==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 19-DEC-10 3Q20 . COMPND 2 MOLECULE: RBCX PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS; . AUTHOR M.TARNAWSKI,S.KRZYWDA,A.SZCZEPANIAK,M.JASKOLSKI . 220 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12023.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 90.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 80.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 2 0 1 0 0 0 0 0 1 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 123 0, 0.0 2,-1.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 173.4 -6.3 -2.1 20.9 2 2 A D > + 0 0 103 1,-0.2 4,-1.9 2,-0.1 5,-0.2 -0.593 360.0 172.5 -89.3 89.0 -3.9 -2.7 18.0 3 3 A V H > S+ 0 0 26 -2,-1.6 4,-3.2 1,-0.2 5,-0.3 0.880 75.8 57.7 -66.7 -35.8 -1.1 -4.6 19.6 4 4 A K H > S+ 0 0 154 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.935 107.9 47.0 -59.5 -48.0 0.6 -5.3 16.2 5 5 A H H > S+ 0 0 91 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 115.4 45.3 -55.2 -49.5 0.8 -1.6 15.4 6 6 A I H X S+ 0 0 6 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.923 113.4 49.6 -66.2 -43.2 2.2 -0.7 18.9 7 7 A A H X S+ 0 0 3 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.925 113.8 46.6 -61.7 -43.5 4.7 -3.6 18.9 8 8 A K H X S+ 0 0 116 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.915 114.1 46.2 -62.3 -47.4 5.9 -2.6 15.4 9 9 A Q H X S+ 0 0 61 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.868 112.0 51.5 -66.1 -35.8 6.2 1.1 16.3 10 10 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.929 110.6 49.5 -63.2 -44.8 8.0 0.2 19.5 11 11 A T H X S+ 0 0 9 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.909 109.2 51.2 -60.9 -43.9 10.4 -1.9 17.5 12 12 A K H X S+ 0 0 106 -4,-2.5 4,-2.3 1,-0.2 41,-0.2 0.893 111.1 48.5 -60.3 -45.4 11.1 0.9 15.0 13 13 A T H X S+ 0 0 38 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.907 111.4 50.8 -57.5 -45.5 11.8 3.3 17.9 14 14 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.920 110.5 47.0 -61.4 -47.5 14.1 0.7 19.4 15 15 A I H X S+ 0 0 12 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.896 111.9 52.2 -64.2 -40.7 16.1 0.1 16.2 16 16 A S H X S+ 0 0 18 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.932 110.7 47.3 -61.2 -46.4 16.4 3.9 15.7 17 17 A Y H X S+ 0 0 35 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.916 112.7 47.8 -58.7 -48.0 17.8 4.3 19.2 18 18 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.845 107.4 57.6 -65.5 -34.6 20.3 1.5 18.8 19 19 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.928 108.9 45.1 -54.8 -50.8 21.4 2.9 15.5 20 20 A Y H X S+ 0 0 31 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.872 110.8 52.7 -67.5 -33.6 22.2 6.2 17.3 21 21 A Q H X S+ 0 0 12 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.913 108.7 52.2 -64.2 -38.3 24.0 4.3 20.1 22 22 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.901 105.3 54.0 -60.4 -44.5 26.0 2.5 17.3 23 23 A V H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.940 109.0 48.9 -55.6 -44.1 26.9 6.0 15.9 24 24 A R H X S+ 0 0 155 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.909 109.9 52.5 -61.3 -42.7 28.3 7.0 19.4 25 25 A T H X S+ 0 0 50 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.934 109.2 47.2 -61.0 -46.2 30.3 3.7 19.6 26 26 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.888 107.8 56.7 -67.9 -36.9 32.0 4.3 16.2 27 27 A I H X S+ 0 0 30 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.901 109.5 47.1 -52.6 -41.8 32.8 7.9 17.2 28 28 A G H X S+ 0 0 39 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.892 110.9 50.5 -70.3 -40.4 34.6 6.4 20.3 29 29 A Q H >X S+ 0 0 69 -4,-2.3 4,-1.5 1,-0.2 3,-0.6 0.865 106.1 55.1 -63.8 -40.4 36.5 3.8 18.2 30 30 A L H 3X S+ 0 0 1 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.796 98.5 64.8 -66.2 -28.6 37.6 6.4 15.8 31 31 A A H 3< S+ 0 0 54 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.903 106.3 42.0 -59.8 -38.4 39.1 8.2 18.8 32 32 A E H << S+ 0 0 172 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.813 131.5 21.9 -75.9 -34.9 41.6 5.3 19.4 33 33 A T H < S+ 0 0 107 -4,-1.5 -2,-0.2 1,-0.1 -3,-0.2 0.701 136.8 9.4-110.4 -22.5 42.5 4.8 15.7 34 34 A D >X - 0 0 62 -4,-3.1 3,-1.2 -5,-0.2 4,-0.9 -0.468 56.7-173.6-164.9 76.9 41.8 8.1 13.8 35 35 A P H 3> S+ 0 0 84 0, 0.0 4,-1.2 0, 0.0 3,-0.5 0.776 79.2 59.0 -56.0 -41.2 40.8 11.3 15.7 36 36 A P H 3> S+ 0 0 98 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.825 104.4 53.9 -56.2 -31.5 39.8 13.8 12.8 37 37 A R H <> S+ 0 0 56 -3,-1.2 4,-2.3 -7,-0.2 5,-0.2 0.845 99.1 62.5 -75.5 -27.6 37.1 11.3 11.6 38 38 A S H X S+ 0 0 16 -4,-0.9 4,-2.5 -3,-0.5 -1,-0.2 0.937 106.0 45.6 -52.8 -52.4 35.5 11.3 15.1 39 39 A L H X S+ 0 0 102 -4,-1.2 4,-3.0 2,-0.2 5,-0.2 0.871 111.2 52.1 -64.4 -40.2 34.8 15.0 14.9 40 40 A W H X S+ 0 0 73 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.964 111.5 45.7 -59.6 -50.5 33.4 14.8 11.4 41 41 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.893 114.0 49.9 -62.1 -40.0 31.0 12.0 12.4 42 42 A H H X S+ 0 0 113 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.958 114.3 44.5 -61.0 -51.2 30.0 13.9 15.5 43 43 A Q H X S+ 0 0 113 -4,-3.0 4,-0.9 1,-0.2 3,-0.4 0.880 110.5 53.0 -62.2 -43.5 29.3 17.1 13.5 44 44 A F H >X S+ 0 0 19 -4,-3.0 4,-0.9 1,-0.2 3,-0.6 0.927 108.2 52.2 -55.9 -45.5 27.5 15.3 10.7 45 45 A T H 3X S+ 0 0 16 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.739 95.3 70.1 -67.2 -25.3 25.1 13.7 13.3 46 46 A S H 3< S+ 0 0 74 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.907 113.5 26.7 -59.9 -44.8 24.2 17.1 14.9 47 47 A Q H << S+ 0 0 175 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.550 128.3 47.5 -90.3 -10.5 22.2 18.2 11.9 48 48 A E H < S+ 0 0 46 -4,-0.9 -2,-0.2 -5,-0.2 -3,-0.2 0.330 86.7 84.7-113.5 1.1 21.4 14.7 10.8 49 49 A S < + 0 0 49 -4,-1.3 2,-2.5 1,-0.2 -1,-0.1 0.765 67.2 87.0 -76.2 -24.6 20.2 13.2 14.1 50 50 A I S S+ 0 0 138 -4,-0.2 2,-0.3 -5,-0.1 -1,-0.2 -0.394 82.9 63.1 -84.1 65.8 16.7 14.5 13.8 51 51 A Q S S- 0 0 65 -2,-2.5 5,-0.1 -35,-0.0 -3,-0.0 -0.938 94.4 -68.4-177.0 155.2 15.4 11.5 11.8 52 52 A D >> - 0 0 38 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.149 51.9-112.5 -48.0 143.2 14.7 7.8 11.8 53 53 A G H 3> S+ 0 0 0 -41,-0.2 4,-2.6 1,-0.2 5,-0.2 0.835 116.0 55.3 -53.3 -35.4 17.9 5.7 11.9 54 54 A E H 3> S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 110.0 45.5 -71.1 -37.8 17.3 4.3 8.4 55 55 A R H <> S+ 0 0 108 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.844 112.2 52.4 -69.9 -38.2 17.1 7.8 6.9 56 56 A Y H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.936 109.2 49.4 -59.4 -48.2 20.2 8.9 8.9 57 57 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.905 107.8 53.7 -63.4 -38.6 22.2 6.0 7.6 58 58 A E H X S+ 0 0 28 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.918 110.1 47.8 -61.8 -38.8 21.1 6.8 4.0 59 59 A A H X S+ 0 0 3 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.915 112.6 49.1 -62.6 -45.6 22.4 10.3 4.5 60 60 A L H >X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 3,-0.9 0.891 105.9 56.5 -62.0 -43.4 25.7 8.9 6.0 61 61 A F H 3< S+ 0 0 6 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.821 101.0 58.1 -59.7 -36.2 26.2 6.5 3.1 62 62 A R H 3< S+ 0 0 183 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.794 121.7 26.2 -58.4 -31.4 26.1 9.3 0.6 63 63 A E H << S+ 0 0 115 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.1 0.877 139.6 8.0-104.3 -49.8 29.0 11.0 2.4 64 64 A Q >X + 0 0 52 -4,-3.3 4,-1.5 -5,-0.1 3,-0.9 -0.707 60.7 175.5-135.9 81.8 31.1 8.3 4.2 65 65 A P H 3> S+ 0 0 59 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.830 76.5 63.1 -68.4 -27.7 30.0 4.8 3.3 66 66 A D H 3> S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.874 107.5 46.3 -54.4 -38.7 32.8 2.9 5.3 67 67 A L H <> S+ 0 0 0 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.883 108.0 55.0 -72.7 -40.5 31.3 4.5 8.4 68 68 A G H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.911 109.3 49.0 -56.7 -43.9 27.7 3.6 7.4 69 69 A F H X S+ 0 0 82 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.904 108.5 51.3 -66.0 -41.2 28.8 -0.1 7.1 70 70 A R H X S+ 0 0 76 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.885 109.7 52.2 -61.3 -38.7 30.6 -0.1 10.5 71 71 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.884 104.2 54.7 -67.6 -38.7 27.4 1.2 12.0 72 72 A L H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.938 113.1 44.5 -55.7 -49.3 25.2 -1.5 10.5 73 73 A T H X S+ 0 0 76 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.931 114.3 46.8 -63.4 -50.1 27.5 -4.0 12.1 74 74 A V H X S+ 0 0 22 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.928 110.5 52.5 -57.2 -45.7 27.7 -2.4 15.5 75 75 A R H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.862 108.8 50.7 -64.5 -34.8 23.9 -1.8 15.8 76 76 A E H X S+ 0 0 50 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.2 0.909 112.4 46.7 -66.1 -42.4 23.3 -5.5 15.0 77 77 A H H X S+ 0 0 100 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.919 112.1 49.9 -64.5 -45.2 25.8 -6.5 17.7 78 78 A L H X S+ 0 0 11 -4,-3.0 4,-1.9 2,-0.2 5,-0.3 0.925 111.7 49.2 -57.2 -46.9 24.2 -4.0 20.2 79 79 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.913 110.2 50.4 -58.7 -46.9 20.8 -5.4 19.4 80 80 A E H < S+ 0 0 86 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.873 113.1 48.0 -57.0 -36.8 22.0 -9.0 19.9 81 81 A M H < S+ 0 0 48 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.829 122.5 29.2 -77.9 -33.0 23.6 -8.1 23.3 82 82 A V H >X S+ 0 0 0 -4,-1.9 3,-1.9 -5,-0.1 4,-1.0 0.734 94.4 89.8 -97.3 -24.3 20.6 -6.2 24.8 83 83 A A G >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.3 -3,-0.1 0.821 88.3 46.7 -50.8 -48.6 17.5 -7.9 23.2 84 84 A D G 34 S+ 0 0 102 -4,-0.4 4,-0.4 1,-0.3 -1,-0.3 0.673 110.2 53.9 -75.5 -17.2 16.9 -10.6 25.7 85 85 A Y G <> S+ 0 0 142 -3,-1.9 4,-2.3 1,-0.1 -1,-0.3 0.667 88.7 82.1 -79.7 -22.7 17.2 -8.2 28.7 86 86 A L H S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.961 115.5 37.4 -59.9 -46.8 11.4 -7.6 28.6 88 88 A E H > S+ 0 0 113 -4,-0.4 4,-2.7 1,-0.2 5,-0.3 0.887 117.6 51.1 -72.8 -37.7 12.3 -7.9 32.3 89 89 A M H X S+ 0 0 58 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.894 111.6 47.9 -65.2 -39.5 14.0 -4.5 32.3 90 90 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 5,-0.3 0.936 114.2 45.6 -63.8 -49.7 11.0 -2.8 30.8 91 91 A R H X S+ 0 0 47 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.959 118.8 41.7 -59.7 -51.1 8.5 -4.5 33.2 92 92 A A H X S+ 0 0 32 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.892 114.7 52.3 -62.6 -43.4 10.7 -3.8 36.3 93 93 A G H X S+ 0 0 15 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.894 111.0 45.8 -58.9 -45.7 11.5 -0.2 35.0 94 94 A I H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.899 112.3 51.7 -69.3 -35.5 7.8 0.6 34.5 95 95 A Q H X S+ 0 0 96 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.929 114.1 43.9 -63.5 -42.8 6.9 -0.8 38.0 96 96 A Q H X S+ 0 0 121 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.918 115.0 47.3 -70.3 -46.3 9.7 1.2 39.6 97 97 A A H X S+ 0 0 14 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.893 112.5 50.5 -62.3 -43.3 8.8 4.5 37.7 98 98 A N H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.907 109.5 50.7 -60.4 -45.2 5.1 4.0 38.5 99 99 A L H X S+ 0 0 122 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.941 112.0 47.1 -55.9 -46.4 5.8 3.5 42.2 100 100 A Q H X S+ 0 0 119 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.921 112.7 49.6 -65.3 -43.8 7.9 6.7 42.2 101 101 A Q H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.934 114.6 44.4 -60.5 -47.0 5.2 8.7 40.3 102 102 A R H X S+ 0 0 76 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.913 114.0 48.5 -64.7 -46.7 2.5 7.5 42.7 103 103 A A H X S+ 0 0 50 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.916 112.3 49.8 -60.1 -42.7 4.5 8.1 45.9 104 104 A Q H X S+ 0 0 78 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.892 113.0 45.7 -62.8 -44.7 5.5 11.6 44.7 105 105 A Q H X S+ 0 0 14 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.929 113.0 49.4 -67.8 -43.3 1.9 12.5 43.9 106 106 A L H X S+ 0 0 99 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.909 111.1 50.3 -58.3 -44.5 0.6 11.1 47.2 107 107 A E H X S+ 0 0 115 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.876 111.7 49.1 -62.8 -37.8 3.4 13.1 49.0 108 108 A R H X S+ 0 0 108 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.955 110.1 51.2 -61.8 -48.4 2.3 16.2 47.1 109 109 A M H < S+ 0 0 77 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.905 115.0 40.7 -57.8 -46.4 -1.4 15.5 48.1 110 110 A T H >X S+ 0 0 89 -4,-2.6 4,-1.7 1,-0.2 3,-0.9 0.738 110.7 58.5 -77.5 -24.2 -0.7 15.2 51.8 111 111 A Q H 3< S+ 0 0 101 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.830 94.9 65.7 -68.5 -33.9 1.8 18.1 51.7 112 112 A V T 3< S+ 0 0 120 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.214 109.4 38.9 -74.1 15.8 -1.1 20.3 50.4 113 113 A S T <4 0 0 98 -3,-0.9 -2,-0.2 0, 0.0 -1,-0.2 0.546 360.0 360.0-126.1 -43.6 -2.7 19.8 53.8 114 114 A E < 0 0 176 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