==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-SEP-00 1FXH . COMPND 2 MOLECULE: PENICILLIN ACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.B.ALKEMA,C.M.HENSGENS,E.H.KROEZINGA,E.DE VRIES,R.FLORIS, . 763 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 493 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 37 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 4 1 2 0 1 2 4 2 1 1 0 2 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 3 1 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 0 0 PARALLEL BRIDGES PER LADDER . 8 5 3 2 3 3 3 1 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 . 2 3 0 1 1 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 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 3 A S > 0 0 81 0, 0.0 3,-1.1 0, 0.0 19,-0.3 0.000 360.0 360.0 360.0 132.9 -12.8 -25.1 29.8 2 4 A S T 3 + 0 0 77 1,-0.2 19,-0.3 18,-0.1 18,-0.3 0.798 360.0 46.5 -65.7 -29.4 -13.8 -21.4 29.6 3 5 A S T 3 S+ 0 0 24 17,-0.1 759,-2.6 16,-0.1 2,-0.4 0.404 92.1 111.2 -92.7 2.9 -10.4 -20.3 30.8 4 6 A E E < -A 761 0A 64 -3,-1.1 16,-0.5 757,-0.2 2,-0.4 -0.622 41.3-178.6 -87.7 132.7 -8.6 -22.6 28.4 5 7 A I E -AB 760 19A 0 755,-2.9 755,-3.4 -2,-0.4 2,-0.5 -0.988 9.9-160.8-126.6 119.0 -6.6 -21.3 25.4 6 8 A K E -AB 759 18A 65 12,-2.8 12,-2.7 -2,-0.4 2,-0.5 -0.880 1.9-164.6-104.2 133.5 -5.0 -23.9 23.1 7 9 A I E -AB 758 17A 4 751,-2.7 751,-1.8 -2,-0.5 2,-0.5 -0.960 7.8-179.8-117.7 116.0 -2.1 -22.9 20.8 8 10 A V E -AB 757 16A 3 8,-2.4 8,-1.9 -2,-0.5 2,-0.5 -0.965 9.4-161.2-116.7 121.0 -1.2 -25.2 17.9 9 11 A R E -AB 756 15A 26 747,-2.0 746,-3.4 -2,-0.5 747,-1.5 -0.858 12.2-144.9-101.3 134.1 1.7 -24.2 15.6 10 12 A D > - 0 0 0 4,-2.1 3,-2.2 -2,-0.5 744,-0.2 0.001 42.9 -71.1 -84.1-166.0 1.9 -25.9 12.2 11 13 A E T 3 S+ 0 0 93 742,-0.4 743,-0.1 1,-0.3 -1,-0.1 0.582 134.8 46.1 -71.3 -9.6 5.0 -26.9 10.2 12 14 A Y T 3 S- 0 0 66 2,-0.1 702,-0.5 701,-0.0 -1,-0.3 0.200 120.7-105.8-110.3 14.0 5.9 -23.3 9.4 13 15 A G < + 0 0 2 -3,-2.2 -2,-0.1 1,-0.3 714,-0.1 0.490 67.1 155.0 78.7 2.9 5.3 -22.2 13.0 14 16 A M - 0 0 0 -5,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.498 39.1-130.3 -67.7 123.3 2.1 -20.5 12.1 15 17 A P E -B 9 0A 0 0, 0.0 228,-2.1 0, 0.0 2,-0.5 -0.507 18.4-164.9 -80.8 139.9 -0.1 -20.3 15.3 16 18 A H E -Bc 8 243A 0 -8,-1.9 -8,-2.4 -2,-0.2 2,-0.4 -0.995 13.9-150.9-119.8 124.6 -3.7 -21.4 15.5 17 19 A I E -Bc 7 244A 0 226,-2.8 228,-2.3 -2,-0.5 2,-0.5 -0.800 9.2-168.3 -99.9 131.6 -5.6 -20.2 18.6 18 20 A Y E +Bc 6 245A 25 -12,-2.7 -12,-2.8 -2,-0.4 2,-0.3 -0.974 25.3 142.5-119.3 119.8 -8.5 -22.1 20.2 19 21 A A E -B 5 0A 6 226,-1.6 228,-0.3 -2,-0.5 -14,-0.1 -0.983 47.6-132.5-152.5 157.5 -10.5 -20.3 22.8 20 22 A N S S+ 0 0 103 -16,-0.5 227,-0.7 -2,-0.3 2,-0.2 0.873 84.0 31.7 -83.9 -40.6 -14.2 -20.0 23.9 21 23 A D S > S- 0 0 64 -19,-0.3 4,-2.5 225,-0.1 5,-0.2 -0.726 84.4-102.2-120.8 171.7 -14.7 -16.3 24.3 22 24 A T H > S+ 0 0 7 -2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.914 115.8 48.8 -55.2 -53.2 -13.4 -13.1 22.7 23 25 A W H > S+ 0 0 11 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.909 114.4 45.1 -58.1 -46.4 -11.0 -12.1 25.4 24 26 A H H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 111.0 54.8 -66.2 -38.2 -9.3 -15.5 25.6 25 27 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.944 114.4 37.9 -61.1 -50.5 -9.1 -15.8 21.8 26 28 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.715 109.8 62.8 -78.3 -17.7 -7.3 -12.5 21.3 27 29 A Y H X S+ 0 0 22 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.933 106.2 46.1 -64.5 -45.1 -5.3 -13.2 24.5 28 30 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.920 112.2 51.2 -61.8 -43.7 -3.9 -16.2 22.6 29 31 A Y H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.960 112.2 45.1 -57.2 -54.6 -3.3 -14.1 19.5 30 32 A G H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.864 110.1 57.3 -58.5 -36.3 -1.4 -11.5 21.5 31 33 A Y H X S+ 0 0 2 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.946 108.7 43.1 -60.2 -52.5 0.5 -14.2 23.3 32 34 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.801 110.9 56.5 -68.3 -29.0 1.9 -15.8 20.1 33 35 A V H X S+ 0 0 0 -4,-1.8 4,-3.1 -5,-0.2 -1,-0.2 0.895 105.8 51.0 -66.0 -40.7 2.7 -12.4 18.6 34 36 A A H X S+ 0 0 1 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.809 112.4 48.0 -65.9 -30.1 4.8 -11.6 21.7 35 37 A Q H < S+ 0 0 33 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.903 122.1 32.1 -74.5 -42.6 6.6 -14.9 21.1 36 38 A D H < S+ 0 0 10 -4,-2.4 680,-2.9 1,-0.1 681,-0.3 0.816 135.0 14.5 -86.2 -35.6 7.2 -14.4 17.4 37 39 A R H X S+ 0 0 5 -4,-3.1 4,-2.8 -5,-0.2 5,-0.3 -0.070 70.2 137.1-139.6 35.6 7.7 -10.7 16.9 38 40 A L H X S+ 0 0 4 -4,-0.6 4,-2.5 1,-0.2 5,-0.2 0.906 80.5 42.7 -58.7 -46.1 8.2 -8.9 20.2 39 41 A F H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.941 115.1 50.0 -66.9 -45.3 11.0 -6.6 19.0 40 42 A Q H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.912 114.5 45.0 -56.0 -44.3 9.3 -5.8 15.7 41 43 A M H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.862 111.3 52.6 -71.3 -36.3 6.1 -5.0 17.6 42 44 A E H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.946 113.9 42.9 -61.3 -48.0 7.9 -2.9 20.3 43 45 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.828 112.1 54.1 -70.7 -29.5 9.6 -0.9 17.6 44 46 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.892 107.7 51.6 -67.7 -39.2 6.3 -0.6 15.6 45 47 A R H X S+ 0 0 21 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.940 111.8 45.3 -59.4 -48.5 4.7 0.7 18.8 46 48 A R H X>S+ 0 0 17 -4,-2.2 5,-2.4 1,-0.2 4,-1.2 0.858 112.8 52.4 -65.4 -34.8 7.4 3.4 19.2 47 49 A S H <5S+ 0 0 0 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.928 111.4 45.1 -64.7 -45.7 7.1 4.2 15.5 48 50 A T H <5S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.658 121.9 38.0 -76.8 -14.5 3.4 4.7 15.7 49 51 A Q H <5S- 0 0 30 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.455 108.0-116.9-113.8 -2.8 3.6 6.8 18.8 50 52 A G T <5S+ 0 0 0 -4,-1.2 -3,-0.2 -3,-0.3 -4,-0.1 0.931 76.0 124.1 68.9 45.9 6.7 8.7 18.1 51 53 A T < + 0 0 22 -5,-2.4 4,-0.3 -8,-0.1 -4,-0.2 -0.021 33.0 108.1-123.1 27.9 8.8 7.4 21.0 52 54 A V >> + 0 0 0 -6,-0.6 4,-2.4 8,-0.2 3,-2.2 0.912 69.3 62.1 -72.4 -42.6 11.7 6.1 18.9 53 55 A A H 3> S+ 0 0 0 7,-0.5 263,-2.6 1,-0.3 4,-2.3 0.823 89.1 75.2 -53.9 -31.4 14.2 8.8 20.0 54 56 A E H 34 S+ 0 0 62 261,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.809 116.0 14.8 -49.4 -36.3 13.7 7.4 23.6 55 57 A V H <4 S+ 0 0 18 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.631 133.9 42.2-115.6 -20.8 15.9 4.4 22.7 56 58 A L H < S- 0 0 37 -4,-2.4 3,-0.4 1,-0.2 -3,-0.2 0.487 99.2-136.8-109.9 -5.1 17.6 5.3 19.4 57 59 A G >< - 0 0 8 -4,-2.3 3,-2.2 -5,-0.4 -1,-0.2 -0.214 46.3 -19.5 90.4-172.7 18.6 8.9 20.2 58 60 A K G > S+ 0 0 162 258,-0.5 3,-1.7 1,-0.3 4,-0.4 0.665 114.9 72.6 -51.8 -29.8 18.7 12.3 18.6 59 61 A D G 3 S+ 0 0 137 -3,-0.4 -1,-0.3 1,-0.3 4,-0.2 0.644 101.0 47.2 -65.9 -11.5 18.5 11.2 15.0 60 62 A F G <> S+ 0 0 41 -3,-2.2 4,-2.6 2,-0.1 -7,-0.5 0.263 80.7 97.1-113.1 12.6 14.9 10.3 15.5 61 63 A V H <> S+ 0 0 21 -3,-1.7 4,-2.4 2,-0.2 5,-0.2 0.927 87.1 46.9 -66.1 -45.5 13.6 13.4 17.3 62 64 A K H > S+ 0 0 180 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.917 112.6 51.7 -62.0 -41.7 12.3 14.9 14.1 63 65 A F H > S+ 0 0 31 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.949 109.8 47.9 -57.8 -52.5 10.6 11.6 13.3 64 66 A D H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.908 111.6 50.4 -57.4 -44.7 8.9 11.4 16.7 65 67 A K H X S+ 0 0 39 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.918 109.4 50.6 -60.6 -43.2 7.7 15.0 16.4 66 68 A D H X S+ 0 0 86 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.895 110.2 50.6 -63.8 -39.9 6.2 14.4 13.0 67 69 A I H >< S+ 0 0 14 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.956 112.3 45.3 -60.3 -51.4 4.4 11.3 14.2 68 70 A R H >< S+ 0 0 17 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.846 109.2 55.8 -65.7 -32.5 2.9 13.0 17.2 69 71 A R H 3< S+ 0 0 77 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.608 101.1 62.4 -71.7 -11.3 1.8 16.0 15.1 70 72 A N T << S+ 0 0 20 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 0.345 107.9 28.8-102.1 5.1 -0.1 13.7 12.8 71 73 A Y < - 0 0 15 -3,-1.1 260,-0.0 -4,-0.2 67,-0.0 -0.952 67.1-125.0-153.1 176.4 -2.6 12.3 15.3 72 74 A W >> - 0 0 24 -2,-0.3 4,-1.5 1,-0.1 3,-1.1 -0.857 15.2-164.4-131.9 94.7 -4.6 13.1 18.5 73 75 A P H 3> S+ 0 0 13 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.850 88.0 55.7 -43.1 -51.9 -4.1 10.5 21.3 74 76 A D H 3> S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.847 105.1 53.6 -58.9 -34.7 -7.1 11.6 23.3 75 77 A A H <> S+ 0 0 32 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.914 110.0 47.0 -65.3 -43.6 -9.4 11.1 20.3 76 78 A I H X S+ 0 0 2 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.920 112.0 50.6 -63.3 -42.7 -8.2 7.6 19.9 77 79 A R H X S+ 0 0 104 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.886 107.9 53.4 -63.2 -37.9 -8.6 6.9 23.6 78 80 A A H X S+ 0 0 59 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.895 107.2 51.0 -63.5 -41.1 -12.2 8.3 23.5 79 81 A Q H < S+ 0 0 29 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.904 111.5 48.5 -62.6 -40.1 -13.0 5.9 20.6 80 82 A I H >< S+ 0 0 13 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.925 108.7 52.7 -65.7 -43.6 -11.6 3.0 22.7 81 83 A A H 3< S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.777 106.2 55.6 -62.8 -25.9 -13.6 4.1 25.8 82 84 A A T 3< S+ 0 0 86 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.536 83.5 114.6 -85.4 -6.5 -16.8 4.1 23.7 83 85 A L S < S- 0 0 31 -3,-1.5 -3,-0.0 -4,-0.4 -4,-0.0 -0.326 71.9-113.4 -65.6 144.8 -16.3 0.5 22.6 84 86 A S > - 0 0 53 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.255 35.3-101.4 -66.8 164.4 -18.8 -2.1 23.7 85 87 A P H > S+ 0 0 109 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.876 122.8 53.4 -57.4 -36.9 -17.5 -4.8 26.1 86 88 A E H > S+ 0 0 99 2,-0.2 4,-0.8 1,-0.2 -3,-0.0 0.950 112.3 41.6 -65.1 -48.9 -17.3 -7.3 23.2 87 89 A D H >> S+ 0 0 32 1,-0.2 4,-1.1 2,-0.2 3,-0.8 0.880 112.5 55.2 -67.2 -36.5 -15.2 -5.0 21.0 88 90 A M H 3X S+ 0 0 47 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.872 98.6 63.4 -62.2 -35.6 -13.1 -3.9 24.0 89 91 A S H 3X S+ 0 0 9 -4,-1.8 4,-2.3 -5,-0.2 5,-0.3 0.801 96.8 58.3 -61.6 -29.3 -12.3 -7.6 24.7 90 92 A I H X S+ 0 0 87 -4,-1.4 4,-1.7 -5,-0.2 3,-0.7 0.910 110.1 53.2 -61.2 -42.3 7.7 -14.3 31.3 105 107 A V H 3< S+ 0 0 0 -4,-2.8 7,-0.3 1,-0.2 3,-0.3 0.931 111.0 45.0 -58.1 -47.1 10.4 -12.7 29.1 106 108 A N H 3< S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.553 109.7 56.2 -79.4 -5.7 11.3 -10.2 31.8 107 109 A T H << S+ 0 0 99 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.751 126.0 19.1 -90.5 -29.0 11.3 -12.9 34.5 108 110 A N S >X S+ 0 0 77 -4,-1.7 4,-2.3 -3,-0.3 3,-1.6 -0.451 71.5 154.5-136.6 62.4 13.8 -15.0 32.6 109 111 A P H 3> + 0 0 48 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.804 65.8 73.0 -61.3 -28.4 15.6 -12.6 30.1 110 112 A E H 34 S+ 0 0 119 1,-0.2 611,-0.1 2,-0.1 -4,-0.1 0.687 118.2 17.9 -62.3 -15.1 18.7 -14.8 29.9 111 113 A T H <4 S+ 0 0 78 -3,-1.6 -1,-0.2 -6,-0.2 610,-0.1 0.627 135.2 34.4-123.4 -28.7 16.7 -17.3 27.9 112 114 A L H < S+ 0 0 42 -4,-2.3 -2,-0.1 -7,-0.3 -7,-0.1 0.627 81.9 106.9-109.6 -15.7 13.6 -15.5 26.6 113 115 A L S < S- 0 0 19 -4,-1.5 5,-0.1 -5,-0.3 -11,-0.0 -0.515 76.3-116.8 -70.9 119.6 14.7 -11.9 25.8 114 116 A P >> - 0 0 8 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.310 24.2-121.6 -55.2 135.9 15.0 -11.4 22.0 115 117 A K H 3> S+ 0 0 61 603,-2.8 4,-2.6 1,-0.3 3,-0.5 0.823 106.9 67.6 -50.5 -38.9 18.6 -10.6 21.3 116 118 A Q H 3> S+ 0 0 5 1,-0.3 4,-3.5 2,-0.2 -1,-0.3 0.836 94.2 58.0 -54.6 -35.7 17.8 -7.2 19.7 117 119 A F H <>>S+ 0 0 0 -3,-1.7 5,-1.8 2,-0.2 4,-0.8 0.930 108.7 44.8 -61.8 -44.4 16.7 -5.9 23.1 118 120 A N H ><5S+ 0 0 125 -4,-0.8 3,-1.1 -3,-0.5 -2,-0.2 0.971 115.3 49.0 -59.1 -53.0 20.1 -6.6 24.5 119 121 A T H 3<5S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.904 114.7 43.1 -53.9 -48.2 21.7 -5.1 21.4 120 122 A F H 3<5S- 0 0 50 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.465 112.3-118.7 -84.7 -1.4 19.6 -1.9 21.4 121 123 A G T <<5S+ 0 0 52 -3,-1.1 2,-0.3 -4,-0.8 -3,-0.2 0.797 73.8 81.7 77.5 31.7 20.0 -1.4 25.2 122 124 A F < - 0 0 29 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.947 62.4-122.7-153.1 176.4 16.5 -1.6 26.6 123 125 A T - 0 0 79 -2,-0.3 2,-0.1 -3,-0.1 -17,-0.0 -0.911 32.1 -98.3-126.4 154.3 13.7 -4.0 27.7 124 126 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 -18,-0.1 -0.438 33.8-157.2 -72.8 140.0 10.1 -4.5 26.7 125 127 A K - 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