E CB -0.223 29.532 29.700 0.093 0.000 0.756 1770 E HN 0.795 nan 8.360 nan 0.000 0.449 1771 W N 1.790 123.061 121.300 -0.048 0.000 2.305 1771 W HA -0.218 4.442 4.660 -0.000 0.000 0.308 1771 W C 2.306 178.803 176.519 -0.037 0.000 1.226 1771 W CA 1.058 58.374 57.345 -0.049 0.000 1.253 1771 W CB -0.885 28.528 29.460 -0.078 0.000 1.146 1771 W HN 0.070 nan 8.180 nan 0.000 0.507 1772 K N 0.224 120.741 120.400 0.194 0.000 1.985 1772 K HA -0.190 4.129 4.320 -0.000 0.000 0.210 1772 K C 1.695 178.346 176.600 0.087 0.000 1.047 1772 K CA 2.117 58.465 56.287 0.101 0.000 0.932 1772 K CB -0.458 32.070 32.500 0.046 0.000 0.716 1772 K HN -0.153 nan 8.250 nan 0.000 0.439 1773 D N -0.127 120.320 120.400 0.077 0.000 2.133 1773 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 1773 D C 1.817 178.163 176.300 0.077 0.000 0.997 1773 D CA 1.567 55.608 54.000 0.068 0.000 0.840 1773 D CB -0.676 40.157 40.800 0.054 0.000 0.947 1773 D HN 0.525 nan 8.370 nan 0.000 0.452 1774 G N 0.565 109.416 108.800 0.084 0.000 2.418 1774 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 1774 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 1774 G C 1.572 176.519 174.900 0.077 0.000 1.158 1774 G CA 0.838 45.982 45.100 0.073 0.000 0.771 1774 G HN 0.269 nan 8.290 nan 0.000 0.545 1775 L N 1.376 122.646 121.223 0.079 0.000 1.994 1775 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 1775 L C 2.352 179.306 176.870 0.140 0.000 1.071 1775 L CA 2.117 57.008 54.840 0.085 0.000 0.745 1775 L CB -0.817 41.274 42.059 0.053 0.000 0.892 1775 L HN 0.107 nan 8.230 nan 0.000 0.431 1776 N N 0.053 118.831 118.700 0.131 0.000 2.094 1776 N HA -0.234 4.506 4.740 -0.000 0.000 0.191 1776 N C 1.766 177.381 175.510 0.175 0.000 1.023 1776 N CA 1.840 54.993 53.050 0.173 0.000 0.857 1776 N CB -0.262 38.300 38.487 0.124 0.000 1.013 1776 N HN 0.565 nan 8.380 nan 0.000 0.426 1777 E N 0.745 121.018 120.200 0.121 0.000 2.038 1777 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 1777 E C 2.017 178.683 176.600 0.110 0.000 1.000 1777 E CA 1.036 57.492 56.400 0.093 0.000 0.803 1777 E CB -0.144 29.596 29.700 0.068 0.000 0.750 1777 E HN 0.250 nan 8.360 nan 0.000 0.448 1778 M N -0.582 119.097 119.600 0.132 0.000 2.144 1778 M HA -0.215 4.265 4.480 -0.000 0.000 0.260 1778 M C 1.818 178.249 176.300 0.218 0.000 1.067 1778 M CA 1.617 57.005 55.300 0.147 0.000 1.095 1778 M CB -0.071 32.617 32.600 0.147 0.000 1.365 1778 M HN 0.225 nan 8.290 nan 0.000 0.406 1779 W N 0.052 121.382 121.300 0.050 0.000 2.481 1779 W HA 0.127 4.787 4.660 0.000 0.000 0.293 1779 W C 2.367 178.917 176.519 0.051 0.000 1.201 1779 W CA 1.496 58.878 57.345 0.062 0.000 1.328 1779 W CB -0.656 28.847 29.460 0.071 0.000 1.112 1779 W HN 0.282 nan 8.180 nan 0.000 0.546 1780 A N 0.244 123.067 122.820 0.004 0.000 1.917 1780 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 1780 A C 1.730 179.234 177.584 -0.134 0.000 1.182 1780 A CA 2.306 54.274 52.037 -0.116 0.000 0.633 1780 A CB -0.986 18.004 19.000 -0.015 0.000 0.819 1780 A HN 0.251 nan 8.150 nan 0.000 0.448 1781 D N -0.603 119.762 120.400 -0.057 0.000 2.123 1781 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 1781 D C 1.790 178.045 176.300 -0.074 0.000 0.992 1781 D CA 1.394 55.368 54.000 -0.043 0.000 0.833 1781 D CB -0.366 40.437 40.800 0.004 0.000 0.954 1781 D HN 0.393 nan 8.370 nan 0.000 0.455 1782 L N 0.330 121.481 121.223 -0.120 0.000 2.072 1782 L HA -0.019 4.321 4.340 -0.000 0.000 0.205 1782 L C 2.184 178.926 176.870 -0.214 0.000 1.079 1782 L CA 1.074 55.838 54.840 -0.126 0.000 0.752 1782 L CB -0.341 41.669 42.059 -0.081 0.000 0.906 1782 L HN 0.002 nan 8.230 nan 0.000 0.436 1783 L N -0.150 120.816 121.223 -0.429 0.000 2.012 1783 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 1783 L C 2.616 179.380 176.870 -0.176 0.000 1.073 1783 L CA 2.112 56.721 54.840 -0.385 0.000 0.748 1783 L CB -0.830 40.895 42.059 -0.557 0.000 0.891 1783 L HN 0.519 nan 8.230 nan 0.000 0.431 1784 E N 0.284 120.402 120.200 -0.136 0.000 2.152 1784 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 1784 E C 2.241 178.822 176.600 -0.032 0.000 0.983 1784 E CA 0.842 57.201 56.400 -0.069 0.000 0.818 1784 E CB -0.351 29.314 29.700 -0.057 0.000 0.758 1784 E HN 0.335 nan 8.360 nan 0.000 0.467 1785 L N 1.142 122.349 121.223 -0.027 0.000 2.056 1785 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 1785 L C 2.255 179.165 176.870 0.065 0.000 1.078 1785 L CA 1.437 56.282 54.840 0.008 0.000 0.749 1785 L CB -0.215 41.851 42.059 0.011 0.000 0.901 1785 L HN 0.212 nan 8.230 nan 0.000 0.433 1786 I N -0.381 120.250 120.570 0.102 0.000 2.163 1786 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 1786 I C 2.285 178.559 176.117 0.261 0.000 1.085 1786 I CA 1.713 63.166 61.300 0.256 0.000 1.347 1786 I CB -0.450 37.636 38.000 0.143 0.000 1.044 1786 I HN 0.410 nan 8.210 nan 0.000 0.408 1787 D N 0.393 120.859 120.400 0.109 0.000 2.097 1787 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 1787 D C 2.065 178.392 176.300 0.046 0.000 0.989 1787 D CA 1.726 55.771 54.000 0.075 0.000 0.827 1787 D CB 0.020 40.829 40.800 0.015 0.000 0.966 1787 D HN 0.211 nan 8.370 nan 0.000 0.456 1788 T N 0.271 114.834 114.554 0.014 0.000 2.720 1788 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 1788 T C 2.022 176.685 174.700 -0.061 0.000 1.037 1788 T CA 1.540 63.626 62.100 -0.023 0.000 1.144 1788 T CB -0.163 68.687 68.868 -0.030 0.000 0.864 1788 T HN 0.184 nan 8.240 nan 0.000 0.444 1789 R N 0.369 120.815 120.500 -0.090 0.000 2.092 1789 R HA 0.098 4.438 4.340 -0.000 0.000 0.231 1789 R C 2.474 178.574 176.300 -0.333 0.000 1.119 1789 R CA 1.179 57.097 56.100 -0.303 0.000 0.970 1789 R CB -0.315 29.634 30.300 -0.584 0.000 0.864 1789 R HN 0.353 nan 8.270 nan 0.000 0.440 1790 M N 0.266 119.823 119.600 -0.070 0.000 2.159 1790 M HA -0.215 4.265 4.480 -0.000 0.000 0.263 1790 M C 1.908 178.201 176.300 -0.011 0.000 1.063 1790 M CA 1.793 57.123 55.300 0.050 0.000 1.110 1790 M CB 0.106 32.832 32.600 0.209 0.000 1.374 1790 M HN 0.284 nan 8.290 nan 0.000 0.411 1791 Q N -0.314 119.476 119.800 -0.017 0.000 2.123 1791 Q HA -0.142 4.198 4.340 -0.000 0.000 0.199 1791 Q C 1.953 177.936 176.000 -0.028 0.000 0.966 1791 Q CA 1.036 56.831 55.803 -0.014 0.000 0.845 1791 Q CB -0.101 28.629 28.738 -0.013 0.000 0.907 1791 Q HN 0.384 nan 8.270 nan 0.000 0.439 1792 L N 0.451 121.634 121.223 -0.067 0.000 2.042 1792 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 1792 L C 2.074 178.908 176.870 -0.060 0.000 1.076 1792 L CA 1.593 56.390 54.840 -0.070 0.000 0.749 1792 L CB -0.365 41.625 42.059 -0.115 0.000 0.893 1792 L HN 0.213 nan 8.230 nan 0.000 0.432 1793 L N -1.850 119.310 121.223 -0.104 0.000 2.095 1793 L HA -0.105 4.235 4.340 -0.000 0.000 0.204 1793 L C 2.653 179.541 176.870 0.030 0.000 1.080 1793 L CA 0.893 55.688 54.840 -0.076 0.000 0.759 1793 L CB -0.772 41.198 42.059 -0.148 0.000 0.914 1793 L HN 0.241 nan 8.230 nan 0.000 0.439 1794 A N 0.380 123.214 122.820 0.024 0.000 1.908 1794 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 1794 A C 2.533 180.211 177.584 0.157 0.000 1.181 1794 A CA 1.934 54.015 52.037 0.073 0.000 0.627 1794 A CB -0.698 18.323 19.000 0.035 0.000 0.818 1794 A HN 0.405 nan 8.150 nan 0.000 0.445 1795 A N -0.859 122.031 122.820 0.116 0.000 1.845 1795 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 1795 A C 2.517 180.234 177.584 0.223 0.000 1.195 1795 A CA 2.296 54.429 52.037 0.159 0.000 0.616 1795 A CB -1.195 17.870 19.000 0.108 0.000 0.832 1795 A HN 0.621 nan 8.150 nan 0.000 0.443 1796 S N -2.013 113.791 115.700 0.173 0.000 2.383 1796 S HA -0.233 4.237 4.470 -0.000 0.000 0.229 1796 S C 1.863 176.593 174.600 0.216 0.000 1.030 1796 S CA 1.816 60.118 58.200 0.170 0.000 1.002 1796 S CB -0.595 62.619 63.200 0.022 0.000 0.829 1796 S HN 0.615 nan 8.310 nan 0.000 0.467 1797 Y N 2.068 122.423 120.300 0.092 0.000 2.097 1797 Y HA -0.194 4.355 4.550 -0.000 0.000 0.282 1797 Y C 1.933 177.996 175.900 0.271 0.000 1.152 1797 Y CA 2.414 60.620 58.100 0.177 0.000 1.136 1797 Y CB -0.816 37.721 38.460 0.127 0.000 0.975 1797 Y HN 0.318 nan 8.280 nan 0.000 0.498 1798 D N 0.017 120.604 120.400 0.310 0.000 2.104 1798 D HA -0.231 4.408 4.640 -0.000 0.000 0.194 1798 D C 2.144 178.535 176.300 0.151 0.000 0.994 1798 D CA 1.646 55.762 54.000 0.193 0.000 0.830 1798 D CB -0.569 40.348 40.800 0.196 0.000 0.959 1798 D HN 0.395 nan 8.370 nan 0.000 0.452 1799 L N 0.078 121.426 121.223 0.209 0.000 1.989 1799 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 1799 L C 2.207 179.295 176.870 0.363 0.000 1.071 1799 L CA 1.786 56.761 54.840 0.225 0.000 0.749 1799 L CB -0.308 41.864 42.059 0.189 0.000 0.890 1799 L HN 0.251 nan 8.230 nan 0.000 0.431 1800 H N -1.173 117.995 119.070 0.165 0.000 2.387 1800 H HA -0.175 4.381 4.556 -0.000 0.000 0.299 1800 H C 2.355 177.599 175.328 -0.141 0.000 1.090 1800 H CA 1.505 57.640 56.048 0.145 0.000 1.332 1800 H CB 0.137 30.037 29.762 0.230 0.000 1.386 1800 H HN 0.332 nan 8.280 nan 0.000 0.516 1801 R N 0.462 120.785 120.500 -0.294 0.000 2.080 1801 R HA -0.212 4.127 4.340 -0.000 0.000 0.236 1801 R C 2.329 178.467 176.300 -0.270 0.000 1.137 1801 R CA 1.705 57.316 56.100 -0.816 0.000 0.943 1801 R CB -0.579 29.413 30.300 -0.513 0.000 0.846 1801 R HN 0.271 nan 8.270 nan 0.000 0.431 1802 Y N 0.441 120.651 120.300 -0.150 0.000 2.040 1802 Y HA -0.306 4.244 4.550 0.000 0.000 0.275 1802 Y C 1.743 177.632 175.900 -0.019 0.000 1.171 1802 Y CA 2.239 60.275 58.100 -0.107 0.000 1.123 1802 Y CB -0.737 37.577 38.460 -0.244 0.000 0.963 1802 Y HN 0.078 nan 8.280 nan 0.000 0.493 1803 F N -1.325 118.571 119.950 -0.090 0.000 2.202 1803 F HA -0.223 4.303 4.527 -0.000 0.000 0.301 1803 F C 2.327 178.035 175.800 -0.153 0.000 1.082 1803 F CA 1.878 59.779 58.000 -0.166 0.000 1.313 1803 F CB -1.002 37.958 39.000 -0.066 0.000 1.024 1803 F HN 0.211 nan 8.300 nan 0.000 0.495 1804 Y N 0.758 120.995 120.300 -0.104 0.000 2.200 1804 Y HA -0.219 4.330 4.550 -0.000 0.000 0.290 1804 Y C 2.517 178.299 175.900 -0.195 0.000 1.137 1804 Y CA 2.046 60.046 58.100 -0.168 0.000 1.163 1804 Y CB -0.854 37.396 38.460 -0.349 0.000 0.988 1804 Y HN -0.071 nan 8.280 nan 0.000 0.518 1805 T N -0.232 114.225 114.554 -0.163 0.000 2.720 1805 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 1805 T C 2.018 176.454 174.700 -0.439 0.000 1.037 1805 T CA 1.475 63.443 62.100 -0.220 0.000 1.144 1805 T CB -1.043 67.808 68.868 -0.029 0.000 0.864 1805 T HN 0.598 nan 8.240 nan 0.000 0.444 1806 G N 1.130 109.628 108.800 -0.504 0.000 2.446 1806 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.217 1806 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.217 1806 G C 1.836 176.423 174.900 -0.521 0.000 1.168 1806 G CA 0.912 45.512 45.100 -0.832 0.000 0.771 1806 G HN 0.584 nan 8.290 nan 0.000 0.551 1807 A N 0.336 122.950 122.820 -0.344 0.000 1.972 1807 A HA 0.004 4.324 4.320 -0.000 0.000 0.219 1807 A C 2.137 179.533 177.584 -0.312 0.000 1.169 1807 A CA 1.989 53.866 52.037 -0.266 0.000 0.635 1807 A CB -0.350 18.538 19.000 -0.188 0.000 0.810 1807 A HN 0.483 nan 8.150 nan 0.000 0.446 1808 E N -0.491 119.464 120.200 -0.408 0.000 2.107 1808 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 1808 E C 1.816 178.245 176.600 -0.285 0.000 0.982 1808 E CA 0.744 56.926 56.400 -0.363 0.000 0.809 1808 E CB -0.128 29.317 29.700 -0.425 0.000 0.756 1808 E HN 0.681 nan 8.360 nan 0.000 0.459 1809 I N 0.682 121.039 120.570 -0.355 0.000 2.202 1809 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 1809 I C 2.185 178.155 176.117 -0.245 0.000 1.091 1809 I CA 0.760 61.864 61.300 -0.327 0.000 1.368 1809 I CB -0.094 37.605 38.000 -0.502 0.000 1.058 1809 I HN 0.168 nan 8.210 nan 0.000 0.410 1810 L N 0.406 121.471 121.223 -0.263 0.000 2.081 1810 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 1810 L C 2.616 179.411 176.870 -0.125 0.000 1.080 1810 L CA 1.590 56.326 54.840 -0.174 0.000 0.754 1810 L CB -1.148 40.809 42.059 -0.170 0.000 0.893 1810 L HN 0.335 nan 8.230 nan 0.000 0.433 1811 G N 0.014 108.730 108.800 -0.139 0.000 2.418 1811 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 1811 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 1811 G C 1.575 176.433 174.900 -0.071 0.000 1.158 1811 G CA 0.554 45.592 45.100 -0.102 0.000 0.771 1811 G HN 0.284 nan 8.290 nan 0.000 0.545 1812 L N -0.101 121.074 121.223 -0.080 0.000 2.395 1812 L HA 0.220 4.560 4.340 -0.000 0.000 0.218 1812 L C 2.582 179.451 176.870 -0.002 0.000 1.130 1812 L CA 0.054 54.868 54.840 -0.043 0.000 0.826 1812 L CB -0.091 41.934 42.059 -0.056 0.000 0.941 1812 L HN 0.172 nan 8.230 nan 0.000 0.451 1813 I N -0.352 120.216 120.570 -0.003 0.000 2.286 1813 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 1813 I C 2.023 178.197 176.117 0.095 0.000 1.104 1813 I CA 1.099 62.436 61.300 0.061 0.000 1.397 1813 I CB -0.086 37.940 38.000 0.043 0.000 1.072 1813 I HN 0.171 nan 8.210 nan 0.000 0.417 1814 D N 0.520 120.933 120.400 0.022 0.000 2.219 1814 D HA -0.205 4.435 4.640 -0.000 0.000 0.205 1814 D C 1.956 178.293 176.300 0.062 0.000 0.970 1814 D CA 0.778 54.793 54.000 0.026 0.000 0.851 1814 D CB 0.043 40.826 40.800 -0.029 0.000 0.943 1814 D HN 0.178 nan 8.370 nan 0.000 0.488 1815 E N -0.039 120.181 120.200 0.034 0.000 2.273 1815 E HA -0.192 4.158 4.350 -0.000 0.000 0.198 1815 E C 1.364 177.985 176.600 0.034 0.000 1.002 1815 E CA 1.157 57.572 56.400 0.025 0.000 0.828 1815 E CB 0.225 29.930 29.700 0.009 0.000 0.747 1815 E HN 0.014 nan 8.360 nan 0.000 0.491 1816 K N -0.590 119.849 120.400 0.065 0.000 2.244 1816 K HA 0.107 4.427 4.320 -0.000 0.000 0.200 1816 K C 0.778 177.358 176.600 -0.034 0.000 1.052 1816 K CA 0.501 56.797 56.287 0.015 0.000 0.980 1816 K CB -0.287 32.219 32.500 0.009 0.000 0.838 1816 K HN 0.306 nan 8.250 nan 0.000 0.481 1841 F N 0.002 119.961 119.950 0.014 0.000 2.589 1841 F HA 0.479 5.006 4.527 -0.000 0.000 0.185 1841 F C 0.833 176.644 175.800 0.018 0.000 1.459 1841 F CA 0.353 58.361 58.000 0.013 0.000 1.115 1841 F CB 0.395 39.404 39.000 0.014 0.000 1.969 1841 F HN -0.019 nan 8.300 nan 0.000 0.171 1842 E N -0.122 120.214 120.200 0.227 0.000 2.583 1842 E HA 0.184 4.534 4.350 -0.000 0.000 0.213 1842 E C 1.200 177.922 176.600 0.202 0.000 0.989 1842 E CA -0.113 56.350 56.400 0.105 0.000 0.991 1842 E CB 0.730 30.462 29.700 0.053 0.000 1.040 1842 E HN 0.224 nan 8.360 nan 0.000 0.481 1843 R N 0.763 121.409 120.500 0.244 0.000 2.312 1843 R HA -0.007 4.333 4.340 -0.000 0.000 0.205 1843 R C 0.567 176.978 176.300 0.184 0.000 0.904 1843 R CA 0.335 56.568 56.100 0.222 0.000 1.052 1843 R CB 0.412 30.804 30.300 0.153 0.000 1.014 1843 R HN 0.013 nan 8.270 nan 0.000 0.503 1844 D N 0.149 120.635 120.400 0.144 0.000 2.178 1844 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 1844 D C 1.741 178.108 176.300 0.112 0.000 0.980 1844 D CA 1.018 55.082 54.000 0.106 0.000 0.842 1844 D CB 0.150 40.996 40.800 0.076 0.000 0.948 1844 D HN 0.028 nan 8.370 nan 0.000 0.472 1845 V N 0.464 120.451 119.914 0.122 0.000 2.427 1845 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 1845 V C 2.297 178.501 176.094 0.183 0.000 1.051 1845 V CA 1.307 63.690 62.300 0.139 0.000 1.048 1845 V CB -0.483 31.396 31.823 0.094 0.000 0.666 1845 V HN 0.333 nan 8.190 nan 0.000 0.456 1846 H N -0.452 118.695 119.070 0.128 0.000 2.423 1846 H HA -0.025 4.531 4.556 -0.000 0.000 0.297 1846 H C 2.108 177.485 175.328 0.081 0.000 1.075 1846 H CA 1.424 57.546 56.048 0.124 0.000 1.342 1846 H CB 0.182 30.004 29.762 0.099 0.000 1.395 1846 H HN 0.278 nan 8.280 nan 0.000 0.530 1847 L N 0.243 121.588 121.223 0.204 0.000 2.109 1847 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 1847 L C 2.726 179.628 176.870 0.053 0.000 1.086 1847 L CA 0.779 55.685 54.840 0.110 0.000 0.760 1847 L CB -0.655 41.450 42.059 0.078 0.000 0.910 1847 L HN 0.214 nan 8.230 nan 0.000 0.437 1848 L N -1.125 120.129 121.223 0.052 0.000 2.083 1848 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 1848 L C 2.483 179.267 176.870 -0.144 0.000 1.083 1848 L CA 1.326 56.155 54.840 -0.018 0.000 0.752 1848 L CB -1.125 40.959 42.059 0.042 0.000 0.899 1848 L HN 0.434 nan 8.230 nan 0.000 0.433 1849 G N -0.173 108.577 108.800 -0.084 0.000 2.513 1849 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 1849 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 1849 G C 1.548 176.271 174.900 -0.294 0.000 1.160 1849 G CA 1.238 46.167 45.100 -0.285 0.000 0.767 1849 G HN 0.256 nan 8.290 nan 0.000 0.571 1850 V N 0.461 120.317 119.914 -0.097 0.000 2.287 1850 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 1850 V C 2.968 178.998 176.094 -0.107 0.000 1.053 1850 V CA 2.120 64.379 62.300 -0.068 0.000 1.027 1850 V CB -0.645 31.178 31.823 -0.001 0.000 0.646 1850 V HN 0.334 nan 8.190 nan 0.000 0.447 1851 Q N -0.170 119.562 119.800 -0.114 0.000 2.061 1851 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 1851 Q C 2.463 178.379 176.000 -0.139 0.000 0.984 1851 Q CA 1.820 57.561 55.803 -0.104 0.000 0.846 1851 Q CB -0.661 28.015 28.738 -0.103 0.000 0.902 1851 Q HN 0.591 nan 8.270 nan 0.000 0.421 1852 V N 1.374 121.120 119.914 -0.279 0.000 2.407 1852 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 1852 V C 2.483 178.465 176.094 -0.186 0.000 1.055 1852 V CA 1.642 63.750 62.300 -0.320 0.000 1.049 1852 V CB -0.545 30.863 31.823 -0.693 0.000 0.662 1852 V HN 0.347 nan 8.190 nan 0.000 0.455 1853 Q N -0.144 119.505 119.800 -0.251 0.000 2.079 1853 Q HA -0.217 4.123 4.340 -0.000 0.000 0.200 1853 Q C 2.348 178.317 176.000 -0.051 0.000 0.974 1853 Q CA 1.762 57.473 55.803 -0.154 0.000 0.840 1853 Q CB -0.179 28.462 28.738 -0.161 0.000 0.898 1853 Q HN 0.719 nan 8.270 nan 0.000 0.430 1854 Q N -0.913 118.871 119.800 -0.027 0.000 2.135 1854 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 1854 Q C 1.813 177.845 176.000 0.053 0.000 0.981 1854 Q CA 1.417 57.227 55.803 0.012 0.000 0.856 1854 Q CB -0.218 28.532 28.738 0.020 0.000 0.902 1854 Q HN 0.312 nan 8.270 nan 0.000 0.425 1855 F N 1.286 121.188 119.950 -0.081 0.000 2.325 1855 F HA -0.129 4.398 4.527 0.000 0.000 0.299 1855 F C 1.972 177.771 175.800 -0.002 0.000 1.090 1855 F CA 1.183 59.151 58.000 -0.054 0.000 1.392 1855 F CB 0.167 39.089 39.000 -0.131 0.000 1.053 1855 F HN -0.002 nan 8.300 nan 0.000 0.521 1856 Q N -0.105 119.695 119.800 0.000 0.000 2.137 1856 Q HA -0.157 4.183 4.340 -0.000 0.000 0.198 1856 Q C 1.709 177.643 176.000 -0.110 0.000 0.960 1856 Q CA 1.342 57.102 55.803 -0.073 0.000 0.847 1856 Q CB -0.205 28.530 28.738 -0.006 0.000 0.915 1856 Q HN 0.395 nan 8.270 nan 0.000 0.448 1857 D N 0.278 120.633 120.400 -0.075 0.000 2.123 1857 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 1857 D C 1.995 178.231 176.300 -0.106 0.000 0.992 1857 D CA 0.959 54.918 54.000 -0.069 0.000 0.833 1857 D CB -0.071 40.706 40.800 -0.038 0.000 0.954 1857 D HN 0.050 nan 8.370 nan 0.000 0.455 1858 V N 1.721 121.554 119.914 -0.136 0.000 2.237 1858 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 1858 V C 2.645 178.550 176.094 -0.315 0.000 1.046 1858 V CA 1.941 64.135 62.300 -0.176 0.000 1.007 1858 V CB -0.943 30.806 31.823 -0.124 0.000 0.638 1858 V HN 0.186 nan 8.190 nan 0.000 0.445 1859 A N -0.427 122.139 122.820 -0.423 0.000 1.917 1859 A HA -0.297 4.022 4.320 -0.000 0.000 0.219 1859 A C 2.370 179.764 177.584 -0.317 0.000 1.182 1859 A CA 2.805 54.529 52.037 -0.522 0.000 0.633 1859 A CB -1.130 17.646 19.000 -0.374 0.000 0.819 1859 A HN 0.538 nan 8.150 nan 0.000 0.448 1860 T N -0.914 113.520 114.554 -0.200 0.000 2.684 1860 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 1860 T C 2.107 176.739 174.700 -0.112 0.000 1.036 1860 T CA 1.414 63.440 62.100 -0.125 0.000 1.148 1860 T CB -0.259 68.560 68.868 -0.082 0.000 0.863 1860 T HN 0.518 nan 8.240 nan 0.000 0.436 1861 R N 0.752 121.181 120.500 -0.118 0.000 2.073 1861 R HA -0.017 4.323 4.340 -0.000 0.000 0.234 1861 R C 2.356 178.611 176.300 -0.075 0.000 1.134 1861 R CA 1.308 57.359 56.100 -0.082 0.000 0.952 1861 R CB -0.593 29.665 30.300 -0.070 0.000 0.850 1861 R HN 0.394 nan 8.270 nan 0.000 0.433 1862 L N 0.702 121.841 121.223 -0.139 0.000 2.362 1862 L HA -0.132 4.208 4.340 -0.000 0.000 0.219 1862 L C 2.525 179.399 176.870 0.008 0.000 1.134 1862 L CA 0.913 55.703 54.840 -0.083 0.000 0.807 1862 L CB -0.268 41.602 42.059 -0.316 0.000 0.927 1862 L HN 0.315 nan 8.230 nan 0.000 0.447 1863 Q N -0.392 119.368 119.800 -0.067 0.000 2.119 1863 Q HA -0.166 4.174 4.340 -0.000 0.000 0.201 1863 Q C 2.340 178.354 176.000 0.023 0.000 0.972 1863 Q CA 2.047 57.838 55.803 -0.021 0.000 0.847 1863 Q CB -0.107 28.596 28.738 -0.057 0.000 0.903 1863 Q HN 0.651 nan 8.270 nan 0.000 0.433 1864 T N -1.429 113.126 114.554 0.001 0.000 2.788 1864 T HA -0.050 4.300 4.350 -0.000 0.000 0.268 1864 T C 1.885 176.575 174.700 -0.017 0.000 1.044 1864 T CA 1.048 63.142 62.100 -0.009 0.000 1.139 1864 T CB -0.191 68.665 68.868 -0.021 0.000 0.867 1864 T HN 0.234 nan 8.240 nan 0.000 0.454 1865 A N -0.127 122.693 122.820 0.001 0.000 2.119 1865 A HA 0.342 4.662 4.320 -0.000 0.000 0.216 1865 A C 0.337 177.727 177.584 -0.323 0.000 1.152 1865 A CA 0.125 52.084 52.037 -0.130 0.000 0.708 1865 A CB -0.382 18.561 19.000 -0.095 0.000 0.805 1865 A HN 0.645 nan 8.150 nan 0.000 0.460 1866 Y N -2.100 118.176 120.300 -0.040 0.000 2.499 1866 Y HA 0.638 5.188 4.550 -0.000 0.000 0.347 1866 Y C 0.384 176.271 175.900 -0.023 0.000 0.987 1866 Y CA -0.380 57.703 58.100 -0.027 0.000 1.044 1866 Y CB 1.872 40.316 38.460 -0.026 0.000 1.245 1866 Y HN 0.170 nan 8.280 nan 0.000 0.461 1867 A N 0.983 123.881 122.820 0.129 0.000 2.470 1867 A HA 0.903 5.223 4.320 -0.000 0.000 0.271 1867 A C 0.399 178.038 177.584 0.092 0.000 1.269 1867 A CA -0.307 51.777 52.037 0.078 0.000 0.828 1867 A CB 0.448 19.466 19.000 0.030 0.000 1.374 1867 A HN 1.432 nan 8.150 nan 0.000 0.454 1868 G N -0.081 108.753 108.800 0.057 0.000 2.598 1868 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.269 1868 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.269 1868 G C 0.474 175.407 174.900 0.056 0.000 1.289 1868 G CA 1.069 46.199 45.100 0.051 0.000 0.926 1868 G HN 1.762 nan 8.290 nan 0.000 0.567 1869 E N -0.174 120.055 120.200 0.049 0.000 2.482 1869 E HA 0.118 4.468 4.350 -0.000 0.000 0.196 1869 E C 1.990 178.617 176.600 0.045 0.000 1.047 1869 E CA 1.049 57.473 56.400 0.041 0.000 0.869 1869 E CB 0.075 29.792 29.700 0.028 0.000 0.836 1869 E HN 0.320 nan 8.360 nan 0.000 0.520 1870 K N 1.140 121.577 120.400 0.062 0.000 2.031 1870 K HA 0.026 4.346 4.320 -0.000 0.000 0.205 1870 K C 2.191 178.790 176.600 -0.003 0.000 1.049 1870 K CA 1.223 57.527 56.287 0.028 0.000 0.939 1870 K CB -0.525 32.029 32.500 0.091 0.000 0.717 1870 K HN 0.256 nan 8.250 nan 0.000 0.438 1871 A N 1.596 124.450 122.820 0.056 0.000 1.873 1871 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 1871 A C 2.120 179.713 177.584 0.016 0.000 1.193 1871 A CA 1.993 54.049 52.037 0.032 0.000 0.629 1871 A CB -0.617 18.422 19.000 0.064 0.000 0.826 1871 A HN 0.415 nan 8.150 nan 0.000 0.447 1872 E N -0.583 119.639 120.200 0.036 0.000 2.085 1872 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 1872 E C 2.303 178.944 176.600 0.068 0.000 0.994 1872 E CA 1.006 57.430 56.400 0.041 0.000 0.801 1872 E CB -0.297 29.426 29.700 0.038 0.000 0.743 1872 E HN 0.631 nan 8.360 nan 0.000 0.453 1873 A N 0.854 123.736 122.820 0.103 0.000 1.940 1873 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 1873 A C 2.122 179.866 177.584 0.267 0.000 1.176 1873 A CA 1.159 53.325 52.037 0.214 0.000 0.631 1873 A CB -0.536 18.612 19.000 0.247 0.000 0.814 1873 A HN 0.170 nan 8.150 nan 0.000 0.446 1874 I N -0.575 120.070 120.570 0.124 0.000 2.252 1874 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 1874 I C 2.774 178.875 176.117 -0.026 0.000 1.102 1874 I CA 1.136 62.390 61.300 -0.077 0.000 1.385 1874 I CB -0.370 37.440 38.000 -0.316 0.000 1.064 1874 I HN 0.388 nan 8.210 nan 0.000 0.414 1875 Q N 0.809 120.606 119.800 -0.005 0.000 2.045 1875 Q HA -0.222 4.118 4.340 -0.000 0.000 0.206 1875 Q C 2.028 178.056 176.000 0.046 0.000 0.991 1875 Q CA 1.674 57.483 55.803 0.010 0.000 0.851 1875 Q CB -0.557 28.191 28.738 0.015 0.000 0.911 1875 Q HN 0.607 nan 8.270 nan 0.000 0.418 1876 N N 0.774 119.514 118.700 0.067 0.000 2.043 1876 N HA -0.139 4.601 4.740 -0.000 0.000 0.193 1876 N C 1.664 177.224 175.510 0.083 0.000 1.037 1876 N CA 0.935 54.029 53.050 0.073 0.000 0.851 1876 N CB -0.287 38.250 38.487 0.083 0.000 1.027 1876 N HN 0.114 nan 8.380 nan 0.000 0.422 1877 K N 1.359 121.820 120.400 0.102 0.000 2.152 1877 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 1877 K C 1.839 178.540 176.600 0.167 0.000 1.048 1877 K CA 0.599 56.936 56.287 0.083 0.000 0.933 1877 K CB -0.210 32.276 32.500 -0.024 0.000 0.721 1877 K HN 0.328 nan 8.250 nan 0.000 0.447 1878 E N 1.316 121.630 120.200 0.190 0.000 2.051 1878 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 1878 E C 1.702 178.397 176.600 0.158 0.000 0.991 1878 E CA 1.412 57.945 56.400 0.222 0.000 0.799 1878 E CB 0.117 29.863 29.700 0.076 0.000 0.748 1878 E HN 0.349 nan 8.360 nan 0.000 0.449 1879 Q N 0.048 119.907 119.800 0.098 0.000 2.297 1879 Q HA -0.076 4.264 4.340 -0.000 0.000 0.204 1879 Q C 2.050 178.088 176.000 0.063 0.000 0.962 1879 Q CA 1.034 56.881 55.803 0.074 0.000 0.879 1879 Q CB 0.085 28.854 28.738 0.052 0.000 0.947 1879 Q HN 0.340 nan 8.270 nan 0.000 0.462 1880 E N -0.226 120.008 120.200 0.056 0.000 2.072 1880 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 1880 E C 1.796 178.404 176.600 0.014 0.000 0.982 1880 E CA 0.933 57.348 56.400 0.025 0.000 0.803 1880 E CB 0.267 29.973 29.700 0.011 0.000 0.755 1880 E HN 0.137 nan 8.360 nan 0.000 0.453 1881 V N 1.089 121.014 119.914 0.018 0.000 2.270 1881 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 1881 V C 2.446 178.586 176.094 0.076 0.000 1.043 1881 V CA 1.996 64.281 62.300 -0.026 0.000 1.014 1881 V CB -0.468 31.263 31.823 -0.154 0.000 0.645 1881 V HN 0.380 nan 8.190 nan 0.000 0.447 1882 S N 1.117 116.895 115.700 0.129 0.000 2.383 1882 S HA -0.200 4.269 4.470 -0.000 0.000 0.229 1882 S C 2.132 176.851 174.600 0.198 0.000 1.030 1882 S CA 1.340 59.665 58.200 0.209 0.000 1.002 1882 S CB -0.738 62.569 63.200 0.179 0.000 0.829 1882 S HN 0.604 nan 8.310 nan 0.000 0.467 1883 A N 2.779 125.663 122.820 0.107 0.000 1.841 1883 A HA 0.122 4.442 4.320 -0.000 0.000 0.216 1883 A C 2.605 180.215 177.584 0.043 0.000 1.199 1883 A CA 2.166 54.237 52.037 0.056 0.000 0.621 1883 A CB -1.688 17.328 19.000 0.027 0.000 0.835 1883 A HN 0.795 nan 8.150 nan 0.000 0.445 1884 A N -1.836 121.006 122.820 0.037 0.000 1.927 1884 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 1884 A C 2.013 179.645 177.584 0.080 0.000 1.185 1884 A CA 2.033 54.077 52.037 0.012 0.000 0.639 1884 A CB -0.987 18.005 19.000 -0.012 0.000 0.820 1884 A HN 0.937 nan 8.150 nan 0.000 0.451 1885 W N 0.091 121.365 121.300 -0.043 0.000 2.407 1885 W HA -0.094 4.566 4.660 -0.000 0.000 0.305 1885 W C 2.227 178.741 176.519 -0.009 0.000 1.196 1885 W CA 1.669 58.999 57.345 -0.025 0.000 1.311 1885 W CB -0.252 29.188 29.460 -0.034 0.000 1.135 1885 W HN 0.299 nan 8.180 nan 0.000 0.514 1886 Q N 0.576 120.295 119.800 -0.135 0.000 2.152 1886 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 1886 Q C 2.274 178.112 176.000 -0.270 0.000 0.985 1886 Q CA 2.071 57.673 55.803 -0.335 0.000 0.863 1886 Q CB -1.137 27.529 28.738 -0.120 0.000 0.904 1886 Q HN 0.430 nan 8.270 nan 0.000 0.422 1887 A N 0.434 123.171 122.820 -0.138 0.000 1.877 1887 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 1887 A C 2.083 179.649 177.584 -0.030 0.000 1.186 1887 A CA 1.414 53.405 52.037 -0.076 0.000 0.620 1887 A CB -0.679 18.288 19.000 -0.055 0.000 0.822 1887 A HN 0.376 nan 8.150 nan 0.000 0.443 1888 L N -1.110 120.114 121.223 0.000 0.000 2.191 1888 L HA -0.031 4.309 4.340 -0.000 0.000 0.212 1888 L C 1.997 178.754 176.870 -0.188 0.000 1.103 1888 L CA 1.492 56.368 54.840 0.060 0.000 0.769 1888 L CB -0.446 41.697 42.059 0.141 0.000 0.908 1888 L HN 0.285 nan 8.230 nan 0.000 0.438 1889 L N -0.872 120.114 121.223 -0.395 0.000 2.395 1889 L HA -0.058 4.282 4.340 -0.000 0.000 0.218 1889 L C 1.766 178.474 176.870 -0.272 0.000 1.130 1889 L CA 1.237 55.805 54.840 -0.454 0.000 0.826 1889 L CB -0.597 40.971 42.059 -0.818 0.000 0.941 1889 L HN 0.298 nan 8.230 nan 0.000 0.451 1890 D N -0.528 119.751 120.400 -0.201 0.000 2.216 1890 D HA 0.112 4.752 4.640 -0.000 0.000 0.208 1890 D C 1.210 177.449 176.300 -0.102 0.000 0.960 1890 D CA 0.841 54.764 54.000 -0.130 0.000 0.861 1890 D CB 0.034 40.776 40.800 -0.097 0.000 0.985 1890 D HN 0.321 nan 8.370 nan 0.000 0.493 1891 A N 0.000 122.760 122.820 -0.099 0.000 2.254 1891 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1891 A CA 0.000 51.970 52.037 -0.112 0.000 0.836 1891 A CB 0.000 18.913 19.000 -0.144 0.000 0.831 1891 A HN 0.000 nan 8.150 nan 0.000 0.486