==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-MAY-04 1T6U . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [NI]; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR D.P.BARONDEAU,C.J.KASSMANN,C.K.BRUNS,J.A.TAINER,E.D.GETZOFF . 1397 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1091 78.1 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 . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 947 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.8 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 12 0 0 0 0 0 0 0 0 0 12 11 0 1 0 4 6 2 0 0 0 2 10 0 0 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 H 0 0 9 0, 0.0 8,-0.1 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 -2.5 27.1 -17.1 5.0 2 2 A C - 0 0 12 6,-0.1 398,-0.0 59,-0.0 399,-0.0 0.360 360.0-116.7-101.4 -0.5 25.0 -15.1 2.6 3 3 A D S S+ 0 0 14 54,-0.0 394,-0.0 1,-0.0 675,-0.0 0.595 91.6 101.2 74.9 20.7 21.8 -17.2 3.0 4 4 A L S S- 0 0 3 390,-0.1 2,-0.1 389,-0.0 390,-0.1 0.955 107.3-107.9 -64.4 -49.2 21.6 -18.4 -0.5 5 5 A P + 0 0 79 0, 0.0 389,-0.0 0, 0.0 56,-0.0 0.488 62.4 168.9 -78.6 147.3 22.7 -20.9 0.9 6 6 A C - 0 0 3 2,-0.2 3,-0.1 -2,-0.1 375,-0.1 0.640 40.7-132.3 -95.3 -15.8 26.3 -20.7 -0.4 7 7 A G + 0 0 46 1,-0.2 2,-0.6 371,-0.0 367,-0.0 0.432 65.5 124.9 76.4 4.7 27.7 -23.3 2.1 8 8 A V + 0 0 27 366,-0.0 2,-0.3 363,-0.0 -1,-0.2 -0.872 27.9 150.1-101.7 118.4 30.7 -21.1 3.0 9 9 A Y + 0 0 30 -2,-0.6 3,-0.0 -3,-0.1 49,-0.0 -0.996 13.5 165.3-142.4 150.0 31.2 -20.3 6.6 10 10 A D > - 0 0 47 -2,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.824 34.3-141.1-161.6 123.2 34.1 -19.6 8.9 11 11 A P T 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.649 92.9 87.0 -57.2 -14.4 34.1 -18.1 12.4 12 12 A A H 3> S+ 0 0 11 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.770 78.1 63.4 -53.9 -28.9 37.2 -16.2 11.3 13 13 A Q H <> S+ 0 0 19 -3,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.965 109.9 38.1 -62.4 -48.0 34.9 -13.5 9.9 14 14 A A H > S+ 0 0 1 -3,-0.4 4,-2.6 -4,-0.4 -2,-0.2 0.906 115.9 54.6 -64.6 -44.9 33.6 -12.8 13.5 15 15 A R H X S+ 0 0 82 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.918 105.6 49.8 -58.2 -45.2 37.1 -13.3 15.0 16 16 A I H X S+ 0 0 3 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.907 111.7 48.6 -68.3 -34.0 38.9 -10.8 12.8 17 17 A E H X S+ 0 0 4 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.921 112.4 48.8 -68.7 -40.3 36.3 -8.1 13.5 18 18 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.859 108.6 54.4 -65.7 -34.5 36.6 -8.8 17.3 19 19 A E H X S+ 0 0 70 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.916 107.8 49.4 -60.1 -42.9 40.4 -8.7 16.9 20 20 A S H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.936 108.2 54.3 -66.4 -38.0 40.0 -5.2 15.4 21 21 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.951 111.3 44.7 -55.9 -51.0 37.7 -4.2 18.3 22 22 A K H X S+ 0 0 26 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.910 112.1 52.4 -61.3 -40.5 40.4 -5.2 20.8 23 23 A A H X S+ 0 0 11 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.909 108.6 50.4 -61.8 -43.1 43.1 -3.5 18.9 24 24 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.929 109.0 51.9 -59.9 -45.6 41.1 -0.3 18.8 25 25 A Q H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.929 109.2 50.1 -58.2 -45.5 40.6 -0.5 22.5 26 26 A E H >X S+ 0 0 79 -4,-2.6 3,-0.7 1,-0.2 4,-0.7 0.927 110.5 49.9 -58.7 -44.0 44.4 -0.9 23.1 27 27 A K H >X S+ 0 0 85 -4,-2.3 3,-0.9 1,-0.2 4,-0.5 0.865 101.8 62.1 -66.2 -31.5 45.1 2.1 20.9 28 28 A M H >< S+ 0 0 4 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.832 99.6 55.3 -60.6 -31.0 42.6 4.2 22.7 29 29 A A H << S+ 0 0 13 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.753 107.9 50.7 -75.7 -18.9 44.7 3.8 25.8 30 30 A G H << S+ 0 0 72 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.2 0.411 113.7 38.1 -99.0 -0.8 47.7 5.1 24.0 31 31 A N << - 0 0 65 -3,-0.7 -1,-0.2 -4,-0.5 0, 0.0 -0.766 52.8-179.0-153.3 101.2 46.4 8.3 22.5 32 32 A D + 0 0 98 -2,-0.3 -4,-0.1 -3,-0.2 -1,-0.1 0.259 36.9 136.6 -89.4 12.4 43.9 10.5 24.5 33 33 A D > - 0 0 66 1,-0.1 4,-3.0 2,-0.1 5,-0.3 -0.342 58.0-133.3 -53.3 126.7 43.6 13.1 21.6 34 34 A P H > S+ 0 0 91 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.916 103.1 49.1 -53.9 -44.0 39.8 13.9 21.4 35 35 A H H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.939 114.0 46.1 -62.9 -45.3 39.6 13.5 17.6 36 36 A F H > S+ 0 0 31 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.924 111.6 52.1 -57.8 -47.6 41.4 10.2 17.7 37 37 A Q H X S+ 0 0 28 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.901 110.1 48.7 -59.8 -38.8 39.3 9.0 20.5 38 38 A T H X S+ 0 0 11 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.939 111.7 48.2 -65.2 -45.6 36.1 9.9 18.6 39 39 A R H X S+ 0 0 7 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.914 111.1 51.4 -59.0 -44.4 37.3 8.1 15.5 40 40 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.879 110.3 49.4 -60.9 -39.4 38.3 5.1 17.5 41 41 A T H X S+ 0 0 3 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.931 110.7 49.5 -67.9 -45.3 34.8 5.0 19.1 42 42 A V H X S+ 0 0 5 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.940 116.3 42.2 -53.9 -49.9 33.1 5.3 15.7 43 43 A I H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.913 110.5 54.7 -70.1 -43.1 35.1 2.5 14.2 44 44 A K H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.918 107.7 52.1 -54.4 -43.2 34.9 0.2 17.3 45 45 A E H X S+ 0 0 10 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.932 111.5 46.3 -62.6 -41.7 31.1 0.5 17.1 46 46 A Q H X S+ 0 0 73 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.917 113.8 45.6 -66.2 -46.6 31.1 -0.5 13.4 47 47 A R H X S+ 0 0 33 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.906 111.6 52.7 -69.2 -36.3 33.4 -3.4 13.7 48 48 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.901 108.5 51.4 -62.6 -42.6 31.7 -4.7 16.8 49 49 A E H X S+ 0 0 68 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.911 108.9 50.2 -60.3 -41.1 28.3 -4.6 14.9 50 50 A L H X S+ 0 0 67 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.907 108.4 53.1 -62.7 -42.4 29.8 -6.5 12.0 51 51 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.916 107.0 52.5 -59.6 -41.4 31.1 -9.2 14.5 52 52 A K H X S+ 0 0 11 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.927 108.2 50.9 -61.0 -44.0 27.6 -9.5 15.9 53 53 A H H X S+ 0 0 67 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.947 110.2 49.1 -56.2 -48.6 26.2 -10.1 12.4 54 54 A H H X S+ 0 0 28 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.919 113.0 46.3 -60.4 -42.3 28.8 -12.8 11.7 55 55 A V H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.938 112.1 50.8 -67.7 -41.7 28.1 -14.6 15.0 56 56 A S H X S+ 0 0 13 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.915 109.1 51.8 -60.7 -42.9 24.3 -14.4 14.6 57 57 A V H X>S+ 0 0 13 -4,-2.7 4,-2.7 1,-0.2 5,-1.2 0.912 106.8 52.6 -61.6 -43.3 24.6 -15.8 11.0 58 58 A L H X>S+ 0 0 10 -4,-2.0 5,-2.9 -5,-0.2 4,-0.8 0.952 113.9 45.2 -52.8 -46.2 26.6 -18.8 12.2 59 59 A W H <5S+ 0 0 0 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.898 123.1 31.6 -65.9 -47.7 23.9 -19.5 14.8 60 60 A S H <5S+ 0 0 3 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.836 132.4 25.8 -83.0 -33.3 20.9 -19.0 12.6 61 61 A D H <5S+ 0 0 13 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.869 126.6 33.8-107.2 -39.2 22.2 -20.2 9.2 62 62 A Y T <> - 0 0 105 -2,-0.1 4,-1.6 1,-0.0 3,-1.4 -0.769 40.3 -80.9-131.3 169.7 21.1 -26.9 12.8 65 65 A P H 3> S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.847 122.6 53.8 -45.0 -45.3 19.0 -28.9 15.1 66 66 A P H 3> S+ 0 0 89 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.901 108.6 51.7 -61.0 -32.8 21.4 -31.9 15.6 67 67 A H H <> S+ 0 0 38 -3,-1.4 4,-2.9 2,-0.2 7,-0.2 0.901 107.9 50.7 -68.2 -41.3 24.1 -29.4 16.6 68 68 A F H < S+ 0 0 14 -4,-1.6 -1,-0.2 2,-0.2 6,-0.2 0.835 112.1 48.3 -67.1 -30.2 21.7 -27.8 19.3 69 69 A E H < S+ 0 0 170 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.914 115.6 43.4 -73.3 -42.0 21.0 -31.3 20.6 70 70 A K H < S+ 0 0 146 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.856 125.0 35.4 -68.7 -36.9 24.7 -32.2 20.8 71 71 A Y >< + 0 0 14 -4,-2.9 3,-2.0 -5,-0.1 4,-0.4 -0.746 67.0 172.2-119.7 78.1 25.7 -28.9 22.2 72 72 A P T 3 S+ 0 0 99 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.702 79.3 57.4 -63.2 -17.4 22.8 -27.9 24.5 73 73 A E T 3> S+ 0 0 100 1,-0.1 4,-2.3 2,-0.1 5,-0.1 0.491 82.4 89.8 -85.2 -8.1 24.9 -24.9 25.7 74 74 A L H <> S+ 0 0 0 -3,-2.0 4,-2.8 1,-0.2 5,-0.3 0.884 81.0 53.6 -66.6 -42.0 25.3 -23.5 22.2 75 75 A H H > S+ 0 0 21 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.951 114.5 41.8 -55.2 -50.8 22.2 -21.3 22.2 76 76 A Q H > S+ 0 0 61 -4,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.847 111.7 57.0 -67.1 -34.6 23.3 -19.6 25.5 77 77 A L H X S+ 0 0 12 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.933 108.0 45.9 -61.1 -46.4 26.8 -19.4 24.3 78 78 A V H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.934 113.1 50.6 -64.2 -41.1 25.9 -17.5 21.2 79 79 A N H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.928 111.7 47.6 -60.3 -45.3 23.6 -15.2 23.2 80 80 A D H X S+ 0 0 45 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.829 109.5 54.1 -63.2 -35.8 26.5 -14.5 25.7 81 81 A T H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.923 109.1 47.3 -63.3 -45.4 28.9 -13.9 22.8 82 82 A L H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.924 111.9 50.5 -64.5 -40.9 26.5 -11.2 21.4 83 83 A K H X S+ 0 0 45 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.837 107.6 53.9 -63.0 -35.8 26.1 -9.7 24.8 84 84 A A H X S+ 0 0 10 -4,-2.0 4,-2.0 2,-0.2 16,-0.3 0.863 107.2 51.4 -67.0 -33.5 29.9 -9.6 25.2 85 85 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.885 107.7 51.8 -69.0 -39.8 30.2 -7.8 21.9 86 86 A S H X S+ 0 0 23 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.896 109.2 51.0 -59.9 -42.4 27.6 -5.2 23.1 87 87 A A H < S+ 0 0 54 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.889 107.6 52.6 -65.2 -36.5 29.8 -4.8 26.2 88 88 A A H >< S+ 0 0 0 -4,-2.0 3,-1.3 8,-0.2 -2,-0.2 0.897 105.2 55.3 -66.6 -40.5 32.9 -4.2 24.1 89 89 A K H 3< S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.937 109.5 48.1 -50.3 -45.7 31.0 -1.5 22.1 90 90 A G T 3< S+ 0 0 39 -4,-1.7 2,-0.3 -5,-0.1 -1,-0.2 0.485 109.4 67.1 -74.4 -7.7 30.3 0.2 25.4 91 91 A S < - 0 0 28 -3,-1.3 -66,-0.0 -4,-0.4 6,-0.0 -0.881 52.6-161.3-126.7 148.2 34.0 -0.0 26.7 92 92 A K + 0 0 30 -2,-0.3 -63,-0.2 -64,-0.0 -64,-0.1 0.481 68.7 108.2 -90.6 -11.4 37.5 1.2 26.0 93 93 A D >> - 0 0 35 1,-0.2 3,-2.1 -65,-0.1 4,-0.8 -0.638 63.1-150.5 -77.2 115.4 38.9 -1.7 28.0 94 94 A P H 3> S+ 0 0 10 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.670 93.3 72.9 -60.3 -17.1 40.6 -4.3 25.7 95 95 A A H 3> S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.791 94.2 54.2 -62.9 -26.8 39.7 -6.9 28.3 96 96 A T H <> S+ 0 0 30 -3,-2.1 4,-2.1 2,-0.2 -8,-0.2 0.917 108.3 47.4 -73.1 -43.7 36.1 -6.6 27.0 97 97 A G H X S+ 0 0 0 -4,-0.8 4,-2.0 1,-0.2 -2,-0.2 0.893 111.6 51.7 -61.1 -37.0 37.3 -7.2 23.5 98 98 A Q H X S+ 0 0 53 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.888 105.0 55.2 -68.3 -36.7 39.3 -10.2 24.7 99 99 A K H X S+ 0 0 104 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.943 107.9 49.6 -60.4 -44.5 36.2 -11.6 26.5 100 100 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 -16,-0.3 -1,-0.2 0.913 110.3 51.4 -58.9 -41.5 34.3 -11.4 23.2 101 101 A L H X S+ 0 0 21 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.885 107.4 52.3 -60.8 -37.8 37.3 -13.2 21.5 102 102 A D H X S+ 0 0 83 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.905 110.5 47.6 -69.9 -36.6 37.2 -15.9 24.1 103 103 A Y H X S+ 0 0 45 -4,-2.2 4,-2.0 2,-0.2 3,-0.3 0.920 111.1 50.6 -65.7 -44.6 33.5 -16.5 23.5 104 104 A I H X S+ 0 0 5 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.896 106.0 58.0 -57.2 -37.2 34.1 -16.6 19.8 105 105 A A H X S+ 0 0 55 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.875 104.2 50.5 -62.4 -36.3 36.8 -19.1 20.4 106 106 A Q H X S+ 0 0 103 -4,-1.4 4,-1.7 -3,-0.3 -1,-0.2 0.917 111.5 47.6 -65.4 -43.2 34.3 -21.4 22.1 107 107 A I H X S+ 0 0 2 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.906 110.8 52.8 -63.1 -40.6 32.0 -21.1 19.1 108 108 A D H X S+ 0 0 44 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.914 105.2 54.2 -62.6 -39.4 34.9 -21.8 16.8 109 109 A K H X S+ 0 0 140 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.946 113.2 42.1 -61.7 -45.7 35.8 -25.0 18.7 110 110 A I H X S+ 0 0 12 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.955 111.1 57.2 -63.9 -48.8 32.2 -26.3 18.3 111 111 A F H X S+ 0 0 0 -4,-3.1 4,-0.9 1,-0.2 -2,-0.2 0.948 109.1 44.2 -45.7 -56.8 32.1 -25.1 14.6 112 112 A W H >X>S+ 0 0 93 -4,-2.5 5,-1.4 1,-0.2 3,-0.6 0.879 109.4 56.3 -68.6 -31.6 35.2 -27.1 13.6 113 113 A E H ><5S+ 0 0 77 -4,-1.8 3,-1.3 -5,-0.3 -1,-0.2 0.943 106.9 50.8 -59.2 -43.0 34.0 -30.2 15.6 114 114 A T H 3<5S+ 0 0 25 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.726 99.4 62.0 -69.0 -14.8 30.8 -30.1 13.5 115 115 A K H <<5S- 0 0 104 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.566 130.8-101.9 -85.2 -14.2 32.9 -29.9 10.2 116 116 A K T <<5 0 0 196 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.087 360.0 360.0 130.9 10.1 33.9 -33.2 11.5 117 117 A A < 0 0 112 -5,-1.4 -1,-0.1 -6,-0.1 -5,-0.0 0.530 360.0 360.0 -83.6 360.0 37.3 -32.2 13.0 118 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 119 1 B H 0 0 10 0, 0.0 8,-0.1 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 0.2 7.8 0.9 1.8 120 2 B C - 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