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 3kbu_1_B DATA FIRST_RESID 1587 DATA SEQUENCE QQYYLDADEA EAWIGEQELY VISDEIPKDE EGAIVMLKRH LRQQRAVEDY DATA SEQUENCE GRNIKQLASR AQGLLSAGHP EGEQIIRLQG QVDKHYAGLK DVACERKRKL DATA SEQUENCE ENMYHLFQLK RETDDLEQWI SEKELVASSP EMGQDFDHVT LLRDKFRDFA DATA SEQUENCE RETGAIGQER VDNVNAFIER LIDAGHSEAA TIAEWKDGLN EMWADLLELI DATA SEQUENCE DTRMQLLAAS YDLHRYFYTG AEILGLIDEK HRELPEDVGL DXXXXXXXXX DATA SEQUENCE VHTAFERDVH LLGVQVQQFQ DVATRLQTAY AGEKAEAIQN KEQEVSAAWQ DATA SEQUENCE ALLDACA 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 1587 Q HA 0.000 nan 4.340 nan 0.000 0.214 1587 Q C 0.000 176.066 176.000 0.109 0.000 1.003 1587 Q CA 0.000 55.937 55.803 0.224 0.000 1.022 1587 Q CB 0.000 28.826 28.738 0.147 0.000 1.108 1588 Q N 0.729 120.540 119.800 0.018 0.000 2.084 1588 Q HA -0.128 4.213 4.340 0.001 0.000 0.202 1588 Q C 1.629 177.593 176.000 -0.059 0.000 0.978 1588 Q CA 1.971 57.768 55.803 -0.010 0.000 0.844 1588 Q CB -0.254 28.474 28.738 -0.015 0.000 0.898 1588 Q HN 0.501 nan 8.270 nan 0.000 0.426 1589 Y N -0.521 119.637 120.300 -0.236 0.000 2.207 1589 Y HA -0.296 4.255 4.550 0.001 0.000 0.287 1589 Y C 1.381 177.135 175.900 -0.244 0.000 1.156 1589 Y CA 1.838 59.761 58.100 -0.296 0.000 1.182 1589 Y CB -0.303 37.892 38.460 -0.441 0.000 0.979 1589 Y HN 0.189 nan 8.280 nan 0.000 0.521 1590 Y N -0.331 119.956 120.300 -0.021 0.000 2.163 1590 Y HA -0.225 4.325 4.550 0.001 0.000 0.288 1590 Y C 2.408 178.239 175.900 -0.114 0.000 1.136 1590 Y CA 1.530 59.592 58.100 -0.065 0.000 1.147 1590 Y CB -1.170 37.311 38.460 0.035 0.000 0.987 1590 Y HN 0.095 nan 8.280 nan 0.000 0.509 1591 L N -0.141 121.128 121.223 0.078 0.000 1.990 1591 L HA -0.283 4.058 4.340 0.001 0.000 0.213 1591 L C 2.048 178.893 176.870 -0.042 0.000 1.072 1591 L CA 1.762 56.617 54.840 0.026 0.000 0.755 1591 L CB -0.601 41.473 42.059 0.025 0.000 0.889 1591 L HN 0.152 nan 8.230 nan 0.000 0.432 1592 D N -0.233 120.095 120.400 -0.121 0.000 2.117 1592 D HA -0.171 4.470 4.640 0.001 0.000 0.197 1592 D C 2.206 178.389 176.300 -0.194 0.000 0.987 1592 D CA 1.459 55.362 54.000 -0.162 0.000 0.829 1592 D CB -0.216 40.459 40.800 -0.209 0.000 0.961 1592 D HN 0.364 nan 8.370 nan 0.000 0.460 1593 A N 1.113 123.735 122.820 -0.329 0.000 1.877 1593 A HA -0.194 4.127 4.320 0.001 0.000 0.216 1593 A C 1.824 179.377 177.584 -0.052 0.000 1.186 1593 A CA 1.756 53.635 52.037 -0.264 0.000 0.620 1593 A CB -0.530 18.242 19.000 -0.379 0.000 0.822 1593 A HN 0.024 nan 8.150 nan 0.000 0.443 1594 D N -0.618 119.777 120.400 -0.009 0.000 2.149 1594 D HA -0.169 4.472 4.640 0.001 0.000 0.198 1594 D C 1.855 178.195 176.300 0.067 0.000 0.990 1594 D CA 1.426 55.454 54.000 0.047 0.000 0.839 1594 D CB -0.323 40.507 40.800 0.050 0.000 0.948 1594 D HN 0.731 nan 8.370 nan 0.000 0.460 1595 E N 0.345 120.576 120.200 0.052 0.000 2.031 1595 E HA -0.178 4.172 4.350 0.001 0.000 0.193 1595 E C 2.005 178.708 176.600 0.173 0.000 0.994 1595 E CA 1.138 57.594 56.400 0.094 0.000 0.800 1595 E CB 0.012 29.746 29.700 0.057 0.000 0.752 1595 E HN 0.174 nan 8.360 nan 0.000 0.447 1596 A N 1.326 124.244 122.820 0.164 0.000 1.877 1596 A HA -0.195 4.125 4.320 0.001 0.000 0.216 1596 A C 2.022 179.772 177.584 0.276 0.000 1.186 1596 A CA 1.449 53.655 52.037 0.282 0.000 0.620 1596 A CB -0.521 18.604 19.000 0.209 0.000 0.822 1596 A HN 0.248 nan 8.150 nan 0.000 0.443 1597 E N -0.023 120.293 120.200 0.194 0.000 2.070 1597 E HA -0.226 4.125 4.350 0.001 0.000 0.197 1597 E C 2.339 179.035 176.600 0.159 0.000 1.004 1597 E CA 1.419 57.936 56.400 0.195 0.000 0.805 1597 E CB -0.557 29.243 29.700 0.168 0.000 0.744 1597 E HN 0.586 nan 8.360 nan 0.000 0.451 1598 A N 0.254 123.162 122.820 0.145 0.000 1.930 1598 A HA -0.171 4.150 4.320 0.001 0.000 0.217 1598 A C 2.007 179.659 177.584 0.113 0.000 1.175 1598 A CA 1.342 53.447 52.037 0.112 0.000 0.627 1598 A CB -0.984 18.079 19.000 0.105 0.000 0.815 1598 A HN 0.441 nan 8.150 nan 0.000 0.443 1599 W N 0.656 121.937 121.300 -0.031 0.000 2.379 1599 W HA -0.141 4.520 4.660 0.002 0.000 0.307 1599 W C 1.786 178.218 176.519 -0.145 0.000 1.200 1599 W CA 1.959 59.224 57.345 -0.135 0.000 1.297 1599 W CB -0.219 29.062 29.460 -0.297 0.000 1.140 1599 W HN 0.289 nan 8.180 nan 0.000 0.507 1600 I N 0.770 121.452 120.570 0.186 0.000 2.163 1600 I HA -0.265 3.906 4.170 0.001 0.000 0.243 1600 I C 2.671 178.726 176.117 -0.105 0.000 1.085 1600 I CA 1.654 62.995 61.300 0.067 0.000 1.347 1600 I CB -1.397 36.758 38.000 0.258 0.000 1.044 1600 I HN 0.204 nan 8.210 nan 0.000 0.408 1601 G N 0.621 109.385 108.800 -0.059 0.000 2.446 1601 G HA2 -0.357 3.604 3.960 0.001 0.000 0.217 1601 G HA3 -0.357 3.604 3.960 0.001 0.000 0.217 1601 G C 1.506 176.307 174.900 -0.163 0.000 1.168 1601 G CA 1.307 46.343 45.100 -0.106 0.000 0.771 1601 G HN 0.441 nan 8.290 nan 0.000 0.551 1602 E N 0.071 120.182 120.200 -0.148 0.000 2.051 1602 E HA -0.156 4.195 4.350 0.001 0.000 0.192 1602 E C 2.524 178.975 176.600 -0.248 0.000 0.991 1602 E CA 1.409 57.746 56.400 -0.104 0.000 0.799 1602 E CB -0.267 29.346 29.700 -0.144 0.000 0.748 1602 E HN 0.358 nan 8.360 nan 0.000 0.449 1603 Q N 0.295 119.812 119.800 -0.473 0.000 2.050 1603 Q HA -0.195 4.146 4.340 0.001 0.000 0.202 1603 Q C 2.173 177.997 176.000 -0.293 0.000 0.980 1603 Q CA 1.859 57.372 55.803 -0.484 0.000 0.840 1603 Q CB -0.324 27.978 28.738 -0.727 0.000 0.898 1603 Q HN 0.572 nan 8.270 nan 0.000 0.424 1604 E N 0.037 120.078 120.200 -0.266 0.000 2.072 1604 E HA -0.111 4.240 4.350 0.001 0.000 0.191 1604 E C 2.006 178.454 176.600 -0.254 0.000 0.985 1604 E CA 0.620 56.894 56.400 -0.211 0.000 0.801 1604 E CB 0.134 29.728 29.700 -0.177 0.000 0.750 1604 E HN 0.249 nan 8.360 nan 0.000 0.452 1605 L N -0.873 120.114 121.223 -0.393 0.000 2.221 1605 L HA -0.007 4.334 4.340 0.001 0.000 0.202 1605 L C 1.882 178.386 176.870 -0.610 0.000 1.074 1605 L CA 0.524 54.993 54.840 -0.619 0.000 0.795 1605 L CB -0.183 41.219 42.059 -1.096 0.000 0.960 1605 L HN 0.189 nan 8.230 nan 0.000 0.458 1606 Y N -1.516 118.720 120.300 -0.107 0.000 2.500 1606 Y HA 0.095 4.646 4.550 0.001 0.000 0.284 1606 Y C 2.280 178.122 175.900 -0.096 0.000 1.118 1606 Y CA -0.001 58.043 58.100 -0.094 0.000 1.241 1606 Y CB -0.611 37.793 38.460 -0.092 0.000 1.171 1606 Y HN -0.249 nan 8.280 nan 0.000 0.540 1607 V N 0.669 120.575 119.914 -0.013 0.000 2.239 1607 V HA -0.170 3.951 4.120 0.001 0.000 0.242 1607 V C 1.134 177.208 176.094 -0.033 0.000 1.038 1607 V CA 0.863 63.133 62.300 -0.050 0.000 1.002 1607 V CB -0.416 31.325 31.823 -0.137 0.000 0.641 1607 V HN 0.120 nan 8.190 nan 0.000 0.449 1608 I N 0.248 120.785 120.570 -0.055 0.000 2.836 1608 I HA 0.138 4.308 4.170 0.001 0.000 0.285 1608 I C 0.422 176.535 176.117 -0.008 0.000 1.174 1608 I CA 0.892 62.189 61.300 -0.005 0.000 1.405 1608 I CB 0.887 38.882 38.000 -0.007 0.000 1.385 1608 I HN 0.229 nan 8.210 nan 0.000 0.594 1609 S N 2.485 118.193 115.700 0.014 0.000 2.595 1609 S HA 0.369 4.840 4.470 0.001 0.000 0.281 1609 S C -0.338 174.252 174.600 -0.017 0.000 1.117 1609 S CA -0.692 57.509 58.200 0.001 0.000 0.873 1609 S CB 1.514 64.724 63.200 0.017 0.000 1.108 1609 S HN 0.589 nan 8.310 nan 0.000 0.477 1610 D N 1.443 121.831 120.400 -0.019 0.000 2.398 1610 D HA 0.213 4.854 4.640 0.001 0.000 0.210 1610 D C 0.066 176.353 176.300 -0.022 0.000 1.094 1610 D CA 0.046 54.028 54.000 -0.030 0.000 0.839 1610 D CB 0.331 41.112 40.800 -0.031 0.000 0.963 1610 D HN 0.607 nan 8.370 nan 0.000 0.506 1611 E N 0.498 120.692 120.200 -0.009 0.000 2.437 1611 E HA 0.104 4.455 4.350 0.001 0.000 0.263 1611 E C -0.095 176.507 176.600 0.005 0.000 1.030 1611 E CA 0.325 56.727 56.400 0.002 0.000 0.934 1611 E CB 0.870 30.576 29.700 0.011 0.000 0.943 1611 E HN 0.079 nan 8.360 nan 0.000 0.444 1612 I N 5.757 126.339 120.570 0.020 0.000 2.355 1612 I HA 0.227 4.398 4.170 0.001 0.000 0.288 1612 I C -2.002 174.162 176.117 0.078 0.000 0.999 1612 I CA -2.301 59.019 61.300 0.033 0.000 1.163 1612 I CB 1.425 39.438 38.000 0.022 0.000 1.316 1612 I HN 0.364 nan 8.210 nan 0.000 0.454 1613 P HA 0.108 nan 4.420 nan 0.000 0.268 1613 P C -0.121 177.342 177.300 0.272 0.000 1.204 1613 P CA -0.222 62.985 63.100 0.179 0.000 0.768 1613 P CB 1.145 32.992 31.700 0.245 0.000 0.842 1614 K N 0.922 121.421 120.400 0.165 0.000 2.167 1614 K HA -0.028 4.293 4.320 0.001 0.000 0.203 1614 K C 0.528 177.195 176.600 0.111 0.000 1.052 1614 K CA 1.213 57.597 56.287 0.163 0.000 0.956 1614 K CB 0.099 32.637 32.500 0.063 0.000 0.735 1614 K HN 0.687 nan 8.250 nan 0.000 0.451 1615 D N -2.171 118.070 120.400 -0.264 0.000 2.752 1615 D HA 0.010 4.650 4.640 0.001 0.000 0.313 1615 D C 0.432 175.933 176.300 -1.333 0.000 1.225 1615 D CA -0.727 52.631 54.000 -1.070 0.000 0.976 1615 D CB 0.472 40.977 40.800 -0.491 0.000 1.443 1615 D HN -0.158 nan 8.370 nan 0.000 0.515 1616 E N -0.330 119.128 120.200 -1.237 0.000 2.085 1616 E HA -0.281 4.070 4.350 0.001 0.000 0.194 1616 E C 1.443 177.982 176.600 -0.100 0.000 0.994 1616 E CA 1.451 57.600 56.400 -0.419 0.000 0.801 1616 E CB 0.122 29.766 29.700 -0.094 0.000 0.743 1616 E HN 0.569 nan 8.360 nan 0.000 0.453 1617 E N -0.663 119.446 120.200 -0.151 0.000 2.023 1617 E HA -0.186 4.165 4.350 0.001 0.000 0.196 1617 E C 2.015 178.576 176.600 -0.064 0.000 1.003 1617 E CA 1.527 57.880 56.400 -0.078 0.000 0.809 1617 E CB -0.440 29.210 29.700 -0.083 0.000 0.755 1617 E HN 0.364 nan 8.360 nan 0.000 0.449 1618 G N 0.218 108.970 108.800 -0.080 0.000 2.442 1618 G HA2 -0.295 3.666 3.960 0.001 0.000 0.219 1618 G HA3 -0.295 3.666 3.960 0.001 0.000 0.219 1618 G C 1.602 176.506 174.900 0.007 0.000 1.141 1618 G CA 1.018 46.101 45.100 -0.028 0.000 0.763 1618 G HN 0.437 nan 8.290 nan 0.000 0.554 1619 A N 0.923 123.773 122.820 0.049 0.000 1.873 1619 A HA 0.054 4.375 4.320 0.001 0.000 0.215 1619 A C 2.391 179.943 177.584 -0.052 0.000 1.186 1619 A CA 1.244 53.346 52.037 0.109 0.000 0.616 1619 A CB -0.324 18.888 19.000 0.353 0.000 0.823 1619 A HN 0.353 nan 8.150 nan 0.000 0.442 1620 I N -0.199 120.296 120.570 -0.126 0.000 2.091 1620 I HA -0.270 3.901 4.170 0.001 0.000 0.239 1620 I C 2.418 178.456 176.117 -0.132 0.000 1.061 1620 I CA 1.641 62.795 61.300 -0.243 0.000 1.317 1620 I CB -0.917 36.980 38.000 -0.172 0.000 1.031 1620 I HN 0.161 nan 8.210 nan 0.000 0.401 1621 V N 0.912 120.784 119.914 -0.071 0.000 2.231 1621 V HA -0.374 3.747 4.120 0.001 0.000 0.250 1621 V C 2.566 178.644 176.094 -0.027 0.000 1.058 1621 V CA 2.417 64.692 62.300 -0.041 0.000 1.022 1621 V CB -0.607 31.201 31.823 -0.025 0.000 0.640 1621 V HN 0.398 nan 8.190 nan 0.000 0.445 1622 M N -1.097 118.493 119.600 -0.017 0.000 2.149 1622 M HA -0.198 4.282 4.480 0.001 0.000 0.261 1622 M C 2.146 178.455 176.300 0.015 0.000 1.064 1622 M CA 1.856 57.158 55.300 0.005 0.000 1.102 1622 M CB -0.429 32.176 32.600 0.009 0.000 1.369 1622 M HN 0.372 nan 8.290 nan 0.000 0.408 1623 L N 0.356 121.562 121.223 -0.029 0.000 2.109 1623 L HA -0.129 4.212 4.340 0.001 0.000 0.207 1623 L C 2.282 179.157 176.870 0.009 0.000 1.086 1623 L CA 1.797 56.624 54.840 -0.021 0.000 0.760 1623 L CB -0.549 41.436 42.059 -0.124 0.000 0.910 1623 L HN 0.173 nan 8.230 nan 0.000 0.437 1624 K N -0.471 119.911 120.400 -0.030 0.000 2.057 1624 K HA -0.243 4.078 4.320 0.001 0.000 0.207 1624 K C 2.428 179.032 176.600 0.007 0.000 1.049 1624 K CA 1.532 57.808 56.287 -0.018 0.000 0.931 1624 K CB -0.206 32.273 32.500 -0.035 0.000 0.714 1624 K HN 0.278 nan 8.250 nan 0.000 0.440 1625 R N -0.411 120.100 120.500 0.018 0.000 2.073 1625 R HA -0.218 4.123 4.340 0.001 0.000 0.234 1625 R C 2.361 178.684 176.300 0.039 0.000 1.134 1625 R CA 2.090 58.205 56.100 0.025 0.000 0.952 1625 R CB -0.440 29.877 30.300 0.027 0.000 0.850 1625 R HN 0.401 nan 8.270 nan 0.000 0.433 1626 H N 0.210 119.267 119.070 -0.020 0.000 2.353 1626 H HA -0.071 4.485 4.556 0.001 0.000 0.300 1626 H C 1.906 177.230 175.328 -0.008 0.000 1.090 1626 H CA 2.149 58.187 56.048 -0.017 0.000 1.327 1626 H CB -0.140 29.609 29.762 -0.022 0.000 1.383 1626 H HN 0.183 nan 8.280 nan 0.000 0.508 1627 L N -0.480 120.737 121.223 -0.010 0.000 2.046 1627 L HA -0.157 4.184 4.340 0.001 0.000 0.208 1627 L C 2.713 179.538 176.870 -0.075 0.000 1.077 1627 L CA 1.367 56.176 54.840 -0.052 0.000 0.747 1627 L CB -0.388 41.679 42.059 0.013 0.000 0.896 1627 L HN 0.150 nan 8.230 nan 0.000 0.432 1628 R N 0.233 120.707 120.500 -0.044 0.000 2.112 1628 R HA -0.218 4.123 4.340 0.001 0.000 0.242 1628 R C 2.396 178.670 176.300 -0.043 0.000 1.137 1628 R CA 1.778 57.862 56.100 -0.027 0.000 0.944 1628 R CB -0.489 29.804 30.300 -0.012 0.000 0.857 1628 R HN 0.444 nan 8.270 nan 0.000 0.435 1629 Q N -0.569 119.175 119.800 -0.093 0.000 2.084 1629 Q HA -0.231 4.109 4.340 0.001 0.000 0.202 1629 Q C 2.194 178.121 176.000 -0.121 0.000 0.978 1629 Q CA 1.650 57.392 55.803 -0.103 0.000 0.844 1629 Q CB -0.148 28.508 28.738 -0.137 0.000 0.898 1629 Q HN 0.457 nan 8.270 nan 0.000 0.426 1630 Q N 0.926 120.580 119.800 -0.244 0.000 2.084 1630 Q HA -0.162 4.179 4.340 0.001 0.000 0.202 1630 Q C 2.043 178.027 176.000 -0.028 0.000 0.978 1630 Q CA 1.101 56.797 55.803 -0.180 0.000 0.844 1630 Q CB 0.132 28.720 28.738 -0.249 0.000 0.898 1630 Q HN 0.243 nan 8.270 nan 0.000 0.426 1631 R N -0.338 120.153 120.500 -0.015 0.000 2.105 1631 R HA -0.152 4.189 4.340 0.001 0.000 0.239 1631 R C 2.248 178.601 176.300 0.089 0.000 1.135 1631 R CA 1.157 57.279 56.100 0.036 0.000 0.967 1631 R CB -0.344 29.971 30.300 0.025 0.000 0.861 1631 R HN 0.316 nan 8.270 nan 0.000 0.442 1632 A N 0.485 123.370 122.820 0.108 0.000 1.930 1632 A HA -0.090 4.231 4.320 0.001 0.000 0.217 1632 A C 2.341 180.130 177.584 0.342 0.000 1.175 1632 A CA 1.131 53.289 52.037 0.203 0.000 0.627 1632 A CB -0.426 18.701 19.000 0.212 0.000 0.815 1632 A HN 0.113 nan 8.150 nan 0.000 0.443 1633 V N 0.022 120.131 119.914 0.324 0.000 2.295 1633 V HA -0.261 3.860 4.120 0.001 0.000 0.246 1633 V C 2.612 178.959 176.094 0.422 0.000 1.049 1633 V CA 2.521 65.098 62.300 0.462 0.000 1.024 1633 V CB -0.633 31.321 31.823 0.218 0.000 0.648 1633 V HN 0.746 nan 8.190 nan 0.000 0.447 1634 E N 0.753 121.101 120.200 0.247 0.000 2.049 1634 E HA -0.272 4.079 4.350 0.001 0.000 0.198 1634 E C 1.741 178.464 176.600 0.206 0.000 1.007 1634 E CA 2.175 58.702 56.400 0.211 0.000 0.809 1634 E CB -0.445 29.325 29.700 0.117 0.000 0.749 1634 E HN 0.645 nan 8.360 nan 0.000 0.450 1635 D N -1.170 119.323 120.400 0.156 0.000 2.149 1635 D HA -0.181 4.460 4.640 0.001 0.000 0.198 1635 D C 1.441 177.754 176.300 0.022 0.000 0.990 1635 D CA 1.061 55.109 54.000 0.081 0.000 0.839 1635 D CB -0.316 40.528 40.800 0.072 0.000 0.948 1635 D HN 0.277 nan 8.370 nan 0.000 0.460 1636 Y N 0.986 121.231 120.300 -0.091 0.000 2.403 1636 Y HA -0.091 4.460 4.550 0.001 0.000 0.291 1636 Y C 2.351 178.056 175.900 -0.326 0.000 1.143 1636 Y CA 1.383 59.284 58.100 -0.333 0.000 1.257 1636 Y CB -0.474 37.617 38.460 -0.614 0.000 0.984 1636 Y HN -0.005 nan 8.280 nan 0.000 0.550 1637 G N -0.118 108.653 108.800 -0.048 0.000 2.507 1637 G HA2 -0.350 3.611 3.960 0.001 0.000 0.221 1637 G HA3 -0.350 3.611 3.960 0.001 0.000 0.221 1637 G C 1.875 176.640 174.900 -0.225 0.000 1.119 1637 G CA 1.051 46.062 45.100 -0.149 0.000 0.751 1637 G HN 0.343 nan 8.290 nan 0.000 0.574 1638 R N 0.055 120.428 120.500 -0.212 0.000 2.083 1638 R HA -0.104 4.237 4.340 0.001 0.000 0.237 1638 R C 2.572 178.690 176.300 -0.303 0.000 1.137 1638 R CA 1.674 57.645 56.100 -0.215 0.000 0.951 1638 R CB -0.326 29.859 30.300 -0.191 0.000 0.851 1638 R HN 0.385 nan 8.270 nan 0.000 0.434 1639 N N 0.179 118.581 118.700 -0.496 0.000 2.120 1639 N HA -0.142 4.599 4.740 0.001 0.000 0.188 1639 N C 1.647 176.918 175.510 -0.399 0.000 1.024 1639 N CA 1.189 53.911 53.050 -0.547 0.000 0.852 1639 N CB -0.134 37.756 38.487 -0.996 0.000 1.003 1639 N HN 0.106 nan 8.380 nan 0.000 0.424 1640 I N 1.331 121.642 120.570 -0.432 0.000 2.163 1640 I HA -0.244 3.926 4.170 0.001 0.000 0.243 1640 I C 1.870 177.878 176.117 -0.182 0.000 1.085 1640 I CA 1.435 62.547 61.300 -0.313 0.000 1.347 1640 I CB -0.973 36.723 38.000 -0.506 0.000 1.044 1640 I HN 0.214 nan 8.210 nan 0.000 0.408 1641 K N 0.380 120.677 120.400 -0.171 0.000 2.026 1641 K HA -0.213 4.108 4.320 0.001 0.000 0.208 1641 K C 2.167 178.715 176.600 -0.087 0.000 1.048 1641 K CA 1.376 57.605 56.287 -0.097 0.000 0.929 1641 K CB -0.218 32.234 32.500 -0.080 0.000 0.713 1641 K HN 0.355 nan 8.250 nan 0.000 0.439 1642 Q N 0.800 120.528 119.800 -0.119 0.000 2.096 1642 Q HA -0.141 4.200 4.340 0.001 0.000 0.204 1642 Q C 2.168 178.131 176.000 -0.062 0.000 0.982 1642 Q CA 1.314 57.058 55.803 -0.099 0.000 0.850 1642 Q CB -0.086 28.572 28.738 -0.132 0.000 0.901 1642 Q HN 0.257 nan 8.270 nan 0.000 0.422 1643 L N -0.342 120.841 121.223 -0.068 0.000 2.017 1643 L HA -0.238 4.103 4.340 0.001 0.000 0.208 1643 L C 2.425 179.353 176.870 0.096 0.000 1.073 1643 L CA 1.155 56.010 54.840 0.025 0.000 0.745 1643 L CB -0.544 41.498 42.059 -0.029 0.000 0.894 1643 L HN 0.261 nan 8.230 nan 0.000 0.432 1644 A N -1.123 121.713 122.820 0.026 0.000 1.883 1644 A HA -0.275 4.046 4.320 0.001 0.000 0.217 1644 A C 2.524 180.100 177.584 -0.014 0.000 1.186 1644 A CA 2.209 54.255 52.037 0.014 0.000 0.624 1644 A CB -0.891 18.107 19.000 -0.003 0.000 0.822 1644 A HN 0.414 nan 8.150 nan 0.000 0.444 1645 S N -0.821 114.864 115.700 -0.025 0.000 2.382 1645 S HA -0.186 4.284 4.470 0.001 0.000 0.228 1645 S C 2.177 176.749 174.600 -0.046 0.000 1.027 1645 S CA 1.545 59.723 58.200 -0.036 0.000 0.991 1645 S CB -0.330 62.848 63.200 -0.038 0.000 0.823 1645 S HN 0.592 nan 8.310 nan 0.000 0.469 1646 R N 0.396 120.877 120.500 -0.032 0.000 2.092 1646 R HA 0.064 4.405 4.340 0.001 0.000 0.231 1646 R C 2.641 178.859 176.300 -0.136 0.000 1.119 1646 R CA 1.248 57.321 56.100 -0.045 0.000 0.970 1646 R CB -0.513 29.801 30.300 0.022 0.000 0.864 1646 R HN 0.508 nan 8.270 nan 0.000 0.440 1647 A N 0.471 123.183 122.820 -0.180 0.000 1.873 1647 A HA -0.218 4.103 4.320 0.001 0.000 0.215 1647 A C 2.063 179.503 177.584 -0.239 0.000 1.186 1647 A CA 1.266 53.065 52.037 -0.397 0.000 0.616 1647 A CB -0.424 18.349 19.000 -0.377 0.000 0.823 1647 A HN 0.178 nan 8.150 nan 0.000 0.442 1648 Q N -0.034 119.684 119.800 -0.135 0.000 2.135 1648 Q HA -0.065 4.276 4.340 0.001 0.000 0.204 1648 Q C 1.936 177.884 176.000 -0.086 0.000 0.981 1648 Q CA 1.963 57.711 55.803 -0.092 0.000 0.856 1648 Q CB -0.951 27.752 28.738 -0.058 0.000 0.902 1648 Q HN 0.559 nan 8.270 nan 0.000 0.425 1649 G N -0.026 108.720 108.800 -0.091 0.000 2.421 1649 G HA2 -0.220 3.741 3.960 0.001 0.000 0.216 1649 G HA3 -0.220 3.741 3.960 0.001 0.000 0.216 1649 G C 1.343 176.190 174.900 -0.088 0.000 1.171 1649 G CA 0.842 45.897 45.100 -0.076 0.000 0.775 1649 G HN 0.380 nan 8.290 nan 0.000 0.543 1650 L N -0.327 120.810 121.223 -0.143 0.000 2.046 1650 L HA -0.039 4.302 4.340 0.001 0.000 0.208 1650 L C 2.708 179.525 176.870 -0.088 0.000 1.077 1650 L CA 0.746 55.490 54.840 -0.159 0.000 0.747 1650 L CB -0.404 41.461 42.059 -0.324 0.000 0.896 1650 L HN 0.274 nan 8.230 nan 0.000 0.432 1651 L N -0.156 121.005 121.223 -0.105 0.000 1.994 1651 L HA -0.206 4.135 4.340 0.001 0.000 0.208 1651 L C 2.828 179.681 176.870 -0.028 0.000 1.071 1651 L CA 2.246 57.053 54.840 -0.055 0.000 0.745 1651 L CB -0.679 41.340 42.059 -0.066 0.000 0.892 1651 L HN 0.353 nan 8.230 nan 0.000 0.431 1652 S N -0.204 115.474 115.700 -0.037 0.000 2.419 1652 S HA -0.134 4.337 4.470 0.001 0.000 0.235 1652 S C 1.921 176.512 174.600 -0.014 0.000 1.019 1652 S CA 0.837 59.023 58.200 -0.024 0.000 0.982 1652 S CB -0.983 62.200 63.200 -0.027 0.000 0.789 1652 S HN 0.544 nan 8.310 nan 0.000 0.490 1653 A N 0.592 123.405 122.820 -0.011 0.000 2.235 1653 A HA 0.523 4.843 4.320 0.001 0.000 0.208 1653 A C 1.762 179.357 177.584 0.018 0.000 1.172 1653 A CA 0.607 52.646 52.037 0.003 0.000 0.786 1653 A CB -1.381 17.622 19.000 0.005 0.000 0.804 1653 A HN 1.618 nan 8.150 nan 0.000 0.479 1654 G N -0.984 107.826 108.800 0.018 0.000 2.153 1654 G HA2 -0.307 3.654 3.960 0.001 0.000 0.252 1654 G HA3 -0.307 3.654 3.960 0.001 0.000 0.252 1654 G C 0.156 175.070 174.900 0.024 0.000 0.994 1654 G CA 0.362 45.470 45.100 0.014 0.000 0.698 1654 G HN 0.884 nan 8.290 nan 0.000 0.521 1655 H N 1.178 120.228 119.070 -0.034 0.000 3.001 1655 H HA 0.117 4.674 4.556 0.001 0.000 0.334 1655 H C -0.560 174.758 175.328 -0.016 0.000 1.034 1655 H CA -0.107 55.924 56.048 -0.028 0.000 1.420 1655 H CB 1.011 30.745 29.762 -0.047 0.000 1.405 1655 H HN 0.096 nan 8.280 nan 0.000 0.593 1656 P HA -0.149 nan 4.420 nan 0.000 0.217 1656 P C 0.718 178.053 177.300 0.058 0.000 1.148 1656 P CA 1.358 64.385 63.100 -0.121 0.000 0.828 1656 P CB 0.308 31.882 31.700 -0.210 0.000 0.783 1657 E N -1.354 119.014 120.200 0.281 0.000 2.489 1657 E HA 0.081 4.431 4.350 0.001 0.000 0.193 1657 E C 2.048 178.746 176.600 0.162 0.000 1.057 1657 E CA 0.356 56.920 56.400 0.274 0.000 0.866 1657 E CB -1.074 28.855 29.700 0.382 0.000 0.916 1657 E HN 0.146 nan 8.360 nan 0.000 0.500 1658 G N 1.198 110.075 108.800 0.129 0.000 2.606 1658 G HA2 -0.449 3.512 3.960 0.001 0.000 0.221 1658 G HA3 -0.449 3.512 3.960 0.001 0.000 0.221 1658 G C 1.460 176.366 174.900 0.009 0.000 1.152 1658 G CA 1.335 46.451 45.100 0.026 0.000 0.765 1658 G HN 0.406 nan 8.290 nan 0.000 0.595 1659 E N -0.287 119.933 120.200 0.033 0.000 2.038 1659 E HA -0.220 4.131 4.350 0.001 0.000 0.195 1659 E C 2.476 179.102 176.600 0.044 0.000 1.000 1659 E CA 1.467 57.885 56.400 0.030 0.000 0.803 1659 E CB -0.242 29.478 29.700 0.034 0.000 0.750 1659 E HN 0.636 nan 8.360 nan 0.000 0.448 1660 Q N 0.153 119.999 119.800 0.076 0.000 2.030 1660 Q HA -0.191 4.150 4.340 0.001 0.000 0.204 1660 Q C 2.304 178.380 176.000 0.128 0.000 0.986 1660 Q CA 1.926 57.798 55.803 0.116 0.000 0.843 1660 Q CB -0.118 28.721 28.738 0.170 0.000 0.904 1660 Q HN 0.379 nan 8.270 nan 0.000 0.420 1661 I N 0.391 120.999 120.570 0.065 0.000 2.163 1661 I HA -0.306 3.865 4.170 0.001 0.000 0.243 1661 I C 2.102 178.164 176.117 -0.092 0.000 1.085 1661 I CA 0.717 61.960 61.300 -0.094 0.000 1.347 1661 I CB -0.242 37.510 38.000 -0.413 0.000 1.044 1661 I HN 0.328 nan 8.210 nan 0.000 0.408 1662 I N 0.527 121.055 120.570 -0.071 0.000 2.286 1662 I HA -0.272 3.899 4.170 0.001 0.000 0.248 1662 I C 2.634 178.759 176.117 0.012 0.000 1.115 1662 I CA 1.450 62.725 61.300 -0.041 0.000 1.392 1662 I CB -1.180 36.799 38.000 -0.036 0.000 1.065 1662 I HN 0.288 nan 8.210 nan 0.000 0.418 1663 R N 0.742 121.262 120.500 0.034 0.000 2.083 1663 R HA -0.161 4.180 4.340 0.001 0.000 0.237 1663 R C 2.402 178.741 176.300 0.066 0.000 1.137 1663 R CA 1.323 57.450 56.100 0.046 0.000 0.951 1663 R CB -0.186 30.146 30.300 0.053 0.000 0.851 1663 R HN 0.275 nan 8.270 nan 0.000 0.434 1664 L N 0.376 121.672 121.223 0.122 0.000 2.046 1664 L HA -0.204 4.137 4.340 0.001 0.000 0.208 1664 L C 2.664 179.627 176.870 0.156 0.000 1.077 1664 L CA 1.376 56.320 54.840 0.173 0.000 0.747 1664 L CB -0.415 41.839 42.059 0.326 0.000 0.896 1664 L HN 0.310 nan 8.230 nan 0.000 0.432 1665 Q N 0.255 120.163 119.800 0.180 0.000 2.084 1665 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 1665 Q C 2.056 178.089 176.000 0.055 0.000 0.978 1665 Q CA 1.875 57.767 55.803 0.147 0.000 0.844 1665 Q CB -0.643 28.163 28.738 0.114 0.000 0.898 1665 Q HN 0.418 nan 8.270 nan 0.000 0.426 1666 G N 0.099 108.917 108.800 0.030 0.000 2.513 1666 G HA2 -0.348 3.613 3.960 0.001 0.000 0.219 1666 G HA3 -0.348 3.613 3.960 0.001 0.000 0.219 1666 G C 1.333 176.200 174.900 -0.055 0.000 1.160 1666 G CA 1.021 46.119 45.100 -0.002 0.000 0.767 1666 G HN 0.453 nan 8.290 nan 0.000 0.571 1667 Q N -0.499 119.245 119.800 -0.094 0.000 2.079 1667 Q HA -0.020 4.320 4.340 0.001 0.000 0.200 1667 Q C 2.924 178.696 176.000 -0.381 0.000 0.974 1667 Q CA 1.143 56.761 55.803 -0.308 0.000 0.840 1667 Q CB -0.160 28.441 28.738 -0.228 0.000 0.898 1667 Q HN 0.399 nan 8.270 nan 0.000 0.430 1668 V N 1.562 121.418 119.914 -0.096 0.000 2.295 1668 V HA -0.270 3.850 4.120 0.001 0.000 0.246 1668 V C 1.622 177.765 176.094 0.082 0.000 1.049 1668 V CA 1.947 64.263 62.300 0.027 0.000 1.024 1668 V CB -0.503 31.354 31.823 0.056 0.000 0.648 1668 V HN 0.341 nan 8.190 nan 0.000 0.447 1669 D N -0.056 120.377 120.400 0.055 0.000 2.092 1669 D HA -0.208 4.432 4.640 0.001 0.000 0.193 1669 D C 2.142 178.519 176.300 0.128 0.000 0.994 1669 D CA 1.733 55.801 54.000 0.113 0.000 0.828 1669 D CB -0.244 40.596 40.800 0.067 0.000 0.963 1669 D HN 0.442 nan 8.370 nan 0.000 0.450 1670 K N 0.153 120.566 120.400 0.023 0.000 2.009 1670 K HA -0.185 4.135 4.320 0.001 0.000 0.210 1670 K C 2.092 178.785 176.600 0.155 0.000 1.049 1670 K CA 1.434 57.744 56.287 0.038 0.000 0.929 1670 K CB -0.206 32.269 32.500 -0.041 0.000 0.714 1670 K HN 0.345 nan 8.250 nan 0.000 0.440 1671 H N -1.934 117.206 119.070 0.118 0.000 2.387 1671 H HA -0.172 4.385 4.556 0.001 0.000 0.299 1671 H C 1.972 177.397 175.328 0.162 0.000 1.090 1671 H CA 1.315 57.432 56.048 0.115 0.000 1.332 1671 H CB -0.077 29.752 29.762 0.112 0.000 1.386 1671 H HN 0.310 nan 8.280 nan 0.000 0.516 1672 Y N 1.399 121.817 120.300 0.198 0.000 2.242 1672 Y HA -0.121 4.430 4.550 0.001 0.000 0.291 1672 Y C 2.510 178.487 175.900 0.129 0.000 1.137 1672 Y CA 0.815 59.019 58.100 0.173 0.000 1.181 1672 Y CB -0.420 38.144 38.460 0.173 0.000 0.989 1672 Y HN 0.150 nan 8.280 nan 0.000 0.527 1673 A N 0.069 122.918 122.820 0.048 0.000 1.902 1673 A HA -0.064 4.257 4.320 0.001 0.000 0.217 1673 A C 2.501 180.046 177.584 -0.065 0.000 1.181 1673 A CA 1.613 53.612 52.037 -0.063 0.000 0.623 1673 A CB -1.656 17.362 19.000 0.030 0.000 0.818 1673 A HN 0.567 nan 8.150 nan 0.000 0.443 1674 G N 0.173 108.981 108.800 0.012 0.000 2.446 1674 G HA2 -0.195 3.766 3.960 0.001 0.000 0.217 1674 G HA3 -0.195 3.766 3.960 0.001 0.000 0.217 1674 G C 1.504 176.381 174.900 -0.039 0.000 1.168 1674 G CA 1.324 46.428 45.100 0.006 0.000 0.771 1674 G HN 0.600 nan 8.290 nan 0.000 0.551 1675 L N 0.731 121.925 121.223 -0.048 0.000 1.989 1675 L HA -0.028 4.313 4.340 0.001 0.000 0.211 1675 L C 2.620 179.416 176.870 -0.124 0.000 1.071 1675 L CA 2.334 57.125 54.840 -0.081 0.000 0.749 1675 L CB -0.718 41.315 42.059 -0.042 0.000 0.890 1675 L HN 0.142 nan 8.230 nan 0.000 0.431 1676 K N -0.414 119.851 120.400 -0.225 0.000 2.152 1676 K HA -0.189 4.132 4.320 0.001 0.000 0.206 1676 K C 1.774 178.322 176.600 -0.087 0.000 1.048 1676 K CA 1.561 57.736 56.287 -0.186 0.000 0.933 1676 K CB -0.342 31.999 32.500 -0.266 0.000 0.721 1676 K HN 0.494 nan 8.250 nan 0.000 0.447 1677 D N 0.429 120.787 120.400 -0.071 0.000 2.097 1677 D HA -0.119 4.522 4.640 0.001 0.000 0.197 1677 D C 2.001 178.284 176.300 -0.029 0.000 0.984 1677 D CA 0.813 54.790 54.000 -0.038 0.000 0.826 1677 D CB -0.381 40.401 40.800 -0.029 0.000 0.973 1677 D HN -0.106 nan 8.370 nan 0.000 0.460 1678 V N 1.514 121.406 119.914 -0.036 0.000 2.324 1678 V HA -0.294 3.827 4.120 0.001 0.000 0.250 1678 V C 2.474 178.569 176.094 0.002 0.000 1.060 1678 V CA 2.013 64.295 62.300 -0.030 0.000 1.042 1678 V CB -0.721 31.074 31.823 -0.047 0.000 0.650 1678 V HN 0.206 nan 8.190 nan 0.000 0.450 1679 A N -1.418 121.417 122.820 0.026 0.000 1.930 1679 A HA -0.226 4.095 4.320 0.001 0.000 0.217 1679 A C 2.317 179.993 177.584 0.153 0.000 1.175 1679 A CA 2.002 54.118 52.037 0.132 0.000 0.627 1679 A CB -0.956 18.084 19.000 0.068 0.000 0.815 1679 A HN 0.613 nan 8.150 nan 0.000 0.443 1680 C N -0.996 118.342 119.300 0.064 0.000 2.440 1680 C HA -0.022 4.439 4.460 0.001 0.000 0.278 1680 C C 2.649 177.647 174.990 0.013 0.000 1.295 1680 C CA 1.202 60.251 59.018 0.051 0.000 1.738 1680 C CB -0.904 26.850 27.740 0.023 0.000 1.987 1680 C HN 0.747 nan 8.230 nan 0.000 0.492 1681 E N 1.643 121.837 120.200 -0.010 0.000 2.031 1681 E HA -0.221 4.130 4.350 0.001 0.000 0.193 1681 E C 2.264 178.818 176.600 -0.076 0.000 0.994 1681 E CA 1.605 57.981 56.400 -0.039 0.000 0.800 1681 E CB -0.352 29.323 29.700 -0.041 0.000 0.752 1681 E HN 0.433 nan 8.360 nan 0.000 0.447 1682 R N 1.108 121.547 120.500 -0.101 0.000 2.103 1682 R HA -0.133 4.208 4.340 0.001 0.000 0.242 1682 R C 2.257 178.355 176.300 -0.336 0.000 1.142 1682 R CA 2.235 58.205 56.100 -0.216 0.000 0.960 1682 R CB -0.484 29.674 30.300 -0.237 0.000 0.858 1682 R HN 0.199 nan 8.270 nan 0.000 0.439 1683 K N 0.064 120.299 120.400 -0.276 0.000 2.026 1683 K HA -0.198 4.123 4.320 0.001 0.000 0.208 1683 K C 2.247 178.796 176.600 -0.085 0.000 1.048 1683 K CA 1.734 57.917 56.287 -0.173 0.000 0.929 1683 K CB -0.244 32.299 32.500 0.072 0.000 0.713 1683 K HN 0.198 nan 8.250 nan 0.000 0.439 1684 R N 0.942 121.410 120.500 -0.052 0.000 2.091 1684 R HA -0.189 4.152 4.340 0.001 0.000 0.238 1684 R C 2.195 178.459 176.300 -0.059 0.000 1.136 1684 R CA 2.022 58.106 56.100 -0.027 0.000 0.959 1684 R CB -0.095 30.190 30.300 -0.025 0.000 0.856 1684 R HN 0.061 nan 8.270 nan 0.000 0.437 1685 K N 0.206 120.545 120.400 -0.102 0.000 2.097 1685 K HA -0.033 4.288 4.320 0.001 0.000 0.205 1685 K C 2.099 178.632 176.600 -0.111 0.000 1.050 1685 K CA 1.006 57.217 56.287 -0.126 0.000 0.938 1685 K CB -0.002 32.420 32.500 -0.130 0.000 0.718 1685 K HN 0.175 nan 8.250 nan 0.000 0.442 1686 L N 0.434 121.589 121.223 -0.114 0.000 2.056 1686 L HA -0.154 4.187 4.340 0.001 0.000 0.207 1686 L C 2.194 179.045 176.870 -0.031 0.000 1.078 1686 L CA 1.364 56.159 54.840 -0.075 0.000 0.749 1686 L CB -0.364 41.625 42.059 -0.117 0.000 0.901 1686 L HN 0.295 nan 8.230 nan 0.000 0.433 1687 E N 0.109 120.285 120.200 -0.039 0.000 2.097 1687 E HA -0.242 4.108 4.350 0.001 0.000 0.196 1687 E C 1.894 178.454 176.600 -0.066 0.000 1.000 1687 E CA 1.427 57.794 56.400 -0.055 0.000 0.804 1687 E CB -0.008 29.732 29.700 0.066 0.000 0.740 1687 E HN 0.448 nan 8.360 nan 0.000 0.454 1688 N N 0.136 118.849 118.700 0.023 0.000 2.106 1688 N HA -0.107 4.634 4.740 0.001 0.000 0.188 1688 N C 1.735 177.306 175.510 0.102 0.000 1.029 1688 N CA 1.159 54.253 53.050 0.073 0.000 0.848 1688 N CB -0.150 38.206 38.487 -0.218 0.000 1.007 1688 N HN 0.182 nan 8.380 nan 0.000 0.423 1689 M N -0.721 118.873 119.600 -0.010 0.000 2.229 1689 M HA -0.145 4.336 4.480 0.001 0.000 0.264 1689 M C 1.880 178.221 176.300 0.067 0.000 1.063 1689 M CA 1.112 56.383 55.300 -0.049 0.000 1.114 1689 M CB -0.288 32.282 32.600 -0.051 0.000 1.387 1689 M HN 0.150 nan 8.290 nan 0.000 0.420 1690 Y N 0.816 121.128 120.300 0.019 0.000 2.133 1690 Y HA -0.235 4.316 4.550 0.001 0.000 0.287 1690 Y C 2.452 178.450 175.900 0.165 0.000 1.134 1690 Y CA 1.671 59.839 58.100 0.112 0.000 1.133 1690 Y CB -0.749 37.667 38.460 -0.073 0.000 0.987 1690 Y HN 0.237 nan 8.280 nan 0.000 0.502 1691 H N -0.305 118.799 119.070 0.056 0.000 2.422 1691 H HA -0.144 4.413 4.556 0.001 0.000 0.298 1691 H C 2.293 177.626 175.328 0.008 0.000 1.098 1691 H CA 1.573 57.630 56.048 0.015 0.000 1.315 1691 H CB -0.721 29.144 29.762 0.172 0.000 1.382 1691 H HN 0.416 nan 8.280 nan 0.000 0.523 1692 L N 0.071 121.344 121.223 0.083 0.000 2.083 1692 L HA -0.131 4.210 4.340 0.001 0.000 0.209 1692 L C 1.997 178.906 176.870 0.065 0.000 1.083 1692 L CA 1.194 56.022 54.840 -0.021 0.000 0.752 1692 L CB -0.574 41.420 42.059 -0.110 0.000 0.899 1692 L HN -0.061 nan 8.230 nan 0.000 0.433 1693 F N -0.241 119.783 119.950 0.125 0.000 2.113 1693 F HA -0.200 4.327 4.527 0.001 0.000 0.297 1693 F C 2.724 178.565 175.800 0.069 0.000 1.103 1693 F CA 1.681 59.743 58.000 0.105 0.000 1.248 1693 F CB -0.982 38.085 39.000 0.113 0.000 0.999 1693 F HN 0.202 nan 8.300 nan 0.000 0.475 1694 Q N 0.089 120.021 119.800 0.220 0.000 2.045 1694 Q HA -0.253 4.088 4.340 0.001 0.000 0.206 1694 Q C 2.256 178.397 176.000 0.234 0.000 0.991 1694 Q CA 1.991 57.879 55.803 0.141 0.000 0.851 1694 Q CB -0.475 28.295 28.738 0.054 0.000 0.911 1694 Q HN 0.395 nan 8.270 nan 0.000 0.418 1695 L N 1.074 122.472 121.223 0.290 0.000 2.083 1695 L HA -0.189 4.151 4.340 0.001 0.000 0.209 1695 L C 2.183 179.129 176.870 0.127 0.000 1.083 1695 L CA 2.081 57.061 54.840 0.232 0.000 0.752 1695 L CB -0.490 41.542 42.059 -0.046 0.000 0.899 1695 L HN 0.140 nan 8.230 nan 0.000 0.433 1696 K N -0.746 119.714 120.400 0.100 0.000 2.217 1696 K HA -0.181 4.140 4.320 0.001 0.000 0.202 1696 K C 2.382 178.925 176.600 -0.094 0.000 1.051 1696 K CA 0.908 57.096 56.287 -0.164 0.000 0.952 1696 K CB -0.094 32.282 32.500 -0.207 0.000 0.736 1696 K HN 0.349 nan 8.250 nan 0.000 0.453 1697 R N 0.858 121.369 120.500 0.018 0.000 2.062 1697 R HA -0.106 4.234 4.340 0.001 0.000 0.229 1697 R C 1.893 178.188 176.300 -0.008 0.000 1.128 1697 R CA 1.661 57.766 56.100 0.008 0.000 0.960 1697 R CB -0.032 30.293 30.300 0.041 0.000 0.855 1697 R HN 0.242 nan 8.270 nan 0.000 0.432 1698 E N -0.878 119.336 120.200 0.023 0.000 2.085 1698 E HA -0.172 4.178 4.350 0.001 0.000 0.194 1698 E C 1.791 178.375 176.600 -0.027 0.000 0.994 1698 E CA 2.046 58.451 56.400 0.007 0.000 0.801 1698 E CB 0.051 29.785 29.700 0.056 0.000 0.743 1698 E HN 0.309 nan 8.360 nan 0.000 0.453 1699 T N 0.742 115.271 114.554 -0.041 0.000 2.737 1699 T HA -0.133 4.218 4.350 0.001 0.000 0.265 1699 T C 1.177 175.817 174.700 -0.099 0.000 1.038 1699 T CA 1.381 63.432 62.100 -0.081 0.000 1.144 1699 T CB -0.305 68.474 68.868 -0.148 0.000 0.866 1699 T HN 0.124 nan 8.240 nan 0.000 0.434 1700 D N 1.320 121.642 120.400 -0.130 0.000 2.123 1700 D HA -0.101 4.540 4.640 0.001 0.000 0.196 1700 D C 2.004 178.287 176.300 -0.028 0.000 0.992 1700 D CA 0.956 54.898 54.000 -0.096 0.000 0.833 1700 D CB -0.395 40.344 40.800 -0.102 0.000 0.954 1700 D HN 0.341 nan 8.370 nan 0.000 0.455 1701 D N 0.023 120.412 120.400 -0.019 0.000 2.097 1701 D HA -0.119 4.522 4.640 0.001 0.000 0.195 1701 D C 2.194 178.524 176.300 0.051 0.000 0.989 1701 D CA 0.374 54.383 54.000 0.014 0.000 0.827 1701 D CB -0.273 40.523 40.800 -0.008 0.000 0.966 1701 D HN 0.128 nan 8.370 nan 0.000 0.456 1702 L N 1.596 122.819 121.223 0.001 0.000 2.046 1702 L HA -0.143 4.198 4.340 0.001 0.000 0.208 1702 L C 1.897 178.852 176.870 0.141 0.000 1.077 1702 L CA 1.743 56.591 54.840 0.013 0.000 0.747 1702 L CB -0.519 41.488 42.059 -0.086 0.000 0.896 1702 L HN -0.035 nan 8.230 nan 0.000 0.432 1703 E N -1.082 119.168 120.200 0.083 0.000 2.150 1703 E HA -0.279 4.071 4.350 0.001 0.000 0.193 1703 E C 2.049 178.726 176.600 0.129 0.000 0.985 1703 E CA 1.084 57.547 56.400 0.104 0.000 0.814 1703 E CB -0.091 29.633 29.700 0.040 0.000 0.752 1703 E HN 0.619 nan 8.360 nan 0.000 0.466 1704 Q N 0.384 120.253 119.800 0.115 0.000 2.084 1704 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 1704 Q C 1.762 177.865 176.000 0.173 0.000 0.978 1704 Q CA 1.626 57.497 55.803 0.113 0.000 0.844 1704 Q CB -0.424 28.368 28.738 0.090 0.000 0.898 1704 Q HN 0.402 nan 8.270 nan 0.000 0.426 1705 W N 0.642 121.954 121.300 0.020 0.000 2.335 1705 W HA -0.172 4.489 4.660 0.001 0.000 0.311 1705 W C 1.664 178.223 176.519 0.068 0.000 1.213 1705 W CA 2.057 59.422 57.345 0.033 0.000 1.274 1705 W CB -0.325 29.140 29.460 0.008 0.000 1.148 1705 W HN 0.225 nan 8.180 nan 0.000 0.498 1706 I N -0.010 120.775 120.570 0.357 0.000 2.151 1706 I HA -0.415 3.755 4.170 0.001 0.000 0.243 1706 I C 2.571 178.725 176.117 0.062 0.000 1.080 1706 I CA 1.844 63.276 61.300 0.220 0.000 1.339 1706 I CB -0.986 37.211 38.000 0.329 0.000 1.039 1706 I HN -0.124 nan 8.210 nan 0.000 0.409 1707 S N 0.080 115.823 115.700 0.071 0.000 2.370 1707 S HA -0.230 4.240 4.470 0.001 0.000 0.226 1707 S C 1.874 176.468 174.600 -0.008 0.000 1.033 1707 S CA 1.473 59.693 58.200 0.034 0.000 1.011 1707 S CB -0.290 62.933 63.200 0.038 0.000 0.852 1707 S HN 0.467 nan 8.310 nan 0.000 0.457 1708 E N 0.719 120.891 120.200 -0.046 0.000 2.051 1708 E HA -0.120 4.231 4.350 0.001 0.000 0.192 1708 E C 2.147 178.685 176.600 -0.103 0.000 0.991 1708 E CA 0.829 57.181 56.400 -0.081 0.000 0.799 1708 E CB 0.001 29.629 29.700 -0.120 0.000 0.748 1708 E HN 0.240 nan 8.360 nan 0.000 0.449 1709 K N 0.948 121.231 120.400 -0.195 0.000 2.097 1709 K HA -0.150 4.171 4.320 0.001 0.000 0.206 1709 K C 1.939 178.579 176.600 0.067 0.000 1.049 1709 K CA 0.963 57.206 56.287 -0.072 0.000 0.933 1709 K CB -0.199 32.123 32.500 -0.297 0.000 0.717 1709 K HN 0.256 nan 8.250 nan 0.000 0.442 1710 E N 0.777 120.993 120.200 0.026 0.000 2.058 1710 E HA -0.202 4.149 4.350 0.001 0.000 0.194 1710 E C 2.042 178.653 176.600 0.019 0.000 0.997 1710 E CA 0.861 57.286 56.400 0.042 0.000 0.801 1710 E CB -0.177 29.542 29.700 0.031 0.000 0.746 1710 E HN 0.039 nan 8.360 nan 0.000 0.450 1711 L N 0.501 121.721 121.223 -0.005 0.000 2.081 1711 L HA -0.207 4.133 4.340 0.001 0.000 0.212 1711 L C 2.224 179.064 176.870 -0.049 0.000 1.080 1711 L CA 1.260 56.087 54.840 -0.023 0.000 0.754 1711 L CB -0.178 41.866 42.059 -0.024 0.000 0.893 1711 L HN -0.010 nan 8.230 nan 0.000 0.433 1712 V N -0.822 119.047 119.914 -0.074 0.000 2.323 1712 V HA -0.233 3.888 4.120 0.001 0.000 0.244 1712 V C 2.652 178.659 176.094 -0.145 0.000 1.041 1712 V CA 1.490 63.678 62.300 -0.186 0.000 1.025 1712 V CB -1.188 30.381 31.823 -0.423 0.000 0.656 1712 V HN 0.542 nan 8.190 nan 0.000 0.451 1713 A N 0.596 123.407 122.820 -0.015 0.000 2.019 1713 A HA -0.194 4.126 4.320 0.001 0.000 0.219 1713 A C 2.446 179.999 177.584 -0.050 0.000 1.164 1713 A CA 2.050 54.137 52.037 0.083 0.000 0.644 1713 A CB -0.623 18.494 19.000 0.195 0.000 0.805 1713 A HN 0.672 nan 8.150 nan 0.000 0.449 1714 S N -0.594 115.079 115.700 -0.044 0.000 2.561 1714 S HA 0.075 4.546 4.470 0.001 0.000 0.225 1714 S C 0.949 175.505 174.600 -0.073 0.000 0.977 1714 S CA 0.652 58.820 58.200 -0.054 0.000 0.926 1714 S CB -0.774 62.407 63.200 -0.031 0.000 0.769 1714 S HN 0.429 nan 8.310 nan 0.000 0.533 1715 S N 3.535 119.179 115.700 -0.093 0.000 2.642 1715 S HA 0.098 4.569 4.470 0.001 0.000 0.308 1715 S C -1.323 173.220 174.600 -0.095 0.000 1.255 1715 S CA -0.589 57.555 58.200 -0.092 0.000 1.057 1715 S CB 0.675 63.807 63.200 -0.112 0.000 0.785 1715 S HN 0.438 nan 8.310 nan 0.000 0.500 1716 P HA 0.160 nan 4.420 nan 0.000 0.255 1716 P C -0.096 177.181 177.300 -0.039 0.000 1.248 1716 P CA -0.055 63.015 63.100 -0.048 0.000 0.807 1716 P CB 0.066 31.750 31.700 -0.027 0.000 1.150 1717 E N 0.752 120.925 120.200 -0.044 0.000 2.417 1717 E HA 0.038 4.388 4.350 0.001 0.000 0.261 1717 E C 0.898 177.479 176.600 -0.032 0.000 1.000 1717 E CA 0.541 56.927 56.400 -0.023 0.000 0.919 1717 E CB 0.185 29.869 29.700 -0.028 0.000 0.955 1717 E HN -0.056 nan 8.360 nan 0.000 0.455 1718 M N 2.484 122.097 119.600 0.021 0.000 2.331 1718 M HA 0.296 4.777 4.480 0.001 0.000 0.266 1718 M C 0.444 176.807 176.300 0.105 0.000 1.055 1718 M CA 0.779 56.115 55.300 0.061 0.000 1.048 1718 M CB -0.180 32.484 32.600 0.106 0.000 1.460 1718 M HN 0.589 nan 8.290 nan 0.000 0.519 1719 G N 2.329 111.170 108.800 0.069 0.000 3.069 1719 G HA2 -0.118 3.843 3.960 0.001 0.000 0.686 1719 G HA3 -0.118 3.843 3.960 0.001 0.000 0.686 1719 G C 0.145 175.150 174.900 0.174 0.000 1.161 1719 G CA -0.093 45.036 45.100 0.048 0.000 0.804 1719 G HN 0.499 nan 8.290 nan 0.000 0.608 1720 Q N 0.200 120.183 119.800 0.305 0.000 2.331 1720 Q HA 0.213 4.554 4.340 0.001 0.000 0.203 1720 Q C 0.591 176.604 176.000 0.021 0.000 0.944 1720 Q CA 1.473 57.354 55.803 0.130 0.000 0.892 1720 Q CB 0.321 29.088 28.738 0.048 0.000 0.983 1720 Q HN 0.868 nan 8.270 nan 0.000 0.482 1721 D N -2.278 118.075 120.400 -0.079 0.000 2.665 1721 D HA 0.031 4.672 4.640 0.001 0.000 0.287 1721 D C -0.150 176.003 176.300 -0.245 0.000 1.266 1721 D CA -0.901 52.991 54.000 -0.180 0.000 0.830 1721 D CB -0.220 40.582 40.800 0.003 0.000 1.356 1721 D HN -0.135 nan 8.370 nan 0.000 0.437 1722 F N 1.065 120.861 119.950 -0.258 0.000 2.091 1722 F HA -0.169 4.359 4.527 0.001 0.000 0.299 1722 F C 1.542 177.271 175.800 -0.117 0.000 1.103 1722 F CA 2.025 59.915 58.000 -0.184 0.000 1.228 1722 F CB -0.353 38.585 39.000 -0.104 0.000 0.984 1722 F HN 0.328 nan 8.300 nan 0.000 0.477 1723 D N -1.511 118.797 120.400 -0.153 0.000 2.149 1723 D HA -0.242 4.399 4.640 0.001 0.000 0.198 1723 D C 2.258 178.497 176.300 -0.102 0.000 0.990 1723 D CA 1.648 55.535 54.000 -0.189 0.000 0.839 1723 D CB -0.668 40.094 40.800 -0.063 0.000 0.948 1723 D HN 0.536 nan 8.370 nan 0.000 0.460 1724 H N 0.237 119.214 119.070 -0.155 0.000 2.333 1724 H HA -0.032 4.524 4.556 0.001 0.000 0.302 1724 H C 2.215 177.489 175.328 -0.091 0.000 1.075 1724 H CA 0.693 56.676 56.048 -0.109 0.000 1.348 1724 H CB 0.154 29.861 29.762 -0.092 0.000 1.393 1724 H HN -0.101 nan 8.280 nan 0.000 0.509 1725 V N 0.741 120.555 119.914 -0.166 0.000 2.407 1725 V HA -0.208 3.913 4.120 0.001 0.000 0.248 1725 V C 2.151 178.236 176.094 -0.015 0.000 1.055 1725 V CA 2.299 64.538 62.300 -0.101 0.000 1.049 1725 V CB -0.543 31.329 31.823 0.082 0.000 0.662 1725 V HN 0.539 nan 8.190 nan 0.000 0.455 1726 T N 0.595 115.096 114.554 -0.088 0.000 2.684 1726 T HA -0.207 4.144 4.350 0.001 0.000 0.267 1726 T C 1.744 176.408 174.700 -0.059 0.000 1.036 1726 T CA 2.075 64.147 62.100 -0.046 0.000 1.148 1726 T CB -0.357 68.359 68.868 -0.253 0.000 0.863 1726 T HN 0.366 nan 8.240 nan 0.000 0.436 1727 L N 0.623 121.800 121.223 -0.076 0.000 2.044 1727 L HA 0.136 4.477 4.340 0.001 0.000 0.205 1727 L C 2.216 179.057 176.870 -0.047 0.000 1.075 1727 L CA 1.402 56.216 54.840 -0.043 0.000 0.747 1727 L CB -0.759 41.299 42.059 -0.002 0.000 0.903 1727 L HN 0.251 nan 8.230 nan 0.000 0.435 1728 L N -0.719 120.433 121.223 -0.118 0.000 1.989 1728 L HA -0.268 4.073 4.340 0.001 0.000 0.211 1728 L C 2.819 179.681 176.870 -0.014 0.000 1.071 1728 L CA 1.727 56.499 54.840 -0.114 0.000 0.749 1728 L CB -0.579 41.338 42.059 -0.237 0.000 0.890 1728 L HN 0.341 nan 8.230 nan 0.000 0.431 1729 R N 0.203 120.695 120.500 -0.013 0.000 2.083 1729 R HA -0.214 4.126 4.340 0.001 0.000 0.237 1729 R C 1.867 178.194 176.300 0.045 0.000 1.137 1729 R CA 2.240 58.351 56.100 0.018 0.000 0.951 1729 R CB -0.271 30.009 30.300 -0.033 0.000 0.851 1729 R HN 0.357 nan 8.270 nan 0.000 0.434 1730 D N 0.356 120.757 120.400 0.002 0.000 2.117 1730 D HA -0.139 4.502 4.640 0.001 0.000 0.197 1730 D C 1.843 178.171 176.300 0.046 0.000 0.987 1730 D CA 1.218 55.222 54.000 0.006 0.000 0.829 1730 D CB -0.109 40.681 40.800 -0.017 0.000 0.961 1730 D HN 0.267 nan 8.370 nan 0.000 0.460 1731 K N -0.410 120.027 120.400 0.060 0.000 2.097 1731 K HA -0.124 4.197 4.320 0.001 0.000 0.206 1731 K C 2.056 178.737 176.600 0.135 0.000 1.049 1731 K CA 0.577 56.912 56.287 0.080 0.000 0.933 1731 K CB -0.263 32.276 32.500 0.065 0.000 0.717 1731 K HN 0.126 nan 8.250 nan 0.000 0.442 1732 F N 1.574 121.537 119.950 0.021 0.000 2.325 1732 F HA -0.073 4.455 4.527 0.001 0.000 0.299 1732 F C 2.408 178.283 175.800 0.125 0.000 1.090 1732 F CA 0.962 59.002 58.000 0.066 0.000 1.392 1732 F CB 0.090 39.082 39.000 -0.014 0.000 1.053 1732 F HN -0.124 nan 8.300 nan 0.000 0.521 1733 R N 0.218 120.792 120.500 0.124 0.000 2.073 1733 R HA -0.137 4.204 4.340 0.001 0.000 0.229 1733 R C 1.816 178.097 176.300 -0.033 0.000 1.120 1733 R CA 1.831 57.952 56.100 0.036 0.000 0.967 1733 R CB -0.406 29.918 30.300 0.040 0.000 0.862 1733 R HN 0.170 nan 8.270 nan 0.000 0.436 1734 D N 0.088 120.485 120.400 -0.005 0.000 2.104 1734 D HA -0.208 4.433 4.640 0.001 0.000 0.194 1734 D C 1.539 177.810 176.300 -0.049 0.000 0.994 1734 D CA 1.236 55.227 54.000 -0.014 0.000 0.830 1734 D CB -0.359 40.453 40.800 0.020 0.000 0.959 1734 D HN 0.217 nan 8.370 nan 0.000 0.452 1735 F N 1.507 121.325 119.950 -0.220 0.000 2.134 1735 F HA -0.169 4.359 4.527 0.001 0.000 0.299 1735 F C 2.164 177.747 175.800 -0.362 0.000 1.097 1735 F CA 1.699 59.521 58.000 -0.297 0.000 1.264 1735 F CB -0.198 38.559 39.000 -0.405 0.000 1.001 1735 F HN -0.059 nan 8.300 nan 0.000 0.479 1736 A N 0.646 123.215 122.820 -0.419 0.000 1.883 1736 A HA -0.242 4.079 4.320 0.001 0.000 0.217 1736 A C 2.323 179.743 177.584 -0.273 0.000 1.186 1736 A CA 1.992 53.794 52.037 -0.392 0.000 0.624 1736 A CB -0.926 17.928 19.000 -0.242 0.000 0.822 1736 A HN 0.499 nan 8.150 nan 0.000 0.444 1737 R N -0.058 120.334 120.500 -0.180 0.000 2.066 1737 R HA -0.125 4.216 4.340 0.001 0.000 0.232 1737 R C 2.122 178.363 176.300 -0.099 0.000 1.131 1737 R CA 1.710 57.748 56.100 -0.103 0.000 0.955 1737 R CB -0.251 30.011 30.300 -0.062 0.000 0.851 1737 R HN 0.712 nan 8.270 nan 0.000 0.432 1738 E N -0.680 119.436 120.200 -0.139 0.000 2.072 1738 E HA -0.133 4.218 4.350 0.001 0.000 0.191 1738 E C 1.916 178.464 176.600 -0.086 0.000 0.985 1738 E CA 1.675 58.016 56.400 -0.097 0.000 0.801 1738 E CB -0.222 29.427 29.700 -0.085 0.000 0.750 1738 E HN 0.340 nan 8.360 nan 0.000 0.452 1739 T N 1.000 115.389 114.554 -0.276 0.000 2.720 1739 T HA -0.152 4.198 4.350 0.001 0.000 0.268 1739 T C 1.986 176.785 174.700 0.164 0.000 1.037 1739 T CA 1.454 63.448 62.100 -0.178 0.000 1.144 1739 T CB -0.649 67.787 68.868 -0.721 0.000 0.864 1739 T HN 0.418 nan 8.240 nan 0.000 0.444 1740 G N 1.051 109.893 108.800 0.069 0.000 2.421 1740 G HA2 -0.031 3.930 3.960 0.001 0.000 0.216 1740 G HA3 -0.031 3.930 3.960 0.001 0.000 0.216 1740 G C 1.843 176.875 174.900 0.220 0.000 1.171 1740 G CA 0.940 46.172 45.100 0.219 0.000 0.775 1740 G HN 0.587 nan 8.290 nan 0.000 0.543 1741 A N 0.747 123.622 122.820 0.092 0.000 1.858 1741 A HA 0.030 4.351 4.320 0.001 0.000 0.216 1741 A C 2.431 180.024 177.584 0.015 0.000 1.190 1741 A CA 1.451 53.517 52.037 0.048 0.000 0.617 1741 A CB -0.466 18.541 19.000 0.011 0.000 0.827 1741 A HN 0.348 nan 8.150 nan 0.000 0.443 1742 I N -0.350 120.228 120.570 0.014 0.000 2.226 1742 I HA -0.190 3.980 4.170 0.001 0.000 0.245 1742 I C 2.680 178.661 176.117 -0.227 0.000 1.100 1742 I CA 1.136 62.388 61.300 -0.079 0.000 1.374 1742 I CB -0.485 37.510 38.000 -0.008 0.000 1.057 1742 I HN 0.415 nan 8.210 nan 0.000 0.413 1743 G N -0.348 108.411 108.800 -0.069 0.000 2.421 1743 G HA2 -0.332 3.629 3.960 0.001 0.000 0.216 1743 G HA3 -0.332 3.629 3.960 0.001 0.000 0.216 1743 G C 1.545 175.993 174.900 -0.755 0.000 1.171 1743 G CA 0.703 45.549 45.100 -0.424 0.000 0.775 1743 G HN 0.263 nan 8.290 nan 0.000 0.543 1744 Q N 0.445 120.062 119.800 -0.303 0.000 2.135 1744 Q HA -0.087 4.253 4.340 0.001 0.000 0.204 1744 Q C 2.314 178.167 176.000 -0.245 0.000 0.981 1744 Q CA 2.018 57.698 55.803 -0.206 0.000 0.856 1744 Q CB -0.365 28.446 28.738 0.121 0.000 0.902 1744 Q HN 0.710 nan 8.270 nan 0.000 0.425 1745 E N -0.527 119.547 120.200 -0.210 0.000 2.072 1745 E HA -0.214 4.137 4.350 0.001 0.000 0.191 1745 E C 1.927 178.376 176.600 -0.251 0.000 0.985 1745 E CA 0.860 57.147 56.400 -0.189 0.000 0.801 1745 E CB 0.022 29.631 29.700 -0.152 0.000 0.750 1745 E HN 0.320 nan 8.360 nan 0.000 0.452 1746 R N 0.085 120.370 120.500 -0.358 0.000 2.070 1746 R HA -0.108 4.233 4.340 0.001 0.000 0.233 1746 R C 2.545 178.644 176.300 -0.336 0.000 1.137 1746 R CA 1.465 57.341 56.100 -0.372 0.000 0.945 1746 R CB -0.446 29.543 30.300 -0.517 0.000 0.845 1746 R HN 0.107 nan 8.270 nan 0.000 0.430 1747 V N 1.917 121.556 119.914 -0.457 0.000 2.324 1747 V HA -0.277 3.844 4.120 0.001 0.000 0.250 1747 V C 1.633 177.596 176.094 -0.218 0.000 1.060 1747 V CA 2.020 64.083 62.300 -0.394 0.000 1.042 1747 V CB -0.513 30.893 31.823 -0.695 0.000 0.650 1747 V HN 0.281 nan 8.190 nan 0.000 0.450 1748 D N 0.230 120.511 120.400 -0.198 0.000 2.123 1748 D HA -0.139 4.502 4.640 0.001 0.000 0.196 1748 D C 2.061 178.314 176.300 -0.080 0.000 0.992 1748 D CA 1.287 55.223 54.000 -0.107 0.000 0.833 1748 D CB -0.438 40.308 40.800 -0.089 0.000 0.954 1748 D HN 0.427 nan 8.370 nan 0.000 0.455 1749 N N 0.183 118.822 118.700 -0.101 0.000 2.188 1749 N HA -0.092 4.649 4.740 0.001 0.000 0.184 1749 N C 2.013 177.519 175.510 -0.007 0.000 1.018 1749 N CA 0.421 53.429 53.050 -0.071 0.000 0.858 1749 N CB -0.384 38.037 38.487 -0.111 0.000 0.989 1749 N HN 0.115 nan 8.380 nan 0.000 0.426 1750 V N 1.981 121.884 119.914 -0.018 0.000 2.453 1750 V HA -0.123 3.998 4.120 0.001 0.000 0.247 1750 V C 2.056 178.184 176.094 0.057 0.000 1.048 1750 V CA 1.119 63.455 62.300 0.059 0.000 1.049 1750 V CB -0.453 31.374 31.823 0.007 0.000 0.672 1750 V HN 0.303 nan 8.190 nan 0.000 0.457 1751 N N 0.743 119.446 118.700 0.005 0.000 2.069 1751 N HA -0.166 4.574 4.740 0.001 0.000 0.191 1751 N C 1.965 177.486 175.510 0.018 0.000 1.031 1751 N CA 1.821 54.873 53.050 0.005 0.000 0.852 1751 N CB -0.305 38.177 38.487 -0.008 0.000 1.018 1751 N HN 0.487 nan 8.380 nan 0.000 0.423 1752 A N 1.024 123.860 122.820 0.027 0.000 1.902 1752 A HA -0.151 4.170 4.320 0.001 0.000 0.217 1752 A C 2.055 179.702 177.584 0.105 0.000 1.181 1752 A CA 0.900 52.960 52.037 0.039 0.000 0.623 1752 A CB -0.831 18.179 19.000 0.016 0.000 0.818 1752 A HN 0.268 nan 8.150 nan 0.000 0.443 1753 F N 0.818 120.724 119.950 -0.072 0.000 2.069 1753 F HA -0.164 4.364 4.527 0.001 0.000 0.298 1753 F C 2.018 177.772 175.800 -0.077 0.000 1.113 1753 F CA 1.241 59.191 58.000 -0.084 0.000 1.214 1753 F CB -0.786 38.163 39.000 -0.085 0.000 0.978 1753 F HN 0.195 nan 8.300 nan 0.000 0.474 1754 I N 0.189 120.693 120.570 -0.111 0.000 2.151 1754 I HA -0.309 3.861 4.170 0.001 0.000 0.243 1754 I C 2.405 178.432 176.117 -0.150 0.000 1.080 1754 I CA 1.511 62.678 61.300 -0.222 0.000 1.339 1754 I CB -0.476 37.450 38.000 -0.123 0.000 1.039 1754 I HN 0.102 nan 8.210 nan 0.000 0.409 1755 E N 0.684 120.845 120.200 -0.064 0.000 2.077 1755 E HA -0.201 4.149 4.350 0.001 0.000 0.193 1755 E C 2.273 178.851 176.600 -0.037 0.000 0.989 1755 E CA 1.132 57.504 56.400 -0.046 0.000 0.800 1755 E CB -0.337 29.351 29.700 -0.021 0.000 0.746 1755 E HN 0.480 nan 8.360 nan 0.000 0.452 1756 R N 0.315 120.809 120.500 -0.010 0.000 2.091 1756 R HA -0.080 4.261 4.340 0.001 0.000 0.238 1756 R C 2.624 178.915 176.300 -0.016 0.000 1.136 1756 R CA 0.980 57.086 56.100 0.010 0.000 0.959 1756 R CB -0.348 29.990 30.300 0.063 0.000 0.856 1756 R HN 0.176 nan 8.270 nan 0.000 0.437 1757 L N 0.152 121.322 121.223 -0.090 0.000 2.005 1757 L HA -0.180 4.161 4.340 0.001 0.000 0.207 1757 L C 2.433 179.267 176.870 -0.060 0.000 1.072 1757 L CA 1.316 56.094 54.840 -0.103 0.000 0.744 1757 L CB -0.476 41.395 42.059 -0.313 0.000 0.895 1757 L HN 0.169 nan 8.230 nan 0.000 0.433 1758 I N 0.097 120.602 120.570 -0.109 0.000 2.163 1758 I HA -0.334 3.836 4.170 0.001 0.000 0.243 1758 I C 2.181 178.281 176.117 -0.029 0.000 1.085 1758 I CA 1.406 62.661 61.300 -0.074 0.000 1.347 1758 I CB -0.396 37.550 38.000 -0.091 0.000 1.044 1758 I HN 0.302 nan 8.210 nan 0.000 0.408 1759 D N 0.839 121.223 120.400 -0.026 0.000 2.178 1759 D HA -0.116 4.525 4.640 0.001 0.000 0.202 1759 D C 2.186 178.487 176.300 0.001 0.000 0.974 1759 D CA 1.483 55.476 54.000 -0.012 0.000 0.841 1759 D CB -0.103 40.691 40.800 -0.010 0.000 0.953 1759 D HN 0.377 nan 8.370 nan 0.000 0.478 1760 A N 0.231 123.058 122.820 0.011 0.000 2.119 1760 A HA 0.348 4.669 4.320 0.001 0.000 0.217 1760 A C 1.218 178.817 177.584 0.024 0.000 1.153 1760 A CA 1.206 53.257 52.037 0.025 0.000 0.692 1760 A CB -0.224 18.802 19.000 0.044 0.000 0.799 1760 A HN 0.299 nan 8.150 nan 0.000 0.458 1761 G N -1.226 107.591 108.800 0.028 0.000 3.409 1761 G HA2 0.108 4.069 3.960 0.001 0.000 0.686 1761 G HA3 0.108 4.069 3.960 0.001 0.000 0.686 1761 G C -0.821 174.102 174.900 0.039 0.000 1.017 1761 G CA 0.006 45.119 45.100 0.020 0.000 0.854 1761 G HN 1.039 nan 8.290 nan 0.000 0.508 1762 H N 2.075 121.105 119.070 -0.067 0.000 3.083 1762 H HA 0.487 5.044 4.556 0.001 0.000 0.339 1762 H C 1.405 176.673 175.328 -0.100 0.000 1.020 1762 H CA 0.283 56.280 56.048 -0.084 0.000 1.360 1762 H CB 1.672 31.368 29.762 -0.109 0.000 1.811 1762 H HN 0.957 nan 8.280 nan 0.000 0.493 1763 S N 2.850 118.447 115.700 -0.173 0.000 2.462 1763 S HA -0.121 4.350 4.470 0.001 0.000 0.243 1763 S C 0.570 175.190 174.600 0.033 0.000 1.003 1763 S CA 1.209 59.366 58.200 -0.072 0.000 0.970 1763 S CB 0.127 63.242 63.200 -0.142 0.000 0.762 1763 S HN 0.598 nan 8.310 nan 0.000 0.510 1764 E N 0.485 120.842 120.200 0.260 0.000 2.569 1764 E HA 0.468 4.819 4.350 0.001 0.000 0.205 1764 E C 1.608 178.098 176.600 -0.184 0.000 1.006 1764 E CA 0.463 56.863 56.400 -0.001 0.000 0.985 1764 E CB 0.200 29.867 29.700 -0.054 0.000 1.060 1764 E HN 0.557 nan 8.360 nan 0.000 0.460 1765 A N 1.600 124.354 122.820 -0.111 0.000 1.927 1765 A HA -0.241 4.079 4.320 0.001 0.000 0.220 1765 A C 2.380 179.838 177.584 -0.210 0.000 1.185 1765 A CA 2.205 54.136 52.037 -0.176 0.000 0.639 1765 A CB -0.462 18.482 19.000 -0.093 0.000 0.820 1765 A HN 0.318 nan 8.150 nan 0.000 0.451 1766 A N -1.189 121.529 122.820 -0.169 0.000 1.883 1766 A HA -0.113 4.207 4.320 0.001 0.000 0.217 1766 A C 2.338 179.779 177.584 -0.237 0.000 1.186 1766 A CA 2.457 54.398 52.037 -0.160 0.000 0.624 1766 A CB -1.330 17.603 19.000 -0.113 0.000 0.822 1766 A HN 0.482 nan 8.150 nan 0.000 0.444 1767 T N 0.268 114.618 114.554 -0.339 0.000 2.701 1767 T HA -0.084 4.267 4.350 0.001 0.000 0.263 1767 T C 1.834 176.019 174.700 -0.858 0.000 1.040 1767 T CA 1.453 63.229 62.100 -0.539 0.000 1.147 1767 T CB -0.438 68.072 68.868 -0.596 0.000 0.865 1767 T HN 0.398 nan 8.240 nan 0.000 0.426 1768 I N 1.548 121.619 120.570 -0.832 0.000 2.151 1768 I HA -0.260 3.911 4.170 0.001 0.000 0.243 1768 I C 2.934 178.849 176.117 -0.336 0.000 1.080 1768 I CA 1.348 62.215 61.300 -0.721 0.000 1.339 1768 I CB -0.493 37.169 38.000 -0.564 0.000 1.039 1768 I HN 0.216 nan 8.210 nan 0.000 0.409 1769 A N 0.112 122.782 122.820 -0.250 0.000 1.940 1769 A HA -0.292 4.028 4.320 0.001 0.000 0.219 1769 A C 2.293 179.837 177.584 -0.068 0.000 1.176 1769 A CA 2.083 54.045 52.037 -0.125 0.000 0.631 1769 A CB -0.694 18.245 19.000 -0.102 0.000 0.814 1769 A HN 0.562 nan 8.150 nan 0.000 0.446 1770 E N -1.246 118.889 120.200 -0.108 0.000 2.110 1770 E HA -0.222 4.129 4.350 0.001 0.000 0.193 1770 E C 1.709 178.399 176.600 0.149 0.000 0.988 1770 E CA 1.378 57.772 56.400 -0.010 0.000 0.804 1770 E CB -0.221 29.453 29.700 -0.044 0.000 0.745 1770 E HN 0.749 nan 8.360 nan 0.000 0.458 1771 W N 1.498 122.775 121.300 -0.039 0.000 2.358 1771 W HA -0.053 4.608 4.660 0.002 0.000 0.303 1771 W C 2.290 178.794 176.519 -0.026 0.000 1.208 1771 W CA 0.735 58.060 57.345 -0.033 0.000 1.274 1771 W CB -0.945 28.482 29.460 -0.055 0.000 1.138 1771 W HN 0.143 nan 8.180 nan 0.000 0.515 1772 K N 0.517 121.027 120.400 0.184 0.000 2.032 1772 K HA -0.191 4.130 4.320 0.001 0.000 0.209 1772 K C 1.535 178.188 176.600 0.088 0.000 1.048 1772 K CA 1.996 58.343 56.287 0.098 0.000 0.927 1772 K CB -0.318 32.204 32.500 0.037 0.000 0.712 1772 K HN -0.091 nan 8.250 nan 0.000 0.441 1773 D N -0.155 120.292 120.400 0.078 0.000 2.106 1773 D HA -0.157 4.483 4.640 0.001 0.000 0.191 1773 D C 1.868 178.222 176.300 0.089 0.000 0.997 1773 D CA 1.579 55.622 54.000 0.072 0.000 0.834 1773 D CB -0.709 40.123 40.800 0.053 0.000 0.956 1773 D HN 0.484 nan 8.370 nan 0.000 0.448 1774 G N 1.119 109.983 108.800 0.107 0.000 2.446 1774 G HA2 -0.249 3.712 3.960 0.001 0.000 0.217 1774 G HA3 -0.249 3.712 3.960 0.001 0.000 0.217 1774 G C 1.630 176.592 174.900 0.103 0.000 1.168 1774 G CA 1.015 46.176 45.100 0.102 0.000 0.771 1774 G HN 0.272 nan 8.290 nan 0.000 0.551 1775 L N 1.228 122.515 121.223 0.106 0.000 1.994 1775 L HA -0.023 4.318 4.340 0.001 0.000 0.208 1775 L C 2.279 179.239 176.870 0.149 0.000 1.071 1775 L CA 2.140 57.043 54.840 0.105 0.000 0.745 1775 L CB -0.839 41.264 42.059 0.074 0.000 0.892 1775 L HN 0.132 nan 8.230 nan 0.000 0.431 1776 N N 0.015 118.798 118.700 0.139 0.000 2.149 1776 N HA -0.196 4.545 4.740 0.001 0.000 0.188 1776 N C 1.648 177.273 175.510 0.191 0.000 1.019 1776 N CA 1.745 54.907 53.050 0.186 0.000 0.857 1776 N CB -0.182 38.387 38.487 0.137 0.000 0.997 1776 N HN 0.618 nan 8.380 nan 0.000 0.426 1777 E N 0.686 120.966 120.200 0.133 0.000 2.106 1777 E HA -0.083 4.268 4.350 0.001 0.000 0.192 1777 E C 1.997 178.667 176.600 0.116 0.000 0.984 1777 E CA 0.675 57.137 56.400 0.103 0.000 0.806 1777 E CB -0.111 29.634 29.700 0.075 0.000 0.750 1777 E HN 0.371 nan 8.360 nan 0.000 0.458 1778 M N 0.114 119.804 119.600 0.149 0.000 2.117 1778 M HA -0.166 4.315 4.480 0.001 0.000 0.262 1778 M C 2.240 178.678 176.300 0.229 0.000 1.065 1778 M CA 1.478 56.875 55.300 0.161 0.000 1.114 1778 M CB -0.341 32.358 32.600 0.165 0.000 1.361 1778 M HN 0.369 nan 8.290 nan 0.000 0.408 1779 W N 0.946 122.284 121.300 0.063 0.000 2.355 1779 W HA -0.215 4.445 4.660 0.001 0.000 0.309 1779 W C 2.219 178.772 176.519 0.056 0.000 1.206 1779 W CA 1.512 58.900 57.345 0.071 0.000 1.284 1779 W CB -0.138 29.362 29.460 0.067 0.000 1.145 1779 W HN 0.223 nan 8.180 nan 0.000 0.502 1780 A N 0.897 123.688 122.820 -0.048 0.000 1.877 1780 A HA -0.267 4.054 4.320 0.001 0.000 0.216 1780 A C 1.607 179.102 177.584 -0.148 0.000 1.186 1780 A CA 2.236 54.171 52.037 -0.171 0.000 0.620 1780 A CB -1.182 17.790 19.000 -0.047 0.000 0.822 1780 A HN 0.271 nan 8.150 nan 0.000 0.443 1781 D N -0.449 119.920 120.400 -0.053 0.000 2.104 1781 D HA -0.153 4.488 4.640 0.001 0.000 0.194 1781 D C 1.842 178.108 176.300 -0.057 0.000 0.994 1781 D CA 1.417 55.397 54.000 -0.033 0.000 0.830 1781 D CB -0.488 40.320 40.800 0.012 0.000 0.959 1781 D HN 0.342 nan 8.370 nan 0.000 0.452 1782 L N 0.679 121.864 121.223 -0.063 0.000 1.989 1782 L HA -0.139 4.202 4.340 0.001 0.000 0.211 1782 L C 2.233 178.998 176.870 -0.175 0.000 1.071 1782 L CA 1.491 56.287 54.840 -0.072 0.000 0.749 1782 L CB -0.695 41.367 42.059 0.005 0.000 0.890 1782 L HN 0.038 nan 8.230 nan 0.000 0.431 1783 L N -0.573 120.413 121.223 -0.395 0.000 2.081 1783 L HA -0.256 4.085 4.340 0.001 0.000 0.212 1783 L C 2.629 179.398 176.870 -0.168 0.000 1.080 1783 L CA 1.834 56.450 54.840 -0.373 0.000 0.754 1783 L CB -0.691 41.047 42.059 -0.536 0.000 0.893 1783 L HN 0.485 nan 8.230 nan 0.000 0.433 1784 E N 0.542 120.662 120.200 -0.134 0.000 2.072 1784 E HA -0.208 4.143 4.350 0.001 0.000 0.191 1784 E C 2.398 178.985 176.600 -0.021 0.000 0.985 1784 E CA 0.906 57.267 56.400 -0.065 0.000 0.801 1784 E CB 0.000 29.667 29.700 -0.055 0.000 0.750 1784 E HN 0.452 nan 8.360 nan 0.000 0.452 1785 L N 0.708 121.923 121.223 -0.013 0.000 2.083 1785 L HA -0.194 4.147 4.340 0.001 0.000 0.209 1785 L C 2.470 179.394 176.870 0.090 0.000 1.083 1785 L CA 0.874 55.729 54.840 0.024 0.000 0.752 1785 L CB -0.231 41.844 42.059 0.027 0.000 0.899 1785 L HN 0.257 nan 8.230 nan 0.000 0.433 1786 I N -0.404 120.241 120.570 0.125 0.000 2.353 1786 I HA -0.277 3.893 4.170 0.001 0.000 0.248 1786 I C 2.112 178.392 176.117 0.272 0.000 1.119 1786 I CA 1.335 62.814 61.300 0.299 0.000 1.417 1786 I CB -0.215 37.896 38.000 0.185 0.000 1.078 1786 I HN 0.287 nan 8.210 nan 0.000 0.421 1787 D N 0.615 121.083 120.400 0.112 0.000 2.117 1787 D HA -0.197 4.444 4.640 0.001 0.000 0.197 1787 D C 2.173 178.508 176.300 0.058 0.000 0.987 1787 D CA 2.041 56.091 54.000 0.083 0.000 0.829 1787 D CB 0.119 40.930 40.800 0.019 0.000 0.961 1787 D HN 0.331 nan 8.370 nan 0.000 0.460 1788 T N -1.994 112.575 114.554 0.026 0.000 2.867 1788 T HA -0.154 4.197 4.350 0.001 0.000 0.268 1788 T C 2.016 176.687 174.700 -0.048 0.000 1.057 1788 T CA 1.064 63.157 62.100 -0.012 0.000 1.136 1788 T CB -0.293 68.561 68.868 -0.023 0.000 0.874 1788 T HN 0.010 nan 8.240 nan 0.000 0.466 1789 R N 0.956 121.415 120.500 -0.069 0.000 2.092 1789 R HA 0.198 4.538 4.340 0.001 0.000 0.231 1789 R C 2.428 178.533 176.300 -0.325 0.000 1.119 1789 R CA 1.451 57.392 56.100 -0.265 0.000 0.970 1789 R CB -0.895 29.155 30.300 -0.416 0.000 0.864 1789 R HN 0.491 nan 8.270 nan 0.000 0.440 1790 M N 0.185 119.738 119.600 -0.078 0.000 2.086 1790 M HA -0.222 4.259 4.480 0.001 0.000 0.261 1790 M C 2.101 178.393 176.300 -0.012 0.000 1.067 1790 M CA 1.972 57.296 55.300 0.041 0.000 1.116 1790 M CB -0.046 32.682 32.600 0.212 0.000 1.348 1790 M HN 0.269 nan 8.290 nan 0.000 0.407 1791 Q N -0.346 119.447 119.800 -0.011 0.000 2.124 1791 Q HA -0.221 4.120 4.340 0.001 0.000 0.202 1791 Q C 2.013 177.996 176.000 -0.028 0.000 0.977 1791 Q CA 1.457 57.252 55.803 -0.014 0.000 0.850 1791 Q CB -0.434 28.294 28.738 -0.016 0.000 0.901 1791 Q HN 0.450 nan 8.270 nan 0.000 0.429 1792 L N 0.821 122.006 121.223 -0.063 0.000 1.994 1792 L HA -0.173 4.168 4.340 0.001 0.000 0.208 1792 L C 1.967 178.812 176.870 -0.042 0.000 1.071 1792 L CA 1.667 56.467 54.840 -0.065 0.000 0.745 1792 L CB -0.572 41.426 42.059 -0.103 0.000 0.892 1792 L HN 0.175 nan 8.230 nan 0.000 0.431 1793 L N -0.383 120.789 121.223 -0.084 0.000 2.042 1793 L HA -0.206 4.135 4.340 0.001 0.000 0.210 1793 L C 2.707 179.618 176.870 0.068 0.000 1.076 1793 L CA 1.304 56.125 54.840 -0.031 0.000 0.749 1793 L CB -1.014 40.987 42.059 -0.096 0.000 0.893 1793 L HN 0.412 nan 8.230 nan 0.000 0.432 1794 A N -0.007 122.841 122.820 0.047 0.000 1.908 1794 A HA -0.209 4.112 4.320 0.001 0.000 0.218 1794 A C 2.542 180.219 177.584 0.155 0.000 1.181 1794 A CA 1.856 53.948 52.037 0.093 0.000 0.627 1794 A CB -0.736 18.289 19.000 0.042 0.000 0.818 1794 A HN 0.419 nan 8.150 nan 0.000 0.445 1795 A N -0.839 122.040 122.820 0.098 0.000 1.877 1795 A HA -0.120 4.201 4.320 0.001 0.000 0.216 1795 A C 2.501 180.181 177.584 0.159 0.000 1.186 1795 A CA 2.222 54.322 52.037 0.104 0.000 0.620 1795 A CB -1.070 17.957 19.000 0.045 0.000 0.822 1795 A HN 0.596 nan 8.150 nan 0.000 0.443 1796 S N -1.973 113.822 115.700 0.159 0.000 2.370 1796 S HA -0.225 4.245 4.470 0.001 0.000 0.226 1796 S C 1.880 176.657 174.600 0.296 0.000 1.033 1796 S CA 1.723 60.039 58.200 0.193 0.000 1.011 1796 S CB -0.576 62.740 63.200 0.193 0.000 0.852 1796 S HN 0.642 nan 8.310 nan 0.000 0.457 1797 Y N 2.057 122.476 120.300 0.198 0.000 2.165 1797 Y HA -0.162 4.389 4.550 0.001 0.000 0.286 1797 Y C 1.876 177.939 175.900 0.271 0.000 1.155 1797 Y CA 2.275 60.536 58.100 0.267 0.000 1.164 1797 Y CB -0.529 38.038 38.460 0.179 0.000 0.978 1797 Y HN 0.302 nan 8.280 nan 0.000 0.513 1798 D N -0.098 120.466 120.400 0.274 0.000 2.144 1798 D HA -0.167 4.474 4.640 0.001 0.000 0.200 1798 D C 2.078 178.386 176.300 0.014 0.000 0.978 1798 D CA 1.204 55.282 54.000 0.131 0.000 0.833 1798 D CB -0.509 40.363 40.800 0.121 0.000 0.961 1798 D HN 0.368 nan 8.370 nan 0.000 0.470 1799 L N 0.206 121.437 121.223 0.015 0.000 2.017 1799 L HA -0.150 4.191 4.340 0.001 0.000 0.208 1799 L C 1.918 178.774 176.870 -0.024 0.000 1.073 1799 L CA 1.961 56.746 54.840 -0.091 0.000 0.745 1799 L CB -0.593 41.393 42.059 -0.122 0.000 0.894 1799 L HN 0.116 nan 8.230 nan 0.000 0.432 1800 H N -1.490 117.649 119.070 0.115 0.000 2.389 1800 H HA -0.083 4.474 4.556 0.001 0.000 0.299 1800 H C 2.310 177.494 175.328 -0.241 0.000 1.081 1800 H CA 1.381 57.500 56.048 0.119 0.000 1.345 1800 H CB 0.013 29.929 29.762 0.257 0.000 1.393 1800 H HN 0.241 nan 8.280 nan 0.000 0.520 1801 R N 0.024 120.337 120.500 -0.313 0.000 2.105 1801 R HA -0.211 4.130 4.340 0.001 0.000 0.239 1801 R C 1.912 178.053 176.300 -0.266 0.000 1.135 1801 R CA 1.566 57.272 56.100 -0.656 0.000 0.967 1801 R CB -0.288 29.792 30.300 -0.366 0.000 0.861 1801 R HN 0.422 nan 8.270 nan 0.000 0.442 1802 Y N 0.227 120.362 120.300 -0.275 0.000 2.109 1802 Y HA -0.204 4.347 4.550 0.001 0.000 0.285 1802 Y C 1.706 177.489 175.900 -0.195 0.000 1.131 1802 Y CA 1.790 59.718 58.100 -0.288 0.000 1.121 1802 Y CB -0.625 37.534 38.460 -0.502 0.000 0.987 1802 Y HN -0.054 nan 8.280 nan 0.000 0.495 1803 F N -0.734 119.184 119.950 -0.053 0.000 2.161 1803 F HA -0.228 4.300 4.527 0.001 0.000 0.300 1803 F C 2.381 178.099 175.800 -0.136 0.000 1.089 1803 F CA 1.838 59.767 58.000 -0.118 0.000 1.282 1803 F CB -1.484 37.520 39.000 0.007 0.000 1.010 1803 F HN 0.227 nan 8.300 nan 0.000 0.485 1804 Y N 0.918 121.136 120.300 -0.137 0.000 2.128 1804 Y HA -0.287 4.264 4.550 0.001 0.000 0.284 1804 Y C 2.506 178.282 175.900 -0.208 0.000 1.154 1804 Y CA 2.294 60.252 58.100 -0.236 0.000 1.149 1804 Y CB -0.953 37.124 38.460 -0.638 0.000 0.976 1804 Y HN -0.024 nan 8.280 nan 0.000 0.505 1805 T N -0.064 114.375 114.554 -0.192 0.000 2.746 1805 T HA -0.134 4.217 4.350 0.001 0.000 0.267 1805 T C 2.014 176.498 174.700 -0.359 0.000 1.039 1805 T CA 1.458 63.435 62.100 -0.205 0.000 1.142 1805 T CB -1.071 67.814 68.868 0.028 0.000 0.866 1805 T HN 0.615 nan 8.240 nan 0.000 0.444 1806 G N 1.161 109.748 108.800 -0.356 0.000 2.446 1806 G HA2 -0.122 3.839 3.960 0.001 0.000 0.217 1806 G HA3 -0.122 3.839 3.960 0.001 0.000 0.217 1806 G C 1.819 176.450 174.900 -0.449 0.000 1.168 1806 G CA 0.990 45.699 45.100 -0.651 0.000 0.771 1806 G HN 0.585 nan 8.290 nan 0.000 0.551 1807 A N 0.387 123.020 122.820 -0.312 0.000 1.930 1807 A HA 0.035 4.356 4.320 0.001 0.000 0.217 1807 A C 2.172 179.572 177.584 -0.307 0.000 1.175 1807 A CA 2.167 54.051 52.037 -0.256 0.000 0.627 1807 A CB -0.340 18.543 19.000 -0.194 0.000 0.815 1807 A HN 0.378 nan 8.150 nan 0.000 0.443 1808 E N 0.180 120.127 120.200 -0.422 0.000 2.031 1808 E HA -0.123 4.228 4.350 0.001 0.000 0.193 1808 E C 1.732 178.167 176.600 -0.275 0.000 0.994 1808 E CA 1.326 57.501 56.400 -0.375 0.000 0.800 1808 E CB -0.364 29.061 29.700 -0.458 0.000 0.752 1808 E HN 0.602 nan 8.360 nan 0.000 0.447 1809 I N 0.196 120.568 120.570 -0.331 0.000 2.194 1809 I HA -0.308 3.862 4.170 0.001 0.000 0.246 1809 I C 2.196 178.169 176.117 -0.240 0.000 1.093 1809 I CA 0.963 62.074 61.300 -0.315 0.000 1.355 1809 I CB -0.176 37.524 38.000 -0.500 0.000 1.046 1809 I HN 0.171 nan 8.210 nan 0.000 0.413 1810 L N -0.065 121.009 121.223 -0.249 0.000 2.083 1810 L HA -0.139 4.202 4.340 0.001 0.000 0.209 1810 L C 2.592 179.401 176.870 -0.103 0.000 1.083 1810 L CA 1.412 56.156 54.840 -0.159 0.000 0.752 1810 L CB -0.995 40.973 42.059 -0.152 0.000 0.899 1810 L HN 0.331 nan 8.230 nan 0.000 0.433 1811 G N -0.151 108.579 108.800 -0.116 0.000 2.404 1811 G HA2 -0.228 3.733 3.960 0.001 0.000 0.215 1811 G HA3 -0.228 3.733 3.960 0.001 0.000 0.215 1811 G C 1.481 176.349 174.900 -0.053 0.000 1.174 1811 G CA 0.348 45.400 45.100 -0.080 0.000 0.780 1811 G HN 0.116 nan 8.290 nan 0.000 0.537 1812 L N 0.587 121.768 121.223 -0.070 0.000 2.083 1812 L HA 0.078 4.419 4.340 0.001 0.000 0.209 1812 L C 2.770 179.639 176.870 -0.002 0.000 1.083 1812 L CA 1.010 55.825 54.840 -0.041 0.000 0.752 1812 L CB -0.424 41.595 42.059 -0.066 0.000 0.899 1812 L HN 0.219 nan 8.230 nan 0.000 0.433 1813 I N -1.000 119.572 120.570 0.002 0.000 2.252 1813 I HA -0.279 3.891 4.170 0.001 0.000 0.245 1813 I C 2.139 178.315 176.117 0.099 0.000 1.102 1813 I CA 1.268 62.611 61.300 0.071 0.000 1.385 1813 I CB -0.214 37.838 38.000 0.087 0.000 1.064 1813 I HN 0.263 nan 8.210 nan 0.000 0.414 1814 D N 0.824 121.256 120.400 0.053 0.000 2.084 1814 D HA -0.261 4.380 4.640 0.001 0.000 0.194 1814 D C 2.121 178.472 176.300 0.084 0.000 0.990 1814 D CA 1.369 55.401 54.000 0.054 0.000 0.826 1814 D CB 0.014 40.814 40.800 -0.002 0.000 0.971 1814 D HN 0.236 nan 8.370 nan 0.000 0.453 1815 E N -0.462 119.771 120.200 0.056 0.000 2.118 1815 E HA -0.237 4.114 4.350 0.001 0.000 0.195 1815 E C 1.743 178.406 176.600 0.106 0.000 0.992 1815 E CA 0.947 57.385 56.400 0.064 0.000 0.804 1815 E CB 0.184 29.907 29.700 0.037 0.000 0.741 1815 E HN 0.035 nan 8.360 nan 0.000 0.458 1816 K N 0.045 120.511 120.400 0.111 0.000 2.057 1816 K HA -0.147 4.174 4.320 0.001 0.000 0.206 1816 K C 2.171 178.903 176.600 0.219 0.000 1.050 1816 K CA 1.061 57.439 56.287 0.152 0.000 0.935 1816 K CB -0.675 31.856 32.500 0.052 0.000 0.715 1816 K HN 0.343 nan 8.250 nan 0.000 0.439 1817 H N 1.249 120.377 119.070 0.097 0.000 2.293 1817 H HA 0.005 4.561 4.556 0.001 0.000 0.300 1817 H C 1.993 177.358 175.328 0.061 0.000 1.082 1817 H CA 1.547 57.641 56.048 0.076 0.000 1.308 1817 H CB 0.271 30.055 29.762 0.036 0.000 1.375 1817 H HN 0.084 nan 8.280 nan 0.000 0.495 1818 R N 0.467 121.103 120.500 0.228 0.000 2.200 1818 R HA -0.137 4.203 4.340 0.001 0.000 0.234 1818 R C 2.239 178.600 176.300 0.102 0.000 1.127 1818 R CA 1.110 57.287 56.100 0.129 0.000 0.989 1818 R CB -0.076 30.270 30.300 0.076 0.000 0.869 1818 R HN 0.485 nan 8.270 nan 0.000 0.459 1819 E N 0.017 120.292 120.200 0.125 0.000 2.152 1819 E HA -0.074 4.276 4.350 0.001 0.000 0.192 1819 E C -0.079 176.531 176.600 0.017 0.000 0.983 1819 E CA 0.159 56.618 56.400 0.099 0.000 0.818 1819 E CB 0.251 30.071 29.700 0.199 0.000 0.758 1819 E HN -0.050 nan 8.360 nan 0.000 0.467 1820 L N 2.679 123.906 121.223 0.007 0.000 2.559 1820 L HA 0.019 4.360 4.340 0.001 0.000 0.282 1820 L C -1.738 175.083 176.870 -0.080 0.000 1.232 1820 L CA -0.687 54.091 54.840 -0.104 0.000 0.885 1820 L CB -0.473 41.542 42.059 -0.072 0.000 1.131 1820 L HN 0.145 nan 8.230 nan 0.000 0.498 1821 P HA 0.114 nan 4.420 nan 0.000 0.276 1821 P C -0.442 176.825 177.300 -0.054 0.000 1.244 1821 P CA -0.725 62.328 63.100 -0.079 0.000 0.801 1821 P CB 0.597 32.238 31.700 -0.098 0.000 1.006 1822 E N 0.903 121.083 120.200 -0.034 0.000 2.465 1822 E HA -0.093 4.258 4.350 0.001 0.000 0.260 1822 E C -0.275 176.306 176.600 -0.032 0.000 0.980 1822 E CA -0.145 56.241 56.400 -0.024 0.000 0.927 1822 E CB 0.077 29.767 29.700 -0.017 0.000 0.934 1822 E HN 0.332 nan 8.360 nan 0.000 0.459 1823 D N 4.006 124.389 120.400 -0.027 0.000 2.346 1823 D HA -0.015 4.626 4.640 0.001 0.000 0.260 1823 D C 0.395 176.683 176.300 -0.021 0.000 1.252 1823 D CA -0.194 53.789 54.000 -0.029 0.000 0.895 1823 D CB 0.897 41.681 40.800 -0.027 0.000 1.097 1823 D HN 0.224 nan 8.370 nan 0.000 0.489 1824 V N 1.367 121.268 119.914 -0.023 0.000 3.276 1824 V HA 0.545 4.666 4.120 0.001 0.000 0.319 1824 V C 1.186 177.269 176.094 -0.017 0.000 1.427 1824 V CA 0.094 62.383 62.300 -0.018 0.000 1.102 1824 V CB -0.101 31.711 31.823 -0.018 0.000 1.020 1824 V HN 0.766 nan 8.190 nan 0.000 0.456 1825 G N 1.280 110.069 108.800 -0.019 0.000 2.131 1825 G HA2 -0.147 3.813 3.960 0.001 0.000 0.201 1825 G HA3 -0.147 3.813 3.960 0.001 0.000 0.201 1825 G C -0.340 174.549 174.900 -0.017 0.000 1.000 1825 G CA 0.076 45.166 45.100 -0.017 0.000 0.680 1825 G HN 0.417 nan 8.290 nan 0.000 0.514 1826 L N 2.283 123.493 121.223 -0.021 0.000 2.959 1826 L HA 0.381 4.722 4.340 0.001 0.000 0.236 1826 L C 0.617 177.473 176.870 -0.023 0.000 1.296 1826 L CA -0.468 54.360 54.840 -0.021 0.000 1.047 1826 L CB -1.002 41.045 42.059 -0.021 0.000 1.395 1826 L HN 0.399 nan 8.230 nan 0.000 0.492 1838 H N 1.480 120.559 119.070 0.015 0.000 2.517 1838 H HA 0.856 5.413 4.556 0.001 0.000 0.346 1838 H C -0.000 175.351 175.328 0.039 0.000 1.222 1838 H CA 0.460 56.523 56.048 0.024 0.000 1.314 1838 H CB 1.898 31.668 29.762 0.014 0.000 1.609 1838 H HN 0.952 nan 8.280 nan 0.000 0.571 1839 T N -3.056 111.628 114.554 0.217 0.000 2.883 1839 T HA 0.531 4.882 4.350 0.001 0.000 0.301 1839 T C 1.044 175.823 174.700 0.132 0.000 1.158 1839 T CA -0.326 61.865 62.100 0.153 0.000 1.007 1839 T CB 1.542 70.507 68.868 0.161 0.000 1.186 1839 T HN 0.500 nan 8.240 nan 0.000 0.499 1840 A N 1.083 123.975 122.820 0.119 0.000 1.986 1840 A HA 0.021 4.342 4.320 0.001 0.000 0.220 1840 A C 1.779 179.434 177.584 0.118 0.000 1.171 1840 A CA 1.841 53.936 52.037 0.097 0.000 0.640 1840 A CB -1.151 17.905 19.000 0.093 0.000 0.811 1840 A HN 0.896 nan 8.150 nan 0.000 0.451 1841 F N 0.463 120.424 119.950 0.020 0.000 2.098 1841 F HA -0.033 4.495 4.527 0.001 0.000 0.294 1841 F C 2.128 177.946 175.800 0.029 0.000 1.107 1841 F CA 1.976 59.989 58.000 0.021 0.000 1.234 1841 F CB -0.271 38.738 39.000 0.015 0.000 1.002 1841 F HN 0.268 nan 8.300 nan 0.000 0.472 1842 E N 0.409 120.689 120.200 0.135 0.000 2.085 1842 E HA -0.250 4.101 4.350 0.001 0.000 0.194 1842 E C 2.172 178.745 176.600 -0.047 0.000 0.994 1842 E CA 2.007 58.433 56.400 0.043 0.000 0.801 1842 E CB -0.246 29.532 29.700 0.129 0.000 0.743 1842 E HN 0.523 nan 8.360 nan 0.000 0.453 1843 R N 0.654 121.117 120.500 -0.061 0.000 2.092 1843 R HA -0.093 4.248 4.340 0.001 0.000 0.231 1843 R C 1.267 177.546 176.300 -0.035 0.000 1.119 1843 R CA 1.551 57.609 56.100 -0.068 0.000 0.970 1843 R CB -0.305 29.940 30.300 -0.091 0.000 0.864 1843 R HN 0.070 nan 8.270 nan 0.000 0.440 1844 D N 1.021 121.367 120.400 -0.090 0.000 2.117 1844 D HA -0.077 4.563 4.640 0.001 0.000 0.198 1844 D C 2.114 178.336 176.300 -0.131 0.000 0.982 1844 D CA 1.074 55.006 54.000 -0.113 0.000 0.828 1844 D CB -0.127 40.589 40.800 -0.140 0.000 0.967 1844 D HN 0.051 nan 8.370 nan 0.000 0.464 1845 V N 0.540 120.321 119.914 -0.223 0.000 2.407 1845 V HA -0.248 3.873 4.120 0.001 0.000 0.248 1845 V C 2.291 178.457 176.094 0.120 0.000 1.055 1845 V CA 1.738 63.983 62.300 -0.092 0.000 1.049 1845 V CB -0.465 31.210 31.823 -0.246 0.000 0.662 1845 V HN 0.263 nan 8.190 nan 0.000 0.455 1846 H N -0.126 118.945 119.070 0.003 0.000 2.293 1846 H HA -0.122 4.434 4.556 0.001 0.000 0.300 1846 H C 2.098 177.413 175.328 -0.022 0.000 1.082 1846 H CA 2.003 58.070 56.048 0.031 0.000 1.308 1846 H CB -0.227 29.527 29.762 -0.014 0.000 1.375 1846 H HN 0.307 nan 8.280 nan 0.000 0.495 1847 L N -0.503 120.706 121.223 -0.024 0.000 2.079 1847 L HA -0.181 4.160 4.340 0.001 0.000 0.210 1847 L C 2.408 179.169 176.870 -0.181 0.000 1.081 1847 L CA 0.895 55.677 54.840 -0.097 0.000 0.752 1847 L CB -0.382 41.658 42.059 -0.031 0.000 0.896 1847 L HN 0.316 nan 8.230 nan 0.000 0.433 1848 L N 0.008 121.135 121.223 -0.159 0.000 2.046 1848 L HA -0.096 4.245 4.340 0.001 0.000 0.208 1848 L C 2.430 178.995 176.870 -0.509 0.000 1.077 1848 L CA 2.038 56.746 54.840 -0.219 0.000 0.747 1848 L CB -1.054 40.964 42.059 -0.067 0.000 0.896 1848 L HN 0.163 nan 8.230 nan 0.000 0.432 1849 G N -1.572 106.849 108.800 -0.632 0.000 2.432 1849 G HA2 -0.179 3.782 3.960 0.001 0.000 0.219 1849 G HA3 -0.179 3.782 3.960 0.001 0.000 0.219 1849 G C 1.513 176.025 174.900 -0.647 0.000 1.135 1849 G CA 1.021 45.482 45.100 -1.064 0.000 0.767 1849 G HN 0.327 nan 8.290 nan 0.000 0.550 1850 V N 0.527 120.159 119.914 -0.470 0.000 2.307 1850 V HA -0.221 3.900 4.120 0.001 0.000 0.245 1850 V C 2.856 178.792 176.094 -0.264 0.000 1.045 1850 V CA 2.029 64.132 62.300 -0.328 0.000 1.024 1850 V CB -0.671 30.994 31.823 -0.263 0.000 0.651 1850 V HN 0.422 nan 8.190 nan 0.000 0.449 1851 Q N -0.313 119.330 119.800 -0.263 0.000 2.181 1851 Q HA -0.177 4.164 4.340 0.001 0.000 0.205 1851 Q C 2.337 178.214 176.000 -0.205 0.000 0.980 1851 Q CA 1.751 57.438 55.803 -0.194 0.000 0.862 1851 Q CB -0.359 28.270 28.738 -0.182 0.000 0.905 1851 Q HN 0.567 nan 8.270 nan 0.000 0.429 1852 V N 0.854 120.538 119.914 -0.384 0.000 2.379 1852 V HA -0.267 3.854 4.120 0.001 0.000 0.245 1852 V C 2.324 178.283 176.094 -0.225 0.000 1.044 1852 V CA 1.941 64.005 62.300 -0.394 0.000 1.036 1852 V CB -0.579 30.734 31.823 -0.851 0.000 0.664 1852 V HN 0.347 nan 8.190 nan 0.000 0.453 1853 Q N 0.640 120.281 119.800 -0.264 0.000 2.061 1853 Q HA -0.261 4.080 4.340 0.001 0.000 0.204 1853 Q C 2.145 178.104 176.000 -0.069 0.000 0.984 1853 Q CA 2.130 57.849 55.803 -0.141 0.000 0.846 1853 Q CB -0.442 28.212 28.738 -0.141 0.000 0.902 1853 Q HN 0.673 nan 8.270 nan 0.000 0.421 1854 Q N -1.032 118.729 119.800 -0.065 0.000 2.084 1854 Q HA -0.135 4.205 4.340 0.001 0.000 0.202 1854 Q C 1.872 177.883 176.000 0.019 0.000 0.978 1854 Q CA 1.447 57.235 55.803 -0.025 0.000 0.844 1854 Q CB -0.243 28.480 28.738 -0.024 0.000 0.898 1854 Q HN 0.501 nan 8.270 nan 0.000 0.426 1855 F N 1.524 121.414 119.950 -0.101 0.000 2.186 1855 F HA -0.185 4.343 4.527 0.001 0.000 0.299 1855 F C 2.102 177.894 175.800 -0.013 0.000 1.090 1855 F CA 1.339 59.300 58.000 -0.065 0.000 1.307 1855 F CB 0.112 39.035 39.000 -0.128 0.000 1.019 1855 F HN 0.023 nan 8.300 nan 0.000 0.489 1856 Q N 0.037 119.881 119.800 0.073 0.000 2.084 1856 Q HA -0.211 4.130 4.340 0.001 0.000 0.202 1856 Q C 1.791 177.739 176.000 -0.087 0.000 0.978 1856 Q CA 1.737 57.542 55.803 0.003 0.000 0.844 1856 Q CB -0.273 28.481 28.738 0.027 0.000 0.898 1856 Q HN 0.403 nan 8.270 nan 0.000 0.426 1857 D N -0.080 120.273 120.400 -0.079 0.000 2.117 1857 D HA -0.123 4.518 4.640 0.001 0.000 0.197 1857 D C 2.003 178.221 176.300 -0.137 0.000 0.987 1857 D CA 0.927 54.875 54.000 -0.088 0.000 0.829 1857 D CB -0.170 40.593 40.800 -0.061 0.000 0.961 1857 D HN 0.053 nan 8.370 nan 0.000 0.460 1858 V N 1.645 121.453 119.914 -0.177 0.000 2.295 1858 V HA -0.249 3.872 4.120 0.001 0.000 0.246 1858 V C 2.598 178.468 176.094 -0.373 0.000 1.049 1858 V CA 1.804 63.963 62.300 -0.234 0.000 1.024 1858 V CB -0.894 30.811 31.823 -0.197 0.000 0.648 1858 V HN 0.180 nan 8.190 nan 0.000 0.447 1859 A N -0.294 122.268 122.820 -0.430 0.000 1.917 1859 A HA -0.276 4.044 4.320 0.001 0.000 0.219 1859 A C 2.400 179.797 177.584 -0.312 0.000 1.182 1859 A CA 2.736 54.485 52.037 -0.479 0.000 0.633 1859 A CB -1.053 17.783 19.000 -0.274 0.000 0.819 1859 A HN 0.514 nan 8.150 nan 0.000 0.448 1860 T N -0.693 113.744 114.554 -0.195 0.000 2.674 1860 T HA -0.166 4.185 4.350 0.001 0.000 0.265 1860 T C 2.084 176.706 174.700 -0.130 0.000 1.039 1860 T CA 1.602 63.625 62.100 -0.129 0.000 1.150 1860 T CB -0.282 68.536 68.868 -0.084 0.000 0.864 1860 T HN 0.681 nan 8.240 nan 0.000 0.427 1861 R N 0.941 121.357 120.500 -0.140 0.000 2.080 1861 R HA -0.066 4.274 4.340 0.001 0.000 0.236 1861 R C 2.386 178.614 176.300 -0.120 0.000 1.137 1861 R CA 1.489 57.521 56.100 -0.113 0.000 0.943 1861 R CB -0.652 29.587 30.300 -0.102 0.000 0.846 1861 R HN 0.355 nan 8.270 nan 0.000 0.431 1862 L N 0.621 121.725 121.223 -0.199 0.000 2.012 1862 L HA -0.205 4.136 4.340 0.001 0.000 0.210 1862 L C 2.893 179.736 176.870 -0.045 0.000 1.073 1862 L CA 1.730 56.474 54.840 -0.160 0.000 0.748 1862 L CB -0.615 41.193 42.059 -0.419 0.000 0.891 1862 L HN 0.400 nan 8.230 nan 0.000 0.431 1863 Q N -0.486 119.242 119.800 -0.121 0.000 2.133 1863 Q HA -0.256 4.085 4.340 0.001 0.000 0.208 1863 Q C 2.132 178.137 176.000 0.009 0.000 0.991 1863 Q CA 2.542 58.319 55.803 -0.043 0.000 0.867 1863 Q CB -0.228 28.471 28.738 -0.065 0.000 0.911 1863 Q HN 0.428 nan 8.270 nan 0.000 0.417 1864 T N -0.019 114.520 114.554 -0.025 0.000 2.653 1864 T HA -0.303 4.048 4.350 0.001 0.000 0.267 1864 T C 1.558 176.237 174.700 -0.036 0.000 1.037 1864 T CA 1.589 63.671 62.100 -0.030 0.000 1.159 1864 T CB -0.320 68.521 68.868 -0.045 0.000 0.859 1864 T HN 0.497 nan 8.240 nan 0.000 0.449 1865 A N -0.907 121.893 122.820 -0.033 0.000 2.072 1865 A HA 0.261 4.582 4.320 0.001 0.000 0.216 1865 A C 0.552 177.932 177.584 -0.340 0.000 1.156 1865 A CA 0.444 52.375 52.037 -0.177 0.000 0.701 1865 A CB -0.123 18.737 19.000 -0.233 0.000 0.816 1865 A HN 0.556 nan 8.150 nan 0.000 0.458 1866 Y N -1.942 118.316 120.300 -0.069 0.000 2.631 1866 Y HA 0.679 5.230 4.550 0.001 0.000 0.328 1866 Y C 0.489 176.366 175.900 -0.038 0.000 1.118 1866 Y CA -0.316 57.754 58.100 -0.050 0.000 1.206 1866 Y CB 1.502 39.931 38.460 -0.052 0.000 1.337 1866 Y HN 0.196 nan 8.280 nan 0.000 0.515 1867 A N -0.254 122.651 122.820 0.141 0.000 2.568 1867 A HA 0.741 5.061 4.320 0.001 0.000 0.291 1867 A C 0.200 177.828 177.584 0.074 0.000 1.159 1867 A CA -0.266 51.815 52.037 0.073 0.000 0.679 1867 A CB 0.524 19.540 19.000 0.028 0.000 1.285 1867 A HN 1.439 nan 8.150 nan 0.000 0.428 1868 G N 0.018 108.846 108.800 0.046 0.000 2.611 1868 G HA2 -0.328 3.633 3.960 0.001 0.000 0.301 1868 G HA3 -0.328 3.633 3.960 0.001 0.000 0.301 1868 G C 0.839 175.767 174.900 0.045 0.000 1.233 1868 G CA 1.418 46.541 45.100 0.039 0.000 0.993 1868 G HN 1.207 nan 8.290 nan 0.000 0.553 1869 E N -0.429 119.796 120.200 0.043 0.000 2.072 1869 E HA -0.031 4.320 4.350 0.001 0.000 0.191 1869 E C 2.632 179.255 176.600 0.038 0.000 0.985 1869 E CA 1.471 57.892 56.400 0.034 0.000 0.801 1869 E CB -0.094 29.620 29.700 0.024 0.000 0.750 1869 E HN 0.337 nan 8.360 nan 0.000 0.452 1870 K N -0.081 120.351 120.400 0.053 0.000 2.097 1870 K HA -0.065 4.255 4.320 0.001 0.000 0.206 1870 K C 1.974 178.577 176.600 0.004 0.000 1.049 1870 K CA 1.057 57.360 56.287 0.026 0.000 0.933 1870 K CB -0.276 32.247 32.500 0.039 0.000 0.717 1870 K HN 0.154 nan 8.250 nan 0.000 0.442 1871 A N 1.099 123.952 122.820 0.054 0.000 1.969 1871 A HA -0.145 4.176 4.320 0.001 0.000 0.218 1871 A C 2.014 179.614 177.584 0.027 0.000 1.169 1871 A CA 1.291 53.349 52.037 0.035 0.000 0.635 1871 A CB -0.252 18.789 19.000 0.068 0.000 0.810 1871 A HN 0.336 nan 8.150 nan 0.000 0.445 1872 E N -0.477 119.747 120.200 0.041 0.000 2.107 1872 E HA -0.050 4.301 4.350 0.001 0.000 0.191 1872 E C 2.245 178.889 176.600 0.073 0.000 0.982 1872 E CA 0.727 57.154 56.400 0.046 0.000 0.809 1872 E CB -0.153 29.569 29.700 0.037 0.000 0.756 1872 E HN 0.616 nan 8.360 nan 0.000 0.459 1873 A N 0.814 123.689 122.820 0.093 0.000 1.929 1873 A HA -0.125 4.196 4.320 0.001 0.000 0.216 1873 A C 2.054 179.830 177.584 0.320 0.000 1.176 1873 A CA 0.789 52.928 52.037 0.170 0.000 0.628 1873 A CB -0.370 18.700 19.000 0.117 0.000 0.816 1873 A HN 0.130 nan 8.150 nan 0.000 0.444 1874 I N -0.777 119.918 120.570 0.208 0.000 2.163 1874 I HA -0.304 3.867 4.170 0.001 0.000 0.240 1874 I C 2.787 178.967 176.117 0.105 0.000 1.081 1874 I CA 1.861 63.202 61.300 0.069 0.000 1.353 1874 I CB -0.332 37.500 38.000 -0.279 0.000 1.054 1874 I HN 0.494 nan 8.210 nan 0.000 0.407 1875 Q N 0.922 120.752 119.800 0.051 0.000 2.061 1875 Q HA -0.261 4.080 4.340 0.001 0.000 0.204 1875 Q C 2.026 178.090 176.000 0.107 0.000 0.984 1875 Q CA 1.982 57.820 55.803 0.058 0.000 0.846 1875 Q CB -0.011 28.749 28.738 0.036 0.000 0.902 1875 Q HN 0.427 nan 8.270 nan 0.000 0.421 1876 N N 0.450 119.221 118.700 0.119 0.000 2.104 1876 N HA -0.179 4.562 4.740 0.001 0.000 0.190 1876 N C 1.541 177.143 175.510 0.154 0.000 1.024 1876 N CA 1.437 54.558 53.050 0.119 0.000 0.853 1876 N CB -0.255 38.294 38.487 0.104 0.000 1.008 1876 N HN 0.121 nan 8.380 nan 0.000 0.424 1877 K N 1.482 122.022 120.400 0.233 0.000 2.148 1877 K HA -0.060 4.261 4.320 0.001 0.000 0.204 1877 K C 1.758 178.512 176.600 0.257 0.000 1.050 1877 K CA 0.840 57.272 56.287 0.240 0.000 0.942 1877 K CB -0.137 32.559 32.500 0.325 0.000 0.724 1877 K HN 0.141 nan 8.250 nan 0.000 0.446 1878 E N 0.771 121.155 120.200 0.306 0.000 2.047 1878 E HA -0.214 4.137 4.350 0.001 0.000 0.191 1878 E C 1.725 178.441 176.600 0.193 0.000 0.987 1878 E CA 1.440 58.038 56.400 0.331 0.000 0.799 1878 E CB 0.014 29.842 29.700 0.213 0.000 0.752 1878 E HN 0.462 nan 8.360 nan 0.000 0.449 1879 Q N 0.297 120.179 119.800 0.137 0.000 2.084 1879 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 1879 Q C 2.219 178.270 176.000 0.084 0.000 0.978 1879 Q CA 1.687 57.549 55.803 0.098 0.000 0.844 1879 Q CB -0.148 28.636 28.738 0.077 0.000 0.898 1879 Q HN 0.385 nan 8.270 nan 0.000 0.426 1880 E N 0.239 120.485 120.200 0.078 0.000 2.051 1880 E HA -0.177 4.174 4.350 0.001 0.000 0.192 1880 E C 1.984 178.601 176.600 0.030 0.000 0.991 1880 E CA 1.112 57.539 56.400 0.046 0.000 0.799 1880 E CB 0.135 29.855 29.700 0.033 0.000 0.748 1880 E HN 0.118 nan 8.360 nan 0.000 0.449 1881 V N 0.697 120.619 119.914 0.013 0.000 2.343 1881 V HA -0.256 3.865 4.120 0.001 0.000 0.247 1881 V C 2.351 178.477 176.094 0.053 0.000 1.051 1881 V CA 2.047 64.313 62.300 -0.057 0.000 1.036 1881 V CB -0.368 31.302 31.823 -0.255 0.000 0.654 1881 V HN 0.297 nan 8.190 nan 0.000 0.451 1882 S N 0.269 116.035 115.700 0.110 0.000 2.383 1882 S HA -0.129 4.342 4.470 0.001 0.000 0.227 1882 S C 2.208 176.926 174.600 0.196 0.000 1.026 1882 S CA 1.240 59.554 58.200 0.191 0.000 0.981 1882 S CB -0.493 62.803 63.200 0.160 0.000 0.818 1882 S HN 0.649 nan 8.310 nan 0.000 0.472 1883 A N 1.906 124.797 122.820 0.118 0.000 1.883 1883 A HA 0.061 4.381 4.320 0.001 0.000 0.217 1883 A C 2.396 180.031 177.584 0.085 0.000 1.186 1883 A CA 1.778 53.865 52.037 0.083 0.000 0.624 1883 A CB -1.186 17.846 19.000 0.054 0.000 0.822 1883 A HN 0.531 nan 8.150 nan 0.000 0.444 1884 A N -1.286 121.590 122.820 0.094 0.000 1.933 1884 A HA -0.179 4.142 4.320 0.001 0.000 0.218 1884 A C 2.120 179.799 177.584 0.159 0.000 1.175 1884 A CA 1.361 53.457 52.037 0.098 0.000 0.628 1884 A CB -0.904 18.136 19.000 0.065 0.000 0.814 1884 A HN 0.898 nan 8.150 nan 0.000 0.444 1885 W N 0.286 121.583 121.300 -0.005 0.000 2.381 1885 W HA -0.179 4.482 4.660 0.001 0.000 0.301 1885 W C 1.942 178.464 176.519 0.006 0.000 1.205 1885 W CA 1.795 59.133 57.345 -0.012 0.000 1.285 1885 W CB -0.231 29.209 29.460 -0.034 0.000 1.133 1885 W HN 0.333 nan 8.180 nan 0.000 0.521 1886 Q N 0.935 120.650 119.800 -0.142 0.000 2.002 1886 Q HA -0.182 4.159 4.340 0.001 0.000 0.204 1886 Q C 2.562 178.441 176.000 -0.201 0.000 0.988 1886 Q CA 2.372 58.035 55.803 -0.233 0.000 0.843 1886 Q CB -1.329 27.377 28.738 -0.052 0.000 0.908 1886 Q HN 0.376 nan 8.270 nan 0.000 0.420 1887 A N 0.890 123.676 122.820 -0.057 0.000 1.940 1887 A HA -0.233 4.088 4.320 0.001 0.000 0.221 1887 A C 2.113 179.693 177.584 -0.007 0.000 1.190 1887 A CA 1.857 53.917 52.037 0.037 0.000 0.647 1887 A CB -0.836 18.241 19.000 0.129 0.000 0.821 1887 A HN 0.375 nan 8.150 nan 0.000 0.457 1888 L N -0.411 120.754 121.223 -0.097 0.000 2.056 1888 L HA -0.076 4.264 4.340 0.001 0.000 0.207 1888 L C 2.320 178.971 176.870 -0.366 0.000 1.078 1888 L CA 1.572 56.240 54.840 -0.287 0.000 0.749 1888 L CB -0.568 41.382 42.059 -0.183 0.000 0.901 1888 L HN 0.426 nan 8.230 nan 0.000 0.433 1889 L N -0.727 120.195 121.223 -0.502 0.000 2.017 1889 L HA -0.233 4.108 4.340 0.001 0.000 0.208 1889 L C 2.325 179.052 176.870 -0.239 0.000 1.073 1889 L CA 1.650 56.225 54.840 -0.441 0.000 0.745 1889 L CB -0.878 40.852 42.059 -0.549 0.000 0.894 1889 L HN 0.317 nan 8.230 nan 0.000 0.432 1890 D N 0.248 120.531 120.400 -0.194 0.000 2.104 1890 D HA -0.169 4.471 4.640 0.001 0.000 0.194 1890 D C 2.114 178.356 176.300 -0.097 0.000 0.994 1890 D CA 1.632 55.565 54.000 -0.112 0.000 0.830 1890 D CB 0.004 40.762 40.800 -0.071 0.000 0.959 1890 D HN 0.315 nan 8.370 nan 0.000 0.452 1891 A N 0.232 122.976 122.820 -0.127 0.000 2.119 1891 A HA -0.015 4.306 4.320 0.001 0.000 0.217 1891 A C 2.420 179.933 177.584 -0.119 0.000 1.153 1891 A CA 1.549 53.510 52.037 -0.126 0.000 0.692 1891 A CB -0.807 18.087 19.000 -0.177 0.000 0.799 1891 A HN 0.527 nan 8.150 nan 0.000 0.458 1892 C N -0.743 118.492 119.300 -0.109 0.000 2.634 1892 C HA 0.681 5.141 4.460 0.001 0.000 0.268 1892 C C 1.800 176.777 174.990 -0.021 0.000 1.322 1892 C CA 0.529 59.529 59.018 -0.030 0.000 1.737 1892 C CB -1.388 26.409 27.740 0.095 0.000 1.976 1892 C HN 0.645 nan 8.230 nan 0.000 0.547 1893 A N 0.000 122.794 122.820 -0.043 0.000 2.254 1893 A HA 0.000 4.321 4.320 0.001 0.000 0.244 1893 A CA 0.000 52.019 52.037 -0.031 0.000 0.836 1893 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 1893 A HN 0.000 nan 8.150 nan 0.000 0.486