==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-APR-11 3RIR . COMPND 2 MOLECULE: BIOTIN-[ACETYL-COA-CARBOXYLASE] LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.C.J.WILCE . 322 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 21.7 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 . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 28 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 1 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 2 0 1 4 3 0 0 1 0 1 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 1 0 0 1 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 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 2 A S > 0 0 105 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0-162.6 34.3 17.6 50.5 2 3 A K T 3 + 0 0 174 1,-0.2 4,-0.1 2,-0.1 3,-0.1 0.707 360.0 36.3 -55.1 -20.7 32.9 14.1 49.9 3 4 A Y T 3> S+ 0 0 74 1,-0.1 4,-2.0 2,-0.1 5,-0.3 0.250 80.1 106.2-129.0 -2.8 29.8 15.9 48.5 4 5 A S H <> S+ 0 0 8 -3,-0.9 4,-2.1 1,-0.2 -2,-0.1 0.893 87.8 43.7 -51.8 -45.0 31.2 18.9 46.8 5 6 A Q H > S+ 0 0 62 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.838 110.4 56.3 -72.3 -32.3 30.5 17.4 43.3 6 7 A D H > S+ 0 0 62 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.873 111.3 42.4 -64.0 -39.1 27.1 16.1 44.3 7 8 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.914 112.3 55.2 -74.2 -44.1 26.0 19.6 45.3 8 9 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.904 107.5 50.1 -53.9 -43.8 27.6 21.0 42.3 9 10 A Q H X S+ 0 0 26 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.866 109.7 49.2 -61.2 -43.0 25.6 18.6 40.1 10 11 A L H X S+ 0 0 23 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.878 109.8 52.4 -68.3 -42.4 22.3 19.5 41.7 11 12 A L H < S+ 0 0 2 -4,-2.5 48,-0.5 2,-0.2 4,-0.5 0.870 114.5 42.7 -55.4 -41.5 23.0 23.2 41.3 12 13 A Y H >< S+ 0 0 42 -4,-1.7 3,-1.2 -5,-0.2 -2,-0.2 0.942 109.8 56.3 -79.5 -42.3 23.7 22.6 37.6 13 14 A K H 3< S+ 0 0 125 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.724 107.8 50.5 -51.0 -27.7 20.7 20.3 37.1 14 15 A N T >< S+ 0 0 51 -4,-1.1 3,-2.6 -3,-0.2 -1,-0.2 0.467 85.5 161.8-103.2 -9.1 18.3 23.0 38.4 15 16 A K T < + 0 0 92 -3,-1.2 3,-0.1 -4,-0.5 45,-0.0 -0.208 60.6 24.2 -42.1 140.9 19.4 26.0 36.3 16 17 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.867 116.4 68.4 -98.2 21.9 17.8 28.5 35.8 17 18 A N S < S- 0 0 108 -3,-2.6 2,-0.2 -6,-0.1 -3,-0.1 -0.627 79.3-117.5 -91.4 155.7 15.8 28.0 39.0 18 19 A Y - 0 0 55 -2,-0.2 2,-0.4 40,-0.1 40,-0.2 -0.636 20.6-157.2 -85.6 147.1 17.2 28.3 42.6 19 20 A I B -A 57 0A 20 38,-2.0 38,-2.7 -2,-0.2 36,-0.1 -0.996 19.9-120.0-121.6 136.9 17.2 25.4 45.0 20 21 A S > - 0 0 45 -2,-0.4 4,-2.0 36,-0.3 5,-0.2 -0.206 20.5-116.7 -63.3 160.5 17.3 25.9 48.8 21 22 A G H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.930 118.2 58.6 -56.3 -41.6 20.0 24.5 51.1 22 23 A Q H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 103.0 49.0 -58.7 -46.1 17.2 22.5 52.6 23 24 A S H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 111.7 48.9 -66.7 -38.9 16.3 20.8 49.4 24 25 A I H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.944 109.2 53.9 -61.5 -44.6 19.9 19.9 48.7 25 26 A A H X>S+ 0 0 6 -4,-2.7 5,-1.5 1,-0.2 4,-1.1 0.960 108.9 47.1 -57.9 -52.6 20.3 18.5 52.2 26 27 A E H <5S+ 0 0 132 -4,-2.5 3,-0.4 3,-0.2 -1,-0.2 0.887 110.1 55.6 -57.3 -37.7 17.4 16.2 51.9 27 28 A S H <5S+ 0 0 77 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.949 121.5 26.0 -62.1 -47.5 18.7 15.1 48.5 28 29 A L H <5S- 0 0 32 -4,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.320 108.3-120.6 -94.9 8.4 22.1 14.0 49.8 29 30 A N T <5 + 0 0 142 -4,-1.1 2,-0.3 -3,-0.4 -3,-0.2 0.970 68.0 125.0 47.6 62.6 20.9 13.4 53.3 30 31 A I < - 0 0 35 -5,-1.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.968 64.8 -79.8-145.5 165.7 23.1 15.8 55.1 31 32 A S > - 0 0 63 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.065 34.8-120.1 -60.9 157.9 22.8 18.7 57.4 32 33 A R H > S+ 0 0 122 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.840 115.0 52.2 -62.0 -27.9 21.8 22.2 56.2 33 34 A T H > S+ 0 0 89 2,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.767 103.3 53.8 -93.5 -21.4 25.1 23.5 57.6 34 35 A A H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 108.2 52.8 -68.1 -48.3 27.3 20.9 55.8 35 36 A V H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -2,-0.3 0.865 105.5 53.7 -53.1 -37.5 25.6 22.1 52.7 36 37 A K H X S+ 0 0 70 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.909 107.8 51.1 -69.6 -35.1 26.5 25.7 53.6 37 38 A K H X S+ 0 0 137 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.881 107.0 52.6 -65.5 -38.5 30.2 24.7 54.0 38 39 A V H X S+ 0 0 7 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.912 110.8 48.6 -64.4 -38.5 30.3 23.0 50.5 39 40 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.828 109.2 50.4 -72.3 -31.4 28.9 26.1 48.9 40 41 A D H X S+ 0 0 79 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.913 110.5 51.4 -73.4 -38.2 31.3 28.4 50.6 41 42 A Q H X S+ 0 0 78 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.920 110.5 48.2 -61.8 -41.1 34.1 26.2 49.4 42 43 A L H <>S+ 0 0 1 -4,-2.1 5,-2.0 2,-0.2 4,-0.4 0.932 110.9 49.2 -67.5 -45.1 32.8 26.3 45.9 43 44 A K H ><5S+ 0 0 68 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.885 108.6 56.3 -59.8 -37.3 32.5 30.0 45.9 44 45 A L H 3<5S+ 0 0 137 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.928 103.1 52.1 -60.3 -45.9 36.0 30.0 47.2 45 46 A E T 3<5S- 0 0 67 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.519 131.5 -95.2 -67.8 -3.8 37.1 28.0 44.2 46 47 A G T < 5S+ 0 0 23 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.2 0.659 72.1 147.5 99.8 13.7 35.5 30.7 42.0 47 48 A C < - 0 0 2 -5,-2.0 2,-0.8 15,-0.1 -1,-0.3 -0.616 45.6-135.4 -65.8 134.1 32.0 29.4 41.2 48 49 A K E +B 61 0A 113 13,-2.7 12,-3.4 -2,-0.3 13,-1.9 -0.925 36.0 167.2 -94.4 111.7 29.6 32.4 40.9 49 50 A I E -B 59 0A 14 -2,-0.8 2,-0.5 10,-0.2 10,-0.2 -0.994 29.0-142.5-125.1 119.7 26.5 31.2 42.9 50 51 A D E -B 58 0A 62 8,-1.9 8,-1.7 -2,-0.4 2,-0.6 -0.726 17.6-163.8 -79.6 122.1 23.8 33.7 43.8 51 52 A S E -B 57 0A 44 -2,-0.5 2,-0.4 6,-0.2 6,-0.2 -0.943 8.3-177.3-110.4 119.6 22.4 32.9 47.3 52 53 A V E >> -B 56 0A 51 4,-3.1 4,-2.6 -2,-0.6 3,-2.3 -0.961 31.6-107.5-121.2 131.1 19.1 34.5 48.3 53 54 A N T 34 S+ 0 0 144 -2,-0.4 -33,-0.0 1,-0.3 -2,-0.0 -0.196 102.1 3.7 -48.0 138.4 17.3 34.2 51.7 54 55 A H T 34 S+ 0 0 207 1,-0.2 -1,-0.3 0, 0.0 -34,-0.1 0.294 128.9 63.3 74.3 -8.7 14.3 32.0 51.5 55 56 A K T <4 S- 0 0 124 -3,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.748 88.7-146.5-118.6 -46.3 14.9 31.1 47.9 56 57 A G E < - B 0 52A 7 -4,-2.6 -4,-3.1 -36,-0.1 2,-0.3 -0.860 32.3 -24.0 115.3-143.8 18.1 29.3 47.8 57 58 A H E -AB 19 51A 6 -38,-2.7 -38,-2.0 -2,-0.3 2,-0.4 -0.860 36.1-171.5-123.8 141.8 21.0 29.0 45.4 58 59 A L E - B 0 50A 26 -8,-1.7 -8,-1.9 -2,-0.3 2,-0.5 -0.999 23.8-132.4-132.0 128.6 21.6 29.4 41.6 59 60 A L E + B 0 49A 3 -48,-0.5 -10,-0.2 -2,-0.4 3,-0.1 -0.699 31.1 168.7 -80.6 121.5 24.8 28.5 39.7 60 61 A Q E + 0 0 108 -12,-3.4 2,-0.3 -2,-0.5 -11,-0.2 0.802 60.2 2.5-104.3 -36.0 25.7 31.4 37.5 61 62 A Q E - B 0 48A 68 -13,-1.9 -13,-2.7 178,-0.0 -1,-0.3 -0.948 56.6-140.1-163.0 131.6 29.1 30.6 36.4 62 63 A L - 0 0 7 -2,-0.3 178,-0.2 -15,-0.2 -15,-0.1 -0.666 27.6-125.6 -90.6 144.6 31.8 27.9 36.6 63 64 A P - 0 0 17 0, 0.0 2,-2.4 0, 0.0 -1,-0.1 -0.095 42.4 -78.5 -76.7-176.8 35.5 28.7 37.0 64 65 A D S S+ 0 0 51 176,-0.1 2,-0.3 2,-0.1 67,-0.0 -0.292 100.4 98.0 -83.4 63.5 38.4 27.5 34.7 65 66 A I S S- 0 0 53 -2,-2.4 2,-0.4 65,-0.1 23,-0.1 -0.991 74.0-120.2-150.0 139.8 38.4 24.1 36.4 66 67 A W - 0 0 10 -2,-0.3 2,-0.5 21,-0.2 47,-0.1 -0.750 24.2-163.3 -94.1 139.0 36.9 20.9 35.4 67 68 A Y > - 0 0 9 -2,-0.4 4,-2.8 1,-0.1 3,-0.3 -0.976 17.4-150.3-125.4 123.2 34.4 19.2 37.7 68 69 A Q H > S+ 0 0 54 -2,-0.5 4,-3.4 1,-0.2 5,-0.2 0.907 97.3 61.8 -57.3 -43.8 33.4 15.7 37.5 69 70 A G H 4 S+ 0 0 1 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.893 111.8 37.5 -51.4 -44.2 30.0 16.4 38.9 70 71 A I H >> S+ 0 0 0 -3,-0.3 3,-1.8 2,-0.2 4,-1.3 0.894 111.9 56.6 -75.6 -44.2 29.3 18.7 35.9 71 72 A I H >X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.3 3,-0.5 0.931 99.8 62.3 -55.2 -37.3 31.0 16.6 33.4 72 73 A D H 3X S+ 0 0 40 -4,-3.4 4,-1.7 1,-0.3 -1,-0.3 0.746 96.5 58.8 -61.0 -20.5 28.7 13.7 34.4 73 74 A Q H <> S+ 0 0 38 -3,-1.8 4,-1.3 -4,-0.3 -1,-0.3 0.920 104.9 50.4 -72.2 -40.2 25.7 15.8 33.3 74 75 A Y H << S+ 0 0 28 -4,-1.3 4,-0.3 -3,-0.5 -2,-0.2 0.939 111.6 47.6 -62.9 -42.2 27.3 15.9 29.9 75 76 A T H >< S+ 0 0 18 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.849 102.6 60.2 -74.0 -32.6 27.8 12.1 29.8 76 77 A K H 3< S+ 0 0 145 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.917 109.6 43.3 -61.4 -41.2 24.3 11.1 30.9 77 78 A S T 3< S+ 0 0 101 -4,-1.3 -1,-0.3 -3,-0.2 2,-0.2 0.504 92.9 119.5 -79.4 -4.4 22.6 12.8 28.0 78 79 A S < - 0 0 32 -3,-1.2 -3,-0.0 -4,-0.3 -4,-0.0 -0.407 46.9-167.7 -76.0 132.5 25.3 11.5 25.6 79 80 A A S S+ 0 0 94 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.556 93.2 35.4 -85.0 -7.0 24.4 9.2 22.6 80 81 A L S S+ 0 0 24 1,-0.2 2,-0.5 -5,-0.1 27,-0.1 0.786 103.8 66.3-114.5 -48.1 28.1 8.5 22.2 81 82 A F - 0 0 8 1,-0.1 27,-0.2 -6,-0.1 -3,-0.2 -0.711 48.2-164.4 -99.9 122.4 29.9 8.3 25.5 82 83 A D S S- 0 0 101 25,-2.7 2,-0.3 -2,-0.5 26,-0.2 0.777 75.8 -37.6 -60.8 -31.3 29.4 5.7 28.2 83 84 A F E -c 108 0B 66 24,-0.9 26,-0.8 2,-0.0 2,-0.3 -0.941 54.5-130.1-179.9 166.8 31.3 7.9 30.8 84 85 A S E -c 109 0B 9 -2,-0.3 2,-0.4 24,-0.2 26,-0.2 -0.864 8.9-142.1-128.4 168.7 34.1 10.3 31.3 85 86 A E E -c 110 0B 40 24,-1.7 26,-2.3 -2,-0.3 2,-0.5 -0.999 15.2-161.5-131.0 137.8 37.0 10.7 33.7 86 87 A V E +c 111 0B 22 -2,-0.4 2,-0.3 24,-0.2 26,-0.2 -0.957 9.3 179.5-130.8 118.9 38.2 14.1 35.0 87 88 A Y E -c 112 0B 87 24,-2.9 26,-2.1 -2,-0.5 27,-0.2 -0.799 30.4-147.9-113.8 155.1 41.5 15.0 36.6 88 89 A D E S- 0 0 121 1,-0.3 26,-1.1 -2,-0.3 2,-0.3 0.930 92.2 -0.3 -80.0 -46.4 43.1 18.1 38.0 89 90 A S E S+c 114 0B 41 24,-0.2 -1,-0.3 23,-0.1 2,-0.3 -0.995 72.0 155.2-141.7 146.9 46.6 16.9 37.0 90 91 A I E -c 115 0B 29 24,-0.9 26,-2.4 -2,-0.3 27,-0.4 -0.966 51.7-104.9-160.6 166.0 47.8 13.8 35.3 91 92 A D S S- 0 0 55 -2,-0.3 26,-2.8 1,-0.3 2,-0.3 0.984 96.7 -30.8 -65.3 -51.4 50.8 12.6 33.2 92 93 A S > - 0 0 8 24,-0.1 4,-2.4 23,-0.1 -1,-0.3 -0.924 41.8-135.2-165.3 136.7 48.7 12.5 30.0 93 94 A T H > S+ 0 0 3 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.815 110.4 55.2 -60.2 -29.8 45.1 11.9 29.1 94 95 A Q H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.895 108.0 48.4 -68.8 -38.7 46.4 9.7 26.1 95 96 A L H > S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.959 114.5 46.1 -63.4 -47.1 48.3 7.6 28.6 96 97 A A H X S+ 0 0 7 -4,-2.4 4,-3.1 1,-0.2 3,-0.4 0.939 114.4 46.4 -60.4 -49.1 45.3 7.3 30.8 97 98 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.921 107.5 56.4 -63.8 -39.1 42.9 6.5 27.9 98 99 A K H < S+ 0 0 83 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.836 113.5 42.9 -63.0 -27.2 45.2 3.9 26.4 99 100 A K H >< S+ 0 0 135 -4,-1.5 3,-1.0 -3,-0.4 -2,-0.2 0.917 113.0 49.8 -79.9 -48.0 45.0 2.2 29.8 100 101 A S H 3< S+ 0 0 34 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.784 101.9 61.1 -59.8 -32.5 41.3 2.6 30.5 101 102 A L T >< S+ 0 0 2 -4,-2.2 3,-1.5 -5,-0.2 -1,-0.2 0.720 81.0 109.6 -74.6 -19.2 40.2 1.2 27.0 102 103 A V T < S+ 0 0 101 -3,-1.0 3,-0.1 -4,-0.3 -3,-0.0 -0.330 85.1 6.5 -63.4 128.7 41.9 -2.2 27.8 103 104 A G T 3 S+ 0 0 77 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.575 118.2 72.9 82.5 10.4 39.5 -5.0 28.4 104 105 A N < - 0 0 50 -3,-1.5 -1,-0.2 2,-0.1 0, 0.0 -0.921 69.0-135.4-147.1 168.5 36.4 -3.2 27.5 105 106 A Q + 0 0 124 -2,-0.3 -4,-0.1 -3,-0.1 36,-0.1 0.122 56.5 139.1-109.9 19.3 34.3 -1.8 24.7 106 107 A S - 0 0 29 -6,-0.2 2,-0.5 -5,-0.1 -2,-0.1 -0.293 45.0-146.2 -62.6 147.5 33.4 1.5 26.4 107 108 A S + 0 0 17 -27,-0.1 -25,-2.7 34,-0.1 -24,-0.9 -0.973 42.4 137.9-114.5 127.5 33.4 4.9 24.6 108 109 A F E -cD 83 139B 0 31,-1.1 31,-2.6 -2,-0.5 2,-0.3 -0.910 40.2-133.6-157.0 166.6 34.5 7.6 27.0 109 110 A F E -cD 84 138B 2 -26,-0.8 -24,-1.7 -2,-0.3 2,-0.4 -0.946 9.8-145.5-134.4 164.3 36.7 10.7 27.2 110 111 A I E -cD 85 137B 0 27,-2.0 27,-1.9 -2,-0.3 2,-0.3 -0.994 14.7-174.4-129.7 120.4 39.2 11.9 29.7 111 112 A L E +cD 86 136B 0 -26,-2.3 -24,-2.9 -2,-0.4 2,-0.3 -0.886 3.1 179.1-113.7 147.1 39.8 15.5 30.6 112 113 A S E -c 87 0B 0 23,-1.6 23,-0.3 -2,-0.3 -24,-0.2 -0.960 30.3-138.6-149.9 131.6 42.5 17.0 32.9 113 114 A D E S+ 0 0 15 -26,-2.1 18,-0.6 -2,-0.3 19,-0.4 0.786 92.7 12.6 -54.9 -33.8 43.2 20.6 33.8 114 115 A E E -c 89 0B 44 -26,-1.1 -24,-0.9 16,-0.2 2,-0.4 -0.972 63.8-155.0-141.1 152.9 46.9 20.0 33.5 115 116 A Q E -c 90 0B 25 13,-1.0 13,-0.4 -2,-0.3 3,-0.3 -0.983 2.2-164.8-123.1 143.9 49.2 17.3 32.0 116 117 A T S S+ 0 0 95 -26,-2.4 -25,-0.2 -2,-0.4 -24,-0.1 0.595 92.6 31.2-104.8 -14.1 52.7 16.9 33.3 117 118 A K S S+ 0 0 117 -26,-2.8 -1,-0.2 -27,-0.4 2,-0.2 -0.382 80.6 170.6-137.3 52.2 53.9 14.7 30.4 118 119 A G - 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