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 3kbt_1_A DATA FIRST_RESID 1585 DATA SEQUENCE EAQQYYLDAD EAEAWIGEQE LYVISDEIPK DEEGAIVMLK RHLRQQRAVE DATA SEQUENCE DYGRNIKQLA SRAQGLLSAG HPEGEQIIRL QGQVDKHYAG LKDVAEERKR DATA SEQUENCE KLENMYHLFQ LKRETDDLEQ WISEKELVAS SPEMGQDFDH VTLLRDKFRD DATA SEQUENCE FARETGAIGQ ERVDNVNAFI ERLIDAGHSE AATIAEWKDG LNEMWADLLE DATA SEQUENCE LIDTRMQLLA ASYDLHRYFY TGAEILGLID EKHREXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXFERD VHLLGVQVQQ FQDVATRLQT AYAGEKAEAI QNKEQEVSAA DATA SEQUENCE WQALL 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 1585 E HA 0.000 nan 4.350 nan 0.000 0.291 1585 E C 0.000 176.554 176.600 -0.077 0.000 1.382 1585 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 1585 E CB 0.000 29.694 29.700 -0.010 0.000 0.812 1586 A N 1.783 124.516 122.820 -0.145 0.000 1.897 1586 A HA -0.209 4.123 4.320 0.020 0.000 0.215 1586 A C 2.094 179.507 177.584 -0.284 0.000 1.181 1586 A CA 1.882 53.697 52.037 -0.370 0.000 0.620 1586 A CB -0.673 17.964 19.000 -0.605 0.000 0.821 1586 A HN 0.345 nan 8.150 nan 0.000 0.443 1587 Q N -0.847 118.953 119.800 -0.002 0.000 2.112 1587 Q HA -0.335 4.017 4.340 0.020 0.000 0.206 1587 Q C 1.946 178.012 176.000 0.111 0.000 0.987 1587 Q CA 1.976 57.885 55.803 0.176 0.000 0.858 1587 Q CB -0.491 28.336 28.738 0.148 0.000 0.905 1587 Q HN 0.569 nan 8.270 nan 0.000 0.420 1588 Q N 0.333 120.152 119.800 0.030 0.000 2.123 1588 Q HA -0.161 4.190 4.340 0.020 0.000 0.199 1588 Q C 1.762 177.750 176.000 -0.019 0.000 0.966 1588 Q CA 1.518 57.329 55.803 0.013 0.000 0.845 1588 Q CB -0.542 28.198 28.738 0.002 0.000 0.907 1588 Q HN 0.637 nan 8.270 nan 0.000 0.439 1589 Y N -0.441 119.747 120.300 -0.185 0.000 2.145 1589 Y HA -0.304 4.258 4.550 0.020 0.000 0.286 1589 Y C 1.569 177.386 175.900 -0.138 0.000 1.145 1589 Y CA 2.049 60.015 58.100 -0.224 0.000 1.148 1589 Y CB -0.448 37.794 38.460 -0.364 0.000 0.981 1589 Y HN 0.223 nan 8.280 nan 0.000 0.507 1590 Y N -0.171 120.156 120.300 0.046 0.000 2.165 1590 Y HA -0.320 4.242 4.550 0.019 0.000 0.286 1590 Y C 2.403 178.249 175.900 -0.091 0.000 1.155 1590 Y CA 1.409 59.503 58.100 -0.011 0.000 1.164 1590 Y CB -0.547 37.951 38.460 0.064 0.000 0.978 1590 Y HN 0.133 nan 8.280 nan 0.000 0.513 1591 L N -0.325 120.951 121.223 0.089 0.000 2.017 1591 L HA -0.258 4.094 4.340 0.020 0.000 0.208 1591 L C 2.011 178.859 176.870 -0.038 0.000 1.073 1591 L CA 1.330 56.189 54.840 0.032 0.000 0.745 1591 L CB -0.548 41.529 42.059 0.031 0.000 0.894 1591 L HN 0.191 nan 8.230 nan 0.000 0.432 1592 D N 0.085 120.412 120.400 -0.121 0.000 2.123 1592 D HA -0.186 4.465 4.640 0.020 0.000 0.196 1592 D C 2.212 178.394 176.300 -0.198 0.000 0.992 1592 D CA 1.613 55.511 54.000 -0.171 0.000 0.833 1592 D CB -0.099 40.561 40.800 -0.234 0.000 0.954 1592 D HN 0.351 nan 8.370 nan 0.000 0.455 1593 A N 0.957 123.579 122.820 -0.330 0.000 1.898 1593 A HA -0.166 4.166 4.320 0.020 0.000 0.216 1593 A C 1.838 179.402 177.584 -0.034 0.000 1.181 1593 A CA 1.562 53.452 52.037 -0.245 0.000 0.620 1593 A CB -0.345 18.448 19.000 -0.345 0.000 0.819 1593 A HN 0.017 nan 8.150 nan 0.000 0.442 1594 D N -0.632 119.767 120.400 -0.001 0.000 2.144 1594 D HA -0.150 4.502 4.640 0.020 0.000 0.199 1594 D C 1.880 178.222 176.300 0.070 0.000 0.984 1594 D CA 1.451 55.482 54.000 0.052 0.000 0.834 1594 D CB -0.258 40.574 40.800 0.053 0.000 0.955 1594 D HN 0.760 nan 8.370 nan 0.000 0.465 1595 E N 0.447 120.681 120.200 0.056 0.000 2.072 1595 E HA -0.120 4.241 4.350 0.020 0.000 0.191 1595 E C 1.976 178.683 176.600 0.178 0.000 0.985 1595 E CA 0.947 57.406 56.400 0.099 0.000 0.801 1595 E CB 0.052 29.790 29.700 0.063 0.000 0.750 1595 E HN 0.143 nan 8.360 nan 0.000 0.452 1596 A N 1.459 124.375 122.820 0.159 0.000 1.877 1596 A HA -0.192 4.140 4.320 0.020 0.000 0.216 1596 A C 2.050 179.797 177.584 0.271 0.000 1.186 1596 A CA 1.456 53.652 52.037 0.265 0.000 0.620 1596 A CB -0.503 18.605 19.000 0.181 0.000 0.822 1596 A HN 0.250 nan 8.150 nan 0.000 0.443 1597 E N -0.025 120.292 120.200 0.195 0.000 2.058 1597 E HA -0.208 4.154 4.350 0.020 0.000 0.194 1597 E C 2.345 179.032 176.600 0.144 0.000 0.997 1597 E CA 1.384 57.895 56.400 0.185 0.000 0.801 1597 E CB -0.549 29.245 29.700 0.155 0.000 0.746 1597 E HN 0.584 nan 8.360 nan 0.000 0.450 1598 A N 0.302 123.205 122.820 0.139 0.000 1.930 1598 A HA -0.168 4.164 4.320 0.020 0.000 0.217 1598 A C 1.995 179.643 177.584 0.107 0.000 1.175 1598 A CA 1.280 53.381 52.037 0.106 0.000 0.627 1598 A CB -0.987 18.076 19.000 0.104 0.000 0.815 1598 A HN 0.428 nan 8.150 nan 0.000 0.443 1599 W N 0.612 121.891 121.300 -0.036 0.000 2.381 1599 W HA -0.133 4.539 4.660 0.020 0.000 0.301 1599 W C 1.756 178.180 176.519 -0.159 0.000 1.205 1599 W CA 1.904 59.171 57.345 -0.130 0.000 1.285 1599 W CB -0.170 29.127 29.460 -0.272 0.000 1.133 1599 W HN 0.298 nan 8.180 nan 0.000 0.521 1600 I N 0.424 121.102 120.570 0.180 0.000 2.226 1600 I HA -0.223 3.959 4.170 0.020 0.000 0.245 1600 I C 2.668 178.709 176.117 -0.128 0.000 1.100 1600 I CA 1.617 62.957 61.300 0.067 0.000 1.374 1600 I CB -1.310 36.841 38.000 0.252 0.000 1.057 1600 I HN 0.160 nan 8.210 nan 0.000 0.413 1601 G N 0.298 109.045 108.800 -0.088 0.000 2.418 1601 G HA2 -0.317 3.655 3.960 0.020 0.000 0.217 1601 G HA3 -0.317 3.655 3.960 0.020 0.000 0.217 1601 G C 1.526 176.312 174.900 -0.189 0.000 1.158 1601 G CA 1.030 46.050 45.100 -0.134 0.000 0.771 1601 G HN 0.334 nan 8.290 nan 0.000 0.545 1602 E N 0.410 120.512 120.200 -0.163 0.000 2.051 1602 E HA -0.128 4.233 4.350 0.020 0.000 0.192 1602 E C 2.623 179.064 176.600 -0.265 0.000 0.991 1602 E CA 1.276 57.608 56.400 -0.112 0.000 0.799 1602 E CB -0.268 29.342 29.700 -0.149 0.000 0.748 1602 E HN 0.378 nan 8.360 nan 0.000 0.449 1603 Q N 0.128 119.619 119.800 -0.515 0.000 2.124 1603 Q HA -0.176 4.176 4.340 0.020 0.000 0.202 1603 Q C 2.171 177.988 176.000 -0.305 0.000 0.977 1603 Q CA 1.561 57.062 55.803 -0.504 0.000 0.850 1603 Q CB -0.207 28.074 28.738 -0.761 0.000 0.901 1603 Q HN 0.512 nan 8.270 nan 0.000 0.429 1604 E N 0.262 120.292 120.200 -0.283 0.000 2.046 1604 E HA -0.072 4.290 4.350 0.020 0.000 0.190 1604 E C 2.054 178.492 176.600 -0.271 0.000 0.982 1604 E CA 0.431 56.697 56.400 -0.223 0.000 0.800 1604 E CB 0.171 29.759 29.700 -0.186 0.000 0.756 1604 E HN 0.240 nan 8.360 nan 0.000 0.449 1605 L N -0.553 120.417 121.223 -0.423 0.000 2.270 1605 L HA -0.052 4.299 4.340 0.020 0.000 0.210 1605 L C 1.546 178.007 176.870 -0.681 0.000 1.104 1605 L CA 0.610 55.047 54.840 -0.671 0.000 0.804 1605 L CB -0.002 41.378 42.059 -1.130 0.000 0.937 1605 L HN 0.227 nan 8.230 nan 0.000 0.450 1606 Y N -2.512 117.719 120.300 -0.115 0.000 2.589 1606 Y HA 0.134 4.696 4.550 0.020 0.000 0.271 1606 Y C 2.106 177.944 175.900 -0.103 0.000 1.107 1606 Y CA -0.143 57.897 58.100 -0.101 0.000 1.273 1606 Y CB -0.314 38.086 38.460 -0.100 0.000 1.266 1606 Y HN -0.266 nan 8.280 nan 0.000 0.504 1607 V N 0.658 120.560 119.914 -0.020 0.000 2.331 1607 V HA -0.099 4.033 4.120 0.020 0.000 0.242 1607 V C 1.101 177.175 176.094 -0.033 0.000 1.034 1607 V CA 0.720 62.989 62.300 -0.051 0.000 1.027 1607 V CB -0.293 31.451 31.823 -0.132 0.000 0.667 1607 V HN 0.092 nan 8.190 nan 0.000 0.457 1608 I N 0.250 120.789 120.570 -0.052 0.000 2.779 1608 I HA 0.175 4.357 4.170 0.020 0.000 0.285 1608 I C 0.451 176.560 176.117 -0.013 0.000 1.134 1608 I CA 0.764 62.066 61.300 0.004 0.000 1.398 1608 I CB 0.908 38.916 38.000 0.012 0.000 1.404 1608 I HN 0.208 nan 8.210 nan 0.000 0.587 1609 S N 1.843 117.540 115.700 -0.004 0.000 2.599 1609 S HA 0.342 4.824 4.470 0.020 0.000 0.294 1609 S C -0.184 174.388 174.600 -0.046 0.000 1.094 1609 S CA -0.730 57.458 58.200 -0.020 0.000 0.931 1609 S CB 1.485 64.684 63.200 -0.003 0.000 1.093 1609 S HN 0.586 nan 8.310 nan 0.000 0.488 1610 D N 1.305 121.681 120.400 -0.040 0.000 2.369 1610 D HA 0.157 4.809 4.640 0.020 0.000 0.211 1610 D C 0.203 176.484 176.300 -0.031 0.000 1.077 1610 D CA 0.029 54.002 54.000 -0.045 0.000 0.842 1610 D CB 0.162 40.938 40.800 -0.039 0.000 0.947 1610 D HN 0.631 nan 8.370 nan 0.000 0.509 1611 E N 0.676 120.863 120.200 -0.021 0.000 2.437 1611 E HA 0.078 4.440 4.350 0.020 0.000 0.263 1611 E C -0.263 176.338 176.600 0.001 0.000 1.030 1611 E CA 0.223 56.620 56.400 -0.006 0.000 0.934 1611 E CB 0.686 30.385 29.700 -0.001 0.000 0.943 1611 E HN 0.059 nan 8.360 nan 0.000 0.444 1612 I N 6.491 127.073 120.570 0.019 0.000 2.355 1612 I HA 0.221 4.403 4.170 0.020 0.000 0.288 1612 I C -1.940 174.222 176.117 0.075 0.000 0.999 1612 I CA -2.317 59.010 61.300 0.045 0.000 1.163 1612 I CB 1.395 39.422 38.000 0.046 0.000 1.316 1612 I HN 0.440 nan 8.210 nan 0.000 0.454 1613 P HA 0.031 nan 4.420 nan 0.000 0.262 1613 P C -0.243 177.136 177.300 0.132 0.000 1.182 1613 P CA 0.022 63.190 63.100 0.114 0.000 0.761 1613 P CB 0.742 32.559 31.700 0.195 0.000 0.795 1614 K N 1.214 121.621 120.400 0.011 0.000 2.186 1614 K HA -0.014 4.318 4.320 0.020 0.000 0.202 1614 K C 0.388 176.835 176.600 -0.254 0.000 1.052 1614 K CA 1.008 57.286 56.287 -0.015 0.000 0.965 1614 K CB -0.078 32.408 32.500 -0.023 0.000 0.746 1614 K HN 0.644 nan 8.250 nan 0.000 0.457 1615 D N -1.571 118.511 120.400 -0.531 0.000 2.626 1615 D HA 0.034 4.686 4.640 0.020 0.000 0.278 1615 D C 0.266 175.999 176.300 -0.946 0.000 1.211 1615 D CA -0.857 52.586 54.000 -0.930 0.000 0.903 1615 D CB 0.717 41.283 40.800 -0.390 0.000 1.408 1615 D HN -0.092 nan 8.370 nan 0.000 0.454 1616 E N -0.387 119.390 120.200 -0.704 0.000 2.065 1616 E HA -0.321 4.041 4.350 0.020 0.000 0.201 1616 E C 1.076 177.681 176.600 0.008 0.000 1.016 1616 E CA 1.881 58.227 56.400 -0.090 0.000 0.818 1616 E CB 0.083 29.843 29.700 0.098 0.000 0.749 1616 E HN 0.496 nan 8.360 nan 0.000 0.453 1617 E N -0.232 119.934 120.200 -0.057 0.000 2.033 1617 E HA -0.183 4.178 4.350 0.020 0.000 0.199 1617 E C 2.003 178.574 176.600 -0.049 0.000 1.011 1617 E CA 1.398 57.776 56.400 -0.037 0.000 0.815 1617 E CB -0.868 28.803 29.700 -0.047 0.000 0.755 1617 E HN 0.458 nan 8.360 nan 0.000 0.451 1618 G N 0.543 109.295 108.800 -0.079 0.000 2.469 1618 G HA2 -0.274 3.697 3.960 0.020 0.000 0.219 1618 G HA3 -0.274 3.697 3.960 0.020 0.000 0.219 1618 G C 1.685 176.574 174.900 -0.020 0.000 1.150 1618 G CA 1.298 46.366 45.100 -0.054 0.000 0.763 1618 G HN 0.410 nan 8.290 nan 0.000 0.561 1619 A N 0.784 123.612 122.820 0.013 0.000 1.877 1619 A HA 0.043 4.375 4.320 0.020 0.000 0.216 1619 A C 2.416 179.971 177.584 -0.048 0.000 1.186 1619 A CA 1.327 53.420 52.037 0.093 0.000 0.620 1619 A CB -0.343 18.862 19.000 0.341 0.000 0.822 1619 A HN 0.382 nan 8.150 nan 0.000 0.443 1620 I N -0.439 120.059 120.570 -0.121 0.000 2.179 1620 I HA -0.230 3.952 4.170 0.020 0.000 0.242 1620 I C 2.394 178.426 176.117 -0.141 0.000 1.088 1620 I CA 1.267 62.412 61.300 -0.258 0.000 1.357 1620 I CB -0.570 37.312 38.000 -0.197 0.000 1.051 1620 I HN 0.156 nan 8.210 nan 0.000 0.409 1621 V N 0.863 120.731 119.914 -0.077 0.000 2.233 1621 V HA -0.353 3.779 4.120 0.020 0.000 0.247 1621 V C 2.532 178.607 176.094 -0.032 0.000 1.050 1621 V CA 2.228 64.501 62.300 -0.046 0.000 1.010 1621 V CB -0.541 31.264 31.823 -0.031 0.000 0.637 1621 V HN 0.382 nan 8.190 nan 0.000 0.444 1622 M N -1.080 118.507 119.600 -0.022 0.000 2.149 1622 M HA -0.221 4.271 4.480 0.020 0.000 0.261 1622 M C 2.170 178.478 176.300 0.013 0.000 1.064 1622 M CA 1.822 57.121 55.300 -0.001 0.000 1.102 1622 M CB -0.476 32.126 32.600 0.003 0.000 1.369 1622 M HN 0.347 nan 8.290 nan 0.000 0.408 1623 L N 0.466 121.672 121.223 -0.028 0.000 2.027 1623 L HA -0.169 4.182 4.340 0.020 0.000 0.206 1623 L C 2.349 179.220 176.870 0.001 0.000 1.074 1623 L CA 1.924 56.753 54.840 -0.018 0.000 0.745 1623 L CB -0.643 41.337 42.059 -0.131 0.000 0.898 1623 L HN 0.172 nan 8.230 nan 0.000 0.433 1624 K N -0.594 119.780 120.400 -0.043 0.000 2.063 1624 K HA -0.269 4.062 4.320 0.020 0.000 0.208 1624 K C 2.431 179.029 176.600 -0.003 0.000 1.048 1624 K CA 1.827 58.096 56.287 -0.030 0.000 0.928 1624 K CB -0.205 32.270 32.500 -0.042 0.000 0.713 1624 K HN 0.310 nan 8.250 nan 0.000 0.442 1625 R N -0.451 120.055 120.500 0.010 0.000 2.073 1625 R HA -0.209 4.142 4.340 0.020 0.000 0.234 1625 R C 2.327 178.650 176.300 0.038 0.000 1.134 1625 R CA 1.999 58.112 56.100 0.020 0.000 0.952 1625 R CB -0.474 29.840 30.300 0.022 0.000 0.850 1625 R HN 0.355 nan 8.270 nan 0.000 0.433 1626 H N 0.565 119.621 119.070 -0.023 0.000 2.352 1626 H HA -0.088 4.480 4.556 0.021 0.000 0.299 1626 H C 1.947 177.269 175.328 -0.010 0.000 1.097 1626 H CA 2.253 58.290 56.048 -0.019 0.000 1.311 1626 H CB -0.249 29.499 29.762 -0.024 0.000 1.377 1626 H HN 0.192 nan 8.280 nan 0.000 0.504 1627 L N -0.228 120.949 121.223 -0.077 0.000 2.042 1627 L HA -0.203 4.148 4.340 0.020 0.000 0.210 1627 L C 2.704 179.506 176.870 -0.113 0.000 1.076 1627 L CA 1.690 56.462 54.840 -0.112 0.000 0.749 1627 L CB -0.376 41.667 42.059 -0.026 0.000 0.893 1627 L HN 0.291 nan 8.230 nan 0.000 0.432 1628 R N -0.313 120.147 120.500 -0.067 0.000 2.081 1628 R HA -0.183 4.169 4.340 0.020 0.000 0.235 1628 R C 2.326 178.597 176.300 -0.048 0.000 1.131 1628 R CA 1.347 57.425 56.100 -0.036 0.000 0.960 1628 R CB -0.324 29.969 30.300 -0.012 0.000 0.856 1628 R HN 0.472 nan 8.270 nan 0.000 0.436 1629 Q N 0.325 120.067 119.800 -0.096 0.000 2.084 1629 Q HA -0.213 4.139 4.340 0.020 0.000 0.202 1629 Q C 2.201 178.131 176.000 -0.117 0.000 0.978 1629 Q CA 1.399 57.147 55.803 -0.091 0.000 0.844 1629 Q CB -0.047 28.631 28.738 -0.099 0.000 0.898 1629 Q HN 0.398 nan 8.270 nan 0.000 0.426 1630 Q N 0.811 120.457 119.800 -0.258 0.000 2.119 1630 Q HA -0.154 4.197 4.340 0.020 0.000 0.201 1630 Q C 1.953 177.933 176.000 -0.032 0.000 0.972 1630 Q CA 0.944 56.636 55.803 -0.184 0.000 0.847 1630 Q CB 0.141 28.699 28.738 -0.301 0.000 0.903 1630 Q HN 0.257 nan 8.270 nan 0.000 0.433 1631 R N -0.275 120.213 120.500 -0.020 0.000 2.096 1631 R HA -0.132 4.219 4.340 0.020 0.000 0.235 1631 R C 2.271 178.624 176.300 0.089 0.000 1.127 1631 R CA 1.093 57.212 56.100 0.033 0.000 0.968 1631 R CB -0.283 30.030 30.300 0.022 0.000 0.861 1631 R HN 0.299 nan 8.270 nan 0.000 0.440 1632 A N 0.474 123.360 122.820 0.111 0.000 1.877 1632 A HA -0.118 4.213 4.320 0.020 0.000 0.216 1632 A C 2.319 180.105 177.584 0.336 0.000 1.186 1632 A CA 1.355 53.518 52.037 0.210 0.000 0.620 1632 A CB -0.547 18.587 19.000 0.225 0.000 0.822 1632 A HN 0.122 nan 8.150 nan 0.000 0.443 1633 V N -0.066 120.042 119.914 0.324 0.000 2.295 1633 V HA -0.286 3.846 4.120 0.020 0.000 0.246 1633 V C 2.458 178.801 176.094 0.414 0.000 1.049 1633 V CA 2.446 65.016 62.300 0.449 0.000 1.024 1633 V CB -0.819 31.145 31.823 0.235 0.000 0.648 1633 V HN 0.655 nan 8.190 nan 0.000 0.447 1634 E N -0.443 119.907 120.200 0.250 0.000 2.077 1634 E HA -0.254 4.107 4.350 0.020 0.000 0.193 1634 E C 2.080 178.801 176.600 0.201 0.000 0.989 1634 E CA 1.356 57.893 56.400 0.228 0.000 0.800 1634 E CB -0.196 29.579 29.700 0.125 0.000 0.746 1634 E HN 0.517 nan 8.360 nan 0.000 0.452 1635 D N -0.434 120.059 120.400 0.156 0.000 2.178 1635 D HA -0.177 4.474 4.640 0.020 0.000 0.201 1635 D C 1.526 177.841 176.300 0.025 0.000 0.980 1635 D CA 0.806 54.855 54.000 0.080 0.000 0.842 1635 D CB -0.052 40.797 40.800 0.080 0.000 0.948 1635 D HN 0.210 nan 8.370 nan 0.000 0.472 1636 Y N 0.751 121.003 120.300 -0.079 0.000 2.421 1636 Y HA -0.027 4.535 4.550 0.020 0.000 0.292 1636 Y C 2.268 177.968 175.900 -0.333 0.000 1.136 1636 Y CA 1.486 59.395 58.100 -0.317 0.000 1.255 1636 Y CB -0.345 37.754 38.460 -0.602 0.000 0.991 1636 Y HN -0.003 nan 8.280 nan 0.000 0.552 1637 G N 0.167 108.917 108.800 -0.084 0.000 2.503 1637 G HA2 -0.351 3.621 3.960 0.020 0.000 0.221 1637 G HA3 -0.351 3.621 3.960 0.020 0.000 0.221 1637 G C 1.827 176.566 174.900 -0.269 0.000 1.131 1637 G CA 1.141 46.090 45.100 -0.251 0.000 0.756 1637 G HN 0.348 nan 8.290 nan 0.000 0.572 1638 R N 0.123 120.495 120.500 -0.214 0.000 2.094 1638 R HA -0.122 4.229 4.340 0.020 0.000 0.239 1638 R C 2.559 178.677 176.300 -0.304 0.000 1.137 1638 R CA 1.500 57.472 56.100 -0.214 0.000 0.943 1638 R CB -0.400 29.790 30.300 -0.184 0.000 0.850 1638 R HN 0.339 nan 8.270 nan 0.000 0.433 1639 N N 0.552 118.960 118.700 -0.487 0.000 2.061 1639 N HA -0.186 4.566 4.740 0.020 0.000 0.193 1639 N C 1.783 177.041 175.510 -0.419 0.000 1.030 1639 N CA 1.361 54.064 53.050 -0.580 0.000 0.856 1639 N CB -0.211 37.591 38.487 -1.142 0.000 1.023 1639 N HN 0.172 nan 8.380 nan 0.000 0.424 1640 I N 1.674 121.987 120.570 -0.428 0.000 2.202 1640 I HA -0.167 4.014 4.170 0.020 0.000 0.242 1640 I C 2.203 178.209 176.117 -0.184 0.000 1.091 1640 I CA 1.033 62.153 61.300 -0.300 0.000 1.368 1640 I CB -0.956 36.775 38.000 -0.448 0.000 1.058 1640 I HN 0.121 nan 8.210 nan 0.000 0.410 1641 K N 0.393 120.686 120.400 -0.179 0.000 2.032 1641 K HA -0.230 4.102 4.320 0.020 0.000 0.209 1641 K C 2.116 178.664 176.600 -0.086 0.000 1.048 1641 K CA 1.335 57.561 56.287 -0.103 0.000 0.927 1641 K CB -0.251 32.195 32.500 -0.089 0.000 0.712 1641 K HN 0.361 nan 8.250 nan 0.000 0.441 1642 Q N 1.166 120.897 119.800 -0.115 0.000 2.096 1642 Q HA -0.182 4.169 4.340 0.020 0.000 0.204 1642 Q C 2.112 178.076 176.000 -0.060 0.000 0.982 1642 Q CA 1.307 57.054 55.803 -0.094 0.000 0.850 1642 Q CB -0.075 28.588 28.738 -0.126 0.000 0.901 1642 Q HN 0.354 nan 8.270 nan 0.000 0.422 1643 L N 0.135 121.319 121.223 -0.065 0.000 2.056 1643 L HA -0.166 4.186 4.340 0.020 0.000 0.207 1643 L C 2.642 179.572 176.870 0.101 0.000 1.078 1643 L CA 1.027 55.878 54.840 0.019 0.000 0.749 1643 L CB -0.645 41.393 42.059 -0.035 0.000 0.901 1643 L HN 0.263 nan 8.230 nan 0.000 0.433 1644 A N -0.678 122.163 122.820 0.036 0.000 1.883 1644 A HA -0.291 4.041 4.320 0.020 0.000 0.217 1644 A C 2.528 180.109 177.584 -0.005 0.000 1.186 1644 A CA 2.206 54.258 52.037 0.025 0.000 0.624 1644 A CB -0.897 18.105 19.000 0.002 0.000 0.822 1644 A HN 0.426 nan 8.150 nan 0.000 0.444 1645 S N -0.560 115.130 115.700 -0.017 0.000 2.374 1645 S HA -0.250 4.232 4.470 0.020 0.000 0.227 1645 S C 2.171 176.750 174.600 -0.034 0.000 1.037 1645 S CA 1.835 60.018 58.200 -0.029 0.000 1.024 1645 S CB -0.349 62.830 63.200 -0.034 0.000 0.861 1645 S HN 0.629 nan 8.310 nan 0.000 0.456 1646 R N 0.414 120.904 120.500 -0.016 0.000 2.073 1646 R HA 0.136 4.488 4.340 0.020 0.000 0.229 1646 R C 2.740 178.963 176.300 -0.127 0.000 1.120 1646 R CA 1.144 57.226 56.100 -0.030 0.000 0.967 1646 R CB -0.573 29.754 30.300 0.045 0.000 0.862 1646 R HN 0.506 nan 8.270 nan 0.000 0.436 1647 A N 0.742 123.465 122.820 -0.161 0.000 1.933 1647 A HA -0.235 4.097 4.320 0.020 0.000 0.218 1647 A C 2.085 179.537 177.584 -0.219 0.000 1.175 1647 A CA 1.368 53.182 52.037 -0.371 0.000 0.628 1647 A CB -0.357 18.456 19.000 -0.313 0.000 0.814 1647 A HN 0.193 nan 8.150 nan 0.000 0.444 1648 Q N -0.252 119.476 119.800 -0.120 0.000 2.079 1648 Q HA -0.009 4.343 4.340 0.020 0.000 0.200 1648 Q C 1.987 177.940 176.000 -0.078 0.000 0.974 1648 Q CA 1.944 57.697 55.803 -0.082 0.000 0.840 1648 Q CB -0.868 27.840 28.738 -0.051 0.000 0.898 1648 Q HN 0.519 nan 8.270 nan 0.000 0.430 1649 G N 0.138 108.892 108.800 -0.078 0.000 2.418 1649 G HA2 -0.223 3.748 3.960 0.020 0.000 0.217 1649 G HA3 -0.223 3.748 3.960 0.020 0.000 0.217 1649 G C 1.328 176.185 174.900 -0.071 0.000 1.158 1649 G CA 0.829 45.891 45.100 -0.063 0.000 0.771 1649 G HN 0.374 nan 8.290 nan 0.000 0.545 1650 L N -0.409 120.742 121.223 -0.119 0.000 2.093 1650 L HA 0.029 4.380 4.340 0.020 0.000 0.208 1650 L C 2.638 179.457 176.870 -0.085 0.000 1.085 1650 L CA 0.399 55.157 54.840 -0.136 0.000 0.755 1650 L CB -0.232 41.648 42.059 -0.298 0.000 0.904 1650 L HN 0.265 nan 8.230 nan 0.000 0.435 1651 L N -0.432 120.728 121.223 -0.104 0.000 1.988 1651 L HA -0.178 4.174 4.340 0.020 0.000 0.207 1651 L C 2.788 179.641 176.870 -0.027 0.000 1.071 1651 L CA 2.197 57.003 54.840 -0.058 0.000 0.744 1651 L CB -0.696 41.322 42.059 -0.069 0.000 0.893 1651 L HN 0.330 nan 8.230 nan 0.000 0.433 1652 S N -0.216 115.464 115.700 -0.033 0.000 2.440 1652 S HA -0.118 4.364 4.470 0.020 0.000 0.238 1652 S C 1.943 176.536 174.600 -0.013 0.000 1.010 1652 S CA 0.802 58.990 58.200 -0.021 0.000 0.972 1652 S CB -0.962 62.224 63.200 -0.024 0.000 0.774 1652 S HN 0.527 nan 8.310 nan 0.000 0.501 1653 A N 0.932 123.747 122.820 -0.009 0.000 2.235 1653 A HA 0.494 4.826 4.320 0.020 0.000 0.208 1653 A C 1.639 179.229 177.584 0.009 0.000 1.172 1653 A CA 0.549 52.587 52.037 0.002 0.000 0.786 1653 A CB -1.410 17.596 19.000 0.009 0.000 0.804 1653 A HN 1.656 nan 8.150 nan 0.000 0.479 1654 G N -0.276 108.531 108.800 0.012 0.000 2.324 1654 G HA2 -0.272 3.699 3.960 0.020 0.000 0.292 1654 G HA3 -0.272 3.699 3.960 0.020 0.000 0.292 1654 G C -0.014 174.896 174.900 0.017 0.000 1.079 1654 G CA 0.353 45.458 45.100 0.009 0.000 1.026 1654 G HN 0.858 nan 8.290 nan 0.000 0.506 1655 H N 0.548 119.594 119.070 -0.041 0.000 2.707 1655 H HA 0.177 4.745 4.556 0.020 0.000 0.359 1655 H C -0.625 174.690 175.328 -0.023 0.000 1.113 1655 H CA -0.547 55.479 56.048 -0.037 0.000 1.422 1655 H CB 1.096 30.821 29.762 -0.063 0.000 1.443 1655 H HN 0.105 nan 8.280 nan 0.000 0.591 1656 P HA -0.138 nan 4.420 nan 0.000 0.216 1656 P C 0.304 177.666 177.300 0.103 0.000 1.150 1656 P CA 1.475 64.517 63.100 -0.097 0.000 0.843 1656 P CB 0.288 31.869 31.700 -0.197 0.000 0.787 1657 E N -1.590 118.826 120.200 0.360 0.000 2.451 1657 E HA 0.165 4.527 4.350 0.020 0.000 0.194 1657 E C 1.877 178.567 176.600 0.149 0.000 1.027 1657 E CA -0.003 56.555 56.400 0.263 0.000 0.914 1657 E CB -0.722 29.167 29.700 0.315 0.000 1.054 1657 E HN 0.132 nan 8.360 nan 0.000 0.461 1658 G N 1.434 110.309 108.800 0.125 0.000 2.503 1658 G HA2 -0.319 3.652 3.960 0.020 0.000 0.221 1658 G HA3 -0.319 3.652 3.960 0.020 0.000 0.221 1658 G C 1.394 176.290 174.900 -0.007 0.000 1.131 1658 G CA 0.750 45.860 45.100 0.017 0.000 0.756 1658 G HN 0.183 nan 8.290 nan 0.000 0.572 1659 E N 0.433 120.647 120.200 0.023 0.000 2.072 1659 E HA -0.086 4.276 4.350 0.020 0.000 0.190 1659 E C 2.663 179.283 176.600 0.033 0.000 0.982 1659 E CA 0.817 57.230 56.400 0.020 0.000 0.803 1659 E CB -0.470 29.246 29.700 0.027 0.000 0.755 1659 E HN 0.598 nan 8.360 nan 0.000 0.453 1660 Q N 0.360 120.199 119.800 0.064 0.000 2.061 1660 Q HA -0.107 4.245 4.340 0.020 0.000 0.204 1660 Q C 2.421 178.488 176.000 0.110 0.000 0.984 1660 Q CA 1.179 57.044 55.803 0.104 0.000 0.846 1660 Q CB -0.180 28.655 28.738 0.162 0.000 0.902 1660 Q HN 0.278 nan 8.270 nan 0.000 0.421 1661 I N -0.050 120.541 120.570 0.034 0.000 2.179 1661 I HA -0.270 3.912 4.170 0.020 0.000 0.242 1661 I C 2.215 178.257 176.117 -0.125 0.000 1.088 1661 I CA 0.763 61.986 61.300 -0.129 0.000 1.357 1661 I CB -0.151 37.579 38.000 -0.451 0.000 1.051 1661 I HN 0.226 nan 8.210 nan 0.000 0.409 1662 I N 0.667 121.181 120.570 -0.093 0.000 2.493 1662 I HA -0.223 3.959 4.170 0.020 0.000 0.254 1662 I C 2.561 178.680 176.117 0.003 0.000 1.160 1662 I CA 1.447 62.713 61.300 -0.056 0.000 1.445 1662 I CB -0.435 37.534 38.000 -0.052 0.000 1.086 1662 I HN 0.050 nan 8.210 nan 0.000 0.433 1663 R N -0.335 120.181 120.500 0.027 0.000 2.062 1663 R HA -0.086 4.266 4.340 0.020 0.000 0.231 1663 R C 2.281 178.623 176.300 0.070 0.000 1.136 1663 R CA 1.499 57.625 56.100 0.043 0.000 0.948 1663 R CB -0.466 29.864 30.300 0.050 0.000 0.845 1663 R HN 0.324 nan 8.270 nan 0.000 0.430 1664 L N 0.578 121.877 121.223 0.127 0.000 2.043 1664 L HA -0.266 4.086 4.340 0.020 0.000 0.212 1664 L C 2.661 179.627 176.870 0.160 0.000 1.075 1664 L CA 1.382 56.329 54.840 0.179 0.000 0.752 1664 L CB -0.472 41.781 42.059 0.322 0.000 0.891 1664 L HN 0.228 nan 8.230 nan 0.000 0.432 1665 Q N 0.363 120.267 119.800 0.175 0.000 2.084 1665 Q HA -0.134 4.217 4.340 0.020 0.000 0.202 1665 Q C 2.092 178.130 176.000 0.063 0.000 0.978 1665 Q CA 1.955 57.847 55.803 0.148 0.000 0.844 1665 Q CB -0.565 28.245 28.738 0.120 0.000 0.898 1665 Q HN 0.414 nan 8.270 nan 0.000 0.426 1666 G N -0.182 108.638 108.800 0.034 0.000 2.418 1666 G HA2 -0.304 3.668 3.960 0.020 0.000 0.217 1666 G HA3 -0.304 3.668 3.960 0.020 0.000 0.217 1666 G C 1.330 176.201 174.900 -0.049 0.000 1.158 1666 G CA 0.761 45.862 45.100 0.001 0.000 0.771 1666 G HN 0.430 nan 8.290 nan 0.000 0.545 1667 Q N -0.422 119.336 119.800 -0.071 0.000 2.084 1667 Q HA -0.072 4.280 4.340 0.020 0.000 0.202 1667 Q C 2.881 178.689 176.000 -0.321 0.000 0.978 1667 Q CA 1.419 57.079 55.803 -0.240 0.000 0.844 1667 Q CB -0.168 28.504 28.738 -0.110 0.000 0.898 1667 Q HN 0.388 nan 8.270 nan 0.000 0.426 1668 V N 1.186 121.072 119.914 -0.047 0.000 2.261 1668 V HA -0.268 3.864 4.120 0.020 0.000 0.246 1668 V C 1.627 177.776 176.094 0.092 0.000 1.047 1668 V CA 1.958 64.299 62.300 0.067 0.000 1.015 1668 V CB -0.551 31.333 31.823 0.101 0.000 0.642 1668 V HN 0.360 nan 8.190 nan 0.000 0.446 1669 D N -0.057 120.383 120.400 0.066 0.000 2.116 1669 D HA -0.225 4.427 4.640 0.020 0.000 0.193 1669 D C 2.144 178.512 176.300 0.112 0.000 0.998 1669 D CA 1.698 55.764 54.000 0.109 0.000 0.836 1669 D CB -0.228 40.610 40.800 0.064 0.000 0.951 1669 D HN 0.424 nan 8.370 nan 0.000 0.449 1670 K N -0.038 120.360 120.400 -0.004 0.000 2.002 1670 K HA -0.164 4.167 4.320 0.020 0.000 0.209 1670 K C 2.105 178.745 176.600 0.068 0.000 1.048 1670 K CA 1.291 57.565 56.287 -0.021 0.000 0.930 1670 K CB -0.171 32.251 32.500 -0.130 0.000 0.714 1670 K HN 0.341 nan 8.250 nan 0.000 0.438 1671 H N -1.791 117.348 119.070 0.115 0.000 2.387 1671 H HA -0.180 4.388 4.556 0.019 0.000 0.299 1671 H C 1.970 177.386 175.328 0.146 0.000 1.090 1671 H CA 1.508 57.621 56.048 0.108 0.000 1.332 1671 H CB -0.114 29.712 29.762 0.108 0.000 1.386 1671 H HN 0.292 nan 8.280 nan 0.000 0.516 1672 Y N 1.380 121.794 120.300 0.190 0.000 2.181 1672 Y HA -0.197 4.365 4.550 0.020 0.000 0.288 1672 Y C 2.532 178.506 175.900 0.123 0.000 1.146 1672 Y CA 0.956 59.157 58.100 0.167 0.000 1.164 1672 Y CB -0.517 38.041 38.460 0.163 0.000 0.982 1672 Y HN 0.171 nan 8.280 nan 0.000 0.515 1673 A N 0.002 122.850 122.820 0.047 0.000 1.902 1673 A HA -0.077 4.254 4.320 0.020 0.000 0.217 1673 A C 2.509 180.053 177.584 -0.068 0.000 1.181 1673 A CA 1.624 53.631 52.037 -0.050 0.000 0.623 1673 A CB -1.671 17.352 19.000 0.037 0.000 0.818 1673 A HN 0.573 nan 8.150 nan 0.000 0.443 1674 G N -0.134 108.667 108.800 0.002 0.000 2.442 1674 G HA2 -0.180 3.792 3.960 0.020 0.000 0.219 1674 G HA3 -0.180 3.792 3.960 0.020 0.000 0.219 1674 G C 1.496 176.369 174.900 -0.046 0.000 1.141 1674 G CA 1.270 46.371 45.100 0.001 0.000 0.763 1674 G HN 0.551 nan 8.290 nan 0.000 0.554 1675 L N 0.213 121.392 121.223 -0.073 0.000 2.109 1675 L HA 0.181 4.532 4.340 0.020 0.000 0.207 1675 L C 2.621 179.406 176.870 -0.142 0.000 1.086 1675 L CA 1.802 56.582 54.840 -0.100 0.000 0.760 1675 L CB -0.321 41.697 42.059 -0.068 0.000 0.910 1675 L HN 0.093 nan 8.230 nan 0.000 0.437 1676 K N -0.452 119.799 120.400 -0.248 0.000 2.097 1676 K HA -0.139 4.193 4.320 0.020 0.000 0.205 1676 K C 1.692 178.237 176.600 -0.091 0.000 1.050 1676 K CA 1.415 57.580 56.287 -0.203 0.000 0.938 1676 K CB -0.173 32.158 32.500 -0.282 0.000 0.718 1676 K HN 0.391 nan 8.250 nan 0.000 0.442 1677 D N 0.391 120.745 120.400 -0.078 0.000 2.097 1677 D HA -0.122 4.530 4.640 0.020 0.000 0.197 1677 D C 1.974 178.257 176.300 -0.028 0.000 0.984 1677 D CA 0.936 54.911 54.000 -0.041 0.000 0.826 1677 D CB -0.265 40.515 40.800 -0.033 0.000 0.973 1677 D HN -0.090 nan 8.370 nan 0.000 0.460 1678 V N 1.519 121.412 119.914 -0.036 0.000 2.407 1678 V HA -0.236 3.895 4.120 0.020 0.000 0.248 1678 V C 2.504 178.599 176.094 0.002 0.000 1.055 1678 V CA 1.805 64.087 62.300 -0.030 0.000 1.049 1678 V CB -0.753 31.043 31.823 -0.045 0.000 0.662 1678 V HN 0.176 nan 8.190 nan 0.000 0.455 1679 A N -0.091 122.743 122.820 0.024 0.000 1.873 1679 A HA -0.240 4.092 4.320 0.020 0.000 0.215 1679 A C 2.201 179.889 177.584 0.173 0.000 1.186 1679 A CA 1.961 54.075 52.037 0.128 0.000 0.616 1679 A CB -0.502 18.533 19.000 0.058 0.000 0.823 1679 A HN 0.541 nan 8.150 nan 0.000 0.442 1680 E N 0.009 120.252 120.200 0.071 0.000 2.077 1680 E HA -0.212 4.150 4.350 0.020 0.000 0.193 1680 E C 1.902 178.519 176.600 0.029 0.000 0.989 1680 E CA 1.691 58.124 56.400 0.056 0.000 0.800 1680 E CB -0.215 29.497 29.700 0.019 0.000 0.746 1680 E HN 0.538 nan 8.360 nan 0.000 0.452 1681 E N 0.245 120.444 120.200 -0.002 0.000 2.038 1681 E HA -0.223 4.139 4.350 0.020 0.000 0.195 1681 E C 2.061 178.623 176.600 -0.064 0.000 1.000 1681 E CA 1.704 58.084 56.400 -0.033 0.000 0.803 1681 E CB -0.307 29.369 29.700 -0.040 0.000 0.750 1681 E HN 0.113 nan 8.360 nan 0.000 0.448 1682 R N 1.099 121.542 120.500 -0.094 0.000 2.083 1682 R HA -0.119 4.233 4.340 0.020 0.000 0.237 1682 R C 2.252 178.380 176.300 -0.286 0.000 1.137 1682 R CA 2.246 58.197 56.100 -0.248 0.000 0.951 1682 R CB -0.513 29.535 30.300 -0.420 0.000 0.851 1682 R HN 0.158 nan 8.270 nan 0.000 0.434 1683 K N 0.050 120.382 120.400 -0.114 0.000 2.032 1683 K HA -0.205 4.127 4.320 0.020 0.000 0.209 1683 K C 2.268 178.863 176.600 -0.009 0.000 1.048 1683 K CA 1.793 58.100 56.287 0.034 0.000 0.927 1683 K CB -0.235 32.378 32.500 0.188 0.000 0.712 1683 K HN 0.185 nan 8.250 nan 0.000 0.441 1684 R N 1.013 121.501 120.500 -0.019 0.000 2.083 1684 R HA -0.167 4.185 4.340 0.020 0.000 0.237 1684 R C 2.181 178.438 176.300 -0.073 0.000 1.137 1684 R CA 1.899 57.978 56.100 -0.035 0.000 0.951 1684 R CB -0.061 30.215 30.300 -0.039 0.000 0.851 1684 R HN 0.122 nan 8.270 nan 0.000 0.434 1685 K N 0.231 120.575 120.400 -0.092 0.000 2.009 1685 K HA -0.139 4.193 4.320 0.020 0.000 0.210 1685 K C 2.210 178.762 176.600 -0.081 0.000 1.049 1685 K CA 1.683 57.909 56.287 -0.101 0.000 0.929 1685 K CB -0.170 32.270 32.500 -0.099 0.000 0.714 1685 K HN 0.182 nan 8.250 nan 0.000 0.440 1686 L N 0.872 122.047 121.223 -0.080 0.000 2.017 1686 L HA -0.228 4.124 4.340 0.020 0.000 0.208 1686 L C 2.293 179.170 176.870 0.011 0.000 1.073 1686 L CA 1.431 56.252 54.840 -0.032 0.000 0.745 1686 L CB -0.383 41.637 42.059 -0.064 0.000 0.894 1686 L HN 0.261 nan 8.230 nan 0.000 0.432 1687 E N 0.116 120.309 120.200 -0.010 0.000 2.070 1687 E HA -0.253 4.109 4.350 0.020 0.000 0.197 1687 E C 1.927 178.521 176.600 -0.010 0.000 1.004 1687 E CA 1.686 58.069 56.400 -0.029 0.000 0.805 1687 E CB -0.238 29.484 29.700 0.035 0.000 0.744 1687 E HN 0.560 nan 8.360 nan 0.000 0.451 1688 N N 0.155 118.828 118.700 -0.045 0.000 2.069 1688 N HA -0.177 4.575 4.740 0.020 0.000 0.191 1688 N C 1.948 177.457 175.510 -0.003 0.000 1.031 1688 N CA 1.351 54.314 53.050 -0.144 0.000 0.852 1688 N CB -0.119 38.093 38.487 -0.459 0.000 1.018 1688 N HN 0.128 nan 8.380 nan 0.000 0.423 1689 M N -0.401 119.171 119.600 -0.046 0.000 2.229 1689 M HA -0.168 4.324 4.480 0.020 0.000 0.264 1689 M C 2.056 178.305 176.300 -0.084 0.000 1.063 1689 M CA 1.209 56.422 55.300 -0.145 0.000 1.114 1689 M CB -0.381 32.196 32.600 -0.039 0.000 1.387 1689 M HN 0.263 nan 8.290 nan 0.000 0.420 1690 Y N 0.950 121.262 120.300 0.019 0.000 2.089 1690 Y HA -0.262 4.300 4.550 0.021 0.000 0.282 1690 Y C 2.535 178.546 175.900 0.185 0.000 1.139 1690 Y CA 1.776 59.967 58.100 0.150 0.000 1.123 1690 Y CB -0.855 37.588 38.460 -0.029 0.000 0.980 1690 Y HN 0.202 nan 8.280 nan 0.000 0.493 1691 H N -0.190 118.795 119.070 -0.142 0.000 2.353 1691 H HA -0.180 4.387 4.556 0.018 0.000 0.298 1691 H C 2.306 177.607 175.328 -0.045 0.000 1.103 1691 H CA 1.834 57.790 56.048 -0.154 0.000 1.293 1691 H CB -0.803 28.979 29.762 0.033 0.000 1.372 1691 H HN 0.439 nan 8.280 nan 0.000 0.501 1692 L N 0.061 121.347 121.223 0.106 0.000 2.083 1692 L HA -0.129 4.223 4.340 0.020 0.000 0.209 1692 L C 1.980 178.897 176.870 0.078 0.000 1.083 1692 L CA 1.215 56.065 54.840 0.017 0.000 0.752 1692 L CB -0.644 41.365 42.059 -0.083 0.000 0.899 1692 L HN -0.040 nan 8.230 nan 0.000 0.433 1693 F N -0.282 119.748 119.950 0.132 0.000 2.171 1693 F HA -0.202 4.338 4.527 0.021 0.000 0.300 1693 F C 2.702 178.544 175.800 0.069 0.000 1.090 1693 F CA 1.626 59.690 58.000 0.107 0.000 1.293 1693 F CB -0.891 38.174 39.000 0.109 0.000 1.013 1693 F HN 0.242 nan 8.300 nan 0.000 0.486 1694 Q N -0.042 119.878 119.800 0.200 0.000 2.016 1694 Q HA -0.204 4.148 4.340 0.020 0.000 0.200 1694 Q C 2.287 178.399 176.000 0.187 0.000 0.978 1694 Q CA 1.473 57.345 55.803 0.116 0.000 0.833 1694 Q CB -0.413 28.325 28.738 0.000 0.000 0.895 1694 Q HN 0.375 nan 8.270 nan 0.000 0.427 1695 L N 1.370 122.791 121.223 0.330 0.000 2.012 1695 L HA -0.220 4.131 4.340 0.020 0.000 0.210 1695 L C 2.270 179.261 176.870 0.202 0.000 1.073 1695 L CA 2.010 57.075 54.840 0.374 0.000 0.748 1695 L CB -0.513 41.751 42.059 0.340 0.000 0.891 1695 L HN 0.105 nan 8.230 nan 0.000 0.431 1696 K N -0.720 119.790 120.400 0.183 0.000 2.103 1696 K HA -0.256 4.075 4.320 0.020 0.000 0.207 1696 K C 2.449 178.996 176.600 -0.087 0.000 1.048 1696 K CA 1.694 57.920 56.287 -0.102 0.000 0.930 1696 K CB -0.191 32.309 32.500 -0.001 0.000 0.716 1696 K HN 0.350 nan 8.250 nan 0.000 0.444 1697 R N 0.812 121.328 120.500 0.026 0.000 2.075 1697 R HA -0.122 4.230 4.340 0.020 0.000 0.232 1697 R C 1.731 178.017 176.300 -0.023 0.000 1.126 1697 R CA 1.708 57.812 56.100 0.006 0.000 0.963 1697 R CB -0.015 30.306 30.300 0.036 0.000 0.858 1697 R HN 0.271 nan 8.270 nan 0.000 0.435 1698 E N -0.755 119.439 120.200 -0.010 0.000 2.152 1698 E HA -0.101 4.261 4.350 0.020 0.000 0.192 1698 E C 1.732 178.303 176.600 -0.049 0.000 0.983 1698 E CA 1.513 57.891 56.400 -0.037 0.000 0.818 1698 E CB 0.148 29.822 29.700 -0.042 0.000 0.758 1698 E HN 0.361 nan 8.360 nan 0.000 0.467 1699 T N 1.065 115.587 114.554 -0.053 0.000 2.770 1699 T HA -0.119 4.242 4.350 0.020 0.000 0.263 1699 T C 1.242 175.879 174.700 -0.106 0.000 1.039 1699 T CA 1.187 63.233 62.100 -0.089 0.000 1.142 1699 T CB -0.219 68.555 68.868 -0.156 0.000 0.868 1699 T HN 0.087 nan 8.240 nan 0.000 0.435 1700 D N 1.432 121.752 120.400 -0.133 0.000 2.104 1700 D HA -0.107 4.545 4.640 0.020 0.000 0.194 1700 D C 1.955 178.237 176.300 -0.030 0.000 0.994 1700 D CA 1.059 55.001 54.000 -0.096 0.000 0.830 1700 D CB -0.412 40.330 40.800 -0.097 0.000 0.959 1700 D HN 0.318 nan 8.370 nan 0.000 0.452 1701 D N 0.090 120.476 120.400 -0.024 0.000 2.117 1701 D HA -0.123 4.528 4.640 0.020 0.000 0.197 1701 D C 2.159 178.487 176.300 0.048 0.000 0.987 1701 D CA 0.301 54.306 54.000 0.009 0.000 0.829 1701 D CB -0.313 40.475 40.800 -0.021 0.000 0.961 1701 D HN 0.129 nan 8.370 nan 0.000 0.460 1702 L N 1.410 122.633 121.223 -0.000 0.000 2.027 1702 L HA -0.126 4.226 4.340 0.020 0.000 0.206 1702 L C 1.939 178.897 176.870 0.146 0.000 1.074 1702 L CA 1.716 56.571 54.840 0.026 0.000 0.745 1702 L CB -0.533 41.483 42.059 -0.071 0.000 0.898 1702 L HN -0.027 nan 8.230 nan 0.000 0.433 1703 E N -1.117 119.131 120.200 0.080 0.000 2.110 1703 E HA -0.276 4.086 4.350 0.020 0.000 0.193 1703 E C 2.104 178.778 176.600 0.123 0.000 0.988 1703 E CA 1.147 57.605 56.400 0.096 0.000 0.804 1703 E CB -0.169 29.548 29.700 0.029 0.000 0.745 1703 E HN 0.603 nan 8.360 nan 0.000 0.458 1704 Q N -0.117 119.750 119.800 0.113 0.000 2.079 1704 Q HA -0.190 4.162 4.340 0.020 0.000 0.200 1704 Q C 1.884 177.985 176.000 0.169 0.000 0.974 1704 Q CA 1.318 57.188 55.803 0.111 0.000 0.840 1704 Q CB -0.162 28.628 28.738 0.087 0.000 0.898 1704 Q HN 0.389 nan 8.270 nan 0.000 0.430 1705 W N 1.008 122.322 121.300 0.023 0.000 2.338 1705 W HA -0.194 4.476 4.660 0.017 0.000 0.304 1705 W C 1.687 178.254 176.519 0.080 0.000 1.212 1705 W CA 1.528 58.897 57.345 0.040 0.000 1.264 1705 W CB -0.245 29.223 29.460 0.013 0.000 1.142 1705 W HN 0.098 nan 8.180 nan 0.000 0.512 1706 I N -0.223 120.539 120.570 0.321 0.000 2.142 1706 I HA -0.372 3.810 4.170 0.020 0.000 0.240 1706 I C 2.638 178.791 176.117 0.060 0.000 1.078 1706 I CA 1.732 63.156 61.300 0.206 0.000 1.343 1706 I CB -1.100 37.100 38.000 0.334 0.000 1.046 1706 I HN -0.186 nan 8.210 nan 0.000 0.405 1707 S N 0.198 115.942 115.700 0.073 0.000 2.389 1707 S HA -0.284 4.197 4.470 0.020 0.000 0.231 1707 S C 1.888 176.484 174.600 -0.007 0.000 1.052 1707 S CA 1.794 60.015 58.200 0.035 0.000 1.053 1707 S CB -0.358 62.865 63.200 0.037 0.000 0.886 1707 S HN 0.463 nan 8.310 nan 0.000 0.456 1708 E N 0.340 120.512 120.200 -0.046 0.000 2.072 1708 E HA -0.086 4.276 4.350 0.020 0.000 0.191 1708 E C 2.180 178.718 176.600 -0.104 0.000 0.985 1708 E CA 0.743 57.093 56.400 -0.083 0.000 0.801 1708 E CB 0.018 29.652 29.700 -0.111 0.000 0.750 1708 E HN 0.162 nan 8.360 nan 0.000 0.452 1709 K N 1.119 121.406 120.400 -0.190 0.000 2.103 1709 K HA -0.160 4.172 4.320 0.020 0.000 0.207 1709 K C 1.873 178.522 176.600 0.081 0.000 1.048 1709 K CA 1.164 57.424 56.287 -0.045 0.000 0.930 1709 K CB -0.280 32.069 32.500 -0.252 0.000 0.716 1709 K HN 0.267 nan 8.250 nan 0.000 0.444 1710 E N 0.671 120.887 120.200 0.027 0.000 2.118 1710 E HA -0.133 4.228 4.350 0.020 0.000 0.195 1710 E C 2.138 178.744 176.600 0.010 0.000 0.992 1710 E CA 0.771 57.193 56.400 0.037 0.000 0.804 1710 E CB -0.154 29.563 29.700 0.027 0.000 0.741 1710 E HN 0.198 nan 8.360 nan 0.000 0.458 1711 L N 0.505 121.720 121.223 -0.014 0.000 2.046 1711 L HA -0.185 4.167 4.340 0.020 0.000 0.208 1711 L C 2.513 179.343 176.870 -0.067 0.000 1.077 1711 L CA 0.821 55.640 54.840 -0.035 0.000 0.747 1711 L CB -0.494 41.543 42.059 -0.037 0.000 0.896 1711 L HN 0.066 nan 8.230 nan 0.000 0.432 1712 V N 0.247 120.098 119.914 -0.106 0.000 2.343 1712 V HA -0.289 3.843 4.120 0.020 0.000 0.247 1712 V C 2.734 178.727 176.094 -0.169 0.000 1.051 1712 V CA 1.789 63.949 62.300 -0.235 0.000 1.036 1712 V CB -0.864 30.637 31.823 -0.537 0.000 0.654 1712 V HN 0.494 nan 8.190 nan 0.000 0.451 1713 A N 0.280 123.086 122.820 -0.023 0.000 2.019 1713 A HA -0.168 4.163 4.320 0.020 0.000 0.219 1713 A C 2.427 179.991 177.584 -0.035 0.000 1.164 1713 A CA 1.915 54.013 52.037 0.102 0.000 0.644 1713 A CB -0.511 18.612 19.000 0.204 0.000 0.805 1713 A HN 0.677 nan 8.150 nan 0.000 0.449 1714 S N -0.869 114.802 115.700 -0.049 0.000 2.558 1714 S HA 0.112 4.594 4.470 0.020 0.000 0.217 1714 S C 0.936 175.485 174.600 -0.086 0.000 0.975 1714 S CA 0.617 58.780 58.200 -0.062 0.000 0.912 1714 S CB -0.669 62.507 63.200 -0.040 0.000 0.776 1714 S HN 0.396 nan 8.310 nan 0.000 0.526 1715 S N 3.414 119.049 115.700 -0.109 0.000 2.573 1715 S HA 0.125 4.606 4.470 0.020 0.000 0.297 1715 S C -0.998 173.538 174.600 -0.106 0.000 1.280 1715 S CA -0.582 57.555 58.200 -0.105 0.000 1.061 1715 S CB 0.787 63.915 63.200 -0.120 0.000 0.812 1715 S HN 0.442 nan 8.310 nan 0.000 0.500 1716 P HA 0.069 nan 4.420 nan 0.000 0.234 1716 P C 0.008 177.277 177.300 -0.052 0.000 1.175 1716 P CA 0.071 63.133 63.100 -0.062 0.000 0.801 1716 P CB -0.156 31.518 31.700 -0.042 0.000 0.891 1717 E N 0.524 120.695 120.200 -0.050 0.000 3.025 1717 E HA -0.108 4.254 4.350 0.020 0.000 0.248 1717 E C 0.858 177.449 176.600 -0.015 0.000 0.938 1717 E CA 0.249 56.632 56.400 -0.029 0.000 0.958 1717 E CB 0.193 29.877 29.700 -0.028 0.000 0.898 1717 E HN -0.049 nan 8.360 nan 0.000 0.537 1718 M N 2.821 122.430 119.600 0.016 0.000 2.514 1718 M HA 0.193 4.684 4.480 0.020 0.000 0.258 1718 M C 0.741 177.106 176.300 0.107 0.000 1.159 1718 M CA 1.099 56.435 55.300 0.061 0.000 1.116 1718 M CB -0.170 32.477 32.600 0.078 0.000 1.333 1718 M HN 0.674 nan 8.290 nan 0.000 0.487 1719 G N 1.970 110.808 108.800 0.064 0.000 2.879 1719 G HA2 -0.188 3.784 3.960 0.020 0.000 0.686 1719 G HA3 -0.188 3.784 3.960 0.020 0.000 0.686 1719 G C 0.258 175.160 174.900 0.003 0.000 1.115 1719 G CA 0.087 45.210 45.100 0.038 0.000 0.770 1719 G HN 0.529 nan 8.290 nan 0.000 0.601 1720 Q N 0.660 120.376 119.800 -0.141 0.000 2.049 1720 Q HA 0.122 4.474 4.340 0.020 0.000 0.198 1720 Q C 1.004 176.897 176.000 -0.178 0.000 0.971 1720 Q CA 1.647 57.359 55.803 -0.152 0.000 0.833 1720 Q CB 0.045 28.630 28.738 -0.256 0.000 0.896 1720 Q HN 0.851 nan 8.270 nan 0.000 0.434 1721 D N -1.566 118.686 120.400 -0.247 0.000 2.689 1721 D HA 0.083 4.735 4.640 0.020 0.000 0.255 1721 D C 0.111 176.178 176.300 -0.388 0.000 1.113 1721 D CA -0.948 52.911 54.000 -0.235 0.000 1.115 1721 D CB -0.125 40.687 40.800 0.019 0.000 1.334 1721 D HN -0.042 nan 8.370 nan 0.000 0.621 1722 F N 0.381 120.166 119.950 -0.276 0.000 2.206 1722 F HA 0.000 4.539 4.527 0.019 0.000 0.298 1722 F C 1.491 177.219 175.800 -0.121 0.000 1.090 1722 F CA 1.272 59.160 58.000 -0.188 0.000 1.323 1722 F CB -0.256 38.679 39.000 -0.108 0.000 1.028 1722 F HN 0.203 nan 8.300 nan 0.000 0.492 1723 D N -0.933 119.360 120.400 -0.179 0.000 2.144 1723 D HA -0.149 4.503 4.640 0.020 0.000 0.200 1723 D C 2.052 178.217 176.300 -0.225 0.000 0.978 1723 D CA 1.354 55.187 54.000 -0.278 0.000 0.833 1723 D CB -0.308 40.381 40.800 -0.185 0.000 0.961 1723 D HN 0.393 nan 8.370 nan 0.000 0.470 1724 H N -0.200 118.779 119.070 -0.152 0.000 2.326 1724 H HA -0.036 4.532 4.556 0.019 0.000 0.301 1724 H C 2.139 177.419 175.328 -0.081 0.000 1.081 1724 H CA 0.992 56.978 56.048 -0.104 0.000 1.334 1724 H CB -0.245 29.462 29.762 -0.091 0.000 1.385 1724 H HN -0.086 nan 8.280 nan 0.000 0.504 1725 V N 0.168 120.103 119.914 0.035 0.000 2.407 1725 V HA -0.263 3.869 4.120 0.020 0.000 0.248 1725 V C 1.915 178.071 176.094 0.103 0.000 1.055 1725 V CA 2.465 64.827 62.300 0.103 0.000 1.049 1725 V CB -0.556 31.404 31.823 0.230 0.000 0.662 1725 V HN 0.587 nan 8.190 nan 0.000 0.455 1726 T N 0.900 115.439 114.554 -0.026 0.000 2.684 1726 T HA -0.186 4.176 4.350 0.020 0.000 0.267 1726 T C 1.877 176.547 174.700 -0.050 0.000 1.036 1726 T CA 1.770 63.848 62.100 -0.037 0.000 1.148 1726 T CB -0.375 68.332 68.868 -0.268 0.000 0.863 1726 T HN 0.262 nan 8.240 nan 0.000 0.436 1727 L N 0.785 121.961 121.223 -0.078 0.000 1.970 1727 L HA -0.049 4.302 4.340 0.020 0.000 0.212 1727 L C 2.481 179.350 176.870 -0.003 0.000 1.071 1727 L CA 1.783 56.586 54.840 -0.061 0.000 0.751 1727 L CB -1.251 40.747 42.059 -0.103 0.000 0.889 1727 L HN 0.337 nan 8.230 nan 0.000 0.432 1728 L N -0.701 120.538 121.223 0.027 0.000 2.012 1728 L HA -0.261 4.091 4.340 0.020 0.000 0.210 1728 L C 2.845 179.769 176.870 0.089 0.000 1.073 1728 L CA 1.405 56.280 54.840 0.058 0.000 0.748 1728 L CB -0.668 41.425 42.059 0.056 0.000 0.891 1728 L HN 0.340 nan 8.230 nan 0.000 0.431 1729 R N 0.378 120.922 120.500 0.073 0.000 2.091 1729 R HA -0.190 4.161 4.340 0.020 0.000 0.238 1729 R C 1.677 178.013 176.300 0.060 0.000 1.136 1729 R CA 2.144 58.284 56.100 0.067 0.000 0.959 1729 R CB -0.419 29.879 30.300 -0.002 0.000 0.856 1729 R HN 0.375 nan 8.270 nan 0.000 0.437 1730 D N 0.409 120.816 120.400 0.010 0.000 2.149 1730 D HA -0.083 4.569 4.640 0.020 0.000 0.201 1730 D C 1.871 178.193 176.300 0.036 0.000 0.972 1730 D CA 1.002 55.001 54.000 -0.001 0.000 0.835 1730 D CB -0.014 40.765 40.800 -0.035 0.000 0.966 1730 D HN 0.280 nan 8.370 nan 0.000 0.476 1731 K N -0.193 120.243 120.400 0.059 0.000 2.025 1731 K HA -0.103 4.228 4.320 0.020 0.000 0.207 1731 K C 2.021 178.700 176.600 0.132 0.000 1.049 1731 K CA 0.585 56.918 56.287 0.077 0.000 0.933 1731 K CB -0.246 32.294 32.500 0.067 0.000 0.714 1731 K HN 0.070 nan 8.250 nan 0.000 0.438 1732 F N 1.971 121.943 119.950 0.036 0.000 2.234 1732 F HA -0.116 4.422 4.527 0.019 0.000 0.299 1732 F C 2.395 178.276 175.800 0.136 0.000 1.087 1732 F CA 1.188 59.236 58.000 0.080 0.000 1.340 1732 F CB 0.027 39.041 39.000 0.024 0.000 1.031 1732 F HN -0.114 nan 8.300 nan 0.000 0.500 1733 R N 0.284 120.833 120.500 0.082 0.000 2.075 1733 R HA -0.155 4.196 4.340 0.020 0.000 0.232 1733 R C 1.878 178.139 176.300 -0.066 0.000 1.126 1733 R CA 1.923 58.021 56.100 -0.004 0.000 0.963 1733 R CB -0.448 29.865 30.300 0.021 0.000 0.858 1733 R HN 0.219 nan 8.270 nan 0.000 0.435 1734 D N -0.085 120.301 120.400 -0.023 0.000 2.117 1734 D HA -0.202 4.449 4.640 0.020 0.000 0.197 1734 D C 1.557 177.828 176.300 -0.049 0.000 0.987 1734 D CA 1.112 55.098 54.000 -0.023 0.000 0.829 1734 D CB -0.324 40.482 40.800 0.010 0.000 0.961 1734 D HN 0.232 nan 8.370 nan 0.000 0.460 1735 F N 1.687 121.508 119.950 -0.215 0.000 2.146 1735 F HA -0.102 4.436 4.527 0.019 0.000 0.298 1735 F C 2.205 177.804 175.800 -0.334 0.000 1.096 1735 F CA 1.535 59.377 58.000 -0.265 0.000 1.275 1735 F CB -0.146 38.658 39.000 -0.327 0.000 1.008 1735 F HN -0.069 nan 8.300 nan 0.000 0.480 1736 A N 0.534 123.073 122.820 -0.468 0.000 1.972 1736 A HA -0.189 4.142 4.320 0.020 0.000 0.219 1736 A C 2.368 179.769 177.584 -0.305 0.000 1.169 1736 A CA 1.775 53.537 52.037 -0.458 0.000 0.635 1736 A CB -0.798 18.003 19.000 -0.333 0.000 0.810 1736 A HN 0.511 nan 8.150 nan 0.000 0.446 1737 R N -0.932 119.438 120.500 -0.216 0.000 2.062 1737 R HA -0.090 4.262 4.340 0.020 0.000 0.226 1737 R C 2.193 178.426 176.300 -0.112 0.000 1.125 1737 R CA 1.390 57.416 56.100 -0.122 0.000 0.966 1737 R CB -0.198 30.055 30.300 -0.078 0.000 0.861 1737 R HN 0.461 nan 8.270 nan 0.000 0.433 1738 E N -0.178 119.936 120.200 -0.144 0.000 2.085 1738 E HA -0.137 4.225 4.350 0.020 0.000 0.194 1738 E C 1.588 178.137 176.600 -0.085 0.000 0.994 1738 E CA 2.170 58.512 56.400 -0.096 0.000 0.801 1738 E CB -0.171 29.480 29.700 -0.082 0.000 0.743 1738 E HN 0.275 nan 8.360 nan 0.000 0.453 1739 T N -0.806 113.591 114.554 -0.263 0.000 2.777 1739 T HA -0.073 4.289 4.350 0.020 0.000 0.266 1739 T C 1.747 176.549 174.700 0.170 0.000 1.040 1739 T CA 1.199 63.211 62.100 -0.146 0.000 1.141 1739 T CB -0.690 67.784 68.868 -0.657 0.000 0.868 1739 T HN 0.388 nan 8.240 nan 0.000 0.444 1740 G N 1.180 110.017 108.800 0.062 0.000 2.421 1740 G HA2 -0.030 3.942 3.960 0.020 0.000 0.216 1740 G HA3 -0.030 3.942 3.960 0.020 0.000 0.216 1740 G C 1.815 176.844 174.900 0.215 0.000 1.171 1740 G CA 0.908 46.127 45.100 0.197 0.000 0.775 1740 G HN 0.574 nan 8.290 nan 0.000 0.543 1741 A N 1.052 123.927 122.820 0.092 0.000 1.845 1741 A HA 0.044 4.376 4.320 0.020 0.000 0.215 1741 A C 2.361 179.956 177.584 0.018 0.000 1.195 1741 A CA 1.548 53.614 52.037 0.048 0.000 0.616 1741 A CB -0.365 18.642 19.000 0.012 0.000 0.832 1741 A HN 0.247 nan 8.150 nan 0.000 0.443 1742 I N 0.123 120.707 120.570 0.023 0.000 2.179 1742 I HA -0.184 3.998 4.170 0.020 0.000 0.242 1742 I C 2.725 178.724 176.117 -0.196 0.000 1.088 1742 I CA 1.608 62.868 61.300 -0.067 0.000 1.357 1742 I CB -2.130 35.865 38.000 -0.007 0.000 1.051 1742 I HN 0.364 nan 8.210 nan 0.000 0.409 1743 G N 0.132 108.911 108.800 -0.035 0.000 2.433 1743 G HA2 -0.332 3.640 3.960 0.020 0.000 0.216 1743 G HA3 -0.332 3.640 3.960 0.020 0.000 0.216 1743 G C 1.604 176.061 174.900 -0.738 0.000 1.186 1743 G CA 0.923 45.803 45.100 -0.367 0.000 0.779 1743 G HN 0.328 nan 8.290 nan 0.000 0.543 1744 Q N 0.547 120.144 119.800 -0.340 0.000 2.112 1744 Q HA -0.135 4.216 4.340 0.020 0.000 0.206 1744 Q C 2.337 178.176 176.000 -0.267 0.000 0.987 1744 Q CA 2.302 57.961 55.803 -0.240 0.000 0.858 1744 Q CB -0.418 28.393 28.738 0.121 0.000 0.905 1744 Q HN 0.721 nan 8.270 nan 0.000 0.420 1745 E N -0.388 119.686 120.200 -0.210 0.000 2.023 1745 E HA -0.250 4.112 4.350 0.020 0.000 0.196 1745 E C 1.982 178.427 176.600 -0.259 0.000 1.003 1745 E CA 1.438 57.723 56.400 -0.192 0.000 0.809 1745 E CB -0.141 29.465 29.700 -0.157 0.000 0.755 1745 E HN 0.318 nan 8.360 nan 0.000 0.449 1746 R N 0.055 120.339 120.500 -0.360 0.000 2.091 1746 R HA -0.140 4.212 4.340 0.020 0.000 0.238 1746 R C 2.532 178.618 176.300 -0.357 0.000 1.136 1746 R CA 1.530 57.398 56.100 -0.386 0.000 0.959 1746 R CB -0.506 29.470 30.300 -0.539 0.000 0.856 1746 R HN 0.163 nan 8.270 nan 0.000 0.437 1747 V N 1.633 121.259 119.914 -0.481 0.000 2.295 1747 V HA -0.256 3.876 4.120 0.020 0.000 0.246 1747 V C 1.584 177.536 176.094 -0.237 0.000 1.049 1747 V CA 2.046 64.090 62.300 -0.428 0.000 1.024 1747 V CB -0.478 30.889 31.823 -0.759 0.000 0.648 1747 V HN 0.258 nan 8.190 nan 0.000 0.447 1748 D N 0.242 120.516 120.400 -0.211 0.000 2.104 1748 D HA -0.152 4.499 4.640 0.020 0.000 0.194 1748 D C 2.077 178.328 176.300 -0.082 0.000 0.994 1748 D CA 1.312 55.245 54.000 -0.112 0.000 0.830 1748 D CB -0.494 40.253 40.800 -0.090 0.000 0.959 1748 D HN 0.358 nan 8.370 nan 0.000 0.452 1749 N N 0.056 118.691 118.700 -0.107 0.000 2.104 1749 N HA -0.108 4.644 4.740 0.020 0.000 0.190 1749 N C 1.932 177.429 175.510 -0.021 0.000 1.024 1749 N CA 0.479 53.483 53.050 -0.077 0.000 0.853 1749 N CB -0.421 37.990 38.487 -0.126 0.000 1.008 1749 N HN 0.104 nan 8.380 nan 0.000 0.424 1750 V N 1.733 121.624 119.914 -0.037 0.000 2.548 1750 V HA -0.114 4.018 4.120 0.020 0.000 0.249 1750 V C 1.989 178.128 176.094 0.075 0.000 1.055 1750 V CA 1.094 63.423 62.300 0.048 0.000 1.065 1750 V CB -0.395 31.429 31.823 0.001 0.000 0.681 1750 V HN 0.328 nan 8.190 nan 0.000 0.462 1751 N N 0.756 119.465 118.700 0.015 0.000 2.080 1751 N HA -0.119 4.633 4.740 0.020 0.000 0.189 1751 N C 2.005 177.527 175.510 0.020 0.000 1.036 1751 N CA 1.692 54.750 53.050 0.012 0.000 0.846 1751 N CB -0.300 38.183 38.487 -0.006 0.000 1.015 1751 N HN 0.468 nan 8.380 nan 0.000 0.423 1752 A N 0.984 123.821 122.820 0.029 0.000 1.908 1752 A HA -0.166 4.166 4.320 0.020 0.000 0.218 1752 A C 2.073 179.708 177.584 0.085 0.000 1.181 1752 A CA 1.048 53.108 52.037 0.038 0.000 0.627 1752 A CB -0.887 18.131 19.000 0.029 0.000 0.818 1752 A HN 0.286 nan 8.150 nan 0.000 0.445 1753 F N 0.719 120.632 119.950 -0.062 0.000 2.075 1753 F HA -0.130 4.410 4.527 0.021 0.000 0.297 1753 F C 2.006 177.760 175.800 -0.077 0.000 1.113 1753 F CA 1.388 59.345 58.000 -0.071 0.000 1.218 1753 F CB -0.504 38.456 39.000 -0.068 0.000 0.984 1753 F HN 0.183 nan 8.300 nan 0.000 0.472 1754 I N 0.156 120.651 120.570 -0.125 0.000 2.208 1754 I HA -0.288 3.894 4.170 0.020 0.000 0.245 1754 I C 2.312 178.296 176.117 -0.222 0.000 1.097 1754 I CA 1.355 62.509 61.300 -0.243 0.000 1.363 1754 I CB -0.531 37.413 38.000 -0.094 0.000 1.051 1754 I HN 0.126 nan 8.210 nan 0.000 0.413 1755 E N 0.719 120.845 120.200 -0.122 0.000 2.106 1755 E HA -0.167 4.195 4.350 0.020 0.000 0.192 1755 E C 2.263 178.794 176.600 -0.116 0.000 0.984 1755 E CA 0.978 57.319 56.400 -0.098 0.000 0.806 1755 E CB -0.281 29.389 29.700 -0.050 0.000 0.750 1755 E HN 0.455 nan 8.360 nan 0.000 0.458 1756 R N 0.262 120.688 120.500 -0.122 0.000 2.091 1756 R HA -0.064 4.288 4.340 0.020 0.000 0.238 1756 R C 2.595 178.787 176.300 -0.180 0.000 1.136 1756 R CA 0.830 56.862 56.100 -0.113 0.000 0.959 1756 R CB -0.329 29.938 30.300 -0.055 0.000 0.856 1756 R HN 0.179 nan 8.270 nan 0.000 0.437 1757 L N 0.385 121.419 121.223 -0.316 0.000 1.976 1757 L HA -0.212 4.140 4.340 0.020 0.000 0.209 1757 L C 2.424 179.197 176.870 -0.162 0.000 1.071 1757 L CA 1.455 56.111 54.840 -0.307 0.000 0.746 1757 L CB -0.474 41.291 42.059 -0.490 0.000 0.890 1757 L HN 0.201 nan 8.230 nan 0.000 0.432 1758 I N -0.031 120.435 120.570 -0.174 0.000 2.208 1758 I HA -0.329 3.853 4.170 0.020 0.000 0.245 1758 I C 2.025 178.100 176.117 -0.069 0.000 1.097 1758 I CA 1.374 62.607 61.300 -0.111 0.000 1.363 1758 I CB -0.544 37.385 38.000 -0.119 0.000 1.051 1758 I HN 0.290 nan 8.210 nan 0.000 0.413 1759 D N 1.175 121.533 120.400 -0.070 0.000 2.144 1759 D HA -0.121 4.531 4.640 0.020 0.000 0.199 1759 D C 2.162 178.441 176.300 -0.035 0.000 0.984 1759 D CA 1.472 55.444 54.000 -0.046 0.000 0.834 1759 D CB -0.157 40.618 40.800 -0.042 0.000 0.955 1759 D HN 0.369 nan 8.370 nan 0.000 0.465 1760 A N -0.091 122.704 122.820 -0.041 0.000 2.167 1760 A HA 0.413 4.745 4.320 0.020 0.000 0.214 1760 A C 1.219 178.795 177.584 -0.013 0.000 1.151 1760 A CA 0.962 52.986 52.037 -0.022 0.000 0.735 1760 A CB -0.315 18.671 19.000 -0.023 0.000 0.802 1760 A HN 0.280 nan 8.150 nan 0.000 0.467 1761 G N -0.615 108.177 108.800 -0.014 0.000 3.421 1761 G HA2 -0.064 3.908 3.960 0.020 0.000 0.656 1761 G HA3 -0.064 3.908 3.960 0.020 0.000 0.656 1761 G C -0.628 174.281 174.900 0.015 0.000 1.007 1761 G CA 0.070 45.167 45.100 -0.006 0.000 0.811 1761 G HN 0.882 nan 8.290 nan 0.000 0.433 1762 H N 2.043 121.061 119.070 -0.086 0.000 2.637 1762 H HA 0.649 5.216 4.556 0.019 0.000 0.363 1762 H C 1.495 176.765 175.328 -0.097 0.000 1.131 1762 H CA 0.092 56.085 56.048 -0.092 0.000 1.183 1762 H CB 2.050 31.732 29.762 -0.134 0.000 1.637 1762 H HN 0.755 nan 8.280 nan 0.000 0.531 1763 S N 2.567 118.188 115.700 -0.131 0.000 2.474 1763 S HA -0.068 4.414 4.470 0.020 0.000 0.235 1763 S C 0.452 175.098 174.600 0.077 0.000 0.997 1763 S CA 0.908 59.086 58.200 -0.037 0.000 0.949 1763 S CB 0.134 63.259 63.200 -0.126 0.000 0.766 1763 S HN 0.622 nan 8.310 nan 0.000 0.517 1764 E N 0.471 120.868 120.200 0.328 0.000 2.569 1764 E HA 0.439 4.801 4.350 0.020 0.000 0.205 1764 E C 1.479 177.954 176.600 -0.207 0.000 1.006 1764 E CA 0.453 56.852 56.400 -0.001 0.000 0.985 1764 E CB 0.400 30.069 29.700 -0.051 0.000 1.060 1764 E HN 0.582 nan 8.360 nan 0.000 0.460 1765 A N 1.179 123.922 122.820 -0.129 0.000 1.978 1765 A HA -0.116 4.216 4.320 0.020 0.000 0.220 1765 A C 2.316 179.778 177.584 -0.204 0.000 1.170 1765 A CA 1.754 53.676 52.037 -0.192 0.000 0.636 1765 A CB -0.207 18.731 19.000 -0.104 0.000 0.810 1765 A HN 0.276 nan 8.150 nan 0.000 0.448 1766 A N -0.881 121.839 122.820 -0.167 0.000 1.898 1766 A HA -0.059 4.273 4.320 0.020 0.000 0.216 1766 A C 2.310 179.760 177.584 -0.223 0.000 1.181 1766 A CA 2.235 54.179 52.037 -0.154 0.000 0.620 1766 A CB -1.094 17.841 19.000 -0.109 0.000 0.819 1766 A HN 0.448 nan 8.150 nan 0.000 0.442 1767 T N 0.208 114.569 114.554 -0.322 0.000 2.770 1767 T HA -0.019 4.343 4.350 0.020 0.000 0.263 1767 T C 1.823 176.013 174.700 -0.850 0.000 1.039 1767 T CA 1.294 63.089 62.100 -0.508 0.000 1.142 1767 T CB -0.404 68.159 68.868 -0.509 0.000 0.868 1767 T HN 0.381 nan 8.240 nan 0.000 0.435 1768 I N 1.725 121.801 120.570 -0.823 0.000 2.194 1768 I HA -0.261 3.921 4.170 0.020 0.000 0.246 1768 I C 2.955 178.872 176.117 -0.334 0.000 1.093 1768 I CA 1.295 62.161 61.300 -0.723 0.000 1.355 1768 I CB -0.508 37.157 38.000 -0.557 0.000 1.046 1768 I HN 0.218 nan 8.210 nan 0.000 0.413 1769 A N 0.455 123.124 122.820 -0.251 0.000 1.883 1769 A HA -0.257 4.075 4.320 0.020 0.000 0.217 1769 A C 2.188 179.744 177.584 -0.046 0.000 1.186 1769 A CA 1.923 53.891 52.037 -0.116 0.000 0.624 1769 A CB -0.678 18.261 19.000 -0.102 0.000 0.822 1769 A HN 0.491 nan 8.150 nan 0.000 0.444 1770 E N -1.212 118.946 120.200 -0.069 0.000 2.118 1770 E HA -0.238 4.123 4.350 0.020 0.000 0.195 1770 E C 1.795 178.517 176.600 0.204 0.000 0.992 1770 E CA 1.287 57.712 56.400 0.041 0.000 0.804 1770 E CB -0.228 29.490 29.700 0.030 0.000 0.741 1770 E HN 0.863 nan 8.360 nan 0.000 0.458 1771 W N 1.465 122.751 121.300 -0.025 0.000 2.379 1771 W HA -0.070 4.592 4.660 0.003 0.000 0.307 1771 W C 2.274 178.787 176.519 -0.009 0.000 1.200 1771 W CA 0.459 57.795 57.345 -0.016 0.000 1.297 1771 W CB -0.911 28.530 29.460 -0.032 0.000 1.140 1771 W HN 0.030 nan 8.180 nan 0.000 0.507 1772 K N 0.385 120.911 120.400 0.209 0.000 2.032 1772 K HA -0.191 4.140 4.320 0.020 0.000 0.209 1772 K C 1.595 178.257 176.600 0.103 0.000 1.048 1772 K CA 2.021 58.379 56.287 0.118 0.000 0.927 1772 K CB -0.298 32.234 32.500 0.054 0.000 0.712 1772 K HN -0.113 nan 8.250 nan 0.000 0.441 1773 D N -0.281 120.175 120.400 0.093 0.000 2.104 1773 D HA -0.138 4.514 4.640 0.020 0.000 0.194 1773 D C 1.865 178.223 176.300 0.097 0.000 0.994 1773 D CA 1.537 55.586 54.000 0.081 0.000 0.830 1773 D CB -0.599 40.238 40.800 0.062 0.000 0.959 1773 D HN 0.483 nan 8.370 nan 0.000 0.452 1774 G N 1.170 110.039 108.800 0.116 0.000 2.446 1774 G HA2 -0.236 3.735 3.960 0.020 0.000 0.217 1774 G HA3 -0.236 3.735 3.960 0.020 0.000 0.217 1774 G C 1.675 176.638 174.900 0.105 0.000 1.168 1774 G CA 0.960 46.124 45.100 0.106 0.000 0.771 1774 G HN 0.290 nan 8.290 nan 0.000 0.551 1775 L N 0.876 122.164 121.223 0.109 0.000 2.017 1775 L HA 0.014 4.366 4.340 0.020 0.000 0.208 1775 L C 2.269 179.231 176.870 0.154 0.000 1.073 1775 L CA 2.076 56.982 54.840 0.110 0.000 0.745 1775 L CB -0.678 41.429 42.059 0.079 0.000 0.894 1775 L HN 0.090 nan 8.230 nan 0.000 0.432 1776 N N -0.069 118.716 118.700 0.141 0.000 2.149 1776 N HA -0.235 4.517 4.740 0.020 0.000 0.188 1776 N C 1.831 177.461 175.510 0.200 0.000 1.019 1776 N CA 1.685 54.845 53.050 0.182 0.000 0.857 1776 N CB -0.104 38.462 38.487 0.132 0.000 0.997 1776 N HN 0.572 nan 8.380 nan 0.000 0.426 1777 E N 0.543 120.828 120.200 0.141 0.000 2.051 1777 E HA -0.077 4.285 4.350 0.020 0.000 0.192 1777 E C 2.084 178.757 176.600 0.122 0.000 0.991 1777 E CA 0.865 57.331 56.400 0.109 0.000 0.799 1777 E CB 0.055 29.805 29.700 0.083 0.000 0.748 1777 E HN 0.274 nan 8.360 nan 0.000 0.449 1778 M N -0.274 119.416 119.600 0.150 0.000 2.108 1778 M HA -0.207 4.285 4.480 0.020 0.000 0.261 1778 M C 2.167 178.601 176.300 0.224 0.000 1.066 1778 M CA 1.438 56.834 55.300 0.160 0.000 1.107 1778 M CB -0.452 32.251 32.600 0.172 0.000 1.356 1778 M HN 0.422 nan 8.290 nan 0.000 0.406 1779 W N 0.998 122.337 121.300 0.065 0.000 2.333 1779 W HA -0.278 4.392 4.660 0.016 0.000 0.316 1779 W C 2.274 178.827 176.519 0.058 0.000 1.215 1779 W CA 1.619 59.008 57.345 0.073 0.000 1.278 1779 W CB -0.199 29.303 29.460 0.070 0.000 1.154 1779 W HN 0.250 nan 8.180 nan 0.000 0.486 1780 A N 0.883 123.688 122.820 -0.025 0.000 1.908 1780 A HA -0.276 4.055 4.320 0.020 0.000 0.218 1780 A C 1.570 179.066 177.584 -0.146 0.000 1.181 1780 A CA 2.300 54.249 52.037 -0.147 0.000 0.627 1780 A CB -1.176 17.810 19.000 -0.024 0.000 0.818 1780 A HN 0.318 nan 8.150 nan 0.000 0.445 1781 D N -0.419 119.948 120.400 -0.055 0.000 2.104 1781 D HA -0.147 4.505 4.640 0.020 0.000 0.194 1781 D C 1.835 178.094 176.300 -0.067 0.000 0.994 1781 D CA 1.385 55.362 54.000 -0.039 0.000 0.830 1781 D CB -0.541 40.264 40.800 0.008 0.000 0.959 1781 D HN 0.358 nan 8.370 nan 0.000 0.452 1782 L N 0.639 121.813 121.223 -0.082 0.000 1.989 1782 L HA -0.124 4.228 4.340 0.020 0.000 0.211 1782 L C 2.159 178.907 176.870 -0.202 0.000 1.071 1782 L CA 1.476 56.257 54.840 -0.097 0.000 0.749 1782 L CB -0.634 41.399 42.059 -0.044 0.000 0.890 1782 L HN 0.027 nan 8.230 nan 0.000 0.431 1783 L N -0.655 120.314 121.223 -0.424 0.000 2.127 1783 L HA -0.223 4.129 4.340 0.020 0.000 0.211 1783 L C 2.586 179.349 176.870 -0.177 0.000 1.089 1783 L CA 1.588 56.194 54.840 -0.389 0.000 0.757 1783 L CB -0.535 41.194 42.059 -0.551 0.000 0.899 1783 L HN 0.489 nan 8.230 nan 0.000 0.434 1784 E N 0.388 120.507 120.200 -0.135 0.000 2.051 1784 E HA -0.160 4.201 4.350 0.020 0.000 0.189 1784 E C 2.399 178.985 176.600 -0.025 0.000 0.979 1784 E CA 0.570 56.930 56.400 -0.066 0.000 0.803 1784 E CB 0.068 29.735 29.700 -0.055 0.000 0.761 1784 E HN 0.408 nan 8.360 nan 0.000 0.451 1785 L N 0.911 122.124 121.223 -0.017 0.000 2.043 1785 L HA -0.242 4.109 4.340 0.020 0.000 0.212 1785 L C 2.510 179.430 176.870 0.082 0.000 1.075 1785 L CA 1.143 55.995 54.840 0.019 0.000 0.752 1785 L CB -0.351 41.723 42.059 0.025 0.000 0.891 1785 L HN 0.244 nan 8.230 nan 0.000 0.432 1786 I N -0.309 120.332 120.570 0.119 0.000 2.208 1786 I HA -0.334 3.848 4.170 0.020 0.000 0.245 1786 I C 2.144 178.422 176.117 0.269 0.000 1.097 1786 I CA 1.679 63.153 61.300 0.290 0.000 1.363 1786 I CB -0.298 37.797 38.000 0.158 0.000 1.051 1786 I HN 0.314 nan 8.210 nan 0.000 0.413 1787 D N 0.221 120.687 120.400 0.110 0.000 2.117 1787 D HA -0.181 4.471 4.640 0.020 0.000 0.198 1787 D C 2.201 178.537 176.300 0.060 0.000 0.982 1787 D CA 1.902 55.951 54.000 0.082 0.000 0.828 1787 D CB 0.127 40.938 40.800 0.019 0.000 0.967 1787 D HN 0.367 nan 8.370 nan 0.000 0.464 1788 T N -1.878 112.692 114.554 0.027 0.000 2.857 1788 T HA -0.155 4.207 4.350 0.020 0.000 0.266 1788 T C 2.035 176.711 174.700 -0.040 0.000 1.048 1788 T CA 1.038 63.134 62.100 -0.007 0.000 1.139 1788 T CB -0.306 68.550 68.868 -0.020 0.000 0.874 1788 T HN -0.009 nan 8.240 nan 0.000 0.455 1789 R N 0.936 121.397 120.500 -0.066 0.000 2.091 1789 R HA 0.098 4.450 4.340 0.020 0.000 0.238 1789 R C 2.462 178.595 176.300 -0.277 0.000 1.136 1789 R CA 1.757 57.700 56.100 -0.262 0.000 0.959 1789 R CB -0.828 29.177 30.300 -0.491 0.000 0.856 1789 R HN 0.533 nan 8.270 nan 0.000 0.437 1790 M N 0.002 119.583 119.600 -0.032 0.000 2.132 1790 M HA -0.159 4.333 4.480 0.020 0.000 0.263 1790 M C 2.049 178.369 176.300 0.035 0.000 1.065 1790 M CA 1.750 57.106 55.300 0.094 0.000 1.122 1790 M CB 0.025 32.779 32.600 0.257 0.000 1.365 1790 M HN 0.247 nan 8.290 nan 0.000 0.411 1791 Q N -0.215 119.597 119.800 0.020 0.000 2.084 1791 Q HA -0.207 4.145 4.340 0.020 0.000 0.202 1791 Q C 2.042 178.044 176.000 0.003 0.000 0.978 1791 Q CA 1.656 57.468 55.803 0.014 0.000 0.844 1791 Q CB -0.411 28.329 28.738 0.005 0.000 0.898 1791 Q HN 0.490 nan 8.270 nan 0.000 0.426 1792 L N 0.777 121.981 121.223 -0.031 0.000 1.970 1792 L HA -0.213 4.139 4.340 0.020 0.000 0.212 1792 L C 1.975 178.845 176.870 0.001 0.000 1.071 1792 L CA 1.769 56.589 54.840 -0.034 0.000 0.751 1792 L CB -0.583 41.430 42.059 -0.077 0.000 0.889 1792 L HN 0.211 nan 8.230 nan 0.000 0.432 1793 L N -0.640 120.566 121.223 -0.027 0.000 2.127 1793 L HA -0.197 4.154 4.340 0.020 0.000 0.211 1793 L C 2.617 179.559 176.870 0.120 0.000 1.089 1793 L CA 1.077 55.936 54.840 0.031 0.000 0.757 1793 L CB -0.848 41.193 42.059 -0.029 0.000 0.899 1793 L HN 0.448 nan 8.230 nan 0.000 0.434 1794 A N -0.111 122.767 122.820 0.096 0.000 1.930 1794 A HA -0.115 4.216 4.320 0.020 0.000 0.217 1794 A C 2.533 180.239 177.584 0.203 0.000 1.175 1794 A CA 1.554 53.675 52.037 0.139 0.000 0.627 1794 A CB -0.568 18.483 19.000 0.086 0.000 0.815 1794 A HN 0.387 nan 8.150 nan 0.000 0.443 1795 A N -0.846 122.060 122.820 0.143 0.000 1.898 1795 A HA -0.079 4.253 4.320 0.020 0.000 0.216 1795 A C 2.479 180.183 177.584 0.201 0.000 1.181 1795 A CA 2.071 54.196 52.037 0.147 0.000 0.620 1795 A CB -0.964 18.082 19.000 0.077 0.000 0.819 1795 A HN 0.545 nan 8.150 nan 0.000 0.442 1796 S N -1.884 113.935 115.700 0.199 0.000 2.368 1796 S HA -0.216 4.265 4.470 0.020 0.000 0.225 1796 S C 1.883 176.685 174.600 0.336 0.000 1.030 1796 S CA 1.702 60.041 58.200 0.232 0.000 0.999 1796 S CB -0.570 62.764 63.200 0.224 0.000 0.844 1796 S HN 0.643 nan 8.310 nan 0.000 0.459 1797 Y N 2.042 122.491 120.300 0.248 0.000 2.128 1797 Y HA -0.168 4.394 4.550 0.020 0.000 0.284 1797 Y C 2.033 178.124 175.900 0.318 0.000 1.154 1797 Y CA 2.308 60.606 58.100 0.329 0.000 1.149 1797 Y CB -0.721 37.884 38.460 0.242 0.000 0.976 1797 Y HN 0.276 nan 8.280 nan 0.000 0.505 1798 D N -0.042 120.544 120.400 0.310 0.000 2.123 1798 D HA -0.202 4.450 4.640 0.020 0.000 0.196 1798 D C 2.115 178.444 176.300 0.049 0.000 0.992 1798 D CA 1.440 55.532 54.000 0.154 0.000 0.833 1798 D CB -0.521 40.371 40.800 0.152 0.000 0.954 1798 D HN 0.392 nan 8.370 nan 0.000 0.455 1799 L N 0.318 121.575 121.223 0.057 0.000 2.017 1799 L HA -0.173 4.179 4.340 0.020 0.000 0.208 1799 L C 2.128 179.054 176.870 0.094 0.000 1.073 1799 L CA 1.837 56.661 54.840 -0.026 0.000 0.745 1799 L CB -0.535 41.474 42.059 -0.084 0.000 0.894 1799 L HN 0.190 nan 8.230 nan 0.000 0.432 1800 H N -0.711 118.460 119.070 0.170 0.000 2.389 1800 H HA -0.082 4.486 4.556 0.019 0.000 0.299 1800 H C 2.324 177.500 175.328 -0.252 0.000 1.081 1800 H CA 1.458 57.596 56.048 0.151 0.000 1.345 1800 H CB -0.061 29.880 29.762 0.299 0.000 1.393 1800 H HN 0.368 nan 8.280 nan 0.000 0.520 1801 R N 0.197 120.460 120.500 -0.395 0.000 2.120 1801 R HA -0.173 4.179 4.340 0.020 0.000 0.234 1801 R C 2.120 178.253 176.300 -0.278 0.000 1.123 1801 R CA 1.098 56.713 56.100 -0.809 0.000 0.975 1801 R CB -0.266 29.749 30.300 -0.474 0.000 0.866 1801 R HN 0.274 nan 8.270 nan 0.000 0.446 1802 Y N 0.398 120.557 120.300 -0.236 0.000 2.092 1802 Y HA -0.211 4.351 4.550 0.020 0.000 0.282 1802 Y C 1.736 177.565 175.900 -0.119 0.000 1.126 1802 Y CA 1.818 59.785 58.100 -0.223 0.000 1.111 1802 Y CB -0.764 37.438 38.460 -0.430 0.000 0.987 1802 Y HN -0.056 nan 8.280 nan 0.000 0.489 1803 F N -0.713 119.204 119.950 -0.055 0.000 2.120 1803 F HA -0.263 4.276 4.527 0.019 0.000 0.300 1803 F C 2.417 178.140 175.800 -0.128 0.000 1.095 1803 F CA 2.065 59.999 58.000 -0.110 0.000 1.249 1803 F CB -1.376 37.639 39.000 0.024 0.000 0.995 1803 F HN 0.258 nan 8.300 nan 0.000 0.480 1804 Y N 0.717 120.956 120.300 -0.102 0.000 2.128 1804 Y HA -0.272 4.290 4.550 0.020 0.000 0.284 1804 Y C 2.501 178.288 175.900 -0.189 0.000 1.154 1804 Y CA 2.240 60.225 58.100 -0.193 0.000 1.149 1804 Y CB -1.038 37.119 38.460 -0.505 0.000 0.976 1804 Y HN -0.042 nan 8.280 nan 0.000 0.505 1805 T N 0.135 114.515 114.554 -0.290 0.000 2.788 1805 T HA -0.121 4.241 4.350 0.020 0.000 0.268 1805 T C 1.988 176.394 174.700 -0.491 0.000 1.044 1805 T CA 1.374 63.279 62.100 -0.325 0.000 1.139 1805 T CB -1.010 67.841 68.868 -0.029 0.000 0.867 1805 T HN 0.628 nan 8.240 nan 0.000 0.454 1806 G N 1.203 109.711 108.800 -0.487 0.000 2.459 1806 G HA2 -0.117 3.855 3.960 0.020 0.000 0.217 1806 G HA3 -0.117 3.855 3.960 0.020 0.000 0.217 1806 G C 1.849 176.457 174.900 -0.487 0.000 1.183 1806 G CA 1.008 45.658 45.100 -0.749 0.000 0.776 1806 G HN 0.571 nan 8.290 nan 0.000 0.552 1807 A N 0.605 123.230 122.820 -0.326 0.000 1.883 1807 A HA -0.088 4.243 4.320 0.020 0.000 0.217 1807 A C 2.248 179.651 177.584 -0.301 0.000 1.186 1807 A CA 2.100 53.989 52.037 -0.247 0.000 0.624 1807 A CB -0.427 18.471 19.000 -0.170 0.000 0.822 1807 A HN 0.318 nan 8.150 nan 0.000 0.444 1808 E N -0.297 119.641 120.200 -0.437 0.000 2.058 1808 E HA -0.186 4.176 4.350 0.020 0.000 0.194 1808 E C 1.993 178.421 176.600 -0.288 0.000 0.997 1808 E CA 1.274 57.446 56.400 -0.379 0.000 0.801 1808 E CB -0.410 29.004 29.700 -0.476 0.000 0.746 1808 E HN 0.722 nan 8.360 nan 0.000 0.450 1809 I N 0.886 121.238 120.570 -0.364 0.000 2.179 1809 I HA -0.285 3.897 4.170 0.020 0.000 0.242 1809 I C 2.464 178.445 176.117 -0.225 0.000 1.088 1809 I CA 0.790 61.892 61.300 -0.331 0.000 1.357 1809 I CB -0.182 37.509 38.000 -0.515 0.000 1.051 1809 I HN 0.056 nan 8.210 nan 0.000 0.409 1810 L N 0.045 121.130 121.223 -0.231 0.000 2.042 1810 L HA -0.198 4.154 4.340 0.020 0.000 0.210 1810 L C 2.622 179.443 176.870 -0.082 0.000 1.076 1810 L CA 1.701 56.461 54.840 -0.133 0.000 0.749 1810 L CB -1.290 40.692 42.059 -0.128 0.000 0.893 1810 L HN 0.357 nan 8.230 nan 0.000 0.432 1811 G N -0.236 108.504 108.800 -0.099 0.000 2.422 1811 G HA2 -0.202 3.769 3.960 0.020 0.000 0.218 1811 G HA3 -0.202 3.769 3.960 0.020 0.000 0.218 1811 G C 1.664 176.540 174.900 -0.040 0.000 1.146 1811 G CA 0.428 45.490 45.100 -0.063 0.000 0.769 1811 G HN 0.215 nan 8.290 nan 0.000 0.547 1812 L N 0.422 121.608 121.223 -0.061 0.000 2.109 1812 L HA 0.006 4.358 4.340 0.020 0.000 0.207 1812 L C 2.694 179.571 176.870 0.013 0.000 1.086 1812 L CA 0.288 55.107 54.840 -0.034 0.000 0.760 1812 L CB -0.131 41.887 42.059 -0.068 0.000 0.910 1812 L HN 0.122 nan 8.230 nan 0.000 0.437 1813 I N -0.428 120.158 120.570 0.027 0.000 2.202 1813 I HA -0.290 3.892 4.170 0.020 0.000 0.242 1813 I C 2.165 178.359 176.117 0.129 0.000 1.091 1813 I CA 1.508 62.871 61.300 0.105 0.000 1.368 1813 I CB -1.226 36.851 38.000 0.129 0.000 1.058 1813 I HN 0.265 nan 8.210 nan 0.000 0.410 1814 D N 0.804 121.252 120.400 0.080 0.000 2.104 1814 D HA -0.252 4.400 4.640 0.020 0.000 0.194 1814 D C 2.216 178.573 176.300 0.095 0.000 0.994 1814 D CA 1.472 55.516 54.000 0.074 0.000 0.830 1814 D CB 0.055 40.861 40.800 0.012 0.000 0.959 1814 D HN 0.392 nan 8.370 nan 0.000 0.452 1815 E N -0.198 120.042 120.200 0.067 0.000 2.058 1815 E HA -0.243 4.118 4.350 0.020 0.000 0.194 1815 E C 1.816 178.485 176.600 0.115 0.000 0.997 1815 E CA 1.078 57.521 56.400 0.070 0.000 0.801 1815 E CB 0.148 29.874 29.700 0.044 0.000 0.746 1815 E HN 0.063 nan 8.360 nan 0.000 0.450 1816 K N -0.017 120.458 120.400 0.125 0.000 2.057 1816 K HA -0.151 4.181 4.320 0.020 0.000 0.206 1816 K C 2.247 178.987 176.600 0.233 0.000 1.050 1816 K CA 0.997 57.392 56.287 0.180 0.000 0.935 1816 K CB -0.572 31.967 32.500 0.066 0.000 0.715 1816 K HN 0.368 nan 8.250 nan 0.000 0.439 1817 H N 1.507 120.638 119.070 0.102 0.000 2.319 1817 H HA -0.049 4.519 4.556 0.020 0.000 0.299 1817 H C 2.047 177.407 175.328 0.054 0.000 1.092 1817 H CA 1.629 57.719 56.048 0.070 0.000 1.302 1817 H CB 0.298 30.077 29.762 0.029 0.000 1.373 1817 H HN 0.128 nan 8.280 nan 0.000 0.497 1818 R N 0.705 121.329 120.500 0.208 0.000 2.148 1818 R HA -0.043 4.309 4.340 0.020 0.000 0.227 1818 R C 1.265 177.614 176.300 0.081 0.000 1.103 1818 R CA 0.281 56.449 56.100 0.113 0.000 0.983 1818 R CB 0.025 30.367 30.300 0.070 0.000 0.874 1818 R HN 0.440 nan 8.270 nan 0.000 0.451 1842 E N 1.175 121.485 120.200 0.183 0.000 2.070 1842 E HA -0.186 4.176 4.350 0.020 0.000 0.197 1842 E C 1.844 178.449 176.600 0.009 0.000 1.004 1842 E CA 2.294 58.752 56.400 0.097 0.000 0.805 1842 E CB -0.172 29.586 29.700 0.098 0.000 0.744 1842 E HN 0.411 nan 8.360 nan 0.000 0.451 1843 R N 0.538 121.047 120.500 0.015 0.000 2.062 1843 R HA -0.075 4.276 4.340 0.020 0.000 0.229 1843 R C 1.990 178.299 176.300 0.015 0.000 1.128 1843 R CA 1.351 57.471 56.100 0.034 0.000 0.960 1843 R CB -0.182 30.140 30.300 0.036 0.000 0.855 1843 R HN 0.177 nan 8.270 nan 0.000 0.432 1844 D N 0.231 120.589 120.400 -0.070 0.000 2.149 1844 D HA -0.166 4.486 4.640 0.020 0.000 0.194 1844 D C 1.868 178.094 176.300 -0.123 0.000 1.001 1844 D CA 1.575 55.507 54.000 -0.114 0.000 0.849 1844 D CB 0.009 40.699 40.800 -0.183 0.000 0.939 1844 D HN 0.063 nan 8.370 nan 0.000 0.449 1845 V N 0.513 120.313 119.914 -0.190 0.000 2.427 1845 V HA -0.227 3.904 4.120 0.020 0.000 0.248 1845 V C 2.311 178.499 176.094 0.156 0.000 1.051 1845 V CA 1.765 64.027 62.300 -0.063 0.000 1.048 1845 V CB -0.700 31.002 31.823 -0.201 0.000 0.666 1845 V HN 0.239 nan 8.190 nan 0.000 0.456 1846 H N 0.308 119.403 119.070 0.041 0.000 2.387 1846 H HA -0.096 4.472 4.556 0.020 0.000 0.299 1846 H C 1.972 177.315 175.328 0.025 0.000 1.090 1846 H CA 1.825 57.916 56.048 0.072 0.000 1.332 1846 H CB -0.177 29.605 29.762 0.034 0.000 1.386 1846 H HN 0.334 nan 8.280 nan 0.000 0.516 1847 L N -0.609 120.555 121.223 -0.098 0.000 2.044 1847 L HA -0.103 4.249 4.340 0.020 0.000 0.205 1847 L C 2.443 179.208 176.870 -0.175 0.000 1.075 1847 L CA 0.945 55.690 54.840 -0.158 0.000 0.747 1847 L CB -0.511 41.515 42.059 -0.054 0.000 0.903 1847 L HN 0.302 nan 8.230 nan 0.000 0.435 1848 L N 0.638 121.792 121.223 -0.115 0.000 2.079 1848 L HA -0.095 4.257 4.340 0.020 0.000 0.210 1848 L C 2.350 179.011 176.870 -0.348 0.000 1.081 1848 L CA 1.953 56.707 54.840 -0.143 0.000 0.752 1848 L CB -0.963 41.086 42.059 -0.017 0.000 0.896 1848 L HN 0.155 nan 8.230 nan 0.000 0.433 1849 G N -1.327 107.262 108.800 -0.352 0.000 2.440 1849 G HA2 -0.256 3.715 3.960 0.020 0.000 0.218 1849 G HA3 -0.256 3.715 3.960 0.020 0.000 0.218 1849 G C 1.673 176.240 174.900 -0.555 0.000 1.154 1849 G CA 0.976 45.646 45.100 -0.716 0.000 0.767 1849 G HN 0.333 nan 8.290 nan 0.000 0.552 1850 V N 0.169 119.839 119.914 -0.407 0.000 2.295 1850 V HA -0.194 3.938 4.120 0.020 0.000 0.246 1850 V C 2.765 178.706 176.094 -0.255 0.000 1.049 1850 V CA 2.773 64.887 62.300 -0.309 0.000 1.024 1850 V CB -0.179 31.479 31.823 -0.274 0.000 0.648 1850 V HN 0.530 nan 8.190 nan 0.000 0.447 1851 Q N -0.924 118.726 119.800 -0.250 0.000 2.152 1851 Q HA -0.199 4.153 4.340 0.020 0.000 0.206 1851 Q C 2.127 178.000 176.000 -0.212 0.000 0.985 1851 Q CA 2.379 58.067 55.803 -0.192 0.000 0.863 1851 Q CB -0.105 28.525 28.738 -0.180 0.000 0.904 1851 Q HN 0.600 nan 8.270 nan 0.000 0.422 1852 V N 0.483 120.173 119.914 -0.374 0.000 2.307 1852 V HA -0.277 3.855 4.120 0.020 0.000 0.245 1852 V C 2.315 178.261 176.094 -0.248 0.000 1.045 1852 V CA 2.002 64.053 62.300 -0.416 0.000 1.024 1852 V CB -0.630 30.652 31.823 -0.901 0.000 0.651 1852 V HN 0.459 nan 8.190 nan 0.000 0.449 1853 Q N 0.357 119.992 119.800 -0.276 0.000 2.096 1853 Q HA -0.276 4.076 4.340 0.020 0.000 0.204 1853 Q C 2.072 178.023 176.000 -0.081 0.000 0.982 1853 Q CA 2.172 57.880 55.803 -0.159 0.000 0.850 1853 Q CB -0.447 28.202 28.738 -0.149 0.000 0.901 1853 Q HN 0.633 nan 8.270 nan 0.000 0.422 1854 Q N -0.726 119.033 119.800 -0.069 0.000 2.020 1854 Q HA -0.086 4.265 4.340 0.020 0.000 0.202 1854 Q C 1.734 177.741 176.000 0.013 0.000 0.982 1854 Q CA 1.874 57.661 55.803 -0.027 0.000 0.838 1854 Q CB -0.527 28.200 28.738 -0.019 0.000 0.899 1854 Q HN 0.510 nan 8.270 nan 0.000 0.423 1855 F N 1.138 121.020 119.950 -0.113 0.000 2.154 1855 F HA -0.299 4.240 4.527 0.020 0.000 0.301 1855 F C 2.040 177.819 175.800 -0.035 0.000 1.087 1855 F CA 1.718 59.668 58.000 -0.083 0.000 1.274 1855 F CB -0.056 38.850 39.000 -0.157 0.000 1.009 1855 F HN 0.138 nan 8.300 nan 0.000 0.485 1856 Q N -0.175 119.651 119.800 0.043 0.000 2.096 1856 Q HA -0.225 4.127 4.340 0.020 0.000 0.204 1856 Q C 1.853 177.797 176.000 -0.094 0.000 0.982 1856 Q CA 1.767 57.554 55.803 -0.025 0.000 0.850 1856 Q CB -0.300 28.431 28.738 -0.013 0.000 0.901 1856 Q HN 0.432 nan 8.270 nan 0.000 0.422 1857 D N -0.099 120.251 120.400 -0.084 0.000 2.117 1857 D HA -0.123 4.529 4.640 0.020 0.000 0.197 1857 D C 2.020 178.240 176.300 -0.133 0.000 0.987 1857 D CA 0.916 54.863 54.000 -0.088 0.000 0.829 1857 D CB -0.299 40.464 40.800 -0.062 0.000 0.961 1857 D HN 0.052 nan 8.370 nan 0.000 0.460 1858 V N 1.640 121.455 119.914 -0.165 0.000 2.332 1858 V HA -0.259 3.873 4.120 0.020 0.000 0.248 1858 V C 2.573 178.443 176.094 -0.374 0.000 1.055 1858 V CA 1.861 64.027 62.300 -0.223 0.000 1.038 1858 V CB -0.890 30.822 31.823 -0.186 0.000 0.651 1858 V HN 0.197 nan 8.190 nan 0.000 0.450 1859 A N -0.167 122.399 122.820 -0.423 0.000 1.933 1859 A HA -0.228 4.104 4.320 0.020 0.000 0.218 1859 A C 2.396 179.778 177.584 -0.336 0.000 1.175 1859 A CA 2.562 54.295 52.037 -0.505 0.000 0.628 1859 A CB -0.900 17.918 19.000 -0.304 0.000 0.814 1859 A HN 0.534 nan 8.150 nan 0.000 0.444 1860 T N -0.650 113.776 114.554 -0.212 0.000 2.770 1860 T HA -0.112 4.250 4.350 0.020 0.000 0.263 1860 T C 2.053 176.672 174.700 -0.134 0.000 1.039 1860 T CA 1.324 63.339 62.100 -0.141 0.000 1.142 1860 T CB -0.264 68.549 68.868 -0.091 0.000 0.868 1860 T HN 0.662 nan 8.240 nan 0.000 0.435 1861 R N 0.640 121.056 120.500 -0.139 0.000 2.083 1861 R HA -0.095 4.257 4.340 0.020 0.000 0.237 1861 R C 2.235 178.467 176.300 -0.112 0.000 1.137 1861 R CA 1.382 57.417 56.100 -0.108 0.000 0.951 1861 R CB -0.606 29.635 30.300 -0.098 0.000 0.851 1861 R HN 0.216 nan 8.270 nan 0.000 0.434 1862 L N 1.465 122.571 121.223 -0.194 0.000 2.131 1862 L HA -0.122 4.229 4.340 0.020 0.000 0.210 1862 L C 2.599 179.413 176.870 -0.093 0.000 1.092 1862 L CA 1.792 56.518 54.840 -0.190 0.000 0.759 1862 L CB -0.711 41.061 42.059 -0.478 0.000 0.903 1862 L HN 0.377 nan 8.230 nan 0.000 0.435 1863 Q N -1.040 118.675 119.800 -0.142 0.000 2.084 1863 Q HA -0.227 4.125 4.340 0.020 0.000 0.202 1863 Q C 2.138 178.138 176.000 0.000 0.000 0.978 1863 Q CA 2.577 58.337 55.803 -0.071 0.000 0.844 1863 Q CB -0.145 28.538 28.738 -0.092 0.000 0.898 1863 Q HN 0.648 nan 8.270 nan 0.000 0.426 1864 T N -2.002 112.539 114.554 -0.020 0.000 2.778 1864 T HA -0.148 4.214 4.350 0.020 0.000 0.269 1864 T C 1.724 176.419 174.700 -0.009 0.000 1.050 1864 T CA 1.296 63.387 62.100 -0.016 0.000 1.137 1864 T CB -0.488 68.363 68.868 -0.028 0.000 0.860 1864 T HN 0.357 nan 8.240 nan 0.000 0.468 1865 A N -0.157 122.674 122.820 0.017 0.000 2.016 1865 A HA 0.328 4.660 4.320 0.020 0.000 0.217 1865 A C 0.667 178.141 177.584 -0.183 0.000 1.162 1865 A CA 0.127 52.129 52.037 -0.058 0.000 0.662 1865 A CB -0.398 18.573 19.000 -0.049 0.000 0.812 1865 A HN 0.656 nan 8.150 nan 0.000 0.450 1866 Y N -1.674 118.588 120.300 -0.064 0.000 2.534 1866 Y HA 0.632 5.194 4.550 0.020 0.000 0.329 1866 Y C 0.420 176.298 175.900 -0.037 0.000 1.154 1866 Y CA -0.305 57.766 58.100 -0.047 0.000 1.192 1866 Y CB 1.522 39.952 38.460 -0.049 0.000 1.275 1866 Y HN 0.213 nan 8.280 nan 0.000 0.491 1867 A N 0.253 123.143 122.820 0.117 0.000 2.587 1867 A HA 0.743 5.074 4.320 0.020 0.000 0.293 1867 A C 0.137 177.760 177.584 0.066 0.000 1.087 1867 A CA -0.162 51.914 52.037 0.065 0.000 0.692 1867 A CB 0.891 19.903 19.000 0.020 0.000 1.291 1867 A HN 1.399 nan 8.150 nan 0.000 0.407 1868 G N 0.828 109.655 108.800 0.045 0.000 2.531 1868 G HA2 -0.257 3.714 3.960 0.020 0.000 0.274 1868 G HA3 -0.257 3.714 3.960 0.020 0.000 0.274 1868 G C 0.656 175.584 174.900 0.047 0.000 1.159 1868 G CA 1.146 46.269 45.100 0.038 0.000 0.969 1868 G HN 1.003 nan 8.290 nan 0.000 0.554 1869 E N 0.332 120.559 120.200 0.045 0.000 2.031 1869 E HA -0.011 4.351 4.350 0.020 0.000 0.193 1869 E C 2.561 179.195 176.600 0.055 0.000 0.994 1869 E CA 1.641 58.066 56.400 0.042 0.000 0.800 1869 E CB -0.126 29.593 29.700 0.031 0.000 0.752 1869 E HN 0.337 nan 8.360 nan 0.000 0.447 1870 K N 0.228 120.674 120.400 0.077 0.000 2.057 1870 K HA -0.010 4.322 4.320 0.020 0.000 0.207 1870 K C 2.036 178.670 176.600 0.057 0.000 1.049 1870 K CA 1.234 57.572 56.287 0.085 0.000 0.931 1870 K CB -0.463 32.144 32.500 0.178 0.000 0.714 1870 K HN 0.167 nan 8.250 nan 0.000 0.440 1871 A N 0.749 123.621 122.820 0.086 0.000 1.930 1871 A HA -0.168 4.164 4.320 0.020 0.000 0.217 1871 A C 2.137 179.733 177.584 0.020 0.000 1.175 1871 A CA 1.657 53.722 52.037 0.047 0.000 0.627 1871 A CB -0.326 18.720 19.000 0.077 0.000 0.815 1871 A HN 0.385 nan 8.150 nan 0.000 0.443 1872 E N -0.326 119.901 120.200 0.044 0.000 2.047 1872 E HA -0.037 4.325 4.350 0.020 0.000 0.191 1872 E C 2.251 178.901 176.600 0.083 0.000 0.987 1872 E CA 0.931 57.360 56.400 0.049 0.000 0.799 1872 E CB -0.266 29.461 29.700 0.045 0.000 0.752 1872 E HN 0.550 nan 8.360 nan 0.000 0.449 1873 A N 0.867 123.758 122.820 0.119 0.000 1.927 1873 A HA -0.244 4.088 4.320 0.020 0.000 0.220 1873 A C 2.151 179.932 177.584 0.329 0.000 1.185 1873 A CA 1.510 53.683 52.037 0.227 0.000 0.639 1873 A CB -0.774 18.360 19.000 0.223 0.000 0.820 1873 A HN 0.303 nan 8.150 nan 0.000 0.451 1874 I N -1.189 119.488 120.570 0.178 0.000 2.226 1874 I HA -0.299 3.883 4.170 0.020 0.000 0.245 1874 I C 2.856 178.984 176.117 0.019 0.000 1.100 1874 I CA 1.783 63.061 61.300 -0.036 0.000 1.374 1874 I CB -0.320 37.480 38.000 -0.333 0.000 1.057 1874 I HN 0.488 nan 8.210 nan 0.000 0.413 1875 Q N 0.541 120.352 119.800 0.018 0.000 2.079 1875 Q HA -0.182 4.170 4.340 0.020 0.000 0.200 1875 Q C 2.056 178.101 176.000 0.075 0.000 0.974 1875 Q CA 1.259 57.080 55.803 0.030 0.000 0.840 1875 Q CB 0.083 28.831 28.738 0.015 0.000 0.898 1875 Q HN 0.492 nan 8.270 nan 0.000 0.430 1876 N N 0.781 119.537 118.700 0.094 0.000 2.069 1876 N HA -0.193 4.558 4.740 0.020 0.000 0.191 1876 N C 1.625 177.207 175.510 0.118 0.000 1.031 1876 N CA 1.292 54.401 53.050 0.100 0.000 0.852 1876 N CB -0.227 38.324 38.487 0.107 0.000 1.018 1876 N HN 0.054 nan 8.380 nan 0.000 0.423 1877 K N 1.570 122.068 120.400 0.164 0.000 2.148 1877 K HA -0.070 4.262 4.320 0.020 0.000 0.204 1877 K C 1.849 178.554 176.600 0.176 0.000 1.050 1877 K CA 0.835 57.214 56.287 0.152 0.000 0.942 1877 K CB -0.119 32.468 32.500 0.145 0.000 0.724 1877 K HN 0.162 nan 8.250 nan 0.000 0.446 1878 E N 0.715 121.041 120.200 0.211 0.000 2.031 1878 E HA -0.249 4.112 4.350 0.020 0.000 0.193 1878 E C 1.847 178.544 176.600 0.161 0.000 0.994 1878 E CA 1.611 58.159 56.400 0.247 0.000 0.800 1878 E CB -0.024 29.756 29.700 0.133 0.000 0.752 1878 E HN 0.427 nan 8.360 nan 0.000 0.447 1879 Q N 0.514 120.378 119.800 0.108 0.000 2.061 1879 Q HA -0.189 4.162 4.340 0.020 0.000 0.204 1879 Q C 2.241 178.288 176.000 0.078 0.000 0.984 1879 Q CA 1.878 57.732 55.803 0.084 0.000 0.846 1879 Q CB -0.196 28.581 28.738 0.065 0.000 0.902 1879 Q HN 0.382 nan 8.270 nan 0.000 0.421 1880 E N 0.089 120.331 120.200 0.070 0.000 2.065 1880 E HA -0.246 4.116 4.350 0.020 0.000 0.201 1880 E C 1.923 178.543 176.600 0.034 0.000 1.016 1880 E CA 1.709 58.136 56.400 0.046 0.000 0.818 1880 E CB 0.016 29.738 29.700 0.037 0.000 0.749 1880 E HN 0.169 nan 8.360 nan 0.000 0.453 1881 V N 0.591 120.515 119.914 0.017 0.000 2.287 1881 V HA -0.277 3.855 4.120 0.020 0.000 0.248 1881 V C 2.457 178.592 176.094 0.069 0.000 1.053 1881 V CA 2.023 64.302 62.300 -0.035 0.000 1.027 1881 V CB -0.542 31.171 31.823 -0.183 0.000 0.646 1881 V HN 0.285 nan 8.190 nan 0.000 0.447 1882 S N 0.215 115.980 115.700 0.108 0.000 2.359 1882 S HA -0.219 4.263 4.470 0.020 0.000 0.224 1882 S C 2.231 176.946 174.600 0.191 0.000 1.035 1882 S CA 1.522 59.822 58.200 0.167 0.000 1.018 1882 S CB -0.608 62.672 63.200 0.132 0.000 0.876 1882 S HN 0.668 nan 8.310 nan 0.000 0.448 1883 A N 1.747 124.639 122.820 0.120 0.000 1.883 1883 A HA 0.022 4.354 4.320 0.020 0.000 0.217 1883 A C 2.397 180.038 177.584 0.094 0.000 1.186 1883 A CA 1.910 54.001 52.037 0.089 0.000 0.624 1883 A CB -1.247 17.788 19.000 0.059 0.000 0.822 1883 A HN 0.537 nan 8.150 nan 0.000 0.444 1884 A N -1.256 121.624 122.820 0.099 0.000 1.908 1884 A HA -0.208 4.124 4.320 0.020 0.000 0.218 1884 A C 2.144 179.831 177.584 0.170 0.000 1.181 1884 A CA 1.455 53.555 52.037 0.106 0.000 0.627 1884 A CB -0.997 18.047 19.000 0.073 0.000 0.818 1884 A HN 0.890 nan 8.150 nan 0.000 0.445 1885 W N 0.309 121.611 121.300 0.003 0.000 2.355 1885 W HA -0.194 4.478 4.660 0.020 0.000 0.309 1885 W C 2.013 178.538 176.519 0.011 0.000 1.206 1885 W CA 1.933 59.276 57.345 -0.004 0.000 1.284 1885 W CB -0.230 29.216 29.460 -0.023 0.000 1.145 1885 W HN 0.361 nan 8.180 nan 0.000 0.502 1886 Q N 0.680 120.450 119.800 -0.050 0.000 2.084 1886 Q HA -0.171 4.180 4.340 0.020 0.000 0.202 1886 Q C 2.499 178.405 176.000 -0.156 0.000 0.978 1886 Q CA 2.111 57.819 55.803 -0.158 0.000 0.844 1886 Q CB -1.059 27.676 28.738 -0.005 0.000 0.898 1886 Q HN 0.390 nan 8.270 nan 0.000 0.426 1887 A N 1.073 123.873 122.820 -0.033 0.000 1.917 1887 A HA -0.204 4.128 4.320 0.020 0.000 0.219 1887 A C 2.165 179.754 177.584 0.008 0.000 1.182 1887 A CA 1.383 53.456 52.037 0.060 0.000 0.633 1887 A CB -0.846 18.251 19.000 0.161 0.000 0.819 1887 A HN 0.403 nan 8.150 nan 0.000 0.448 1888 L N -1.118 120.015 121.223 -0.151 0.000 1.994 1888 L HA 0.002 4.354 4.340 0.020 0.000 0.208 1888 L C 1.613 178.215 176.870 -0.445 0.000 1.071 1888 L CA 0.820 55.396 54.840 -0.440 0.000 0.745 1888 L CB -0.367 41.465 42.059 -0.378 0.000 0.892 1888 L HN 0.494 nan 8.230 nan 0.000 0.431 1889 L N 0.000 120.881 121.223 -0.570 0.000 2.949 1889 L HA 0.000 4.352 4.340 0.020 0.000 0.249 1889 L CA 0.000 54.559 54.840 -0.468 0.000 0.813 1889 L CB 0.000 41.721 42.059 -0.563 0.000 0.961 1889 L HN 0.000 nan 8.230 nan 0.000 0.502