==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 06-JUL-13 4LK5 . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM AVIUM SUBSP. PARATUBERCU . AUTHOR D.KUMARAN,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR . 728 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26877.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 4.4 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 . 5 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 . 31 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 0 3 4 6 0 2 0 2 2 4 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 6 4 0 3 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 . 2 3 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 3 0 1 2 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 9 A L 0 0 120 0, 0.0 39,-0.0 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 132.0 -10.5 58.0 9.7 2 10 A A - 0 0 77 1,-0.1 2,-0.2 34,-0.0 38,-0.0 -0.452 360.0-123.4 -75.0 137.1 -13.3 55.3 9.6 3 11 A P - 0 0 129 0, 0.0 2,-0.4 0, 0.0 5,-0.1 -0.537 24.1-158.6 -85.3 148.6 -14.5 53.9 13.0 4 12 A V B > -A 7 0A 42 3,-0.6 3,-1.5 -2,-0.2 2,-0.2 -0.984 19.7-115.5-136.7 128.7 -14.4 50.1 13.7 5 13 A A T 3 S+ 0 0 93 -2,-0.4 3,-0.1 1,-0.3 17,-0.0 -0.369 102.1 23.0 -70.5 129.4 -16.3 48.0 16.1 6 14 A G T 3 S+ 0 0 20 -2,-0.2 15,-2.5 1,-0.1 2,-0.3 0.555 110.7 89.2 90.1 14.4 -14.1 46.4 18.8 7 15 A L E < -AB 4 20A 12 -3,-1.5 -3,-0.6 13,-0.2 2,-0.5 -0.908 56.2-162.3-150.8 117.9 -11.4 49.1 18.4 8 16 A D E - B 0 19A 87 11,-2.6 11,-3.1 -2,-0.3 2,-0.5 -0.886 10.4-177.3-104.9 124.3 -11.0 52.5 20.1 9 17 A V E + B 0 18A 52 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.979 11.1 166.1-122.2 113.9 -8.7 55.0 18.3 10 18 A T E - B 0 17A 81 7,-2.0 7,-3.2 -2,-0.5 2,-0.5 -0.973 26.1-154.1-132.0 146.4 -8.1 58.4 20.0 11 19 A L E + B 0 16A 71 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.976 26.1 161.7-117.6 115.4 -5.6 61.2 19.6 12 20 A S E > - B 0 15A 80 3,-1.7 3,-1.6 -2,-0.5 -2,-0.1 -0.979 67.4 -18.8-137.7 124.3 -5.0 63.3 22.8 13 21 A D T 3 S- 0 0 148 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.837 127.9 -48.8 50.3 44.5 -2.1 65.7 23.5 14 22 A G T 3 S+ 0 0 14 1,-0.2 37,-2.1 37,-0.1 38,-2.0 0.528 110.7 122.0 78.2 10.3 0.1 64.0 20.8 15 23 A V E < -Bc 12 52A 26 -3,-1.6 -3,-1.7 36,-0.2 2,-0.6 -0.917 48.6-158.4-111.2 107.0 -0.6 60.5 22.0 16 24 A F E -Bc 11 53A 4 36,-2.9 38,-2.4 -2,-0.7 2,-0.4 -0.773 18.5-167.5 -89.5 119.2 -2.1 58.4 19.2 17 25 A S E -Bc 10 54A 16 -7,-3.2 -7,-2.0 -2,-0.6 2,-0.5 -0.907 17.7-177.8-125.5 134.4 -3.8 55.6 21.0 18 26 A V E -Bc 9 55A 0 36,-2.5 38,-1.7 -2,-0.4 2,-0.4 -0.990 9.0-179.4-138.0 116.4 -5.2 52.4 19.6 19 27 A T E -Bc 8 56A 33 -11,-3.1 -11,-2.6 -2,-0.5 2,-0.5 -0.984 22.3-141.5-128.9 130.8 -6.9 50.0 21.9 20 28 A I E -Bc 7 57A 4 36,-2.7 38,-2.2 -2,-0.4 2,-0.3 -0.781 20.7-171.7 -94.8 131.4 -8.4 46.7 21.0 21 29 A N + 0 0 57 -15,-2.5 -14,-0.1 -2,-0.5 3,-0.1 -0.569 43.5 115.7-132.1 67.6 -11.6 46.3 23.0 22 30 A R > > + 0 0 62 -2,-0.3 5,-2.7 36,-0.2 3,-1.6 -0.549 30.5 164.0-127.9 63.9 -13.1 42.9 22.7 23 31 A P T 3 5S+ 0 0 69 0, 0.0 3,-0.4 0, 0.0 37,-0.3 0.634 70.4 58.8 -67.2 -14.6 -12.7 42.0 26.3 24 32 A D T 3 5S+ 0 0 167 1,-0.2 -2,-0.0 -3,-0.1 35,-0.0 0.737 109.2 43.0 -80.9 -26.0 -15.1 39.1 26.0 25 33 A S T < 5S- 0 0 53 -3,-1.6 3,-0.4 3,-0.1 39,-0.2 0.181 120.1-109.8 -98.1 12.5 -13.0 37.4 23.3 26 34 A L T 5S- 0 0 62 -3,-0.4 38,-0.7 1,-0.2 39,-0.1 0.743 73.0 -61.0 54.4 30.8 -9.9 38.2 25.3 27 35 A N S > - 0 0 47 -2,-0.4 4,-3.0 36,-0.2 3,-0.9 -0.809 40.7-100.2-116.3 158.9 -10.7 39.6 13.3 31 39 A V H 3> S+ 0 0 48 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.854 122.2 49.3 -45.4 -47.7 -10.0 40.7 9.8 32 40 A P H 3> S+ 0 0 77 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.839 114.1 46.3 -70.9 -27.1 -11.9 44.0 10.1 33 41 A V H <> S+ 0 0 1 -3,-0.9 4,-2.6 2,-0.2 3,-0.3 0.949 111.0 50.3 -70.0 -50.1 -10.1 44.7 13.4 34 42 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -3,-0.2 0.901 112.2 52.1 -52.9 -38.3 -6.7 43.8 12.0 35 43 A T H X S+ 0 0 34 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.834 107.5 48.3 -68.2 -39.9 -7.7 46.1 9.1 36 44 A G H X S+ 0 0 6 -4,-1.5 4,-2.3 -3,-0.3 -1,-0.2 0.852 111.2 51.4 -71.0 -35.5 -8.6 49.1 11.3 37 45 A I H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.976 111.4 47.3 -63.3 -52.2 -5.3 48.8 13.2 38 46 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.929 113.3 49.1 -52.0 -49.6 -3.4 48.7 10.0 39 47 A D H X S+ 0 0 64 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.877 111.6 48.8 -58.1 -39.9 -5.4 51.8 8.8 40 48 A A H X S+ 0 0 1 -4,-2.3 4,-3.3 2,-0.2 -1,-0.2 0.878 110.6 48.7 -71.7 -40.0 -4.8 53.7 12.0 41 49 A X H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.907 113.1 48.4 -64.9 -43.3 -1.1 53.0 12.0 42 50 A E H < S+ 0 0 87 -4,-2.3 4,-0.4 -5,-0.3 -2,-0.2 0.881 113.6 48.3 -64.7 -40.5 -0.8 54.1 8.4 43 51 A Y H >X S+ 0 0 90 -4,-2.4 3,-2.2 -5,-0.2 4,-0.5 0.937 104.7 58.6 -60.5 -51.6 -2.8 57.2 9.3 44 52 A A H >< S+ 0 0 0 -4,-3.3 3,-0.8 1,-0.3 6,-0.2 0.811 97.7 60.8 -52.5 -32.0 -0.7 58.0 12.3 45 53 A A T 3< S+ 0 0 43 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.754 107.2 46.4 -66.3 -22.0 2.4 58.2 10.1 46 54 A T T <4 S+ 0 0 104 -3,-2.2 -1,-0.2 -4,-0.4 -2,-0.2 0.425 89.9 90.4 -97.9 -6.7 0.7 61.2 8.1 47 55 A D X< - 0 0 18 -3,-0.8 3,-3.0 -4,-0.5 -1,-0.1 -0.830 58.3-158.1-107.5 108.2 -0.6 63.3 10.9 48 56 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.624 90.4 71.3 -63.0 -9.9 1.8 66.0 12.2 49 57 A E T 3 S+ 0 0 134 2,-0.0 2,-0.3 -3,-0.0 -5,-0.0 0.645 80.7 96.0 -73.3 -15.5 -0.2 66.1 15.4 50 58 A V < + 0 0 1 -3,-3.0 -35,-0.2 -6,-0.2 3,-0.1 -0.606 32.2 151.8 -84.2 135.6 1.2 62.6 16.3 51 59 A K + 0 0 68 -37,-2.1 2,-0.3 1,-0.4 -36,-0.2 0.565 69.3 17.1-124.8 -34.1 4.3 62.4 18.6 52 60 A V E -c 15 0A 0 -38,-2.0 -36,-2.9 39,-0.1 -1,-0.4 -0.995 64.5-149.8-144.8 141.4 3.9 59.0 20.3 53 61 A V E -cd 16 93A 0 39,-3.0 41,-2.2 -2,-0.3 2,-0.4 -0.848 9.7-172.0-114.4 150.8 1.8 55.9 19.6 54 62 A R E -cd 17 94A 60 -38,-2.4 -36,-2.5 -2,-0.3 2,-0.4 -0.997 4.0-172.5-141.8 134.0 0.4 53.4 22.0 55 63 A I E +cd 18 95A 2 39,-2.8 41,-2.7 -2,-0.4 2,-0.3 -0.984 24.8 137.8-125.5 137.6 -1.3 50.1 21.3 56 64 A G E -cd 19 96A 2 -38,-1.7 -36,-2.7 -2,-0.4 2,-0.4 -0.923 40.6-108.0-161.7-175.8 -3.0 48.1 24.0 57 65 A G E -c 20 0A 11 39,-0.5 2,-0.2 -2,-0.3 -36,-0.2 -0.982 20.7-129.5-134.2 142.5 -5.9 46.0 25.1 58 66 A A S S+ 0 0 31 -38,-2.2 3,-0.5 -2,-0.4 -36,-0.2 -0.554 72.6 17.4 -85.9 152.6 -8.8 46.5 27.4 59 67 A G S S- 0 0 54 -2,-0.2 -2,-0.1 1,-0.2 -35,-0.1 -0.601 117.9 -29.1 92.4-149.2 -9.7 44.0 30.1 60 68 A R S S+ 0 0 211 -37,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.606 119.2 40.3 -83.2 -20.3 -7.5 41.2 31.4 61 69 A G - 0 0 1 -3,-0.5 3,-0.1 38,-0.3 40,-0.1 -0.969 63.5-136.2-142.2 148.0 -5.4 40.5 28.3 62 70 A F S S- 0 0 4 38,-1.0 2,-0.3 -2,-0.3 39,-0.2 0.966 84.6 -37.3 -68.8 -56.7 -3.5 42.3 25.5 63 71 A S B -h 101 0C 3 37,-1.6 39,-2.2 -6,-0.1 -1,-0.2 -0.819 34.4-148.3-170.7 137.0 -4.7 39.9 22.7 64 72 A S - 0 0 46 -38,-0.7 -36,-0.2 1,-0.3 2,-0.2 0.480 60.0-112.9 -81.0 -5.2 -5.3 36.2 22.3 65 73 A G E -g 28 0B 2 -38,-0.6 -36,-2.6 38,-0.2 -1,-0.3 -0.576 65.9 -6.3 104.8-168.6 -4.2 36.5 18.7 66 74 A A E S-g 29 0B 41 -38,-0.2 2,-0.6 -2,-0.2 -36,-0.2 -0.397 90.7 -87.4 -64.4 141.3 -6.2 36.0 15.4 67 75 A G - 0 0 34 -38,-4.0 -1,-0.2 1,-0.2 -36,-0.1 -0.367 37.5-166.2 -56.2 100.3 -9.8 34.9 16.0 68 76 A I 0 0 95 -2,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.566 360.0 360.0 -61.7 -18.7 -9.5 31.1 16.1 69 77 A S 0 0 164 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.750 360.0 360.0 -87.3 360.0 -13.4 30.9 15.7 70 ! 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 71 88 A P > 0 0 121 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 142.9 -11.1 34.4 1.9 72 89 A P T >> + 0 0 69 0, 0.0 4,-0.8 0, 0.0 3,-0.8 0.844 360.0 57.6 -72.2 -41.3 -8.0 32.9 3.8 73 90 A D H 3> S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.803 93.3 74.3 -54.0 -29.6 -5.0 34.8 2.4 74 91 A E H <> S+ 0 0 102 -3,-0.7 4,-2.2 1,-0.2 5,-0.2 0.885 89.8 53.3 -60.4 -40.5 -6.6 38.1 3.4 75 92 A I H <> S+ 0 0 47 -3,-0.8 4,-2.4 -4,-0.5 -1,-0.2 0.944 110.9 47.8 -60.8 -45.7 -6.0 37.8 7.1 76 93 A I H X S+ 0 0 2 -4,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.928 110.5 51.7 -61.4 -43.3 -2.3 37.2 6.5 77 94 A L H X S+ 0 0 79 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.883 111.8 46.0 -62.8 -35.1 -2.1 40.1 4.1 78 95 A E H X S+ 0 0 34 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.878 110.8 52.0 -75.4 -38.6 -3.7 42.5 6.6 79 96 A I H X S+ 0 0 1 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.935 113.1 46.3 -58.4 -48.1 -1.5 41.3 9.5 80 97 A N H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.914 111.8 49.7 -59.2 -44.2 1.6 41.9 7.2 81 98 A R H X S+ 0 0 57 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.889 111.4 52.1 -64.3 -33.5 0.3 45.3 6.2 82 99 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.930 110.6 44.7 -69.2 -46.7 -0.2 46.0 9.9 83 100 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.947 110.8 53.6 -62.1 -47.1 3.3 45.1 10.9 84 101 A R H X S+ 0 0 102 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.935 108.6 52.4 -51.8 -42.6 4.9 46.9 8.1 85 102 A A H X S+ 0 0 12 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.866 108.8 47.6 -67.5 -37.5 3.0 50.0 9.2 86 103 A I H < S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.940 114.1 47.9 -63.3 -48.1 4.2 49.8 12.8 87 104 A A H < S+ 0 0 14 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.791 115.7 44.0 -66.6 -29.3 7.8 49.3 11.6 88 105 A A H < S+ 0 0 66 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.661 82.6 118.0 -80.3 -24.1 7.6 52.2 9.2 89 106 A L < - 0 0 0 -4,-1.3 2,-1.1 -3,-0.4 4,-0.1 -0.247 64.5-138.4 -58.1 122.5 5.8 54.6 11.5 90 107 A P S S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 111,-0.1 -0.018 77.0 64.9 -82.1 40.4 8.1 57.7 12.1 91 108 A H S S- 0 0 27 -2,-1.1 2,-0.3 110,-0.1 -39,-0.1 -0.947 97.6 -77.3-146.3 161.3 7.4 57.9 15.8 92 109 A P - 0 0 1 0, 0.0 -39,-3.0 0, 0.0 2,-0.5 -0.483 44.0-155.8 -56.2 119.5 7.9 55.8 19.0 93 110 A V E -d 53 0A 0 -2,-0.3 21,-2.2 -41,-0.2 20,-1.4 -0.922 6.3-162.3-108.6 124.5 5.4 53.0 19.2 94 111 A V E -de 54 114A 0 -41,-2.2 -39,-2.8 -2,-0.5 2,-0.5 -0.922 7.8-154.9-114.6 124.2 4.6 51.6 22.6 95 112 A A E -de 55 115A 0 19,-2.7 21,-2.5 -2,-0.5 2,-0.8 -0.869 10.2-153.8 -94.2 127.2 3.0 48.2 23.2 96 113 A V E -de 56 116A 4 -41,-2.7 2,-0.9 -2,-0.5 -39,-0.5 -0.883 11.8-171.7-108.2 100.2 1.2 48.2 26.5 97 114 A V E + e 0 117A 0 19,-3.1 21,-2.1 -2,-0.8 24,-0.3 -0.728 20.4 155.5-105.2 93.3 1.1 44.6 27.6 98 115 A Q + 0 0 27 -2,-0.9 22,-0.2 19,-0.2 -1,-0.2 0.830 67.8 3.4 -93.4 -29.3 -1.1 44.2 30.7 99 116 A G S S- 0 0 1 1,-0.2 23,-0.4 21,-0.1 -38,-0.3 -0.211 109.0 -26.1-125.6-144.9 -2.2 40.6 30.5 100 117 A P - 0 0 29 0, 0.0 -37,-1.6 0, 0.0 -38,-1.0 -0.511 47.9-165.0 -70.0 141.3 -1.4 37.6 28.2 101 118 A A E +hi 63 123C 0 21,-2.5 23,-1.8 -39,-0.2 2,-0.3 -0.994 15.8 175.3-122.9 133.8 -0.3 38.1 24.6 102 119 A A E > - i 0 124C 15 -39,-2.2 3,-2.2 -2,-0.4 23,-0.2 -0.967 45.0 -19.5-142.8 159.3 -0.5 35.1 22.3 103 120 A G T >> S+ 0 0 6 21,-2.1 3,-1.2 -2,-0.3 4,-1.2 -0.235 133.8 3.7 44.6-121.3 0.1 34.3 18.6 104 121 A V H 3> S+ 0 0 3 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.699 123.5 71.0 -63.6 -28.6 -0.1 37.5 16.6 105 122 A G H <> S+ 0 0 0 -3,-2.2 4,-2.2 2,-0.2 -1,-0.3 0.912 100.0 48.7 -52.9 -42.8 -0.6 39.6 19.7 106 123 A V H <> S+ 0 0 0 -3,-1.2 4,-2.8 18,-0.3 5,-0.2 0.955 110.7 49.8 -64.0 -51.5 3.1 38.8 20.4 107 124 A S H X S+ 0 0 0 -4,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.888 109.6 50.5 -53.3 -46.0 4.2 39.7 16.9 108 125 A I H >X S+ 0 0 5 -4,-2.7 4,-0.8 1,-0.2 3,-0.7 0.961 112.6 47.7 -57.2 -50.8 2.3 43.0 17.0 109 126 A A H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.884 111.6 49.2 -59.0 -42.9 4.0 43.9 20.3 110 127 A L H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.616 101.4 62.9 -78.2 -12.7 7.4 42.9 19.0 111 128 A A H << S+ 0 0 1 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.702 93.4 90.2 -71.8 -21.8 7.0 45.0 15.9 112 129 A C S << S- 0 0 0 -3,-0.9 -18,-0.1 -4,-0.8 3,-0.1 -0.160 80.3-131.2 -73.8 170.9 6.8 47.9 18.4 113 130 A D S S+ 0 0 0 -20,-1.4 2,-0.4 1,-0.2 -19,-0.2 0.822 91.1 29.8 -89.4 -35.7 9.7 50.0 19.6 114 131 A V E -e 94 0A 0 -21,-2.2 -19,-2.7 520,-0.1 2,-0.5 -0.968 67.1-163.6-125.9 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