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 3kll_1_A DATA FIRST_RESID 746 DATA SEQUENCE QYYIDPTTGQ PRKNFLLQNG NDWIYFDKDT GAGTNALKLQ FDKGTISADE DATA SEQUENCE QYRRGNEAYS YDDKSIENVN GYLTADTWYR PKQILKDGTT WTDSKETDXR DATA SEQUENCE PILXVWWPNT VTQAYYLNYX KQYGNLLPAS LPSFSTDADS AELNHYSELV DATA SEQUENCE QQNIEKRISE TGSTDWLRTL XHEFVTKNSX WNKDSENVDY GGLQLQGGFL DATA SEQUENCE KYVNSDLTKY ANSDWRLXNR TATNIDGKNY GGAEFLLAND IDNSNPVVQA DATA SEQUENCE EELNWLYYLX NFGTITGNNP EANFDGIRVD AVDNVDVDLL SIARDYFNAA DATA SEQUENCE YNXEQSDASA NKHINILEDW GWDDPAYVNK IGNPQLTXDD RLRNAIXDTL DATA SEQUENCE SGAPDKNQAL NKLITQSLVN RANDNTENAV IPSYNFVRAH DSNAQDQIRQ DATA SEQUENCE AIQAATGKPY GEFNLDDEKK GXEAYINDQN STNKKWNLYN XPSAYTILLT DATA SEQUENCE NKDSVPRVYY GDLYQDGGQY XEHKTRYFDT ITNLLKTRVK YVAGGQTXSV DATA SEQUENCE DKNGILTNVR FGKGAXNATD TGTDETRTEG IGVVISNNTN LKLNDGESVV DATA SEQUENCE LHXGAAHKNQ KYRAVILTTE DGVKNYTNDT DAPVAYTDAN GDLHFTNTNL DATA SEQUENCE DGQQYTAVRG YANPDVTGYL AVWVPAGAAD DQDARTAPSD EAHTTKTAYR DATA SEQUENCE SNAALDSNVI YEGFSNFIYW PTTESERTNV RIAQNADLFK SWGITTFELA DATA SEQUENCE PQYNSSKDGT FLDSIIDNGY AFTDRYDLGX STPNKYGSDE DLRNALQALH DATA SEQUENCE KAGLQAIADW VPDQIYNLPG KEAVTVTRSD DHGTTWEVSP IKNVVYITNT DATA SEQUENCE IGGGEYQKKY GGEFLDTLQK EYPQLFSQVY PVTQTTIDPS VKIKEWSAKY DATA SEQUENCE FNGTNILHRG AGYVLRSNDG KYYNLGTSTQ QFLPSQLSVQ DNEGYGFVKE DATA SEQUENCE GNNYHYYDEN KQXVKDAFIQ DSVGNWYYLD KNGNXVANQS PVEISSNGAS DATA SEQUENCE GTYLFLNNGT SFRSGLVKTD AGTYYYDGDG RXVRNQTVSD GAXTYVLDEN DATA SEQUENCE GKLVSES 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 746 Q HA 0.000 nan 4.340 nan 0.000 0.214 746 Q C 0.000 175.959 176.000 -0.068 0.000 1.003 746 Q CA 0.000 55.846 55.803 0.071 0.000 1.022 746 Q CB 0.000 28.701 28.738 -0.061 0.000 1.108 747 Y N 0.200 120.697 120.300 0.328 0.000 2.524 747 Y HA 0.637 5.093 4.550 -0.156 0.000 0.344 747 Y C -1.286 174.669 175.900 0.092 0.000 1.012 747 Y CA -1.240 57.016 58.100 0.259 0.000 1.068 747 Y CB 1.753 40.287 38.460 0.124 0.000 1.249 747 Y HN 0.144 nan 8.280 nan 0.000 0.468 748 Y N 4.135 124.308 120.300 -0.211 0.000 2.338 748 Y HA 0.618 5.074 4.550 -0.156 0.000 0.328 748 Y C -0.964 174.827 175.900 -0.182 0.000 0.965 748 Y CA -1.217 56.651 58.100 -0.388 0.000 1.208 748 Y CB 0.644 38.504 38.460 -1.000 0.000 1.132 748 Y HN 0.510 nan 8.280 nan 0.000 0.469 749 I N 1.738 122.161 120.570 -0.244 0.000 2.797 749 I HA 0.529 4.605 4.170 -0.156 0.000 0.307 749 I C -0.891 175.093 176.117 -0.222 0.000 1.033 749 I CA -0.933 60.284 61.300 -0.139 0.000 1.071 749 I CB 1.738 39.689 38.000 -0.081 0.000 1.255 749 I HN 0.421 nan 8.210 nan 0.000 0.445 750 D N 5.687 126.024 120.400 -0.105 0.000 2.339 750 D HA 0.319 4.865 4.640 -0.156 0.000 0.241 750 D C -1.694 174.554 176.300 -0.086 0.000 1.183 750 D CA -2.495 51.450 54.000 -0.093 0.000 0.859 750 D CB 1.384 42.161 40.800 -0.037 0.000 1.067 750 D HN 0.369 nan 8.370 nan 0.000 0.484 751 P HA -0.130 nan 4.420 nan 0.000 0.222 751 P C 1.099 178.367 177.300 -0.053 0.000 1.147 751 P CA 1.094 64.148 63.100 -0.077 0.000 0.790 751 P CB -0.049 31.603 31.700 -0.080 0.000 0.780 752 T N -3.933 110.593 114.554 -0.046 0.000 3.043 752 T HA -0.017 4.239 4.350 -0.156 0.000 0.263 752 T C 1.579 176.260 174.700 -0.033 0.000 1.094 752 T CA 1.584 63.663 62.100 -0.035 0.000 1.127 752 T CB -1.154 67.696 68.868 -0.029 0.000 0.905 752 T HN 0.237 nan 8.240 nan 0.000 0.490 753 T N -3.285 111.248 114.554 -0.035 0.000 2.975 753 T HA 0.504 4.760 4.350 -0.156 0.000 0.257 753 T C 1.978 176.658 174.700 -0.033 0.000 1.003 753 T CA 0.718 62.799 62.100 -0.032 0.000 0.932 753 T CB -0.119 68.731 68.868 -0.030 0.000 1.087 753 T HN 0.787 nan 8.240 nan 0.000 0.512 754 G N 1.642 110.419 108.800 -0.038 0.000 2.220 754 G HA2 -0.256 3.610 3.960 -0.156 0.000 0.269 754 G HA3 -0.256 3.610 3.960 -0.156 0.000 0.269 754 G C 0.050 174.929 174.900 -0.035 0.000 0.977 754 G CA 0.245 45.322 45.100 -0.039 0.000 0.634 754 G HN 0.658 nan 8.290 nan 0.000 0.539 755 Q N 1.250 121.032 119.800 -0.029 0.000 2.286 755 Q HA 0.403 4.649 4.340 -0.156 0.000 0.257 755 Q C -2.159 173.836 176.000 -0.009 0.000 0.941 755 Q CA -1.734 54.059 55.803 -0.017 0.000 0.912 755 Q CB 1.426 30.156 28.738 -0.015 0.000 1.192 755 Q HN 0.385 nan 8.270 nan 0.000 0.410 756 P HA 0.198 nan 4.420 nan 0.000 0.278 756 P C -0.490 176.837 177.300 0.045 0.000 1.238 756 P CA -0.292 62.831 63.100 0.038 0.000 0.794 756 P CB 1.019 32.758 31.700 0.065 0.000 0.955 757 R N 2.570 123.096 120.500 0.043 0.000 2.254 757 R HA 0.351 4.597 4.340 -0.156 0.000 0.318 757 R C 0.338 176.697 176.300 0.099 0.000 1.031 757 R CA -0.364 55.728 56.100 -0.014 0.000 0.905 757 R CB 1.053 31.163 30.300 -0.317 0.000 1.050 757 R HN 0.466 nan 8.270 nan 0.000 0.456 758 K N 1.540 122.024 120.400 0.139 0.000 2.328 758 K HA 0.159 4.385 4.320 -0.156 0.000 0.246 758 K C -0.250 176.477 176.600 0.211 0.000 0.955 758 K CA -1.057 55.334 56.287 0.172 0.000 0.817 758 K CB 1.393 33.976 32.500 0.138 0.000 1.208 758 K HN 0.462 nan 8.250 nan 0.000 0.432 759 N N 1.583 120.381 118.700 0.163 0.000 2.667 759 N HA -0.241 4.405 4.740 -0.156 0.000 0.263 759 N C -1.798 174.017 175.510 0.508 0.000 1.038 759 N CA 0.444 53.645 53.050 0.252 0.000 0.749 759 N CB -0.863 37.742 38.487 0.197 0.000 0.892 759 N HN 0.501 nan 8.380 nan 0.000 0.546 760 F N 1.461 121.545 119.950 0.222 0.000 2.562 760 F HA 0.580 5.013 4.527 -0.156 0.000 0.319 760 F C -1.354 174.621 175.800 0.291 0.000 1.154 760 F CA -1.495 56.673 58.000 0.280 0.000 0.931 760 F CB 0.863 39.918 39.000 0.091 0.000 1.198 760 F HN 0.090 nan 8.300 nan 0.000 0.444 761 L N 7.619 128.748 121.223 -0.158 0.000 2.264 761 L HA 0.683 4.930 4.340 -0.156 0.000 0.289 761 L C -1.777 174.785 176.870 -0.513 0.000 1.044 761 L CA -0.542 54.135 54.840 -0.273 0.000 0.807 761 L CB 1.176 43.056 42.059 -0.297 0.000 1.192 761 L HN 0.685 nan 8.230 nan 0.000 0.425 762 L N 4.618 125.601 121.223 -0.401 0.000 2.381 762 L HA 0.500 4.747 4.340 -0.156 0.000 0.274 762 L C -0.647 176.091 176.870 -0.219 0.000 0.988 762 L CA -0.161 54.453 54.840 -0.376 0.000 0.824 762 L CB 1.770 43.579 42.059 -0.417 0.000 1.263 762 L HN 0.768 nan 8.230 nan 0.000 0.410 763 Q N 3.518 123.024 119.800 -0.491 0.000 2.279 763 Q HA 0.313 4.559 4.340 -0.156 0.000 0.256 763 Q C -1.055 174.633 176.000 -0.520 0.000 0.937 763 Q CA -0.157 54.979 55.803 -1.112 0.000 0.933 763 Q CB 0.797 28.591 28.738 -1.574 0.000 1.189 763 Q HN 0.700 nan 8.270 nan 0.000 0.417 764 N N 3.527 121.955 118.700 -0.454 0.000 2.617 764 N HA 0.356 5.002 4.740 -0.156 0.000 0.263 764 N C -0.045 175.329 175.510 -0.226 0.000 1.074 764 N CA 0.816 53.733 53.050 -0.223 0.000 0.841 764 N CB 0.989 39.423 38.487 -0.089 0.000 1.221 764 N HN 0.911 nan 8.380 nan 0.000 0.529 765 G N 3.556 112.234 108.800 -0.203 0.000 2.596 765 G HA2 -0.413 3.453 3.960 -0.156 0.000 0.304 765 G HA3 -0.413 3.453 3.960 -0.156 0.000 0.304 765 G C 0.715 175.501 174.900 -0.189 0.000 1.189 765 G CA 0.566 45.577 45.100 -0.148 0.000 0.986 765 G HN 0.607 nan 8.290 nan 0.000 0.548 766 N N 1.963 120.596 118.700 -0.111 0.000 2.467 766 N HA 0.219 4.865 4.740 -0.156 0.000 0.184 766 N C -0.316 175.152 175.510 -0.069 0.000 1.106 766 N CA 0.708 53.723 53.050 -0.059 0.000 0.892 766 N CB 0.191 38.682 38.487 0.007 0.000 0.969 766 N HN 0.447 nan 8.380 nan 0.000 0.454 767 D N -0.766 119.538 120.400 -0.159 0.000 2.225 767 D HA 0.200 4.747 4.640 -0.156 0.000 0.249 767 D C -0.696 175.430 176.300 -0.290 0.000 1.052 767 D CA -0.101 53.835 54.000 -0.107 0.000 0.909 767 D CB 0.729 41.487 40.800 -0.070 0.000 1.186 767 D HN 0.047 nan 8.370 nan 0.000 0.431 768 W N 1.194 122.460 121.300 -0.057 0.000 2.600 768 W HA 0.510 5.076 4.660 -0.156 0.000 0.325 768 W C -0.348 176.094 176.519 -0.129 0.000 1.034 768 W CA -0.627 56.664 57.345 -0.089 0.000 1.226 768 W CB 0.969 30.375 29.460 -0.090 0.000 1.379 768 W HN 0.052 nan 8.180 nan 0.000 0.466 769 I N 3.617 124.185 120.570 -0.003 0.000 2.378 769 I HA 0.212 4.289 4.170 -0.156 0.000 0.291 769 I C -0.982 174.952 176.117 -0.306 0.000 0.992 769 I CA -1.272 59.887 61.300 -0.235 0.000 1.154 769 I CB 1.205 38.944 38.000 -0.435 0.000 1.315 769 I HN 0.286 nan 8.210 nan 0.000 0.448 770 Y N 7.330 127.392 120.300 -0.395 0.000 2.353 770 Y HA 0.512 4.968 4.550 -0.156 0.000 0.340 770 Y C -1.199 174.481 175.900 -0.367 0.000 0.972 770 Y CA -1.010 56.922 58.100 -0.280 0.000 1.157 770 Y CB 0.589 38.977 38.460 -0.120 0.000 1.157 770 Y HN 0.304 nan 8.280 nan 0.000 0.495 771 F N 5.717 125.298 119.950 -0.616 0.000 2.405 771 F HA 0.219 4.652 4.527 -0.156 0.000 0.355 771 F C 0.470 175.823 175.800 -0.746 0.000 1.121 771 F CA -0.901 56.830 58.000 -0.448 0.000 1.112 771 F CB 0.480 39.429 39.000 -0.085 0.000 1.126 771 F HN 0.554 nan 8.300 nan 0.000 0.481 772 D N 2.683 122.882 120.400 -0.335 0.000 2.371 772 D HA 0.076 4.622 4.640 -0.156 0.000 0.242 772 D C 0.749 177.062 176.300 0.021 0.000 1.218 772 D CA -0.344 53.545 54.000 -0.184 0.000 0.945 772 D CB 0.845 41.693 40.800 0.081 0.000 1.137 772 D HN 0.490 nan 8.370 nan 0.000 0.464 773 K N -0.388 120.089 120.400 0.129 0.000 2.057 773 K HA -0.118 4.109 4.320 -0.156 0.000 0.207 773 K C 1.344 178.012 176.600 0.113 0.000 1.049 773 K CA 1.621 57.987 56.287 0.132 0.000 0.931 773 K CB 0.018 32.601 32.500 0.138 0.000 0.714 773 K HN 0.429 nan 8.250 nan 0.000 0.440 774 D N -0.619 119.847 120.400 0.110 0.000 2.110 774 D HA -0.077 4.469 4.640 -0.156 0.000 0.202 774 D C 1.836 178.204 176.300 0.113 0.000 0.975 774 D CA 1.755 55.815 54.000 0.101 0.000 0.839 774 D CB -0.046 40.808 40.800 0.090 0.000 0.996 774 D HN 0.326 nan 8.370 nan 0.000 0.464 775 T N -4.122 110.516 114.554 0.140 0.000 3.003 775 T HA 0.412 4.668 4.350 -0.156 0.000 0.261 775 T C 1.531 176.398 174.700 0.279 0.000 1.003 775 T CA 0.534 62.751 62.100 0.194 0.000 0.917 775 T CB 1.070 70.079 68.868 0.234 0.000 1.084 775 T HN 0.201 nan 8.240 nan 0.000 0.522 776 G N 1.617 110.549 108.800 0.219 0.000 2.148 776 G HA2 -0.045 3.821 3.960 -0.156 0.000 0.254 776 G HA3 -0.045 3.821 3.960 -0.156 0.000 0.254 776 G C 0.297 175.352 174.900 0.258 0.000 0.981 776 G CA -0.127 45.134 45.100 0.268 0.000 0.670 776 G HN 1.240 nan 8.290 nan 0.000 0.528 777 A N 0.272 123.137 122.820 0.075 0.000 2.450 777 A HA 0.674 4.900 4.320 -0.156 0.000 0.255 777 A C 1.047 178.527 177.584 -0.174 0.000 1.096 777 A CA 0.811 52.693 52.037 -0.259 0.000 0.778 777 A CB 0.573 19.477 19.000 -0.159 0.000 1.031 777 A HN 1.746 nan 8.150 nan 0.000 0.494 778 G N 0.747 109.388 108.800 -0.264 0.000 2.372 778 G HA2 0.512 4.379 3.960 -0.156 0.000 0.283 778 G HA3 0.512 4.379 3.960 -0.156 0.000 0.283 778 G C -0.163 174.523 174.900 -0.357 0.000 1.177 778 G CA 0.161 44.925 45.100 -0.559 0.000 0.842 778 G HN 0.885 nan 8.290 nan 0.000 0.503 779 T N 0.326 114.689 114.554 -0.318 0.000 2.896 779 T HA 0.317 4.573 4.350 -0.156 0.000 0.297 779 T C -0.245 174.381 174.700 -0.123 0.000 1.108 779 T CA -0.821 61.191 62.100 -0.147 0.000 1.004 779 T CB 1.384 70.230 68.868 -0.037 0.000 1.159 779 T HN 0.487 nan 8.240 nan 0.000 0.499 780 N N 2.254 120.915 118.700 -0.065 0.000 2.418 780 N HA 0.129 4.775 4.740 -0.156 0.000 0.277 780 N C 1.279 176.792 175.510 0.006 0.000 1.317 780 N CA 0.512 53.547 53.050 -0.025 0.000 0.922 780 N CB 0.767 39.251 38.487 -0.005 0.000 1.194 780 N HN 0.713 nan 8.380 nan 0.000 0.485 781 A N 4.897 127.736 122.820 0.031 0.000 1.948 781 A HA -0.144 4.082 4.320 -0.156 0.000 0.220 781 A C 2.115 179.691 177.584 -0.013 0.000 1.177 781 A CA 1.077 53.129 52.037 0.025 0.000 0.636 781 A CB -0.404 18.628 19.000 0.054 0.000 0.815 781 A HN 0.758 nan 8.150 nan 0.000 0.449 782 L N -1.620 119.616 121.223 0.021 0.000 2.465 782 L HA -0.051 4.195 4.340 -0.156 0.000 0.224 782 L C 1.747 178.619 176.870 0.002 0.000 1.145 782 L CA 0.989 55.830 54.840 0.002 0.000 0.834 782 L CB -0.165 41.921 42.059 0.045 0.000 0.944 782 L HN 0.339 nan 8.230 nan 0.000 0.451 783 K N -0.197 120.207 120.400 0.006 0.000 2.358 783 K HA 0.244 4.470 4.320 -0.156 0.000 0.200 783 K C 0.181 176.785 176.600 0.006 0.000 1.030 783 K CA -0.249 56.043 56.287 0.009 0.000 1.097 783 K CB 0.513 33.020 32.500 0.011 0.000 0.862 783 K HN 0.158 nan 8.250 nan 0.000 0.534 784 L N 2.717 123.936 121.223 -0.007 0.000 2.559 784 L HA -0.042 4.204 4.340 -0.156 0.000 0.274 784 L C 0.232 177.108 176.870 0.010 0.000 1.205 784 L CA 0.428 55.260 54.840 -0.014 0.000 0.907 784 L CB 0.165 42.188 42.059 -0.060 0.000 1.153 784 L HN 0.094 nan 8.230 nan 0.000 0.490 785 Q N 2.936 122.749 119.800 0.021 0.000 2.365 785 Q HA 0.325 4.571 4.340 -0.156 0.000 0.269 785 Q C -0.673 175.360 176.000 0.055 0.000 1.061 785 Q CA -0.911 54.929 55.803 0.061 0.000 0.816 785 Q CB 2.356 31.131 28.738 0.062 0.000 1.325 785 Q HN 0.382 nan 8.270 nan 0.000 0.446 786 F N 2.721 122.624 119.950 -0.079 0.000 2.608 786 F HA -0.082 4.352 4.527 -0.156 0.000 0.380 786 F C 0.612 176.300 175.800 -0.187 0.000 1.083 786 F CA 0.125 57.996 58.000 -0.214 0.000 1.266 786 F CB 0.466 39.154 39.000 -0.521 0.000 1.076 786 F HN 0.358 nan 8.300 nan 0.000 0.574 787 D N 6.368 126.246 120.400 -0.869 0.000 2.346 787 D HA 0.006 4.552 4.640 -0.156 0.000 0.260 787 D C 0.860 176.736 176.300 -0.708 0.000 1.252 787 D CA 0.176 53.803 54.000 -0.622 0.000 0.895 787 D CB 0.825 41.333 40.800 -0.487 0.000 1.097 787 D HN 0.676 nan 8.370 nan 0.000 0.489 788 K N 2.124 122.398 120.400 -0.211 0.000 2.211 788 K HA -0.100 4.126 4.320 -0.156 0.000 0.204 788 K C 1.636 178.236 176.600 0.000 0.000 1.047 788 K CA 1.077 57.388 56.287 0.040 0.000 0.935 788 K CB 0.147 32.723 32.500 0.127 0.000 0.728 788 K HN 0.445 nan 8.250 nan 0.000 0.452 789 G N 0.890 109.630 108.800 -0.099 0.000 3.088 789 G HA2 -0.043 3.823 3.960 -0.156 0.000 0.212 789 G HA3 -0.043 3.823 3.960 -0.156 0.000 0.212 789 G C 0.116 174.965 174.900 -0.084 0.000 1.173 789 G CA -0.222 44.844 45.100 -0.056 0.000 0.779 789 G HN 0.094 nan 8.290 nan 0.000 0.540 790 T N 1.601 116.021 114.554 -0.223 0.000 2.928 790 T HA 0.366 4.622 4.350 -0.156 0.000 0.305 790 T C 0.307 175.053 174.700 0.076 0.000 1.035 790 T CA 0.436 62.392 62.100 -0.242 0.000 1.145 790 T CB 0.802 69.226 68.868 -0.739 0.000 0.963 790 T HN 0.381 nan 8.240 nan 0.000 0.545 791 I N -0.435 120.206 120.570 0.117 0.000 2.785 791 I HA 0.709 4.785 4.170 -0.156 0.000 0.302 791 I C 0.280 176.574 176.117 0.294 0.000 1.069 791 I CA -1.183 60.271 61.300 0.257 0.000 1.045 791 I CB 2.196 40.275 38.000 0.131 0.000 1.236 791 I HN 0.560 nan 8.210 nan 0.000 0.429 792 S N 3.380 119.303 115.700 0.372 0.000 2.593 792 S HA 0.487 4.863 4.470 -0.156 0.000 0.269 792 S C 1.294 175.977 174.600 0.138 0.000 1.334 792 S CA -0.125 58.230 58.200 0.260 0.000 1.015 792 S CB 1.555 64.873 63.200 0.196 0.000 0.912 792 S HN 1.046 nan 8.310 nan 0.000 0.541 793 A N 1.465 124.334 122.820 0.082 0.000 1.948 793 A HA -0.168 4.058 4.320 -0.156 0.000 0.220 793 A C 1.806 179.484 177.584 0.156 0.000 1.177 793 A CA 1.973 54.070 52.037 0.101 0.000 0.636 793 A CB -1.111 17.926 19.000 0.061 0.000 0.815 793 A HN 0.896 nan 8.150 nan 0.000 0.449 794 D N -0.855 119.626 120.400 0.134 0.000 2.117 794 D HA -0.139 4.407 4.640 -0.156 0.000 0.197 794 D C 1.939 178.324 176.300 0.142 0.000 0.987 794 D CA 1.704 55.790 54.000 0.144 0.000 0.829 794 D CB -0.285 40.596 40.800 0.136 0.000 0.961 794 D HN 0.611 nan 8.370 nan 0.000 0.460 795 E N 0.898 121.173 120.200 0.125 0.000 2.106 795 E HA -0.163 4.093 4.350 -0.156 0.000 0.192 795 E C 1.957 178.546 176.600 -0.018 0.000 0.984 795 E CA 0.970 57.411 56.400 0.068 0.000 0.806 795 E CB -0.184 29.572 29.700 0.094 0.000 0.750 795 E HN 0.275 nan 8.360 nan 0.000 0.458 796 Q N -1.087 118.685 119.800 -0.047 0.000 2.124 796 Q HA -0.234 4.012 4.340 -0.156 0.000 0.202 796 Q C 1.881 177.571 176.000 -0.517 0.000 0.977 796 Q CA 1.565 57.217 55.803 -0.250 0.000 0.850 796 Q CB -0.309 28.308 28.738 -0.203 0.000 0.901 796 Q HN 0.505 nan 8.270 nan 0.000 0.429 797 Y N 0.778 120.875 120.300 -0.338 0.000 2.163 797 Y HA -0.202 4.255 4.550 -0.157 0.000 0.288 797 Y C 2.675 178.461 175.900 -0.189 0.000 1.136 797 Y CA 1.867 59.835 58.100 -0.220 0.000 1.147 797 Y CB -0.027 38.538 38.460 0.175 0.000 0.987 797 Y HN 0.048 nan 8.280 nan 0.000 0.509 798 R N 0.675 121.245 120.500 0.117 0.000 2.096 798 R HA -0.213 4.033 4.340 -0.156 0.000 0.240 798 R C 2.191 178.457 176.300 -0.056 0.000 1.139 798 R CA 2.037 58.174 56.100 0.062 0.000 0.952 798 R CB -0.288 30.034 30.300 0.035 0.000 0.854 798 R HN 0.355 nan 8.270 nan 0.000 0.436 799 R N -0.890 119.520 120.500 -0.149 0.000 2.090 799 R HA -0.032 4.214 4.340 -0.156 0.000 0.228 799 R C 2.412 178.564 176.300 -0.247 0.000 1.110 799 R CA 1.061 57.055 56.100 -0.178 0.000 0.973 799 R CB -0.484 29.709 30.300 -0.178 0.000 0.869 799 R HN 0.387 nan 8.270 nan 0.000 0.440 800 G N 1.244 109.738 108.800 -0.510 0.000 2.442 800 G HA2 -0.260 3.607 3.960 -0.156 0.000 0.219 800 G HA3 -0.260 3.607 3.960 -0.156 0.000 0.219 800 G C 1.222 176.033 174.900 -0.148 0.000 1.141 800 G CA 0.744 45.494 45.100 -0.583 0.000 0.763 800 G HN 0.237 nan 8.290 nan 0.000 0.554 801 N N 0.602 119.261 118.700 -0.069 0.000 2.412 801 N HA 0.088 4.734 4.740 -0.156 0.000 0.184 801 N C 0.676 176.288 175.510 0.171 0.000 1.101 801 N CA 0.020 53.150 53.050 0.133 0.000 0.881 801 N CB 0.214 38.812 38.487 0.185 0.000 0.969 801 N HN 0.511 nan 8.380 nan 0.000 0.459 802 E N 0.392 120.632 120.200 0.066 0.000 2.418 802 E HA 0.219 4.475 4.350 -0.156 0.000 0.261 802 E C 0.101 176.803 176.600 0.170 0.000 1.070 802 E CA -0.236 56.197 56.400 0.055 0.000 0.931 802 E CB 0.672 30.359 29.700 -0.021 0.000 0.954 802 E HN 0.183 nan 8.360 nan 0.000 0.439 803 A N 2.190 125.096 122.820 0.144 0.000 2.445 803 A HA -0.069 4.157 4.320 -0.156 0.000 0.242 803 A C 0.429 178.086 177.584 0.121 0.000 1.075 803 A CA 0.062 52.256 52.037 0.261 0.000 0.777 803 A CB 0.060 19.172 19.000 0.188 0.000 1.013 803 A HN 0.872 nan 8.150 nan 0.000 0.493 804 Y N 2.466 122.790 120.300 0.041 0.000 2.181 804 Y HA -0.044 4.412 4.550 -0.157 0.000 0.288 804 Y C 1.113 176.941 175.900 -0.120 0.000 1.146 804 Y CA 1.947 60.020 58.100 -0.044 0.000 1.164 804 Y CB 0.078 38.518 38.460 -0.033 0.000 0.982 804 Y HN 0.860 nan 8.280 nan 0.000 0.515 805 S N -3.037 112.662 115.700 -0.002 0.000 2.643 805 S HA 0.278 4.654 4.470 -0.156 0.000 0.270 805 S C -1.025 173.531 174.600 -0.072 0.000 1.166 805 S CA -0.821 57.253 58.200 -0.210 0.000 0.815 805 S CB 0.128 63.297 63.200 -0.052 0.000 1.139 805 S HN 0.193 nan 8.310 nan 0.000 0.472 806 Y N 0.452 120.748 120.300 -0.007 0.000 2.746 806 Y HA 0.324 4.781 4.550 -0.156 0.000 0.312 806 Y C 0.227 176.119 175.900 -0.014 0.000 1.117 806 Y CA -0.972 57.113 58.100 -0.025 0.000 1.324 806 Y CB 0.052 38.485 38.460 -0.045 0.000 1.173 806 Y HN 0.502 nan 8.280 nan 0.000 0.529 807 D N 0.680 121.156 120.400 0.127 0.000 2.329 807 D HA -0.068 4.478 4.640 -0.156 0.000 0.246 807 D C 0.731 177.066 176.300 0.059 0.000 1.111 807 D CA 0.208 54.255 54.000 0.078 0.000 0.941 807 D CB 1.368 42.211 40.800 0.072 0.000 1.169 807 D HN 0.352 nan 8.370 nan 0.000 0.441 808 D N 0.665 121.082 120.400 0.028 0.000 2.221 808 D HA -0.181 4.365 4.640 -0.156 0.000 0.204 808 D C 1.679 177.987 176.300 0.014 0.000 0.982 808 D CA 1.290 55.295 54.000 0.009 0.000 0.857 808 D CB 0.279 41.075 40.800 -0.008 0.000 0.934 808 D HN 0.261 nan 8.370 nan 0.000 0.475 809 K N -0.623 119.789 120.400 0.020 0.000 2.167 809 K HA 0.013 4.239 4.320 -0.156 0.000 0.203 809 K C 1.733 178.347 176.600 0.024 0.000 1.052 809 K CA 0.985 57.279 56.287 0.010 0.000 0.956 809 K CB 0.155 32.656 32.500 0.003 0.000 0.735 809 K HN -0.020 nan 8.250 nan 0.000 0.451 810 S N 0.279 116.016 115.700 0.062 0.000 2.470 810 S HA 0.167 4.543 4.470 -0.156 0.000 0.225 810 S C 0.483 175.161 174.600 0.130 0.000 1.006 810 S CA 0.335 58.594 58.200 0.098 0.000 0.934 810 S CB 0.199 63.502 63.200 0.172 0.000 0.778 810 S HN 0.214 nan 8.310 nan 0.000 0.517 811 I N 1.880 122.509 120.570 0.099 0.000 2.497 811 I HA 0.223 4.299 4.170 -0.156 0.000 0.284 811 I C -0.802 175.336 176.117 0.035 0.000 1.060 811 I CA -0.447 60.907 61.300 0.089 0.000 1.071 811 I CB 2.030 40.051 38.000 0.035 0.000 1.216 811 I HN -0.036 nan 8.210 nan 0.000 0.442 812 E N 5.610 125.838 120.200 0.046 0.000 2.415 812 E HA 0.123 4.379 4.350 -0.156 0.000 0.263 812 E C -0.600 175.983 176.600 -0.027 0.000 0.995 812 E CA 0.279 56.684 56.400 0.008 0.000 0.915 812 E CB 0.494 30.205 29.700 0.018 0.000 0.951 812 E HN 0.696 nan 8.360 nan 0.000 0.449 813 N N -0.862 117.819 118.700 -0.032 0.000 3.020 813 N HA 0.499 5.145 4.740 -0.156 0.000 0.248 813 N C -1.851 173.650 175.510 -0.015 0.000 1.480 813 N CA -0.906 52.123 53.050 -0.035 0.000 0.874 813 N CB 1.355 39.816 38.487 -0.044 0.000 1.433 813 N HN 0.109 nan 8.380 nan 0.000 0.530 814 V N 1.081 121.009 119.914 0.023 0.000 2.488 814 V HA 0.425 4.451 4.120 -0.156 0.000 0.293 814 V C -0.388 175.774 176.094 0.113 0.000 1.027 814 V CA -0.751 61.576 62.300 0.045 0.000 0.862 814 V CB 0.315 32.170 31.823 0.053 0.000 1.008 814 V HN 0.978 nan 8.190 nan 0.000 0.428 815 N N 3.610 122.325 118.700 0.025 0.000 2.693 815 N HA -0.231 4.416 4.740 -0.156 0.000 0.249 815 N C 1.193 176.695 175.510 -0.013 0.000 1.119 815 N CA 1.505 54.563 53.050 0.013 0.000 0.717 815 N CB -0.882 37.674 38.487 0.115 0.000 1.071 815 N HN 1.481 nan 8.380 nan 0.000 0.555 816 G N -2.933 105.825 108.800 -0.071 0.000 2.217 816 G HA2 -0.372 3.494 3.960 -0.156 0.000 0.246 816 G HA3 -0.372 3.494 3.960 -0.156 0.000 0.246 816 G C 0.005 174.752 174.900 -0.255 0.000 0.990 816 G CA 0.253 45.244 45.100 -0.183 0.000 0.627 816 G HN 0.429 nan 8.290 nan 0.000 0.522 817 Y N 0.131 120.418 120.300 -0.021 0.000 2.336 817 Y HA 0.613 5.070 4.550 -0.156 0.000 0.331 817 Y C 0.872 176.729 175.900 -0.071 0.000 1.211 817 Y CA -0.653 57.436 58.100 -0.020 0.000 1.346 817 Y CB 0.714 39.165 38.460 -0.015 0.000 1.271 817 Y HN 0.123 nan 8.280 nan 0.000 0.538 818 L N 1.900 123.162 121.223 0.064 0.000 2.360 818 L HA 0.568 4.814 4.340 -0.156 0.000 0.271 818 L C 0.414 177.179 176.870 -0.176 0.000 1.057 818 L CA -0.440 54.340 54.840 -0.099 0.000 0.803 818 L CB 1.615 43.556 42.059 -0.197 0.000 1.207 818 L HN 0.805 nan 8.230 nan 0.000 0.445 819 T N -1.877 112.471 114.554 -0.342 0.000 2.926 819 T HA 0.669 4.925 4.350 -0.156 0.000 0.289 819 T C 0.875 175.200 174.700 -0.626 0.000 1.054 819 T CA -0.161 61.533 62.100 -0.677 0.000 1.015 819 T CB 1.464 69.651 68.868 -1.134 0.000 1.167 819 T HN 0.554 nan 8.240 nan 0.000 0.526 820 A N 0.203 122.506 122.820 -0.863 0.000 2.070 820 A HA 0.016 4.242 4.320 -0.156 0.000 0.220 820 A C 1.644 178.989 177.584 -0.398 0.000 1.159 820 A CA 1.379 52.926 52.037 -0.816 0.000 0.656 820 A CB -0.822 17.140 19.000 -1.731 0.000 0.800 820 A HN 0.849 nan 8.150 nan 0.000 0.453 821 D N -0.449 119.794 120.400 -0.262 0.000 2.340 821 D HA 0.046 4.592 4.640 -0.156 0.000 0.220 821 D C 0.065 176.418 176.300 0.088 0.000 1.039 821 D CA 0.357 54.366 54.000 0.015 0.000 0.866 821 D CB -0.139 40.715 40.800 0.090 0.000 0.913 821 D HN 0.174 nan 8.370 nan 0.000 0.523 822 T N 1.327 115.861 114.554 -0.034 0.000 2.867 822 T HA -0.008 4.248 4.350 -0.156 0.000 0.297 822 T C -0.125 174.738 174.700 0.271 0.000 0.989 822 T CA 0.147 62.267 62.100 0.034 0.000 1.159 822 T CB 0.475 69.268 68.868 -0.125 0.000 0.928 822 T HN 0.011 nan 8.240 nan 0.000 0.538 823 W N 3.656 124.929 121.300 -0.044 0.000 2.578 823 W HA 0.623 5.189 4.660 -0.156 0.000 0.353 823 W C -0.322 176.250 176.519 0.088 0.000 1.088 823 W CA -1.240 56.114 57.345 0.014 0.000 1.235 823 W CB 0.732 30.161 29.460 -0.052 0.000 1.362 823 W HN 0.694 nan 8.180 nan 0.000 0.592 824 Y N -0.974 119.369 120.300 0.072 0.000 2.609 824 Y HA 0.599 5.055 4.550 -0.157 0.000 0.336 824 Y C -0.758 175.149 175.900 0.011 0.000 1.129 824 Y CA -1.941 56.166 58.100 0.012 0.000 1.040 824 Y CB 1.173 39.601 38.460 -0.054 0.000 1.310 824 Y HN 0.430 nan 8.280 nan 0.000 0.460 825 R N 4.032 124.465 120.500 -0.113 0.000 2.202 825 R HA 0.462 4.708 4.340 -0.156 0.000 0.334 825 R C -2.829 173.380 176.300 -0.152 0.000 1.036 825 R CA -1.798 54.186 56.100 -0.192 0.000 0.878 825 R CB 0.854 31.102 30.300 -0.087 0.000 1.067 825 R HN 0.536 nan 8.270 nan 0.000 0.457 826 P HA 0.169 nan 4.420 nan 0.000 0.278 826 P C -0.378 176.980 177.300 0.095 0.000 1.258 826 P CA -0.466 62.604 63.100 -0.051 0.000 0.811 826 P CB 1.082 32.704 31.700 -0.130 0.000 1.063 827 K N -0.244 120.232 120.400 0.128 0.000 2.032 827 K HA -0.120 4.106 4.320 -0.156 0.000 0.209 827 K C 0.863 177.536 176.600 0.122 0.000 1.048 827 K CA 1.567 57.934 56.287 0.133 0.000 0.927 827 K CB 0.010 32.510 32.500 0.001 0.000 0.712 827 K HN 0.554 nan 8.250 nan 0.000 0.441 828 Q N -0.181 119.681 119.800 0.102 0.000 2.451 828 Q HA 0.395 4.641 4.340 -0.156 0.000 0.281 828 Q C -1.352 174.827 176.000 0.297 0.000 1.099 828 Q CA -0.880 55.041 55.803 0.195 0.000 0.806 828 Q CB 2.312 31.183 28.738 0.221 0.000 1.419 828 Q HN -0.050 nan 8.270 nan 0.000 0.427 829 I N 1.568 122.271 120.570 0.222 0.000 2.377 829 I HA 0.134 4.210 4.170 -0.156 0.000 0.293 829 I C -0.588 175.442 176.117 -0.145 0.000 0.987 829 I CA -0.521 60.812 61.300 0.055 0.000 1.185 829 I CB 1.508 39.496 38.000 -0.020 0.000 1.341 829 I HN 0.437 nan 8.210 nan 0.000 0.455 830 L N 7.524 128.395 121.223 -0.586 0.000 2.391 830 L HA 0.234 4.480 4.340 -0.156 0.000 0.249 830 L C 0.556 177.157 176.870 -0.449 0.000 1.308 830 L CA 0.066 54.310 54.840 -0.992 0.000 1.209 830 L CB -0.930 40.260 42.059 -1.449 0.000 1.401 830 L HN 0.453 nan 8.230 nan 0.000 0.416 831 K N 2.114 122.352 120.400 -0.270 0.000 2.484 831 K HA -0.107 4.119 4.320 -0.156 0.000 0.280 831 K C 0.719 177.243 176.600 -0.126 0.000 1.013 831 K CA 0.705 56.910 56.287 -0.137 0.000 1.029 831 K CB 0.167 32.623 32.500 -0.073 0.000 0.902 831 K HN 0.640 nan 8.250 nan 0.000 0.481 832 D N 2.667 123.019 120.400 -0.079 0.000 3.039 832 D HA -0.218 4.328 4.640 -0.156 0.000 0.222 832 D C 0.580 176.835 176.300 -0.074 0.000 1.179 832 D CA 2.020 55.987 54.000 -0.055 0.000 0.880 832 D CB -1.075 39.702 40.800 -0.038 0.000 1.115 832 D HN 0.997 nan 8.370 nan 0.000 0.416 833 G N -2.370 106.355 108.800 -0.126 0.000 2.179 833 G HA2 -0.351 3.515 3.960 -0.156 0.000 0.260 833 G HA3 -0.351 3.515 3.960 -0.156 0.000 0.260 833 G C 0.992 175.798 174.900 -0.157 0.000 0.977 833 G CA 1.399 46.421 45.100 -0.131 0.000 0.641 833 G HN 1.174 nan 8.290 nan 0.000 0.533 834 T N -4.373 110.079 114.554 -0.171 0.000 3.057 834 T HA 0.399 4.655 4.350 -0.156 0.000 0.254 834 T C 0.700 175.303 174.700 -0.162 0.000 0.965 834 T CA 1.332 63.356 62.100 -0.126 0.000 0.978 834 T CB 0.823 69.659 68.868 -0.053 0.000 1.169 834 T HN 0.572 nan 8.240 nan 0.000 0.489 835 T N 2.253 116.694 114.554 -0.189 0.000 2.864 835 T HA 0.430 4.687 4.350 -0.156 0.000 0.310 835 T C -1.209 173.419 174.700 -0.119 0.000 1.040 835 T CA -0.603 61.437 62.100 -0.100 0.000 0.977 835 T CB 0.402 69.251 68.868 -0.032 0.000 0.976 835 T HN 0.345 nan 8.240 nan 0.000 0.459 836 W N 2.891 124.175 121.300 -0.027 0.000 2.308 836 W HA 0.350 4.916 4.660 -0.157 0.000 0.324 836 W C 0.526 177.028 176.519 -0.029 0.000 1.387 836 W CA 0.045 57.361 57.345 -0.048 0.000 1.250 836 W CB 0.470 29.896 29.460 -0.056 0.000 1.257 836 W HN 0.429 nan 8.180 nan 0.000 0.554 837 T N 3.516 118.203 114.554 0.223 0.000 2.952 837 T HA 0.090 4.347 4.350 -0.156 0.000 0.305 837 T C -0.840 173.930 174.700 0.117 0.000 1.064 837 T CA -1.070 61.103 62.100 0.121 0.000 1.008 837 T CB 1.359 70.259 68.868 0.054 0.000 1.078 837 T HN 0.085 nan 8.240 nan 0.000 0.459 838 D N 2.704 123.156 120.400 0.087 0.000 2.488 838 D HA 0.161 4.707 4.640 -0.156 0.000 0.238 838 D C 0.703 177.033 176.300 0.051 0.000 1.138 838 D CA 0.325 54.373 54.000 0.080 0.000 0.873 838 D CB 0.572 41.414 40.800 0.070 0.000 1.183 838 D HN 0.582 nan 8.370 nan 0.000 0.458 839 S N 1.827 117.556 115.700 0.048 0.000 2.565 839 S HA 0.243 4.620 4.470 -0.156 0.000 0.276 839 S C 0.226 174.771 174.600 -0.091 0.000 1.326 839 S CA -0.680 57.507 58.200 -0.021 0.000 1.045 839 S CB 1.392 64.571 63.200 -0.034 0.000 0.918 839 S HN 0.213 nan 8.310 nan 0.000 0.505 840 K N 1.338 121.681 120.400 -0.095 0.000 2.090 840 K HA 0.154 4.381 4.320 -0.156 0.000 0.250 840 K C 1.527 178.020 176.600 -0.177 0.000 1.004 840 K CA -0.304 55.909 56.287 -0.124 0.000 0.919 840 K CB 0.599 33.054 32.500 -0.075 0.000 1.045 840 K HN 0.900 nan 8.250 nan 0.000 0.471 841 E N 0.041 120.126 120.200 -0.193 0.000 2.265 841 E HA -0.189 4.068 4.350 -0.156 0.000 0.196 841 E C 0.987 177.513 176.600 -0.123 0.000 0.996 841 E CA 1.730 58.011 56.400 -0.199 0.000 0.832 841 E CB -0.213 29.384 29.700 -0.171 0.000 0.756 841 E HN 0.681 nan 8.360 nan 0.000 0.491 842 T N -1.800 112.700 114.554 -0.090 0.000 3.088 842 T HA 0.000 4.256 4.350 -0.156 0.000 0.259 842 T C 0.516 175.193 174.700 -0.040 0.000 1.122 842 T CA 0.063 62.129 62.100 -0.056 0.000 1.095 842 T CB -0.073 68.769 68.868 -0.043 0.000 0.930 842 T HN -0.002 nan 8.240 nan 0.000 0.508 846 P HA 0.150 nan 4.420 nan 0.000 0.268 846 P C 0.888 177.933 177.300 -0.426 0.000 1.204 846 P CA -0.141 62.157 63.100 -1.336 0.000 0.768 846 P CB 0.732 31.842 31.700 -0.983 0.000 0.842 847 I N 2.857 123.307 120.570 -0.199 0.000 2.454 847 I HA -0.171 3.905 4.170 -0.156 0.000 0.254 847 I C 1.135 177.102 176.117 -0.250 0.000 1.156 847 I CA 0.845 62.042 61.300 -0.172 0.000 1.433 847 I CB 0.039 37.844 38.000 -0.326 0.000 1.082 847 I HN 0.266 nan 8.210 nan 0.000 0.432 851 W N 0.688 121.066 121.300 -1.537 0.000 3.127 851 W HA 0.718 5.284 4.660 -0.157 0.000 0.330 851 W C -2.277 173.422 176.519 -1.366 0.000 1.187 851 W CA -0.566 56.114 57.345 -1.108 0.000 1.198 851 W CB 1.600 30.695 29.460 -0.608 0.000 1.408 851 W HN 0.135 nan 8.180 nan 0.000 0.529 852 W N 5.557 126.141 121.300 -1.195 0.000 3.127 852 W HA 0.188 4.754 4.660 -0.157 0.000 0.330 852 W C -1.767 173.827 176.519 -1.542 0.000 1.187 852 W CA -1.528 55.144 57.345 -1.122 0.000 1.198 852 W CB 1.461 30.638 29.460 -0.472 0.000 1.408 852 W HN 0.195 nan 8.180 nan 0.000 0.529 853 P HA -0.136 nan 4.420 nan 0.000 0.221 853 P C -0.115 177.105 177.300 -0.132 0.000 1.150 853 P CA 1.470 64.355 63.100 -0.360 0.000 0.800 853 P CB 0.615 32.321 31.700 0.009 0.000 0.787 854 N N -3.118 115.525 118.700 -0.094 0.000 3.116 854 N HA 0.072 4.718 4.740 -0.156 0.000 0.244 854 N C 0.577 176.073 175.510 -0.023 0.000 1.485 854 N CA -0.348 52.683 53.050 -0.033 0.000 0.884 854 N CB -0.476 38.003 38.487 -0.013 0.000 1.415 854 N HN -0.275 nan 8.380 nan 0.000 0.524 855 T N -2.872 111.668 114.554 -0.024 0.000 2.821 855 T HA -0.093 4.163 4.350 -0.156 0.000 0.267 855 T C 1.628 176.307 174.700 -0.035 0.000 1.046 855 T CA 1.462 63.532 62.100 -0.050 0.000 1.139 855 T CB -0.620 68.229 68.868 -0.031 0.000 0.871 855 T HN 0.253 nan 8.240 nan 0.000 0.454 856 V N 2.284 122.199 119.914 0.002 0.000 2.252 856 V HA -0.233 3.793 4.120 -0.156 0.000 0.249 856 V C 3.068 179.221 176.094 0.097 0.000 1.056 856 V CA 2.537 64.858 62.300 0.034 0.000 1.022 856 V CB -1.447 30.386 31.823 0.016 0.000 0.641 856 V HN 0.591 nan 8.190 nan 0.000 0.445 857 T N -0.894 113.720 114.554 0.101 0.000 2.821 857 T HA -0.266 3.990 4.350 -0.156 0.000 0.267 857 T C 1.885 176.727 174.700 0.237 0.000 1.046 857 T CA 1.747 63.989 62.100 0.238 0.000 1.139 857 T CB -0.244 68.730 68.868 0.176 0.000 0.871 857 T HN 0.572 nan 8.240 nan 0.000 0.454 858 Q N 0.752 120.524 119.800 -0.046 0.000 2.050 858 Q HA -0.133 4.113 4.340 -0.156 0.000 0.202 858 Q C 2.537 178.368 176.000 -0.282 0.000 0.980 858 Q CA 1.573 57.056 55.803 -0.532 0.000 0.840 858 Q CB -0.325 27.955 28.738 -0.764 0.000 0.898 858 Q HN 0.543 nan 8.270 nan 0.000 0.424 859 A N 0.178 122.929 122.820 -0.116 0.000 1.883 859 A HA -0.234 3.992 4.320 -0.156 0.000 0.217 859 A C 1.946 179.640 177.584 0.183 0.000 1.186 859 A CA 1.578 53.605 52.037 -0.016 0.000 0.624 859 A CB -1.153 17.895 19.000 0.080 0.000 0.822 859 A HN 0.691 nan 8.150 nan 0.000 0.444 860 Y N -0.936 119.448 120.300 0.141 0.000 2.224 860 Y HA -0.228 4.228 4.550 -0.157 0.000 0.289 860 Y C 2.138 178.229 175.900 0.318 0.000 1.146 860 Y CA 1.225 59.493 58.100 0.280 0.000 1.182 860 Y CB -1.023 37.640 38.460 0.338 0.000 0.983 860 Y HN 0.493 nan 8.280 nan 0.000 0.524 861 Y N 0.108 120.401 120.300 -0.012 0.000 2.128 861 Y HA -0.263 4.193 4.550 -0.157 0.000 0.284 861 Y C 2.167 177.896 175.900 -0.286 0.000 1.154 861 Y CA 2.139 59.906 58.100 -0.555 0.000 1.149 861 Y CB -0.716 37.533 38.460 -0.351 0.000 0.976 861 Y HN 0.116 nan 8.280 nan 0.000 0.505 862 L N 0.302 121.385 121.223 -0.234 0.000 2.012 862 L HA -0.291 3.955 4.340 -0.156 0.000 0.210 862 L C 2.214 179.061 176.870 -0.039 0.000 1.073 862 L CA 1.591 56.271 54.840 -0.267 0.000 0.748 862 L CB -0.758 41.017 42.059 -0.474 0.000 0.891 862 L HN 0.297 nan 8.230 nan 0.000 0.431 863 N N -0.884 117.904 118.700 0.147 0.000 2.120 863 N HA -0.178 4.468 4.740 -0.156 0.000 0.188 863 N C 0.830 176.436 175.510 0.160 0.000 1.024 863 N CA 0.843 54.022 53.050 0.216 0.000 0.852 863 N CB -0.424 38.264 38.487 0.335 0.000 1.003 863 N HN 0.229 nan 8.380 nan 0.000 0.424 867 Q N -0.244 119.452 119.800 -0.173 0.000 2.046 867 Q HA -0.086 4.160 4.340 -0.156 0.000 0.200 867 Q C 1.093 176.754 176.000 -0.565 0.000 0.975 867 Q CA 2.147 57.710 55.803 -0.400 0.000 0.836 867 Q CB 0.033 28.458 28.738 -0.521 0.000 0.896 867 Q HN 0.472 nan 8.270 nan 0.000 0.428 868 Y N -2.127 117.991 120.300 -0.304 0.000 2.498 868 Y HA 0.326 4.782 4.550 -0.156 0.000 0.259 868 Y C 2.031 177.877 175.900 -0.091 0.000 1.086 868 Y CA 0.383 58.316 58.100 -0.279 0.000 1.287 868 Y CB 0.423 38.508 38.460 -0.625 0.000 1.146 868 Y HN 0.217 nan 8.280 nan 0.000 0.523 869 G N -0.588 108.259 108.800 0.078 0.000 2.662 869 G HA2 -0.067 3.799 3.960 -0.156 0.000 0.212 869 G HA3 -0.067 3.799 3.960 -0.156 0.000 0.212 869 G C 0.158 175.086 174.900 0.046 0.000 1.141 869 G CA 0.198 45.377 45.100 0.130 0.000 0.797 869 G HN 0.403 nan 8.290 nan 0.000 0.531 870 N N -1.155 117.537 118.700 -0.012 0.000 2.740 870 N HA -0.132 4.514 4.740 -0.156 0.000 0.248 870 N C 0.644 176.146 175.510 -0.014 0.000 1.062 870 N CA 0.315 53.346 53.050 -0.032 0.000 0.704 870 N CB -1.124 37.336 38.487 -0.046 0.000 0.968 870 N HN 0.339 nan 8.380 nan 0.000 0.547 871 L N -1.014 120.212 121.223 0.006 0.000 2.693 871 L HA 0.372 4.618 4.340 -0.156 0.000 0.235 871 L C 0.235 177.131 176.870 0.043 0.000 1.127 871 L CA 0.293 55.151 54.840 0.030 0.000 0.914 871 L CB 0.278 42.372 42.059 0.057 0.000 1.193 871 L HN 0.193 nan 8.230 nan 0.000 0.502 872 L N -1.208 120.035 121.223 0.034 0.000 2.359 872 L HA 0.522 4.768 4.340 -0.156 0.000 0.256 872 L C -2.430 174.460 176.870 0.033 0.000 1.026 872 L CA -1.966 52.915 54.840 0.069 0.000 0.828 872 L CB 2.002 44.118 42.059 0.095 0.000 1.406 872 L HN -0.270 nan 8.230 nan 0.000 0.413 873 P HA 0.065 nan 4.420 nan 0.000 0.268 873 P C 0.068 177.356 177.300 -0.020 0.000 1.204 873 P CA -0.039 63.070 63.100 0.015 0.000 0.768 873 P CB 0.957 32.678 31.700 0.035 0.000 0.842 874 A N 3.023 125.823 122.820 -0.034 0.000 2.076 874 A HA -0.180 4.046 4.320 -0.156 0.000 0.220 874 A C 2.132 179.678 177.584 -0.063 0.000 1.160 874 A CA 2.044 54.047 52.037 -0.057 0.000 0.653 874 A CB -1.293 17.672 19.000 -0.059 0.000 0.801 874 A HN 0.598 nan 8.150 nan 0.000 0.455 875 S N -0.828 114.841 115.700 -0.051 0.000 2.406 875 S HA 0.043 4.419 4.470 -0.156 0.000 0.228 875 S C 0.777 175.325 174.600 -0.086 0.000 1.020 875 S CA 0.353 58.519 58.200 -0.057 0.000 0.965 875 S CB -0.743 62.435 63.200 -0.037 0.000 0.798 875 S HN 0.436 nan 8.310 nan 0.000 0.488 876 L N 4.361 125.523 121.223 -0.102 0.000 2.525 876 L HA 0.268 4.514 4.340 -0.156 0.000 0.278 876 L C -2.182 174.534 176.870 -0.256 0.000 1.218 876 L CA -1.320 53.410 54.840 -0.183 0.000 0.878 876 L CB -0.120 41.811 42.059 -0.213 0.000 1.127 876 L HN 0.139 nan 8.230 nan 0.000 0.492 877 P HA 0.067 nan 4.420 nan 0.000 0.271 877 P C -0.519 176.504 177.300 -0.462 0.000 1.216 877 P CA -0.317 62.598 63.100 -0.308 0.000 0.771 877 P CB 0.667 32.205 31.700 -0.270 0.000 0.864 878 S N 2.155 117.689 115.700 -0.275 0.000 2.643 878 S HA -0.053 4.323 4.470 -0.156 0.000 0.310 878 S C 0.173 174.600 174.600 -0.289 0.000 1.253 878 S CA 0.342 58.427 58.200 -0.192 0.000 1.047 878 S CB -0.649 62.523 63.200 -0.048 0.000 0.767 878 S HN 0.231 nan 8.310 nan 0.000 0.498 879 F N 2.168 122.097 119.950 -0.036 0.000 2.396 879 F HA 0.370 4.803 4.527 -0.157 0.000 0.343 879 F C 1.183 176.985 175.800 0.003 0.000 1.104 879 F CA -0.479 57.504 58.000 -0.029 0.000 1.161 879 F CB 0.940 39.920 39.000 -0.034 0.000 1.146 879 F HN 0.577 nan 8.300 nan 0.000 0.522 880 S N 0.477 116.269 115.700 0.153 0.000 2.767 880 S HA 0.258 4.634 4.470 -0.156 0.000 0.300 880 S C 0.877 175.529 174.600 0.086 0.000 1.123 880 S CA -0.441 57.812 58.200 0.089 0.000 0.992 880 S CB 1.334 64.558 63.200 0.040 0.000 1.138 880 S HN 0.604 nan 8.310 nan 0.000 0.550 881 T N 0.170 114.754 114.554 0.051 0.000 2.929 881 T HA -0.028 4.228 4.350 -0.156 0.000 0.271 881 T C 0.306 175.027 174.700 0.036 0.000 1.085 881 T CA 1.485 63.608 62.100 0.037 0.000 1.125 881 T CB -0.844 68.034 68.868 0.017 0.000 0.874 881 T HN 0.584 nan 8.240 nan 0.000 0.494 882 D N 0.892 121.316 120.400 0.039 0.000 2.340 882 D HA 0.319 4.865 4.640 -0.156 0.000 0.217 882 D C 0.542 176.873 176.300 0.052 0.000 1.081 882 D CA -0.037 53.985 54.000 0.037 0.000 0.842 882 D CB 0.006 40.822 40.800 0.027 0.000 0.934 882 D HN 0.402 nan 8.370 nan 0.000 0.511 883 A N 1.141 124.007 122.820 0.076 0.000 2.511 883 A HA 0.108 4.334 4.320 -0.156 0.000 0.242 883 A C 0.258 177.893 177.584 0.085 0.000 1.069 883 A CA -0.127 51.979 52.037 0.114 0.000 0.763 883 A CB 0.142 19.260 19.000 0.197 0.000 1.001 883 A HN 0.042 nan 8.150 nan 0.000 0.498 884 D N 1.593 122.050 120.400 0.096 0.000 2.345 884 D HA 0.233 4.779 4.640 -0.156 0.000 0.247 884 D C 1.483 177.818 176.300 0.058 0.000 1.108 884 D CA 0.602 54.644 54.000 0.071 0.000 0.894 884 D CB 1.063 41.908 40.800 0.074 0.000 1.203 884 D HN 0.462 nan 8.370 nan 0.000 0.430 885 S N 3.131 118.853 115.700 0.037 0.000 2.382 885 S HA -0.199 4.177 4.470 -0.156 0.000 0.228 885 S C 2.058 176.676 174.600 0.030 0.000 1.027 885 S CA 1.052 59.263 58.200 0.019 0.000 0.991 885 S CB -0.659 62.554 63.200 0.023 0.000 0.823 885 S HN 0.567 nan 8.310 nan 0.000 0.469 886 A N 1.709 124.557 122.820 0.047 0.000 1.908 886 A HA -0.129 4.098 4.320 -0.156 0.000 0.218 886 A C 2.199 179.829 177.584 0.077 0.000 1.181 886 A CA 1.826 53.896 52.037 0.054 0.000 0.627 886 A CB -1.057 17.972 19.000 0.048 0.000 0.818 886 A HN 0.789 nan 8.150 nan 0.000 0.445 887 E N -0.135 120.130 120.200 0.108 0.000 2.077 887 E HA -0.146 4.110 4.350 -0.156 0.000 0.193 887 E C 1.895 178.633 176.600 0.230 0.000 0.989 887 E CA 1.077 57.606 56.400 0.214 0.000 0.800 887 E CB -0.252 29.613 29.700 0.275 0.000 0.746 887 E HN 0.617 nan 8.360 nan 0.000 0.452 888 L N 0.779 122.033 121.223 0.052 0.000 2.046 888 L HA -0.185 4.061 4.340 -0.156 0.000 0.208 888 L C 2.215 179.009 176.870 -0.127 0.000 1.077 888 L CA 1.055 55.806 54.840 -0.148 0.000 0.747 888 L CB -0.485 41.450 42.059 -0.207 0.000 0.896 888 L HN 0.202 nan 8.230 nan 0.000 0.432 889 N N -1.209 117.466 118.700 -0.042 0.000 2.188 889 N HA -0.201 4.445 4.740 -0.156 0.000 0.184 889 N C 1.802 177.311 175.510 -0.002 0.000 1.018 889 N CA 0.952 53.992 53.050 -0.016 0.000 0.858 889 N CB -0.490 38.009 38.487 0.021 0.000 0.989 889 N HN 0.394 nan 8.380 nan 0.000 0.426 890 H N -0.370 118.650 119.070 -0.084 0.000 2.353 890 H HA -0.117 4.345 4.556 -0.156 0.000 0.300 890 H C 1.175 176.374 175.328 -0.215 0.000 1.090 890 H CA 1.508 57.449 56.048 -0.178 0.000 1.327 890 H CB -0.020 29.589 29.762 -0.255 0.000 1.383 890 H HN 0.243 nan 8.280 nan 0.000 0.508 891 Y N 0.581 120.894 120.300 0.021 0.000 2.337 891 Y HA -0.057 4.399 4.550 -0.156 0.000 0.293 891 Y C 3.109 178.965 175.900 -0.074 0.000 1.123 891 Y CA 0.914 58.995 58.100 -0.033 0.000 1.201 891 Y CB -0.076 38.396 38.460 0.020 0.000 1.011 891 Y HN 0.149 nan 8.280 nan 0.000 0.545 892 S N 0.085 115.804 115.700 0.032 0.000 2.359 892 S HA -0.222 4.154 4.470 -0.156 0.000 0.224 892 S C 1.844 176.564 174.600 0.201 0.000 1.035 892 S CA 1.673 59.947 58.200 0.122 0.000 1.018 892 S CB -0.285 62.918 63.200 0.005 0.000 0.876 892 S HN 0.535 nan 8.310 nan 0.000 0.448 893 E N 0.483 120.736 120.200 0.088 0.000 2.110 893 E HA -0.141 4.115 4.350 -0.156 0.000 0.193 893 E C 2.064 178.700 176.600 0.061 0.000 0.988 893 E CA 0.821 57.275 56.400 0.090 0.000 0.804 893 E CB -0.239 29.368 29.700 -0.156 0.000 0.745 893 E HN 0.243 nan 8.360 nan 0.000 0.458 894 L N 0.766 121.953 121.223 -0.059 0.000 2.083 894 L HA -0.142 4.105 4.340 -0.156 0.000 0.209 894 L C 2.199 179.116 176.870 0.078 0.000 1.083 894 L CA 1.271 56.093 54.840 -0.030 0.000 0.752 894 L CB -0.276 41.738 42.059 -0.075 0.000 0.899 894 L HN -0.065 nan 8.230 nan 0.000 0.433 895 V N -0.398 119.593 119.914 0.128 0.000 2.343 895 V HA -0.354 3.672 4.120 -0.156 0.000 0.247 895 V C 2.562 178.759 176.094 0.172 0.000 1.051 895 V CA 2.041 64.430 62.300 0.148 0.000 1.036 895 V CB -0.695 31.224 31.823 0.160 0.000 0.654 895 V HN 0.650 nan 8.190 nan 0.000 0.451 896 Q N -0.312 119.610 119.800 0.203 0.000 2.061 896 Q HA -0.313 3.933 4.340 -0.156 0.000 0.204 896 Q C 2.337 178.390 176.000 0.089 0.000 0.984 896 Q CA 2.274 58.178 55.803 0.168 0.000 0.846 896 Q CB -0.147 28.722 28.738 0.218 0.000 0.902 896 Q HN 0.692 nan 8.270 nan 0.000 0.421 897 Q N 0.005 119.851 119.800 0.077 0.000 2.077 897 Q HA -0.184 4.062 4.340 -0.156 0.000 0.206 897 Q C 1.922 177.938 176.000 0.028 0.000 0.989 897 Q CA 1.800 57.614 55.803 0.018 0.000 0.853 897 Q CB -0.036 28.715 28.738 0.022 0.000 0.907 897 Q HN 0.437 nan 8.270 nan 0.000 0.418 898 N N 0.111 118.846 118.700 0.058 0.000 2.188 898 N HA -0.097 4.550 4.740 -0.156 0.000 0.184 898 N C 1.683 177.254 175.510 0.101 0.000 1.018 898 N CA 0.975 54.061 53.050 0.060 0.000 0.858 898 N CB -0.102 38.422 38.487 0.061 0.000 0.989 898 N HN 0.263 nan 8.380 nan 0.000 0.426 899 I N 1.452 122.122 120.570 0.166 0.000 2.142 899 I HA -0.207 3.869 4.170 -0.156 0.000 0.240 899 I C 2.104 178.371 176.117 0.251 0.000 1.078 899 I CA 1.038 62.521 61.300 0.306 0.000 1.343 899 I CB -0.128 38.022 38.000 0.250 0.000 1.046 899 I HN 0.030 nan 8.210 nan 0.000 0.405 900 E N 1.167 121.434 120.200 0.112 0.000 2.085 900 E HA -0.248 4.008 4.350 -0.156 0.000 0.194 900 E C 2.115 178.745 176.600 0.051 0.000 0.994 900 E CA 1.319 57.749 56.400 0.050 0.000 0.801 900 E CB -0.286 29.380 29.700 -0.056 0.000 0.743 900 E HN 0.503 nan 8.360 nan 0.000 0.453 901 K N 0.338 120.757 120.400 0.032 0.000 2.063 901 K HA -0.150 4.076 4.320 -0.156 0.000 0.208 901 K C 2.338 178.945 176.600 0.011 0.000 1.048 901 K CA 1.196 57.489 56.287 0.010 0.000 0.928 901 K CB -0.156 32.341 32.500 -0.006 0.000 0.713 901 K HN -0.027 nan 8.250 nan 0.000 0.442 902 R N 1.167 121.678 120.500 0.018 0.000 2.090 902 R HA -0.044 4.202 4.340 -0.156 0.000 0.228 902 R C 2.192 178.536 176.300 0.073 0.000 1.110 902 R CA 0.912 56.955 56.100 -0.095 0.000 0.973 902 R CB -0.120 29.923 30.300 -0.429 0.000 0.869 902 R HN 0.118 nan 8.270 nan 0.000 0.440 903 I N 0.305 121.060 120.570 0.309 0.000 2.179 903 I HA -0.274 3.802 4.170 -0.156 0.000 0.242 903 I C 2.223 178.439 176.117 0.164 0.000 1.088 903 I CA 1.304 62.810 61.300 0.343 0.000 1.357 903 I CB -0.258 37.907 38.000 0.274 0.000 1.051 903 I HN 0.151 nan 8.210 nan 0.000 0.409 904 S N 0.424 116.178 115.700 0.091 0.000 2.370 904 S HA -0.242 4.134 4.470 -0.156 0.000 0.226 904 S C 1.910 176.530 174.600 0.033 0.000 1.033 904 S CA 1.917 60.145 58.200 0.045 0.000 1.011 904 S CB -0.395 62.814 63.200 0.017 0.000 0.852 904 S HN 0.631 nan 8.310 nan 0.000 0.457 905 E N 0.984 121.194 120.200 0.016 0.000 2.158 905 E HA -0.118 4.138 4.350 -0.156 0.000 0.191 905 E C 1.816 178.417 176.600 0.002 0.000 0.982 905 E CA 1.571 57.968 56.400 -0.006 0.000 0.823 905 E CB -0.515 29.162 29.700 -0.038 0.000 0.766 905 E HN 0.638 nan 8.360 nan 0.000 0.468 906 T N -3.262 111.307 114.554 0.023 0.000 3.054 906 T HA 0.270 4.526 4.350 -0.156 0.000 0.259 906 T C 1.697 176.455 174.700 0.097 0.000 1.092 906 T CA 0.574 62.704 62.100 0.050 0.000 1.121 906 T CB 0.114 69.024 68.868 0.069 0.000 0.912 906 T HN 0.408 nan 8.240 nan 0.000 0.489 907 G N 0.665 109.530 108.800 0.107 0.000 2.166 907 G HA2 -0.244 3.622 3.960 -0.156 0.000 0.260 907 G HA3 -0.244 3.622 3.960 -0.156 0.000 0.260 907 G C 0.139 175.116 174.900 0.128 0.000 0.986 907 G CA 0.539 45.698 45.100 0.098 0.000 0.683 907 G HN 1.009 nan 8.290 nan 0.000 0.527 908 S N -1.619 114.210 115.700 0.214 0.000 2.599 908 S HA 0.743 5.119 4.470 -0.156 0.000 0.287 908 S C 0.994 175.745 174.600 0.251 0.000 1.105 908 S CA 0.789 59.116 58.200 0.212 0.000 0.899 908 S CB 1.675 65.014 63.200 0.231 0.000 1.100 908 S HN 1.012 nan 8.310 nan 0.000 0.482 909 T N -0.325 114.263 114.554 0.056 0.000 3.085 909 T HA 0.258 4.514 4.350 -0.156 0.000 0.264 909 T C 0.477 175.005 174.700 -0.286 0.000 1.019 909 T CA -0.127 61.877 62.100 -0.161 0.000 0.910 909 T CB -0.114 68.806 68.868 0.087 0.000 1.059 909 T HN 0.434 nan 8.240 nan 0.000 0.542 910 D N 2.197 122.531 120.400 -0.109 0.000 2.106 910 D HA -0.137 4.409 4.640 -0.156 0.000 0.191 910 D C 2.010 178.280 176.300 -0.050 0.000 0.997 910 D CA 1.781 55.739 54.000 -0.070 0.000 0.834 910 D CB -0.408 40.415 40.800 0.039 0.000 0.956 910 D HN 0.691 nan 8.370 nan 0.000 0.448 911 W N 1.123 122.476 121.300 0.088 0.000 2.321 911 W HA -0.195 4.372 4.660 -0.156 0.000 0.306 911 W C 1.729 178.350 176.519 0.170 0.000 1.217 911 W CA 0.303 57.715 57.345 0.113 0.000 1.257 911 W CB -1.340 28.179 29.460 0.098 0.000 1.145 911 W HN 0.029 nan 8.180 nan 0.000 0.509 912 L N 2.044 122.702 121.223 -0.940 0.000 2.156 912 L HA -0.016 4.230 4.340 -0.156 0.000 0.208 912 L C 2.867 179.761 176.870 0.040 0.000 1.095 912 L CA 1.526 55.937 54.840 -0.714 0.000 0.770 912 L CB -0.699 40.683 42.059 -1.129 0.000 0.914 912 L HN -0.240 nan 8.230 nan 0.000 0.439 913 R N -0.722 119.772 120.500 -0.010 0.000 2.083 913 R HA -0.109 4.138 4.340 -0.156 0.000 0.237 913 R C 2.047 178.403 176.300 0.093 0.000 1.137 913 R CA 1.929 58.002 56.100 -0.045 0.000 0.951 913 R CB -1.328 28.770 30.300 -0.337 0.000 0.851 913 R HN 0.415 nan 8.270 nan 0.000 0.434 914 T N 2.093 116.709 114.554 0.102 0.000 2.701 914 T HA -0.084 4.172 4.350 -0.156 0.000 0.263 914 T C 1.240 176.087 174.700 0.246 0.000 1.040 914 T CA 0.357 62.560 62.100 0.172 0.000 1.147 914 T CB -0.379 68.589 68.868 0.167 0.000 0.865 914 T HN 0.047 nan 8.240 nan 0.000 0.426 918 E N 0.141 120.372 120.200 0.052 0.000 2.077 918 E HA -0.118 4.138 4.350 -0.156 0.000 0.193 918 E C 1.459 177.949 176.600 -0.184 0.000 0.989 918 E CA 1.555 57.939 56.400 -0.027 0.000 0.800 918 E CB -0.072 29.719 29.700 0.152 0.000 0.746 918 E HN 0.358 nan 8.360 nan 0.000 0.452 919 F N 1.105 120.820 119.950 -0.392 0.000 2.102 919 F HA -0.203 4.230 4.527 -0.156 0.000 0.298 919 F C 2.062 177.712 175.800 -0.250 0.000 1.105 919 F CA 0.985 58.536 58.000 -0.748 0.000 1.239 919 F CB -0.518 38.156 39.000 -0.543 0.000 0.991 919 F HN -0.208 nan 8.300 nan 0.000 0.474 920 V N 0.788 120.580 119.914 -0.205 0.000 2.282 920 V HA -0.389 3.637 4.120 -0.156 0.000 0.249 920 V C 2.581 178.657 176.094 -0.029 0.000 1.057 920 V CA 2.713 64.986 62.300 -0.046 0.000 1.032 920 V CB -1.541 30.302 31.823 0.033 0.000 0.645 920 V HN 0.656 nan 8.190 nan 0.000 0.447 921 T N -2.675 111.761 114.554 -0.197 0.000 3.098 921 T HA -0.089 4.167 4.350 -0.156 0.000 0.266 921 T C 1.382 176.021 174.700 -0.102 0.000 1.145 921 T CA 0.602 62.614 62.100 -0.147 0.000 1.092 921 T CB -0.216 68.499 68.868 -0.254 0.000 0.908 921 T HN 0.300 nan 8.240 nan 0.000 0.526 922 K N 1.609 121.908 120.400 -0.169 0.000 2.404 922 K HA 0.246 4.472 4.320 -0.156 0.000 0.194 922 K C 0.045 176.648 176.600 0.005 0.000 1.023 922 K CA -0.066 56.183 56.287 -0.063 0.000 1.094 922 K CB 0.071 32.557 32.500 -0.023 0.000 0.841 922 K HN 0.512 nan 8.250 nan 0.000 0.523 923 N N 1.249 119.903 118.700 -0.077 0.000 2.424 923 N HA 0.139 4.785 4.740 -0.156 0.000 0.271 923 N C -0.295 175.138 175.510 -0.128 0.000 0.985 923 N CA -0.086 52.886 53.050 -0.131 0.000 0.921 923 N CB 1.490 39.752 38.487 -0.375 0.000 1.149 923 N HN -0.123 nan 8.380 nan 0.000 0.492 927 N N -0.624 118.153 118.700 0.127 0.000 3.204 927 N HA 0.260 4.906 4.740 -0.156 0.000 0.285 927 N C 0.887 176.390 175.510 -0.011 0.000 1.536 927 N CA -0.354 52.718 53.050 0.037 0.000 0.832 927 N CB 0.237 38.721 38.487 -0.006 0.000 1.645 927 N HN -0.126 nan 8.380 nan 0.000 0.586 928 K N -1.221 119.107 120.400 -0.119 0.000 2.281 928 K HA -0.106 4.120 4.320 -0.156 0.000 0.203 928 K C -0.191 176.310 176.600 -0.165 0.000 1.046 928 K CA 1.505 57.639 56.287 -0.254 0.000 0.938 928 K CB -0.337 31.737 32.500 -0.710 0.000 0.737 928 K HN 0.383 nan 8.250 nan 0.000 0.458 929 D N 1.738 122.072 120.400 -0.109 0.000 2.218 929 D HA -0.113 4.433 4.640 -0.156 0.000 0.204 929 D C 1.607 177.873 176.300 -0.057 0.000 0.976 929 D CA 1.643 55.595 54.000 -0.079 0.000 0.853 929 D CB 0.009 40.773 40.800 -0.059 0.000 0.939 929 D HN 0.505 nan 8.370 nan 0.000 0.481 930 S N -0.570 115.108 115.700 -0.036 0.000 2.575 930 S HA 0.104 4.480 4.470 -0.156 0.000 0.215 930 S C 1.120 175.710 174.600 -0.015 0.000 0.966 930 S CA -0.259 57.934 58.200 -0.011 0.000 0.911 930 S CB 0.087 63.298 63.200 0.018 0.000 0.780 930 S HN 0.185 nan 8.310 nan 0.000 0.514 931 E N 1.812 121.976 120.200 -0.060 0.000 2.465 931 E HA 0.200 4.456 4.350 -0.156 0.000 0.195 931 E C -0.493 175.961 176.600 -0.243 0.000 1.028 931 E CA -0.447 55.886 56.400 -0.112 0.000 0.899 931 E CB -0.094 29.564 29.700 -0.071 0.000 1.032 931 E HN 0.408 nan 8.360 nan 0.000 0.468 932 N N 1.326 119.902 118.700 -0.208 0.000 2.705 932 N HA -0.155 4.491 4.740 -0.156 0.000 0.255 932 N C -0.452 174.810 175.510 -0.413 0.000 1.008 932 N CA 0.318 53.201 53.050 -0.278 0.000 0.742 932 N CB -0.992 37.259 38.487 -0.392 0.000 0.906 932 N HN 0.004 nan 8.380 nan 0.000 0.541 933 V N 0.777 120.510 119.914 -0.301 0.000 2.584 933 V HA -0.019 4.007 4.120 -0.156 0.000 0.303 933 V C 0.754 176.649 176.094 -0.331 0.000 1.035 933 V CA 0.823 62.912 62.300 -0.351 0.000 1.172 933 V CB 0.951 32.632 31.823 -0.236 0.000 0.896 933 V HN 0.314 nan 8.190 nan 0.000 0.486 934 D N 3.545 123.643 120.400 -0.503 0.000 2.886 934 D HA 0.238 4.784 4.640 -0.156 0.000 0.216 934 D C -0.972 175.084 176.300 -0.407 0.000 1.256 934 D CA -0.428 53.402 54.000 -0.284 0.000 0.844 934 D CB 1.706 42.401 40.800 -0.174 0.000 1.669 934 D HN 0.424 nan 8.370 nan 0.000 0.513 935 Y N 0.811 121.105 120.300 -0.010 0.000 2.584 935 Y HA 0.299 4.754 4.550 -0.159 0.000 0.254 935 Y C 1.465 177.396 175.900 0.052 0.000 1.177 935 Y CA -0.296 57.802 58.100 -0.003 0.000 1.216 935 Y CB 1.293 39.759 38.460 0.010 0.000 1.172 935 Y HN 0.364 nan 8.280 nan 0.000 0.529 936 G N 0.269 109.186 108.800 0.195 0.000 2.491 936 G HA2 0.371 4.238 3.960 -0.156 0.000 0.238 936 G HA3 0.371 4.238 3.960 -0.156 0.000 0.238 936 G C 0.870 175.889 174.900 0.198 0.000 1.277 936 G CA 0.437 45.654 45.100 0.196 0.000 0.851 936 G HN 0.607 nan 8.290 nan 0.000 0.573 937 G N 0.430 109.335 108.800 0.175 0.000 2.583 937 G HA2 -0.272 3.595 3.960 -0.156 0.000 0.292 937 G HA3 -0.272 3.595 3.960 -0.156 0.000 0.292 937 G C 0.800 175.813 174.900 0.187 0.000 1.203 937 G CA 0.349 45.562 45.100 0.188 0.000 0.987 937 G HN 1.138 nan 8.290 nan 0.000 0.554 938 L N 1.271 122.633 121.223 0.233 0.000 2.791 938 L HA 0.230 4.476 4.340 -0.156 0.000 0.239 938 L C 1.216 178.277 176.870 0.318 0.000 1.203 938 L CA 0.084 55.062 54.840 0.230 0.000 1.002 938 L CB 0.179 42.349 42.059 0.186 0.000 1.295 938 L HN 0.479 nan 8.230 nan 0.000 0.504 939 Q N 0.828 120.751 119.800 0.204 0.000 3.159 939 Q HA 0.098 4.344 4.340 -0.156 0.000 0.280 939 Q C 1.270 177.202 176.000 -0.113 0.000 1.403 939 Q CA -0.128 55.573 55.803 -0.169 0.000 0.957 939 Q CB 0.304 28.871 28.738 -0.286 0.000 1.729 939 Q HN 0.590 nan 8.270 nan 0.000 0.551 940 L N -0.029 121.201 121.223 0.012 0.000 2.191 940 L HA -0.201 4.045 4.340 -0.156 0.000 0.212 940 L C 1.350 178.349 176.870 0.215 0.000 1.103 940 L CA 1.330 56.266 54.840 0.159 0.000 0.769 940 L CB -0.083 42.010 42.059 0.056 0.000 0.908 940 L HN 0.498 nan 8.230 nan 0.000 0.438 941 Q N -0.524 119.235 119.800 -0.068 0.000 2.189 941 Q HA 0.251 4.497 4.340 -0.156 0.000 0.221 941 Q C 1.050 176.868 176.000 -0.303 0.000 0.848 941 Q CA 0.431 56.211 55.803 -0.038 0.000 1.007 941 Q CB 1.096 29.759 28.738 -0.124 0.000 1.116 941 Q HN 0.463 nan 8.270 nan 0.000 0.481 942 G N -0.388 107.962 108.800 -0.750 0.000 2.157 942 G HA2 -0.098 3.768 3.960 -0.156 0.000 0.239 942 G HA3 -0.098 3.768 3.960 -0.156 0.000 0.239 942 G C 0.299 174.694 174.900 -0.841 0.000 0.982 942 G CA -0.300 44.073 45.100 -1.212 0.000 0.650 942 G HN 0.800 nan 8.290 nan 0.000 0.527 943 G N -1.719 106.543 108.800 -0.897 0.000 2.333 943 G HA2 0.533 4.399 3.960 -0.156 0.000 0.330 943 G HA3 0.533 4.399 3.960 -0.156 0.000 0.330 943 G C -0.980 173.260 174.900 -1.100 0.000 1.465 943 G CA -0.311 44.239 45.100 -0.915 0.000 0.996 943 G HN 1.014 nan 8.290 nan 0.000 0.655 944 F N -0.725 118.943 119.950 -0.469 0.000 2.577 944 F HA 0.809 5.241 4.527 -0.159 0.000 0.318 944 F C 0.323 175.789 175.800 -0.558 0.000 1.065 944 F CA -1.017 56.624 58.000 -0.599 0.000 0.929 944 F CB 2.297 40.741 39.000 -0.928 0.000 1.237 944 F HN 0.370 nan 8.300 nan 0.000 0.468 945 L N 2.546 123.547 121.223 -0.370 0.000 2.325 945 L HA 0.489 4.735 4.340 -0.156 0.000 0.281 945 L C -0.526 176.128 176.870 -0.360 0.000 1.004 945 L CA -0.939 53.707 54.840 -0.322 0.000 0.823 945 L CB 1.723 43.571 42.059 -0.351 0.000 1.236 945 L HN 0.612 nan 8.230 nan 0.000 0.415 946 K N 1.423 121.700 120.400 -0.205 0.000 2.144 946 K HA 0.455 4.681 4.320 -0.156 0.000 0.270 946 K C -1.221 175.471 176.600 0.154 0.000 1.005 946 K CA -0.643 55.616 56.287 -0.045 0.000 0.932 946 K CB 0.943 33.544 32.500 0.168 0.000 1.021 946 K HN 0.167 nan 8.250 nan 0.000 0.462 947 Y N 1.232 121.595 120.300 0.104 0.000 2.308 947 Y HA 0.323 4.781 4.550 -0.154 0.000 0.329 947 Y C 0.359 176.296 175.900 0.062 0.000 1.111 947 Y CA -1.371 56.772 58.100 0.071 0.000 1.179 947 Y CB 1.476 40.001 38.460 0.108 0.000 1.201 947 Y HN 0.503 nan 8.280 nan 0.000 0.483 948 V N 0.500 120.523 119.914 0.182 0.000 2.962 948 V HA 0.635 4.661 4.120 -0.156 0.000 0.313 948 V C -0.491 175.623 176.094 0.034 0.000 1.099 948 V CA -1.342 61.016 62.300 0.096 0.000 0.971 948 V CB 2.052 33.920 31.823 0.075 0.000 1.028 948 V HN 0.602 nan 8.190 nan 0.000 0.430 949 N N 2.082 120.790 118.700 0.013 0.000 2.508 949 N HA 0.615 5.261 4.740 -0.156 0.000 0.264 949 N C -0.236 175.249 175.510 -0.041 0.000 1.216 949 N CA 0.355 53.389 53.050 -0.026 0.000 0.943 949 N CB 1.290 39.761 38.487 -0.025 0.000 1.113 949 N HN 1.067 nan 8.380 nan 0.000 0.447 950 S N -0.181 115.475 115.700 -0.074 0.000 2.558 950 S HA 0.201 4.577 4.470 -0.156 0.000 0.277 950 S C -0.501 174.046 174.600 -0.088 0.000 1.143 950 S CA -0.729 57.428 58.200 -0.073 0.000 0.865 950 S CB 0.727 63.873 63.200 -0.089 0.000 1.102 950 S HN 0.378 nan 8.310 nan 0.000 0.454 951 D N 2.435 122.802 120.400 -0.055 0.000 2.312 951 D HA 0.059 4.606 4.640 -0.156 0.000 0.211 951 D C 1.685 177.961 176.300 -0.040 0.000 0.964 951 D CA 0.749 54.723 54.000 -0.043 0.000 0.877 951 D CB 0.047 40.837 40.800 -0.016 0.000 0.924 951 D HN 0.494 nan 8.370 nan 0.000 0.515 952 L N 0.133 121.325 121.223 -0.052 0.000 2.240 952 L HA -0.005 4.242 4.340 -0.156 0.000 0.211 952 L C 1.194 178.046 176.870 -0.029 0.000 1.106 952 L CA 1.038 55.875 54.840 -0.005 0.000 0.793 952 L CB -0.039 41.972 42.059 -0.079 0.000 0.927 952 L HN 0.033 nan 8.230 nan 0.000 0.446 953 T N -4.942 109.471 114.554 -0.235 0.000 3.624 953 T HA 0.227 4.484 4.350 -0.156 0.000 0.244 953 T C 0.713 174.936 174.700 -0.796 0.000 1.063 953 T CA -0.629 61.115 62.100 -0.594 0.000 1.252 953 T CB 0.391 68.950 68.868 -0.515 0.000 1.021 953 T HN 0.012 nan 8.240 nan 0.000 0.590 954 K N 0.536 120.639 120.400 -0.495 0.000 2.211 954 K HA -0.112 4.114 4.320 -0.156 0.000 0.204 954 K C 1.378 177.801 176.600 -0.295 0.000 1.047 954 K CA 1.757 57.870 56.287 -0.289 0.000 0.935 954 K CB -0.422 32.014 32.500 -0.107 0.000 0.728 954 K HN 0.793 nan 8.250 nan 0.000 0.452 955 Y N -1.243 119.045 120.300 -0.020 0.000 2.574 955 Y HA 0.072 4.528 4.550 -0.157 0.000 0.294 955 Y C 1.776 177.645 175.900 -0.052 0.000 1.142 955 Y CA 0.439 58.520 58.100 -0.033 0.000 1.314 955 Y CB -0.511 37.935 38.460 -0.024 0.000 0.991 955 Y HN -0.088 nan 8.280 nan 0.000 0.555 956 A N -0.201 122.415 122.820 -0.340 0.000 2.348 956 A HA 0.171 4.397 4.320 -0.156 0.000 0.224 956 A C 0.455 177.972 177.584 -0.112 0.000 1.227 956 A CA -0.455 51.490 52.037 -0.154 0.000 0.885 956 A CB -0.481 18.378 19.000 -0.234 0.000 0.933 956 A HN 0.309 nan 8.150 nan 0.000 0.506 957 N N 0.624 119.248 118.700 -0.125 0.000 2.415 957 N HA 0.343 4.989 4.740 -0.156 0.000 0.248 957 N C -0.222 175.278 175.510 -0.016 0.000 1.271 957 N CA 0.429 53.440 53.050 -0.065 0.000 0.913 957 N CB 0.833 39.277 38.487 -0.073 0.000 1.129 957 N HN 0.192 nan 8.380 nan 0.000 0.444 958 S N -0.770 114.938 115.700 0.013 0.000 2.541 958 S HA 0.288 4.664 4.470 -0.156 0.000 0.271 958 S C -0.755 173.841 174.600 -0.008 0.000 1.133 958 S CA -0.746 57.487 58.200 0.055 0.000 0.876 958 S CB 0.873 64.154 63.200 0.135 0.000 1.105 958 S HN 0.362 nan 8.310 nan 0.000 0.470 959 D N 1.996 122.354 120.400 -0.071 0.000 2.339 959 D HA 0.171 4.717 4.640 -0.156 0.000 0.217 959 D C 0.120 176.046 176.300 -0.623 0.000 1.050 959 D CA 0.420 54.209 54.000 -0.350 0.000 0.856 959 D CB 0.227 40.745 40.800 -0.472 0.000 0.922 959 D HN 0.543 nan 8.370 nan 0.000 0.518 960 W N 0.308 121.633 121.300 0.042 0.000 4.410 960 W HA 0.262 4.828 4.660 -0.155 0.000 0.577 960 W C 0.667 177.206 176.519 0.033 0.000 3.396 960 W CA -0.408 56.962 57.345 0.042 0.000 1.176 960 W CB -0.039 29.454 29.460 0.055 0.000 2.173 960 W HN -0.424 nan 8.180 nan 0.000 0.374 961 R N 0.944 121.631 120.500 0.312 0.000 3.405 961 R HA -0.194 4.052 4.340 -0.156 0.000 0.258 961 R C -0.419 175.939 176.300 0.098 0.000 1.030 961 R CA 0.173 56.365 56.100 0.154 0.000 0.691 961 R CB -2.693 27.684 30.300 0.129 0.000 1.093 961 R HN 0.223 nan 8.270 nan 0.000 0.448 965 R N 1.945 122.372 120.500 -0.121 0.000 4.071 965 R HA 0.223 4.469 4.340 -0.156 0.000 0.220 965 R C 0.814 177.057 176.300 -0.095 0.000 1.614 965 R CA 0.040 56.094 56.100 -0.076 0.000 1.505 965 R CB -0.652 29.627 30.300 -0.036 0.000 1.384 965 R HN 0.289 nan 8.270 nan 0.000 0.758 966 T N -3.195 111.292 114.554 -0.111 0.000 2.867 966 T HA 0.404 4.660 4.350 -0.156 0.000 0.286 966 T C 1.628 176.205 174.700 -0.206 0.000 1.022 966 T CA -0.146 61.877 62.100 -0.128 0.000 0.933 966 T CB 1.089 69.901 68.868 -0.093 0.000 1.280 966 T HN 0.200 nan 8.240 nan 0.000 0.566 967 A N 0.571 123.224 122.820 -0.279 0.000 1.986 967 A HA -0.045 4.181 4.320 -0.156 0.000 0.220 967 A C 2.336 179.709 177.584 -0.350 0.000 1.171 967 A CA 2.212 53.899 52.037 -0.583 0.000 0.640 967 A CB -1.704 17.041 19.000 -0.425 0.000 0.811 967 A HN 1.081 nan 8.150 nan 0.000 0.451 968 T N -4.220 110.251 114.554 -0.137 0.000 3.107 968 T HA 0.173 4.429 4.350 -0.156 0.000 0.249 968 T C 0.522 175.210 174.700 -0.018 0.000 1.096 968 T CA 0.680 62.756 62.100 -0.039 0.000 1.012 968 T CB -0.174 68.709 68.868 0.026 0.000 0.977 968 T HN 0.319 nan 8.240 nan 0.000 0.527 969 N N -0.127 118.543 118.700 -0.051 0.000 2.598 969 N HA 0.373 5.019 4.740 -0.156 0.000 0.295 969 N C 0.570 176.065 175.510 -0.026 0.000 1.729 969 N CA -0.306 52.734 53.050 -0.016 0.000 0.877 969 N CB -0.202 38.283 38.487 -0.005 0.000 1.405 969 N HN 0.273 nan 8.380 nan 0.000 0.491 970 I N -0.102 120.446 120.570 -0.036 0.000 2.179 970 I HA -0.241 3.835 4.170 -0.156 0.000 0.242 970 I C 1.467 177.602 176.117 0.030 0.000 1.088 970 I CA 1.453 62.746 61.300 -0.010 0.000 1.357 970 I CB 0.035 38.038 38.000 0.006 0.000 1.051 970 I HN 0.288 nan 8.210 nan 0.000 0.409 971 D N 0.524 120.947 120.400 0.038 0.000 2.363 971 D HA -0.004 4.542 4.640 -0.156 0.000 0.226 971 D C 1.601 177.927 176.300 0.044 0.000 1.020 971 D CA 0.823 54.851 54.000 0.047 0.000 0.892 971 D CB -0.312 40.517 40.800 0.048 0.000 0.900 971 D HN 0.396 nan 8.370 nan 0.000 0.531 972 G N 0.600 109.422 108.800 0.037 0.000 2.168 972 G HA2 -0.396 3.470 3.960 -0.156 0.000 0.263 972 G HA3 -0.396 3.470 3.960 -0.156 0.000 0.263 972 G C 0.995 175.924 174.900 0.048 0.000 0.977 972 G CA 0.550 45.673 45.100 0.039 0.000 0.659 972 G HN 0.483 nan 8.290 nan 0.000 0.533 973 K N -0.263 120.166 120.400 0.049 0.000 2.404 973 K HA 0.135 4.361 4.320 -0.156 0.000 0.194 973 K C 1.101 177.739 176.600 0.063 0.000 1.023 973 K CA 0.134 56.452 56.287 0.052 0.000 1.094 973 K CB 0.096 32.622 32.500 0.043 0.000 0.841 973 K HN 0.428 nan 8.250 nan 0.000 0.523 974 N N -0.880 117.866 118.700 0.076 0.000 3.124 974 N HA 0.057 4.703 4.740 -0.156 0.000 0.350 974 N C 0.235 175.852 175.510 0.178 0.000 1.411 974 N CA -0.383 52.731 53.050 0.107 0.000 0.729 974 N CB -0.007 38.534 38.487 0.091 0.000 1.379 974 N HN -0.154 nan 8.380 nan 0.000 0.599 975 Y N 0.288 120.608 120.300 0.032 0.000 2.301 975 Y HA 0.248 4.704 4.550 -0.156 0.000 0.295 975 Y C 1.105 177.096 175.900 0.152 0.000 1.126 975 Y CA 1.385 59.515 58.100 0.051 0.000 1.154 975 Y CB -0.408 38.038 38.460 -0.022 0.000 1.075 975 Y HN 0.786 nan 8.280 nan 0.000 0.534 976 G N -0.374 108.490 108.800 0.105 0.000 2.828 976 G HA2 -0.020 3.846 3.960 -0.156 0.000 0.463 976 G HA3 -0.020 3.846 3.960 -0.156 0.000 0.463 976 G C 0.237 175.156 174.900 0.032 0.000 1.394 976 G CA -0.524 44.586 45.100 0.017 0.000 0.862 976 G HN 0.780 nan 8.290 nan 0.000 0.540 977 G N -0.604 108.166 108.800 -0.050 0.000 2.599 977 G HA2 0.706 4.573 3.960 -0.156 0.000 0.264 977 G HA3 0.706 4.573 3.960 -0.156 0.000 0.264 977 G C 0.669 175.289 174.900 -0.466 0.000 1.200 977 G CA 0.694 45.741 45.100 -0.089 0.000 0.896 977 G HN 2.134 nan 8.290 nan 0.000 0.536 978 A N -0.113 122.413 122.820 -0.489 0.000 2.451 978 A HA 0.390 4.617 4.320 -0.156 0.000 0.266 978 A C 1.234 178.485 177.584 -0.555 0.000 1.119 978 A CA 0.082 51.635 52.037 -0.807 0.000 0.786 978 A CB 0.506 19.321 19.000 -0.308 0.000 1.061 978 A HN 0.770 nan 8.150 nan 0.000 0.503 979 E N 2.498 122.294 120.200 -0.674 0.000 2.110 979 E HA -0.075 4.182 4.350 -0.156 0.000 0.193 979 E C -0.405 175.765 176.600 -0.715 0.000 0.988 979 E CA 1.197 57.200 56.400 -0.663 0.000 0.804 979 E CB -0.169 29.038 29.700 -0.823 0.000 0.745 979 E HN 0.621 nan 8.360 nan 0.000 0.458 980 F N -0.188 119.408 119.950 -0.589 0.000 2.394 980 F HA 0.307 4.740 4.527 -0.157 0.000 0.340 980 F C 0.849 176.226 175.800 -0.706 0.000 1.105 980 F CA -0.527 56.911 58.000 -0.938 0.000 1.124 980 F CB 1.447 39.327 39.000 -1.866 0.000 1.145 980 F HN -0.004 nan 8.300 nan 0.000 0.505 981 L N 2.389 123.459 121.223 -0.255 0.000 2.692 981 L HA 0.573 4.819 4.340 -0.156 0.000 0.175 981 L C -1.179 175.768 176.870 0.128 0.000 1.112 981 L CA 0.612 55.453 54.840 0.001 0.000 0.908 981 L CB 0.306 42.321 42.059 -0.074 0.000 1.672 981 L HN 0.427 nan 8.230 nan 0.000 0.500 982 L N -0.658 120.549 121.223 -0.028 0.000 2.466 982 L HA 0.703 4.949 4.340 -0.156 0.000 0.258 982 L C 0.400 177.074 176.870 -0.326 0.000 0.973 982 L CA -0.432 54.294 54.840 -0.190 0.000 0.826 982 L CB 1.828 43.681 42.059 -0.343 0.000 1.372 982 L HN 0.434 nan 8.230 nan 0.000 0.409 983 A N 2.410 124.949 122.820 -0.468 0.000 5.585 983 A HA -0.237 3.989 4.320 -0.156 0.000 0.295 983 A C -0.132 177.183 177.584 -0.449 0.000 1.985 983 A CA 1.025 52.663 52.037 -0.665 0.000 0.716 983 A CB -1.135 16.975 19.000 -1.484 0.000 1.237 983 A HN 0.799 nan 8.150 nan 0.000 0.371 984 N N 1.900 120.278 118.700 -0.537 0.000 2.437 984 N HA 0.387 5.033 4.740 -0.156 0.000 0.243 984 N C -1.113 174.180 175.510 -0.362 0.000 1.041 984 N CA 0.040 52.729 53.050 -0.603 0.000 0.940 984 N CB 0.796 38.634 38.487 -1.080 0.000 1.133 984 N HN 0.618 nan 8.380 nan 0.000 0.506 985 D N 2.394 122.692 120.400 -0.169 0.000 2.339 985 D HA 0.164 4.710 4.640 -0.156 0.000 0.256 985 D C 0.226 176.635 176.300 0.181 0.000 1.214 985 D CA -0.273 53.704 54.000 -0.038 0.000 0.877 985 D CB 0.612 41.376 40.800 -0.059 0.000 1.111 985 D HN 0.361 nan 8.370 nan 0.000 0.478 986 I N 2.909 123.543 120.570 0.107 0.000 2.618 986 I HA -0.016 4.060 4.170 -0.156 0.000 0.284 986 I C 0.606 176.726 176.117 0.005 0.000 1.146 986 I CA 0.001 61.337 61.300 0.060 0.000 1.425 986 I CB 0.591 38.514 38.000 -0.128 0.000 1.383 986 I HN 0.409 nan 8.210 nan 0.000 0.562 987 D N 5.916 126.345 120.400 0.048 0.000 2.470 987 D HA 0.038 4.584 4.640 -0.156 0.000 0.226 987 D C 0.553 176.858 176.300 0.009 0.000 1.196 987 D CA 0.085 54.107 54.000 0.038 0.000 0.979 987 D CB -0.122 40.754 40.800 0.126 0.000 1.059 987 D HN 0.385 nan 8.370 nan 0.000 0.515 988 N N 0.523 119.196 118.700 -0.045 0.000 2.515 988 N HA -0.078 4.568 4.740 -0.156 0.000 0.191 988 N C 1.354 176.817 175.510 -0.078 0.000 1.182 988 N CA 0.225 53.238 53.050 -0.062 0.000 0.879 988 N CB 0.354 38.788 38.487 -0.089 0.000 0.984 988 N HN 0.295 nan 8.380 nan 0.000 0.453 989 S N -0.794 114.873 115.700 -0.054 0.000 2.528 989 S HA 0.018 4.394 4.470 -0.156 0.000 0.219 989 S C 0.663 175.103 174.600 -0.267 0.000 0.985 989 S CA -0.349 57.812 58.200 -0.066 0.000 0.914 989 S CB -0.023 63.223 63.200 0.076 0.000 0.776 989 S HN 0.161 nan 8.310 nan 0.000 0.526 990 N N 3.132 121.697 118.700 -0.225 0.000 2.420 990 N HA 0.247 4.893 4.740 -0.156 0.000 0.262 990 N C -2.131 173.106 175.510 -0.455 0.000 1.144 990 N CA -1.824 50.953 53.050 -0.455 0.000 0.952 990 N CB 1.409 39.890 38.487 -0.009 0.000 1.081 990 N HN 0.015 nan 8.380 nan 0.000 0.480 991 P HA -0.146 nan 4.420 nan 0.000 0.218 991 P C 1.324 178.535 177.300 -0.148 0.000 1.146 991 P CA 0.751 63.641 63.100 -0.351 0.000 0.813 991 P CB 0.461 31.959 31.700 -0.336 0.000 0.778 992 V N -0.899 118.954 119.914 -0.102 0.000 2.379 992 V HA -0.158 3.869 4.120 -0.156 0.000 0.245 992 V C 2.409 178.442 176.094 -0.101 0.000 1.044 992 V CA 1.507 63.783 62.300 -0.039 0.000 1.036 992 V CB -1.011 30.842 31.823 0.050 0.000 0.664 992 V HN -0.025 nan 8.190 nan 0.000 0.453 993 V N -0.288 119.559 119.914 -0.111 0.000 2.427 993 V HA -0.301 3.726 4.120 -0.156 0.000 0.248 993 V C 2.450 178.535 176.094 -0.016 0.000 1.051 993 V CA 1.888 64.133 62.300 -0.091 0.000 1.048 993 V CB -0.718 31.098 31.823 -0.012 0.000 0.666 993 V HN 0.586 nan 8.190 nan 0.000 0.456 994 Q N -0.086 119.683 119.800 -0.052 0.000 2.084 994 Q HA -0.189 4.057 4.340 -0.156 0.000 0.202 994 Q C 2.432 178.445 176.000 0.022 0.000 0.978 994 Q CA 1.820 57.603 55.803 -0.033 0.000 0.844 994 Q CB -0.409 28.257 28.738 -0.121 0.000 0.898 994 Q HN 0.678 nan 8.270 nan 0.000 0.426 995 A N 1.031 123.861 122.820 0.016 0.000 1.930 995 A HA -0.222 4.004 4.320 -0.156 0.000 0.217 995 A C 1.945 179.602 177.584 0.121 0.000 1.175 995 A CA 1.663 53.743 52.037 0.072 0.000 0.627 995 A CB -0.372 18.690 19.000 0.103 0.000 0.815 995 A HN 0.304 nan 8.150 nan 0.000 0.443 996 E N 0.508 120.759 120.200 0.086 0.000 2.106 996 E HA -0.167 4.089 4.350 -0.156 0.000 0.192 996 E C 1.764 178.557 176.600 0.322 0.000 0.984 996 E CA 1.507 57.994 56.400 0.144 0.000 0.806 996 E CB -0.228 29.463 29.700 -0.015 0.000 0.750 996 E HN 0.530 nan 8.360 nan 0.000 0.458 997 E N 0.309 120.701 120.200 0.320 0.000 2.085 997 E HA -0.178 4.079 4.350 -0.156 0.000 0.194 997 E C 2.140 179.084 176.600 0.574 0.000 0.994 997 E CA 1.030 57.752 56.400 0.536 0.000 0.801 997 E CB -0.606 29.354 29.700 0.432 0.000 0.743 997 E HN 0.315 nan 8.360 nan 0.000 0.453 998 L N 1.867 123.279 121.223 0.315 0.000 2.012 998 L HA -0.199 4.047 4.340 -0.156 0.000 0.210 998 L C 1.979 178.951 176.870 0.170 0.000 1.073 998 L CA 2.102 57.025 54.840 0.137 0.000 0.748 998 L CB -0.880 41.189 42.059 0.017 0.000 0.891 998 L HN 0.054 nan 8.230 nan 0.000 0.431 999 N N -1.490 117.388 118.700 0.298 0.000 2.094 999 N HA -0.314 4.333 4.740 -0.156 0.000 0.191 999 N C 1.687 177.586 175.510 0.648 0.000 1.023 999 N CA 1.962 55.282 53.050 0.450 0.000 0.857 999 N CB -0.472 38.269 38.487 0.424 0.000 1.013 999 N HN 0.584 nan 8.380 nan 0.000 0.426 1000 W N 0.743 122.279 121.300 0.393 0.000 2.381 1000 W HA 0.022 4.590 4.660 -0.154 0.000 0.301 1000 W C 1.901 178.555 176.519 0.225 0.000 1.205 1000 W CA 0.546 58.062 57.345 0.286 0.000 1.285 1000 W CB -0.947 28.621 29.460 0.179 0.000 1.133 1000 W HN 0.234 nan 8.180 nan 0.000 0.521 1001 L N 0.233 121.544 121.223 0.147 0.000 2.046 1001 L HA -0.183 4.063 4.340 -0.156 0.000 0.208 1001 L C 2.395 179.153 176.870 -0.185 0.000 1.077 1001 L CA 2.291 56.947 54.840 -0.308 0.000 0.747 1001 L CB -1.682 40.060 42.059 -0.528 0.000 0.896 1001 L HN 0.169 nan 8.230 nan 0.000 0.432 1002 Y N -1.314 118.827 120.300 -0.264 0.000 2.181 1002 Y HA -0.337 4.119 4.550 -0.156 0.000 0.288 1002 Y C 2.538 178.343 175.900 -0.159 0.000 1.146 1002 Y CA 2.109 60.036 58.100 -0.288 0.000 1.164 1002 Y CB -0.580 37.712 38.460 -0.280 0.000 0.982 1002 Y HN 0.390 nan 8.280 nan 0.000 0.515 1003 Y N 0.762 121.039 120.300 -0.040 0.000 2.114 1003 Y HA -0.200 4.255 4.550 -0.159 0.000 0.282 1003 Y C 0.942 176.831 175.900 -0.019 0.000 1.165 1003 Y CA 1.379 59.429 58.100 -0.084 0.000 1.148 1003 Y CB -0.653 38.038 38.460 0.385 0.000 0.972 1003 Y HN 0.025 nan 8.280 nan 0.000 0.504 1007 F N 2.206 121.944 119.950 -0.354 0.000 2.126 1007 F HA -0.006 4.431 4.527 -0.149 0.000 0.299 1007 F C 2.205 177.815 175.800 -0.316 0.000 1.096 1007 F CA 2.241 59.975 58.000 -0.444 0.000 1.255 1007 F CB -0.249 38.556 39.000 -0.326 0.000 0.997 1007 F HN 0.108 nan 8.300 nan 0.000 0.479 1008 G N -0.915 107.746 108.800 -0.232 0.000 2.421 1008 G HA2 -0.239 3.627 3.960 -0.156 0.000 0.216 1008 G HA3 -0.239 3.627 3.960 -0.156 0.000 0.216 1008 G C 1.652 176.411 174.900 -0.236 0.000 1.171 1008 G CA 1.356 46.304 45.100 -0.253 0.000 0.775 1008 G HN 0.387 nan 8.290 nan 0.000 0.543 1009 T N 1.467 115.915 114.554 -0.177 0.000 2.622 1009 T HA -0.110 4.146 4.350 -0.156 0.000 0.266 1009 T C 2.401 177.035 174.700 -0.110 0.000 1.047 1009 T CA 1.306 63.337 62.100 -0.116 0.000 1.159 1009 T CB -0.238 68.577 68.868 -0.089 0.000 0.863 1009 T HN 0.234 nan 8.240 nan 0.000 0.422 1010 I N 1.458 121.932 120.570 -0.160 0.000 2.127 1010 I HA -0.193 3.883 4.170 -0.156 0.000 0.241 1010 I C 2.872 178.944 176.117 -0.076 0.000 1.075 1010 I CA 1.777 63.040 61.300 -0.061 0.000 1.334 1010 I CB -0.551 37.382 38.000 -0.113 0.000 1.040 1010 I HN 0.421 nan 8.210 nan 0.000 0.405 1011 T N -3.133 111.219 114.554 -0.337 0.000 3.057 1011 T HA 0.174 4.430 4.350 -0.156 0.000 0.254 1011 T C 1.378 175.952 174.700 -0.210 0.000 1.094 1011 T CA 0.637 62.559 62.100 -0.296 0.000 1.088 1011 T CB 0.388 68.838 68.868 -0.696 0.000 0.934 1011 T HN 0.394 nan 8.240 nan 0.000 0.497 1012 G N 0.509 109.177 108.800 -0.221 0.000 3.815 1012 G HA2 0.234 4.100 3.960 -0.156 0.000 0.265 1012 G HA3 0.234 4.100 3.960 -0.156 0.000 0.265 1012 G C 0.237 175.087 174.900 -0.084 0.000 1.026 1012 G CA -0.275 44.744 45.100 -0.134 0.000 0.868 1012 G HN 0.340 nan 8.290 nan 0.000 0.476 1013 N N 0.558 119.216 118.700 -0.069 0.000 2.716 1013 N HA -0.212 4.434 4.740 -0.156 0.000 0.250 1013 N C -0.570 174.911 175.510 -0.049 0.000 1.033 1013 N CA 0.868 53.894 53.050 -0.040 0.000 0.727 1013 N CB -1.004 37.475 38.487 -0.014 0.000 0.950 1013 N HN 0.437 nan 8.380 nan 0.000 0.541 1014 N N -0.177 118.478 118.700 -0.075 0.000 2.576 1014 N HA 0.368 5.014 4.740 -0.156 0.000 0.269 1014 N C -2.206 173.264 175.510 -0.066 0.000 1.058 1014 N CA -1.917 51.093 53.050 -0.067 0.000 0.860 1014 N CB 1.401 39.841 38.487 -0.078 0.000 1.249 1014 N HN -0.027 nan 8.380 nan 0.000 0.525 1015 P HA 0.024 nan 4.420 nan 0.000 0.237 1015 P C 0.265 177.536 177.300 -0.048 0.000 1.178 1015 P CA 0.711 63.781 63.100 -0.049 0.000 0.766 1015 P CB 0.661 32.338 31.700 -0.039 0.000 0.876 1016 E N -0.413 119.772 120.200 -0.025 0.000 2.474 1016 E HA 0.198 4.454 4.350 -0.156 0.000 0.195 1016 E C 1.082 177.759 176.600 0.128 0.000 1.039 1016 E CA 0.022 56.442 56.400 0.033 0.000 0.881 1016 E CB 0.187 29.903 29.700 0.026 0.000 0.970 1016 E HN 0.183 nan 8.360 nan 0.000 0.486 1017 A N 1.107 123.932 122.820 0.009 0.000 2.701 1017 A HA 0.223 4.450 4.320 -0.156 0.000 0.297 1017 A C 0.005 177.529 177.584 -0.100 0.000 1.197 1017 A CA -0.512 51.484 52.037 -0.069 0.000 0.963 1017 A CB -0.082 18.854 19.000 -0.106 0.000 1.175 1017 A HN -0.091 nan 8.150 nan 0.000 0.531 1018 N N -0.349 118.337 118.700 -0.022 0.000 2.492 1018 N HA 0.550 5.196 4.740 -0.156 0.000 0.289 1018 N C -0.669 174.811 175.510 -0.050 0.000 1.133 1018 N CA -0.221 52.802 53.050 -0.046 0.000 0.961 1018 N CB 0.583 39.053 38.487 -0.027 0.000 1.186 1018 N HN 0.202 nan 8.380 nan 0.000 0.493 1019 F N 0.307 120.254 119.950 -0.004 0.000 2.444 1019 F HA 0.133 4.570 4.527 -0.149 0.000 0.331 1019 F C 1.860 177.674 175.800 0.024 0.000 1.167 1019 F CA 0.162 58.152 58.000 -0.017 0.000 1.262 1019 F CB 0.769 39.711 39.000 -0.096 0.000 1.196 1019 F HN 0.415 nan 8.300 nan 0.000 0.583 1020 D N 0.086 120.649 120.400 0.272 0.000 2.422 1020 D HA 0.202 4.748 4.640 -0.156 0.000 0.218 1020 D C 0.726 177.195 176.300 0.282 0.000 1.047 1020 D CA 0.504 54.620 54.000 0.195 0.000 0.885 1020 D CB 0.898 41.765 40.800 0.111 0.000 1.035 1020 D HN 0.609 nan 8.370 nan 0.000 0.502 1021 G N 0.896 109.844 108.800 0.247 0.000 2.682 1021 G HA2 0.589 4.455 3.960 -0.156 0.000 0.290 1021 G HA3 0.589 4.455 3.960 -0.156 0.000 0.290 1021 G C -1.293 173.669 174.900 0.104 0.000 1.425 1021 G CA -0.756 44.486 45.100 0.236 0.000 0.807 1021 G HN 0.074 nan 8.290 nan 0.000 0.482 1022 I N -2.192 118.383 120.570 0.008 0.000 2.740 1022 I HA 0.806 4.883 4.170 -0.156 0.000 0.303 1022 I C -0.330 175.749 176.117 -0.064 0.000 1.044 1022 I CA -1.307 59.952 61.300 -0.068 0.000 1.064 1022 I CB 2.474 40.413 38.000 -0.100 0.000 1.249 1022 I HN 0.498 nan 8.210 nan 0.000 0.433 1023 R N 3.828 124.310 120.500 -0.030 0.000 2.346 1023 R HA 0.609 4.855 4.340 -0.156 0.000 0.311 1023 R C -1.547 174.833 176.300 0.133 0.000 0.983 1023 R CA -0.558 55.548 56.100 0.009 0.000 0.880 1023 R CB 1.732 32.037 30.300 0.009 0.000 1.100 1023 R HN 0.687 nan 8.270 nan 0.000 0.453 1024 V N 4.722 124.727 119.914 0.152 0.000 2.353 1024 V HA 0.070 4.096 4.120 -0.156 0.000 0.264 1024 V C 0.028 176.211 176.094 0.149 0.000 1.049 1024 V CA -0.434 62.005 62.300 0.233 0.000 0.896 1024 V CB 0.911 32.884 31.823 0.250 0.000 1.025 1024 V HN 0.790 nan 8.190 nan 0.000 0.475 1025 D N 4.438 124.925 120.400 0.146 0.000 2.255 1025 D HA 0.524 5.071 4.640 -0.156 0.000 0.249 1025 D C 0.756 177.117 176.300 0.100 0.000 1.078 1025 D CA 0.532 54.631 54.000 0.164 0.000 0.896 1025 D CB 1.112 42.066 40.800 0.257 0.000 1.194 1025 D HN 1.008 nan 8.370 nan 0.000 0.429 1026 A N 2.444 125.340 122.820 0.125 0.000 2.791 1026 A HA -0.191 4.035 4.320 -0.156 0.000 0.292 1026 A C 1.543 179.163 177.584 0.061 0.000 1.487 1026 A CA 0.753 52.852 52.037 0.104 0.000 0.760 1026 A CB -2.101 16.930 19.000 0.052 0.000 1.031 1026 A HN 0.454 nan 8.150 nan 0.000 0.503 1027 V N 0.217 120.178 119.914 0.079 0.000 2.252 1027 V HA -0.278 3.748 4.120 -0.156 0.000 0.249 1027 V C 1.926 178.040 176.094 0.034 0.000 1.056 1027 V CA 2.480 64.812 62.300 0.055 0.000 1.022 1027 V CB -0.420 31.448 31.823 0.075 0.000 0.641 1027 V HN 0.748 nan 8.190 nan 0.000 0.445 1028 D N 0.107 120.549 120.400 0.070 0.000 2.358 1028 D HA -0.021 4.525 4.640 -0.156 0.000 0.241 1028 D C 0.844 177.117 176.300 -0.045 0.000 1.094 1028 D CA 0.504 54.525 54.000 0.034 0.000 0.907 1028 D CB -0.490 40.371 40.800 0.102 0.000 0.893 1028 D HN 0.646 nan 8.370 nan 0.000 0.528 1029 N N -0.650 118.010 118.700 -0.065 0.000 2.194 1029 N HA 0.090 4.736 4.740 -0.156 0.000 0.231 1029 N C -0.268 175.132 175.510 -0.183 0.000 1.247 1029 N CA -0.187 52.774 53.050 -0.148 0.000 0.884 1029 N CB 1.582 39.998 38.487 -0.119 0.000 1.146 1029 N HN -0.033 nan 8.380 nan 0.000 0.516 1030 V N -3.287 116.540 119.914 -0.144 0.000 3.130 1030 V HA 0.493 4.519 4.120 -0.156 0.000 0.310 1030 V C -0.938 175.085 176.094 -0.119 0.000 1.158 1030 V CA -1.226 60.986 62.300 -0.147 0.000 1.029 1030 V CB 1.807 33.549 31.823 -0.135 0.000 1.057 1030 V HN -0.123 nan 8.190 nan 0.000 0.436 1031 D N 1.430 121.765 120.400 -0.108 0.000 2.451 1031 D HA -0.005 4.541 4.640 -0.156 0.000 0.254 1031 D C 0.906 177.181 176.300 -0.042 0.000 1.204 1031 D CA 0.875 54.832 54.000 -0.071 0.000 0.896 1031 D CB 1.478 42.242 40.800 -0.059 0.000 1.136 1031 D HN 0.618 nan 8.370 nan 0.000 0.499 1032 V N 4.164 124.059 119.914 -0.031 0.000 3.026 1032 V HA -0.198 3.828 4.120 -0.156 0.000 0.265 1032 V C 1.237 177.379 176.094 0.081 0.000 1.121 1032 V CA 1.498 63.805 62.300 0.012 0.000 1.142 1032 V CB -0.316 31.461 31.823 -0.078 0.000 0.730 1032 V HN 0.548 nan 8.190 nan 0.000 0.503 1033 D N 0.078 120.508 120.400 0.050 0.000 2.158 1033 D HA -0.199 4.347 4.640 -0.156 0.000 0.197 1033 D C 2.041 178.312 176.300 -0.048 0.000 0.995 1033 D CA 1.454 55.473 54.000 0.031 0.000 0.846 1033 D CB -0.198 40.582 40.800 -0.034 0.000 0.941 1033 D HN 0.438 nan 8.370 nan 0.000 0.456 1034 L N 0.299 121.522 121.223 0.000 0.000 2.127 1034 L HA -0.170 4.076 4.340 -0.156 0.000 0.211 1034 L C 2.525 179.515 176.870 0.201 0.000 1.089 1034 L CA 0.600 55.500 54.840 0.100 0.000 0.757 1034 L CB -0.375 41.738 42.059 0.090 0.000 0.899 1034 L HN 0.099 nan 8.230 nan 0.000 0.434 1035 L N -1.100 120.228 121.223 0.175 0.000 2.046 1035 L HA -0.174 4.072 4.340 -0.156 0.000 0.208 1035 L C 2.636 179.593 176.870 0.144 0.000 1.077 1035 L CA 1.186 56.139 54.840 0.188 0.000 0.747 1035 L CB -0.525 41.660 42.059 0.210 0.000 0.896 1035 L HN 0.214 nan 8.230 nan 0.000 0.432 1036 S N -0.021 115.773 115.700 0.156 0.000 2.406 1036 S HA -0.025 4.351 4.470 -0.156 0.000 0.228 1036 S C 1.964 176.671 174.600 0.178 0.000 1.020 1036 S CA 0.823 59.145 58.200 0.203 0.000 0.965 1036 S CB -0.127 63.291 63.200 0.364 0.000 0.798 1036 S HN 0.259 nan 8.310 nan 0.000 0.488 1037 I N 1.913 122.445 120.570 -0.064 0.000 2.226 1037 I HA -0.216 3.860 4.170 -0.156 0.000 0.245 1037 I C 2.681 178.833 176.117 0.058 0.000 1.100 1037 I CA 1.211 62.427 61.300 -0.140 0.000 1.374 1037 I CB -0.423 37.386 38.000 -0.319 0.000 1.057 1037 I HN 0.269 nan 8.210 nan 0.000 0.413 1038 A N 0.636 123.504 122.820 0.081 0.000 1.898 1038 A HA -0.220 4.006 4.320 -0.156 0.000 0.216 1038 A C 2.438 180.112 177.584 0.151 0.000 1.181 1038 A CA 1.555 53.639 52.037 0.078 0.000 0.620 1038 A CB -0.631 18.316 19.000 -0.089 0.000 0.819 1038 A HN 0.355 nan 8.150 nan 0.000 0.442 1039 R N -0.062 120.482 120.500 0.074 0.000 2.097 1039 R HA -0.227 4.019 4.340 -0.156 0.000 0.236 1039 R C 1.459 177.811 176.300 0.086 0.000 1.135 1039 R CA 2.292 58.422 56.100 0.050 0.000 0.934 1039 R CB -0.532 29.793 30.300 0.042 0.000 0.846 1039 R HN 0.448 nan 8.270 nan 0.000 0.431 1040 D N -0.497 119.970 120.400 0.111 0.000 2.117 1040 D HA -0.191 4.355 4.640 -0.156 0.000 0.197 1040 D C 1.678 177.993 176.300 0.025 0.000 0.987 1040 D CA 1.165 55.212 54.000 0.079 0.000 0.829 1040 D CB -0.616 40.269 40.800 0.142 0.000 0.961 1040 D HN 0.328 nan 8.370 nan 0.000 0.460 1041 Y N 0.778 121.049 120.300 -0.048 0.000 2.128 1041 Y HA -0.247 4.207 4.550 -0.160 0.000 0.284 1041 Y C 2.041 177.783 175.900 -0.263 0.000 1.154 1041 Y CA 1.316 59.310 58.100 -0.176 0.000 1.149 1041 Y CB -0.777 37.612 38.460 -0.118 0.000 0.976 1041 Y HN -0.148 nan 8.280 nan 0.000 0.505 1042 F N 0.750 120.396 119.950 -0.508 0.000 2.171 1042 F HA -0.204 4.234 4.527 -0.148 0.000 0.300 1042 F C 2.241 177.795 175.800 -0.412 0.000 1.090 1042 F CA 1.697 59.398 58.000 -0.498 0.000 1.293 1042 F CB -0.788 38.102 39.000 -0.183 0.000 1.013 1042 F HN 0.111 nan 8.300 nan 0.000 0.486 1043 N N 0.282 118.916 118.700 -0.110 0.000 2.069 1043 N HA -0.164 4.482 4.740 -0.156 0.000 0.191 1043 N C 2.029 177.391 175.510 -0.247 0.000 1.031 1043 N CA 1.543 54.517 53.050 -0.127 0.000 0.852 1043 N CB -0.806 37.642 38.487 -0.065 0.000 1.018 1043 N HN 0.268 nan 8.380 nan 0.000 0.423 1044 A N 0.542 123.138 122.820 -0.373 0.000 1.873 1044 A HA 0.105 4.331 4.320 -0.156 0.000 0.215 1044 A C 2.288 179.430 177.584 -0.736 0.000 1.186 1044 A CA 1.893 53.647 52.037 -0.471 0.000 0.616 1044 A CB -0.808 17.860 19.000 -0.554 0.000 0.823 1044 A HN 0.321 nan 8.150 nan 0.000 0.442 1045 A N -1.937 120.167 122.820 -1.193 0.000 1.929 1045 A HA 0.133 4.360 4.320 -0.156 0.000 0.216 1045 A C 1.632 178.608 177.584 -1.013 0.000 1.176 1045 A CA 1.456 52.691 52.037 -1.336 0.000 0.628 1045 A CB -0.386 17.292 19.000 -2.204 0.000 0.816 1045 A HN 0.624 nan 8.150 nan 0.000 0.444 1046 Y N -2.094 117.971 120.300 -0.392 0.000 2.563 1046 Y HA 0.284 4.741 4.550 -0.156 0.000 0.250 1046 Y C 0.609 176.432 175.900 -0.128 0.000 1.126 1046 Y CA -1.058 56.889 58.100 -0.255 0.000 1.231 1046 Y CB -0.410 37.790 38.460 -0.434 0.000 1.288 1046 Y HN 0.311 nan 8.280 nan 0.000 0.537 1050 Q N 1.929 121.626 119.800 -0.172 0.000 2.083 1050 Q HA 0.011 4.257 4.340 -0.156 0.000 0.198 1050 Q C 0.614 176.353 176.000 -0.435 0.000 0.969 1050 Q CA 1.870 57.552 55.803 -0.200 0.000 0.838 1050 Q CB 0.452 29.123 28.738 -0.112 0.000 0.900 1050 Q HN 0.209 nan 8.270 nan 0.000 0.436 1051 S N -2.258 113.069 115.700 -0.622 0.000 2.615 1051 S HA 0.295 4.672 4.470 -0.156 0.000 0.268 1051 S C -0.336 174.034 174.600 -0.384 0.000 1.146 1051 S CA -0.446 57.366 58.200 -0.647 0.000 0.818 1051 S CB 0.294 63.358 63.200 -0.227 0.000 1.111 1051 S HN 0.050 nan 8.310 nan 0.000 0.465 1052 D N 1.393 121.769 120.400 -0.040 0.000 2.123 1052 D HA -0.009 4.537 4.640 -0.156 0.000 0.196 1052 D C 2.219 178.552 176.300 0.055 0.000 0.992 1052 D CA 2.014 56.094 54.000 0.133 0.000 0.833 1052 D CB -0.783 40.118 40.800 0.169 0.000 0.954 1052 D HN 0.731 nan 8.370 nan 0.000 0.455 1053 A N 0.371 123.197 122.820 0.010 0.000 1.933 1053 A HA -0.178 4.048 4.320 -0.156 0.000 0.218 1053 A C 2.353 179.938 177.584 0.002 0.000 1.175 1053 A CA 2.093 54.133 52.037 0.007 0.000 0.628 1053 A CB -0.631 18.366 19.000 -0.005 0.000 0.814 1053 A HN 0.231 nan 8.150 nan 0.000 0.444 1054 S N -0.748 114.941 115.700 -0.018 0.000 2.357 1054 S HA 0.056 4.432 4.470 -0.156 0.000 0.221 1054 S C 2.216 176.850 174.600 0.056 0.000 1.031 1054 S CA 1.383 59.589 58.200 0.010 0.000 0.982 1054 S CB -0.453 62.733 63.200 -0.024 0.000 0.853 1054 S HN 0.779 nan 8.310 nan 0.000 0.458 1055 A N 1.932 124.767 122.820 0.024 0.000 1.902 1055 A HA -0.063 4.163 4.320 -0.156 0.000 0.217 1055 A C 1.816 179.500 177.584 0.166 0.000 1.181 1055 A CA 1.815 53.862 52.037 0.017 0.000 0.623 1055 A CB -0.892 18.050 19.000 -0.097 0.000 0.818 1055 A HN 0.604 nan 8.150 nan 0.000 0.443 1056 N N -0.053 118.746 118.700 0.166 0.000 2.550 1056 N HA -0.032 4.614 4.740 -0.156 0.000 0.186 1056 N C 1.162 176.704 175.510 0.053 0.000 1.110 1056 N CA 0.839 53.994 53.050 0.175 0.000 0.912 1056 N CB -0.201 38.362 38.487 0.125 0.000 0.968 1056 N HN 0.566 nan 8.380 nan 0.000 0.448 1057 K N -0.233 120.144 120.400 -0.038 0.000 2.432 1057 K HA 0.031 4.257 4.320 -0.156 0.000 0.196 1057 K C -0.208 176.039 176.600 -0.589 0.000 1.038 1057 K CA 0.715 56.828 56.287 -0.291 0.000 0.986 1057 K CB 0.189 32.463 32.500 -0.377 0.000 0.782 1057 K HN 0.341 nan 8.250 nan 0.000 0.485 1058 H N 0.733 119.828 119.070 0.041 0.000 2.607 1058 H HA 0.150 4.611 4.556 -0.159 0.000 0.248 1058 H C -0.756 174.670 175.328 0.163 0.000 1.355 1058 H CA -0.654 55.431 56.048 0.061 0.000 1.524 1058 H CB 0.422 30.212 29.762 0.046 0.000 1.563 1058 H HN -0.066 nan 8.280 nan 0.000 0.509 1059 I N 2.850 123.512 120.570 0.153 0.000 2.505 1059 I HA 0.008 4.084 4.170 -0.156 0.000 0.287 1059 I C 0.429 176.546 176.117 -0.000 0.000 1.104 1059 I CA 0.123 61.452 61.300 0.048 0.000 1.387 1059 I CB -0.241 37.724 38.000 -0.059 0.000 1.404 1059 I HN 0.345 nan 8.210 nan 0.000 0.528 1060 N N 7.920 126.610 118.700 -0.018 0.000 2.370 1060 N HA 0.654 5.301 4.740 -0.156 0.000 0.303 1060 N C -0.328 175.080 175.510 -0.171 0.000 1.103 1060 N CA -0.502 52.486 53.050 -0.102 0.000 0.848 1060 N CB 3.057 41.441 38.487 -0.170 0.000 1.235 1060 N HN 0.551 nan 8.380 nan 0.000 0.496 1061 I N -2.194 118.263 120.570 -0.188 0.000 2.892 1061 I HA 0.591 4.667 4.170 -0.156 0.000 0.306 1061 I C -1.204 174.871 176.117 -0.070 0.000 1.078 1061 I CA -1.008 60.141 61.300 -0.251 0.000 1.032 1061 I CB 2.015 39.580 38.000 -0.724 0.000 1.229 1061 I HN 0.133 nan 8.210 nan 0.000 0.435 1062 L N 2.832 124.102 121.223 0.079 0.000 2.341 1062 L HA 0.441 4.687 4.340 -0.156 0.000 0.278 1062 L C 0.105 177.046 176.870 0.118 0.000 1.005 1062 L CA -0.440 54.467 54.840 0.112 0.000 0.818 1062 L CB 1.939 44.073 42.059 0.125 0.000 1.259 1062 L HN 0.730 nan 8.230 nan 0.000 0.418 1063 E N 3.922 124.150 120.200 0.047 0.000 1.979 1063 E HA 0.023 4.279 4.350 -0.156 0.000 0.285 1063 E C -1.045 175.475 176.600 -0.134 0.000 1.188 1063 E CA -0.364 55.989 56.400 -0.078 0.000 1.214 1063 E CB 0.151 29.873 29.700 0.036 0.000 1.210 1063 E HN 0.483 nan 8.360 nan 0.000 0.477 1064 D N 2.029 122.324 120.400 -0.176 0.000 2.472 1064 D HA 0.027 4.573 4.640 -0.156 0.000 0.234 1064 D C 0.056 176.311 176.300 -0.075 0.000 1.088 1064 D CA -0.728 53.242 54.000 -0.051 0.000 0.882 1064 D CB -0.024 40.797 40.800 0.035 0.000 1.037 1064 D HN 0.387 nan 8.370 nan 0.000 0.520 1065 W N 2.581 123.968 121.300 0.146 0.000 2.584 1065 W HA 0.196 4.893 4.660 0.061 0.000 0.264 1065 W C 1.730 178.392 176.519 0.237 0.000 1.264 1065 W CA -0.046 57.406 57.345 0.178 0.000 1.306 1065 W CB 0.366 29.917 29.460 0.152 0.000 1.110 1065 W HN 0.435 nan 8.180 nan 0.000 0.606 1066 G N -0.402 108.618 108.800 0.367 0.000 2.378 1066 G HA2 -0.009 3.857 3.960 -0.156 0.000 0.255 1066 G HA3 -0.009 3.857 3.960 -0.156 0.000 0.255 1066 G C -0.331 174.802 174.900 0.389 0.000 1.270 1066 G CA -0.539 44.756 45.100 0.326 0.000 0.876 1066 G HN 0.125 nan 8.290 nan 0.000 0.521 1067 W N 0.532 121.889 121.300 0.095 0.000 2.611 1067 W HA 0.084 4.642 4.660 -0.169 0.000 0.251 1067 W C 1.374 177.928 176.519 0.059 0.000 1.265 1067 W CA 0.191 57.576 57.345 0.067 0.000 1.295 1067 W CB 0.257 29.752 29.460 0.058 0.000 1.129 1067 W HN 0.497 nan 8.180 nan 0.000 0.630 1068 D N -0.728 119.832 120.400 0.266 0.000 2.350 1068 D HA -0.081 4.465 4.640 -0.156 0.000 0.213 1068 D C 1.154 177.548 176.300 0.157 0.000 1.031 1068 D CA 0.669 54.776 54.000 0.178 0.000 0.861 1068 D CB -0.084 40.804 40.800 0.147 0.000 0.926 1068 D HN 0.093 nan 8.370 nan 0.000 0.520 1069 D N 0.697 121.191 120.400 0.158 0.000 2.144 1069 D HA -0.085 4.461 4.640 -0.156 0.000 0.200 1069 D C -0.762 175.632 176.300 0.156 0.000 0.978 1069 D CA 0.729 54.824 54.000 0.157 0.000 0.833 1069 D CB -1.251 39.631 40.800 0.136 0.000 0.961 1069 D HN 0.246 nan 8.370 nan 0.000 0.470 1070 P HA -0.080 nan 4.420 nan 0.000 0.216 1070 P C 1.196 178.539 177.300 0.073 0.000 1.150 1070 P CA 1.772 64.906 63.100 0.057 0.000 0.837 1070 P CB -0.006 31.689 31.700 -0.008 0.000 0.786 1071 A N -1.385 121.489 122.820 0.090 0.000 1.902 1071 A HA -0.245 3.981 4.320 -0.156 0.000 0.217 1071 A C 2.288 179.937 177.584 0.108 0.000 1.181 1071 A CA 1.574 53.662 52.037 0.085 0.000 0.623 1071 A CB -1.897 17.160 19.000 0.095 0.000 0.818 1071 A HN 0.180 nan 8.150 nan 0.000 0.443 1072 Y N 0.467 120.793 120.300 0.044 0.000 2.163 1072 Y HA -0.157 4.296 4.550 -0.162 0.000 0.288 1072 Y C 2.382 178.310 175.900 0.046 0.000 1.136 1072 Y CA 1.903 60.031 58.100 0.048 0.000 1.147 1072 Y CB -0.365 38.129 38.460 0.056 0.000 0.987 1072 Y HN 0.057 nan 8.280 nan 0.000 0.509 1073 V N 1.049 121.024 119.914 0.101 0.000 2.282 1073 V HA -0.387 3.639 4.120 -0.156 0.000 0.249 1073 V C 2.194 178.253 176.094 -0.059 0.000 1.057 1073 V CA 2.342 64.653 62.300 0.020 0.000 1.032 1073 V CB -1.049 30.833 31.823 0.099 0.000 0.645 1073 V HN 0.513 nan 8.190 nan 0.000 0.447 1074 N N 0.333 119.016 118.700 -0.029 0.000 2.104 1074 N HA -0.234 4.412 4.740 -0.156 0.000 0.190 1074 N C 1.867 177.327 175.510 -0.083 0.000 1.024 1074 N CA 1.910 54.938 53.050 -0.037 0.000 0.853 1074 N CB -0.301 38.177 38.487 -0.014 0.000 1.008 1074 N HN 0.477 nan 8.380 nan 0.000 0.424 1075 K N 0.366 120.690 120.400 -0.127 0.000 2.103 1075 K HA -0.113 4.113 4.320 -0.156 0.000 0.207 1075 K C 1.603 178.076 176.600 -0.211 0.000 1.048 1075 K CA 1.531 57.723 56.287 -0.157 0.000 0.930 1075 K CB -0.275 32.123 32.500 -0.170 0.000 0.716 1075 K HN 0.545 nan 8.250 nan 0.000 0.444 1076 I N -3.433 116.945 120.570 -0.320 0.000 3.735 1076 I HA 0.294 4.371 4.170 -0.156 0.000 0.310 1076 I C 0.642 176.686 176.117 -0.121 0.000 1.270 1076 I CA 0.435 61.586 61.300 -0.248 0.000 1.207 1076 I CB 0.400 38.203 38.000 -0.328 0.000 1.013 1076 I HN 0.247 nan 8.210 nan 0.000 0.452 1077 G N 1.719 110.460 108.800 -0.098 0.000 2.135 1077 G HA2 -0.256 3.610 3.960 -0.156 0.000 0.183 1077 G HA3 -0.256 3.610 3.960 -0.156 0.000 0.183 1077 G C 0.006 174.876 174.900 -0.051 0.000 1.004 1077 G CA -0.136 44.925 45.100 -0.064 0.000 0.677 1077 G HN 0.445 nan 8.290 nan 0.000 0.512 1078 N N -1.165 117.523 118.700 -0.020 0.000 2.699 1078 N HA -0.166 4.480 4.740 -0.156 0.000 0.256 1078 N C -0.825 174.714 175.510 0.049 0.000 0.993 1078 N CA 1.245 54.333 53.050 0.062 0.000 0.759 1078 N CB -0.379 38.181 38.487 0.121 0.000 0.906 1078 N HN 0.511 nan 8.380 nan 0.000 0.541 1079 P HA -0.123 nan 4.420 nan 0.000 0.222 1079 P C -0.088 177.220 177.300 0.013 0.000 1.153 1079 P CA 1.500 64.553 63.100 -0.079 0.000 0.798 1079 P CB 0.469 32.130 31.700 -0.064 0.000 0.796 1080 Q N -0.567 119.307 119.800 0.123 0.000 2.331 1080 Q HA 0.466 4.712 4.340 -0.156 0.000 0.272 1080 Q C -0.723 175.375 176.000 0.165 0.000 1.062 1080 Q CA -0.569 55.322 55.803 0.147 0.000 0.806 1080 Q CB 1.849 30.599 28.738 0.019 0.000 1.312 1080 Q HN -0.055 nan 8.270 nan 0.000 0.431 1081 L N 1.774 123.041 121.223 0.074 0.000 2.534 1081 L HA 0.131 4.377 4.340 -0.156 0.000 0.271 1081 L C 0.916 177.898 176.870 0.187 0.000 1.178 1081 L CA 0.086 54.964 54.840 0.063 0.000 0.907 1081 L CB 0.359 42.382 42.059 -0.061 0.000 1.164 1081 L HN 0.686 nan 8.230 nan 0.000 0.482 1085 D N 1.067 121.242 120.400 -0.376 0.000 2.224 1085 D HA 0.005 4.551 4.640 -0.156 0.000 0.205 1085 D C 1.902 178.008 176.300 -0.323 0.000 0.965 1085 D CA 0.997 54.857 54.000 -0.234 0.000 0.852 1085 D CB 0.453 41.313 40.800 0.100 0.000 0.947 1085 D HN 0.290 nan 8.370 nan 0.000 0.494 1086 R N -0.417 119.591 120.500 -0.820 0.000 2.112 1086 R HA -0.170 4.077 4.340 -0.156 0.000 0.242 1086 R C 2.188 178.291 176.300 -0.329 0.000 1.137 1086 R CA 1.383 56.995 56.100 -0.813 0.000 0.944 1086 R CB -0.545 29.230 30.300 -0.875 0.000 0.857 1086 R HN 0.238 nan 8.270 nan 0.000 0.435 1087 L N 0.911 121.948 121.223 -0.310 0.000 2.072 1087 L HA -0.092 4.154 4.340 -0.156 0.000 0.205 1087 L C 2.406 179.155 176.870 -0.202 0.000 1.079 1087 L CA 1.628 56.335 54.840 -0.221 0.000 0.752 1087 L CB -0.405 41.520 42.059 -0.223 0.000 0.906 1087 L HN 0.022 nan 8.230 nan 0.000 0.436 1088 R N -0.526 119.818 120.500 -0.260 0.000 2.081 1088 R HA -0.175 4.071 4.340 -0.156 0.000 0.235 1088 R C 2.044 178.268 176.300 -0.126 0.000 1.131 1088 R CA 1.658 57.594 56.100 -0.274 0.000 0.960 1088 R CB -0.321 29.706 30.300 -0.455 0.000 0.856 1088 R HN 0.504 nan 8.270 nan 0.000 0.436 1089 N N 0.346 119.026 118.700 -0.033 0.000 2.223 1089 N HA -0.148 4.498 4.740 -0.156 0.000 0.185 1089 N C 1.559 177.090 175.510 0.034 0.000 1.016 1089 N CA 1.280 54.369 53.050 0.065 0.000 0.863 1089 N CB -0.080 38.553 38.487 0.242 0.000 0.983 1089 N HN 0.323 nan 8.380 nan 0.000 0.429 1090 A N 1.491 124.305 122.820 -0.010 0.000 1.898 1090 A HA -0.009 4.217 4.320 -0.156 0.000 0.216 1090 A C 1.521 179.086 177.584 -0.032 0.000 1.181 1090 A CA 0.471 52.497 52.037 -0.017 0.000 0.620 1090 A CB -0.385 18.587 19.000 -0.046 0.000 0.819 1090 A HN 0.130 nan 8.150 nan 0.000 0.442 1094 T N -1.877 112.674 114.554 -0.005 0.000 2.955 1094 T HA 0.378 4.634 4.350 -0.156 0.000 0.251 1094 T C 1.590 176.284 174.700 -0.011 0.000 1.002 1094 T CA 0.141 62.235 62.100 -0.010 0.000 0.970 1094 T CB 0.487 69.348 68.868 -0.011 0.000 1.091 1094 T HN 0.059 nan 8.240 nan 0.000 0.495 1095 L N -0.059 121.160 121.223 -0.006 0.000 2.713 1095 L HA 0.372 4.618 4.340 -0.156 0.000 0.223 1095 L C 2.374 179.268 176.870 0.040 0.000 1.040 1095 L CA 0.201 55.045 54.840 0.006 0.000 0.894 1095 L CB 0.134 42.188 42.059 -0.007 0.000 1.361 1095 L HN 0.077 nan 8.230 nan 0.000 0.490 1096 S N 0.404 116.132 115.700 0.046 0.000 2.489 1096 S HA 0.088 4.464 4.470 -0.156 0.000 0.228 1096 S C 1.019 175.723 174.600 0.172 0.000 0.995 1096 S CA 0.534 58.796 58.200 0.102 0.000 0.934 1096 S CB -0.148 63.092 63.200 0.066 0.000 0.771 1096 S HN 0.426 nan 8.310 nan 0.000 0.522 1097 G N 0.873 109.712 108.800 0.064 0.000 2.562 1097 G HA2 0.588 4.454 3.960 -0.156 0.000 0.275 1097 G HA3 0.588 4.454 3.960 -0.156 0.000 0.275 1097 G C -0.022 174.680 174.900 -0.331 0.000 1.196 1097 G CA -0.301 44.791 45.100 -0.013 0.000 0.908 1097 G HN 0.429 nan 8.290 nan 0.000 0.524 1098 A N 0.817 123.311 122.820 -0.544 0.000 2.448 1098 A HA 0.462 4.688 4.320 -0.156 0.000 0.239 1098 A C -0.786 176.475 177.584 -0.538 0.000 1.080 1098 A CA -0.604 50.822 52.037 -1.018 0.000 0.779 1098 A CB 0.246 18.920 19.000 -0.544 0.000 1.026 1098 A HN 0.418 nan 8.150 nan 0.000 0.499 1099 P HA -0.194 nan 4.420 nan 0.000 0.216 1099 P C 0.672 177.882 177.300 -0.150 0.000 1.150 1099 P CA 1.782 64.748 63.100 -0.223 0.000 0.843 1099 P CB -0.036 31.575 31.700 -0.147 0.000 0.787 1100 D N -1.475 118.838 120.400 -0.145 0.000 2.363 1100 D HA -0.110 4.437 4.640 -0.156 0.000 0.226 1100 D C 1.223 177.472 176.300 -0.085 0.000 1.020 1100 D CA 0.911 54.854 54.000 -0.094 0.000 0.892 1100 D CB -0.337 40.419 40.800 -0.073 0.000 0.900 1100 D HN 0.133 nan 8.370 nan 0.000 0.531 1101 K N -0.207 120.127 120.400 -0.111 0.000 2.350 1101 K HA 0.103 4.330 4.320 -0.156 0.000 0.196 1101 K C 0.399 176.961 176.600 -0.062 0.000 1.084 1101 K CA -0.248 55.992 56.287 -0.078 0.000 0.967 1101 K CB -0.120 32.333 32.500 -0.079 0.000 0.950 1101 K HN 0.048 nan 8.250 nan 0.000 0.512 1102 N N 3.011 121.665 118.700 -0.077 0.000 2.454 1102 N HA 0.007 4.653 4.740 -0.156 0.000 0.254 1102 N C 0.193 175.684 175.510 -0.032 0.000 1.228 1102 N CA 0.511 53.531 53.050 -0.050 0.000 0.900 1102 N CB 0.635 39.090 38.487 -0.054 0.000 1.089 1102 N HN 0.134 nan 8.380 nan 0.000 0.449 1103 Q N 0.241 120.030 119.800 -0.019 0.000 2.166 1103 Q HA 0.628 4.874 4.340 -0.156 0.000 0.226 1103 Q C -0.175 175.820 176.000 -0.007 0.000 0.989 1103 Q CA -1.019 54.777 55.803 -0.011 0.000 0.966 1103 Q CB 0.782 29.519 28.738 -0.003 0.000 1.173 1103 Q HN 0.672 nan 8.270 nan 0.000 0.509 1104 A N 0.782 123.600 122.820 -0.003 0.000 2.565 1104 A HA -0.033 4.193 4.320 -0.156 0.000 0.237 1104 A C 0.684 178.268 177.584 -0.000 0.000 1.053 1104 A CA 0.194 52.231 52.037 -0.001 0.000 0.755 1104 A CB -0.161 18.840 19.000 0.002 0.000 0.980 1104 A HN 0.787 nan 8.150 nan 0.000 0.506 1105 L N 1.871 123.095 121.223 0.000 0.000 2.456 1105 L HA -0.176 4.070 4.340 -0.156 0.000 0.224 1105 L C 1.761 178.629 176.870 -0.003 0.000 1.148 1105 L CA 1.044 55.883 54.840 -0.002 0.000 0.825 1105 L CB -0.557 41.503 42.059 0.001 0.000 0.937 1105 L HN 0.823 nan 8.230 nan 0.000 0.450 1106 N N 0.345 119.045 118.700 0.001 0.000 2.192 1106 N HA -0.252 4.394 4.740 -0.156 0.000 0.188 1106 N C 1.704 177.213 175.510 -0.002 0.000 1.013 1106 N CA 1.101 54.152 53.050 0.001 0.000 0.863 1106 N CB -0.194 38.296 38.487 0.005 0.000 0.990 1106 N HN 0.271 nan 8.380 nan 0.000 0.430 1107 K N 0.878 121.278 120.400 -0.001 0.000 2.160 1107 K HA -0.101 4.125 4.320 -0.156 0.000 0.206 1107 K C 1.604 178.193 176.600 -0.017 0.000 1.047 1107 K CA 0.856 57.142 56.287 -0.001 0.000 0.930 1107 K CB -0.138 32.367 32.500 0.008 0.000 0.720 1107 K HN 0.204 nan 8.250 nan 0.000 0.450 1108 L N 0.602 121.811 121.223 -0.023 0.000 2.127 1108 L HA -0.211 4.035 4.340 -0.156 0.000 0.211 1108 L C 2.204 179.050 176.870 -0.040 0.000 1.089 1108 L CA 1.128 55.944 54.840 -0.039 0.000 0.757 1108 L CB -0.323 41.714 42.059 -0.038 0.000 0.899 1108 L HN 0.240 nan 8.230 nan 0.000 0.434 1109 I N -0.875 119.680 120.570 -0.026 0.000 2.353 1109 I HA -0.195 3.881 4.170 -0.156 0.000 0.248 1109 I C 2.401 178.502 176.117 -0.026 0.000 1.119 1109 I CA 1.735 63.022 61.300 -0.022 0.000 1.417 1109 I CB -0.323 37.672 38.000 -0.009 0.000 1.078 1109 I HN 0.379 nan 8.210 nan 0.000 0.421 1110 T N -3.090 111.450 114.554 -0.024 0.000 3.038 1110 T HA -0.014 4.242 4.350 -0.156 0.000 0.244 1110 T C 1.148 175.824 174.700 -0.039 0.000 1.016 1110 T CA -0.217 61.870 62.100 -0.023 0.000 1.098 1110 T CB -0.167 68.698 68.868 -0.006 0.000 0.954 1110 T HN 0.158 nan 8.240 nan 0.000 0.469 1111 Q N 1.724 121.497 119.800 -0.044 0.000 2.534 1111 Q HA 0.493 4.739 4.340 -0.156 0.000 0.223 1111 Q C -0.798 175.114 176.000 -0.148 0.000 1.239 1111 Q CA -0.300 55.460 55.803 -0.072 0.000 0.936 1111 Q CB -0.157 28.568 28.738 -0.021 0.000 1.457 1111 Q HN 0.443 nan 8.270 nan 0.000 0.547 1112 S N 2.123 117.720 115.700 -0.171 0.000 2.627 1112 S HA 0.194 4.570 4.470 -0.156 0.000 0.268 1112 S C 0.222 174.717 174.600 -0.175 0.000 1.130 1112 S CA -0.714 57.368 58.200 -0.197 0.000 0.819 1112 S CB 0.410 63.525 63.200 -0.141 0.000 1.100 1112 S HN 0.671 nan 8.310 nan 0.000 0.465 1113 L N 1.448 122.564 121.223 -0.178 0.000 2.353 1113 L HA 0.149 4.395 4.340 -0.156 0.000 0.220 1113 L C -0.045 176.775 176.870 -0.084 0.000 1.133 1113 L CA 0.705 55.469 54.840 -0.127 0.000 0.798 1113 L CB -0.152 41.834 42.059 -0.123 0.000 0.922 1113 L HN 0.377 nan 8.230 nan 0.000 0.445 1114 V N -0.307 119.558 119.914 -0.083 0.000 2.531 1114 V HA 0.225 4.251 4.120 -0.156 0.000 0.301 1114 V C -0.172 175.895 176.094 -0.046 0.000 1.034 1114 V CA -0.944 61.323 62.300 -0.054 0.000 0.865 1114 V CB 1.847 33.641 31.823 -0.048 0.000 0.995 1114 V HN 0.112 nan 8.190 nan 0.000 0.424 1115 N N 3.896 122.578 118.700 -0.029 0.000 2.458 1115 N HA 0.284 4.930 4.740 -0.156 0.000 0.270 1115 N C 0.363 175.867 175.510 -0.009 0.000 1.102 1115 N CA -0.210 52.829 53.050 -0.019 0.000 0.967 1115 N CB 1.173 39.655 38.487 -0.009 0.000 1.078 1115 N HN 0.597 nan 8.380 nan 0.000 0.471 1116 R N 2.537 123.031 120.500 -0.010 0.000 2.509 1116 R HA 0.211 4.457 4.340 -0.156 0.000 0.300 1116 R C 1.393 177.700 176.300 0.011 0.000 0.985 1116 R CA -0.144 55.954 56.100 -0.003 0.000 1.092 1116 R CB 0.386 30.675 30.300 -0.018 0.000 1.237 1116 R HN 0.599 nan 8.270 nan 0.000 0.546 1117 A N 1.633 124.462 122.820 0.015 0.000 1.883 1117 A HA -0.100 4.126 4.320 -0.156 0.000 0.217 1117 A C 0.856 178.469 177.584 0.049 0.000 1.186 1117 A CA 1.213 53.266 52.037 0.027 0.000 0.624 1117 A CB 0.061 19.075 19.000 0.023 0.000 0.822 1117 A HN 0.241 nan 8.150 nan 0.000 0.444 1118 N N 0.399 119.130 118.700 0.052 0.000 2.726 1118 N HA 0.099 4.745 4.740 -0.156 0.000 0.253 1118 N C -1.876 173.677 175.510 0.072 0.000 1.530 1118 N CA -0.291 52.805 53.050 0.078 0.000 0.772 1118 N CB 0.882 39.406 38.487 0.061 0.000 1.220 1118 N HN 0.273 nan 8.380 nan 0.000 0.508 1119 D N 1.693 122.141 120.400 0.080 0.000 2.422 1119 D HA 0.098 4.644 4.640 -0.156 0.000 0.227 1119 D C 0.383 176.740 176.300 0.094 0.000 1.190 1119 D CA -0.140 53.899 54.000 0.065 0.000 0.905 1119 D CB 0.221 41.048 40.800 0.045 0.000 1.034 1119 D HN 0.348 nan 8.370 nan 0.000 0.507 1120 N N 1.438 120.183 118.700 0.075 0.000 2.238 1120 N HA 0.033 4.679 4.740 -0.156 0.000 0.235 1120 N C -0.413 175.126 175.510 0.049 0.000 1.209 1120 N CA -0.444 52.651 53.050 0.075 0.000 0.879 1120 N CB 0.391 38.911 38.487 0.056 0.000 1.136 1120 N HN 0.252 nan 8.380 nan 0.000 0.517 1121 T N -3.189 111.390 114.554 0.043 0.000 2.887 1121 T HA 0.645 4.901 4.350 -0.156 0.000 0.292 1121 T C -0.789 173.930 174.700 0.032 0.000 1.087 1121 T CA -0.728 61.391 62.100 0.031 0.000 1.009 1121 T CB 2.566 71.446 68.868 0.021 0.000 1.203 1121 T HN 0.035 nan 8.240 nan 0.000 0.518 1122 E N 0.351 120.567 120.200 0.026 0.000 2.369 1122 E HA 0.417 4.673 4.350 -0.156 0.000 0.270 1122 E C -0.593 176.015 176.600 0.015 0.000 0.909 1122 E CA -1.231 55.184 56.400 0.025 0.000 0.775 1122 E CB 1.316 31.035 29.700 0.032 0.000 1.270 1122 E HN 0.768 nan 8.360 nan 0.000 0.445 1123 N N -0.086 118.621 118.700 0.010 0.000 2.735 1123 N HA -0.242 4.404 4.740 -0.156 0.000 0.248 1123 N C -0.116 175.388 175.510 -0.010 0.000 1.083 1123 N CA 0.990 54.037 53.050 -0.005 0.000 0.703 1123 N CB -1.053 37.427 38.487 -0.012 0.000 1.005 1123 N HN 0.573 nan 8.380 nan 0.000 0.550 1124 A N -1.290 121.528 122.820 -0.004 0.000 2.312 1124 A HA 0.382 4.608 4.320 -0.156 0.000 0.215 1124 A C 0.794 178.374 177.584 -0.007 0.000 1.256 1124 A CA 0.835 52.869 52.037 -0.004 0.000 0.966 1124 A CB 0.809 19.811 19.000 0.003 0.000 1.053 1124 A HN 0.387 nan 8.150 nan 0.000 0.510 1125 V N -2.526 117.384 119.914 -0.007 0.000 3.113 1125 V HA 0.647 4.673 4.120 -0.156 0.000 0.316 1125 V C -0.234 175.854 176.094 -0.011 0.000 1.125 1125 V CA -1.306 60.987 62.300 -0.011 0.000 1.026 1125 V CB 1.318 33.132 31.823 -0.015 0.000 1.080 1125 V HN 0.174 nan 8.190 nan 0.000 0.444 1126 I N 3.998 124.559 120.570 -0.015 0.000 2.587 1126 I HA 0.248 4.324 4.170 -0.156 0.000 0.284 1126 I C -1.913 174.201 176.117 -0.005 0.000 1.134 1126 I CA -1.217 60.078 61.300 -0.008 0.000 1.410 1126 I CB 0.982 38.973 38.000 -0.015 0.000 1.392 1126 I HN 0.580 nan 8.210 nan 0.000 0.545 1127 P HA 0.107 nan 4.420 nan 0.000 0.271 1127 P C -0.786 176.519 177.300 0.008 0.000 1.216 1127 P CA -0.093 63.021 63.100 0.023 0.000 0.776 1127 P CB 1.097 32.840 31.700 0.073 0.000 0.881 1128 S N 1.642 117.337 115.700 -0.009 0.000 2.588 1128 S HA 0.649 5.025 4.470 -0.156 0.000 0.269 1128 S C -1.119 173.501 174.600 0.033 0.000 1.157 1128 S CA -0.841 57.351 58.200 -0.013 0.000 0.824 1128 S CB 1.005 64.148 63.200 -0.094 0.000 1.126 1128 S HN 0.527 nan 8.310 nan 0.000 0.464 1129 Y N 0.828 121.090 120.300 -0.065 0.000 2.496 1129 Y HA 0.880 5.207 4.550 -0.371 0.000 0.331 1129 Y C -0.447 175.456 175.900 0.005 0.000 1.140 1129 Y CA -0.751 57.332 58.100 -0.028 0.000 1.166 1129 Y CB 1.155 39.603 38.460 -0.020 0.000 1.249 1129 Y HN 0.870 nan 8.280 nan 0.000 0.479 1130 N N 1.293 119.983 118.700 -0.017 0.000 2.455 1130 N HA 0.684 5.330 4.740 -0.156 0.000 0.278 1130 N C -1.831 173.742 175.510 0.106 0.000 1.291 1130 N CA -0.861 52.097 53.050 -0.153 0.000 0.780 1130 N CB 2.089 40.463 38.487 -0.188 0.000 1.520 1130 N HN 0.766 nan 8.380 nan 0.000 0.486 1131 F N -1.507 118.370 119.950 -0.122 0.000 2.719 1131 F HA 0.490 5.067 4.527 0.083 0.000 0.309 1131 F C -0.645 175.073 175.800 -0.135 0.000 1.138 1131 F CA -0.940 57.010 58.000 -0.085 0.000 0.943 1131 F CB 0.398 39.417 39.000 0.031 0.000 1.304 1131 F HN 0.115 nan 8.300 nan 0.000 0.445 1132 V N 0.330 120.205 119.914 -0.066 0.000 2.795 1132 V HA 0.355 4.381 4.120 -0.156 0.000 0.243 1132 V C 0.709 176.861 176.094 0.097 0.000 1.069 1132 V CA 0.682 62.904 62.300 -0.130 0.000 1.089 1132 V CB -0.189 31.454 31.823 -0.300 0.000 0.756 1132 V HN 0.710 nan 8.190 nan 0.000 0.471 1133 R N -0.937 119.720 120.500 0.262 0.000 2.808 1133 R HA 0.799 5.045 4.340 -0.156 0.000 0.272 1133 R C -1.032 175.230 176.300 -0.063 0.000 0.995 1133 R CA -0.046 56.131 56.100 0.129 0.000 0.917 1133 R CB 2.468 32.799 30.300 0.052 0.000 1.217 1133 R HN 0.291 nan 8.270 nan 0.000 0.471 1134 A N 0.055 122.635 122.820 -0.400 0.000 2.564 1134 A HA 0.327 4.553 4.320 -0.156 0.000 0.288 1134 A C 0.667 177.774 177.584 -0.796 0.000 1.164 1134 A CA -0.691 50.954 52.037 -0.652 0.000 0.712 1134 A CB 0.756 19.496 19.000 -0.433 0.000 1.303 1134 A HN 1.026 nan 8.150 nan 0.000 0.418 1135 H N 0.108 118.926 119.070 -0.421 0.000 2.426 1135 H HA -0.152 4.285 4.556 -0.197 0.000 0.298 1135 H C 0.055 175.402 175.328 0.032 0.000 1.107 1135 H CA 1.890 57.879 56.048 -0.099 0.000 1.298 1135 H CB -0.081 29.591 29.762 -0.150 0.000 1.377 1135 H HN 0.621 nan 8.280 nan 0.000 0.519 1136 D N -0.069 119.906 120.400 -0.708 0.000 2.571 1136 D HA 0.160 4.707 4.640 -0.156 0.000 0.239 1136 D C -0.253 175.966 176.300 -0.136 0.000 1.267 1136 D CA -0.454 53.363 54.000 -0.305 0.000 0.823 1136 D CB 0.015 40.629 40.800 -0.310 0.000 1.056 1136 D HN 0.169 nan 8.370 nan 0.000 0.494 1137 S N 0.576 116.214 115.700 -0.102 0.000 2.733 1137 S HA 0.317 4.693 4.470 -0.156 0.000 0.307 1137 S C -0.085 174.539 174.600 0.040 0.000 1.127 1137 S CA -0.482 57.746 58.200 0.048 0.000 1.097 1137 S CB -0.239 63.167 63.200 0.343 0.000 1.003 1137 S HN 0.159 nan 8.310 nan 0.000 0.477 1138 N N 2.066 120.801 118.700 0.057 0.000 2.725 1138 N HA -0.206 4.440 4.740 -0.156 0.000 0.249 1138 N C 0.348 175.931 175.510 0.121 0.000 1.103 1138 N CA 1.083 54.191 53.050 0.097 0.000 0.707 1138 N CB -1.301 37.252 38.487 0.110 0.000 1.043 1138 N HN 0.707 nan 8.380 nan 0.000 0.553 1139 A N 0.154 123.030 122.820 0.092 0.000 1.876 1139 A HA 0.032 4.258 4.320 -0.156 0.000 0.193 1139 A C 1.776 179.427 177.584 0.112 0.000 1.883 1139 A CA 0.774 52.890 52.037 0.133 0.000 1.052 1139 A CB -0.257 18.834 19.000 0.152 0.000 1.049 1139 A HN 0.327 nan 8.150 nan 0.000 0.615 1140 Q N 0.003 119.922 119.800 0.198 0.000 2.124 1140 Q HA -0.206 4.040 4.340 -0.156 0.000 0.202 1140 Q C 0.775 176.872 176.000 0.161 0.000 0.977 1140 Q CA 1.913 57.898 55.803 0.303 0.000 0.850 1140 Q CB -0.445 28.458 28.738 0.275 0.000 0.901 1140 Q HN 0.476 nan 8.270 nan 0.000 0.429 1141 D N 1.117 121.605 120.400 0.147 0.000 2.084 1141 D HA -0.135 4.412 4.640 -0.156 0.000 0.196 1141 D C 1.985 178.375 176.300 0.150 0.000 0.985 1141 D CA 1.438 55.562 54.000 0.207 0.000 0.826 1141 D CB -0.187 40.729 40.800 0.193 0.000 0.978 1141 D HN 0.335 nan 8.370 nan 0.000 0.456 1142 Q N 0.148 120.013 119.800 0.108 0.000 2.119 1142 Q HA 0.022 4.268 4.340 -0.156 0.000 0.201 1142 Q C 2.326 178.215 176.000 -0.185 0.000 0.972 1142 Q CA 0.601 56.467 55.803 0.106 0.000 0.847 1142 Q CB -0.052 28.868 28.738 0.304 0.000 0.903 1142 Q HN 0.346 nan 8.270 nan 0.000 0.433 1143 I N 0.032 120.355 120.570 -0.411 0.000 2.315 1143 I HA -0.261 3.816 4.170 -0.156 0.000 0.248 1143 I C 2.126 177.819 176.117 -0.707 0.000 1.117 1143 I CA 1.039 61.810 61.300 -0.882 0.000 1.404 1143 I CB -0.164 36.997 38.000 -1.398 0.000 1.071 1143 I HN 0.155 nan 8.210 nan 0.000 0.419 1144 R N 0.419 120.644 120.500 -0.457 0.000 2.096 1144 R HA -0.187 4.059 4.340 -0.156 0.000 0.235 1144 R C 2.284 178.380 176.300 -0.339 0.000 1.127 1144 R CA 1.267 57.097 56.100 -0.450 0.000 0.968 1144 R CB -0.268 29.693 30.300 -0.566 0.000 0.861 1144 R HN 0.482 nan 8.270 nan 0.000 0.440 1145 Q N -0.034 119.659 119.800 -0.179 0.000 2.084 1145 Q HA -0.122 4.124 4.340 -0.156 0.000 0.202 1145 Q C 2.193 177.837 176.000 -0.593 0.000 0.978 1145 Q CA 1.671 57.389 55.803 -0.141 0.000 0.844 1145 Q CB -0.127 28.607 28.738 -0.006 0.000 0.898 1145 Q HN 0.365 nan 8.270 nan 0.000 0.426 1146 A N 0.678 122.822 122.820 -1.127 0.000 1.930 1146 A HA -0.154 4.072 4.320 -0.156 0.000 0.217 1146 A C 2.018 179.204 177.584 -0.664 0.000 1.175 1146 A CA 1.071 52.240 52.037 -1.446 0.000 0.627 1146 A CB -0.555 17.709 19.000 -1.226 0.000 0.815 1146 A HN 0.306 nan 8.150 nan 0.000 0.443 1147 I N -0.683 119.573 120.570 -0.523 0.000 2.252 1147 I HA -0.291 3.785 4.170 -0.156 0.000 0.245 1147 I C 2.786 178.783 176.117 -0.200 0.000 1.102 1147 I CA 1.726 62.810 61.300 -0.359 0.000 1.385 1147 I CB -0.376 37.337 38.000 -0.480 0.000 1.064 1147 I HN 0.521 nan 8.210 nan 0.000 0.414 1148 Q N 1.269 120.971 119.800 -0.164 0.000 2.061 1148 Q HA -0.247 4.000 4.340 -0.156 0.000 0.204 1148 Q C 2.343 178.345 176.000 0.005 0.000 0.984 1148 Q CA 2.083 57.871 55.803 -0.025 0.000 0.846 1148 Q CB -0.111 28.670 28.738 0.073 0.000 0.902 1148 Q HN 0.542 nan 8.270 nan 0.000 0.421 1149 A N 0.628 123.442 122.820 -0.010 0.000 1.902 1149 A HA -0.098 4.128 4.320 -0.156 0.000 0.217 1149 A C 2.220 179.846 177.584 0.069 0.000 1.181 1149 A CA 1.731 53.825 52.037 0.096 0.000 0.623 1149 A CB -0.848 18.318 19.000 0.277 0.000 0.818 1149 A HN 0.558 nan 8.150 nan 0.000 0.443 1150 A N -0.970 121.849 122.820 -0.002 0.000 2.016 1150 A HA 0.064 4.290 4.320 -0.156 0.000 0.217 1150 A C 2.217 179.810 177.584 0.016 0.000 1.162 1150 A CA 2.157 54.203 52.037 0.015 0.000 0.662 1150 A CB -0.642 18.344 19.000 -0.024 0.000 0.812 1150 A HN 0.770 nan 8.150 nan 0.000 0.450 1151 T N -6.236 108.321 114.554 0.006 0.000 2.971 1151 T HA 0.414 4.670 4.350 -0.156 0.000 0.252 1151 T C 1.483 176.203 174.700 0.034 0.000 1.022 1151 T CA 1.123 63.234 62.100 0.019 0.000 0.980 1151 T CB 0.272 69.150 68.868 0.017 0.000 1.044 1151 T HN 1.605 nan 8.240 nan 0.000 0.501 1152 G N 1.972 110.796 108.800 0.040 0.000 2.189 1152 G HA2 -0.274 3.592 3.960 -0.156 0.000 0.267 1152 G HA3 -0.274 3.592 3.960 -0.156 0.000 0.267 1152 G C 0.090 175.023 174.900 0.055 0.000 0.975 1152 G CA 0.503 45.634 45.100 0.051 0.000 0.644 1152 G HN 0.687 nan 8.290 nan 0.000 0.537 1153 K N 0.844 121.277 120.400 0.055 0.000 2.138 1153 K HA 0.411 4.637 4.320 -0.156 0.000 0.251 1153 K C -2.177 174.469 176.600 0.078 0.000 1.015 1153 K CA -1.534 54.791 56.287 0.064 0.000 0.917 1153 K CB 0.441 32.983 32.500 0.071 0.000 1.021 1153 K HN 0.047 nan 8.250 nan 0.000 0.485 1154 P HA -0.073 nan 4.420 nan 0.000 0.272 1154 P C -0.908 176.476 177.300 0.140 0.000 1.230 1154 P CA -0.096 63.067 63.100 0.105 0.000 0.788 1154 P CB 0.198 31.950 31.700 0.087 0.000 0.949 1155 Y N 1.677 121.998 120.300 0.035 0.000 2.805 1155 Y HA 0.204 4.658 4.550 -0.160 0.000 0.331 1155 Y C 1.643 177.585 175.900 0.070 0.000 1.241 1155 Y CA 1.982 60.106 58.100 0.040 0.000 1.546 1155 Y CB -0.529 37.938 38.460 0.012 0.000 1.248 1155 Y HN 0.796 nan 8.280 nan 0.000 0.559 1156 G N 3.853 112.451 108.800 -0.336 0.000 2.176 1156 G HA2 -0.263 3.603 3.960 -0.156 0.000 0.253 1156 G HA3 -0.263 3.603 3.960 -0.156 0.000 0.253 1156 G C -0.120 174.781 174.900 0.002 0.000 0.979 1156 G CA 0.134 45.133 45.100 -0.168 0.000 0.641 1156 G HN 0.616 nan 8.290 nan 0.000 0.530 1157 E N -0.219 120.022 120.200 0.070 0.000 2.133 1157 E HA 0.646 4.902 4.350 -0.156 0.000 0.274 1157 E C -0.373 176.318 176.600 0.151 0.000 0.930 1157 E CA -0.693 55.703 56.400 -0.007 0.000 0.770 1157 E CB 0.950 30.660 29.700 0.015 0.000 1.104 1157 E HN 0.667 nan 8.360 nan 0.000 0.403 1158 F N 0.448 120.381 119.950 -0.029 0.000 2.725 1158 F HA 0.347 4.778 4.527 -0.160 0.000 0.311 1158 F C -0.966 174.827 175.800 -0.011 0.000 1.121 1158 F CA -1.472 56.515 58.000 -0.022 0.000 0.978 1158 F CB 0.430 39.413 39.000 -0.028 0.000 1.274 1158 F HN 0.286 nan 8.300 nan 0.000 0.440 1159 N N 1.675 120.476 118.700 0.168 0.000 2.538 1159 N HA 0.404 5.051 4.740 -0.156 0.000 0.292 1159 N C 0.449 176.070 175.510 0.184 0.000 1.262 1159 N CA -0.719 52.391 53.050 0.100 0.000 0.976 1159 N CB 0.371 38.882 38.487 0.040 0.000 1.161 1159 N HN 0.809 nan 8.380 nan 0.000 0.598 1160 L N -0.330 120.941 121.223 0.081 0.000 2.046 1160 L HA -0.068 4.179 4.340 -0.156 0.000 0.208 1160 L C 1.108 177.957 176.870 -0.035 0.000 1.077 1160 L CA 1.880 56.727 54.840 0.012 0.000 0.747 1160 L CB -1.012 41.013 42.059 -0.056 0.000 0.896 1160 L HN 0.534 nan 8.230 nan 0.000 0.432 1161 D N -0.235 120.161 120.400 -0.007 0.000 2.097 1161 D HA -0.186 4.360 4.640 -0.156 0.000 0.195 1161 D C 1.731 178.035 176.300 0.006 0.000 0.989 1161 D CA 1.480 55.476 54.000 -0.008 0.000 0.827 1161 D CB -0.195 40.608 40.800 0.006 0.000 0.966 1161 D HN 0.407 nan 8.370 nan 0.000 0.456 1162 D N 0.755 121.181 120.400 0.043 0.000 2.116 1162 D HA -0.179 4.367 4.640 -0.156 0.000 0.193 1162 D C 1.905 178.186 176.300 -0.032 0.000 0.998 1162 D CA 0.827 54.851 54.000 0.040 0.000 0.836 1162 D CB -0.317 40.559 40.800 0.126 0.000 0.951 1162 D HN 0.425 nan 8.370 nan 0.000 0.449 1163 E N 0.877 121.065 120.200 -0.019 0.000 2.077 1163 E HA -0.192 4.064 4.350 -0.156 0.000 0.193 1163 E C 1.847 178.413 176.600 -0.057 0.000 0.989 1163 E CA 1.008 57.328 56.400 -0.133 0.000 0.800 1163 E CB 0.160 29.874 29.700 0.023 0.000 0.746 1163 E HN 0.166 nan 8.360 nan 0.000 0.452 1164 K N 0.461 120.844 120.400 -0.027 0.000 2.057 1164 K HA -0.179 4.048 4.320 -0.156 0.000 0.207 1164 K C 2.306 178.924 176.600 0.029 0.000 1.049 1164 K CA 1.415 57.729 56.287 0.045 0.000 0.931 1164 K CB -0.111 32.391 32.500 0.003 0.000 0.714 1164 K HN -0.004 nan 8.250 nan 0.000 0.440 1165 K N 0.881 121.277 120.400 -0.006 0.000 2.057 1165 K HA -0.069 4.157 4.320 -0.156 0.000 0.206 1165 K C 1.133 177.710 176.600 -0.038 0.000 1.050 1165 K CA 1.025 57.306 56.287 -0.009 0.000 0.935 1165 K CB -0.283 32.213 32.500 -0.008 0.000 0.715 1165 K HN 0.180 nan 8.250 nan 0.000 0.439 1169 A N 0.608 123.475 122.820 0.077 0.000 1.933 1169 A HA -0.130 4.096 4.320 -0.156 0.000 0.218 1169 A C 1.870 179.627 177.584 0.287 0.000 1.175 1169 A CA 1.627 53.766 52.037 0.170 0.000 0.628 1169 A CB -0.760 18.332 19.000 0.153 0.000 0.814 1169 A HN 0.522 nan 8.150 nan 0.000 0.444 1170 Y N 0.382 120.705 120.300 0.038 0.000 2.220 1170 Y HA -0.130 4.325 4.550 -0.158 0.000 0.291 1170 Y C 1.974 177.931 175.900 0.095 0.000 1.129 1170 Y CA 1.331 59.482 58.100 0.085 0.000 1.161 1170 Y CB -0.029 38.361 38.460 -0.118 0.000 0.997 1170 Y HN 0.222 nan 8.280 nan 0.000 0.522 1171 I N 0.687 121.301 120.570 0.073 0.000 2.202 1171 I HA -0.284 3.792 4.170 -0.156 0.000 0.242 1171 I C 1.838 177.905 176.117 -0.084 0.000 1.091 1171 I CA 1.191 62.460 61.300 -0.051 0.000 1.368 1171 I CB -1.537 36.453 38.000 -0.018 0.000 1.058 1171 I HN 0.314 nan 8.210 nan 0.000 0.410 1172 N N 1.097 119.783 118.700 -0.023 0.000 2.094 1172 N HA -0.245 4.402 4.740 -0.156 0.000 0.191 1172 N C 1.640 177.115 175.510 -0.059 0.000 1.023 1172 N CA 1.777 54.808 53.050 -0.032 0.000 0.857 1172 N CB -0.551 37.942 38.487 0.010 0.000 1.013 1172 N HN 0.447 nan 8.380 nan 0.000 0.426 1173 D N 0.402 120.788 120.400 -0.022 0.000 2.117 1173 D HA -0.161 4.385 4.640 -0.156 0.000 0.197 1173 D C 1.914 178.101 176.300 -0.188 0.000 0.987 1173 D CA 0.980 54.921 54.000 -0.097 0.000 0.829 1173 D CB -0.027 40.790 40.800 0.028 0.000 0.961 1173 D HN 0.294 nan 8.370 nan 0.000 0.460 1174 Q N -0.385 119.271 119.800 -0.240 0.000 2.124 1174 Q HA -0.137 4.109 4.340 -0.156 0.000 0.202 1174 Q C 0.994 176.857 176.000 -0.228 0.000 0.977 1174 Q CA 1.148 56.790 55.803 -0.268 0.000 0.850 1174 Q CB 0.042 28.587 28.738 -0.322 0.000 0.901 1174 Q HN 0.250 nan 8.270 nan 0.000 0.429 1175 N N 0.141 118.718 118.700 -0.205 0.000 2.449 1175 N HA 0.044 4.690 4.740 -0.156 0.000 0.191 1175 N C -0.562 174.861 175.510 -0.144 0.000 1.161 1175 N CA 0.173 53.109 53.050 -0.190 0.000 0.863 1175 N CB 0.555 38.941 38.487 -0.168 0.000 0.980 1175 N HN 0.018 nan 8.380 nan 0.000 0.458 1176 S N -0.841 114.773 115.700 -0.143 0.000 2.654 1176 S HA 0.249 4.625 4.470 -0.156 0.000 0.283 1176 S C 1.315 175.853 174.600 -0.104 0.000 1.180 1176 S CA -0.572 57.559 58.200 -0.114 0.000 1.021 1176 S CB 1.988 65.116 63.200 -0.120 0.000 1.018 1176 S HN 0.101 nan 8.310 nan 0.000 0.532 1177 T N 1.995 116.519 114.554 -0.050 0.000 2.812 1177 T HA -0.001 4.256 4.350 -0.156 0.000 0.264 1177 T C 0.411 175.149 174.700 0.063 0.000 1.042 1177 T CA 1.012 63.117 62.100 0.009 0.000 1.140 1177 T CB -0.199 68.689 68.868 0.033 0.000 0.870 1177 T HN 0.426 nan 8.240 nan 0.000 0.445 1178 N N 2.746 121.462 118.700 0.027 0.000 2.462 1178 N HA 0.279 4.925 4.740 -0.156 0.000 0.242 1178 N C -0.759 174.713 175.510 -0.063 0.000 1.010 1178 N CA -0.038 53.059 53.050 0.078 0.000 0.939 1178 N CB 1.086 39.594 38.487 0.036 0.000 1.127 1178 N HN 0.417 nan 8.380 nan 0.000 0.509 1179 K N 1.462 121.779 120.400 -0.139 0.000 2.182 1179 K HA 0.349 4.575 4.320 -0.156 0.000 0.262 1179 K C 0.633 177.104 176.600 -0.215 0.000 0.957 1179 K CA -0.602 55.481 56.287 -0.340 0.000 0.842 1179 K CB 2.256 34.351 32.500 -0.675 0.000 1.099 1179 K HN 0.276 nan 8.250 nan 0.000 0.438 1180 K N 0.754 120.921 120.400 -0.388 0.000 2.335 1180 K HA 0.101 4.327 4.320 -0.156 0.000 0.195 1180 K C 0.511 176.906 176.600 -0.343 0.000 1.058 1180 K CA 0.435 56.418 56.287 -0.506 0.000 0.988 1180 K CB 0.544 32.386 32.500 -1.096 0.000 0.880 1180 K HN 0.620 nan 8.250 nan 0.000 0.513 1181 W N 0.801 122.104 121.300 0.004 0.000 2.555 1181 W HA 0.299 4.864 4.660 -0.158 0.000 0.324 1181 W C 0.006 176.553 176.519 0.046 0.000 0.973 1181 W CA -0.443 56.944 57.345 0.071 0.000 1.481 1181 W CB 0.119 29.671 29.460 0.154 0.000 1.064 1181 W HN -0.112 nan 8.180 nan 0.000 0.543 1182 N N 1.072 119.810 118.700 0.063 0.000 2.335 1182 N HA 0.402 5.048 4.740 -0.156 0.000 0.304 1182 N C -0.489 174.979 175.510 -0.070 0.000 1.135 1182 N CA -0.497 52.530 53.050 -0.038 0.000 0.817 1182 N CB 2.504 40.861 38.487 -0.216 0.000 1.294 1182 N HN -0.332 nan 8.380 nan 0.000 0.497 1183 L N 1.699 122.929 121.223 0.011 0.000 2.452 1183 L HA 0.211 4.457 4.340 -0.156 0.000 0.267 1183 L C -0.020 176.817 176.870 -0.054 0.000 1.188 1183 L CA -0.139 54.726 54.840 0.041 0.000 0.821 1183 L CB 0.077 42.184 42.059 0.080 0.000 1.102 1183 L HN 0.402 nan 8.230 nan 0.000 0.470 1184 Y N 1.176 121.482 120.300 0.009 0.000 2.326 1184 Y HA 0.207 4.662 4.550 -0.158 0.000 0.324 1184 Y C 0.818 176.702 175.900 -0.026 0.000 1.291 1184 Y CA -0.315 57.785 58.100 0.000 0.000 1.348 1184 Y CB 0.633 39.093 38.460 -0.001 0.000 1.294 1184 Y HN 0.679 nan 8.280 nan 0.000 0.525 1188 S N 0.192 115.844 115.700 -0.080 0.000 2.368 1188 S HA 0.013 4.390 4.470 -0.156 0.000 0.224 1188 S C 1.891 176.458 174.600 -0.055 0.000 1.029 1188 S CA 1.355 59.513 58.200 -0.069 0.000 0.988 1188 S CB -0.521 62.644 63.200 -0.058 0.000 0.838 1188 S HN 0.411 nan 8.310 nan 0.000 0.462 1189 A N 0.499 123.291 122.820 -0.047 0.000 1.883 1189 A HA -0.119 4.108 4.320 -0.156 0.000 0.217 1189 A C 1.887 179.398 177.584 -0.123 0.000 1.186 1189 A CA 1.491 53.480 52.037 -0.080 0.000 0.624 1189 A CB -0.988 17.965 19.000 -0.077 0.000 0.822 1189 A HN 0.542 nan 8.150 nan 0.000 0.444 1190 Y N 0.469 120.690 120.300 -0.133 0.000 2.352 1190 Y HA -0.118 4.339 4.550 -0.155 0.000 0.292 1190 Y C 2.895 178.730 175.900 -0.109 0.000 1.136 1190 Y CA 1.734 59.762 58.100 -0.120 0.000 1.227 1190 Y CB -0.555 37.810 38.460 -0.157 0.000 0.991 1190 Y HN 0.294 nan 8.280 nan 0.000 0.545 1191 T N 0.212 114.768 114.554 0.003 0.000 2.777 1191 T HA -0.135 4.122 4.350 -0.156 0.000 0.266 1191 T C 1.923 176.590 174.700 -0.055 0.000 1.040 1191 T CA 1.224 63.300 62.100 -0.040 0.000 1.141 1191 T CB -0.200 68.626 68.868 -0.071 0.000 0.868 1191 T HN 0.125 nan 8.240 nan 0.000 0.444 1192 I N 1.064 121.591 120.570 -0.072 0.000 2.202 1192 I HA -0.065 4.011 4.170 -0.156 0.000 0.242 1192 I C 2.361 178.421 176.117 -0.096 0.000 1.091 1192 I CA 0.973 62.224 61.300 -0.082 0.000 1.368 1192 I CB -1.257 36.690 38.000 -0.090 0.000 1.058 1192 I HN 0.232 nan 8.210 nan 0.000 0.410 1193 L N 0.936 122.076 121.223 -0.138 0.000 2.043 1193 L HA -0.175 4.072 4.340 -0.156 0.000 0.212 1193 L C 2.083 178.906 176.870 -0.079 0.000 1.075 1193 L CA 2.013 56.760 54.840 -0.155 0.000 0.752 1193 L CB -0.484 41.394 42.059 -0.301 0.000 0.891 1193 L HN 0.164 nan 8.230 nan 0.000 0.432 1194 L N -1.461 119.734 121.223 -0.046 0.000 2.607 1194 L HA 0.100 4.346 4.340 -0.156 0.000 0.228 1194 L C 1.665 178.531 176.870 -0.007 0.000 1.123 1194 L CA 0.763 55.599 54.840 -0.006 0.000 0.890 1194 L CB -0.490 41.582 42.059 0.022 0.000 1.103 1194 L HN 0.442 nan 8.230 nan 0.000 0.468 1195 T N -5.611 108.928 114.554 -0.025 0.000 2.985 1195 T HA 0.154 4.410 4.350 -0.156 0.000 0.254 1195 T C 0.895 175.578 174.700 -0.029 0.000 1.021 1195 T CA -0.426 61.660 62.100 -0.024 0.000 0.957 1195 T CB -0.085 68.761 68.868 -0.036 0.000 1.047 1195 T HN -0.030 nan 8.240 nan 0.000 0.511 1196 N N 3.095 121.773 118.700 -0.037 0.000 2.412 1196 N HA 0.141 4.788 4.740 -0.156 0.000 0.258 1196 N C -0.138 175.360 175.510 -0.019 0.000 1.236 1196 N CA 0.273 53.301 53.050 -0.037 0.000 0.882 1196 N CB 0.878 39.333 38.487 -0.053 0.000 1.066 1196 N HN 0.530 nan 8.380 nan 0.000 0.465 1197 K N 0.926 121.319 120.400 -0.012 0.000 2.138 1197 K HA 0.010 4.236 4.320 -0.156 0.000 0.251 1197 K C -0.481 176.117 176.600 -0.003 0.000 1.015 1197 K CA -0.245 56.045 56.287 0.005 0.000 0.917 1197 K CB 0.532 33.043 32.500 0.019 0.000 1.021 1197 K HN 0.496 nan 8.250 nan 0.000 0.485 1198 D N 0.768 121.172 120.400 0.006 0.000 2.705 1198 D HA -0.162 4.384 4.640 -0.156 0.000 0.240 1198 D C -1.368 174.923 176.300 -0.015 0.000 1.137 1198 D CA 1.065 55.065 54.000 -0.001 0.000 0.677 1198 D CB -0.877 39.920 40.800 -0.005 0.000 1.049 1198 D HN 0.389 nan 8.370 nan 0.000 0.427 1199 S N -0.662 115.033 115.700 -0.007 0.000 2.563 1199 S HA 0.404 4.780 4.470 -0.156 0.000 0.279 1199 S C -0.875 173.732 174.600 0.012 0.000 1.155 1199 S CA -0.699 57.493 58.200 -0.013 0.000 0.928 1199 S CB 1.825 65.004 63.200 -0.034 0.000 1.107 1199 S HN -0.016 nan 8.310 nan 0.000 0.462 1200 V N 6.970 126.903 119.914 0.033 0.000 2.320 1200 V HA 0.431 4.458 4.120 -0.156 0.000 0.265 1200 V C -1.902 174.252 176.094 0.100 0.000 1.048 1200 V CA -1.498 60.836 62.300 0.055 0.000 0.865 1200 V CB 0.729 32.575 31.823 0.038 0.000 1.043 1200 V HN 0.696 nan 8.190 nan 0.000 0.474 1201 P HA 0.286 nan 4.420 nan 0.000 0.274 1201 P C -0.713 176.677 177.300 0.149 0.000 1.231 1201 P CA -0.609 62.544 63.100 0.090 0.000 0.790 1201 P CB 1.310 33.040 31.700 0.049 0.000 0.951 1202 R N 1.793 122.417 120.500 0.207 0.000 2.480 1202 R HA 0.481 4.727 4.340 -0.156 0.000 0.306 1202 R C -1.278 175.185 176.300 0.271 0.000 0.958 1202 R CA -0.779 55.461 56.100 0.234 0.000 0.861 1202 R CB 1.307 31.767 30.300 0.265 0.000 1.171 1202 R HN 0.226 nan 8.270 nan 0.000 0.445 1203 V N 4.894 125.001 119.914 0.322 0.000 2.481 1203 V HA 0.227 4.253 4.120 -0.156 0.000 0.286 1203 V C -0.706 175.688 176.094 0.501 0.000 1.042 1203 V CA -0.627 61.944 62.300 0.452 0.000 0.928 1203 V CB 1.183 33.217 31.823 0.351 0.000 0.986 1203 V HN 0.626 nan 8.190 nan 0.000 0.462 1204 Y N 4.216 124.740 120.300 0.373 0.000 2.328 1204 Y HA 0.271 4.736 4.550 -0.142 0.000 0.337 1204 Y C 0.756 176.833 175.900 0.294 0.000 1.008 1204 Y CA -1.441 56.809 58.100 0.251 0.000 1.129 1204 Y CB 0.772 39.381 38.460 0.248 0.000 1.185 1204 Y HN 0.697 nan 8.280 nan 0.000 0.476 1205 Y N 4.486 124.521 120.300 -0.443 0.000 2.096 1205 Y HA -0.246 4.207 4.550 -0.162 0.000 0.278 1205 Y C 1.992 177.648 175.900 -0.407 0.000 1.192 1205 Y CA 2.481 60.398 58.100 -0.305 0.000 1.143 1205 Y CB -0.437 37.791 38.460 -0.387 0.000 0.963 1205 Y HN 0.802 nan 8.280 nan 0.000 0.505 1206 G N -0.879 107.229 108.800 -1.154 0.000 2.679 1206 G HA2 -0.145 3.721 3.960 -0.156 0.000 0.212 1206 G HA3 -0.145 3.721 3.960 -0.156 0.000 0.212 1206 G C 0.967 175.801 174.900 -0.111 0.000 1.137 1206 G CA 0.823 45.616 45.100 -0.512 0.000 0.787 1206 G HN 0.459 nan 8.290 nan 0.000 0.534 1207 D N -0.171 120.181 120.400 -0.080 0.000 2.350 1207 D HA 0.130 4.676 4.640 -0.156 0.000 0.213 1207 D C 2.258 178.447 176.300 -0.185 0.000 1.031 1207 D CA 0.072 54.063 54.000 -0.016 0.000 0.861 1207 D CB 0.605 41.388 40.800 -0.027 0.000 0.926 1207 D HN 0.329 nan 8.370 nan 0.000 0.520 1208 L N -1.093 119.950 121.223 -0.300 0.000 2.362 1208 L HA 0.116 4.362 4.340 -0.156 0.000 0.204 1208 L C 0.015 176.498 176.870 -0.646 0.000 1.060 1208 L CA 0.441 55.009 54.840 -0.454 0.000 0.827 1208 L CB 0.283 42.020 42.059 -0.536 0.000 1.027 1208 L HN -0.108 nan 8.230 nan 0.000 0.474 1209 Y N -0.347 119.741 120.300 -0.353 0.000 2.524 1209 Y HA 0.366 4.820 4.550 -0.161 0.000 0.344 1209 Y C 0.044 175.719 175.900 -0.374 0.000 1.012 1209 Y CA -1.167 56.673 58.100 -0.432 0.000 1.068 1209 Y CB 0.980 38.994 38.460 -0.744 0.000 1.249 1209 Y HN -0.081 nan 8.280 nan 0.000 0.468 1210 Q N 2.132 121.923 119.800 -0.016 0.000 2.330 1210 Q HA -0.039 4.207 4.340 -0.156 0.000 0.279 1210 Q C 0.374 176.419 176.000 0.075 0.000 1.024 1210 Q CA 0.041 55.868 55.803 0.041 0.000 0.900 1210 Q CB 0.765 29.553 28.738 0.083 0.000 1.221 1210 Q HN 0.758 nan 8.270 nan 0.000 0.396 1211 D N 2.183 122.672 120.400 0.148 0.000 2.092 1211 D HA -0.111 4.435 4.640 -0.156 0.000 0.193 1211 D C 0.562 177.004 176.300 0.237 0.000 0.994 1211 D CA 1.197 55.347 54.000 0.249 0.000 0.828 1211 D CB 0.131 41.054 40.800 0.204 0.000 0.963 1211 D HN 0.658 nan 8.370 nan 0.000 0.450 1212 G N -0.902 107.950 108.800 0.087 0.000 2.372 1212 G HA2 0.495 4.361 3.960 -0.156 0.000 0.283 1212 G HA3 0.495 4.361 3.960 -0.156 0.000 0.283 1212 G C -0.008 174.664 174.900 -0.379 0.000 1.177 1212 G CA 0.333 45.369 45.100 -0.108 0.000 0.842 1212 G HN 0.423 nan 8.290 nan 0.000 0.503 1213 G N 0.563 108.665 108.800 -1.163 0.000 2.353 1213 G HA2 0.314 4.180 3.960 -0.156 0.000 0.308 1213 G HA3 0.314 4.180 3.960 -0.156 0.000 0.308 1213 G C -0.703 173.918 174.900 -0.466 0.000 1.418 1213 G CA -0.986 43.730 45.100 -0.640 0.000 0.966 1213 G HN 0.672 nan 8.290 nan 0.000 0.638 1214 Q N -0.836 118.930 119.800 -0.056 0.000 2.540 1214 Q HA 0.214 4.460 4.340 -0.156 0.000 0.256 1214 Q C 0.279 176.336 176.000 0.094 0.000 1.084 1214 Q CA -0.111 55.736 55.803 0.074 0.000 0.956 1214 Q CB 0.441 29.239 28.738 0.099 0.000 1.303 1214 Q HN 0.612 nan 8.270 nan 0.000 0.509 1218 H N 0.862 119.946 119.070 0.023 0.000 2.717 1218 H HA 0.437 4.899 4.556 -0.158 0.000 0.366 1218 H C -0.858 174.483 175.328 0.022 0.000 1.132 1218 H CA -0.576 55.475 56.048 0.006 0.000 1.180 1218 H CB 1.822 31.578 29.762 -0.010 0.000 1.678 1218 H HN -0.057 nan 8.280 nan 0.000 0.537 1219 K N 1.218 121.638 120.400 0.033 0.000 2.118 1219 K HA 0.240 4.466 4.320 -0.156 0.000 0.264 1219 K C 0.597 177.120 176.600 -0.129 0.000 1.000 1219 K CA -0.529 55.659 56.287 -0.165 0.000 0.929 1219 K CB 0.972 33.246 32.500 -0.377 0.000 1.021 1219 K HN 0.639 nan 8.250 nan 0.000 0.463 1220 T N -1.660 112.792 114.554 -0.171 0.000 2.788 1220 T HA 0.090 4.346 4.350 -0.156 0.000 0.287 1220 T C 1.180 175.731 174.700 -0.249 0.000 1.007 1220 T CA -0.639 61.347 62.100 -0.190 0.000 1.005 1220 T CB 0.842 69.621 68.868 -0.149 0.000 1.012 1220 T HN 0.755 nan 8.240 nan 0.000 0.530 1221 R N -0.279 119.970 120.500 -0.419 0.000 2.303 1221 R HA -0.098 4.148 4.340 -0.156 0.000 0.225 1221 R C 0.647 176.676 176.300 -0.451 0.000 1.114 1221 R CA 1.324 57.141 56.100 -0.472 0.000 1.007 1221 R CB -0.705 29.230 30.300 -0.607 0.000 0.861 1221 R HN 0.722 nan 8.270 nan 0.000 0.471 1222 Y N -0.886 119.309 120.300 -0.175 0.000 2.457 1222 Y HA 0.163 4.620 4.550 -0.155 0.000 0.263 1222 Y C 1.518 177.238 175.900 -0.300 0.000 1.164 1222 Y CA -1.259 56.695 58.100 -0.244 0.000 1.274 1222 Y CB -0.294 37.991 38.460 -0.291 0.000 1.097 1222 Y HN 0.002 nan 8.280 nan 0.000 0.523 1223 F N 1.605 121.389 119.950 -0.277 0.000 2.095 1223 F HA -0.247 4.185 4.527 -0.158 0.000 0.298 1223 F C 1.747 177.345 175.800 -0.337 0.000 1.104 1223 F CA 1.959 59.726 58.000 -0.388 0.000 1.232 1223 F CB -0.034 38.713 39.000 -0.421 0.000 0.987 1223 F HN -0.036 nan 8.300 nan 0.000 0.475 1224 D N -0.351 119.993 120.400 -0.093 0.000 2.117 1224 D HA -0.144 4.402 4.640 -0.156 0.000 0.197 1224 D C 2.317 178.448 176.300 -0.283 0.000 0.987 1224 D CA 1.971 55.869 54.000 -0.170 0.000 0.829 1224 D CB -0.786 39.974 40.800 -0.067 0.000 0.961 1224 D HN 0.300 nan 8.370 nan 0.000 0.460 1225 T N 1.405 115.815 114.554 -0.241 0.000 2.622 1225 T HA -0.110 4.146 4.350 -0.156 0.000 0.266 1225 T C 2.263 176.779 174.700 -0.307 0.000 1.047 1225 T CA 0.857 62.816 62.100 -0.236 0.000 1.159 1225 T CB -0.300 68.472 68.868 -0.159 0.000 0.863 1225 T HN 0.151 nan 8.240 nan 0.000 0.422 1226 I N 1.662 121.985 120.570 -0.411 0.000 2.252 1226 I HA -0.170 3.907 4.170 -0.156 0.000 0.245 1226 I C 2.949 178.721 176.117 -0.576 0.000 1.102 1226 I CA 1.606 62.602 61.300 -0.507 0.000 1.385 1226 I CB -0.884 36.689 38.000 -0.712 0.000 1.064 1226 I HN 0.416 nan 8.210 nan 0.000 0.414 1227 T N -1.464 112.606 114.554 -0.807 0.000 2.867 1227 T HA -0.149 4.107 4.350 -0.156 0.000 0.268 1227 T C 1.702 176.152 174.700 -0.417 0.000 1.057 1227 T CA 1.444 63.032 62.100 -0.853 0.000 1.136 1227 T CB -0.521 67.623 68.868 -1.208 0.000 0.874 1227 T HN 0.236 nan 8.240 nan 0.000 0.466 1228 N N 1.615 120.121 118.700 -0.323 0.000 2.084 1228 N HA 0.005 4.652 4.740 -0.156 0.000 0.190 1228 N C 1.829 177.260 175.510 -0.132 0.000 1.030 1228 N CA 1.273 54.217 53.050 -0.177 0.000 0.849 1228 N CB -0.723 37.663 38.487 -0.169 0.000 1.012 1228 N HN 0.455 nan 8.380 nan 0.000 0.423 1229 L N 0.137 121.261 121.223 -0.166 0.000 2.013 1229 L HA -0.208 4.038 4.340 -0.156 0.000 0.212 1229 L C 2.391 179.221 176.870 -0.067 0.000 1.073 1229 L CA 1.070 55.846 54.840 -0.107 0.000 0.753 1229 L CB -0.539 41.455 42.059 -0.108 0.000 0.890 1229 L HN 0.241 nan 8.230 nan 0.000 0.432 1230 L N -0.518 120.633 121.223 -0.120 0.000 1.994 1230 L HA -0.249 3.997 4.340 -0.156 0.000 0.208 1230 L C 2.692 179.577 176.870 0.025 0.000 1.071 1230 L CA 1.545 56.352 54.840 -0.054 0.000 0.745 1230 L CB -0.470 41.510 42.059 -0.132 0.000 0.892 1230 L HN 0.196 nan 8.230 nan 0.000 0.431 1231 K N -0.808 119.606 120.400 0.024 0.000 2.097 1231 K HA -0.127 4.099 4.320 -0.156 0.000 0.206 1231 K C 2.049 178.701 176.600 0.086 0.000 1.049 1231 K CA 1.756 58.086 56.287 0.072 0.000 0.933 1231 K CB -0.342 32.202 32.500 0.073 0.000 0.717 1231 K HN 0.297 nan 8.250 nan 0.000 0.442 1232 T N 0.973 115.587 114.554 0.100 0.000 2.788 1232 T HA -0.154 4.102 4.350 -0.156 0.000 0.268 1232 T C 1.817 176.645 174.700 0.213 0.000 1.044 1232 T CA 1.125 63.354 62.100 0.214 0.000 1.139 1232 T CB -0.101 68.832 68.868 0.109 0.000 0.867 1232 T HN 0.283 nan 8.240 nan 0.000 0.454 1233 R N 0.657 121.222 120.500 0.108 0.000 2.073 1233 R HA -0.080 4.166 4.340 -0.156 0.000 0.234 1233 R C 2.349 178.701 176.300 0.087 0.000 1.134 1233 R CA 1.239 57.394 56.100 0.091 0.000 0.952 1233 R CB -0.598 29.737 30.300 0.057 0.000 0.850 1233 R HN 0.221 nan 8.270 nan 0.000 0.433 1234 V N 1.543 121.499 119.914 0.069 0.000 2.282 1234 V HA -0.306 3.720 4.120 -0.156 0.000 0.249 1234 V C 2.458 178.553 176.094 0.003 0.000 1.057 1234 V CA 2.365 64.690 62.300 0.042 0.000 1.032 1234 V CB -0.495 31.352 31.823 0.040 0.000 0.645 1234 V HN 0.419 nan 8.190 nan 0.000 0.447 1235 K N -1.762 118.620 120.400 -0.030 0.000 2.116 1235 K HA -0.097 4.130 4.320 -0.156 0.000 0.203 1235 K C 1.783 178.178 176.600 -0.341 0.000 1.052 1235 K CA 1.516 57.660 56.287 -0.239 0.000 0.952 1235 K CB 0.014 32.281 32.500 -0.387 0.000 0.729 1235 K HN 0.575 nan 8.250 nan 0.000 0.446 1236 Y N -1.205 119.110 120.300 0.025 0.000 2.452 1236 Y HA 0.237 4.693 4.550 -0.158 0.000 0.262 1236 Y C -0.091 175.831 175.900 0.037 0.000 1.089 1236 Y CA -0.618 57.500 58.100 0.030 0.000 1.262 1236 Y CB 1.130 39.603 38.460 0.022 0.000 1.236 1236 Y HN -0.293 nan 8.280 nan 0.000 0.512 1237 V N 1.946 121.968 119.914 0.179 0.000 2.385 1237 V HA 0.732 4.759 4.120 -0.156 0.000 0.269 1237 V C 0.068 176.217 176.094 0.092 0.000 1.043 1237 V CA -0.076 62.294 62.300 0.117 0.000 0.906 1237 V CB 0.088 31.960 31.823 0.082 0.000 0.995 1237 V HN 0.267 nan 8.190 nan 0.000 0.467 1238 A N 4.089 126.966 122.820 0.096 0.000 2.515 1238 A HA 0.891 5.117 4.320 -0.156 0.000 0.292 1238 A C 0.034 177.692 177.584 0.123 0.000 1.065 1238 A CA 0.075 52.170 52.037 0.096 0.000 0.641 1238 A CB 0.698 19.756 19.000 0.096 0.000 1.306 1238 A HN 2.189 nan 8.150 nan 0.000 0.441 1239 G N -1.107 107.772 108.800 0.131 0.000 2.698 1239 G HA2 0.418 4.284 3.960 -0.156 0.000 0.233 1239 G HA3 0.418 4.284 3.960 -0.156 0.000 0.233 1239 G C 0.876 175.898 174.900 0.203 0.000 1.352 1239 G CA 0.301 45.511 45.100 0.184 0.000 0.879 1239 G HN 2.448 nan 8.290 nan 0.000 0.567 1240 G N -0.926 108.078 108.800 0.340 0.000 2.667 1240 G HA2 0.549 4.415 3.960 -0.156 0.000 0.250 1240 G HA3 0.549 4.415 3.960 -0.156 0.000 0.250 1240 G C 0.090 175.150 174.900 0.266 0.000 1.212 1240 G CA 0.999 46.316 45.100 0.362 0.000 0.874 1240 G HN 1.037 nan 8.290 nan 0.000 0.561 1241 Q N -1.433 118.468 119.800 0.169 0.000 2.397 1241 Q HA 0.612 4.859 4.340 -0.156 0.000 0.275 1241 Q C -0.376 175.652 176.000 0.047 0.000 1.090 1241 Q CA -0.816 54.978 55.803 -0.014 0.000 0.809 1241 Q CB 2.071 30.802 28.738 -0.012 0.000 1.362 1241 Q HN 0.730 nan 8.270 nan 0.000 0.431 1245 V N 2.655 122.583 119.914 0.023 0.000 2.448 1245 V HA 0.560 4.586 4.120 -0.156 0.000 0.295 1245 V C -0.411 175.696 176.094 0.023 0.000 1.025 1245 V CA -0.444 61.868 62.300 0.019 0.000 0.859 1245 V CB 1.431 33.262 31.823 0.013 0.000 0.988 1245 V HN 1.088 nan 8.190 nan 0.000 0.431 1246 D N 4.697 125.110 120.400 0.023 0.000 2.451 1246 D HA 0.216 4.762 4.640 -0.156 0.000 0.259 1246 D C 0.910 177.220 176.300 0.017 0.000 1.201 1246 D CA -0.652 53.362 54.000 0.024 0.000 1.028 1246 D CB 0.744 41.558 40.800 0.024 0.000 1.095 1246 D HN 0.116 nan 8.370 nan 0.000 0.539 1247 K N -0.424 119.986 120.400 0.017 0.000 2.211 1247 K HA -0.073 4.153 4.320 -0.156 0.000 0.204 1247 K C 0.790 177.394 176.600 0.008 0.000 1.047 1247 K CA 0.731 57.025 56.287 0.012 0.000 0.935 1247 K CB -0.412 32.096 32.500 0.012 0.000 0.728 1247 K HN 0.436 nan 8.250 nan 0.000 0.452 1248 N N -0.008 118.696 118.700 0.007 0.000 2.322 1248 N HA 0.007 4.653 4.740 -0.156 0.000 0.194 1248 N C 0.743 176.256 175.510 0.005 0.000 1.126 1248 N CA 0.782 53.834 53.050 0.003 0.000 0.845 1248 N CB 0.773 39.259 38.487 -0.002 0.000 0.976 1248 N HN 0.331 nan 8.380 nan 0.000 0.475 1249 G N 1.143 109.948 108.800 0.008 0.000 2.143 1249 G HA2 -0.277 3.589 3.960 -0.156 0.000 0.248 1249 G HA3 -0.277 3.589 3.960 -0.156 0.000 0.248 1249 G C 0.017 174.926 174.900 0.016 0.000 0.991 1249 G CA -0.137 44.969 45.100 0.010 0.000 0.689 1249 G HN 0.340 nan 8.290 nan 0.000 0.522 1250 I N 0.403 120.984 120.570 0.018 0.000 2.365 1250 I HA 0.461 4.537 4.170 -0.156 0.000 0.291 1250 I C 0.473 176.605 176.117 0.025 0.000 1.004 1250 I CA -1.031 60.285 61.300 0.028 0.000 1.311 1250 I CB 1.428 39.444 38.000 0.027 0.000 1.401 1250 I HN 0.111 nan 8.210 nan 0.000 0.491 1251 L N 7.392 128.631 121.223 0.027 0.000 2.276 1251 L HA 0.421 4.667 4.340 -0.156 0.000 0.286 1251 L C 0.201 177.078 176.870 0.012 0.000 1.061 1251 L CA 0.330 55.179 54.840 0.015 0.000 0.807 1251 L CB 1.129 43.192 42.059 0.006 0.000 1.177 1251 L HN 0.690 nan 8.230 nan 0.000 0.429 1252 T N 1.697 116.254 114.554 0.005 0.000 2.771 1252 T HA 0.530 4.786 4.350 -0.156 0.000 0.281 1252 T C -0.350 174.339 174.700 -0.019 0.000 0.982 1252 T CA -0.753 61.342 62.100 -0.009 0.000 0.978 1252 T CB 0.955 69.811 68.868 -0.020 0.000 0.930 1252 T HN 0.615 nan 8.240 nan 0.000 0.447 1253 N N 2.208 120.885 118.700 -0.037 0.000 2.346 1253 N HA 0.558 5.204 4.740 -0.156 0.000 0.289 1253 N C -1.562 173.890 175.510 -0.097 0.000 1.027 1253 N CA -0.630 52.385 53.050 -0.059 0.000 0.864 1253 N CB 1.843 40.298 38.487 -0.053 0.000 1.370 1253 N HN 0.572 nan 8.380 nan 0.000 0.481 1254 V N 3.461 123.278 119.914 -0.162 0.000 2.735 1254 V HA 0.646 4.673 4.120 -0.156 0.000 0.310 1254 V C -0.442 175.405 176.094 -0.411 0.000 1.061 1254 V CA -0.859 61.270 62.300 -0.285 0.000 0.913 1254 V CB 1.870 33.470 31.823 -0.372 0.000 1.005 1254 V HN 0.546 nan 8.190 nan 0.000 0.428 1255 R N 2.483 122.766 120.500 -0.361 0.000 2.534 1255 R HA 0.482 4.728 4.340 -0.156 0.000 0.301 1255 R C -0.156 175.976 176.300 -0.280 0.000 0.961 1255 R CA -0.609 55.299 56.100 -0.320 0.000 0.871 1255 R CB 1.407 31.653 30.300 -0.089 0.000 1.170 1255 R HN 0.647 nan 8.270 nan 0.000 0.446 1256 F N 0.529 120.552 119.950 0.122 0.000 2.512 1256 F HA 0.197 4.630 4.527 -0.156 0.000 0.296 1256 F C 1.502 177.469 175.800 0.279 0.000 1.110 1256 F CA 0.913 59.034 58.000 0.202 0.000 1.446 1256 F CB 0.105 39.214 39.000 0.182 0.000 1.092 1256 F HN 0.827 nan 8.300 nan 0.000 0.554 1257 G N 0.717 109.708 108.800 0.317 0.000 2.629 1257 G HA2 -0.194 3.673 3.960 -0.156 0.000 0.686 1257 G HA3 -0.194 3.673 3.960 -0.156 0.000 0.686 1257 G C -0.682 174.345 174.900 0.212 0.000 1.232 1257 G CA -1.062 44.197 45.100 0.265 0.000 0.803 1257 G HN 0.207 nan 8.290 nan 0.000 0.638 1258 K N 0.420 120.909 120.400 0.149 0.000 2.484 1258 K HA 0.431 4.657 4.320 -0.156 0.000 0.280 1258 K C 1.549 178.209 176.600 0.100 0.000 1.013 1258 K CA 1.775 58.128 56.287 0.110 0.000 1.029 1258 K CB -0.050 32.496 32.500 0.078 0.000 0.902 1258 K HN 2.344 nan 8.250 nan 0.000 0.481 1259 G N 1.616 110.468 108.800 0.086 0.000 2.201 1259 G HA2 -0.159 3.707 3.960 -0.156 0.000 0.212 1259 G HA3 -0.159 3.707 3.960 -0.156 0.000 0.212 1259 G C -0.117 174.813 174.900 0.050 0.000 0.994 1259 G CA -0.065 45.069 45.100 0.058 0.000 0.644 1259 G HN 0.921 nan 8.290 nan 0.000 0.508 1263 A N 0.248 122.571 122.820 -0.828 0.000 2.032 1263 A HA -0.177 4.049 4.320 -0.156 0.000 0.221 1263 A C 1.767 179.181 177.584 -0.283 0.000 1.165 1263 A CA 2.661 54.373 52.037 -0.541 0.000 0.645 1263 A CB -0.815 18.170 19.000 -0.024 0.000 0.807 1263 A HN 0.776 nan 8.150 nan 0.000 0.453 1264 T N -2.806 111.614 114.554 -0.223 0.000 3.100 1264 T HA 0.083 4.339 4.350 -0.156 0.000 0.253 1264 T C 0.052 174.672 174.700 -0.133 0.000 1.118 1264 T CA 0.079 62.100 62.100 -0.132 0.000 1.058 1264 T CB -0.269 68.546 68.868 -0.088 0.000 0.953 1264 T HN 0.253 nan 8.240 nan 0.000 0.515 1265 D N 3.157 123.443 120.400 -0.190 0.000 2.424 1265 D HA 0.125 4.671 4.640 -0.156 0.000 0.244 1265 D C 1.543 177.777 176.300 -0.109 0.000 1.134 1265 D CA 0.407 54.325 54.000 -0.136 0.000 0.881 1265 D CB 1.693 42.406 40.800 -0.145 0.000 1.191 1265 D HN 0.419 nan 8.370 nan 0.000 0.445 1266 T N -0.417 114.093 114.554 -0.073 0.000 3.067 1266 T HA 0.281 4.537 4.350 -0.156 0.000 0.261 1266 T C 1.120 175.781 174.700 -0.065 0.000 1.110 1266 T CA 0.346 62.408 62.100 -0.063 0.000 1.113 1266 T CB -0.057 68.785 68.868 -0.043 0.000 0.917 1266 T HN 0.704 nan 8.240 nan 0.000 0.499 1267 G N 1.077 109.846 108.800 -0.052 0.000 2.698 1267 G HA2 0.068 3.934 3.960 -0.156 0.000 0.225 1267 G HA3 0.068 3.934 3.960 -0.156 0.000 0.225 1267 G C -0.117 174.773 174.900 -0.017 0.000 1.345 1267 G CA -0.141 44.940 45.100 -0.031 0.000 0.871 1267 G HN 1.176 nan 8.290 nan 0.000 0.540 1268 T N -3.626 110.927 114.554 -0.002 0.000 2.804 1268 T HA 0.651 4.907 4.350 -0.156 0.000 0.272 1268 T C 0.942 175.645 174.700 0.005 0.000 0.986 1268 T CA 0.704 62.806 62.100 0.003 0.000 0.999 1268 T CB 1.459 70.335 68.868 0.013 0.000 1.307 1268 T HN 0.405 nan 8.240 nan 0.000 0.586 1269 D N 0.812 121.217 120.400 0.008 0.000 2.116 1269 D HA -0.135 4.411 4.640 -0.156 0.000 0.193 1269 D C 1.949 178.258 176.300 0.016 0.000 0.998 1269 D CA 2.012 56.018 54.000 0.009 0.000 0.836 1269 D CB -0.168 40.637 40.800 0.009 0.000 0.951 1269 D HN 0.919 nan 8.370 nan 0.000 0.449 1270 E N -0.305 119.909 120.200 0.023 0.000 2.478 1270 E HA -0.015 4.241 4.350 -0.156 0.000 0.194 1270 E C 1.356 177.991 176.600 0.058 0.000 1.045 1270 E CA 0.622 57.042 56.400 0.032 0.000 0.868 1270 E CB -0.174 29.542 29.700 0.027 0.000 0.885 1270 E HN 0.032 nan 8.360 nan 0.000 0.505 1271 T N 1.163 115.752 114.554 0.058 0.000 2.788 1271 T HA -0.186 4.070 4.350 -0.156 0.000 0.268 1271 T C 1.725 176.510 174.700 0.143 0.000 1.044 1271 T CA 1.458 63.616 62.100 0.097 0.000 1.139 1271 T CB -0.209 68.684 68.868 0.041 0.000 0.867 1271 T HN 0.126 nan 8.240 nan 0.000 0.454 1272 R N 2.006 122.545 120.500 0.064 0.000 2.112 1272 R HA -0.120 4.126 4.340 -0.156 0.000 0.242 1272 R C 2.004 178.435 176.300 0.219 0.000 1.137 1272 R CA 2.347 58.492 56.100 0.075 0.000 0.944 1272 R CB -1.154 29.167 30.300 0.035 0.000 0.857 1272 R HN 0.523 nan 8.270 nan 0.000 0.435 1273 T N -2.308 112.339 114.554 0.154 0.000 3.251 1273 T HA 0.331 4.587 4.350 -0.156 0.000 0.259 1273 T C -0.041 174.792 174.700 0.222 0.000 0.998 1273 T CA -0.483 61.703 62.100 0.143 0.000 0.905 1273 T CB -0.037 68.880 68.868 0.083 0.000 1.067 1273 T HN 0.242 nan 8.240 nan 0.000 0.569 1274 E N 0.276 120.641 120.200 0.274 0.000 2.316 1274 E HA 0.677 4.933 4.350 -0.156 0.000 0.258 1274 E C 0.308 177.077 176.600 0.281 0.000 0.952 1274 E CA -0.857 55.721 56.400 0.296 0.000 0.818 1274 E CB 1.725 31.548 29.700 0.205 0.000 1.260 1274 E HN 0.450 nan 8.360 nan 0.000 0.416 1275 G N 0.126 109.068 108.800 0.236 0.000 2.655 1275 G HA2 -0.092 3.775 3.960 -0.156 0.000 0.680 1275 G HA3 -0.092 3.775 3.960 -0.156 0.000 0.680 1275 G C -1.176 173.765 174.900 0.068 0.000 1.302 1275 G CA -0.405 44.770 45.100 0.125 0.000 0.872 1275 G HN 0.551 nan 8.290 nan 0.000 0.540 1276 I N -0.406 120.166 120.570 0.002 0.000 2.908 1276 I HA 0.688 4.764 4.170 -0.156 0.000 0.300 1276 I C 0.120 176.218 176.117 -0.031 0.000 1.385 1276 I CA -0.278 61.020 61.300 -0.003 0.000 1.004 1276 I CB 2.198 40.186 38.000 -0.019 0.000 1.309 1276 I HN 1.511 nan 8.210 nan 0.000 0.449 1277 G N 5.269 114.084 108.800 0.025 0.000 2.643 1277 G HA2 0.657 4.523 3.960 -0.156 0.000 0.305 1277 G HA3 0.657 4.523 3.960 -0.156 0.000 0.305 1277 G C -1.939 172.999 174.900 0.062 0.000 1.387 1277 G CA -0.390 44.715 45.100 0.008 0.000 0.982 1277 G HN 0.398 nan 8.290 nan 0.000 0.501 1278 V N 2.026 121.945 119.914 0.009 0.000 2.588 1278 V HA 0.567 4.593 4.120 -0.156 0.000 0.304 1278 V C -0.483 175.611 176.094 0.000 0.000 1.042 1278 V CA -0.709 61.589 62.300 -0.004 0.000 0.877 1278 V CB 2.057 33.855 31.823 -0.042 0.000 0.996 1278 V HN 0.593 nan 8.190 nan 0.000 0.425 1279 V N 6.247 126.164 119.914 0.005 0.000 2.444 1279 V HA 0.574 4.600 4.120 -0.156 0.000 0.294 1279 V C -0.412 175.709 176.094 0.044 0.000 1.022 1279 V CA -0.340 61.983 62.300 0.038 0.000 0.850 1279 V CB 1.643 33.513 31.823 0.079 0.000 0.992 1279 V HN 0.686 nan 8.190 nan 0.000 0.426 1280 I N 3.468 124.069 120.570 0.051 0.000 2.545 1280 I HA 0.603 4.679 4.170 -0.156 0.000 0.292 1280 I C -0.146 176.026 176.117 0.092 0.000 1.040 1280 I CA -0.154 61.175 61.300 0.048 0.000 1.068 1280 I CB 2.312 40.309 38.000 -0.004 0.000 1.251 1280 I HN 0.637 nan 8.210 nan 0.000 0.424 1281 S N 3.212 118.991 115.700 0.131 0.000 2.568 1281 S HA 0.439 4.816 4.470 -0.156 0.000 0.293 1281 S C -0.176 174.472 174.600 0.081 0.000 1.089 1281 S CA -0.700 57.564 58.200 0.107 0.000 0.945 1281 S CB 1.211 64.496 63.200 0.142 0.000 1.077 1281 S HN 0.722 nan 8.310 nan 0.000 0.485 1282 N N 2.192 120.921 118.700 0.048 0.000 2.234 1282 N HA 0.153 4.799 4.740 -0.156 0.000 0.227 1282 N C -0.668 174.855 175.510 0.023 0.000 1.151 1282 N CA -0.376 52.693 53.050 0.031 0.000 0.865 1282 N CB -0.193 38.298 38.487 0.006 0.000 1.066 1282 N HN 0.371 nan 8.380 nan 0.000 0.515 1283 N N 0.844 119.566 118.700 0.037 0.000 2.501 1283 N HA 0.094 4.740 4.740 -0.156 0.000 0.245 1283 N C 0.775 176.304 175.510 0.031 0.000 0.974 1283 N CA -0.128 52.933 53.050 0.019 0.000 0.941 1283 N CB 1.152 39.645 38.487 0.010 0.000 1.122 1283 N HN 0.225 nan 8.380 nan 0.000 0.507 1284 T N 0.331 114.899 114.554 0.023 0.000 3.007 1284 T HA -0.056 4.200 4.350 -0.156 0.000 0.270 1284 T C 0.631 175.331 174.700 -0.000 0.000 1.107 1284 T CA 1.055 63.175 62.100 0.034 0.000 1.118 1284 T CB -0.298 68.587 68.868 0.029 0.000 0.889 1284 T HN 0.536 nan 8.240 nan 0.000 0.506 1285 N N 0.505 119.197 118.700 -0.014 0.000 2.251 1285 N HA 0.321 4.967 4.740 -0.156 0.000 0.217 1285 N C -0.404 175.080 175.510 -0.042 0.000 1.124 1285 N CA -0.463 52.567 53.050 -0.033 0.000 0.843 1285 N CB 0.153 38.624 38.487 -0.027 0.000 1.024 1285 N HN 0.223 nan 8.380 nan 0.000 0.501 1286 L N 1.804 123.005 121.223 -0.036 0.000 2.640 1286 L HA -0.023 4.224 4.340 -0.156 0.000 0.280 1286 L C -0.288 176.535 176.870 -0.079 0.000 1.229 1286 L CA 1.022 55.834 54.840 -0.046 0.000 0.919 1286 L CB 0.090 42.129 42.059 -0.032 0.000 1.168 1286 L HN 0.012 nan 8.230 nan 0.000 0.496 1287 K N 6.047 126.408 120.400 -0.065 0.000 2.637 1287 K HA 0.397 4.623 4.320 -0.156 0.000 0.248 1287 K C -1.267 175.302 176.600 -0.053 0.000 0.971 1287 K CA -0.613 55.633 56.287 -0.068 0.000 0.858 1287 K CB 1.257 33.723 32.500 -0.056 0.000 1.170 1287 K HN 0.537 nan 8.250 nan 0.000 0.443 1288 L N 2.974 124.162 121.223 -0.058 0.000 2.349 1288 L HA 0.216 4.462 4.340 -0.156 0.000 0.275 1288 L C 0.438 177.290 176.870 -0.030 0.000 1.115 1288 L CA -0.697 54.120 54.840 -0.039 0.000 0.820 1288 L CB 0.356 42.393 42.059 -0.037 0.000 1.135 1288 L HN 0.494 nan 8.230 nan 0.000 0.445 1289 N N 1.714 120.401 118.700 -0.021 0.000 2.453 1289 N HA 0.009 4.655 4.740 -0.156 0.000 0.253 1289 N C -0.514 174.988 175.510 -0.014 0.000 1.252 1289 N CA -0.285 52.755 53.050 -0.017 0.000 0.917 1289 N CB 0.349 38.828 38.487 -0.013 0.000 1.117 1289 N HN 0.424 nan 8.380 nan 0.000 0.442 1290 D N 0.260 120.652 120.400 -0.014 0.000 2.533 1290 D HA 0.169 4.715 4.640 -0.156 0.000 0.236 1290 D C 1.443 177.736 176.300 -0.010 0.000 1.137 1290 D CA 1.280 55.273 54.000 -0.012 0.000 0.867 1290 D CB 0.280 41.072 40.800 -0.013 0.000 1.170 1290 D HN 0.706 nan 8.370 nan 0.000 0.474 1291 G N 2.577 111.372 108.800 -0.009 0.000 2.284 1291 G HA2 -0.286 3.580 3.960 -0.156 0.000 0.247 1291 G HA3 -0.286 3.580 3.960 -0.156 0.000 0.247 1291 G C 0.340 175.240 174.900 -0.001 0.000 1.012 1291 G CA 0.004 45.099 45.100 -0.008 0.000 0.618 1291 G HN 0.553 nan 8.290 nan 0.000 0.521 1292 E N 1.253 121.454 120.200 0.002 0.000 2.383 1292 E HA 0.500 4.756 4.350 -0.156 0.000 0.264 1292 E C 0.484 177.095 176.600 0.019 0.000 1.050 1292 E CA 0.576 56.981 56.400 0.009 0.000 0.896 1292 E CB 1.108 30.809 29.700 0.002 0.000 0.982 1292 E HN 0.601 nan 8.360 nan 0.000 0.424 1293 S N 0.271 115.991 115.700 0.033 0.000 2.667 1293 S HA 0.593 4.969 4.470 -0.156 0.000 0.292 1293 S C -0.750 173.878 174.600 0.047 0.000 1.126 1293 S CA -0.941 57.292 58.200 0.054 0.000 0.881 1293 S CB 1.607 64.862 63.200 0.092 0.000 1.132 1293 S HN 0.187 nan 8.310 nan 0.000 0.492 1294 V N 1.695 121.651 119.914 0.069 0.000 2.409 1294 V HA 0.526 4.552 4.120 -0.156 0.000 0.291 1294 V C -0.779 175.318 176.094 0.005 0.000 1.020 1294 V CA -0.615 61.717 62.300 0.053 0.000 0.848 1294 V CB 1.394 33.270 31.823 0.089 0.000 0.990 1294 V HN 0.803 nan 8.190 nan 0.000 0.430 1295 V N 6.512 126.339 119.914 -0.145 0.000 2.370 1295 V HA 0.453 4.479 4.120 -0.156 0.000 0.283 1295 V C -0.107 175.715 176.094 -0.454 0.000 1.023 1295 V CA -0.544 61.507 62.300 -0.417 0.000 0.857 1295 V CB 1.668 33.166 31.823 -0.543 0.000 0.985 1295 V HN 0.637 nan 8.190 nan 0.000 0.443 1296 L N 5.898 126.888 121.223 -0.389 0.000 2.257 1296 L HA 0.481 4.728 4.340 -0.156 0.000 0.290 1296 L C 0.429 177.056 176.870 -0.405 0.000 1.044 1296 L CA -0.420 54.230 54.840 -0.316 0.000 0.810 1296 L CB 0.403 42.364 42.059 -0.164 0.000 1.193 1296 L HN 0.688 nan 8.230 nan 0.000 0.425 1300 A N -0.540 122.317 122.820 0.063 0.000 2.070 1300 A HA 0.354 4.580 4.320 -0.156 0.000 0.220 1300 A C 2.480 180.050 177.584 -0.023 0.000 1.159 1300 A CA 2.623 54.671 52.037 0.017 0.000 0.656 1300 A CB -0.514 18.470 19.000 -0.027 0.000 0.800 1300 A HN 1.907 nan 8.150 nan 0.000 0.453 1301 A N -1.618 121.144 122.820 -0.096 0.000 2.209 1301 A HA 0.005 4.231 4.320 -0.156 0.000 0.212 1301 A C 1.140 178.455 177.584 -0.449 0.000 1.158 1301 A CA 0.766 52.619 52.037 -0.306 0.000 0.742 1301 A CB -0.382 18.347 19.000 -0.451 0.000 0.790 1301 A HN 0.609 nan 8.150 nan 0.000 0.472 1302 H N -0.262 118.901 119.070 0.156 0.000 2.651 1302 H HA 0.203 4.665 4.556 -0.156 0.000 0.241 1302 H C -0.693 174.743 175.328 0.181 0.000 1.225 1302 H CA -0.411 55.762 56.048 0.208 0.000 0.942 1302 H CB 0.017 29.970 29.762 0.320 0.000 1.996 1302 H HN 0.398 nan 8.280 nan 0.000 0.600 1303 K N 1.162 121.668 120.400 0.177 0.000 2.350 1303 K HA 0.061 4.287 4.320 -0.156 0.000 0.279 1303 K C 0.320 177.008 176.600 0.147 0.000 1.027 1303 K CA -0.223 56.148 56.287 0.141 0.000 0.969 1303 K CB 0.727 33.279 32.500 0.087 0.000 0.954 1303 K HN 0.297 nan 8.250 nan 0.000 0.474 1304 N N 1.961 120.748 118.700 0.146 0.000 2.688 1304 N HA -0.267 4.379 4.740 -0.156 0.000 0.258 1304 N C -1.047 174.585 175.510 0.204 0.000 1.016 1304 N CA 0.452 53.594 53.050 0.153 0.000 0.747 1304 N CB -0.715 37.834 38.487 0.103 0.000 0.895 1304 N HN 0.551 nan 8.380 nan 0.000 0.543 1305 Q N 0.654 120.608 119.800 0.258 0.000 2.375 1305 Q HA 0.347 4.593 4.340 -0.156 0.000 0.271 1305 Q C -0.969 175.151 176.000 0.199 0.000 1.074 1305 Q CA -0.977 54.971 55.803 0.241 0.000 0.808 1305 Q CB 1.370 30.282 28.738 0.290 0.000 1.327 1305 Q HN 0.236 nan 8.270 nan 0.000 0.441 1306 K N 2.786 123.181 120.400 -0.009 0.000 2.297 1306 K HA 0.204 4.430 4.320 -0.156 0.000 0.286 1306 K C -1.523 174.935 176.600 -0.237 0.000 1.053 1306 K CA -0.053 56.022 56.287 -0.354 0.000 0.940 1306 K CB 0.464 32.702 32.500 -0.437 0.000 1.019 1306 K HN 0.463 nan 8.250 nan 0.000 0.475 1307 Y N 2.388 122.544 120.300 -0.239 0.000 2.487 1307 Y HA 0.408 4.864 4.550 -0.157 0.000 0.337 1307 Y C -0.069 175.874 175.900 0.071 0.000 1.076 1307 Y CA -0.581 57.493 58.100 -0.043 0.000 1.115 1307 Y CB 1.615 40.071 38.460 -0.008 0.000 1.235 1307 Y HN 0.595 nan 8.280 nan 0.000 0.468 1308 R N 0.776 121.438 120.500 0.270 0.000 2.795 1308 R HA 0.907 5.153 4.340 -0.156 0.000 0.275 1308 R C -1.545 174.807 176.300 0.088 0.000 0.981 1308 R CA -1.041 55.187 56.100 0.214 0.000 0.917 1308 R CB 0.968 31.264 30.300 -0.007 0.000 1.202 1308 R HN 0.622 nan 8.270 nan 0.000 0.469 1309 A N 1.497 124.110 122.820 -0.346 0.000 2.388 1309 A HA 0.451 4.678 4.320 -0.156 0.000 0.257 1309 A C 0.409 177.779 177.584 -0.357 0.000 1.095 1309 A CA -0.637 50.896 52.037 -0.839 0.000 0.791 1309 A CB 0.605 18.930 19.000 -1.125 0.000 1.029 1309 A HN 0.592 nan 8.150 nan 0.000 0.489 1310 V N 2.108 121.823 119.914 -0.331 0.000 2.690 1310 V HA 0.213 4.239 4.120 -0.156 0.000 0.240 1310 V C 0.471 176.503 176.094 -0.103 0.000 1.078 1310 V CA 1.006 63.219 62.300 -0.145 0.000 1.102 1310 V CB -0.294 31.414 31.823 -0.192 0.000 0.800 1310 V HN 0.691 nan 8.190 nan 0.000 0.479 1311 I N 0.549 120.975 120.570 -0.239 0.000 2.607 1311 I HA 0.442 4.519 4.170 -0.156 0.000 0.290 1311 I C -1.462 174.459 176.117 -0.326 0.000 1.129 1311 I CA -0.252 60.897 61.300 -0.252 0.000 1.042 1311 I CB 2.459 40.301 38.000 -0.263 0.000 1.242 1311 I HN 0.026 nan 8.210 nan 0.000 0.421 1312 L N 4.401 125.471 121.223 -0.254 0.000 2.370 1312 L HA 0.561 4.807 4.340 -0.156 0.000 0.266 1312 L C -0.284 176.375 176.870 -0.353 0.000 1.002 1312 L CA -0.681 54.003 54.840 -0.260 0.000 0.818 1312 L CB 2.517 44.539 42.059 -0.062 0.000 1.325 1312 L HN 0.494 nan 8.230 nan 0.000 0.418 1313 T N 0.694 114.988 114.554 -0.434 0.000 2.856 1313 T HA 0.458 4.714 4.350 -0.156 0.000 0.292 1313 T C 0.250 174.485 174.700 -0.774 0.000 0.980 1313 T CA -0.449 61.307 62.100 -0.572 0.000 1.091 1313 T CB 1.218 69.723 68.868 -0.606 0.000 0.936 1313 T HN 0.768 nan 8.240 nan 0.000 0.503 1314 T N 0.010 114.052 114.554 -0.853 0.000 2.883 1314 T HA 0.471 4.727 4.350 -0.156 0.000 0.284 1314 T C 0.990 175.329 174.700 -0.602 0.000 1.041 1314 T CA -0.890 60.670 62.100 -0.900 0.000 1.007 1314 T CB 1.195 69.510 68.868 -0.921 0.000 1.220 1314 T HN 0.321 nan 8.240 nan 0.000 0.552 1315 E N 0.443 120.603 120.200 -0.067 0.000 2.085 1315 E HA -0.078 4.178 4.350 -0.156 0.000 0.194 1315 E C 1.251 177.886 176.600 0.059 0.000 0.994 1315 E CA 1.591 58.118 56.400 0.212 0.000 0.801 1315 E CB -0.087 29.762 29.700 0.247 0.000 0.743 1315 E HN 0.606 nan 8.360 nan 0.000 0.453 1316 D N -1.439 118.933 120.400 -0.047 0.000 2.379 1316 D HA 0.230 4.776 4.640 -0.156 0.000 0.208 1316 D C 0.803 177.038 176.300 -0.109 0.000 1.065 1316 D CA 0.810 54.777 54.000 -0.054 0.000 0.848 1316 D CB 1.211 41.985 40.800 -0.043 0.000 0.949 1316 D HN 0.209 nan 8.370 nan 0.000 0.509 1317 G N -0.082 108.607 108.800 -0.186 0.000 2.565 1317 G HA2 0.413 4.279 3.960 -0.156 0.000 0.142 1317 G HA3 0.413 4.279 3.960 -0.156 0.000 0.142 1317 G C -1.387 173.344 174.900 -0.282 0.000 1.181 1317 G CA 0.109 45.090 45.100 -0.199 0.000 1.066 1317 G HN 0.120 nan 8.290 nan 0.000 0.530 1318 V N -2.362 117.386 119.914 -0.278 0.000 3.102 1318 V HA 0.870 4.896 4.120 -0.156 0.000 0.312 1318 V C -0.995 174.892 176.094 -0.345 0.000 1.135 1318 V CA -1.231 60.873 62.300 -0.327 0.000 1.022 1318 V CB 1.952 33.614 31.823 -0.270 0.000 1.056 1318 V HN 0.663 nan 8.190 nan 0.000 0.436 1319 K N 2.276 122.446 120.400 -0.384 0.000 2.244 1319 K HA 0.509 4.735 4.320 -0.156 0.000 0.260 1319 K C -1.062 175.199 176.600 -0.564 0.000 0.951 1319 K CA -0.635 55.374 56.287 -0.464 0.000 0.826 1319 K CB 1.552 33.785 32.500 -0.445 0.000 1.108 1319 K HN 0.740 nan 8.250 nan 0.000 0.433 1320 N N 2.322 120.661 118.700 -0.602 0.000 2.430 1320 N HA 0.272 4.919 4.740 -0.156 0.000 0.292 1320 N C -1.246 173.791 175.510 -0.787 0.000 1.051 1320 N CA -0.277 52.453 53.050 -0.533 0.000 0.917 1320 N CB 1.072 39.369 38.487 -0.316 0.000 1.164 1320 N HN 0.352 nan 8.380 nan 0.000 0.484 1321 Y N -0.197 120.020 120.300 -0.138 0.000 2.328 1321 Y HA 0.187 4.643 4.550 -0.156 0.000 0.336 1321 Y C 1.616 177.469 175.900 -0.079 0.000 0.960 1321 Y CA -0.773 57.267 58.100 -0.100 0.000 1.134 1321 Y CB 1.520 39.913 38.460 -0.111 0.000 1.166 1321 Y HN 0.494 nan 8.280 nan 0.000 0.464 1322 T N -1.874 112.714 114.554 0.056 0.000 3.065 1322 T HA 0.156 4.412 4.350 -0.156 0.000 0.252 1322 T C 0.275 175.023 174.700 0.079 0.000 1.099 1322 T CA 0.536 62.659 62.100 0.039 0.000 1.063 1322 T CB -0.308 68.568 68.868 0.014 0.000 0.948 1322 T HN 0.673 nan 8.240 nan 0.000 0.506 1323 N N -0.240 118.519 118.700 0.098 0.000 3.439 1323 N HA 0.313 4.959 4.740 -0.156 0.000 0.313 1323 N C -0.551 175.012 175.510 0.088 0.000 1.598 1323 N CA -0.624 52.486 53.050 0.101 0.000 0.830 1323 N CB 0.106 38.640 38.487 0.079 0.000 1.849 1323 N HN -0.261 nan 8.380 nan 0.000 0.598 1324 D N -0.509 119.932 120.400 0.069 0.000 2.219 1324 D HA -0.011 4.535 4.640 -0.156 0.000 0.205 1324 D C -0.096 176.218 176.300 0.024 0.000 0.970 1324 D CA 1.213 55.233 54.000 0.033 0.000 0.851 1324 D CB -0.599 40.220 40.800 0.032 0.000 0.943 1324 D HN 0.561 nan 8.370 nan 0.000 0.488 1325 T N 1.930 116.514 114.554 0.050 0.000 2.829 1325 T HA 0.001 4.257 4.350 -0.156 0.000 0.293 1325 T C 0.214 174.957 174.700 0.071 0.000 0.970 1325 T CA 0.094 62.225 62.100 0.053 0.000 1.168 1325 T CB 0.577 69.479 68.868 0.057 0.000 0.911 1325 T HN 0.084 nan 8.240 nan 0.000 0.535 1326 D N -0.151 120.275 120.400 0.045 0.000 3.046 1326 D HA -0.162 4.384 4.640 -0.156 0.000 0.210 1326 D C 0.357 176.627 176.300 -0.050 0.000 1.124 1326 D CA 1.267 55.300 54.000 0.054 0.000 0.986 1326 D CB -1.336 39.539 40.800 0.125 0.000 1.118 1326 D HN 0.795 nan 8.370 nan 0.000 0.416 1327 A N 0.598 123.300 122.820 -0.196 0.000 2.320 1327 A HA 0.541 4.767 4.320 -0.156 0.000 0.287 1327 A C -2.085 175.258 177.584 -0.401 0.000 1.181 1327 A CA -0.952 50.681 52.037 -0.673 0.000 0.831 1327 A CB 0.574 19.275 19.000 -0.498 0.000 1.102 1327 A HN -0.156 nan 8.150 nan 0.000 0.513 1328 P HA 0.199 nan 4.420 nan 0.000 0.266 1328 P C -0.172 177.205 177.300 0.128 0.000 1.193 1328 P CA 0.178 63.238 63.100 -0.067 0.000 0.770 1328 P CB 0.587 32.294 31.700 0.011 0.000 0.836 1329 V N -0.674 119.359 119.914 0.198 0.000 3.046 1329 V HA 0.981 5.007 4.120 -0.156 0.000 0.316 1329 V C -0.780 175.383 176.094 0.115 0.000 1.104 1329 V CA -1.211 61.191 62.300 0.170 0.000 1.006 1329 V CB 1.764 33.574 31.823 -0.022 0.000 1.058 1329 V HN 0.677 nan 8.190 nan 0.000 0.440 1330 A N 1.809 124.572 122.820 -0.095 0.000 2.574 1330 A HA 0.851 5.077 4.320 -0.156 0.000 0.297 1330 A C -1.862 175.578 177.584 -0.240 0.000 1.062 1330 A CA -0.601 51.315 52.037 -0.202 0.000 0.686 1330 A CB 1.520 20.159 19.000 -0.601 0.000 1.285 1330 A HN 1.009 nan 8.150 nan 0.000 0.403 1331 Y N 0.788 121.023 120.300 -0.108 0.000 2.393 1331 Y HA 0.529 4.985 4.550 -0.156 0.000 0.341 1331 Y C 1.240 177.098 175.900 -0.070 0.000 0.988 1331 Y CA -0.137 57.954 58.100 -0.016 0.000 1.078 1331 Y CB 2.292 40.747 38.460 -0.008 0.000 1.203 1331 Y HN 0.814 nan 8.280 nan 0.000 0.453 1332 T N -1.335 113.295 114.554 0.126 0.000 2.828 1332 T HA 0.244 4.500 4.350 -0.156 0.000 0.290 1332 T C -0.115 174.648 174.700 0.105 0.000 1.019 1332 T CA -0.915 61.215 62.100 0.049 0.000 1.031 1332 T CB 0.893 69.808 68.868 0.078 0.000 1.001 1332 T HN 0.623 nan 8.240 nan 0.000 0.531 1333 D N 0.348 120.804 120.400 0.093 0.000 2.507 1333 D HA 0.417 4.963 4.640 -0.156 0.000 0.280 1333 D C 1.558 177.907 176.300 0.083 0.000 1.219 1333 D CA -0.428 53.620 54.000 0.081 0.000 1.085 1333 D CB -0.030 40.820 40.800 0.082 0.000 1.134 1333 D HN 0.593 nan 8.370 nan 0.000 0.583 1334 A N -0.701 122.155 122.820 0.060 0.000 2.125 1334 A HA -0.193 4.033 4.320 -0.156 0.000 0.219 1334 A C 1.793 179.416 177.584 0.065 0.000 1.156 1334 A CA 1.637 53.708 52.037 0.055 0.000 0.671 1334 A CB -1.029 17.992 19.000 0.033 0.000 0.794 1334 A HN 0.573 nan 8.150 nan 0.000 0.459 1335 N N -1.279 117.470 118.700 0.082 0.000 2.353 1335 N HA 0.176 4.822 4.740 -0.156 0.000 0.185 1335 N C 1.017 176.594 175.510 0.112 0.000 1.098 1335 N CA 1.168 54.272 53.050 0.090 0.000 0.872 1335 N CB 0.160 38.709 38.487 0.104 0.000 0.970 1335 N HN 0.528 nan 8.380 nan 0.000 0.467 1336 G N -0.031 108.841 108.800 0.119 0.000 2.143 1336 G HA2 -0.220 3.646 3.960 -0.156 0.000 0.249 1336 G HA3 -0.220 3.646 3.960 -0.156 0.000 0.249 1336 G C -0.772 174.174 174.900 0.077 0.000 0.981 1336 G CA 0.135 45.322 45.100 0.144 0.000 0.665 1336 G HN 0.377 nan 8.290 nan 0.000 0.528 1337 D N 0.205 120.634 120.400 0.049 0.000 2.264 1337 D HA 0.518 5.064 4.640 -0.156 0.000 0.250 1337 D C 0.602 176.766 176.300 -0.227 0.000 1.113 1337 D CA -0.093 53.843 54.000 -0.106 0.000 0.871 1337 D CB 1.417 42.169 40.800 -0.080 0.000 1.167 1337 D HN 0.210 nan 8.370 nan 0.000 0.447 1338 L N 3.074 124.044 121.223 -0.423 0.000 2.282 1338 L HA 0.252 4.498 4.340 -0.156 0.000 0.288 1338 L C 0.039 176.476 176.870 -0.721 0.000 1.033 1338 L CA -0.571 53.952 54.840 -0.529 0.000 0.807 1338 L CB 0.888 42.603 42.059 -0.572 0.000 1.209 1338 L HN 0.284 nan 8.230 nan 0.000 0.423 1339 H N 4.491 123.156 119.070 -0.674 0.000 2.466 1339 H HA 0.425 4.888 4.556 -0.156 0.000 0.338 1339 H C -1.158 173.649 175.328 -0.869 0.000 1.091 1339 H CA -0.327 55.395 56.048 -0.543 0.000 1.207 1339 H CB 1.648 31.227 29.762 -0.304 0.000 1.466 1339 H HN 0.317 nan 8.280 nan 0.000 0.493 1340 F N 0.614 120.532 119.950 -0.054 0.000 2.577 1340 F HA 0.407 4.841 4.527 -0.155 0.000 0.318 1340 F C 0.740 176.527 175.800 -0.021 0.000 1.065 1340 F CA -0.638 57.337 58.000 -0.041 0.000 0.929 1340 F CB 2.339 41.315 39.000 -0.040 0.000 1.237 1340 F HN 0.489 nan 8.300 nan 0.000 0.468 1341 T N -2.653 111.994 114.554 0.155 0.000 2.618 1341 T HA 0.246 4.502 4.350 -0.156 0.000 0.286 1341 T C 0.218 174.943 174.700 0.042 0.000 1.027 1341 T CA -0.675 61.465 62.100 0.067 0.000 1.063 1341 T CB 0.982 69.868 68.868 0.030 0.000 1.440 1341 T HN 0.493 nan 8.240 nan 0.000 0.505 1342 N N -0.357 118.348 118.700 0.008 0.000 2.521 1342 N HA 0.134 4.780 4.740 -0.156 0.000 0.188 1342 N C 0.007 175.520 175.510 0.005 0.000 1.146 1342 N CA 0.068 53.110 53.050 -0.012 0.000 0.893 1342 N CB -0.323 38.148 38.487 -0.027 0.000 0.975 1342 N HN 0.583 nan 8.380 nan 0.000 0.451 1343 T N 0.945 115.514 114.554 0.024 0.000 2.855 1343 T HA 0.272 4.528 4.350 -0.156 0.000 0.281 1343 T C -0.189 174.547 174.700 0.059 0.000 1.007 1343 T CA -0.810 61.306 62.100 0.028 0.000 1.009 1343 T CB 1.006 69.881 68.868 0.012 0.000 0.983 1343 T HN 0.057 nan 8.240 nan 0.000 0.455 1344 N N 1.866 120.602 118.700 0.059 0.000 2.374 1344 N HA 0.106 4.752 4.740 -0.156 0.000 0.241 1344 N C -0.394 175.165 175.510 0.082 0.000 1.262 1344 N CA 0.042 53.145 53.050 0.089 0.000 0.880 1344 N CB 0.325 38.847 38.487 0.058 0.000 1.105 1344 N HN 0.481 nan 8.380 nan 0.000 0.438 1345 L N 1.358 122.651 121.223 0.117 0.000 2.276 1345 L HA 0.087 4.333 4.340 -0.156 0.000 0.286 1345 L C 0.724 177.642 176.870 0.080 0.000 1.061 1345 L CA -0.424 54.465 54.840 0.081 0.000 0.807 1345 L CB 0.409 42.518 42.059 0.083 0.000 1.177 1345 L HN 0.535 nan 8.230 nan 0.000 0.429 1346 D N 3.534 123.963 120.400 0.049 0.000 2.720 1346 D HA -0.213 4.333 4.640 -0.156 0.000 0.229 1346 D C 1.200 177.529 176.300 0.049 0.000 1.198 1346 D CA 1.285 55.312 54.000 0.045 0.000 0.639 1346 D CB -0.563 40.275 40.800 0.062 0.000 1.003 1346 D HN 1.015 nan 8.370 nan 0.000 0.411 1347 G N 0.148 108.971 108.800 0.039 0.000 2.166 1347 G HA2 -0.375 3.491 3.960 -0.156 0.000 0.260 1347 G HA3 -0.375 3.491 3.960 -0.156 0.000 0.260 1347 G C 0.202 175.126 174.900 0.040 0.000 0.986 1347 G CA 0.666 45.785 45.100 0.032 0.000 0.683 1347 G HN 0.583 nan 8.290 nan 0.000 0.527 1348 Q N 0.265 120.106 119.800 0.069 0.000 2.314 1348 Q HA 0.426 4.672 4.340 -0.156 0.000 0.257 1348 Q C 0.512 176.556 176.000 0.074 0.000 0.975 1348 Q CA -0.295 55.561 55.803 0.088 0.000 0.933 1348 Q CB 1.015 29.836 28.738 0.138 0.000 1.195 1348 Q HN 0.569 nan 8.270 nan 0.000 0.426 1349 Q N 1.383 121.186 119.800 0.005 0.000 2.386 1349 Q HA -0.108 4.138 4.340 -0.156 0.000 0.282 1349 Q C -0.836 175.151 176.000 -0.021 0.000 1.050 1349 Q CA 0.353 56.054 55.803 -0.170 0.000 0.918 1349 Q CB 0.325 28.836 28.738 -0.378 0.000 1.266 1349 Q HN 0.684 nan 8.270 nan 0.000 0.423 1350 Y N -0.426 119.982 120.300 0.180 0.000 4.272 1350 Y HA -0.277 4.180 4.550 -0.155 0.000 0.232 1350 Y C 0.940 177.006 175.900 0.277 0.000 1.149 1350 Y CA 1.112 59.342 58.100 0.218 0.000 1.961 1350 Y CB -2.658 35.887 38.460 0.142 0.000 1.611 1350 Y HN 0.780 nan 8.280 nan 0.000 0.682 1351 T N -3.660 111.118 114.554 0.374 0.000 3.044 1351 T HA 0.700 4.956 4.350 -0.156 0.000 0.260 1351 T C 0.888 175.832 174.700 0.407 0.000 1.019 1351 T CA 0.235 62.613 62.100 0.465 0.000 0.921 1351 T CB 0.239 69.384 68.868 0.462 0.000 1.053 1351 T HN 0.615 nan 8.240 nan 0.000 0.533 1352 A N 1.375 124.360 122.820 0.276 0.000 2.351 1352 A HA 0.639 4.865 4.320 -0.156 0.000 0.257 1352 A C 0.103 177.714 177.584 0.045 0.000 1.087 1352 A CA -0.498 51.637 52.037 0.163 0.000 0.798 1352 A CB 0.459 19.514 19.000 0.092 0.000 1.033 1352 A HN 0.317 nan 8.150 nan 0.000 0.488 1353 V N 2.964 122.797 119.914 -0.134 0.000 2.385 1353 V HA 0.572 4.598 4.120 -0.156 0.000 0.269 1353 V C 0.266 176.093 176.094 -0.446 0.000 1.043 1353 V CA 0.033 61.986 62.300 -0.578 0.000 0.906 1353 V CB 0.056 31.652 31.823 -0.379 0.000 0.995 1353 V HN 1.133 nan 8.190 nan 0.000 0.467 1354 R N 3.539 123.706 120.500 -0.555 0.000 2.733 1354 R HA 0.745 4.991 4.340 -0.156 0.000 0.272 1354 R C -0.218 175.950 176.300 -0.220 0.000 1.029 1354 R CA -0.537 55.373 56.100 -0.316 0.000 0.888 1354 R CB 0.792 30.927 30.300 -0.274 0.000 1.251 1354 R HN 0.649 nan 8.270 nan 0.000 0.464 1355 G N 0.066 108.749 108.800 -0.194 0.000 2.415 1355 G HA2 0.522 4.388 3.960 -0.156 0.000 0.269 1355 G HA3 0.522 4.388 3.960 -0.156 0.000 0.269 1355 G C -1.331 173.434 174.900 -0.224 0.000 1.209 1355 G CA -0.289 44.775 45.100 -0.059 0.000 0.835 1355 G HN 0.372 nan 8.290 nan 0.000 0.534 1356 Y N -0.367 120.002 120.300 0.114 0.000 2.634 1356 Y HA 0.657 5.113 4.550 -0.157 0.000 0.340 1356 Y C 0.229 176.167 175.900 0.063 0.000 1.058 1356 Y CA -0.780 57.374 58.100 0.091 0.000 1.081 1356 Y CB 2.721 41.244 38.460 0.105 0.000 1.295 1356 Y HN 0.772 nan 8.280 nan 0.000 0.487 1357 A N 2.323 125.287 122.820 0.240 0.000 2.599 1357 A HA 0.646 4.872 4.320 -0.156 0.000 0.281 1357 A C -1.474 176.182 177.584 0.121 0.000 1.137 1357 A CA -0.598 51.528 52.037 0.149 0.000 0.767 1357 A CB 0.126 19.186 19.000 0.099 0.000 1.266 1357 A HN 0.839 nan 8.150 nan 0.000 0.420 1358 N N 1.333 120.091 118.700 0.095 0.000 2.972 1358 N HA 0.681 5.327 4.740 -0.156 0.000 0.262 1358 N C -2.844 172.683 175.510 0.029 0.000 1.478 1358 N CA -1.778 51.298 53.050 0.043 0.000 0.841 1358 N CB 0.836 39.328 38.487 0.008 0.000 1.512 1358 N HN -0.034 nan 8.380 nan 0.000 0.548 1359 P HA -0.034 nan 4.420 nan 0.000 0.225 1359 P C -0.207 177.101 177.300 0.014 0.000 1.148 1359 P CA 1.131 64.209 63.100 -0.037 0.000 0.779 1359 P CB 0.172 31.816 31.700 -0.093 0.000 0.780 1360 D N -1.355 119.056 120.400 0.020 0.000 2.320 1360 D HA 0.045 4.591 4.640 -0.156 0.000 0.228 1360 D C 0.519 176.848 176.300 0.049 0.000 0.978 1360 D CA 0.914 54.962 54.000 0.080 0.000 0.905 1360 D CB 0.133 40.934 40.800 0.002 0.000 1.051 1360 D HN -0.041 nan 8.370 nan 0.000 0.471 1361 V N 1.375 121.297 119.914 0.013 0.000 2.495 1361 V HA 0.373 4.399 4.120 -0.156 0.000 0.298 1361 V C -0.281 175.868 176.094 0.091 0.000 1.031 1361 V CA -0.581 61.732 62.300 0.022 0.000 0.871 1361 V CB 1.833 33.626 31.823 -0.051 0.000 0.988 1361 V HN 0.151 nan 8.190 nan 0.000 0.432 1362 T N 0.944 115.565 114.554 0.112 0.000 2.991 1362 T HA 0.800 5.057 4.350 -0.156 0.000 0.347 1362 T C 0.296 175.054 174.700 0.097 0.000 1.122 1362 T CA 0.122 62.294 62.100 0.120 0.000 1.062 1362 T CB 1.031 69.978 68.868 0.131 0.000 1.043 1362 T HN 1.572 nan 8.240 nan 0.000 0.491 1363 G N 1.716 110.598 108.800 0.137 0.000 2.253 1363 G HA2 0.161 4.027 3.960 -0.156 0.000 0.190 1363 G HA3 0.161 4.027 3.960 -0.156 0.000 0.190 1363 G C -1.877 173.192 174.900 0.282 0.000 1.274 1363 G CA -0.591 44.601 45.100 0.152 0.000 1.275 1363 G HN 0.904 nan 8.290 nan 0.000 0.518 1364 Y N -0.371 119.981 120.300 0.086 0.000 2.479 1364 Y HA 0.751 5.208 4.550 -0.155 0.000 0.338 1364 Y C -1.492 174.425 175.900 0.028 0.000 1.055 1364 Y CA -1.047 57.117 58.100 0.106 0.000 1.023 1364 Y CB 2.049 40.575 38.460 0.110 0.000 1.287 1364 Y HN 1.056 nan 8.280 nan 0.000 0.447 1365 L N 5.091 125.819 121.223 -0.825 0.000 2.438 1365 L HA 0.985 5.231 4.340 -0.156 0.000 0.270 1365 L C -1.679 174.664 176.870 -0.878 0.000 0.972 1365 L CA -0.414 54.038 54.840 -0.647 0.000 0.831 1365 L CB 1.619 43.465 42.059 -0.354 0.000 1.273 1365 L HN 0.752 nan 8.230 nan 0.000 0.405 1366 A N 4.261 126.754 122.820 -0.546 0.000 2.486 1366 A HA 0.901 5.127 4.320 -0.156 0.000 0.300 1366 A C -1.784 175.632 177.584 -0.280 0.000 1.048 1366 A CA -0.553 51.246 52.037 -0.397 0.000 0.696 1366 A CB 2.026 20.940 19.000 -0.143 0.000 1.278 1366 A HN 0.541 nan 8.150 nan 0.000 0.405 1367 V N 0.861 120.505 119.914 -0.451 0.000 2.638 1367 V HA 0.619 4.645 4.120 -0.156 0.000 0.306 1367 V C -1.408 174.388 176.094 -0.497 0.000 1.052 1367 V CA -0.335 61.779 62.300 -0.311 0.000 0.885 1367 V CB 1.525 33.206 31.823 -0.237 0.000 0.999 1367 V HN 0.917 nan 8.190 nan 0.000 0.424 1368 W N 3.555 124.809 121.300 -0.076 0.000 2.883 1368 W HA 0.805 5.371 4.660 -0.156 0.000 0.335 1368 W C -0.500 176.014 176.519 -0.008 0.000 1.083 1368 W CA -0.866 56.475 57.345 -0.007 0.000 1.233 1368 W CB 2.177 31.678 29.460 0.068 0.000 1.412 1368 W HN 0.558 nan 8.180 nan 0.000 0.490 1369 V N 0.115 120.105 119.914 0.127 0.000 3.040 1369 V HA 0.737 4.764 4.120 -0.156 0.000 0.312 1369 V C -2.855 173.066 176.094 -0.288 0.000 1.115 1369 V CA -3.586 58.605 62.300 -0.182 0.000 0.998 1369 V CB 1.820 33.055 31.823 -0.981 0.000 1.042 1369 V HN 0.253 nan 8.190 nan 0.000 0.433 1370 P HA 0.306 nan 4.420 nan 0.000 0.265 1370 P C -0.180 176.971 177.300 -0.248 0.000 1.193 1370 P CA 0.610 63.295 63.100 -0.691 0.000 0.765 1370 P CB 0.457 31.951 31.700 -0.343 0.000 0.823 1371 A N 3.060 125.743 122.820 -0.229 0.000 2.332 1371 A HA 0.529 4.756 4.320 -0.156 0.000 0.258 1371 A C 1.350 178.920 177.584 -0.023 0.000 1.087 1371 A CA 0.343 52.333 52.037 -0.079 0.000 0.802 1371 A CB -0.842 18.103 19.000 -0.092 0.000 1.042 1371 A HN 0.825 nan 8.150 nan 0.000 0.489 1372 G N -0.905 107.909 108.800 0.023 0.000 2.136 1372 G HA2 0.182 4.048 3.960 -0.156 0.000 0.242 1372 G HA3 0.182 4.048 3.960 -0.156 0.000 0.242 1372 G C 0.512 175.435 174.900 0.038 0.000 0.989 1372 G CA 0.406 45.522 45.100 0.027 0.000 0.682 1372 G HN 2.124 nan 8.290 nan 0.000 0.522 1373 A N 0.030 122.892 122.820 0.071 0.000 2.477 1373 A HA 0.781 5.007 4.320 -0.156 0.000 0.246 1373 A C 1.175 178.754 177.584 -0.009 0.000 1.078 1373 A CA 0.968 53.017 52.037 0.021 0.000 0.770 1373 A CB 0.346 19.327 19.000 -0.032 0.000 1.011 1373 A HN 2.161 nan 8.150 nan 0.000 0.494 1374 A N 2.216 125.019 122.820 -0.029 0.000 2.483 1374 A HA 0.268 4.494 4.320 -0.156 0.000 0.238 1374 A C 0.864 178.422 177.584 -0.043 0.000 1.070 1374 A CA 0.139 52.160 52.037 -0.026 0.000 0.770 1374 A CB 0.039 19.024 19.000 -0.025 0.000 1.008 1374 A HN 0.842 nan 8.150 nan 0.000 0.497 1375 D N 0.697 121.083 120.400 -0.024 0.000 2.221 1375 D HA -0.153 4.393 4.640 -0.156 0.000 0.204 1375 D C 0.918 177.193 176.300 -0.041 0.000 0.982 1375 D CA 1.896 55.882 54.000 -0.024 0.000 0.857 1375 D CB -0.035 40.761 40.800 -0.006 0.000 0.934 1375 D HN 0.780 nan 8.370 nan 0.000 0.475 1376 D N -0.176 120.199 120.400 -0.042 0.000 2.340 1376 D HA -0.070 4.476 4.640 -0.156 0.000 0.217 1376 D C 0.645 176.907 176.300 -0.062 0.000 1.081 1376 D CA -0.230 53.745 54.000 -0.043 0.000 0.842 1376 D CB -0.754 40.029 40.800 -0.027 0.000 0.934 1376 D HN 0.145 nan 8.370 nan 0.000 0.511 1377 Q N 0.716 120.459 119.800 -0.095 0.000 2.283 1377 Q HA 0.024 4.270 4.340 -0.156 0.000 0.301 1377 Q C -0.942 174.982 176.000 -0.127 0.000 1.063 1377 Q CA 0.477 56.208 55.803 -0.121 0.000 0.952 1377 Q CB 0.403 29.027 28.738 -0.190 0.000 1.166 1377 Q HN 0.049 nan 8.270 nan 0.000 0.381 1378 D N 2.847 123.198 120.400 -0.082 0.000 2.686 1378 D HA 0.328 4.874 4.640 -0.156 0.000 0.249 1378 D C -1.003 175.279 176.300 -0.031 0.000 1.260 1378 D CA -0.281 53.686 54.000 -0.055 0.000 0.910 1378 D CB 1.516 42.299 40.800 -0.029 0.000 1.323 1378 D HN 0.583 nan 8.370 nan 0.000 0.561 1379 A N 4.316 127.123 122.820 -0.022 0.000 2.345 1379 A HA 0.205 4.431 4.320 -0.156 0.000 0.225 1379 A C 1.023 178.625 177.584 0.029 0.000 1.243 1379 A CA -0.157 51.887 52.037 0.012 0.000 0.875 1379 A CB 0.083 19.101 19.000 0.031 0.000 0.929 1379 A HN 0.441 nan 8.150 nan 0.000 0.502 1380 R N -0.334 120.180 120.500 0.023 0.000 2.726 1380 R HA 0.418 4.664 4.340 -0.156 0.000 0.272 1380 R C -0.599 175.720 176.300 0.031 0.000 1.097 1380 R CA 0.339 56.457 56.100 0.031 0.000 1.198 1380 R CB 0.319 30.636 30.300 0.029 0.000 1.114 1380 R HN 0.153 nan 8.270 nan 0.000 0.550 1381 T N 0.729 115.304 114.554 0.035 0.000 2.824 1381 T HA 0.414 4.670 4.350 -0.156 0.000 0.282 1381 T C -0.518 174.202 174.700 0.033 0.000 0.993 1381 T CA -0.664 61.457 62.100 0.035 0.000 0.967 1381 T CB 1.774 70.667 68.868 0.041 0.000 0.960 1381 T HN 0.666 nan 8.240 nan 0.000 0.441 1382 A N 5.083 127.920 122.820 0.028 0.000 2.425 1382 A HA 0.614 4.840 4.320 -0.156 0.000 0.249 1382 A C -2.022 175.582 177.584 0.033 0.000 1.084 1382 A CA -1.250 50.803 52.037 0.027 0.000 0.781 1382 A CB -0.316 18.695 19.000 0.018 0.000 1.019 1382 A HN 0.569 nan 8.150 nan 0.000 0.490 1383 P HA 0.109 nan 4.420 nan 0.000 0.271 1383 P C -0.016 177.307 177.300 0.038 0.000 1.216 1383 P CA -0.002 63.127 63.100 0.049 0.000 0.776 1383 P CB 0.947 32.680 31.700 0.055 0.000 0.881 1384 S N 1.303 117.031 115.700 0.047 0.000 2.580 1384 S HA 0.095 4.471 4.470 -0.156 0.000 0.274 1384 S C 0.799 175.411 174.600 0.020 0.000 1.329 1384 S CA -0.406 57.815 58.200 0.035 0.000 1.036 1384 S CB 0.011 63.239 63.200 0.047 0.000 0.919 1384 S HN 0.498 nan 8.310 nan 0.000 0.515 1385 D N 1.843 122.247 120.400 0.006 0.000 2.319 1385 D HA 0.019 4.565 4.640 -0.156 0.000 0.230 1385 D C 0.504 176.793 176.300 -0.018 0.000 1.094 1385 D CA -0.194 53.798 54.000 -0.014 0.000 0.856 1385 D CB -0.239 40.553 40.800 -0.013 0.000 0.915 1385 D HN 0.724 nan 8.370 nan 0.000 0.517 1386 E N 0.961 121.164 120.200 0.003 0.000 2.376 1386 E HA 0.235 4.491 4.350 -0.156 0.000 0.266 1386 E C -0.245 176.358 176.600 0.005 0.000 1.009 1386 E CA -0.684 55.724 56.400 0.013 0.000 0.902 1386 E CB 0.771 30.492 29.700 0.034 0.000 0.972 1386 E HN 0.175 nan 8.360 nan 0.000 0.439 1387 A N 5.102 127.920 122.820 -0.003 0.000 2.565 1387 A HA -0.018 4.209 4.320 -0.156 0.000 0.237 1387 A C -0.280 177.346 177.584 0.070 0.000 1.053 1387 A CA 0.248 52.278 52.037 -0.013 0.000 0.755 1387 A CB -0.190 18.812 19.000 0.002 0.000 0.980 1387 A HN 0.826 nan 8.150 nan 0.000 0.506 1388 H N 0.741 119.811 119.070 -0.000 0.000 2.771 1388 H HA 0.204 4.665 4.556 -0.157 0.000 0.364 1388 H C 1.320 176.647 175.328 -0.002 0.000 1.133 1388 H CA 0.585 56.632 56.048 -0.002 0.000 1.423 1388 H CB 0.722 30.478 29.762 -0.010 0.000 1.425 1388 H HN 0.794 nan 8.280 nan 0.000 0.606 1389 T N -1.722 112.902 114.554 0.117 0.000 3.084 1389 T HA 0.096 4.353 4.350 -0.156 0.000 0.270 1389 T C 0.444 175.160 174.700 0.027 0.000 1.008 1389 T CA -0.154 61.979 62.100 0.055 0.000 0.900 1389 T CB 0.023 68.911 68.868 0.034 0.000 1.084 1389 T HN 0.654 nan 8.240 nan 0.000 0.538 1390 T N -1.259 113.303 114.554 0.014 0.000 2.916 1390 T HA 0.515 4.771 4.350 -0.156 0.000 0.292 1390 T C -0.710 173.991 174.700 0.001 0.000 1.064 1390 T CA -1.025 61.065 62.100 -0.016 0.000 1.011 1390 T CB 2.181 71.012 68.868 -0.060 0.000 1.152 1390 T HN -0.003 nan 8.240 nan 0.000 0.510 1391 K N 1.660 122.056 120.400 -0.008 0.000 2.127 1391 K HA 0.330 4.556 4.320 -0.156 0.000 0.261 1391 K C -0.805 175.783 176.600 -0.021 0.000 1.129 1391 K CA 0.044 56.332 56.287 0.001 0.000 0.993 1391 K CB -0.375 32.119 32.500 -0.009 0.000 1.410 1391 K HN 0.795 nan 8.250 nan 0.000 0.380 1392 T N 0.957 115.508 114.554 -0.005 0.000 2.932 1392 T HA 0.493 4.750 4.350 -0.156 0.000 0.318 1392 T C 0.161 174.864 174.700 0.005 0.000 1.265 1392 T CA -0.153 61.915 62.100 -0.053 0.000 1.036 1392 T CB 1.621 70.412 68.868 -0.129 0.000 1.209 1392 T HN 0.413 nan 8.240 nan 0.000 0.484 1393 A N 2.809 125.562 122.820 -0.112 0.000 1.849 1393 A HA 0.398 4.625 4.320 -0.156 0.000 0.214 1393 A C -0.156 177.300 177.584 -0.214 0.000 1.269 1393 A CA 0.765 52.655 52.037 -0.246 0.000 0.605 1393 A CB -0.733 17.897 19.000 -0.617 0.000 0.937 1393 A HN 0.764 nan 8.150 nan 0.000 0.461 1394 Y N 0.267 120.602 120.300 0.058 0.000 2.304 1394 Y HA 0.563 5.024 4.550 -0.149 0.000 0.327 1394 Y C 0.685 176.572 175.900 -0.021 0.000 1.209 1394 Y CA -0.225 57.900 58.100 0.041 0.000 1.299 1394 Y CB 0.584 39.059 38.460 0.025 0.000 1.249 1394 Y HN 0.238 nan 8.280 nan 0.000 0.519 1395 R N 0.380 120.967 120.500 0.145 0.000 2.686 1395 R HA 0.399 4.645 4.340 -0.156 0.000 0.286 1395 R C -0.835 175.506 176.300 0.067 0.000 0.969 1395 R CA -0.995 55.128 56.100 0.039 0.000 0.898 1395 R CB 2.092 32.364 30.300 -0.047 0.000 1.183 1395 R HN 0.592 nan 8.270 nan 0.000 0.456 1396 S N 2.626 118.348 115.700 0.038 0.000 2.423 1396 S HA 0.147 4.523 4.470 -0.156 0.000 0.302 1396 S C -0.635 173.983 174.600 0.030 0.000 1.143 1396 S CA -0.351 57.869 58.200 0.032 0.000 1.080 1396 S CB -0.581 62.629 63.200 0.016 0.000 1.081 1396 S HN 0.695 nan 8.310 nan 0.000 0.522 1397 N N 2.691 121.415 118.700 0.040 0.000 3.277 1397 N HA 0.495 5.141 4.740 -0.156 0.000 0.278 1397 N C 0.581 176.119 175.510 0.047 0.000 1.544 1397 N CA -0.290 52.785 53.050 0.043 0.000 0.869 1397 N CB 0.199 38.714 38.487 0.046 0.000 1.584 1397 N HN 0.215 nan 8.380 nan 0.000 0.564 1398 A N -0.326 122.524 122.820 0.049 0.000 1.940 1398 A HA 0.105 4.331 4.320 -0.156 0.000 0.219 1398 A C 2.061 179.675 177.584 0.050 0.000 1.176 1398 A CA 2.513 54.580 52.037 0.051 0.000 0.631 1398 A CB -1.524 17.508 19.000 0.053 0.000 0.814 1398 A HN 0.900 nan 8.150 nan 0.000 0.446 1399 A N -0.668 122.184 122.820 0.053 0.000 1.873 1399 A HA 0.008 4.234 4.320 -0.156 0.000 0.215 1399 A C 2.123 179.741 177.584 0.056 0.000 1.186 1399 A CA 1.630 53.700 52.037 0.055 0.000 0.616 1399 A CB -0.635 18.402 19.000 0.062 0.000 0.823 1399 A HN 0.548 nan 8.150 nan 0.000 0.442 1400 L N 0.180 121.440 121.223 0.062 0.000 2.046 1400 L HA -0.177 4.069 4.340 -0.156 0.000 0.208 1400 L C 1.554 178.444 176.870 0.034 0.000 1.077 1400 L CA 2.321 57.192 54.840 0.051 0.000 0.747 1400 L CB -0.604 41.489 42.059 0.057 0.000 0.896 1400 L HN 0.332 nan 8.230 nan 0.000 0.432 1401 D N -1.093 119.329 120.400 0.036 0.000 2.265 1401 D HA -0.135 4.411 4.640 -0.156 0.000 0.208 1401 D C 2.139 178.462 176.300 0.038 0.000 0.977 1401 D CA 1.219 55.239 54.000 0.034 0.000 0.871 1401 D CB -0.040 40.781 40.800 0.036 0.000 0.925 1401 D HN 0.307 nan 8.370 nan 0.000 0.485 1402 S N 0.150 115.875 115.700 0.041 0.000 2.561 1402 S HA 0.007 4.384 4.470 -0.156 0.000 0.225 1402 S C 0.748 175.375 174.600 0.045 0.000 0.977 1402 S CA -0.141 58.085 58.200 0.044 0.000 0.926 1402 S CB 0.069 63.294 63.200 0.042 0.000 0.769 1402 S HN 0.265 nan 8.310 nan 0.000 0.533 1403 N N 1.534 120.258 118.700 0.040 0.000 2.524 1403 N HA 0.374 5.020 4.740 -0.156 0.000 0.283 1403 N C -0.932 174.609 175.510 0.051 0.000 1.142 1403 N CA 0.061 53.135 53.050 0.040 0.000 0.984 1403 N CB 1.730 40.228 38.487 0.019 0.000 1.155 1403 N HN -0.067 nan 8.380 nan 0.000 0.467 1404 V N 2.798 122.753 119.914 0.069 0.000 2.686 1404 V HA 0.459 4.485 4.120 -0.156 0.000 0.306 1404 V C 0.079 176.232 176.094 0.098 0.000 1.065 1404 V CA -0.744 61.610 62.300 0.090 0.000 0.894 1404 V CB 1.834 33.724 31.823 0.111 0.000 1.004 1404 V HN 0.478 nan 8.190 nan 0.000 0.424 1405 I N 4.147 124.774 120.570 0.093 0.000 2.488 1405 I HA 0.417 4.493 4.170 -0.156 0.000 0.299 1405 I C -1.027 175.181 176.117 0.153 0.000 0.984 1405 I CA -0.644 60.701 61.300 0.074 0.000 1.250 1405 I CB 1.185 39.183 38.000 -0.003 0.000 1.389 1405 I HN 0.616 nan 8.210 nan 0.000 0.488 1406 Y N 4.908 125.146 120.300 -0.103 0.000 2.331 1406 Y HA 0.290 4.750 4.550 -0.150 0.000 0.334 1406 Y C -0.231 175.498 175.900 -0.286 0.000 0.960 1406 Y CA -1.608 56.387 58.100 -0.175 0.000 1.130 1406 Y CB 1.299 39.569 38.460 -0.317 0.000 1.164 1406 Y HN 0.572 nan 8.280 nan 0.000 0.458 1407 E N 4.001 124.037 120.200 -0.274 0.000 1.865 1407 E HA 0.280 4.536 4.350 -0.156 0.000 0.269 1407 E C 0.403 176.579 176.600 -0.706 0.000 1.177 1407 E CA -0.138 56.075 56.400 -0.313 0.000 0.932 1407 E CB -0.007 29.674 29.700 -0.031 0.000 1.066 1407 E HN 0.997 nan 8.360 nan 0.000 0.405 1408 G N 5.262 113.497 108.800 -0.941 0.000 3.474 1408 G HA2 0.202 4.068 3.960 -0.156 0.000 0.269 1408 G HA3 0.202 4.068 3.960 -0.156 0.000 0.269 1408 G C -0.382 174.394 174.900 -0.206 0.000 1.339 1408 G CA -0.115 44.366 45.100 -1.031 0.000 1.258 1408 G HN 0.492 nan 8.290 nan 0.000 0.560 1409 F N -2.080 117.619 119.950 -0.419 0.000 2.711 1409 F HA 0.808 5.228 4.527 -0.178 0.000 0.313 1409 F C -0.754 174.958 175.800 -0.146 0.000 1.141 1409 F CA -1.543 56.177 58.000 -0.467 0.000 0.941 1409 F CB 1.397 40.178 39.000 -0.365 0.000 1.349 1409 F HN -0.073 nan 8.300 nan 0.000 0.464 1410 S N 0.566 116.251 115.700 -0.025 0.000 2.568 1410 S HA 0.375 4.751 4.470 -0.156 0.000 0.293 1410 S C 0.088 174.916 174.600 0.380 0.000 1.089 1410 S CA -0.758 57.613 58.200 0.285 0.000 0.945 1410 S CB 1.354 64.849 63.200 0.492 0.000 1.077 1410 S HN 0.721 nan 8.310 nan 0.000 0.485 1411 N N 1.574 120.468 118.700 0.323 0.000 2.348 1411 N HA -0.022 4.624 4.740 -0.156 0.000 0.185 1411 N C 0.375 175.760 175.510 -0.209 0.000 1.019 1411 N CA 1.281 54.340 53.050 0.015 0.000 0.880 1411 N CB -0.365 37.898 38.487 -0.374 0.000 0.965 1411 N HN 0.627 nan 8.380 nan 0.000 0.437 1412 F N 0.294 120.386 119.950 0.236 0.000 2.641 1412 F HA 0.364 4.795 4.527 -0.161 0.000 0.302 1412 F C 0.589 176.476 175.800 0.146 0.000 1.098 1412 F CA -0.648 57.473 58.000 0.202 0.000 1.318 1412 F CB -0.203 38.868 39.000 0.119 0.000 1.035 1412 F HN -0.186 nan 8.300 nan 0.000 0.551 1413 I N 1.214 121.924 120.570 0.234 0.000 2.826 1413 I HA -0.192 3.884 4.170 -0.156 0.000 0.295 1413 I C -0.027 176.209 176.117 0.197 0.000 1.213 1413 I CA 0.176 61.556 61.300 0.133 0.000 1.436 1413 I CB 0.001 38.094 38.000 0.154 0.000 1.348 1413 I HN -0.018 nan 8.210 nan 0.000 0.570 1414 Y N 4.712 125.104 120.300 0.154 0.000 2.300 1414 Y HA 0.160 4.617 4.550 -0.156 0.000 0.328 1414 Y C -0.022 175.922 175.900 0.073 0.000 1.270 1414 Y CA -1.620 56.571 58.100 0.153 0.000 1.352 1414 Y CB 0.161 38.734 38.460 0.188 0.000 1.286 1414 Y HN 0.436 nan 8.280 nan 0.000 0.536 1415 W N 3.618 125.034 121.300 0.194 0.000 2.223 1415 W HA 0.206 4.775 4.660 -0.152 0.000 0.334 1415 W C -1.925 174.653 176.519 0.099 0.000 1.334 1415 W CA -0.984 56.407 57.345 0.077 0.000 1.246 1415 W CB -0.374 29.103 29.460 0.028 0.000 1.184 1415 W HN 0.276 nan 8.180 nan 0.000 0.563 1416 P HA 0.027 nan 4.420 nan 0.000 0.271 1416 P C 0.758 178.174 177.300 0.193 0.000 1.216 1416 P CA 0.226 63.434 63.100 0.179 0.000 0.776 1416 P CB 0.797 32.562 31.700 0.109 0.000 0.881 1417 T N -2.022 112.622 114.554 0.151 0.000 3.057 1417 T HA 0.114 4.370 4.350 -0.156 0.000 0.254 1417 T C 0.661 175.414 174.700 0.089 0.000 1.094 1417 T CA 0.597 62.767 62.100 0.117 0.000 1.088 1417 T CB -0.493 68.437 68.868 0.104 0.000 0.934 1417 T HN 0.571 nan 8.240 nan 0.000 0.497 1418 T N -2.053 112.551 114.554 0.083 0.000 2.883 1418 T HA 0.469 4.725 4.350 -0.156 0.000 0.296 1418 T C 0.620 175.355 174.700 0.059 0.000 1.117 1418 T CA -0.736 61.402 62.100 0.062 0.000 1.006 1418 T CB 2.304 71.202 68.868 0.049 0.000 1.191 1418 T HN 0.010 nan 8.240 nan 0.000 0.508 1419 E N 0.579 120.807 120.200 0.045 0.000 2.085 1419 E HA -0.177 4.079 4.350 -0.156 0.000 0.194 1419 E C 1.954 178.570 176.600 0.027 0.000 0.994 1419 E CA 1.774 58.196 56.400 0.036 0.000 0.801 1419 E CB -0.201 29.515 29.700 0.027 0.000 0.743 1419 E HN 0.773 nan 8.360 nan 0.000 0.453 1420 S N -0.146 115.570 115.700 0.027 0.000 2.507 1420 S HA -0.098 4.279 4.470 -0.156 0.000 0.235 1420 S C 1.377 175.998 174.600 0.035 0.000 0.988 1420 S CA 0.785 59.000 58.200 0.024 0.000 0.944 1420 S CB -0.070 63.142 63.200 0.019 0.000 0.762 1420 S HN 0.271 nan 8.310 nan 0.000 0.526 1421 E N 0.610 120.839 120.200 0.047 0.000 2.489 1421 E HA 0.137 4.394 4.350 -0.156 0.000 0.193 1421 E C 0.165 176.802 176.600 0.061 0.000 1.057 1421 E CA -0.257 56.183 56.400 0.065 0.000 0.866 1421 E CB 0.184 29.934 29.700 0.083 0.000 0.916 1421 E HN 0.505 nan 8.360 nan 0.000 0.500 1422 R N 1.093 121.610 120.500 0.028 0.000 2.458 1422 R HA 0.027 4.273 4.340 -0.156 0.000 0.303 1422 R C 1.113 177.381 176.300 -0.054 0.000 1.013 1422 R CA 0.056 56.146 56.100 -0.017 0.000 1.026 1422 R CB 0.493 30.777 30.300 -0.026 0.000 0.948 1422 R HN 0.015 nan 8.270 nan 0.000 0.417 1423 T N 2.367 116.841 114.554 -0.132 0.000 2.620 1423 T HA -0.223 4.034 4.350 -0.156 0.000 0.267 1423 T C 1.375 175.840 174.700 -0.392 0.000 1.044 1423 T CA 1.769 63.595 62.100 -0.457 0.000 1.161 1423 T CB -0.147 68.361 68.868 -0.599 0.000 0.862 1423 T HN 0.562 nan 8.240 nan 0.000 0.438 1424 N N 0.486 119.030 118.700 -0.260 0.000 2.331 1424 N HA -0.008 4.638 4.740 -0.156 0.000 0.180 1424 N C 1.906 177.323 175.510 -0.155 0.000 1.019 1424 N CA 0.445 53.350 53.050 -0.241 0.000 0.881 1424 N CB -0.615 37.747 38.487 -0.208 0.000 0.972 1424 N HN 0.237 nan 8.380 nan 0.000 0.435 1425 V N 1.396 121.252 119.914 -0.097 0.000 2.261 1425 V HA -0.212 3.814 4.120 -0.156 0.000 0.246 1425 V C 2.261 178.341 176.094 -0.023 0.000 1.047 1425 V CA 1.604 63.873 62.300 -0.053 0.000 1.015 1425 V CB -0.360 31.448 31.823 -0.025 0.000 0.642 1425 V HN 0.267 nan 8.190 nan 0.000 0.446 1426 R N -0.539 119.975 120.500 0.024 0.000 2.115 1426 R HA -0.033 4.213 4.340 -0.156 0.000 0.230 1426 R C 2.233 178.634 176.300 0.167 0.000 1.111 1426 R CA 1.349 57.518 56.100 0.114 0.000 0.976 1426 R CB -0.383 30.066 30.300 0.249 0.000 0.870 1426 R HN 0.461 nan 8.270 nan 0.000 0.445 1427 I N 0.571 121.214 120.570 0.121 0.000 2.226 1427 I HA -0.276 3.800 4.170 -0.156 0.000 0.245 1427 I C 2.565 178.717 176.117 0.057 0.000 1.100 1427 I CA 1.300 62.696 61.300 0.159 0.000 1.374 1427 I CB -0.389 37.474 38.000 -0.229 0.000 1.057 1427 I HN 0.192 nan 8.210 nan 0.000 0.413 1428 A N 0.048 122.833 122.820 -0.059 0.000 1.933 1428 A HA -0.251 3.975 4.320 -0.156 0.000 0.218 1428 A C 2.205 179.748 177.584 -0.068 0.000 1.175 1428 A CA 1.532 53.518 52.037 -0.085 0.000 0.628 1428 A CB -0.552 18.389 19.000 -0.099 0.000 0.814 1428 A HN 0.498 nan 8.150 nan 0.000 0.444 1429 Q N -0.640 119.130 119.800 -0.050 0.000 2.378 1429 Q HA 0.027 4.273 4.340 -0.156 0.000 0.205 1429 Q C 0.469 176.390 176.000 -0.132 0.000 0.954 1429 Q CA 0.725 56.486 55.803 -0.070 0.000 0.901 1429 Q CB 0.086 28.798 28.738 -0.043 0.000 0.981 1429 Q HN 0.600 nan 8.270 nan 0.000 0.483 1430 N N -0.710 117.880 118.700 -0.183 0.000 2.282 1430 N HA 0.197 4.843 4.740 -0.156 0.000 0.240 1430 N C 0.449 175.478 175.510 -0.803 0.000 1.182 1430 N CA 0.180 52.938 53.050 -0.487 0.000 0.874 1430 N CB 0.988 39.138 38.487 -0.561 0.000 1.126 1430 N HN 0.107 nan 8.380 nan 0.000 0.516 1431 A N 0.935 123.555 122.820 -0.334 0.000 1.933 1431 A HA -0.157 4.070 4.320 -0.156 0.000 0.218 1431 A C 1.754 179.200 177.584 -0.231 0.000 1.175 1431 A CA 1.387 53.336 52.037 -0.147 0.000 0.628 1431 A CB -0.076 18.897 19.000 -0.045 0.000 0.814 1431 A HN 0.061 nan 8.150 nan 0.000 0.444 1432 D N -0.548 119.694 120.400 -0.264 0.000 2.144 1432 D HA -0.101 4.445 4.640 -0.156 0.000 0.200 1432 D C 1.848 177.943 176.300 -0.342 0.000 0.978 1432 D CA 1.111 54.976 54.000 -0.225 0.000 0.833 1432 D CB -0.364 40.336 40.800 -0.166 0.000 0.961 1432 D HN 0.364 nan 8.370 nan 0.000 0.470 1433 L N 0.284 121.185 121.223 -0.537 0.000 2.012 1433 L HA -0.189 4.057 4.340 -0.156 0.000 0.210 1433 L C 1.972 178.176 176.870 -1.109 0.000 1.073 1433 L CA 1.614 56.000 54.840 -0.757 0.000 0.748 1433 L CB -0.685 40.894 42.059 -0.800 0.000 0.891 1433 L HN -0.132 nan 8.230 nan 0.000 0.431 1434 F N 0.356 119.880 119.950 -0.710 0.000 2.134 1434 F HA -0.177 4.262 4.527 -0.145 0.000 0.299 1434 F C 2.582 178.195 175.800 -0.311 0.000 1.097 1434 F CA 1.600 59.225 58.000 -0.624 0.000 1.264 1434 F CB -1.344 37.596 39.000 -0.100 0.000 1.001 1434 F HN 0.142 nan 8.300 nan 0.000 0.479 1435 K N 0.756 121.124 120.400 -0.053 0.000 2.074 1435 K HA -0.227 3.999 4.320 -0.156 0.000 0.209 1435 K C 2.282 178.859 176.600 -0.038 0.000 1.048 1435 K CA 1.861 58.139 56.287 -0.015 0.000 0.926 1435 K CB -0.313 32.168 32.500 -0.031 0.000 0.713 1435 K HN 0.359 nan 8.250 nan 0.000 0.444 1436 S N -0.619 114.995 115.700 -0.144 0.000 2.453 1436 S HA -0.094 4.282 4.470 -0.156 0.000 0.231 1436 S C 1.257 175.911 174.600 0.090 0.000 1.005 1436 S CA 0.330 58.490 58.200 -0.067 0.000 0.949 1436 S CB -0.344 62.781 63.200 -0.125 0.000 0.774 1436 S HN 0.440 nan 8.310 nan 0.000 0.510 1437 W N 1.744 123.047 121.300 0.006 0.000 3.256 1437 W HA 0.502 5.065 4.660 -0.162 0.000 0.269 1437 W C 1.692 178.209 176.519 -0.002 0.000 1.310 1437 W CA -0.491 56.840 57.345 -0.024 0.000 1.673 1437 W CB -1.487 27.937 29.460 -0.061 0.000 1.115 1437 W HN 0.534 nan 8.180 nan 0.000 0.686 1438 G N 0.978 109.893 108.800 0.192 0.000 2.143 1438 G HA2 -0.293 3.573 3.960 -0.156 0.000 0.248 1438 G HA3 -0.293 3.573 3.960 -0.156 0.000 0.248 1438 G C 0.143 175.132 174.900 0.148 0.000 0.991 1438 G CA -0.329 44.853 45.100 0.137 0.000 0.689 1438 G HN 0.032 nan 8.290 nan 0.000 0.522 1439 I N 1.985 122.671 120.570 0.193 0.000 2.668 1439 I HA 0.168 4.244 4.170 -0.156 0.000 0.285 1439 I C 1.817 178.027 176.117 0.155 0.000 1.168 1439 I CA 1.481 62.896 61.300 0.191 0.000 1.424 1439 I CB 0.358 38.507 38.000 0.248 0.000 1.377 1439 I HN 0.365 nan 8.210 nan 0.000 0.560 1440 T N 0.449 115.079 114.554 0.126 0.000 2.969 1440 T HA 0.088 4.344 4.350 -0.156 0.000 0.250 1440 T C 0.760 175.522 174.700 0.103 0.000 1.021 1440 T CA -0.032 62.127 62.100 0.098 0.000 1.003 1440 T CB 0.387 69.294 68.868 0.065 0.000 1.040 1440 T HN 0.558 nan 8.240 nan 0.000 0.492 1441 T N 0.780 115.402 114.554 0.114 0.000 2.971 1441 T HA 0.563 4.820 4.350 -0.156 0.000 0.304 1441 T C -2.171 172.627 174.700 0.164 0.000 1.038 1441 T CA -0.816 61.358 62.100 0.124 0.000 1.007 1441 T CB 1.174 70.080 68.868 0.064 0.000 1.055 1441 T HN 0.276 nan 8.240 nan 0.000 0.451 1442 F N 4.461 124.434 119.950 0.039 0.000 2.334 1442 F HA 0.453 4.892 4.527 -0.148 0.000 0.367 1442 F C 0.539 176.324 175.800 -0.025 0.000 1.115 1442 F CA -0.760 57.251 58.000 0.017 0.000 1.116 1442 F CB 0.656 39.634 39.000 -0.036 0.000 1.230 1442 F HN 0.586 nan 8.300 nan 0.000 0.484 1443 E N 6.851 127.020 120.200 -0.051 0.000 2.104 1443 E HA 0.183 4.439 4.350 -0.156 0.000 0.278 1443 E C -0.961 175.680 176.600 0.068 0.000 1.127 1443 E CA -0.555 55.848 56.400 0.005 0.000 0.897 1443 E CB 0.543 30.206 29.700 -0.062 0.000 1.043 1443 E HN 0.626 nan 8.360 nan 0.000 0.410 1444 L N 3.322 124.633 121.223 0.146 0.000 2.436 1444 L HA 0.259 4.505 4.340 -0.156 0.000 0.265 1444 L C 0.647 177.278 176.870 -0.398 0.000 1.168 1444 L CA 0.074 54.891 54.840 -0.040 0.000 0.815 1444 L CB 0.860 42.848 42.059 -0.119 0.000 1.109 1444 L HN 0.598 nan 8.230 nan 0.000 0.462 1445 A N 3.908 126.176 122.820 -0.919 0.000 2.583 1445 A HA 0.225 4.451 4.320 -0.156 0.000 0.231 1445 A C -2.123 174.863 177.584 -0.996 0.000 1.065 1445 A CA -0.727 50.343 52.037 -1.611 0.000 0.760 1445 A CB -0.987 16.845 19.000 -1.947 0.000 1.001 1445 A HN 0.555 nan 8.150 nan 0.000 0.509 1446 P HA -0.022 nan 4.420 nan 0.000 0.262 1446 P C -0.310 176.497 177.300 -0.821 0.000 1.182 1446 P CA 0.441 63.051 63.100 -0.817 0.000 0.761 1446 P CB 0.538 31.808 31.700 -0.718 0.000 0.795 1447 Q N 1.155 120.266 119.800 -1.149 0.000 2.319 1447 Q HA 0.070 4.316 4.340 -0.156 0.000 0.202 1447 Q C -0.017 175.586 176.000 -0.661 0.000 0.896 1447 Q CA 0.085 55.444 55.803 -0.740 0.000 0.942 1447 Q CB -0.208 28.169 28.738 -0.602 0.000 1.083 1447 Q HN 0.544 nan 8.270 nan 0.000 0.510 1448 Y N 1.364 121.545 120.300 -0.197 0.000 2.442 1448 Y HA 0.070 4.521 4.550 -0.166 0.000 0.330 1448 Y C 0.725 176.611 175.900 -0.024 0.000 1.129 1448 Y CA -1.125 56.866 58.100 -0.182 0.000 1.365 1448 Y CB -0.087 38.008 38.460 -0.609 0.000 1.233 1448 Y HN -0.094 nan 8.280 nan 0.000 0.529 1449 N N 1.261 120.047 118.700 0.144 0.000 2.412 1449 N HA -0.049 4.597 4.740 -0.156 0.000 0.258 1449 N C 0.030 175.673 175.510 0.223 0.000 1.236 1449 N CA -0.062 53.081 53.050 0.156 0.000 0.882 1449 N CB 0.567 39.159 38.487 0.175 0.000 1.066 1449 N HN 0.636 nan 8.380 nan 0.000 0.465 1450 S N 0.715 116.521 115.700 0.176 0.000 2.568 1450 S HA 0.003 4.379 4.470 -0.156 0.000 0.282 1450 S C 1.393 176.073 174.600 0.134 0.000 1.338 1450 S CA -0.242 58.048 58.200 0.150 0.000 1.045 1450 S CB 0.280 63.557 63.200 0.128 0.000 0.873 1450 S HN 0.603 nan 8.310 nan 0.000 0.516 1451 S N 3.368 119.113 115.700 0.075 0.000 2.481 1451 S HA 0.021 4.397 4.470 -0.156 0.000 0.231 1451 S C 0.711 175.343 174.600 0.053 0.000 0.996 1451 S CA 0.700 58.947 58.200 0.077 0.000 0.942 1451 S CB -0.670 62.566 63.200 0.061 0.000 0.768 1451 S HN 0.904 nan 8.310 nan 0.000 0.520 1452 K N 0.690 121.110 120.400 0.034 0.000 3.020 1452 K HA -0.206 4.020 4.320 -0.156 0.000 0.266 1452 K C -0.176 176.428 176.600 0.008 0.000 1.067 1452 K CA 1.072 57.371 56.287 0.019 0.000 0.780 1452 K CB -1.760 30.744 32.500 0.008 0.000 1.220 1452 K HN 0.833 nan 8.250 nan 0.000 0.483 1453 D N -0.881 119.534 120.400 0.025 0.000 2.340 1453 D HA 0.100 4.646 4.640 -0.156 0.000 0.220 1453 D C 1.265 177.583 176.300 0.030 0.000 1.039 1453 D CA 0.534 54.557 54.000 0.039 0.000 0.866 1453 D CB 0.139 40.987 40.800 0.080 0.000 0.913 1453 D HN 0.334 nan 8.370 nan 0.000 0.523 1454 G N 0.318 109.125 108.800 0.013 0.000 2.196 1454 G HA2 -0.390 3.476 3.960 -0.156 0.000 0.268 1454 G HA3 -0.390 3.476 3.960 -0.156 0.000 0.268 1454 G C 1.224 176.149 174.900 0.042 0.000 0.975 1454 G CA 1.202 46.297 45.100 -0.009 0.000 0.648 1454 G HN 0.642 nan 8.290 nan 0.000 0.538 1455 T N -3.340 111.286 114.554 0.120 0.000 3.118 1455 T HA 0.505 4.761 4.350 -0.156 0.000 0.260 1455 T C 0.445 175.335 174.700 0.317 0.000 1.139 1455 T CA 1.165 63.368 62.100 0.172 0.000 1.085 1455 T CB 0.181 69.144 68.868 0.158 0.000 0.934 1455 T HN 1.206 nan 8.240 nan 0.000 0.518 1456 F N -0.785 119.235 119.950 0.117 0.000 2.741 1456 F HA 0.460 4.887 4.527 -0.167 0.000 0.311 1456 F C 0.268 176.110 175.800 0.070 0.000 1.149 1456 F CA -1.915 56.162 58.000 0.128 0.000 0.930 1456 F CB 0.776 39.919 39.000 0.238 0.000 1.312 1456 F HN -0.162 nan 8.300 nan 0.000 0.450 1457 L N 1.984 122.673 121.223 -0.890 0.000 2.021 1457 L HA -0.173 4.073 4.340 -0.156 0.000 0.215 1457 L C 1.591 178.324 176.870 -0.228 0.000 1.074 1457 L CA 2.445 56.969 54.840 -0.528 0.000 0.760 1457 L CB -0.831 40.861 42.059 -0.612 0.000 0.889 1457 L HN 0.709 nan 8.230 nan 0.000 0.433 1458 D N -0.796 119.549 120.400 -0.092 0.000 2.182 1458 D HA -0.132 4.414 4.640 -0.156 0.000 0.201 1458 D C 2.020 178.332 176.300 0.021 0.000 0.986 1458 D CA 1.508 55.577 54.000 0.114 0.000 0.847 1458 D CB -0.150 40.853 40.800 0.338 0.000 0.942 1458 D HN 0.622 nan 8.370 nan 0.000 0.467 1459 S N -1.209 114.478 115.700 -0.020 0.000 2.568 1459 S HA 0.257 4.633 4.470 -0.156 0.000 0.232 1459 S C 1.572 176.156 174.600 -0.027 0.000 0.975 1459 S CA -0.400 57.770 58.200 -0.051 0.000 0.949 1459 S CB 0.059 63.191 63.200 -0.114 0.000 0.829 1459 S HN 0.159 nan 8.310 nan 0.000 0.479 1460 I N 0.543 121.079 120.570 -0.056 0.000 2.947 1460 I HA 0.162 4.238 4.170 -0.156 0.000 0.263 1460 I C 1.441 177.546 176.117 -0.019 0.000 1.130 1460 I CA 0.404 61.637 61.300 -0.111 0.000 1.448 1460 I CB 0.102 37.934 38.000 -0.280 0.000 1.222 1460 I HN 0.317 nan 8.210 nan 0.000 0.453 1461 I N -2.340 118.238 120.570 0.013 0.000 3.956 1461 I HA 0.233 4.309 4.170 -0.156 0.000 0.333 1461 I C -0.306 175.860 176.117 0.082 0.000 1.302 1461 I CA -0.502 60.850 61.300 0.087 0.000 1.122 1461 I CB -0.666 37.335 38.000 0.003 0.000 1.013 1461 I HN -0.015 nan 8.210 nan 0.000 0.405 1462 D N 2.379 122.825 120.400 0.077 0.000 2.705 1462 D HA -0.210 4.336 4.640 -0.156 0.000 0.240 1462 D C 0.628 176.885 176.300 -0.072 0.000 1.137 1462 D CA 1.141 55.182 54.000 0.067 0.000 0.677 1462 D CB -1.480 39.483 40.800 0.272 0.000 1.049 1462 D HN 0.728 nan 8.370 nan 0.000 0.427 1463 N N -0.221 118.482 118.700 0.005 0.000 2.512 1463 N HA 0.033 4.679 4.740 -0.156 0.000 0.183 1463 N C 1.654 177.116 175.510 -0.080 0.000 1.073 1463 N CA 1.439 54.503 53.050 0.023 0.000 0.911 1463 N CB 0.029 38.640 38.487 0.206 0.000 0.964 1463 N HN 0.548 nan 8.380 nan 0.000 0.447 1464 G N -1.206 107.571 108.800 -0.038 0.000 2.179 1464 G HA2 -0.296 3.570 3.960 -0.156 0.000 0.220 1464 G HA3 -0.296 3.570 3.960 -0.156 0.000 0.220 1464 G C 0.348 175.336 174.900 0.147 0.000 0.990 1464 G CA 0.248 45.334 45.100 -0.022 0.000 0.646 1464 G HN 0.363 nan 8.290 nan 0.000 0.517 1465 Y N 0.796 121.255 120.300 0.264 0.000 2.523 1465 Y HA 0.557 5.010 4.550 -0.161 0.000 0.279 1465 Y C 1.841 177.826 175.900 0.141 0.000 1.139 1465 Y CA 0.902 59.205 58.100 0.338 0.000 1.296 1465 Y CB 0.574 39.192 38.460 0.263 0.000 1.045 1465 Y HN 0.594 nan 8.280 nan 0.000 0.538 1466 A N 0.845 123.697 122.820 0.054 0.000 2.323 1466 A HA 0.652 4.878 4.320 -0.156 0.000 0.305 1466 A C -1.163 176.237 177.584 -0.308 0.000 1.275 1466 A CA -0.440 51.186 52.037 -0.686 0.000 0.804 1466 A CB -0.553 17.710 19.000 -1.228 0.000 1.152 1466 A HN 0.210 nan 8.150 nan 0.000 0.487 1467 F N -0.797 119.125 119.950 -0.046 0.000 2.631 1467 F HA 0.677 5.104 4.527 -0.166 0.000 0.308 1467 F C 0.511 176.380 175.800 0.116 0.000 1.097 1467 F CA -0.738 57.306 58.000 0.072 0.000 0.952 1467 F CB 0.918 40.005 39.000 0.146 0.000 1.307 1467 F HN 0.120 nan 8.300 nan 0.000 0.450 1468 T N -1.358 113.404 114.554 0.347 0.000 2.983 1468 T HA 0.013 4.269 4.350 -0.156 0.000 0.250 1468 T C -0.282 174.628 174.700 0.350 0.000 1.037 1468 T CA 1.265 63.528 62.100 0.272 0.000 1.142 1468 T CB -0.145 68.852 68.868 0.216 0.000 0.876 1468 T HN 0.615 nan 8.240 nan 0.000 0.455 1469 D N 0.685 121.320 120.400 0.392 0.000 2.441 1469 D HA 0.309 4.856 4.640 -0.156 0.000 0.231 1469 D C 0.756 177.203 176.300 0.246 0.000 1.073 1469 D CA -0.428 53.784 54.000 0.354 0.000 0.850 1469 D CB 0.977 42.002 40.800 0.374 0.000 1.062 1469 D HN -0.043 nan 8.370 nan 0.000 0.524 1470 R N 2.133 122.685 120.500 0.086 0.000 2.159 1470 R HA -0.138 4.108 4.340 -0.156 0.000 0.237 1470 R C 0.848 177.042 176.300 -0.176 0.000 1.131 1470 R CA 1.401 57.215 56.100 -0.477 0.000 0.982 1470 R CB 0.006 29.645 30.300 -1.101 0.000 0.868 1470 R HN 0.535 nan 8.270 nan 0.000 0.453 1471 Y N -0.893 119.477 120.300 0.118 0.000 2.458 1471 Y HA 0.119 4.578 4.550 -0.151 0.000 0.256 1471 Y C 0.251 176.368 175.900 0.361 0.000 1.159 1471 Y CA -0.552 57.693 58.100 0.242 0.000 1.261 1471 Y CB 0.500 38.982 38.460 0.037 0.000 1.119 1471 Y HN -0.120 nan 8.280 nan 0.000 0.524 1472 D N 1.100 121.739 120.400 0.398 0.000 2.468 1472 D HA 0.193 4.739 4.640 -0.156 0.000 0.218 1472 D C -1.186 175.206 176.300 0.153 0.000 1.155 1472 D CA -0.102 53.992 54.000 0.156 0.000 0.924 1472 D CB 0.294 41.261 40.800 0.278 0.000 1.029 1472 D HN 0.029 nan 8.370 nan 0.000 0.515 1473 L N 3.642 124.949 121.223 0.140 0.000 2.407 1473 L HA 0.485 4.731 4.340 -0.156 0.000 0.261 1473 L C 1.200 178.092 176.870 0.036 0.000 1.108 1473 L CA -0.069 54.790 54.840 0.032 0.000 0.995 1473 L CB 0.791 42.791 42.059 -0.099 0.000 1.349 1473 L HN 0.554 nan 8.230 nan 0.000 0.423 1477 T N 2.027 116.667 114.554 0.143 0.000 2.831 1477 T HA 0.550 4.806 4.350 -0.156 0.000 0.333 1477 T C -3.454 171.320 174.700 0.123 0.000 1.684 1477 T CA -0.694 61.478 62.100 0.121 0.000 1.049 1477 T CB 1.377 70.312 68.868 0.110 0.000 1.518 1477 T HN -0.021 nan 8.240 nan 0.000 0.491 1478 P HA 0.227 nan 4.420 nan 0.000 0.269 1478 P C -0.489 176.903 177.300 0.152 0.000 1.209 1478 P CA -0.242 62.929 63.100 0.119 0.000 0.776 1478 P CB 0.283 32.062 31.700 0.133 0.000 0.876 1479 N N 1.593 120.301 118.700 0.014 0.000 2.285 1479 N HA 0.030 4.677 4.740 -0.156 0.000 0.262 1479 N C 0.987 176.178 175.510 -0.532 0.000 1.299 1479 N CA -0.143 52.825 53.050 -0.137 0.000 0.930 1479 N CB 0.104 38.473 38.487 -0.198 0.000 1.157 1479 N HN 0.236 nan 8.380 nan 0.000 0.532 1480 K N -1.522 118.145 120.400 -1.222 0.000 2.218 1480 K HA -0.162 4.064 4.320 -0.156 0.000 0.205 1480 K C 0.501 176.387 176.600 -1.191 0.000 1.046 1480 K CA 1.390 56.493 56.287 -1.973 0.000 0.933 1480 K CB -0.216 31.080 32.500 -2.006 0.000 0.728 1480 K HN 0.584 nan 8.250 nan 0.000 0.454 1481 Y N -1.087 118.910 120.300 -0.505 0.000 2.478 1481 Y HA 0.305 4.762 4.550 -0.154 0.000 0.261 1481 Y C 1.057 176.790 175.900 -0.278 0.000 1.127 1481 Y CA 0.168 58.028 58.100 -0.402 0.000 1.288 1481 Y CB 0.865 39.067 38.460 -0.429 0.000 1.084 1481 Y HN 0.144 nan 8.280 nan 0.000 0.530 1482 G N -0.485 108.238 108.800 -0.129 0.000 2.357 1482 G HA2 0.199 4.065 3.960 -0.156 0.000 0.289 1482 G HA3 0.199 4.065 3.960 -0.156 0.000 0.289 1482 G C -0.810 174.076 174.900 -0.024 0.000 1.302 1482 G CA -0.625 44.441 45.100 -0.057 0.000 0.936 1482 G HN 0.270 nan 8.290 nan 0.000 0.513 1483 S N -0.576 115.124 115.700 0.000 0.000 2.655 1483 S HA 0.464 4.840 4.470 -0.156 0.000 0.265 1483 S C 1.401 176.013 174.600 0.019 0.000 1.240 1483 S CA 0.799 59.013 58.200 0.022 0.000 0.986 1483 S CB 1.378 64.596 63.200 0.031 0.000 0.985 1483 S HN 1.097 nan 8.310 nan 0.000 0.562 1484 D N -0.168 120.264 120.400 0.054 0.000 2.218 1484 D HA -0.204 4.342 4.640 -0.156 0.000 0.204 1484 D C 1.423 177.763 176.300 0.068 0.000 0.976 1484 D CA 1.358 55.423 54.000 0.109 0.000 0.853 1484 D CB -0.419 40.486 40.800 0.175 0.000 0.939 1484 D HN 0.687 nan 8.370 nan 0.000 0.481 1485 E N 1.202 121.417 120.200 0.025 0.000 2.106 1485 E HA -0.162 4.094 4.350 -0.156 0.000 0.192 1485 E C 1.495 178.079 176.600 -0.028 0.000 0.984 1485 E CA 1.361 57.758 56.400 -0.005 0.000 0.806 1485 E CB -0.109 29.589 29.700 -0.004 0.000 0.750 1485 E HN 0.108 nan 8.360 nan 0.000 0.458 1486 D N 0.007 120.389 120.400 -0.031 0.000 2.144 1486 D HA -0.148 4.398 4.640 -0.156 0.000 0.199 1486 D C 1.937 178.176 176.300 -0.101 0.000 0.984 1486 D CA 0.896 54.858 54.000 -0.062 0.000 0.834 1486 D CB -0.312 40.454 40.800 -0.057 0.000 0.955 1486 D HN 0.231 nan 8.370 nan 0.000 0.465 1487 L N 1.404 122.575 121.223 -0.087 0.000 1.976 1487 L HA -0.121 4.125 4.340 -0.156 0.000 0.209 1487 L C 2.194 178.963 176.870 -0.168 0.000 1.071 1487 L CA 1.699 56.450 54.840 -0.148 0.000 0.746 1487 L CB -0.457 41.533 42.059 -0.114 0.000 0.890 1487 L HN -0.169 nan 8.230 nan 0.000 0.432 1488 R N -0.320 120.139 120.500 -0.068 0.000 2.103 1488 R HA -0.181 4.065 4.340 -0.156 0.000 0.242 1488 R C 2.062 178.276 176.300 -0.143 0.000 1.142 1488 R CA 1.577 57.620 56.100 -0.095 0.000 0.960 1488 R CB -0.645 29.621 30.300 -0.057 0.000 0.858 1488 R HN 0.511 nan 8.270 nan 0.000 0.439 1489 N N 0.516 119.143 118.700 -0.121 0.000 2.166 1489 N HA -0.120 4.526 4.740 -0.156 0.000 0.186 1489 N C 1.610 177.019 175.510 -0.167 0.000 1.019 1489 N CA 1.405 54.381 53.050 -0.122 0.000 0.856 1489 N CB -0.269 38.163 38.487 -0.091 0.000 0.993 1489 N HN 0.237 nan 8.380 nan 0.000 0.426 1490 A N 1.230 123.923 122.820 -0.211 0.000 1.873 1490 A HA -0.038 4.188 4.320 -0.156 0.000 0.215 1490 A C 2.377 179.746 177.584 -0.359 0.000 1.186 1490 A CA 0.859 52.730 52.037 -0.277 0.000 0.616 1490 A CB -0.731 18.072 19.000 -0.328 0.000 0.823 1490 A HN 0.200 nan 8.150 nan 0.000 0.442 1491 L N -0.835 120.141 121.223 -0.413 0.000 2.017 1491 L HA -0.265 3.981 4.340 -0.156 0.000 0.208 1491 L C 2.927 179.460 176.870 -0.561 0.000 1.073 1491 L CA 1.947 56.439 54.840 -0.581 0.000 0.745 1491 L CB -0.633 41.070 42.059 -0.594 0.000 0.894 1491 L HN 0.603 nan 8.230 nan 0.000 0.432 1492 Q N 0.150 119.779 119.800 -0.284 0.000 2.050 1492 Q HA -0.243 4.003 4.340 -0.156 0.000 0.202 1492 Q C 2.306 178.235 176.000 -0.118 0.000 0.980 1492 Q CA 1.939 57.665 55.803 -0.129 0.000 0.840 1492 Q CB -0.099 28.589 28.738 -0.083 0.000 0.898 1492 Q HN 0.508 nan 8.270 nan 0.000 0.424 1493 A N 0.749 123.480 122.820 -0.148 0.000 1.902 1493 A HA -0.170 4.056 4.320 -0.156 0.000 0.217 1493 A C 2.073 179.592 177.584 -0.108 0.000 1.181 1493 A CA 1.281 53.251 52.037 -0.113 0.000 0.623 1493 A CB -0.756 18.174 19.000 -0.116 0.000 0.818 1493 A HN 0.466 nan 8.150 nan 0.000 0.443 1494 L N -1.567 119.543 121.223 -0.188 0.000 2.042 1494 L HA -0.242 4.004 4.340 -0.156 0.000 0.210 1494 L C 2.556 179.394 176.870 -0.052 0.000 1.076 1494 L CA 1.840 56.591 54.840 -0.148 0.000 0.749 1494 L CB -0.706 41.182 42.059 -0.286 0.000 0.893 1494 L HN 0.556 nan 8.230 nan 0.000 0.432 1495 H N -0.892 118.134 119.070 -0.074 0.000 2.389 1495 H HA -0.163 4.299 4.556 -0.157 0.000 0.299 1495 H C 2.264 177.560 175.328 -0.054 0.000 1.081 1495 H CA 0.919 56.927 56.048 -0.066 0.000 1.345 1495 H CB 0.204 29.915 29.762 -0.085 0.000 1.393 1495 H HN 0.190 nan 8.280 nan 0.000 0.520 1496 K N 0.892 121.331 120.400 0.065 0.000 2.097 1496 K HA -0.091 4.135 4.320 -0.156 0.000 0.206 1496 K C 2.054 178.658 176.600 0.005 0.000 1.049 1496 K CA 0.993 57.289 56.287 0.016 0.000 0.933 1496 K CB -0.022 32.471 32.500 -0.012 0.000 0.717 1496 K HN 0.240 nan 8.250 nan 0.000 0.442 1497 A N -0.058 122.765 122.820 0.005 0.000 2.238 1497 A HA 0.160 4.386 4.320 -0.156 0.000 0.208 1497 A C 1.216 178.812 177.584 0.021 0.000 1.177 1497 A CA 0.901 52.939 52.037 0.001 0.000 0.804 1497 A CB -0.302 18.697 19.000 -0.003 0.000 0.823 1497 A HN 0.524 nan 8.150 nan 0.000 0.482 1498 G N -1.779 107.044 108.800 0.038 0.000 2.136 1498 G HA2 -0.179 3.687 3.960 -0.156 0.000 0.242 1498 G HA3 -0.179 3.687 3.960 -0.156 0.000 0.242 1498 G C -0.155 174.782 174.900 0.063 0.000 0.989 1498 G CA 0.321 45.444 45.100 0.038 0.000 0.682 1498 G HN 0.351 nan 8.290 nan 0.000 0.522 1499 L N 0.450 121.730 121.223 0.095 0.000 2.357 1499 L HA 0.542 4.788 4.340 -0.156 0.000 0.273 1499 L C 0.962 177.926 176.870 0.157 0.000 1.080 1499 L CA -0.234 54.678 54.840 0.120 0.000 0.803 1499 L CB 1.217 43.365 42.059 0.148 0.000 1.174 1499 L HN 0.360 nan 8.230 nan 0.000 0.443 1500 Q N 1.007 120.886 119.800 0.132 0.000 2.318 1500 Q HA 0.759 5.005 4.340 -0.156 0.000 0.222 1500 Q C -0.804 175.278 176.000 0.138 0.000 1.003 1500 Q CA -0.696 55.195 55.803 0.147 0.000 0.936 1500 Q CB 1.300 30.085 28.738 0.078 0.000 1.204 1500 Q HN 0.735 nan 8.270 nan 0.000 0.524 1501 A N 1.299 124.206 122.820 0.146 0.000 2.393 1501 A HA 0.622 4.848 4.320 -0.156 0.000 0.306 1501 A C -1.098 176.647 177.584 0.268 0.000 1.050 1501 A CA -0.627 51.498 52.037 0.147 0.000 0.724 1501 A CB 0.892 19.861 19.000 -0.051 0.000 1.248 1501 A HN 0.661 nan 8.150 nan 0.000 0.424 1502 I N 2.063 122.770 120.570 0.229 0.000 2.354 1502 I HA 0.486 4.562 4.170 -0.156 0.000 0.292 1502 I C 0.663 176.728 176.117 -0.086 0.000 0.989 1502 I CA -0.333 61.024 61.300 0.095 0.000 1.188 1502 I CB 1.876 39.881 38.000 0.008 0.000 1.342 1502 I HN 0.752 nan 8.210 nan 0.000 0.457 1503 A N 5.166 127.732 122.820 -0.423 0.000 2.309 1503 A HA 0.213 4.440 4.320 -0.156 0.000 0.290 1503 A C -0.274 177.035 177.584 -0.458 0.000 1.206 1503 A CA -0.457 50.975 52.037 -1.009 0.000 0.850 1503 A CB 0.219 18.360 19.000 -1.432 0.000 1.118 1503 A HN 0.657 nan 8.150 nan 0.000 0.523 1504 D N 2.558 122.725 120.400 -0.388 0.000 2.359 1504 D HA 0.110 4.656 4.640 -0.156 0.000 0.250 1504 D C -0.971 175.344 176.300 0.024 0.000 1.264 1504 D CA 0.240 54.168 54.000 -0.120 0.000 0.911 1504 D CB 0.212 40.925 40.800 -0.145 0.000 1.056 1504 D HN 0.502 nan 8.370 nan 0.000 0.499 1505 W N 4.896 126.079 121.300 -0.194 0.000 2.332 1505 W HA 0.329 4.886 4.660 -0.173 0.000 0.306 1505 W C -0.860 175.619 176.519 -0.067 0.000 1.149 1505 W CA -0.921 56.220 57.345 -0.340 0.000 1.271 1505 W CB 0.739 30.015 29.460 -0.307 0.000 1.243 1505 W HN 0.043 nan 8.180 nan 0.000 0.459 1506 V N 10.325 130.182 119.914 -0.096 0.000 2.326 1506 V HA 0.144 4.170 4.120 -0.156 0.000 0.254 1506 V C -1.302 174.919 176.094 0.213 0.000 1.022 1506 V CA -0.882 61.548 62.300 0.217 0.000 1.074 1506 V CB 0.743 32.922 31.823 0.592 0.000 1.305 1506 V HN 0.483 nan 8.190 nan 0.000 0.506 1507 P HA -0.035 nan 4.420 nan 0.000 0.241 1507 P C 1.002 178.221 177.300 -0.135 0.000 1.191 1507 P CA 0.642 63.635 63.100 -0.179 0.000 0.771 1507 P CB 0.681 32.021 31.700 -0.600 0.000 0.929 1508 D N 0.042 120.384 120.400 -0.097 0.000 2.117 1508 D HA -0.116 4.430 4.640 -0.156 0.000 0.197 1508 D C 0.964 177.186 176.300 -0.131 0.000 0.987 1508 D CA 1.238 55.170 54.000 -0.112 0.000 0.829 1508 D CB 0.237 40.987 40.800 -0.082 0.000 0.961 1508 D HN 0.145 nan 8.370 nan 0.000 0.460 1509 Q N -0.624 119.089 119.800 -0.144 0.000 2.630 1509 Q HA 0.391 4.637 4.340 -0.156 0.000 0.295 1509 Q C -1.492 174.307 176.000 -0.335 0.000 0.944 1509 Q CA -0.819 54.852 55.803 -0.220 0.000 0.766 1509 Q CB 0.928 29.513 28.738 -0.255 0.000 1.471 1509 Q HN 0.199 nan 8.270 nan 0.000 0.416 1510 I N 0.423 120.778 120.570 -0.358 0.000 2.865 1510 I HA 0.533 4.609 4.170 -0.156 0.000 0.302 1510 I C -1.235 174.719 176.117 -0.272 0.000 1.140 1510 I CA -0.944 60.141 61.300 -0.359 0.000 1.021 1510 I CB 2.381 40.183 38.000 -0.329 0.000 1.233 1510 I HN 0.581 nan 8.210 nan 0.000 0.427 1511 Y N 1.813 121.930 120.300 -0.304 0.000 2.549 1511 Y HA 0.319 4.773 4.550 -0.161 0.000 0.339 1511 Y C 0.621 176.468 175.900 -0.090 0.000 1.053 1511 Y CA -0.711 57.277 58.100 -0.185 0.000 1.105 1511 Y CB 1.438 39.814 38.460 -0.140 0.000 1.258 1511 Y HN 0.676 nan 8.280 nan 0.000 0.478 1512 N N 1.235 119.994 118.700 0.099 0.000 2.714 1512 N HA -0.207 4.439 4.740 -0.156 0.000 0.253 1512 N C -1.770 173.782 175.510 0.071 0.000 1.024 1512 N CA 0.370 53.469 53.050 0.082 0.000 0.726 1512 N CB -1.009 37.548 38.487 0.117 0.000 0.908 1512 N HN 0.574 nan 8.380 nan 0.000 0.542 1513 L N 0.751 122.000 121.223 0.044 0.000 2.313 1513 L HA 0.272 4.518 4.340 -0.156 0.000 0.282 1513 L C -0.808 176.105 176.870 0.071 0.000 1.092 1513 L CA -1.396 53.495 54.840 0.085 0.000 0.831 1513 L CB 0.833 42.953 42.059 0.102 0.000 1.159 1513 L HN 0.153 nan 8.230 nan 0.000 0.442 1514 P HA 0.021 nan 4.420 nan 0.000 0.245 1514 P C 0.578 177.905 177.300 0.045 0.000 1.206 1514 P CA 0.237 63.368 63.100 0.050 0.000 0.781 1514 P CB 0.394 32.122 31.700 0.047 0.000 0.994 1515 G N 0.915 109.753 108.800 0.065 0.000 2.327 1515 G HA2 0.259 4.126 3.960 -0.156 0.000 0.302 1515 G HA3 0.259 4.126 3.960 -0.156 0.000 0.302 1515 G C -0.352 174.582 174.900 0.056 0.000 1.113 1515 G CA -0.369 44.764 45.100 0.055 0.000 0.921 1515 G HN 0.013 nan 8.290 nan 0.000 0.425 1516 K N 1.215 121.637 120.400 0.036 0.000 2.258 1516 K HA 0.381 4.607 4.320 -0.156 0.000 0.264 1516 K C 0.006 176.632 176.600 0.044 0.000 1.007 1516 K CA 0.008 56.320 56.287 0.041 0.000 0.941 1516 K CB 1.170 33.691 32.500 0.034 0.000 0.966 1516 K HN 0.657 nan 8.250 nan 0.000 0.480 1517 E N 0.348 120.582 120.200 0.057 0.000 2.352 1517 E HA 0.409 4.665 4.350 -0.156 0.000 0.280 1517 E C -1.915 174.732 176.600 0.077 0.000 0.930 1517 E CA -0.783 55.658 56.400 0.068 0.000 0.765 1517 E CB 1.613 31.367 29.700 0.090 0.000 1.219 1517 E HN 0.630 nan 8.360 nan 0.000 0.434 1518 A N 2.892 125.784 122.820 0.121 0.000 2.289 1518 A HA 0.643 4.869 4.320 -0.156 0.000 0.298 1518 A C -0.944 176.651 177.584 0.018 0.000 1.208 1518 A CA -0.384 51.675 52.037 0.038 0.000 0.845 1518 A CB 0.870 19.885 19.000 0.025 0.000 1.125 1518 A HN 0.304 nan 8.150 nan 0.000 0.517 1519 V N 2.095 121.939 119.914 -0.116 0.000 2.808 1519 V HA 0.348 4.374 4.120 -0.156 0.000 0.308 1519 V C 0.075 176.060 176.094 -0.181 0.000 1.099 1519 V CA -0.625 61.547 62.300 -0.213 0.000 0.920 1519 V CB 2.346 33.918 31.823 -0.419 0.000 1.014 1519 V HN 0.915 nan 8.190 nan 0.000 0.425 1520 T N 4.592 119.031 114.554 -0.192 0.000 2.814 1520 T HA 0.493 4.749 4.350 -0.156 0.000 0.297 1520 T C -0.076 174.621 174.700 -0.004 0.000 0.956 1520 T CA -0.039 61.995 62.100 -0.109 0.000 1.123 1520 T CB 0.872 69.671 68.868 -0.115 0.000 0.902 1520 T HN 0.858 nan 8.240 nan 0.000 0.528 1521 V N 1.186 121.127 119.914 0.046 0.000 3.141 1521 V HA 0.942 4.968 4.120 -0.156 0.000 0.312 1521 V C -0.564 175.563 176.094 0.054 0.000 1.157 1521 V CA -0.776 61.579 62.300 0.091 0.000 1.041 1521 V CB 2.518 34.380 31.823 0.065 0.000 1.071 1521 V HN 0.727 nan 8.190 nan 0.000 0.441 1522 T N 1.639 116.218 114.554 0.041 0.000 2.928 1522 T HA 0.523 4.779 4.350 -0.156 0.000 0.296 1522 T C -0.566 174.128 174.700 -0.010 0.000 1.000 1522 T CA -0.505 61.615 62.100 0.034 0.000 0.989 1522 T CB 1.427 70.337 68.868 0.070 0.000 1.005 1522 T HN 1.071 nan 8.240 nan 0.000 0.442 1523 R N 2.807 123.292 120.500 -0.025 0.000 2.538 1523 R HA 0.373 4.619 4.340 -0.156 0.000 0.282 1523 R C 0.002 176.345 176.300 0.071 0.000 1.009 1523 R CA 0.402 56.462 56.100 -0.066 0.000 1.063 1523 R CB -0.138 30.108 30.300 -0.090 0.000 0.945 1523 R HN 0.770 nan 8.270 nan 0.000 0.414 1524 S N 2.068 117.794 115.700 0.044 0.000 2.579 1524 S HA 0.432 4.808 4.470 -0.156 0.000 0.272 1524 S C -0.967 173.824 174.600 0.318 0.000 1.141 1524 S CA -0.773 57.554 58.200 0.212 0.000 0.843 1524 S CB 1.315 64.592 63.200 0.129 0.000 1.122 1524 S HN 0.652 nan 8.310 nan 0.000 0.468 1525 D N 0.242 120.930 120.400 0.480 0.000 2.398 1525 D HA 0.144 4.690 4.640 -0.156 0.000 0.264 1525 D C 0.813 177.395 176.300 0.470 0.000 1.263 1525 D CA 0.111 54.426 54.000 0.525 0.000 1.037 1525 D CB -0.127 40.971 40.800 0.497 0.000 1.101 1525 D HN 0.605 nan 8.370 nan 0.000 0.551 1526 D N -2.461 118.233 120.400 0.490 0.000 2.371 1526 D HA -0.185 4.361 4.640 -0.156 0.000 0.221 1526 D C 0.860 177.273 176.300 0.187 0.000 0.986 1526 D CA 1.044 55.260 54.000 0.360 0.000 0.899 1526 D CB -0.535 40.485 40.800 0.367 0.000 0.902 1526 D HN 0.539 nan 8.370 nan 0.000 0.530 1527 H N -0.819 118.336 119.070 0.141 0.000 2.594 1527 H HA 0.314 4.776 4.556 -0.156 0.000 0.279 1527 H C 1.177 176.559 175.328 0.090 0.000 1.042 1527 H CA 0.159 56.197 56.048 -0.015 0.000 1.177 1527 H CB 0.807 30.466 29.762 -0.171 0.000 1.524 1527 H HN 0.329 nan 8.280 nan 0.000 0.537 1528 G N 1.983 111.011 108.800 0.380 0.000 2.153 1528 G HA2 -0.287 3.579 3.960 -0.156 0.000 0.252 1528 G HA3 -0.287 3.579 3.960 -0.156 0.000 0.252 1528 G C 0.307 175.354 174.900 0.245 0.000 0.994 1528 G CA 0.581 45.909 45.100 0.379 0.000 0.698 1528 G HN 0.312 nan 8.290 nan 0.000 0.521 1529 T N 2.043 116.746 114.554 0.248 0.000 2.779 1529 T HA 0.447 4.703 4.350 -0.156 0.000 0.296 1529 T C 0.921 175.734 174.700 0.189 0.000 0.938 1529 T CA 0.480 62.694 62.100 0.191 0.000 1.119 1529 T CB 1.098 70.073 68.868 0.178 0.000 0.891 1529 T HN 0.302 nan 8.240 nan 0.000 0.526 1530 T N 4.245 118.886 114.554 0.146 0.000 2.891 1530 T HA -0.086 4.170 4.350 -0.156 0.000 0.296 1530 T C 0.082 174.885 174.700 0.172 0.000 1.025 1530 T CA 0.088 62.279 62.100 0.152 0.000 1.149 1530 T CB 0.162 69.091 68.868 0.101 0.000 1.007 1530 T HN 0.511 nan 8.240 nan 0.000 0.528 1531 W N 4.619 125.932 121.300 0.022 0.000 2.507 1531 W HA 0.083 4.647 4.660 -0.158 0.000 0.334 1531 W C 0.700 177.225 176.519 0.010 0.000 1.165 1531 W CA -0.795 56.558 57.345 0.013 0.000 1.460 1531 W CB 0.264 29.720 29.460 -0.007 0.000 1.404 1531 W HN 0.804 nan 8.180 nan 0.000 0.435 1532 E N 2.396 122.540 120.200 -0.094 0.000 2.118 1532 E HA -0.181 4.075 4.350 -0.156 0.000 0.195 1532 E C 2.052 178.666 176.600 0.023 0.000 0.992 1532 E CA 1.586 57.965 56.400 -0.036 0.000 0.804 1532 E CB -0.343 29.299 29.700 -0.097 0.000 0.741 1532 E HN 0.524 nan 8.360 nan 0.000 0.458 1533 V N -0.949 118.978 119.914 0.022 0.000 3.510 1533 V HA 0.093 4.119 4.120 -0.156 0.000 0.270 1533 V C 1.084 177.297 176.094 0.199 0.000 1.201 1533 V CA 0.285 62.649 62.300 0.106 0.000 1.166 1533 V CB -0.279 31.600 31.823 0.094 0.000 0.825 1533 V HN -0.028 nan 8.190 nan 0.000 0.484 1534 S N 2.019 117.889 115.700 0.283 0.000 2.537 1534 S HA 0.453 4.829 4.470 -0.156 0.000 0.275 1534 S C -0.906 173.768 174.600 0.123 0.000 1.272 1534 S CA -1.014 57.310 58.200 0.207 0.000 1.050 1534 S CB 1.416 64.739 63.200 0.205 0.000 0.961 1534 S HN 0.430 nan 8.310 nan 0.000 0.496 1535 P HA 0.164 nan 4.420 nan 0.000 0.245 1535 P C 0.017 177.368 177.300 0.086 0.000 1.212 1535 P CA 0.337 63.484 63.100 0.078 0.000 0.774 1535 P CB -0.108 31.631 31.700 0.064 0.000 0.999 1536 I N 1.038 121.658 120.570 0.083 0.000 2.227 1536 I HA 0.142 4.219 4.170 -0.156 0.000 0.297 1536 I C 0.388 176.551 176.117 0.076 0.000 1.173 1536 I CA 0.178 61.528 61.300 0.082 0.000 1.356 1536 I CB -0.327 37.699 38.000 0.043 0.000 1.485 1536 I HN -0.256 nan 8.210 nan 0.000 0.604 1537 K N 5.239 125.692 120.400 0.088 0.000 2.579 1537 K HA 0.311 4.537 4.320 -0.156 0.000 0.250 1537 K C -0.440 176.210 176.600 0.083 0.000 0.952 1537 K CA -0.810 55.525 56.287 0.081 0.000 0.857 1537 K CB 1.360 33.907 32.500 0.078 0.000 1.123 1537 K HN 0.380 nan 8.250 nan 0.000 0.433 1538 N N 0.490 119.234 118.700 0.074 0.000 2.725 1538 N HA -0.159 4.487 4.740 -0.156 0.000 0.251 1538 N C -0.967 174.598 175.510 0.092 0.000 1.031 1538 N CA 0.582 53.671 53.050 0.066 0.000 0.720 1538 N CB -1.008 37.515 38.487 0.060 0.000 0.930 1538 N HN 0.167 nan 8.380 nan 0.000 0.543 1539 V N 0.691 120.668 119.914 0.106 0.000 2.555 1539 V HA 0.347 4.373 4.120 -0.156 0.000 0.302 1539 V C 0.768 176.915 176.094 0.089 0.000 1.038 1539 V CA -0.888 61.518 62.300 0.176 0.000 0.887 1539 V CB 2.367 34.318 31.823 0.213 0.000 0.991 1539 V HN 0.035 nan 8.190 nan 0.000 0.434 1540 V N 5.348 125.232 119.914 -0.050 0.000 2.585 1540 V HA 0.195 4.221 4.120 -0.156 0.000 0.296 1540 V C -0.567 175.539 176.094 0.021 0.000 1.035 1540 V CA 0.216 62.351 62.300 -0.274 0.000 1.084 1540 V CB 0.266 31.521 31.823 -0.946 0.000 0.953 1540 V HN 0.778 nan 8.190 nan 0.000 0.483 1541 Y N 4.446 124.679 120.300 -0.111 0.000 2.504 1541 Y HA 0.534 4.991 4.550 -0.156 0.000 0.344 1541 Y C -0.495 175.412 175.900 0.011 0.000 1.023 1541 Y CA -1.230 56.880 58.100 0.017 0.000 1.020 1541 Y CB 1.600 40.085 38.460 0.042 0.000 1.282 1541 Y HN 0.426 nan 8.280 nan 0.000 0.454 1542 I N 5.541 126.007 120.570 -0.173 0.000 2.347 1542 I HA 0.147 4.223 4.170 -0.156 0.000 0.294 1542 I C 0.488 176.659 176.117 0.090 0.000 1.090 1542 I CA -0.006 61.287 61.300 -0.012 0.000 1.314 1542 I CB 0.059 38.103 38.000 0.074 0.000 1.423 1542 I HN 0.673 nan 8.210 nan 0.000 0.503 1543 T N 2.815 117.466 114.554 0.162 0.000 2.944 1543 T HA 0.429 4.685 4.350 -0.156 0.000 0.284 1543 T C 0.112 174.870 174.700 0.096 0.000 1.010 1543 T CA -0.848 61.361 62.100 0.182 0.000 1.025 1543 T CB 1.375 70.335 68.868 0.153 0.000 1.079 1543 T HN 0.410 nan 8.240 nan 0.000 0.516 1544 N N 0.764 119.506 118.700 0.069 0.000 2.936 1544 N HA 0.367 5.013 4.740 -0.156 0.000 0.243 1544 N C 0.416 175.942 175.510 0.027 0.000 1.149 1544 N CA -0.475 52.597 53.050 0.038 0.000 0.914 1544 N CB 0.835 39.328 38.487 0.010 0.000 1.179 1544 N HN 0.835 nan 8.380 nan 0.000 0.502 1545 T N -2.333 112.277 114.554 0.094 0.000 3.043 1545 T HA 0.339 4.595 4.350 -0.156 0.000 0.272 1545 T C 0.413 175.318 174.700 0.341 0.000 0.990 1545 T CA -0.022 62.188 62.100 0.183 0.000 0.897 1545 T CB 0.191 69.228 68.868 0.281 0.000 1.111 1545 T HN 0.127 nan 8.240 nan 0.000 0.529 1546 I N 2.102 122.811 120.570 0.231 0.000 2.339 1546 I HA 0.668 4.744 4.170 -0.156 0.000 0.290 1546 I C 0.857 177.104 176.117 0.217 0.000 0.994 1546 I CA -0.263 61.178 61.300 0.236 0.000 1.191 1546 I CB 1.313 39.397 38.000 0.139 0.000 1.343 1546 I HN 0.493 nan 8.210 nan 0.000 0.458 1547 G N 3.586 112.553 108.800 0.279 0.000 2.334 1547 G HA2 0.402 4.268 3.960 -0.156 0.000 0.249 1547 G HA3 0.402 4.268 3.960 -0.156 0.000 0.249 1547 G C 0.052 175.167 174.900 0.360 0.000 1.327 1547 G CA 0.042 45.285 45.100 0.239 0.000 0.979 1547 G HN 0.981 nan 8.290 nan 0.000 0.471 1548 G N -1.574 107.420 108.800 0.323 0.000 2.870 1548 G HA2 0.613 4.479 3.960 -0.156 0.000 0.216 1548 G HA3 0.613 4.479 3.960 -0.156 0.000 0.216 1548 G C 1.693 176.776 174.900 0.306 0.000 0.973 1548 G CA 1.262 46.618 45.100 0.428 0.000 0.807 1548 G HN 2.965 nan 8.290 nan 0.000 0.573 1549 G N -0.125 108.801 108.800 0.210 0.000 2.795 1549 G HA2 0.071 3.937 3.960 -0.156 0.000 0.664 1549 G HA3 0.071 3.937 3.960 -0.156 0.000 0.664 1549 G C 0.372 175.323 174.900 0.085 0.000 1.381 1549 G CA 0.393 45.596 45.100 0.170 0.000 0.853 1549 G HN 0.395 nan 8.290 nan 0.000 0.545 1550 E N -0.464 119.728 120.200 -0.013 0.000 2.274 1550 E HA -0.021 4.235 4.350 -0.156 0.000 0.194 1550 E C 2.031 178.441 176.600 -0.316 0.000 0.996 1550 E CA 1.679 57.943 56.400 -0.228 0.000 0.840 1550 E CB -0.072 29.387 29.700 -0.402 0.000 0.772 1550 E HN 0.651 nan 8.360 nan 0.000 0.491 1551 Y N 0.389 120.748 120.300 0.099 0.000 2.347 1551 Y HA -0.058 4.399 4.550 -0.155 0.000 0.294 1551 Y C 2.581 178.479 175.900 -0.003 0.000 1.117 1551 Y CA 0.716 58.900 58.100 0.140 0.000 1.184 1551 Y CB -0.246 38.443 38.460 0.382 0.000 1.047 1551 Y HN 0.004 nan 8.280 nan 0.000 0.546 1552 Q N 1.235 121.140 119.800 0.176 0.000 2.112 1552 Q HA -0.204 4.042 4.340 -0.156 0.000 0.206 1552 Q C 1.986 177.864 176.000 -0.202 0.000 0.987 1552 Q CA 1.907 57.693 55.803 -0.027 0.000 0.858 1552 Q CB -0.109 28.758 28.738 0.215 0.000 0.905 1552 Q HN 0.287 nan 8.270 nan 0.000 0.420 1553 K N -0.140 120.172 120.400 -0.146 0.000 2.026 1553 K HA -0.183 4.043 4.320 -0.156 0.000 0.208 1553 K C 2.126 178.561 176.600 -0.273 0.000 1.048 1553 K CA 1.544 57.714 56.287 -0.194 0.000 0.929 1553 K CB -0.154 32.251 32.500 -0.159 0.000 0.713 1553 K HN 0.157 nan 8.250 nan 0.000 0.439 1554 K N -0.338 119.857 120.400 -0.342 0.000 2.057 1554 K HA -0.153 4.073 4.320 -0.156 0.000 0.206 1554 K C 1.433 177.690 176.600 -0.571 0.000 1.050 1554 K CA 1.486 57.479 56.287 -0.491 0.000 0.935 1554 K CB 0.064 32.169 32.500 -0.658 0.000 0.715 1554 K HN 0.113 nan 8.250 nan 0.000 0.439 1555 Y N -0.205 119.866 120.300 -0.381 0.000 2.462 1555 Y HA 0.282 4.739 4.550 -0.155 0.000 0.253 1555 Y C 0.964 176.484 175.900 -0.633 0.000 1.095 1555 Y CA -0.136 57.654 58.100 -0.516 0.000 1.283 1555 Y CB 0.137 38.268 38.460 -0.548 0.000 1.138 1555 Y HN 0.009 nan 8.280 nan 0.000 0.522 1556 G N 0.459 108.956 108.800 -0.504 0.000 2.195 1556 G HA2 0.293 4.159 3.960 -0.156 0.000 0.264 1556 G HA3 0.293 4.159 3.960 -0.156 0.000 0.264 1556 G C 1.220 175.986 174.900 -0.223 0.000 1.148 1556 G CA 0.642 45.534 45.100 -0.348 0.000 1.023 1556 G HN 0.693 nan 8.290 nan 0.000 0.429 1557 G N 2.322 111.061 108.800 -0.101 0.000 2.189 1557 G HA2 -0.277 3.589 3.960 -0.156 0.000 0.267 1557 G HA3 -0.277 3.589 3.960 -0.156 0.000 0.267 1557 G C 0.994 175.813 174.900 -0.136 0.000 0.975 1557 G CA 0.626 45.683 45.100 -0.071 0.000 0.644 1557 G HN 0.628 nan 8.290 nan 0.000 0.537 1558 E N -0.603 119.417 120.200 -0.300 0.000 2.358 1558 E HA 0.103 4.359 4.350 -0.156 0.000 0.195 1558 E C 1.536 177.794 176.600 -0.570 0.000 1.010 1558 E CA 0.627 56.731 56.400 -0.493 0.000 0.856 1558 E CB -0.171 29.129 29.700 -0.667 0.000 0.795 1558 E HN 0.647 nan 8.360 nan 0.000 0.504 1559 F N -0.453 119.520 119.950 0.039 0.000 2.695 1559 F HA 0.198 4.631 4.527 -0.156 0.000 0.303 1559 F C 1.876 177.580 175.800 -0.161 0.000 1.091 1559 F CA -0.122 57.816 58.000 -0.102 0.000 1.300 1559 F CB -0.291 38.620 39.000 -0.147 0.000 1.071 1559 F HN -0.101 nan 8.300 nan 0.000 0.578 1560 L N -0.201 121.044 121.223 0.038 0.000 2.083 1560 L HA -0.192 4.054 4.340 -0.156 0.000 0.209 1560 L C 2.021 178.833 176.870 -0.096 0.000 1.083 1560 L CA 1.156 56.024 54.840 0.047 0.000 0.752 1560 L CB -0.470 41.626 42.059 0.062 0.000 0.899 1560 L HN 0.036 nan 8.230 nan 0.000 0.433 1561 D N -0.349 119.982 120.400 -0.114 0.000 2.092 1561 D HA -0.166 4.380 4.640 -0.156 0.000 0.193 1561 D C 2.181 178.400 176.300 -0.133 0.000 0.994 1561 D CA 1.876 55.791 54.000 -0.142 0.000 0.828 1561 D CB -0.295 40.441 40.800 -0.107 0.000 0.963 1561 D HN 0.235 nan 8.370 nan 0.000 0.450 1562 T N 1.172 115.669 114.554 -0.096 0.000 2.720 1562 T HA -0.104 4.153 4.350 -0.156 0.000 0.268 1562 T C 2.250 176.874 174.700 -0.126 0.000 1.037 1562 T CA 0.632 62.671 62.100 -0.101 0.000 1.144 1562 T CB -0.314 68.505 68.868 -0.081 0.000 0.864 1562 T HN 0.106 nan 8.240 nan 0.000 0.444 1563 L N 0.571 121.743 121.223 -0.084 0.000 2.056 1563 L HA -0.131 4.115 4.340 -0.156 0.000 0.207 1563 L C 2.932 179.914 176.870 0.187 0.000 1.078 1563 L CA 1.386 56.314 54.840 0.145 0.000 0.749 1563 L CB -0.523 41.728 42.059 0.319 0.000 0.901 1563 L HN 0.297 nan 8.230 nan 0.000 0.433 1564 Q N -0.449 119.241 119.800 -0.182 0.000 2.124 1564 Q HA -0.228 4.018 4.340 -0.156 0.000 0.202 1564 Q C 2.240 178.133 176.000 -0.178 0.000 0.977 1564 Q CA 1.217 56.746 55.803 -0.457 0.000 0.850 1564 Q CB -0.078 28.202 28.738 -0.763 0.000 0.901 1564 Q HN 0.312 nan 8.270 nan 0.000 0.429 1565 K N 1.162 121.465 120.400 -0.161 0.000 2.001 1565 K HA -0.175 4.051 4.320 -0.156 0.000 0.208 1565 K C 1.664 178.170 176.600 -0.158 0.000 1.048 1565 K CA 1.433 57.641 56.287 -0.132 0.000 0.932 1565 K CB 0.137 32.565 32.500 -0.120 0.000 0.715 1565 K HN 0.239 nan 8.250 nan 0.000 0.437 1566 E N -1.122 118.916 120.200 -0.271 0.000 2.112 1566 E HA -0.109 4.148 4.350 -0.156 0.000 0.190 1566 E C -0.141 176.124 176.600 -0.558 0.000 0.979 1566 E CA 0.740 56.808 56.400 -0.554 0.000 0.814 1566 E CB 0.214 29.343 29.700 -0.952 0.000 0.762 1566 E HN 0.261 nan 8.360 nan 0.000 0.460 1567 Y N -0.310 120.060 120.300 0.116 0.000 2.511 1567 Y HA 0.228 4.685 4.550 -0.154 0.000 0.356 1567 Y C -2.025 174.018 175.900 0.238 0.000 1.002 1567 Y CA -2.657 55.533 58.100 0.150 0.000 1.127 1567 Y CB 0.742 39.304 38.460 0.169 0.000 1.137 1567 Y HN 0.011 nan 8.280 nan 0.000 0.652 1568 P HA -0.222 nan 4.420 nan 0.000 0.221 1568 P C 1.253 178.750 177.300 0.328 0.000 1.145 1568 P CA 1.400 64.659 63.100 0.265 0.000 0.795 1568 P CB 0.419 32.187 31.700 0.115 0.000 0.775 1569 Q N 0.244 120.194 119.800 0.249 0.000 2.291 1569 Q HA -0.091 4.156 4.340 -0.156 0.000 0.205 1569 Q C 2.057 178.141 176.000 0.140 0.000 0.970 1569 Q CA 1.089 56.992 55.803 0.166 0.000 0.876 1569 Q CB -1.355 27.451 28.738 0.113 0.000 0.935 1569 Q HN 0.315 nan 8.270 nan 0.000 0.455 1570 L N -0.527 120.792 121.223 0.160 0.000 2.191 1570 L HA -0.048 4.198 4.340 -0.156 0.000 0.212 1570 L C 1.577 178.301 176.870 -0.242 0.000 1.103 1570 L CA 1.007 55.804 54.840 -0.073 0.000 0.769 1570 L CB -0.439 41.476 42.059 -0.240 0.000 0.908 1570 L HN 0.063 nan 8.230 nan 0.000 0.438 1571 F N -0.911 119.108 119.950 0.115 0.000 2.765 1571 F HA 0.012 4.446 4.527 -0.154 0.000 0.302 1571 F C 2.228 178.070 175.800 0.070 0.000 1.111 1571 F CA 0.379 58.438 58.000 0.098 0.000 1.359 1571 F CB -0.072 38.973 39.000 0.076 0.000 1.097 1571 F HN 0.062 nan 8.300 nan 0.000 0.577 1572 S N -2.314 113.476 115.700 0.151 0.000 2.540 1572 S HA 0.121 4.498 4.470 -0.156 0.000 0.222 1572 S C 0.647 175.237 174.600 -0.016 0.000 1.008 1572 S CA -0.424 57.822 58.200 0.076 0.000 0.939 1572 S CB -0.088 63.155 63.200 0.072 0.000 0.865 1572 S HN -0.003 nan 8.310 nan 0.000 0.499 1573 Q N 1.984 121.737 119.800 -0.079 0.000 2.337 1573 Q HA 0.327 4.573 4.340 -0.156 0.000 0.270 1573 Q C -0.558 175.185 176.000 -0.428 0.000 1.002 1573 Q CA 0.146 55.782 55.803 -0.280 0.000 0.888 1573 Q CB 1.208 29.716 28.738 -0.383 0.000 1.222 1573 Q HN 0.231 nan 8.270 nan 0.000 0.400 1574 V N 4.536 124.201 119.914 -0.415 0.000 2.394 1574 V HA 0.225 4.252 4.120 -0.156 0.000 0.282 1574 V C -0.588 175.219 176.094 -0.478 0.000 1.031 1574 V CA -0.604 61.509 62.300 -0.313 0.000 0.881 1574 V CB 0.372 32.127 31.823 -0.113 0.000 0.982 1574 V HN 0.553 nan 8.190 nan 0.000 0.451 1575 Y N 6.845 127.166 120.300 0.035 0.000 2.320 1575 Y HA 0.358 4.815 4.550 -0.154 0.000 0.324 1575 Y C -1.165 174.772 175.900 0.061 0.000 1.190 1575 Y CA -2.169 55.957 58.100 0.043 0.000 1.215 1575 Y CB 0.985 39.460 38.460 0.026 0.000 1.221 1575 Y HN 0.419 nan 8.280 nan 0.000 0.486 1576 P HA -0.084 nan 4.420 nan 0.000 0.224 1576 P C 1.090 178.476 177.300 0.143 0.000 1.157 1576 P CA 1.005 64.200 63.100 0.158 0.000 0.799 1576 P CB 0.485 32.291 31.700 0.177 0.000 0.809 1577 V N 1.105 121.107 119.914 0.147 0.000 2.273 1577 V HA -0.148 3.878 4.120 -0.156 0.000 0.242 1577 V C 2.909 179.097 176.094 0.157 0.000 1.035 1577 V CA 2.739 65.111 62.300 0.120 0.000 1.013 1577 V CB -1.983 29.890 31.823 0.083 0.000 0.652 1577 V HN 0.250 nan 8.190 nan 0.000 0.452 1578 T N -2.534 112.119 114.554 0.165 0.000 2.951 1578 T HA -0.188 4.068 4.350 -0.156 0.000 0.268 1578 T C 1.108 175.957 174.700 0.248 0.000 1.073 1578 T CA 1.025 63.263 62.100 0.230 0.000 1.134 1578 T CB -0.311 68.576 68.868 0.032 0.000 0.884 1578 T HN 0.567 nan 8.240 nan 0.000 0.479 1579 Q N 0.459 120.365 119.800 0.175 0.000 2.502 1579 Q HA -0.153 4.093 4.340 -0.156 0.000 0.273 1579 Q C -0.024 176.057 176.000 0.135 0.000 1.127 1579 Q CA 0.938 56.823 55.803 0.136 0.000 0.952 1579 Q CB -2.245 26.570 28.738 0.129 0.000 1.333 1579 Q HN 0.687 nan 8.270 nan 0.000 0.494 1580 T N -1.676 112.960 114.554 0.137 0.000 2.671 1580 T HA 0.508 4.764 4.350 -0.156 0.000 0.300 1580 T C -0.432 174.332 174.700 0.107 0.000 1.238 1580 T CA 0.143 62.316 62.100 0.120 0.000 1.020 1580 T CB 1.839 70.815 68.868 0.180 0.000 1.503 1580 T HN 0.251 nan 8.240 nan 0.000 0.497 1581 T N 0.293 114.907 114.554 0.101 0.000 2.847 1581 T HA 0.641 4.897 4.350 -0.156 0.000 0.279 1581 T C 1.059 175.847 174.700 0.146 0.000 0.984 1581 T CA -0.675 61.502 62.100 0.128 0.000 0.988 1581 T CB -0.026 68.909 68.868 0.112 0.000 1.040 1581 T HN 0.781 nan 8.240 nan 0.000 0.528 1582 I N -1.179 119.495 120.570 0.172 0.000 3.194 1582 I HA 0.462 4.539 4.170 -0.156 0.000 0.283 1582 I C -0.277 175.904 176.117 0.107 0.000 1.199 1582 I CA -0.466 60.878 61.300 0.072 0.000 1.328 1582 I CB 0.325 38.330 38.000 0.009 0.000 1.404 1582 I HN 0.519 nan 8.210 nan 0.000 0.618 1583 D N 3.769 124.218 120.400 0.082 0.000 2.375 1583 D HA 0.356 4.902 4.640 -0.156 0.000 0.259 1583 D C -2.021 174.350 176.300 0.117 0.000 1.235 1583 D CA -2.227 51.836 54.000 0.106 0.000 0.924 1583 D CB 1.454 42.293 40.800 0.065 0.000 1.143 1583 D HN 0.357 nan 8.370 nan 0.000 0.529 1584 P HA 0.003 nan 4.420 nan 0.000 0.249 1584 P C 0.961 178.291 177.300 0.050 0.000 1.229 1584 P CA 0.170 63.356 63.100 0.143 0.000 0.788 1584 P CB 0.175 31.998 31.700 0.206 0.000 1.072 1585 S N -1.278 114.451 115.700 0.049 0.000 2.453 1585 S HA 0.022 4.398 4.470 -0.156 0.000 0.231 1585 S C 0.834 175.442 174.600 0.012 0.000 1.005 1585 S CA 0.263 58.477 58.200 0.022 0.000 0.949 1585 S CB -0.805 62.415 63.200 0.034 0.000 0.774 1585 S HN -0.039 nan 8.310 nan 0.000 0.510 1586 V N 1.973 121.898 119.914 0.018 0.000 2.495 1586 V HA 0.423 4.449 4.120 -0.156 0.000 0.298 1586 V C -0.430 175.641 176.094 -0.039 0.000 1.031 1586 V CA -1.019 61.283 62.300 0.003 0.000 0.871 1586 V CB 1.851 33.703 31.823 0.049 0.000 0.988 1586 V HN 0.244 nan 8.190 nan 0.000 0.432 1587 K N 4.582 124.938 120.400 -0.073 0.000 2.172 1587 K HA 0.605 4.831 4.320 -0.156 0.000 0.276 1587 K C -0.785 175.694 176.600 -0.200 0.000 1.013 1587 K CA -0.429 55.782 56.287 -0.127 0.000 0.913 1587 K CB 1.770 34.191 32.500 -0.131 0.000 1.055 1587 K HN 0.530 nan 8.250 nan 0.000 0.461 1588 I N 3.708 124.082 120.570 -0.327 0.000 2.301 1588 I HA 0.074 4.150 4.170 -0.156 0.000 0.292 1588 I C 0.877 176.710 176.117 -0.472 0.000 1.046 1588 I CA 0.029 61.000 61.300 -0.548 0.000 1.282 1588 I CB 0.694 38.072 38.000 -1.036 0.000 1.409 1588 I HN 0.598 nan 8.210 nan 0.000 0.484 1589 K N 3.980 124.162 120.400 -0.364 0.000 2.391 1589 K HA 0.215 4.441 4.320 -0.156 0.000 0.197 1589 K C 0.201 176.649 176.600 -0.253 0.000 1.087 1589 K CA 0.223 56.340 56.287 -0.283 0.000 1.012 1589 K CB 0.869 33.248 32.500 -0.200 0.000 0.925 1589 K HN 0.535 nan 8.250 nan 0.000 0.547 1590 E N -0.263 119.761 120.200 -0.293 0.000 2.321 1590 E HA 0.158 4.414 4.350 -0.156 0.000 0.278 1590 E C -1.627 174.853 176.600 -0.200 0.000 0.902 1590 E CA -0.720 55.585 56.400 -0.158 0.000 0.758 1590 E CB 0.939 30.624 29.700 -0.026 0.000 1.213 1590 E HN -0.033 nan 8.360 nan 0.000 0.426 1591 W N 2.529 123.912 121.300 0.138 0.000 2.202 1591 W HA 0.415 4.983 4.660 -0.153 0.000 0.332 1591 W C 0.485 177.166 176.519 0.270 0.000 1.263 1591 W CA 0.060 57.528 57.345 0.205 0.000 1.223 1591 W CB 1.255 30.873 29.460 0.264 0.000 1.128 1591 W HN 0.510 nan 8.180 nan 0.000 0.573 1592 S N -0.044 115.965 115.700 0.515 0.000 2.656 1592 S HA 0.665 5.041 4.470 -0.156 0.000 0.273 1592 S C 0.430 175.292 174.600 0.437 0.000 1.168 1592 S CA -0.448 57.997 58.200 0.408 0.000 0.817 1592 S CB 1.145 64.463 63.200 0.197 0.000 1.146 1592 S HN 0.734 nan 8.310 nan 0.000 0.475 1593 A N 1.464 124.520 122.820 0.393 0.000 1.986 1593 A HA -0.170 4.056 4.320 -0.156 0.000 0.220 1593 A C 2.030 179.803 177.584 0.315 0.000 1.171 1593 A CA 2.136 54.416 52.037 0.406 0.000 0.640 1593 A CB -1.238 17.753 19.000 -0.014 0.000 0.811 1593 A HN 0.962 nan 8.150 nan 0.000 0.451 1594 K N -2.142 118.302 120.400 0.074 0.000 2.280 1594 K HA -0.159 4.067 4.320 -0.156 0.000 0.202 1594 K C 0.971 177.540 176.600 -0.052 0.000 1.047 1594 K CA 1.577 57.825 56.287 -0.065 0.000 0.942 1594 K CB -0.393 31.951 32.500 -0.261 0.000 0.739 1594 K HN 0.470 nan 8.250 nan 0.000 0.457 1595 Y N 0.046 120.376 120.300 0.050 0.000 2.457 1595 Y HA 0.296 4.753 4.550 -0.156 0.000 0.263 1595 Y C -0.098 175.672 175.900 -0.216 0.000 1.164 1595 Y CA -0.920 57.131 58.100 -0.082 0.000 1.274 1595 Y CB 0.157 38.560 38.460 -0.095 0.000 1.097 1595 Y HN -0.116 nan 8.280 nan 0.000 0.523 1596 F N -0.742 119.444 119.950 0.393 0.000 2.522 1596 F HA 0.369 4.801 4.527 -0.159 0.000 0.324 1596 F C 1.132 177.046 175.800 0.190 0.000 1.077 1596 F CA -1.245 56.906 58.000 0.252 0.000 0.944 1596 F CB 1.004 40.175 39.000 0.283 0.000 1.175 1596 F HN -0.270 nan 8.300 nan 0.000 0.468 1597 N N 0.637 119.465 118.700 0.213 0.000 2.354 1597 N HA 0.197 4.843 4.740 -0.156 0.000 0.179 1597 N C 0.614 176.092 175.510 -0.053 0.000 1.021 1597 N CA 0.956 54.041 53.050 0.058 0.000 0.887 1597 N CB 0.329 38.703 38.487 -0.188 0.000 0.974 1597 N HN 0.844 nan 8.380 nan 0.000 0.437 1598 G N -1.806 106.758 108.800 -0.393 0.000 2.317 1598 G HA2 0.324 4.190 3.960 -0.156 0.000 0.293 1598 G HA3 0.324 4.190 3.960 -0.156 0.000 0.293 1598 G C -1.653 172.838 174.900 -0.681 0.000 1.287 1598 G CA -0.317 44.240 45.100 -0.905 0.000 0.850 1598 G HN 0.059 nan 8.290 nan 0.000 0.515 1599 T N -0.164 114.072 114.554 -0.530 0.000 2.894 1599 T HA 0.538 4.794 4.350 -0.156 0.000 0.309 1599 T C -0.367 174.232 174.700 -0.168 0.000 1.208 1599 T CA -0.308 61.629 62.100 -0.273 0.000 1.016 1599 T CB 1.178 69.964 68.868 -0.137 0.000 1.192 1599 T HN 1.121 nan 8.240 nan 0.000 0.491 1600 N N 3.227 121.852 118.700 -0.125 0.000 2.381 1600 N HA 0.121 4.767 4.740 -0.156 0.000 0.241 1600 N C 0.639 175.978 175.510 -0.285 0.000 1.279 1600 N CA -0.309 52.585 53.050 -0.259 0.000 0.896 1600 N CB 0.127 38.431 38.487 -0.304 0.000 1.118 1600 N HN 0.859 nan 8.380 nan 0.000 0.438 1601 I N -2.638 117.723 120.570 -0.348 0.000 2.752 1601 I HA 0.015 4.091 4.170 -0.156 0.000 0.287 1601 I C 0.571 176.590 176.117 -0.162 0.000 1.188 1601 I CA -0.227 60.930 61.300 -0.238 0.000 1.427 1601 I CB 0.233 38.108 38.000 -0.209 0.000 1.365 1601 I HN 0.437 nan 8.210 nan 0.000 0.585 1602 L N 4.009 125.242 121.223 0.017 0.000 2.766 1602 L HA 0.277 4.523 4.340 -0.156 0.000 0.242 1602 L C 0.458 177.334 176.870 0.011 0.000 1.136 1602 L CA -0.140 54.679 54.840 -0.035 0.000 0.933 1602 L CB -0.740 41.378 42.059 0.098 0.000 1.241 1602 L HN 0.852 nan 8.230 nan 0.000 0.522 1603 H N -0.825 118.268 119.070 0.038 0.000 2.899 1603 H HA -0.185 4.277 4.556 -0.156 0.000 0.282 1603 H C 1.532 176.829 175.328 -0.052 0.000 1.198 1603 H CA 0.119 56.165 56.048 -0.004 0.000 1.140 1603 H CB -0.895 28.854 29.762 -0.023 0.000 1.317 1603 H HN 0.391 nan 8.280 nan 0.000 0.375 1604 R N 0.921 121.423 120.500 0.003 0.000 2.200 1604 R HA 0.169 4.415 4.340 -0.156 0.000 0.208 1604 R C 1.198 177.433 176.300 -0.107 0.000 1.033 1604 R CA 0.697 56.590 56.100 -0.345 0.000 1.000 1604 R CB 0.720 30.514 30.300 -0.844 0.000 0.906 1604 R HN 0.418 nan 8.270 nan 0.000 0.462 1605 G N -0.663 108.209 108.800 0.119 0.000 2.697 1605 G HA2 -0.075 3.791 3.960 -0.156 0.000 0.686 1605 G HA3 -0.075 3.791 3.960 -0.156 0.000 0.686 1605 G C 0.398 175.482 174.900 0.307 0.000 1.179 1605 G CA -0.480 44.753 45.100 0.222 0.000 0.765 1605 G HN 0.142 nan 8.290 nan 0.000 0.649 1606 A N 0.517 123.494 122.820 0.262 0.000 1.948 1606 A HA 0.271 4.497 4.320 -0.156 0.000 0.220 1606 A C 2.422 180.181 177.584 0.292 0.000 1.177 1606 A CA 2.646 54.844 52.037 0.268 0.000 0.636 1606 A CB -0.345 18.750 19.000 0.159 0.000 0.815 1606 A HN 2.393 nan 8.150 nan 0.000 0.449 1607 G N -3.150 105.840 108.800 0.316 0.000 3.605 1607 G HA2 0.261 4.127 3.960 -0.156 0.000 0.277 1607 G HA3 0.261 4.127 3.960 -0.156 0.000 0.277 1607 G C 0.790 176.066 174.900 0.626 0.000 1.093 1607 G CA 0.356 45.683 45.100 0.379 0.000 0.821 1607 G HN 0.392 nan 8.290 nan 0.000 0.532 1608 Y N 1.210 121.737 120.300 0.379 0.000 2.165 1608 Y HA -0.048 4.408 4.550 -0.156 0.000 0.286 1608 Y C 1.250 177.185 175.900 0.058 0.000 1.155 1608 Y CA 0.633 58.826 58.100 0.154 0.000 1.164 1608 Y CB 0.054 38.483 38.460 -0.053 0.000 0.978 1608 Y HN -0.003 nan 8.280 nan 0.000 0.513 1609 V N 3.524 123.509 119.914 0.119 0.000 2.455 1609 V HA 0.048 4.074 4.120 -0.156 0.000 0.273 1609 V C 0.161 176.369 176.094 0.190 0.000 1.045 1609 V CA -0.596 61.746 62.300 0.069 0.000 0.976 1609 V CB 0.487 32.377 31.823 0.112 0.000 0.993 1609 V HN 0.090 nan 8.190 nan 0.000 0.475 1610 L N 6.863 128.165 121.223 0.132 0.000 2.380 1610 L HA 0.507 4.753 4.340 -0.156 0.000 0.273 1610 L C 0.448 177.363 176.870 0.074 0.000 1.138 1610 L CA -0.017 54.929 54.840 0.177 0.000 0.832 1610 L CB 0.347 42.447 42.059 0.068 0.000 1.124 1610 L HN 0.626 nan 8.230 nan 0.000 0.454 1611 R N 1.171 121.638 120.500 -0.053 0.000 2.795 1611 R HA 0.446 4.692 4.340 -0.156 0.000 0.275 1611 R C -0.479 175.628 176.300 -0.321 0.000 0.981 1611 R CA -0.743 55.110 56.100 -0.412 0.000 0.917 1611 R CB 2.091 32.130 30.300 -0.435 0.000 1.202 1611 R HN 0.752 nan 8.270 nan 0.000 0.469 1612 S N 0.551 115.971 115.700 -0.467 0.000 2.617 1612 S HA 0.050 4.426 4.470 -0.156 0.000 0.259 1612 S C 0.787 175.414 174.600 0.045 0.000 1.301 1612 S CA -0.473 57.712 58.200 -0.026 0.000 0.984 1612 S CB 0.600 63.906 63.200 0.177 0.000 0.954 1612 S HN 0.592 nan 8.310 nan 0.000 0.572 1613 N N 2.054 120.826 118.700 0.121 0.000 2.091 1613 N HA -0.154 4.492 4.740 -0.156 0.000 0.193 1613 N C 0.958 176.488 175.510 0.034 0.000 1.021 1613 N CA 1.873 54.971 53.050 0.079 0.000 0.862 1613 N CB -0.702 37.840 38.487 0.092 0.000 1.018 1613 N HN 0.902 nan 8.380 nan 0.000 0.429 1614 D N -1.617 118.800 120.400 0.028 0.000 2.324 1614 D HA 0.167 4.714 4.640 -0.156 0.000 0.235 1614 D C 0.995 177.272 176.300 -0.039 0.000 1.095 1614 D CA 0.517 54.516 54.000 -0.003 0.000 0.871 1614 D CB -0.552 40.246 40.800 -0.004 0.000 0.906 1614 D HN 0.249 nan 8.370 nan 0.000 0.522 1615 G N 0.187 108.942 108.800 -0.075 0.000 2.136 1615 G HA2 -0.332 3.534 3.960 -0.156 0.000 0.242 1615 G HA3 -0.332 3.534 3.960 -0.156 0.000 0.242 1615 G C 0.117 174.875 174.900 -0.237 0.000 0.989 1615 G CA 0.081 45.085 45.100 -0.161 0.000 0.682 1615 G HN 0.580 nan 8.290 nan 0.000 0.522 1616 K N 0.227 120.531 120.400 -0.159 0.000 2.234 1616 K HA 0.534 4.760 4.320 -0.156 0.000 0.282 1616 K C -0.000 176.509 176.600 -0.151 0.000 1.039 1616 K CA -0.738 55.491 56.287 -0.097 0.000 0.928 1616 K CB 0.256 32.699 32.500 -0.095 0.000 1.039 1616 K HN 0.160 nan 8.250 nan 0.000 0.470 1617 Y N 3.074 123.403 120.300 0.048 0.000 2.425 1617 Y HA 0.035 4.491 4.550 -0.156 0.000 0.331 1617 Y C 0.007 175.937 175.900 0.050 0.000 1.157 1617 Y CA -0.057 58.072 58.100 0.049 0.000 1.372 1617 Y CB 0.318 38.945 38.460 0.279 0.000 1.253 1617 Y HN 0.428 nan 8.280 nan 0.000 0.536 1618 Y N 2.157 122.570 120.300 0.188 0.000 2.379 1618 Y HA 0.154 4.610 4.550 -0.157 0.000 0.337 1618 Y C 0.684 176.550 175.900 -0.056 0.000 1.238 1618 Y CA -0.396 57.654 58.100 -0.084 0.000 1.405 1618 Y CB 0.415 38.660 38.460 -0.357 0.000 1.310 1618 Y HN 0.601 nan 8.280 nan 0.000 0.569 1619 N N 1.246 119.949 118.700 0.005 0.000 2.815 1619 N HA 0.149 4.795 4.740 -0.156 0.000 0.253 1619 N C -0.251 175.151 175.510 -0.179 0.000 1.202 1619 N CA -0.433 52.501 53.050 -0.193 0.000 0.925 1619 N CB 1.245 39.544 38.487 -0.314 0.000 1.622 1619 N HN 0.616 nan 8.380 nan 0.000 0.497 1620 L N 1.398 122.508 121.223 -0.189 0.000 2.376 1620 L HA 0.108 4.354 4.340 -0.156 0.000 0.219 1620 L C 1.526 178.330 176.870 -0.111 0.000 1.133 1620 L CA 1.527 56.283 54.840 -0.140 0.000 0.816 1620 L CB -0.349 41.659 42.059 -0.086 0.000 0.933 1620 L HN 0.965 nan 8.230 nan 0.000 0.449 1621 G N -1.337 107.388 108.800 -0.125 0.000 2.205 1621 G HA2 -0.240 3.627 3.960 -0.156 0.000 0.180 1621 G HA3 -0.240 3.627 3.960 -0.156 0.000 0.180 1621 G C 0.807 175.662 174.900 -0.074 0.000 1.004 1621 G CA 0.347 45.398 45.100 -0.083 0.000 0.670 1621 G HN 0.172 nan 8.290 nan 0.000 0.496 1622 T N 0.700 115.195 114.554 -0.098 0.000 2.746 1622 T HA 0.030 4.286 4.350 -0.156 0.000 0.267 1622 T C 2.275 176.955 174.700 -0.035 0.000 1.039 1622 T CA 2.174 64.232 62.100 -0.069 0.000 1.142 1622 T CB -0.132 68.684 68.868 -0.087 0.000 0.866 1622 T HN 0.435 nan 8.240 nan 0.000 0.444 1623 S N -0.883 114.774 115.700 -0.073 0.000 2.604 1623 S HA 0.325 4.701 4.470 -0.156 0.000 0.235 1623 S C 0.547 175.154 174.600 0.013 0.000 1.043 1623 S CA -0.333 57.895 58.200 0.048 0.000 0.997 1623 S CB 1.060 64.403 63.200 0.237 0.000 0.956 1623 S HN 0.481 nan 8.310 nan 0.000 0.535 1624 T N 0.471 114.981 114.554 -0.073 0.000 2.661 1624 T HA 0.285 4.541 4.350 -0.156 0.000 0.305 1624 T C -1.922 172.756 174.700 -0.037 0.000 1.441 1624 T CA -0.562 61.525 62.100 -0.022 0.000 0.999 1624 T CB 1.155 70.046 68.868 0.038 0.000 1.650 1624 T HN 0.104 nan 8.240 nan 0.000 0.489 1625 Q N 1.574 121.371 119.800 -0.004 0.000 2.283 1625 Q HA 0.045 4.292 4.340 -0.156 0.000 0.301 1625 Q C 0.042 176.049 176.000 0.013 0.000 1.063 1625 Q CA 0.330 56.131 55.803 -0.003 0.000 0.952 1625 Q CB 0.366 29.097 28.738 -0.012 0.000 1.166 1625 Q HN 0.543 nan 8.270 nan 0.000 0.381 1626 Q N 3.380 123.174 119.800 -0.012 0.000 2.274 1626 Q HA 0.133 4.379 4.340 -0.156 0.000 0.280 1626 Q C -1.536 174.494 176.000 0.051 0.000 1.047 1626 Q CA 0.320 56.099 55.803 -0.041 0.000 0.907 1626 Q CB 0.303 28.992 28.738 -0.082 0.000 1.171 1626 Q HN 0.533 nan 8.270 nan 0.000 0.381 1627 F N 5.909 125.758 119.950 -0.169 0.000 2.767 1627 F HA 0.338 4.771 4.527 -0.157 0.000 0.341 1627 F C -2.398 173.374 175.800 -0.045 0.000 1.192 1627 F CA -0.935 57.018 58.000 -0.079 0.000 1.127 1627 F CB 0.788 39.797 39.000 0.015 0.000 1.388 1627 F HN 0.385 nan 8.300 nan 0.000 0.574 1628 L N 6.307 127.229 121.223 -0.502 0.000 2.323 1628 L HA 0.635 4.882 4.340 -0.156 0.000 0.265 1628 L C -2.301 173.976 176.870 -0.987 0.000 1.012 1628 L CA -2.284 52.098 54.840 -0.764 0.000 0.820 1628 L CB 1.901 43.578 42.059 -0.637 0.000 1.334 1628 L HN 0.388 nan 8.230 nan 0.000 0.427 1629 P HA 0.007 nan 4.420 nan 0.000 0.266 1629 P C 0.854 177.906 177.300 -0.414 0.000 1.193 1629 P CA 0.138 62.648 63.100 -0.982 0.000 0.770 1629 P CB 0.499 31.493 31.700 -1.176 0.000 0.836 1630 S N 2.166 117.780 115.700 -0.143 0.000 2.374 1630 S HA -0.308 4.068 4.470 -0.156 0.000 0.227 1630 S C 1.535 176.100 174.600 -0.058 0.000 1.037 1630 S CA 1.490 59.664 58.200 -0.043 0.000 1.024 1630 S CB -1.064 62.163 63.200 0.045 0.000 0.861 1630 S HN 0.412 nan 8.310 nan 0.000 0.456 1631 Q N 0.559 120.331 119.800 -0.047 0.000 2.291 1631 Q HA 0.204 4.451 4.340 -0.156 0.000 0.206 1631 Q C 1.754 177.686 176.000 -0.114 0.000 0.976 1631 Q CA 0.917 56.695 55.803 -0.042 0.000 0.875 1631 Q CB -0.402 28.337 28.738 0.001 0.000 0.927 1631 Q HN 0.465 nan 8.270 nan 0.000 0.450 1632 L N -0.935 120.154 121.223 -0.224 0.000 2.477 1632 L HA 0.137 4.383 4.340 -0.156 0.000 0.220 1632 L C 0.102 176.943 176.870 -0.048 0.000 1.106 1632 L CA 0.443 55.139 54.840 -0.240 0.000 0.851 1632 L CB 0.411 42.188 42.059 -0.470 0.000 0.994 1632 L HN -0.119 nan 8.230 nan 0.000 0.462 1633 S N -0.674 115.002 115.700 -0.041 0.000 2.578 1633 S HA 0.499 4.875 4.470 -0.156 0.000 0.283 1633 S C -0.230 174.393 174.600 0.040 0.000 1.195 1633 S CA -0.819 57.424 58.200 0.072 0.000 1.050 1633 S CB 1.886 65.093 63.200 0.011 0.000 1.012 1633 S HN 0.036 nan 8.310 nan 0.000 0.511 1634 V N 1.131 121.084 119.914 0.065 0.000 2.740 1634 V HA 0.332 4.358 4.120 -0.156 0.000 0.303 1634 V C -0.123 175.962 176.094 -0.015 0.000 1.054 1634 V CA -0.399 61.896 62.300 -0.007 0.000 1.106 1634 V CB 0.111 31.918 31.823 -0.026 0.000 0.957 1634 V HN 0.704 nan 8.190 nan 0.000 0.486 1635 Q N 1.574 121.340 119.800 -0.057 0.000 2.248 1635 Q HA 0.394 4.640 4.340 -0.156 0.000 0.263 1635 Q C -0.616 175.331 176.000 -0.088 0.000 1.007 1635 Q CA -0.637 55.112 55.803 -0.090 0.000 0.877 1635 Q CB 1.922 30.561 28.738 -0.165 0.000 1.315 1635 Q HN 0.913 nan 8.270 nan 0.000 0.454 1636 D N 1.509 121.859 120.400 -0.083 0.000 2.339 1636 D HA 0.024 4.570 4.640 -0.156 0.000 0.256 1636 D C 0.026 176.300 176.300 -0.043 0.000 1.214 1636 D CA 0.091 54.070 54.000 -0.035 0.000 0.877 1636 D CB 0.618 41.424 40.800 0.010 0.000 1.111 1636 D HN 0.295 nan 8.370 nan 0.000 0.478 1637 N N 2.691 121.392 118.700 0.002 0.000 2.336 1637 N HA -0.065 4.582 4.740 -0.156 0.000 0.189 1637 N C -0.083 175.527 175.510 0.166 0.000 1.113 1637 N CA 0.030 53.114 53.050 0.056 0.000 0.858 1637 N CB 0.361 38.863 38.487 0.025 0.000 0.970 1637 N HN 0.490 nan 8.380 nan 0.000 0.471 1638 E N 0.238 120.520 120.200 0.136 0.000 2.351 1638 E HA 0.253 4.509 4.350 -0.156 0.000 0.266 1638 E C 1.004 177.617 176.600 0.022 0.000 1.031 1638 E CA 0.502 56.942 56.400 0.068 0.000 0.911 1638 E CB -0.134 29.581 29.700 0.026 0.000 0.986 1638 E HN 0.381 nan 8.360 nan 0.000 0.446 1639 G N 3.207 111.934 108.800 -0.122 0.000 2.159 1639 G HA2 -0.301 3.565 3.960 -0.156 0.000 0.256 1639 G HA3 -0.301 3.565 3.960 -0.156 0.000 0.256 1639 G C -0.376 174.166 174.900 -0.597 0.000 0.977 1639 G CA 0.367 45.209 45.100 -0.429 0.000 0.652 1639 G HN 0.462 nan 8.290 nan 0.000 0.531 1640 Y N -0.132 120.064 120.300 -0.174 0.000 2.487 1640 Y HA 0.572 5.028 4.550 -0.156 0.000 0.337 1640 Y C 1.230 177.039 175.900 -0.152 0.000 1.076 1640 Y CA 0.354 58.363 58.100 -0.152 0.000 1.115 1640 Y CB 1.733 40.124 38.460 -0.116 0.000 1.235 1640 Y HN 1.076 nan 8.280 nan 0.000 0.468 1641 G N 0.921 109.596 108.800 -0.208 0.000 2.539 1641 G HA2 -0.288 3.579 3.960 -0.156 0.000 0.256 1641 G HA3 -0.288 3.579 3.960 -0.156 0.000 0.256 1641 G C -0.924 173.798 174.900 -0.295 0.000 1.233 1641 G CA -0.651 44.203 45.100 -0.409 0.000 0.936 1641 G HN 0.461 nan 8.290 nan 0.000 0.571 1642 F N 0.607 120.686 119.950 0.214 0.000 2.466 1642 F HA 0.500 4.933 4.527 -0.156 0.000 0.363 1642 F C 0.907 176.867 175.800 0.267 0.000 1.109 1642 F CA -0.145 58.008 58.000 0.254 0.000 1.161 1642 F CB 1.230 40.373 39.000 0.238 0.000 1.117 1642 F HN 0.283 nan 8.300 nan 0.000 0.539 1643 V N 4.454 124.608 119.914 0.400 0.000 2.487 1643 V HA 0.259 4.285 4.120 -0.156 0.000 0.298 1643 V C -0.023 176.108 176.094 0.062 0.000 1.028 1643 V CA -1.420 61.035 62.300 0.259 0.000 0.860 1643 V CB 1.792 33.743 31.823 0.213 0.000 0.991 1643 V HN 0.558 nan 8.190 nan 0.000 0.427 1644 K N 4.043 124.323 120.400 -0.199 0.000 2.322 1644 K HA 0.366 4.592 4.320 -0.156 0.000 0.283 1644 K C -0.416 175.973 176.600 -0.351 0.000 1.042 1644 K CA -0.048 55.841 56.287 -0.663 0.000 0.958 1644 K CB 0.525 32.521 32.500 -0.839 0.000 0.984 1644 K HN 0.756 nan 8.250 nan 0.000 0.473 1645 E N 3.186 123.145 120.200 -0.403 0.000 2.302 1645 E HA 0.239 4.495 4.350 -0.156 0.000 0.263 1645 E C 0.078 176.546 176.600 -0.220 0.000 0.897 1645 E CA -0.503 55.767 56.400 -0.217 0.000 0.809 1645 E CB 1.618 31.291 29.700 -0.046 0.000 1.270 1645 E HN 0.927 nan 8.360 nan 0.000 0.410 1646 G N 4.117 112.824 108.800 -0.156 0.000 2.556 1646 G HA2 -0.387 3.479 3.960 -0.156 0.000 0.283 1646 G HA3 -0.387 3.479 3.960 -0.156 0.000 0.283 1646 G C 0.480 175.280 174.900 -0.167 0.000 1.177 1646 G CA 0.279 45.304 45.100 -0.125 0.000 0.978 1646 G HN 0.620 nan 8.290 nan 0.000 0.554 1647 N N 2.217 120.833 118.700 -0.140 0.000 2.398 1647 N HA 0.037 4.683 4.740 -0.156 0.000 0.188 1647 N C -0.013 175.389 175.510 -0.180 0.000 1.122 1647 N CA 0.241 53.209 53.050 -0.136 0.000 0.866 1647 N CB -0.093 38.346 38.487 -0.081 0.000 0.970 1647 N HN 0.414 nan 8.380 nan 0.000 0.462 1648 N N -0.007 118.530 118.700 -0.271 0.000 2.292 1648 N HA 0.219 4.865 4.740 -0.156 0.000 0.303 1648 N C -1.173 174.002 175.510 -0.558 0.000 1.140 1648 N CA -0.327 52.529 53.050 -0.324 0.000 0.788 1648 N CB 1.244 39.567 38.487 -0.274 0.000 1.361 1648 N HN -0.036 nan 8.380 nan 0.000 0.489 1649 Y N 0.325 120.388 120.300 -0.395 0.000 2.310 1649 Y HA 0.264 4.720 4.550 -0.156 0.000 0.326 1649 Y C 0.573 176.249 175.900 -0.374 0.000 1.151 1649 Y CA -0.032 57.821 58.100 -0.413 0.000 1.195 1649 Y CB 0.942 39.107 38.460 -0.491 0.000 1.210 1649 Y HN 0.463 nan 8.280 nan 0.000 0.483 1650 H N 0.322 119.432 119.070 0.065 0.000 2.812 1650 H HA 0.365 4.827 4.556 -0.156 0.000 0.355 1650 H C -1.811 173.500 175.328 -0.027 0.000 1.207 1650 H CA -1.102 54.898 56.048 -0.080 0.000 1.217 1650 H CB 2.113 31.726 29.762 -0.249 0.000 1.874 1650 H HN 0.581 nan 8.280 nan 0.000 0.581 1651 Y N 1.227 121.390 120.300 -0.228 0.000 2.329 1651 Y HA 0.290 4.746 4.550 -0.156 0.000 0.328 1651 Y C -1.789 173.875 175.900 -0.393 0.000 0.992 1651 Y CA -0.851 57.032 58.100 -0.361 0.000 1.151 1651 Y CB 0.608 38.748 38.460 -0.532 0.000 1.150 1651 Y HN 0.510 nan 8.280 nan 0.000 0.450 1652 Y N 5.174 125.063 120.300 -0.685 0.000 2.328 1652 Y HA 0.244 4.700 4.550 -0.156 0.000 0.337 1652 Y C 0.370 175.893 175.900 -0.629 0.000 1.008 1652 Y CA -0.817 56.978 58.100 -0.508 0.000 1.129 1652 Y CB 0.716 38.927 38.460 -0.416 0.000 1.185 1652 Y HN 0.693 nan 8.280 nan 0.000 0.476 1653 D N 1.107 121.406 120.400 -0.169 0.000 2.414 1653 D HA -0.059 4.487 4.640 -0.156 0.000 0.259 1653 D C 1.185 177.554 176.300 0.116 0.000 1.269 1653 D CA -0.298 53.694 54.000 -0.013 0.000 1.028 1653 D CB 0.463 41.316 40.800 0.089 0.000 1.093 1653 D HN 0.638 nan 8.370 nan 0.000 0.545 1654 E N -0.030 120.256 120.200 0.143 0.000 2.233 1654 E HA -0.283 3.973 4.350 -0.156 0.000 0.199 1654 E C 0.218 176.955 176.600 0.228 0.000 1.004 1654 E CA 1.109 57.608 56.400 0.166 0.000 0.819 1654 E CB -0.637 29.123 29.700 0.101 0.000 0.738 1654 E HN 0.458 nan 8.360 nan 0.000 0.478 1655 N N 1.163 119.963 118.700 0.167 0.000 2.276 1655 N HA 0.051 4.697 4.740 -0.156 0.000 0.212 1655 N C -0.074 175.488 175.510 0.087 0.000 1.127 1655 N CA 0.088 53.221 53.050 0.138 0.000 0.834 1655 N CB 0.489 39.024 38.487 0.080 0.000 1.014 1655 N HN 0.206 nan 8.380 nan 0.000 0.491 1656 K N 0.323 120.750 120.400 0.045 0.000 3.088 1656 K HA -0.184 4.043 4.320 -0.156 0.000 0.273 1656 K C -0.233 176.375 176.600 0.013 0.000 1.111 1656 K CA 0.771 56.912 56.287 -0.244 0.000 0.803 1656 K CB -0.403 31.819 32.500 -0.464 0.000 1.226 1656 K HN 0.266 nan 8.250 nan 0.000 0.485 1660 K N 2.500 122.804 120.400 -0.159 0.000 2.316 1660 K HA 0.601 4.827 4.320 -0.156 0.000 0.251 1660 K C -0.553 175.943 176.600 -0.173 0.000 0.934 1660 K CA -0.863 55.310 56.287 -0.191 0.000 0.802 1660 K CB 1.710 34.117 32.500 -0.155 0.000 1.171 1660 K HN 0.751 nan 8.250 nan 0.000 0.426 1661 D N 1.282 121.521 120.400 -0.268 0.000 2.737 1661 D HA -0.208 4.338 4.640 -0.156 0.000 0.238 1661 D C -1.690 174.586 176.300 -0.041 0.000 1.157 1661 D CA 1.159 55.071 54.000 -0.147 0.000 0.694 1661 D CB -0.580 40.226 40.800 0.011 0.000 1.021 1661 D HN 0.735 nan 8.370 nan 0.000 0.420 1662 A N 0.871 123.569 122.820 -0.204 0.000 2.566 1662 A HA 0.626 4.852 4.320 -0.156 0.000 0.297 1662 A C -0.742 176.846 177.584 0.007 0.000 1.059 1662 A CA -0.757 51.300 52.037 0.033 0.000 0.691 1662 A CB 0.895 19.919 19.000 0.040 0.000 1.282 1662 A HN 0.077 nan 8.150 nan 0.000 0.401 1663 F N 1.868 121.979 119.950 0.269 0.000 2.396 1663 F HA 0.570 5.003 4.527 -0.156 0.000 0.343 1663 F C 0.370 176.410 175.800 0.400 0.000 1.104 1663 F CA -0.060 58.175 58.000 0.392 0.000 1.161 1663 F CB 1.150 40.352 39.000 0.337 0.000 1.146 1663 F HN 0.246 nan 8.300 nan 0.000 0.522 1664 I N 2.999 123.901 120.570 0.553 0.000 2.499 1664 I HA 0.215 4.291 4.170 -0.156 0.000 0.288 1664 I C -0.394 175.861 176.117 0.230 0.000 1.048 1664 I CA -0.807 60.639 61.300 0.243 0.000 1.062 1664 I CB 1.673 39.557 38.000 -0.194 0.000 1.238 1664 I HN 0.594 nan 8.210 nan 0.000 0.426 1665 Q N 4.277 123.878 119.800 -0.331 0.000 2.259 1665 Q HA 0.257 4.503 4.340 -0.156 0.000 0.249 1665 Q C -0.650 175.248 176.000 -0.169 0.000 0.914 1665 Q CA -0.535 54.816 55.803 -0.755 0.000 0.904 1665 Q CB 1.684 29.468 28.738 -1.590 0.000 1.213 1665 Q HN 0.691 nan 8.270 nan 0.000 0.428 1666 D N 0.561 120.951 120.400 -0.017 0.000 2.506 1666 D HA 0.028 4.574 4.640 -0.156 0.000 0.272 1666 D C 0.691 176.999 176.300 0.014 0.000 1.214 1666 D CA -0.067 53.996 54.000 0.106 0.000 1.067 1666 D CB 0.509 41.429 40.800 0.200 0.000 1.117 1666 D HN 0.498 nan 8.370 nan 0.000 0.578 1667 S N -1.278 114.448 115.700 0.044 0.000 2.481 1667 S HA -0.083 4.293 4.470 -0.156 0.000 0.231 1667 S C 1.615 176.236 174.600 0.036 0.000 0.996 1667 S CA 0.714 58.937 58.200 0.037 0.000 0.942 1667 S CB -0.845 62.367 63.200 0.020 0.000 0.768 1667 S HN 0.589 nan 8.310 nan 0.000 0.520 1668 V N -2.771 117.153 119.914 0.017 0.000 3.483 1668 V HA 0.747 4.773 4.120 -0.156 0.000 0.301 1668 V C 1.329 177.427 176.094 0.006 0.000 1.389 1668 V CA -0.057 62.255 62.300 0.020 0.000 1.101 1668 V CB -0.753 31.078 31.823 0.013 0.000 0.971 1668 V HN 0.665 nan 8.190 nan 0.000 0.434 1669 G N 0.573 109.353 108.800 -0.034 0.000 2.163 1669 G HA2 -0.221 3.645 3.960 -0.156 0.000 0.213 1669 G HA3 -0.221 3.645 3.960 -0.156 0.000 0.213 1669 G C -0.083 174.745 174.900 -0.119 0.000 0.991 1669 G CA 0.018 45.075 45.100 -0.072 0.000 0.653 1669 G HN 0.549 nan 8.290 nan 0.000 0.518 1670 N N -0.133 118.494 118.700 -0.121 0.000 2.530 1670 N HA 0.493 5.139 4.740 -0.156 0.000 0.277 1670 N C -0.469 174.864 175.510 -0.295 0.000 1.168 1670 N CA 0.271 53.220 53.050 -0.168 0.000 0.979 1670 N CB 0.631 38.986 38.487 -0.219 0.000 1.141 1670 N HN 0.334 nan 8.380 nan 0.000 0.459 1671 W N 1.071 122.240 121.300 -0.218 0.000 2.606 1671 W HA 0.416 4.982 4.660 -0.156 0.000 0.332 1671 W C -0.497 175.884 176.519 -0.230 0.000 1.052 1671 W CA -0.464 56.860 57.345 -0.035 0.000 1.223 1671 W CB 0.821 30.378 29.460 0.160 0.000 1.383 1671 W HN 0.386 nan 8.180 nan 0.000 0.524 1672 Y N 1.256 121.901 120.300 0.574 0.000 2.570 1672 Y HA 0.456 4.912 4.550 -0.156 0.000 0.345 1672 Y C -1.017 175.053 175.900 0.283 0.000 1.014 1672 Y CA -1.532 56.795 58.100 0.379 0.000 1.063 1672 Y CB 1.768 40.356 38.460 0.213 0.000 1.272 1672 Y HN 0.300 nan 8.280 nan 0.000 0.477 1673 Y N 2.491 122.718 120.300 -0.121 0.000 2.361 1673 Y HA 0.604 5.060 4.550 -0.156 0.000 0.337 1673 Y C -2.001 173.640 175.900 -0.433 0.000 0.965 1673 Y CA -1.378 56.377 58.100 -0.576 0.000 1.091 1673 Y CB 0.993 38.751 38.460 -1.171 0.000 1.182 1673 Y HN 0.440 nan 8.280 nan 0.000 0.450 1674 L N 6.842 127.468 121.223 -0.995 0.000 2.264 1674 L HA 0.254 4.500 4.340 -0.156 0.000 0.289 1674 L C 0.026 176.158 176.870 -1.229 0.000 1.044 1674 L CA -0.553 53.810 54.840 -0.795 0.000 0.807 1674 L CB 0.507 42.323 42.059 -0.405 0.000 1.192 1674 L HN 0.835 nan 8.230 nan 0.000 0.425 1675 D N 2.886 122.801 120.400 -0.809 0.000 2.414 1675 D HA 0.060 4.606 4.640 -0.156 0.000 0.259 1675 D C 0.703 176.830 176.300 -0.289 0.000 1.269 1675 D CA -0.277 53.413 54.000 -0.517 0.000 1.028 1675 D CB 0.891 41.593 40.800 -0.163 0.000 1.093 1675 D HN 0.350 nan 8.370 nan 0.000 0.545 1676 K N -1.145 119.185 120.400 -0.117 0.000 2.360 1676 K HA -0.054 4.172 4.320 -0.156 0.000 0.201 1676 K C 0.784 177.321 176.600 -0.104 0.000 1.046 1676 K CA 1.006 57.242 56.287 -0.084 0.000 0.945 1676 K CB -0.367 32.119 32.500 -0.024 0.000 0.750 1676 K HN 0.389 nan 8.250 nan 0.000 0.464 1677 N N -0.538 118.094 118.700 -0.113 0.000 2.270 1677 N HA 0.065 4.711 4.740 -0.156 0.000 0.198 1677 N C 0.465 175.873 175.510 -0.170 0.000 1.117 1677 N CA 0.341 53.321 53.050 -0.116 0.000 0.845 1677 N CB 1.264 39.705 38.487 -0.077 0.000 0.980 1677 N HN 0.219 nan 8.380 nan 0.000 0.486 1678 G N 0.111 108.789 108.800 -0.204 0.000 2.143 1678 G HA2 -0.270 3.596 3.960 -0.156 0.000 0.249 1678 G HA3 -0.270 3.596 3.960 -0.156 0.000 0.249 1678 G C -0.103 174.745 174.900 -0.087 0.000 0.981 1678 G CA -0.179 44.777 45.100 -0.241 0.000 0.665 1678 G HN 0.281 nan 8.290 nan 0.000 0.528 1682 A N 3.426 126.230 122.820 -0.026 0.000 2.958 1682 A HA 0.439 4.665 4.320 -0.156 0.000 0.214 1682 A C 0.436 178.030 177.584 0.017 0.000 0.902 1682 A CA 0.203 52.268 52.037 0.048 0.000 1.136 1682 A CB -0.073 18.951 19.000 0.040 0.000 1.250 1682 A HN 0.904 nan 8.150 nan 0.000 0.497 1683 N N 0.077 118.787 118.700 0.017 0.000 2.184 1683 N HA 0.013 4.659 4.740 -0.156 0.000 0.206 1683 N C 0.488 175.935 175.510 -0.104 0.000 1.151 1683 N CA 0.395 53.422 53.050 -0.038 0.000 0.878 1683 N CB 0.010 38.481 38.487 -0.026 0.000 1.014 1683 N HN 0.553 nan 8.380 nan 0.000 0.512 1684 Q N 0.441 120.173 119.800 -0.113 0.000 2.453 1684 Q HA -0.196 4.050 4.340 -0.156 0.000 0.294 1684 Q C -1.325 174.494 176.000 -0.302 0.000 1.295 1684 Q CA 0.749 56.392 55.803 -0.266 0.000 0.853 1684 Q CB -1.704 26.787 28.738 -0.411 0.000 1.193 1684 Q HN 0.641 nan 8.270 nan 0.000 0.461 1685 S N -0.624 114.980 115.700 -0.159 0.000 2.540 1685 S HA 0.759 5.135 4.470 -0.156 0.000 0.275 1685 S C -2.783 171.791 174.600 -0.044 0.000 1.123 1685 S CA -1.429 56.694 58.200 -0.128 0.000 0.907 1685 S CB 2.136 65.280 63.200 -0.094 0.000 1.081 1685 S HN 0.110 nan 8.310 nan 0.000 0.476 1686 P HA 0.225 nan 4.420 nan 0.000 0.264 1686 P C -0.751 176.587 177.300 0.064 0.000 1.193 1686 P CA -0.048 63.072 63.100 0.033 0.000 0.763 1686 P CB 0.666 32.364 31.700 -0.004 0.000 0.810 1687 V N 2.942 122.937 119.914 0.134 0.000 2.808 1687 V HA 0.264 4.290 4.120 -0.156 0.000 0.308 1687 V C -0.798 175.408 176.094 0.188 0.000 1.099 1687 V CA -0.793 61.595 62.300 0.148 0.000 0.920 1687 V CB 2.325 34.255 31.823 0.178 0.000 1.014 1687 V HN 0.335 nan 8.190 nan 0.000 0.425 1688 E N 6.020 126.297 120.200 0.128 0.000 2.229 1688 E HA 0.528 4.784 4.350 -0.156 0.000 0.283 1688 E C -0.873 175.800 176.600 0.121 0.000 1.030 1688 E CA 0.129 56.608 56.400 0.133 0.000 0.836 1688 E CB 1.565 31.311 29.700 0.078 0.000 1.068 1688 E HN 0.613 nan 8.360 nan 0.000 0.401 1689 I N 1.319 122.003 120.570 0.190 0.000 2.619 1689 I HA 0.120 4.196 4.170 -0.156 0.000 0.292 1689 I C -0.379 175.837 176.117 0.164 0.000 1.100 1689 I CA -0.716 60.620 61.300 0.060 0.000 1.043 1689 I CB 2.145 39.966 38.000 -0.300 0.000 1.239 1689 I HN 0.162 nan 8.210 nan 0.000 0.420 1690 S N 2.697 118.459 115.700 0.104 0.000 2.439 1690 S HA 0.106 4.482 4.470 -0.156 0.000 0.282 1690 S C 1.026 175.709 174.600 0.139 0.000 1.170 1690 S CA -0.640 57.630 58.200 0.116 0.000 1.054 1690 S CB 1.082 64.332 63.200 0.083 0.000 0.956 1690 S HN 0.807 nan 8.310 nan 0.000 0.490 1691 S N 2.666 118.453 115.700 0.145 0.000 2.496 1691 S HA 0.100 4.476 4.470 -0.156 0.000 0.224 1691 S C 0.914 175.559 174.600 0.076 0.000 0.996 1691 S CA 0.426 58.696 58.200 0.117 0.000 0.927 1691 S CB -0.222 62.951 63.200 -0.045 0.000 0.774 1691 S HN 0.831 nan 8.310 nan 0.000 0.524 1692 N N -1.100 117.638 118.700 0.063 0.000 2.476 1692 N HA 0.112 4.758 4.740 -0.156 0.000 0.327 1692 N C -0.224 175.309 175.510 0.039 0.000 0.880 1692 N CA 0.331 53.411 53.050 0.050 0.000 1.291 1692 N CB 0.579 39.089 38.487 0.038 0.000 2.379 1692 N HN 0.470 nan 8.380 nan 0.000 1.159 1693 G N 0.856 109.675 108.800 0.033 0.000 2.387 1693 G HA2 0.582 4.448 3.960 -0.156 0.000 0.309 1693 G HA3 0.582 4.448 3.960 -0.156 0.000 0.309 1693 G C -0.980 173.930 174.900 0.017 0.000 1.641 1693 G CA 0.090 45.206 45.100 0.026 0.000 0.904 1693 G HN 0.266 nan 8.290 nan 0.000 0.661 1694 A N 1.148 123.978 122.820 0.016 0.000 3.033 1694 A HA 0.893 5.119 4.320 -0.156 0.000 0.223 1694 A C 1.184 178.793 177.584 0.042 0.000 1.797 1694 A CA 0.429 52.481 52.037 0.026 0.000 0.856 1694 A CB 0.157 19.168 19.000 0.018 0.000 1.798 1694 A HN 1.982 nan 8.150 nan 0.000 0.629 1695 S N -0.934 114.793 115.700 0.044 0.000 2.505 1695 S HA 0.486 4.862 4.470 -0.156 0.000 0.276 1695 S C 0.227 174.862 174.600 0.058 0.000 1.274 1695 S CA 0.037 58.278 58.200 0.069 0.000 1.053 1695 S CB -0.265 62.969 63.200 0.058 0.000 0.919 1695 S HN 1.207 nan 8.310 nan 0.000 0.490 1696 G N 2.665 111.533 108.800 0.112 0.000 2.454 1696 G HA2 0.559 4.425 3.960 -0.156 0.000 0.329 1696 G HA3 0.559 4.425 3.960 -0.156 0.000 0.329 1696 G C -0.929 173.959 174.900 -0.019 0.000 1.177 1696 G CA -0.623 44.459 45.100 -0.030 0.000 0.951 1696 G HN 0.659 nan 8.290 nan 0.000 0.485 1697 T N 1.326 115.774 114.554 -0.177 0.000 2.743 1697 T HA 0.444 4.700 4.350 -0.156 0.000 0.292 1697 T C -0.991 173.658 174.700 -0.085 0.000 0.972 1697 T CA 0.208 62.275 62.100 -0.054 0.000 0.967 1697 T CB 0.163 68.997 68.868 -0.057 0.000 0.926 1697 T HN 0.330 nan 8.240 nan 0.000 0.459 1698 Y N 1.835 122.195 120.300 0.100 0.000 2.567 1698 Y HA 0.726 5.182 4.550 -0.156 0.000 0.333 1698 Y C -0.073 175.706 175.900 -0.201 0.000 1.106 1698 Y CA -1.383 56.685 58.100 -0.054 0.000 1.157 1698 Y CB 1.649 40.022 38.460 -0.146 0.000 1.277 1698 Y HN 0.446 nan 8.280 nan 0.000 0.490 1699 L N 2.411 123.355 121.223 -0.464 0.000 2.439 1699 L HA 0.565 4.811 4.340 -0.156 0.000 0.270 1699 L C -2.044 174.448 176.870 -0.629 0.000 0.972 1699 L CA -0.446 54.094 54.840 -0.500 0.000 0.836 1699 L CB 0.912 42.541 42.059 -0.717 0.000 1.255 1699 L HN 0.513 nan 8.230 nan 0.000 0.404 1700 F N 5.092 124.991 119.950 -0.085 0.000 2.411 1700 F HA 0.464 4.897 4.527 -0.156 0.000 0.352 1700 F C 0.284 176.010 175.800 -0.123 0.000 1.123 1700 F CA -0.597 57.369 58.000 -0.056 0.000 1.044 1700 F CB 1.307 40.310 39.000 0.005 0.000 1.135 1700 F HN 0.235 nan 8.300 nan 0.000 0.461 1701 L N 2.285 123.496 121.223 -0.020 0.000 2.461 1701 L HA 0.053 4.299 4.340 -0.156 0.000 0.259 1701 L C 1.307 178.155 176.870 -0.037 0.000 1.248 1701 L CA -0.086 54.682 54.840 -0.120 0.000 0.823 1701 L CB 0.228 42.157 42.059 -0.216 0.000 1.111 1701 L HN 0.595 nan 8.230 nan 0.000 0.516 1702 N N 0.555 119.209 118.700 -0.076 0.000 2.443 1702 N HA -0.148 4.499 4.740 -0.156 0.000 0.184 1702 N C 1.005 176.534 175.510 0.032 0.000 1.037 1702 N CA 0.682 53.716 53.050 -0.026 0.000 0.896 1702 N CB -0.186 38.275 38.487 -0.045 0.000 0.959 1702 N HN 0.573 nan 8.380 nan 0.000 0.442 1703 N N -0.812 117.909 118.700 0.036 0.000 2.383 1703 N HA 0.125 4.771 4.740 -0.156 0.000 0.192 1703 N C 1.106 176.770 175.510 0.257 0.000 1.141 1703 N CA 0.668 53.787 53.050 0.116 0.000 0.851 1703 N CB -0.134 38.382 38.487 0.048 0.000 0.976 1703 N HN 0.108 nan 8.380 nan 0.000 0.465 1704 G N -0.248 108.678 108.800 0.211 0.000 2.234 1704 G HA2 -0.336 3.530 3.960 -0.156 0.000 0.260 1704 G HA3 -0.336 3.530 3.960 -0.156 0.000 0.260 1704 G C 0.275 175.373 174.900 0.329 0.000 0.987 1704 G CA 0.743 46.033 45.100 0.317 0.000 0.625 1704 G HN 0.819 nan 8.290 nan 0.000 0.532 1705 T N -0.575 114.046 114.554 0.112 0.000 2.916 1705 T HA 0.518 4.774 4.350 -0.156 0.000 0.303 1705 T C 0.586 175.316 174.700 0.050 0.000 1.025 1705 T CA 0.640 62.651 62.100 -0.148 0.000 1.142 1705 T CB 1.740 70.505 68.868 -0.171 0.000 0.947 1705 T HN 1.215 nan 8.240 nan 0.000 0.544 1706 S N 3.071 118.817 115.700 0.077 0.000 2.498 1706 S HA 0.209 4.585 4.470 -0.156 0.000 0.281 1706 S C -0.291 174.238 174.600 -0.118 0.000 1.265 1706 S CA -0.926 57.214 58.200 -0.100 0.000 1.071 1706 S CB -0.794 62.474 63.200 0.113 0.000 0.894 1706 S HN 0.589 nan 8.310 nan 0.000 0.491 1707 F N 7.468 127.193 119.950 -0.375 0.000 2.504 1707 F HA 0.445 4.878 4.527 -0.156 0.000 0.369 1707 F C 0.623 176.260 175.800 -0.273 0.000 1.082 1707 F CA -0.117 57.690 58.000 -0.321 0.000 1.216 1707 F CB 0.364 39.097 39.000 -0.444 0.000 1.108 1707 F HN 0.705 nan 8.300 nan 0.000 0.554 1708 R N 2.669 122.713 120.500 -0.760 0.000 2.643 1708 R HA 0.496 4.742 4.340 -0.156 0.000 0.269 1708 R C -0.763 175.218 176.300 -0.531 0.000 1.037 1708 R CA -0.765 55.027 56.100 -0.514 0.000 0.894 1708 R CB 1.244 31.403 30.300 -0.235 0.000 1.238 1708 R HN 0.540 nan 8.270 nan 0.000 0.459 1709 S N -0.853 114.605 115.700 -0.402 0.000 3.797 1709 S HA -0.098 4.278 4.470 -0.156 0.000 0.374 1709 S C -0.088 174.418 174.600 -0.156 0.000 0.970 1709 S CA 0.917 58.998 58.200 -0.198 0.000 1.177 1709 S CB -1.351 61.826 63.200 -0.038 0.000 0.891 1709 S HN 1.202 nan 8.310 nan 0.000 0.491 1710 G N -0.428 108.187 108.800 -0.309 0.000 2.601 1710 G HA2 0.551 4.417 3.960 -0.156 0.000 0.291 1710 G HA3 0.551 4.417 3.960 -0.156 0.000 0.291 1710 G C -1.174 173.961 174.900 0.392 0.000 1.456 1710 G CA -1.069 44.069 45.100 0.063 0.000 0.804 1710 G HN 0.313 nan 8.290 nan 0.000 0.499 1711 L N 0.173 121.724 121.223 0.546 0.000 2.357 1711 L HA 0.627 4.873 4.340 -0.156 0.000 0.273 1711 L C -0.164 177.082 176.870 0.627 0.000 1.080 1711 L CA -1.045 54.093 54.840 0.496 0.000 0.803 1711 L CB 1.783 43.959 42.059 0.195 0.000 1.174 1711 L HN 0.216 nan 8.230 nan 0.000 0.443 1712 V N 2.712 122.897 119.914 0.453 0.000 2.350 1712 V HA 0.257 4.284 4.120 -0.156 0.000 0.285 1712 V C -0.058 176.260 176.094 0.373 0.000 1.014 1712 V CA -0.758 61.713 62.300 0.285 0.000 0.831 1712 V CB 1.325 33.252 31.823 0.173 0.000 1.000 1712 V HN 0.623 nan 8.190 nan 0.000 0.433 1713 K N 3.916 124.529 120.400 0.355 0.000 2.262 1713 K HA 0.575 4.802 4.320 -0.156 0.000 0.282 1713 K C 0.183 176.903 176.600 0.199 0.000 1.066 1713 K CA -0.195 56.264 56.287 0.288 0.000 0.901 1713 K CB 1.023 33.741 32.500 0.364 0.000 1.089 1713 K HN 0.862 nan 8.250 nan 0.000 0.476 1714 T N 0.085 114.774 114.554 0.226 0.000 2.940 1714 T HA 0.231 4.487 4.350 -0.156 0.000 0.288 1714 T C 0.577 175.329 174.700 0.086 0.000 1.045 1714 T CA -0.783 61.420 62.100 0.172 0.000 1.018 1714 T CB 1.235 70.324 68.868 0.369 0.000 1.151 1714 T HN 0.456 nan 8.240 nan 0.000 0.529 1715 D N 0.719 121.134 120.400 0.026 0.000 2.218 1715 D HA -0.002 4.544 4.640 -0.156 0.000 0.204 1715 D C 1.974 178.314 176.300 0.066 0.000 0.976 1715 D CA 1.502 55.517 54.000 0.025 0.000 0.853 1715 D CB -0.440 40.359 40.800 -0.001 0.000 0.939 1715 D HN 0.747 nan 8.370 nan 0.000 0.481 1716 A N -0.269 122.624 122.820 0.121 0.000 2.218 1716 A HA 0.509 4.735 4.320 -0.156 0.000 0.209 1716 A C 1.104 178.761 177.584 0.121 0.000 1.168 1716 A CA 0.973 53.090 52.037 0.134 0.000 0.804 1716 A CB 0.217 19.320 19.000 0.172 0.000 0.834 1716 A HN 0.303 nan 8.150 nan 0.000 0.482 1717 G N -2.562 106.291 108.800 0.090 0.000 2.361 1717 G HA2 0.367 4.233 3.960 -0.156 0.000 0.305 1717 G HA3 0.367 4.233 3.960 -0.156 0.000 0.305 1717 G C -0.885 173.904 174.900 -0.185 0.000 1.367 1717 G CA -0.258 44.780 45.100 -0.105 0.000 0.951 1717 G HN 0.255 nan 8.290 nan 0.000 0.615 1718 T N 0.688 115.020 114.554 -0.370 0.000 2.823 1718 T HA 0.716 4.972 4.350 -0.156 0.000 0.279 1718 T C -1.107 173.294 174.700 -0.498 0.000 0.998 1718 T CA -0.039 61.934 62.100 -0.213 0.000 0.994 1718 T CB 1.014 69.845 68.868 -0.061 0.000 0.960 1718 T HN 0.431 nan 8.240 nan 0.000 0.448 1719 Y N 0.893 121.252 120.300 0.099 0.000 2.562 1719 Y HA 0.607 5.063 4.550 -0.156 0.000 0.343 1719 Y C -0.717 175.244 175.900 0.101 0.000 1.025 1719 Y CA -1.348 56.778 58.100 0.043 0.000 1.082 1719 Y CB 1.527 39.979 38.460 -0.014 0.000 1.264 1719 Y HN 0.642 nan 8.280 nan 0.000 0.478 1720 Y N 1.556 121.858 120.300 0.003 0.000 2.350 1720 Y HA 0.539 4.995 4.550 -0.156 0.000 0.338 1720 Y C -1.871 173.986 175.900 -0.072 0.000 0.961 1720 Y CA -1.632 56.462 58.100 -0.009 0.000 1.100 1720 Y CB 0.800 39.175 38.460 -0.141 0.000 1.179 1720 Y HN 0.563 nan 8.280 nan 0.000 0.454 1721 Y N 5.111 125.038 120.300 -0.622 0.000 2.331 1721 Y HA 0.264 4.720 4.550 -0.156 0.000 0.338 1721 Y C 0.273 175.627 175.900 -0.910 0.000 0.992 1721 Y CA -0.956 56.821 58.100 -0.539 0.000 1.121 1721 Y CB 0.930 39.273 38.460 -0.194 0.000 1.184 1721 Y HN 0.719 nan 8.280 nan 0.000 0.469 1722 D N 0.727 120.895 120.400 -0.386 0.000 2.414 1722 D HA 0.095 4.641 4.640 -0.156 0.000 0.259 1722 D C 1.561 177.770 176.300 -0.151 0.000 1.269 1722 D CA -0.222 53.669 54.000 -0.182 0.000 1.028 1722 D CB 0.196 41.004 40.800 0.013 0.000 1.093 1722 D HN 0.632 nan 8.370 nan 0.000 0.545 1723 G N -1.269 107.501 108.800 -0.051 0.000 2.479 1723 G HA2 -0.201 3.665 3.960 -0.156 0.000 0.220 1723 G HA3 -0.201 3.665 3.960 -0.156 0.000 0.220 1723 G C 0.706 175.549 174.900 -0.095 0.000 1.115 1723 G CA 0.554 45.625 45.100 -0.048 0.000 0.757 1723 G HN 0.513 nan 8.290 nan 0.000 0.560 1724 D N -0.083 120.236 120.400 -0.135 0.000 2.349 1724 D HA 0.193 4.739 4.640 -0.156 0.000 0.214 1724 D C 1.860 178.039 176.300 -0.202 0.000 1.063 1724 D CA 0.672 54.548 54.000 -0.206 0.000 0.847 1724 D CB 0.139 40.816 40.800 -0.204 0.000 0.933 1724 D HN 0.337 nan 8.370 nan 0.000 0.513 1725 G N 1.609 110.303 108.800 -0.178 0.000 2.143 1725 G HA2 -0.330 3.536 3.960 -0.156 0.000 0.248 1725 G HA3 -0.330 3.536 3.960 -0.156 0.000 0.248 1725 G C 0.435 175.182 174.900 -0.254 0.000 0.991 1725 G CA 0.020 45.032 45.100 -0.146 0.000 0.689 1725 G HN 0.299 nan 8.290 nan 0.000 0.522 1729 R N 2.692 123.187 120.500 -0.009 0.000 2.750 1729 R HA 0.632 4.878 4.340 -0.156 0.000 0.281 1729 R C 0.243 176.546 176.300 0.006 0.000 0.972 1729 R CA -0.938 55.164 56.100 0.004 0.000 0.912 1729 R CB 1.344 31.642 30.300 -0.004 0.000 1.187 1729 R HN 0.783 nan 8.270 nan 0.000 0.464 1730 N N 1.605 120.310 118.700 0.008 0.000 2.758 1730 N HA -0.209 4.437 4.740 -0.156 0.000 0.248 1730 N C -1.340 174.172 175.510 0.002 0.000 1.076 1730 N CA 1.566 54.618 53.050 0.004 0.000 0.696 1730 N CB -0.444 38.045 38.487 0.003 0.000 0.979 1730 N HN 0.764 nan 8.380 nan 0.000 0.550 1731 Q N -3.058 116.745 119.800 0.004 0.000 2.737 1731 Q HA 0.505 4.751 4.340 -0.156 0.000 0.307 1731 Q C -1.383 174.615 176.000 -0.003 0.000 0.905 1731 Q CA -0.944 54.859 55.803 0.000 0.000 0.753 1731 Q CB 0.623 29.362 28.738 0.002 0.000 1.463 1731 Q HN 0.045 nan 8.270 nan 0.000 0.455 1732 T N 1.284 115.830 114.554 -0.014 0.000 2.829 1732 T HA 0.616 4.872 4.350 -0.156 0.000 0.282 1732 T C -0.267 174.410 174.700 -0.039 0.000 0.990 1732 T CA -0.408 61.675 62.100 -0.028 0.000 1.028 1732 T CB 1.198 70.045 68.868 -0.036 0.000 0.951 1732 T HN 0.544 nan 8.240 nan 0.000 0.460 1733 V N 0.205 120.079 119.914 -0.067 0.000 3.040 1733 V HA 0.900 4.926 4.120 -0.156 0.000 0.312 1733 V C -0.456 175.536 176.094 -0.171 0.000 1.115 1733 V CA -0.932 61.315 62.300 -0.088 0.000 0.998 1733 V CB 2.258 34.043 31.823 -0.063 0.000 1.042 1733 V HN 0.768 nan 8.190 nan 0.000 0.433 1734 S N 1.341 116.955 115.700 -0.143 0.000 2.503 1734 S HA 0.692 5.068 4.470 -0.156 0.000 0.301 1734 S C -1.183 173.343 174.600 -0.123 0.000 1.087 1734 S CA -0.310 57.775 58.200 -0.192 0.000 1.042 1734 S CB 1.459 64.578 63.200 -0.135 0.000 1.043 1734 S HN 1.020 nan 8.310 nan 0.000 0.489 1735 D N 1.238 121.544 120.400 -0.157 0.000 2.330 1735 D HA 0.512 5.058 4.640 -0.156 0.000 0.249 1735 D C 0.724 177.007 176.300 -0.029 0.000 1.306 1735 D CA 0.688 54.688 54.000 0.000 0.000 0.956 1735 D CB 0.425 41.335 40.800 0.183 0.000 1.261 1735 D HN 0.733 nan 8.370 nan 0.000 0.544 1736 G N 2.735 111.524 108.800 -0.018 0.000 2.536 1736 G HA2 -0.064 3.802 3.960 -0.156 0.000 0.280 1736 G HA3 -0.064 3.802 3.960 -0.156 0.000 0.280 1736 G C 0.578 175.440 174.900 -0.064 0.000 1.152 1736 G CA 0.366 45.453 45.100 -0.022 0.000 0.970 1736 G HN 1.019 nan 8.290 nan 0.000 0.549 1740 Y N 1.243 121.428 120.300 -0.192 0.000 2.352 1740 Y HA 0.654 5.110 4.550 -0.156 0.000 0.339 1740 Y C 0.064 175.874 175.900 -0.149 0.000 0.992 1740 Y CA -1.310 56.674 58.100 -0.193 0.000 1.100 1740 Y CB 1.431 39.697 38.460 -0.322 0.000 1.192 1740 Y HN 0.373 nan 8.280 nan 0.000 0.458 1741 V N 5.716 125.664 119.914 0.057 0.000 2.328 1741 V HA 0.385 4.411 4.120 -0.156 0.000 0.278 1741 V C -0.443 175.657 176.094 0.010 0.000 1.021 1741 V CA -0.721 61.587 62.300 0.014 0.000 0.838 1741 V CB 0.784 32.606 31.823 -0.003 0.000 0.999 1741 V HN 0.538 nan 8.190 nan 0.000 0.447 1742 L N 5.437 126.665 121.223 0.007 0.000 2.296 1742 L HA 0.536 4.782 4.340 -0.156 0.000 0.286 1742 L C 0.337 177.207 176.870 -0.000 0.000 1.023 1742 L CA -0.521 54.320 54.840 0.002 0.000 0.812 1742 L CB 1.459 43.532 42.059 0.024 0.000 1.223 1742 L HN 0.730 nan 8.230 nan 0.000 0.421 1743 D N 1.333 121.728 120.400 -0.008 0.000 2.414 1743 D HA 0.013 4.559 4.640 -0.156 0.000 0.259 1743 D C 0.641 176.948 176.300 0.011 0.000 1.269 1743 D CA -0.274 53.725 54.000 -0.001 0.000 1.028 1743 D CB 0.578 41.374 40.800 -0.007 0.000 1.093 1743 D HN 0.583 nan 8.370 nan 0.000 0.545 1744 E N -1.073 119.134 120.200 0.013 0.000 2.347 1744 E HA -0.086 4.170 4.350 -0.156 0.000 0.196 1744 E C 0.762 177.380 176.600 0.030 0.000 1.008 1744 E CA 0.456 56.866 56.400 0.017 0.000 0.852 1744 E CB -0.219 29.488 29.700 0.013 0.000 0.783 1744 E HN 0.364 nan 8.360 nan 0.000 0.505 1745 N N -0.065 118.663 118.700 0.047 0.000 2.280 1745 N HA 0.022 4.668 4.740 -0.156 0.000 0.192 1745 N C 1.039 176.641 175.510 0.153 0.000 1.109 1745 N CA 0.813 53.915 53.050 0.087 0.000 0.855 1745 N CB 1.407 39.956 38.487 0.103 0.000 0.974 1745 N HN 0.305 nan 8.380 nan 0.000 0.482 1746 G N 1.001 109.861 108.800 0.101 0.000 2.176 1746 G HA2 -0.274 3.592 3.960 -0.156 0.000 0.253 1746 G HA3 -0.274 3.592 3.960 -0.156 0.000 0.253 1746 G C 0.025 174.938 174.900 0.022 0.000 0.979 1746 G CA -0.141 45.039 45.100 0.133 0.000 0.641 1746 G HN 0.276 nan 8.290 nan 0.000 0.530 1747 K N 0.181 120.523 120.400 -0.096 0.000 2.322 1747 K HA 0.453 4.679 4.320 -0.156 0.000 0.283 1747 K C 0.321 176.810 176.600 -0.186 0.000 1.042 1747 K CA -0.781 55.309 56.287 -0.328 0.000 0.958 1747 K CB 1.598 33.959 32.500 -0.232 0.000 0.984 1747 K HN 0.175 nan 8.250 nan 0.000 0.473 1748 L N 4.484 125.580 121.223 -0.211 0.000 2.534 1748 L HA -0.068 4.179 4.340 -0.156 0.000 0.271 1748 L C 0.728 177.558 176.870 -0.067 0.000 1.178 1748 L CA 0.521 55.299 54.840 -0.104 0.000 0.907 1748 L CB 0.781 42.780 42.059 -0.101 0.000 1.164 1748 L HN 0.528 nan 8.230 nan 0.000 0.482 1749 V N 2.958 122.852 119.914 -0.034 0.000 2.500 1749 V HA 0.156 4.182 4.120 -0.156 0.000 0.243 1749 V C 0.835 176.923 176.094 -0.011 0.000 1.039 1749 V CA 1.254 63.540 62.300 -0.023 0.000 1.053 1749 V CB -0.290 31.524 31.823 -0.016 0.000 0.695 1749 V HN 0.955 nan 8.190 nan 0.000 0.463 1750 S N -0.401 115.301 115.700 0.003 0.000 2.587 1750 S HA 0.630 5.006 4.470 -0.156 0.000 0.269 1750 S C -1.198 173.426 174.600 0.040 0.000 1.154 1750 S CA -0.893 57.313 58.200 0.010 0.000 0.824 1750 S CB 2.499 65.698 63.200 -0.003 0.000 1.118 1750 S HN 0.558 nan 8.310 nan 0.000 0.462 1751 E N -0.242 119.981 120.200 0.039 0.000 2.410 1751 E HA 0.856 5.112 4.350 -0.156 0.000 0.269 1751 E C -0.821 175.761 176.600 -0.031 0.000 0.937 1751 E CA -1.020 55.408 56.400 0.047 0.000 0.793 1751 E CB 2.096 31.892 29.700 0.159 0.000 1.314 1751 E HN 1.050 nan 8.360 nan 0.000 0.447 1752 S N 0.000 115.641 115.700 -0.099 0.000 2.498 1752 S HA 0.000 4.376 4.470 -0.156 0.000 0.327 1752 S CA 0.000 58.139 58.200 -0.101 0.000 1.107 1752 S CB 0.000 63.149 63.200 -0.086 0.000 0.593 1752 S HN 0.000 nan 8.310 nan 0.000 0.517