==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 07-AUG-02 1MDB . COMPND 2 MOLECULE: 2,3-DIHYDROXYBENZOATE-AMP LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.J.MAY,N.KESSLER,M.A.MARAHIEL,M.T.STUBBS . 536 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 11.8 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 . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 42 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 2 1 1 2 1 1 2 2 1 3 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 1 5 1 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 . 3 3 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 1 1 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 1 A M 0 0 167 0, 0.0 182,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 131.6 -16.8 42.6 34.8 2 2 A L > - 0 0 15 1,-0.1 3,-1.6 2,-0.1 2,-0.3 -0.352 360.0-109.8 -60.0 134.5 -15.6 40.4 37.7 3 3 A K T 3 S+ 0 0 165 1,-0.2 -1,-0.1 -2,-0.0 3,-0.1 -0.535 104.4 25.7 -69.3 127.6 -12.9 42.2 39.7 4 4 A G T 3 S+ 0 0 29 1,-0.4 390,-1.0 -2,-0.3 2,-0.3 0.328 91.4 125.3 102.5 -6.6 -9.6 40.5 39.1 5 5 A F < - 0 0 30 -3,-1.6 -1,-0.4 388,-0.2 387,-0.1 -0.655 51.4-146.2 -88.8 139.5 -10.5 39.1 35.7 6 6 A T - 0 0 52 385,-0.4 384,-0.6 -2,-0.3 385,-0.2 -0.920 19.8-148.9-108.4 110.1 -8.3 39.8 32.6 7 7 A P - 0 0 55 0, 0.0 3,-0.1 0, 0.0 382,-0.0 -0.262 20.8-102.1 -74.2 162.5 -10.3 40.1 29.4 8 8 A W - 0 0 16 1,-0.1 381,-0.0 2,-0.1 399,-0.0 -0.455 57.3 -79.3 -77.0 155.8 -9.2 39.2 25.9 9 9 A P > - 0 0 53 0, 0.0 4,-3.1 0, 0.0 3,-0.5 -0.332 41.6-119.4 -58.8 139.4 -8.3 42.2 23.8 10 10 A D H > S+ 0 0 144 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.839 112.9 48.8 -47.9 -43.3 -11.3 43.9 22.3 11 11 A E H > S+ 0 0 163 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 114.1 45.7 -68.8 -37.0 -10.3 43.3 18.7 12 12 A L H > S+ 0 0 36 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.914 108.2 56.2 -71.0 -43.7 -9.6 39.6 19.4 13 13 A A H X S+ 0 0 10 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.919 109.7 47.7 -53.8 -44.2 -12.8 39.2 21.3 14 14 A E H X S+ 0 0 107 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.940 108.1 53.5 -62.2 -49.0 -14.7 40.5 18.2 15 15 A T H X S+ 0 0 64 -4,-2.0 4,-2.6 1,-0.2 6,-0.2 0.937 112.4 45.9 -49.9 -50.4 -12.8 38.2 15.9 16 16 A Y H <>S+ 0 0 6 -4,-2.8 6,-1.4 1,-0.2 5,-1.3 0.853 113.6 46.5 -62.6 -40.5 -13.8 35.2 18.1 17 17 A R H <5S+ 0 0 130 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.737 114.7 50.8 -75.1 -22.0 -17.4 36.2 18.4 18 18 A K H <5S+ 0 0 135 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.884 109.0 46.6 -81.9 -43.0 -17.4 36.8 14.6 19 19 A N T <5S- 0 0 54 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.420 117.5-112.8 -80.4 3.6 -16.0 33.5 13.5 20 20 A G T 5S+ 0 0 38 -4,-0.2 -3,-0.2 -5,-0.2 -4,-0.1 0.500 81.5 125.9 81.6 3.9 -18.4 31.8 15.9 21 21 A C S - 0 0 9 -2,-0.3 4,-2.8 153,-0.1 5,-0.1 -0.490 29.6-107.5 -97.5 170.4 -24.4 30.4 28.8 27 27 A F H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.874 123.7 58.2 -63.1 -34.1 -24.3 27.1 30.7 28 28 A G H > S+ 0 0 6 68,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.931 108.6 43.8 -59.1 -46.1 -27.8 28.0 31.8 29 29 A D H > S+ 0 0 80 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.940 109.7 57.4 -62.2 -49.4 -28.9 28.2 28.2 30 30 A L H X S+ 0 0 5 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.911 112.4 39.8 -47.6 -52.5 -26.9 25.0 27.3 31 31 A L H X S+ 0 0 5 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.925 113.8 53.7 -66.5 -44.8 -28.8 23.0 29.9 32 32 A R H X S+ 0 0 100 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.921 112.8 45.2 -54.5 -47.0 -32.2 24.6 29.2 33 33 A D H >X S+ 0 0 67 -4,-3.3 4,-2.0 2,-0.2 3,-0.7 0.967 114.0 45.4 -62.1 -58.1 -31.8 23.8 25.5 34 34 A R H 3X S+ 0 0 25 -4,-2.3 4,-2.0 1,-0.3 -1,-0.2 0.854 111.8 54.9 -56.4 -36.0 -30.7 20.1 25.9 35 35 A A H 3X S+ 0 0 0 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.3 0.833 108.1 48.7 -67.7 -32.1 -33.4 19.6 28.5 36 36 A A H << S+ 0 0 64 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.2 0.846 112.8 47.2 -75.9 -36.2 -36.0 20.8 26.0 37 37 A K H < S+ 0 0 151 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.949 135.1 2.0 -72.2 -52.5 -34.8 18.6 23.2 38 38 A Y H >< S+ 0 0 38 -4,-2.0 3,-2.1 -5,-0.2 15,-0.5 -0.307 70.1 160.2-136.6 55.2 -34.4 15.2 24.9 39 39 A G T 3< S+ 0 0 1 -4,-0.6 15,-2.1 1,-0.3 16,-0.5 0.757 73.8 56.0 -46.7 -35.8 -35.5 15.6 28.5 40 40 A D T 3 S+ 0 0 149 12,-0.2 -1,-0.3 13,-0.2 -5,-0.1 0.685 80.2 107.8 -76.4 -18.2 -36.1 11.9 29.1 41 41 A R S < S- 0 0 96 -3,-2.1 12,-1.7 1,-0.1 2,-0.5 -0.322 80.7-111.7 -59.1 143.6 -32.6 10.9 28.1 42 42 A I E +A 52 0A 65 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.667 38.6 174.9 -78.6 123.6 -30.5 9.8 31.1 43 43 A A E + 0 0 0 8,-3.3 210,-2.8 -2,-0.5 2,-0.4 0.781 65.2 28.7 -97.9 -36.2 -27.7 12.4 31.6 44 44 A I E -Ab 51 253A 0 7,-1.7 7,-2.0 208,-0.2 2,-0.4 -0.991 59.3-170.7-134.5 136.1 -26.2 11.1 34.8 45 45 A T E +Ab 50 254A 1 208,-2.9 210,-3.0 -2,-0.4 2,-0.3 -0.984 9.8 168.8-125.2 133.9 -25.9 7.6 36.3 46 46 A C E > -A 49 0A 30 3,-2.3 3,-2.2 -2,-0.4 2,-0.3 -0.858 65.2 -51.1-147.6 106.4 -24.6 6.9 39.8 47 47 A G T 3 S- 0 0 46 208,-0.5 -1,-0.1 -2,-0.3 208,-0.0 -0.504 122.7 -21.9 64.6-126.7 -25.0 3.4 41.3 48 48 A N T 3 S+ 0 0 121 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.463 121.0 94.7 -93.8 -2.1 -28.7 2.6 40.8 49 49 A T E < -A 46 0A 60 -3,-2.2 -3,-2.3 2,-0.0 2,-0.3 -0.573 51.0-173.3 -91.9 155.2 -29.8 6.2 40.4 50 50 A H E -A 45 0A 84 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.975 10.9-155.7-143.9 152.6 -30.3 8.1 37.2 51 51 A W E -A 44 0A 11 -7,-2.0 -8,-3.3 -2,-0.3 -7,-1.7 -0.985 12.7-144.6-135.5 123.0 -31.1 11.7 36.2 52 52 A S E > -A 42 0A 20 -2,-0.4 4,-2.3 -10,-0.3 -10,-0.2 -0.365 30.4-108.8 -78.3 165.3 -32.7 12.8 33.0 53 53 A Y H > S+ 0 0 3 -12,-1.7 4,-2.2 -15,-0.5 -18,-0.2 0.876 122.8 49.9 -62.2 -38.4 -31.7 16.0 31.3 54 54 A R H > S+ 0 0 114 -15,-2.1 4,-3.0 -13,-0.2 -1,-0.2 0.916 108.6 54.5 -65.4 -42.6 -35.1 17.5 32.2 55 55 A E H > S+ 0 0 71 -16,-0.5 4,-2.8 2,-0.2 5,-0.3 0.945 109.8 44.3 -54.2 -55.3 -34.6 16.4 35.8 56 56 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.904 112.7 54.3 -57.9 -42.5 -31.2 18.1 36.1 57 57 A D H X S+ 0 0 14 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.943 111.8 43.7 -56.4 -51.1 -32.7 21.2 34.4 58 58 A T H X S+ 0 0 66 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.926 113.1 49.2 -63.1 -48.6 -35.6 21.3 37.0 59 59 A R H X S+ 0 0 64 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.874 109.5 54.5 -60.3 -36.3 -33.4 20.7 40.1 60 60 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.883 110.6 44.8 -64.5 -41.2 -31.0 23.4 38.9 61 61 A D H X S+ 0 0 24 -4,-1.7 4,-1.9 2,-0.2 113,-0.3 0.963 116.3 45.8 -66.2 -52.7 -33.8 26.0 38.6 62 62 A R H X S+ 0 0 83 -4,-2.7 109,-2.0 1,-0.2 4,-1.2 0.801 115.4 47.4 -61.4 -30.8 -35.3 25.0 42.0 63 63 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.893 105.4 57.5 -79.1 -39.9 -31.8 25.0 43.6 64 64 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.911 106.7 51.1 -55.1 -41.2 -30.8 28.3 42.1 65 65 A A H X S+ 0 0 3 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.902 110.3 48.8 -63.8 -40.2 -33.9 29.8 43.9 66 66 A G H X S+ 0 0 4 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.916 111.4 48.9 -65.0 -43.4 -32.8 28.2 47.1 67 67 A F H X>S+ 0 0 0 -4,-3.0 5,-2.1 2,-0.2 4,-0.9 0.931 113.8 47.0 -59.9 -47.7 -29.3 29.5 46.8 68 68 A Q H ><5S+ 0 0 71 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.931 110.8 50.7 -60.7 -47.4 -30.7 33.0 46.0 69 69 A K H 3<5S+ 0 0 170 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.860 104.4 59.9 -59.0 -34.3 -33.1 32.8 48.9 70 70 A L H 3<5S- 0 0 48 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.786 126.5-104.2 -64.7 -26.0 -30.1 31.8 51.0 71 71 A G T <<5S+ 0 0 41 -3,-1.2 2,-0.4 -4,-0.9 -3,-0.2 0.495 71.2 145.2 114.5 6.4 -28.6 35.2 50.1 72 72 A I < - 0 0 2 -5,-2.1 -1,-0.3 4,-0.0 2,-0.2 -0.654 32.1-162.7 -78.0 129.7 -26.0 34.1 47.5 73 73 A Q > - 0 0 136 -2,-0.4 3,-2.1 1,-0.1 51,-0.1 -0.663 27.4 -73.4-114.8 169.6 -25.8 36.7 44.8 74 74 A Q T 3 S+ 0 0 68 1,-0.3 26,-0.3 -2,-0.2 25,-0.2 -0.299 119.3 20.4 -58.1 138.1 -24.5 37.2 41.2 75 75 A K T 3 S+ 0 0 117 24,-2.9 -1,-0.3 1,-0.3 25,-0.2 0.228 91.5 137.0 82.8 -11.8 -20.7 37.3 41.1 76 76 A D < - 0 0 39 -3,-2.1 25,-3.6 1,-0.1 2,-0.4 -0.397 52.9-128.7 -64.9 142.0 -20.4 35.6 44.5 77 77 A R E -i 101 0B 30 45,-0.4 47,-2.8 44,-0.3 48,-0.8 -0.739 22.0-168.9 -93.9 141.3 -17.8 32.9 44.7 78 78 A V E -ij 102 125B 0 23,-3.5 25,-2.1 -2,-0.4 2,-0.5 -0.936 16.9-140.1-134.9 111.6 -18.7 29.5 46.0 79 79 A V E -ij 103 126B 0 46,-1.8 48,-2.9 -2,-0.4 2,-0.5 -0.587 21.2-166.0 -72.0 117.1 -16.1 26.9 46.8 80 80 A V E +ij 104 127B 2 23,-2.9 25,-1.8 -2,-0.5 2,-0.2 -0.934 16.6 169.6-108.6 121.4 -17.5 23.5 45.6 81 81 A Q + 0 0 0 46,-2.8 25,-0.1 -2,-0.5 23,-0.1 -0.592 22.5 146.1-131.9 73.2 -15.6 20.4 46.9 82 82 A L - 0 0 6 23,-0.3 151,-0.2 -2,-0.2 46,-0.1 -0.791 41.3-128.6-111.7 152.6 -17.8 17.4 45.9 83 83 A P - 0 0 5 0, 0.0 2,-1.9 0, 0.0 5,-0.2 0.042 59.7 -60.4 -79.0-162.7 -16.8 13.9 44.9 84 84 A N S S+ 0 0 14 172,-0.2 2,-0.3 173,-0.2 144,-0.0 -0.566 92.4 128.6 -84.5 79.0 -18.2 12.2 41.8 85 85 A I S >> S- 0 0 39 -2,-1.9 3,-0.9 1,-0.1 4,-0.5 -0.875 72.2-107.6-130.1 163.3 -21.9 12.4 42.8 86 86 A K H >> S+ 0 0 26 -2,-0.3 3,-1.1 1,-0.2 4,-1.0 0.846 110.5 69.5 -57.7 -39.1 -25.0 13.7 41.1 87 87 A E H 3> S+ 0 0 42 1,-0.3 4,-3.0 2,-0.2 3,-0.3 0.858 84.8 70.0 -49.7 -41.0 -25.3 16.7 43.3 88 88 A F H <> S+ 0 0 2 -3,-0.9 4,-2.5 1,-0.2 -1,-0.3 0.903 100.5 48.1 -43.1 -49.7 -22.2 18.2 41.7 89 89 A F H S+ 0 0 0 -4,-1.8 5,-2.3 1,-0.2 4,-0.8 0.915 111.1 55.6 -64.3 -41.2 -24.8 28.5 40.5 96 96 A F H <5S+ 0 0 2 -4,-3.1 3,-0.4 1,-0.2 -68,-0.2 0.877 108.4 47.1 -58.3 -39.6 -24.4 29.1 36.7 97 97 A R H <5S+ 0 0 20 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.707 111.8 49.9 -77.2 -19.9 -28.0 30.3 36.5 98 98 A L H <5S- 0 0 2 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.492 113.5-118.1 -92.6 -6.6 -27.7 32.6 39.5 99 99 A G T <5 + 0 0 9 -4,-0.8 -24,-2.9 -3,-0.4 2,-0.2 0.673 67.7 143.5 76.8 14.8 -24.5 34.0 38.0 100 100 A A < - 0 0 1 -5,-2.3 -1,-0.3 -26,-0.3 -23,-0.2 -0.622 49.4-122.4 -87.7 150.4 -22.6 32.8 41.0 101 101 A L E -i 77 0B 3 -25,-3.6 -23,-3.5 -2,-0.2 85,-0.2 -0.810 13.9-149.7-103.0 111.8 -19.1 31.4 40.6 102 102 A P E -i 78 0B 0 0, 0.0 85,-2.8 0, 0.0 2,-0.5 -0.455 7.3-151.7 -70.7 149.2 -18.1 27.9 41.6 103 103 A V E -ik 79 187B 0 -25,-2.1 -23,-2.9 83,-0.2 2,-1.3 -0.999 21.0-131.4-121.4 118.7 -14.5 27.6 42.7 104 104 A F E +i 80 0B 0 83,-1.8 85,-0.2 -2,-0.5 -23,-0.1 -0.579 32.1 174.5 -83.4 86.5 -13.4 24.0 41.9 105 105 A A - 0 0 0 -25,-1.8 -23,-0.3 -2,-1.3 128,-0.1 -0.346 26.5-122.5 -80.3 165.5 -11.7 22.3 44.9 106 106 A L > - 0 0 14 -25,-0.1 3,-2.2 -2,-0.1 411,-0.1 -0.809 20.6-111.5-111.6 153.7 -10.8 18.7 44.8 107 107 A P T 3 S+ 0 0 15 0, 0.0 25,-0.1 0, 0.0 -1,-0.1 0.741 115.9 57.6 -52.3 -26.3 -11.8 15.9 47.2 108 108 A S T 3 S+ 0 0 55 408,-0.1 409,-0.0 2,-0.0 2,-0.0 0.554 80.6 110.2 -85.2 -10.2 -8.2 15.7 48.5 109 109 A H < - 0 0 20 -3,-2.2 2,-0.2 4,-0.1 -4,-0.0 -0.351 49.3-166.8 -68.1 148.2 -8.0 19.3 49.6 110 110 A R > - 0 0 86 -2,-0.0 4,-3.2 30,-0.0 3,-0.3 -0.588 41.4 -68.0-124.4-173.0 -7.8 20.0 53.3 111 111 A S H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.813 125.6 55.2 -49.0 -40.8 -8.2 23.0 55.6 112 112 A S H > S+ 0 0 85 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.959 117.6 33.7 -61.4 -50.7 -5.0 24.7 54.5 113 113 A E H > S+ 0 0 70 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.928 121.3 48.7 -71.3 -43.8 -6.0 24.8 50.8 114 114 A I H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.939 109.5 51.5 -62.0 -47.1 -9.7 25.2 51.5 115 115 A T H X S+ 0 0 11 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.902 111.8 49.6 -55.5 -40.0 -9.2 28.1 53.9 116 116 A Y H X S+ 0 0 58 -4,-1.4 4,-2.6 -5,-0.3 5,-0.4 0.962 110.3 48.2 -63.4 -52.5 -7.0 29.7 51.3 117 117 A F H X S+ 0 0 3 -4,-2.7 4,-1.8 1,-0.2 6,-0.2 0.881 114.2 47.6 -55.5 -41.1 -9.6 29.3 48.5 118 118 A C H <>S+ 0 0 5 -4,-2.8 5,-2.1 -5,-0.2 4,-0.2 0.880 117.0 41.6 -70.4 -39.1 -12.4 30.7 50.8 119 119 A E H ><5S+ 0 0 120 -4,-2.3 3,-1.2 -5,-0.2 -2,-0.2 0.987 118.0 43.7 -69.3 -63.6 -10.3 33.7 51.9 120 120 A F H 3<5S+ 0 0 51 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.930 121.7 39.1 -46.8 -57.6 -8.8 34.6 48.5 121 121 A A T 3<5S- 0 0 0 -4,-1.8 -44,-0.3 -5,-0.4 -1,-0.3 0.537 103.8-132.1 -74.4 -5.1 -12.0 34.2 46.6 122 122 A E T < 5 - 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