==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 12-SEP-01 1JYH . COMPND 2 MOLECULE: DNA GYRASE INHIBITORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.J.ROMANOWSKI,S.A.GIBNEY,S.K.BURLEY,NEW YORK SGX RESEARCH . 155 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 70.3 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 . 51 32.9 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 . 15 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 1 2 2 1 0 2 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 . 1 0 0 0 0 0 1 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 64 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.2 14.8 28.2 22.4 2 2 A N + 0 0 150 96,-0.1 96,-0.3 114,-0.0 2,-0.3 -0.339 360.0 153.3 -77.8 153.4 15.5 24.7 23.6 3 3 A Y - 0 0 57 94,-0.1 2,-0.3 -2,-0.1 94,-0.2 -0.965 23.2-149.9-165.6 165.0 14.3 23.0 26.8 4 4 A E E -A 96 0A 129 92,-1.5 92,-2.5 -2,-0.3 2,-0.4 -0.974 26.3-107.7-143.8 155.8 13.5 19.6 28.2 5 5 A I E -A 95 0A 43 -2,-0.3 2,-0.4 90,-0.2 90,-0.2 -0.739 36.0-175.9 -90.6 130.2 11.0 18.4 30.9 6 6 A K E -A 94 0A 90 88,-2.8 88,-2.4 -2,-0.4 2,-0.9 -0.957 28.4-127.9-127.9 144.3 12.5 17.2 34.2 7 7 A Q E -A 93 0A 138 -2,-0.4 2,-0.3 86,-0.2 86,-0.2 -0.802 37.4-167.0 -90.5 106.2 10.9 15.7 37.3 8 8 A E E -A 92 0A 30 84,-2.8 84,-2.4 -2,-0.9 2,-0.2 -0.708 15.9-134.9 -98.6 145.4 12.1 17.8 40.2 9 9 A E - 0 0 173 -2,-0.3 -1,-0.0 82,-0.2 0, 0.0 -0.493 45.5 -80.5 -86.9 165.6 11.9 17.2 43.9 10 10 A K - 0 0 123 -2,-0.2 2,-0.4 81,-0.1 80,-0.2 -0.199 43.8-136.0 -62.7 159.8 10.8 20.0 46.2 11 11 A R E -B 89 0A 21 78,-2.9 78,-2.5 -3,-0.1 2,-0.6 -0.975 1.0-145.2-122.5 133.5 13.3 22.7 47.2 12 12 A T E -BC 88 71A 19 59,-0.7 59,-2.6 -2,-0.4 2,-0.4 -0.865 29.3-172.4 -94.1 125.2 13.8 24.2 50.7 13 13 A V E -BC 87 70A 1 74,-2.7 74,-2.4 -2,-0.6 2,-0.4 -0.952 15.3-168.0-126.8 145.6 14.7 27.8 50.3 14 14 A A E +BC 86 69A 0 55,-2.2 55,-2.4 -2,-0.4 2,-0.3 -0.990 42.0 69.0-130.4 135.8 15.8 30.6 52.7 15 15 A G E S-BC 85 68A 0 70,-2.2 70,-2.9 -2,-0.4 2,-0.4 -0.918 73.7 -25.0 165.3-136.5 16.0 34.3 52.0 16 16 A F E - C 0 67A 23 51,-2.3 51,-2.4 -2,-0.3 2,-0.5 -0.937 32.7-149.8-125.6 143.1 13.9 37.3 51.4 17 17 A H E - C 0 66A 88 -2,-0.4 2,-0.4 66,-0.3 49,-0.2 -0.904 23.4-170.5-105.1 128.8 10.5 38.1 50.1 18 18 A L E - C 0 65A 11 47,-2.9 47,-1.9 -2,-0.5 2,-0.4 -0.964 13.8-157.8-128.8 143.0 10.0 41.4 48.4 19 19 A V E + C 0 64A 90 -2,-0.4 45,-0.2 45,-0.2 43,-0.1 -0.954 54.0 46.5-117.7 130.6 7.1 43.4 47.1 20 20 A G S S- 0 0 6 43,-2.5 41,-0.2 -2,-0.4 -2,-0.1 -0.738 95.0 -14.4 133.0 178.8 7.3 46.0 44.4 21 21 A P >> - 0 0 45 0, 0.0 4,-2.2 0, 0.0 3,-1.8 -0.262 54.1-137.4 -55.2 131.2 8.9 46.7 41.0 22 22 A W H 3>>S+ 0 0 43 1,-0.3 4,-1.1 2,-0.2 5,-0.5 0.713 96.3 78.2 -64.8 -21.1 11.6 44.1 40.2 23 23 A E H 345S+ 0 0 154 1,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.696 115.5 18.1 -60.7 -18.0 13.9 46.8 38.8 24 24 A Q H <>5S+ 0 0 121 -3,-1.8 4,-2.1 3,-0.1 -2,-0.2 0.706 122.1 54.9-118.9 -44.4 14.6 47.5 42.5 25 25 A T H X5S+ 0 0 12 -4,-2.2 4,-3.4 2,-0.2 5,-0.2 0.876 103.0 54.2 -64.8 -41.4 13.6 44.6 44.6 26 26 A V H X5S+ 0 0 26 -4,-1.1 4,-2.3 2,-0.2 5,-0.2 0.964 113.8 41.0 -59.1 -53.2 15.6 41.8 42.9 27 27 A K H >S+ 0 0 4 -4,-3.1 5,-2.3 1,-0.2 4,-0.5 0.914 114.5 43.8 -55.2 -46.0 24.7 34.0 53.8 38 38 A D H ><5S+ 0 0 111 -4,-2.5 3,-1.1 -5,-0.2 -1,-0.2 0.932 110.7 53.5 -66.6 -46.2 28.1 35.3 54.5 39 39 A S H 3<5S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.817 116.7 39.1 -59.3 -31.3 27.4 36.3 58.1 40 40 A K T 3<5S- 0 0 59 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.406 105.4-125.0-100.1 0.8 26.1 32.8 58.8 41 41 A N T < 5 + 0 0 142 -3,-1.1 2,-0.2 -4,-0.5 -3,-0.2 0.887 46.8 175.6 56.3 40.8 28.7 30.9 56.8 42 42 A I < - 0 0 22 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.0 -0.546 27.9-145.5 -79.7 142.3 25.9 29.2 54.9 43 43 A V - 0 0 125 -2,-0.2 2,-0.1 26,-0.0 -1,-0.0 -0.858 22.1-155.2-109.5 94.5 26.9 26.9 52.0 44 44 A P - 0 0 35 0, 0.0 27,-0.2 0, 0.0 3,-0.1 -0.362 18.8-156.7 -72.6 148.5 24.1 27.3 49.4 45 45 A K S S+ 0 0 142 25,-2.9 2,-0.3 1,-0.3 26,-0.1 0.785 82.4 3.3 -88.7 -32.2 23.2 24.6 46.8 46 46 A E E -D 70 0A 33 24,-0.8 24,-2.0 2,-0.0 2,-0.6 -0.991 60.7-135.4-151.5 151.7 21.7 27.2 44.5 47 47 A W E -D 69 0A 77 87,-0.4 87,-2.5 -2,-0.3 2,-0.3 -0.967 42.6-175.7-108.4 121.0 21.1 31.0 44.3 48 48 A V E -DE 68 133A 0 20,-3.2 20,-2.6 -2,-0.6 2,-0.5 -0.934 31.8-160.7-131.8 146.3 17.5 31.5 43.1 49 49 A A E -DE 67 132A 1 83,-1.9 83,-2.1 -2,-0.3 2,-0.4 -0.989 18.4-162.0-118.7 124.7 15.0 34.2 42.1 50 50 A V E -DE 66 131A 1 16,-2.6 16,-2.0 -2,-0.5 2,-0.5 -0.928 2.4-157.3-110.1 132.4 11.3 33.1 42.3 51 51 A Y E +DE 65 130A 27 79,-2.8 79,-1.4 -2,-0.4 14,-0.2 -0.941 15.1 178.0-114.4 126.6 8.7 35.1 40.5 52 52 A Y + 0 0 73 12,-2.0 2,-0.3 -2,-0.5 13,-0.1 0.519 63.5 42.0-103.3 -6.8 5.0 35.0 41.5 53 53 A D S S- 0 0 34 11,-0.5 10,-0.0 5,-0.1 3,-0.0 -0.907 78.2-110.6-138.6 164.4 3.4 37.4 39.0 54 54 A N >> - 0 0 72 -2,-0.3 4,-2.9 1,-0.1 3,-1.9 -0.868 24.8-151.8 -95.2 114.7 3.5 38.4 35.4 55 55 A P T 34 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.592 92.9 58.4 -65.3 -9.9 5.0 41.8 35.2 56 56 A D T 34 S+ 0 0 146 3,-0.1 4,-0.0 1,-0.0 -2,-0.0 0.500 120.6 25.2 -95.2 -3.7 3.1 42.7 32.0 57 57 A E T <4 S+ 0 0 153 -3,-1.9 3,-0.0 1,-0.2 -1,-0.0 0.683 107.5 70.7-123.8 -42.6 -0.3 42.1 33.7 58 58 A T S < S- 0 0 37 -4,-2.9 -1,-0.2 1,-0.1 5,-0.1 -0.670 91.4-105.2 -84.2 131.3 0.1 42.7 37.5 59 59 A P >> - 0 0 80 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.259 28.7-120.0 -55.1 139.4 0.7 46.3 38.6 60 60 A A G >4 S+ 0 0 50 1,-0.3 3,-1.2 2,-0.2 -40,-0.2 0.822 110.5 62.1 -51.0 -39.0 4.3 46.9 39.6 61 61 A E G 34 S+ 0 0 169 1,-0.3 -1,-0.3 -41,-0.2 -3,-0.0 0.721 108.7 44.1 -61.6 -21.2 3.4 47.9 43.2 62 62 A K G <4 S+ 0 0 140 -3,-2.1 -1,-0.3 -43,-0.1 -2,-0.2 0.430 82.4 124.4-104.5 -0.9 1.9 44.4 43.7 63 63 A L << - 0 0 7 -3,-1.2 -43,-2.5 -4,-0.5 2,-0.4 -0.316 43.5-158.3 -62.6 142.6 4.7 42.3 42.1 64 64 A R E +C 19 0A 102 -45,-0.2 -12,-2.0 2,-0.0 -11,-0.5 -0.968 18.6 159.3-126.7 140.3 6.2 39.6 44.3 65 65 A C E -CD 18 51A 1 -47,-1.9 -47,-2.9 -2,-0.4 2,-0.4 -0.986 26.1-140.9-153.8 154.2 9.5 37.8 44.1 66 66 A D E -CD 17 50A 3 -16,-2.0 -16,-2.6 -2,-0.3 2,-0.6 -0.971 3.9-161.8-119.0 135.9 11.8 35.8 46.4 67 67 A T E +CD 16 49A 0 -51,-2.4 -51,-2.3 -2,-0.4 2,-0.3 -0.962 40.7 142.2-115.3 106.9 15.6 36.1 46.4 68 68 A V E -CD 15 48A 0 -20,-2.6 -20,-3.2 -2,-0.6 2,-0.4 -0.836 49.1-119.0-141.0 175.0 16.8 33.0 48.2 69 69 A V E -CD 14 47A 0 -55,-2.4 -55,-2.2 -2,-0.3 2,-0.4 -0.954 30.3-122.9-119.2 139.7 19.3 30.2 48.4 70 70 A T E +CD 13 46A 4 -24,-2.0 -25,-2.9 -2,-0.4 -24,-0.8 -0.710 38.3 177.5 -82.3 130.7 18.3 26.5 48.1 71 71 A V E -C 12 0A 3 -59,-2.6 -59,-0.7 -2,-0.4 -29,-0.0 -0.797 36.2 -74.8-127.6 169.2 19.4 24.6 51.2 72 72 A P > - 0 0 31 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.279 43.6-113.5 -64.1 154.2 19.0 20.9 52.4 73 73 A G T 3 S+ 0 0 63 1,-0.3 -60,-0.1 -63,-0.1 -62,-0.0 0.771 117.7 53.4 -58.8 -26.9 15.6 19.8 53.6 74 74 A Y T 3 S+ 0 0 193 2,-0.1 -1,-0.3 -62,-0.1 0, 0.0 0.309 79.4 146.1 -91.2 7.5 17.0 19.4 57.1 75 75 A F < - 0 0 39 -3,-2.1 2,-0.6 1,-0.1 -4,-0.0 -0.161 39.3-148.9 -48.7 129.8 18.4 22.9 57.2 76 76 A T - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.927 21.1-120.9-105.7 118.9 18.3 24.5 60.7 77 77 A L - 0 0 67 -2,-0.6 3,-0.1 1,-0.1 4,-0.1 -0.390 32.5-117.6 -60.8 124.4 17.9 28.3 60.5 78 78 A P - 0 0 36 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.232 35.3 -92.8 -61.7 151.9 20.8 30.0 62.3 79 79 A E S S+ 0 0 165 1,-0.2 3,-0.0 -39,-0.0 0, 0.0 -0.215 107.1 28.7 -61.4 157.2 20.2 32.1 65.3 80 80 A N S S+ 0 0 140 1,-0.1 -1,-0.2 -3,-0.1 2,-0.0 0.939 72.8 143.1 54.0 56.5 19.6 35.8 64.8 81 81 A S > + 0 0 16 -3,-0.2 3,-1.6 -4,-0.1 -1,-0.1 -0.432 26.1 177.6-118.8 54.0 18.2 35.6 61.3 82 82 A E T 3 + 0 0 181 1,-0.2 3,-0.1 -3,-0.0 -3,-0.0 -0.287 65.4 15.9 -62.4 141.8 15.6 38.3 61.5 83 83 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 -67,-0.0 -66,-0.3 0.341 93.5 128.9 79.8 -6.5 13.5 39.0 58.4 84 84 A V < - 0 0 20 -3,-1.6 2,-0.2 -68,-0.1 -1,-0.2 -0.695 45.8-151.2 -88.1 127.3 14.6 35.8 56.7 85 85 A I E -B 15 0A 54 -70,-2.9 -70,-2.2 -2,-0.4 2,-0.4 -0.650 5.8-163.7 -93.8 152.3 11.9 33.5 55.3 86 86 A L E +B 14 0A 77 -2,-0.2 -72,-0.2 -72,-0.2 2,-0.2 -0.953 34.2 125.1-135.9 113.0 12.2 29.7 55.1 87 87 A T E -B 13 0A 65 -74,-2.4 -74,-2.7 -2,-0.4 2,-0.3 -0.708 47.3 -90.5-148.0-160.9 9.7 28.0 52.8 88 88 A E E -B 12 0A 95 -76,-0.2 2,-0.5 -2,-0.2 -76,-0.2 -0.945 4.7-149.3-132.9 151.6 9.5 25.6 49.8 89 89 A I E -B 11 0A 7 -78,-2.5 -78,-2.9 -2,-0.3 -2,-0.0 -0.973 44.8-116.1-109.4 124.3 9.3 25.6 46.0 90 90 A T - 0 0 75 -2,-0.5 2,-0.1 -80,-0.2 -82,-0.1 -0.155 19.8-125.0 -64.6 157.4 7.2 22.5 45.1 91 91 A G + 0 0 24 -81,-0.1 2,-0.3 -84,-0.0 -82,-0.2 -0.276 55.0 103.0 -88.0-178.6 8.4 19.5 43.2 92 92 A G E S-A 8 0A 19 -84,-2.4 -84,-2.8 -2,-0.1 2,-0.4 -0.863 76.1 -30.7 135.1-170.2 6.7 18.3 40.0 93 93 A Q E -A 7 0A 50 59,-0.4 59,-2.1 -2,-0.3 2,-0.4 -0.678 59.3-179.4 -84.9 135.9 7.5 18.5 36.3 94 94 A Y E -AF 6 151A 1 -88,-2.4 -88,-2.8 -2,-0.4 2,-0.4 -0.996 29.0-130.2-135.4 139.8 9.3 21.5 35.1 95 95 A A E -AF 5 150A 0 55,-3.2 55,-2.3 -2,-0.4 2,-0.4 -0.742 33.8-156.8 -82.7 136.7 10.5 22.6 31.6 96 96 A V E +AF 4 149A 11 -92,-2.5 -92,-1.5 -2,-0.4 2,-0.3 -0.975 16.2 176.6-125.3 130.6 14.1 23.6 32.0 97 97 A A E - F 0 148A 2 51,-2.0 51,-2.6 -2,-0.4 2,-0.4 -0.964 15.0-150.4-131.2 147.8 16.1 25.9 29.8 98 98 A V E + F 0 147A 91 -96,-0.3 2,-0.3 -2,-0.3 49,-0.2 -0.958 22.7 165.5-120.9 136.5 19.7 27.2 30.0 99 99 A A E - F 0 146A 18 47,-2.3 47,-2.9 -2,-0.4 2,-0.5 -0.977 30.8-129.4-148.0 159.6 20.9 30.6 28.7 100 100 A R E - F 0 145A 155 -2,-0.3 2,-0.6 45,-0.2 45,-0.2 -0.953 17.9-156.6-114.7 126.5 23.7 33.0 28.8 101 101 A V E - F 0 144A 7 43,-3.1 43,-2.6 -2,-0.5 2,-0.6 -0.906 10.5-178.5-106.1 116.5 23.1 36.7 29.5 102 102 A V + 0 0 116 -2,-0.6 2,-0.3 41,-0.2 3,-0.2 -0.945 65.9 2.5-114.4 107.6 25.7 39.2 28.3 103 103 A G S S- 0 0 43 -2,-0.6 41,-0.1 39,-0.3 -2,-0.1 -0.890 111.2 -54.6 118.1-150.0 24.7 42.7 29.4 104 104 A D S S+ 0 0 152 -2,-0.3 2,-1.6 1,-0.1 3,-0.2 0.266 92.6 112.1-115.0 11.7 21.6 43.6 31.4 105 105 A D + 0 0 83 -3,-0.2 3,-0.2 1,-0.2 -3,-0.1 -0.549 25.7 150.7 -88.4 78.5 18.8 42.0 29.4 106 106 A F > + 0 0 52 -2,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.615 67.1 62.6 -80.7 -13.3 17.7 39.3 31.9 107 107 A A H > S+ 0 0 39 -3,-0.2 4,-2.3 2,-0.1 3,-0.3 0.814 86.4 74.1 -80.7 -31.3 14.2 39.4 30.6 108 108 A K H > S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.919 94.2 48.5 -49.6 -56.2 15.1 38.3 27.1 109 109 A P H > S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.874 110.7 52.8 -56.4 -35.9 15.7 34.6 27.9 110 110 A W H X S+ 0 0 18 -4,-0.5 4,-2.9 -3,-0.3 5,-0.2 0.937 110.3 46.6 -63.7 -47.1 12.5 34.4 29.8 111 111 A Y H X S+ 0 0 150 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.914 113.2 49.6 -61.3 -42.6 10.4 35.8 26.9 112 112 A Q H X S+ 0 0 86 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.918 112.5 48.2 -61.8 -43.2 12.2 33.4 24.5 113 113 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.949 111.9 47.8 -63.2 -51.8 11.5 30.5 26.8 114 114 A F H X S+ 0 0 67 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.919 110.8 51.2 -58.8 -44.3 7.8 31.3 27.3 115 115 A N H < S+ 0 0 100 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.897 113.2 45.1 -61.4 -39.9 7.2 31.8 23.6 116 116 A S H >< S+ 0 0 30 -4,-1.8 3,-1.0 -5,-0.2 -1,-0.2 0.888 111.8 51.4 -71.0 -38.9 8.8 28.4 22.7 117 117 A L H >< S+ 0 0 4 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.827 99.7 65.1 -67.3 -30.9 7.1 26.5 25.5 118 118 A L T 3< S+ 0 0 116 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.745 98.7 55.2 -64.0 -21.7 3.7 27.9 24.3 119 119 A Q T < S+ 0 0 131 -3,-1.0 -1,-0.3 -4,-0.5 2,-0.2 0.425 78.0 123.4 -91.0 0.4 4.3 25.9 21.1 120 120 A D < - 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