==== 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 1MD9 . 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) . 22240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 12.3 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 . 4 0.7 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 . 40 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 26.1 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 2 1 1 0 2 3 3 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 0 6 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 0 2 4 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 X 0 0 168 0, 0.0 2,-0.3 0, 0.0 182,-0.1 0.000 360.0 360.0 360.0 120.0 -16.3 43.1 34.4 2 2 A L > - 0 0 14 1,-0.1 3,-2.0 2,-0.0 2,-0.2 -0.593 360.0-103.7 -78.4 136.4 -15.3 40.8 37.3 3 3 A K T 3 S+ 0 0 165 -2,-0.3 391,-0.1 1,-0.3 3,-0.1 -0.464 108.6 20.6 -63.8 125.2 -12.6 42.2 39.6 4 4 A G T 3 S+ 0 0 31 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.268 92.4 127.6 101.4 -9.6 -9.4 40.4 38.8 5 5 A F < - 0 0 31 -3,-2.0 -1,-0.3 388,-0.1 387,-0.1 -0.597 45.4-154.8 -84.2 139.8 -10.4 39.2 35.4 6 6 A T - 0 0 53 385,-0.4 384,-0.6 -2,-0.3 385,-0.1 -0.935 16.0-152.7-118.3 105.7 -8.1 39.9 32.4 7 7 A P - 0 0 58 0, 0.0 3,-0.1 0, 0.0 6,-0.0 -0.126 21.9-100.8 -71.5 167.7 -10.1 40.0 29.0 8 8 A W - 0 0 19 1,-0.2 5,-0.1 2,-0.1 2,-0.1 -0.393 59.2 -72.0 -81.0 167.5 -8.7 39.2 25.6 9 9 A P > - 0 0 56 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.391 43.7-121.5 -63.2 138.8 -7.8 42.1 23.3 10 10 A D H > S+ 0 0 144 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.892 112.7 46.1 -43.8 -53.0 -10.9 44.0 22.0 11 11 A E H > S+ 0 0 167 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.852 115.1 45.6 -63.6 -35.8 -9.9 43.4 18.4 12 12 A L H > S+ 0 0 37 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.749 108.0 59.4 -79.7 -23.9 -9.1 39.7 19.0 13 13 A A H X S+ 0 0 13 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.991 105.8 46.2 -65.2 -59.7 -12.3 39.2 21.0 14 14 A E H X S+ 0 0 104 -4,-2.1 4,-3.6 1,-0.2 5,-0.4 0.885 106.7 61.0 -48.6 -44.7 -14.5 40.3 18.1 15 15 A T H X S+ 0 0 50 -4,-1.4 4,-3.6 1,-0.2 6,-0.3 0.957 107.4 44.1 -46.6 -60.3 -12.4 38.0 15.8 16 16 A Y H <>S+ 0 0 5 -4,-1.8 5,-2.7 2,-0.2 6,-1.0 0.895 115.6 45.8 -52.5 -50.1 -13.4 34.9 17.9 17 17 A R H ><5S+ 0 0 127 -4,-2.0 3,-1.0 4,-0.2 -1,-0.2 0.926 118.3 44.0 -61.8 -44.2 -17.1 35.9 18.2 18 18 A K H 3<5S+ 0 0 148 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.866 108.0 58.5 -67.3 -39.8 -17.2 36.7 14.4 19 19 A N T 3<5S- 0 0 81 -4,-3.6 -1,-0.3 -5,-0.4 -2,-0.2 0.085 117.4-112.8 -78.6 24.2 -15.2 33.5 13.6 20 20 A G T < 5S+ 0 0 49 -3,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.667 88.0 118.6 53.1 18.1 -18.0 31.5 15.2 21 21 A C < + 0 0 7 -5,-2.7 2,-0.7 -6,-0.3 -4,-0.2 0.911 69.5 50.3 -78.8 -42.7 -15.5 30.5 18.0 22 22 A W S S- 0 0 15 -6,-1.0 -1,-0.2 -9,-0.2 -2,-0.2 -0.874 74.3-159.0-100.0 113.0 -17.5 32.1 20.8 23 23 A A - 0 0 64 -2,-0.7 -1,-0.1 182,-0.3 3,-0.1 0.657 27.4-127.4 -66.2 -21.4 -21.2 31.0 20.6 24 24 A G S S+ 0 0 49 1,-0.3 2,-0.3 157,-0.2 157,-0.3 0.676 71.9 115.4 79.9 16.0 -22.7 33.8 22.6 25 25 A E - 0 0 37 156,-0.2 -1,-0.3 155,-0.1 183,-0.2 -0.847 55.2-138.2-119.1 155.7 -24.5 31.3 24.8 26 26 A T > - 0 0 9 -2,-0.3 4,-2.4 -3,-0.1 155,-0.1 -0.404 33.6-103.6-102.1-178.9 -24.2 30.5 28.5 27 27 A F H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.706 126.2 58.9 -75.0 -18.8 -24.1 27.3 30.5 28 28 A G H > S+ 0 0 9 68,-0.2 4,-2.8 2,-0.2 5,-0.2 0.955 108.4 41.4 -71.3 -50.4 -27.7 28.4 31.3 29 29 A D H > S+ 0 0 81 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.890 113.0 57.0 -61.1 -41.2 -28.6 28.4 27.6 30 30 A L H X S+ 0 0 6 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.966 113.6 35.9 -55.4 -59.2 -26.7 25.2 27.1 31 31 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.909 116.0 54.3 -63.2 -45.1 -28.6 23.2 29.7 32 32 A R H X S+ 0 0 101 -4,-2.8 4,-0.5 -5,-0.2 -1,-0.2 0.941 113.8 45.6 -51.5 -50.3 -31.9 25.0 28.9 33 33 A D H >X S+ 0 0 59 -4,-3.0 3,-2.7 -5,-0.2 4,-0.6 0.990 117.0 36.9 -56.1 -78.7 -31.4 24.0 25.3 34 34 A R H >X S+ 0 0 32 -4,-2.1 3,-2.2 1,-0.3 4,-1.6 0.894 110.1 63.0 -44.4 -50.6 -30.3 20.3 25.5 35 35 A A H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 -5,-0.3 19,-0.2 0.729 109.2 44.3 -50.5 -21.1 -32.7 19.6 28.4 36 36 A A H << S+ 0 0 57 -3,-2.7 -1,-0.3 -4,-0.5 -2,-0.2 0.459 105.5 57.2-105.4 -5.1 -35.4 20.5 25.8 37 37 A K H << S+ 0 0 159 -3,-2.2 -2,-0.2 -4,-0.6 -3,-0.1 0.666 128.4 12.2 -96.2 -21.2 -34.3 18.6 22.8 38 38 A Y S >< S- 0 0 38 -4,-1.6 3,-2.3 1,-0.1 15,-0.3 -0.040 78.4-175.3-148.5 41.2 -34.2 15.2 24.5 39 39 A G T 3 S+ 0 0 7 1,-0.3 15,-2.0 14,-0.1 14,-0.8 0.490 77.3 21.1 0.3 -99.1 -36.0 15.5 27.9 40 40 A D T 3 S+ 0 0 138 12,-0.2 2,-1.0 13,-0.2 -1,-0.3 -0.049 83.0 131.1 -83.2 38.3 -35.7 12.2 29.7 41 41 A R S < S- 0 0 100 -3,-2.3 12,-0.8 -2,-0.6 -3,-0.1 -0.809 73.8-105.0 -87.7 105.6 -32.7 11.0 27.8 42 42 A I E +A 52 0A 54 -2,-1.0 10,-0.2 10,-0.2 3,-0.1 -0.010 45.8 173.3 -38.9 122.4 -30.5 10.0 30.8 43 43 A A E + 0 0 0 8,-1.7 210,-2.2 1,-0.3 2,-0.4 0.717 62.8 29.9-103.2 -33.4 -27.7 12.4 31.4 44 44 A I E -Ab 51 253A 0 7,-0.8 7,-1.9 208,-0.2 2,-0.4 -0.997 58.3-168.3-137.2 139.1 -26.1 11.2 34.7 45 45 A T E +Ab 50 254A 0 208,-2.5 210,-2.8 -2,-0.4 2,-0.4 -0.994 10.7 167.9-129.4 130.1 -25.8 7.8 36.3 46 46 A C E > -A 49 0A 32 3,-1.3 3,-1.9 -2,-0.4 2,-0.2 -0.935 68.3 -50.0-141.7 112.5 -24.7 7.0 39.8 47 47 A G T 3 S- 0 0 43 208,-0.5 208,-0.0 -2,-0.4 209,-0.0 -0.419 121.3 -24.3 60.8-122.7 -25.2 3.5 41.2 48 48 A N T 3 S+ 0 0 121 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.0 0.590 117.6 99.9 -95.5 -13.9 -28.8 2.6 40.4 49 49 A T E < -A 46 0A 60 -3,-1.9 -3,-1.3 2,-0.0 2,-0.3 -0.288 52.3-165.8 -72.5 159.3 -30.0 6.2 40.2 50 50 A H E -A 45 0A 84 -5,-0.2 2,-0.4 -7,-0.0 -5,-0.2 -0.993 9.1-157.8-147.6 142.5 -30.5 8.2 36.9 51 51 A W E -A 44 0A 12 -7,-1.9 -8,-1.7 -2,-0.3 -7,-0.8 -0.867 14.9-142.4-128.4 101.6 -31.1 11.9 36.1 52 52 A S E > -A 42 0A 12 -2,-0.4 4,-3.0 -10,-0.2 5,-0.2 -0.098 26.0-116.4 -53.3 155.0 -32.8 13.0 32.9 53 53 A Y H > S+ 0 0 3 -12,-0.8 4,-3.2 -14,-0.8 -18,-0.2 0.977 120.5 50.7 -56.2 -52.7 -31.4 16.1 31.2 54 54 A R H > S+ 0 0 107 -15,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.888 109.7 50.2 -51.0 -45.0 -34.8 17.7 31.8 55 55 A E H > S+ 0 0 78 -16,-0.3 4,-2.1 2,-0.2 5,-0.3 0.960 110.3 48.3 -59.2 -51.6 -34.6 16.7 35.4 56 56 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.944 110.6 54.3 -51.8 -48.9 -31.1 18.1 35.8 57 57 A D H X S+ 0 0 11 -4,-3.2 4,-2.1 -5,-0.2 -2,-0.2 0.936 111.0 44.1 -48.9 -58.4 -32.5 21.2 34.1 58 58 A T H >X S+ 0 0 64 -4,-2.9 4,-2.3 1,-0.2 3,-0.7 0.976 110.7 50.4 -52.0 -71.4 -35.3 21.6 36.6 59 59 A R H 3X S+ 0 0 63 -4,-2.1 4,-3.8 1,-0.3 5,-0.3 0.799 109.2 55.9 -38.7 -38.4 -33.4 20.9 39.8 60 60 A A H 3X S+ 0 0 0 -4,-2.2 4,-3.3 -5,-0.3 -1,-0.3 0.979 108.6 45.6 -60.0 -56.2 -30.9 23.5 38.6 61 61 A D H S+ 0 0 0 -4,-3.8 5,-1.6 1,-0.2 4,-0.7 0.953 111.2 49.2 -62.2 -47.5 -29.3 29.6 46.4 68 68 A Q H ><5S+ 0 0 68 -4,-3.3 3,-0.7 -5,-0.3 -2,-0.2 0.857 109.8 50.7 -61.1 -35.7 -30.6 33.1 45.7 69 69 A K H 3<5S+ 0 0 180 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.784 100.8 64.1 -71.4 -25.8 -32.8 33.1 48.8 70 70 A L H 3<5S- 0 0 43 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.753 125.8-105.2 -67.5 -21.9 -29.8 32.0 50.8 71 71 A G T <<5S+ 0 0 37 -4,-0.7 2,-0.3 -3,-0.7 -3,-0.2 0.343 71.8 145.2 113.0 -2.7 -28.4 35.4 49.7 72 72 A I < - 0 0 1 -5,-1.6 -1,-0.3 4,-0.0 2,-0.3 -0.513 29.1-170.3 -69.6 129.3 -25.9 34.3 47.1 73 73 A Q > - 0 0 131 -2,-0.3 3,-2.5 1,-0.2 51,-0.1 -0.799 32.9 -61.3-121.7 166.6 -25.8 37.0 44.3 74 74 A Q T 3 S+ 0 0 64 -2,-0.3 26,-0.3 1,-0.3 -1,-0.2 0.033 121.4 13.5 -39.2 144.0 -24.3 37.4 40.8 75 75 A K T 3 S+ 0 0 98 24,-2.7 -1,-0.3 1,-0.2 25,-0.2 0.307 89.0 141.0 66.6 -9.5 -20.5 37.1 40.8 76 76 A D < - 0 0 37 -3,-2.5 25,-3.3 1,-0.1 2,-0.4 -0.393 52.6-125.5 -61.5 138.8 -20.3 35.7 44.4 77 77 A R E -ij 101 123B 31 45,-0.5 47,-3.2 44,-0.3 48,-0.9 -0.754 26.2-173.8 -91.3 136.4 -17.7 33.1 44.6 78 78 A V E -ij 102 125B 0 23,-2.5 25,-1.2 -2,-0.4 48,-0.2 -0.844 17.8-143.2-131.1 97.0 -18.7 29.6 45.9 79 79 A V E -ij 103 126B 0 46,-1.0 48,-1.8 -2,-0.4 2,-0.5 -0.353 19.5-161.4 -57.4 133.9 -15.9 27.1 46.5 80 80 A V E +ij 104 127B 1 23,-2.8 25,-1.2 46,-0.2 2,-0.3 -0.978 19.2 170.5-126.0 116.7 -17.3 23.7 45.5 81 81 A Q + 0 0 0 46,-3.0 25,-0.1 -2,-0.5 23,-0.1 -0.631 22.5 144.1-125.8 72.0 -15.6 20.5 46.8 82 82 A L - 0 0 6 -2,-0.3 151,-0.3 23,-0.3 3,-0.1 -0.830 41.7-129.3-111.1 149.5 -17.8 17.6 46.0 83 83 A P - 0 0 3 0, 0.0 2,-1.5 0, 0.0 -1,-0.2 0.249 61.0 -51.7 -73.6-153.1 -16.8 14.0 44.9 84 84 A N S S+ 0 0 13 173,-0.2 2,-0.3 172,-0.2 3,-0.0 -0.671 93.7 125.9 -86.1 86.2 -18.2 12.3 41.9 85 85 A I S S- 0 0 37 -2,-1.5 4,-0.4 1,-0.1 3,-0.4 -0.921 72.0-107.4-140.9 167.7 -21.9 12.7 42.6 86 86 A K S >> S+ 0 0 26 -2,-0.3 3,-1.5 1,-0.2 4,-1.2 0.849 110.2 65.7 -62.3 -38.9 -25.1 14.0 40.9 87 87 A E H 3> S+ 0 0 50 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.885 86.0 70.8 -52.1 -44.6 -25.3 17.1 43.1 88 88 A F H 3> S+ 0 0 1 -3,-0.4 4,-1.9 1,-0.2 -1,-0.3 0.835 103.6 45.7 -40.5 -39.7 -22.1 18.5 41.6 89 89 A F H <> S+ 0 0 0 -3,-1.5 4,-2.4 -4,-0.4 5,-0.4 0.996 113.6 41.7 -71.8 -66.7 -24.1 19.0 38.5 90 90 A E H X S+ 0 0 2 -4,-1.2 4,-2.2 1,-0.2 5,-0.2 0.927 116.6 55.2 -45.9 -49.0 -27.4 20.6 39.8 91 91 A V H X S+ 0 0 0 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.889 111.3 39.5 -52.5 -50.6 -25.1 22.7 42.1 92 92 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.868 116.1 47.8 -75.9 -33.9 -22.9 24.2 39.4 93 93 A F H X S+ 0 0 4 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.834 110.5 55.1 -72.9 -28.5 -25.6 24.8 36.7 94 94 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.4 6,-0.2 0.929 111.0 43.6 -66.8 -44.2 -27.7 26.4 39.4 95 95 A L H X>S+ 0 0 0 -4,-1.7 5,-1.9 1,-0.2 4,-1.7 0.900 110.9 56.4 -66.0 -39.5 -24.8 28.8 40.3 96 96 A F H <5S+ 0 0 2 -4,-2.4 -68,-0.2 1,-0.2 -1,-0.2 0.840 110.2 44.2 -59.3 -36.8 -24.3 29.3 36.5 97 97 A R H <5S+ 0 0 23 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.809 114.0 49.8 -79.0 -28.8 -27.9 30.5 36.2 98 98 A L H <5S- 0 0 2 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.707 113.4-120.8 -78.8 -22.0 -27.6 32.6 39.3 99 99 A G T <5 + 0 0 8 -4,-1.7 -24,-2.7 1,-0.3 -3,-0.2 0.471 66.6 140.2 92.7 3.2 -24.5 34.1 37.9 100 100 A A < - 0 0 1 -5,-1.9 -1,-0.3 -26,-0.3 -23,-0.2 -0.367 51.2-124.8 -74.6 163.0 -22.5 32.9 41.0 101 101 A L E -i 77 0B 8 -25,-3.3 -23,-2.5 -3,-0.1 85,-0.2 -0.906 14.9-147.0-117.9 109.8 -19.0 31.6 40.3 102 102 A P E -i 78 0B 0 0, 0.0 85,-2.2 0, 0.0 2,-0.4 -0.208 6.5-148.5 -62.9 164.7 -18.1 28.1 41.5 103 103 A V E -ik 79 187B 0 -25,-1.2 -23,-2.8 83,-0.2 2,-1.4 -0.931 17.7-134.3-136.7 109.0 -14.4 27.6 42.5 104 104 A F E +i 80 0B 1 83,-1.5 2,-0.2 -2,-0.4 85,-0.2 -0.488 31.8 170.7 -74.8 86.7 -13.3 24.1 41.7 105 105 A A - 0 0 0 -2,-1.4 -23,-0.3 -25,-1.2 128,-0.1 -0.559 30.8-121.1 -88.6 156.4 -11.5 22.6 44.7 106 106 A L > - 0 0 16 -2,-0.2 3,-1.4 -25,-0.1 -1,-0.1 -0.559 18.8-115.6 -95.1 161.0 -10.6 18.9 44.7 107 107 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 0.677 111.4 64.6 -70.6 -12.9 -11.8 16.4 47.3 108 108 A S T 3 S+ 0 0 57 2,-0.0 408,-0.0 408,-0.0 -27,-0.0 0.485 82.2 104.7 -86.9 -2.1 -8.2 15.8 48.4 109 109 A H < - 0 0 22 -3,-1.4 2,-0.2 1,-0.1 -4,-0.0 -0.248 50.9-168.7 -74.5 168.5 -7.9 19.4 49.6 110 110 A R > - 0 0 85 30,-0.0 4,-4.0 33,-0.0 5,-0.3 -0.737 42.5 -64.5-141.9-169.7 -7.9 20.4 53.3 111 111 A S H > S+ 0 0 25 1,-0.2 4,-2.9 2,-0.2 5,-0.5 0.880 124.8 57.4 -50.8 -47.5 -8.1 23.4 55.6 112 112 A S H > S+ 0 0 79 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.941 120.9 29.5 -50.3 -50.1 -4.8 24.9 54.5 113 113 A E H > S+ 0 0 67 -3,-0.3 4,-3.4 2,-0.2 -2,-0.2 0.927 119.6 51.1 -79.7 -47.6 -6.0 25.0 51.0 114 114 A I H X S+ 0 0 0 -4,-4.0 4,-3.2 1,-0.2 5,-0.2 0.882 110.2 51.4 -59.5 -37.8 -9.8 25.4 51.5 115 115 A T H X S+ 0 0 10 -4,-2.9 4,-3.7 -5,-0.3 5,-0.3 0.925 112.9 46.3 -64.3 -41.4 -9.2 28.4 53.8 116 116 A Y H X S+ 0 0 58 -4,-1.1 4,-3.1 -5,-0.5 5,-0.4 0.960 111.9 50.2 -64.6 -47.8 -7.0 29.9 51.2 117 117 A F H X S+ 0 0 3 -4,-3.4 4,-1.5 1,-0.2 6,-0.3 0.932 118.1 40.1 -54.5 -47.4 -9.6 29.2 48.5 118 118 A C H <>S+ 0 0 7 -4,-3.2 5,-1.7 -5,-0.2 4,-0.4 0.910 117.9 45.8 -69.8 -44.0 -12.2 30.8 50.7 119 119 A E H <5S+ 0 0 127 -4,-3.7 3,-0.5 -5,-0.2 -2,-0.2 0.952 118.7 42.0 -63.8 -51.1 -10.2 33.7 51.9 120 120 A F H <5S+ 0 0 40 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.995 117.0 42.5 -58.5 -72.3 -8.7 34.5 48.5 121 121 A A T <5S- 0 0 0 -4,-1.5 -44,-0.3 -5,-0.4 -1,-0.2 0.507 104.1-129.1 -58.5 -0.6 -11.8 34.2 46.3 122 122 A E T 5 - 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