==== 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 27-SEP-00 1FXV . 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) . 27992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 496 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 38 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 26.2 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 3 2 1 0 1 1 4 3 1 1 0 2 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 6 6 3 3 3 1 4 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 1 0 0 1 0 1 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 87 0, 0.0 3,-1.4 0, 0.0 19,-0.3 0.000 360.0 360.0 360.0 125.5 13.0 -23.0 31.3 2 4 A S T 3 + 0 0 69 1,-0.3 19,-0.4 17,-0.1 18,-0.2 0.761 360.0 46.4 -61.4 -27.0 13.9 -23.7 27.7 3 5 A S T 3 S+ 0 0 22 17,-0.1 759,-2.9 16,-0.1 2,-0.4 0.512 92.0 106.5 -93.2 -4.9 10.4 -25.2 27.1 4 6 A E E < -A 761 0A 70 -3,-1.4 2,-0.5 757,-0.2 16,-0.5 -0.602 43.8-175.9 -87.3 131.1 8.6 -22.3 28.7 5 7 A I E -A 760 0A 0 755,-3.3 755,-3.3 -2,-0.4 2,-0.5 -0.984 9.6-159.4-121.8 118.6 6.6 -19.7 26.8 6 8 A K E -AB 759 18A 58 12,-2.7 12,-2.9 -2,-0.5 2,-0.5 -0.854 3.1-165.1 -99.9 134.6 5.0 -16.8 28.7 7 9 A I E +AB 758 17A 2 751,-3.4 751,-1.2 -2,-0.5 2,-0.5 -0.958 8.4 179.0-119.6 114.4 2.2 -14.8 27.2 8 10 A V E -AB 757 16A 0 8,-2.5 8,-1.8 -2,-0.5 2,-0.4 -0.959 9.3-161.9-119.6 120.1 1.2 -11.5 28.7 9 11 A R E -AB 756 15A 23 747,-1.4 746,-2.7 -2,-0.5 747,-1.2 -0.811 11.7-140.7 -99.6 137.8 -1.6 -9.4 27.3 10 12 A D E > -A 754 0A 0 4,-1.9 3,-2.1 -2,-0.4 744,-0.2 -0.100 44.0 -78.0 -82.8-171.0 -1.9 -5.7 28.1 11 13 A E T 3 S+ 0 0 102 742,-0.6 743,-0.1 1,-0.3 -1,-0.1 0.377 132.8 53.3 -79.6 9.5 -5.1 -3.8 28.7 12 14 A Y T 3 S- 0 0 64 2,-0.1 702,-0.5 701,-0.0 -1,-0.3 0.190 119.8-108.4-114.7 9.9 -5.8 -3.7 25.0 13 15 A G < + 0 0 1 -3,-2.1 -2,-0.1 1,-0.3 714,-0.1 0.531 66.2 154.1 79.0 4.6 -5.4 -7.4 24.6 14 16 A M - 0 0 0 1,-0.1 -4,-1.9 228,-0.1 -1,-0.3 -0.547 39.9-130.8 -70.7 121.8 -2.1 -7.0 22.8 15 17 A P E -B 9 0A 0 0, 0.0 228,-2.3 0, 0.0 2,-0.4 -0.545 18.9-166.9 -78.3 134.7 0.1 -10.1 23.3 16 18 A H E -Bc 8 243A 0 -8,-1.8 -8,-2.5 -2,-0.3 2,-0.5 -0.993 13.8-150.9-116.5 129.7 3.7 -10.0 24.4 17 19 A I E -Bc 7 244A 0 226,-3.3 228,-2.3 -2,-0.4 2,-0.5 -0.858 9.7-168.4-107.5 129.4 5.6 -13.3 24.1 18 20 A Y E +Bc 6 245A 34 -12,-2.9 -12,-2.7 -2,-0.5 2,-0.3 -0.970 25.9 139.1-117.9 122.6 8.5 -14.3 26.3 19 21 A A - 0 0 9 226,-1.7 228,-0.4 -2,-0.5 -14,-0.1 -0.985 47.4-132.2-158.4 156.4 10.7 -17.3 25.3 20 22 A N S S+ 0 0 97 -16,-0.5 227,-1.2 -19,-0.3 2,-0.2 0.943 83.8 34.2 -81.6 -52.9 14.3 -18.4 25.2 21 23 A D S > S- 0 0 62 -19,-0.4 4,-2.1 225,-0.1 5,-0.1 -0.571 84.6-105.1-107.5 172.1 14.8 -19.8 21.7 22 24 A T H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.903 113.7 51.5 -61.3 -50.9 13.5 -19.0 18.2 23 25 A W H > S+ 0 0 11 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.887 113.9 45.5 -57.1 -42.0 11.0 -21.9 17.8 24 26 A H H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.876 109.3 55.5 -70.0 -38.0 9.4 -21.2 21.1 25 27 A L H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.939 115.1 37.1 -61.0 -48.5 9.2 -17.4 20.6 26 28 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.716 109.1 63.2 -81.0 -19.6 7.3 -17.8 17.3 27 29 A Y H X S+ 0 0 23 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.914 106.5 46.8 -62.4 -42.2 5.3 -20.7 18.6 28 30 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.854 110.3 52.7 -67.8 -35.0 4.0 -18.2 21.1 29 31 A Y H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.962 111.2 45.0 -63.6 -53.3 3.3 -15.7 18.4 30 32 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.831 109.6 58.6 -61.2 -32.2 1.3 -18.2 16.3 31 33 A Y H X S+ 0 0 1 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.966 109.5 40.5 -60.6 -54.9 -0.6 -19.3 19.4 32 34 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.805 113.5 55.9 -67.7 -29.2 -1.9 -15.8 20.3 33 35 A V H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 -1,-0.2 0.926 105.7 50.2 -66.0 -45.8 -2.6 -15.2 16.6 34 36 A A H X S+ 0 0 1 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.776 112.9 49.6 -63.8 -25.2 -4.8 -18.3 16.4 35 37 A Q H < S+ 0 0 29 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.890 120.7 32.0 -78.7 -41.3 -6.6 -17.0 19.5 36 38 A D H < S+ 0 0 10 -4,-2.3 680,-2.7 1,-0.1 681,-0.3 0.851 136.3 13.7 -84.7 -38.1 -7.2 -13.5 18.2 37 39 A R H X S+ 0 0 6 -4,-3.3 4,-2.8 -5,-0.2 5,-0.3 0.050 71.2 136.9-135.5 26.8 -7.6 -13.9 14.4 38 40 A L H X S+ 0 0 3 -4,-0.6 4,-2.2 1,-0.2 5,-0.2 0.863 80.6 42.8 -47.6 -50.8 -8.1 -17.5 13.5 39 41 A F H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 114.6 50.1 -66.1 -44.6 -10.9 -17.0 11.0 40 42 A Q H > S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.899 113.9 46.1 -56.8 -42.6 -9.3 -13.9 9.4 41 43 A M H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.852 110.1 53.2 -72.2 -34.5 -6.0 -15.9 9.0 42 44 A E H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.925 112.8 44.0 -63.6 -45.2 -7.8 -19.0 7.6 43 45 A M H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.784 112.1 52.9 -73.1 -28.7 -9.5 -16.9 5.0 44 46 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.903 107.4 52.6 -70.0 -40.9 -6.2 -15.0 4.3 45 47 A R H X S+ 0 0 20 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.941 111.7 45.7 -57.1 -46.6 -4.6 -18.4 3.8 46 48 A R H X>S+ 0 0 12 -4,-2.0 5,-2.3 1,-0.2 4,-1.1 0.828 112.0 52.6 -67.0 -31.9 -7.3 -19.4 1.3 47 49 A S H <5S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.913 110.6 45.6 -68.6 -43.8 -7.0 -16.0 -0.4 48 50 A T H <5S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.641 121.5 38.2 -78.9 -13.1 -3.2 -16.2 -0.9 49 51 A Q H <5S- 0 0 31 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.463 108.5-117.3-114.2 -5.9 -3.4 -19.8 -2.2 50 52 A G T <5S+ 0 0 0 -4,-1.1 -3,-0.2 -3,-0.2 3,-0.1 0.887 75.5 123.9 73.2 40.8 -6.6 -19.6 -4.2 51 53 A T < + 0 0 22 -5,-2.3 4,-0.4 -6,-0.1 -4,-0.2 -0.047 33.1 108.7-118.9 29.5 -8.7 -22.1 -2.2 52 54 A V >> + 0 0 0 -6,-0.5 4,-2.7 8,-0.2 3,-1.3 0.841 69.3 62.1 -77.3 -33.9 -11.6 -19.8 -1.4 53 55 A A H 3> S+ 0 0 0 7,-0.4 263,-2.9 1,-0.3 4,-2.2 0.828 89.2 74.1 -61.8 -29.6 -14.1 -21.5 -3.8 54 56 A E H 34 S+ 0 0 63 261,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.851 116.9 15.6 -49.5 -38.7 -13.6 -24.6 -1.6 55 57 A V H <4 S+ 0 0 19 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.660 134.4 40.9-113.4 -20.8 -15.7 -23.0 1.1 56 58 A L H < S- 0 0 43 -4,-2.7 3,-0.3 1,-0.2 -3,-0.2 0.556 98.6-142.7-106.5 -11.0 -17.5 -20.1 -0.6 57 59 A G >< - 0 0 5 -4,-2.2 3,-2.0 -5,-0.4 -1,-0.2 -0.320 45.4 -11.8 92.1-166.8 -18.4 -21.7 -3.9 58 60 A K G > S+ 0 0 148 258,-0.6 3,-1.9 1,-0.3 4,-0.4 0.703 114.7 67.6 -50.6 -38.3 -18.7 -20.8 -7.5 59 61 A D G 3 S+ 0 0 124 -3,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.632 101.8 50.7 -65.3 -11.0 -18.4 -17.1 -7.4 60 62 A F G <> S+ 0 0 41 -3,-2.0 4,-2.8 2,-0.1 -7,-0.4 0.288 80.0 95.0-108.4 10.5 -14.7 -17.4 -6.3 61 63 A V H <> S+ 0 0 14 -3,-1.9 4,-3.0 2,-0.2 5,-0.2 0.951 87.3 47.0 -65.1 -49.8 -13.5 -19.8 -9.0 62 64 A K H > S+ 0 0 167 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.929 113.8 50.3 -54.9 -47.1 -12.2 -17.0 -11.3 63 65 A F H > S+ 0 0 30 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.938 111.3 47.2 -55.5 -51.7 -10.5 -15.5 -8.2 64 66 A D H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.922 111.4 51.0 -58.7 -47.0 -8.9 -18.9 -7.2 65 67 A K H X S+ 0 0 46 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.919 110.3 50.1 -56.6 -43.9 -7.7 -19.5 -10.8 66 68 A D H X S+ 0 0 69 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.899 108.0 52.3 -65.1 -41.1 -6.1 -16.0 -10.9 67 69 A I H >< S+ 0 0 14 -4,-2.3 3,-1.1 1,-0.2 4,-0.3 0.952 112.4 44.6 -59.2 -48.6 -4.3 -16.5 -7.6 68 70 A R H >< S+ 0 0 15 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.826 109.2 55.9 -69.0 -31.3 -2.8 -19.7 -8.7 69 71 A R H 3< S+ 0 0 96 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.626 101.2 62.4 -71.4 -13.5 -1.8 -18.4 -12.1 70 72 A N T << S+ 0 0 23 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 0.491 108.7 25.6 -96.0 -3.4 0.1 -15.6 -10.4 71 73 A Y < - 0 0 12 -3,-0.9 260,-0.0 -4,-0.3 67,-0.0 -0.920 65.8-124.2-149.9 177.6 2.7 -17.7 -8.6 72 74 A W >> - 0 0 25 -2,-0.3 3,-1.3 1,-0.1 4,-1.2 -0.840 15.5-167.0-131.3 93.2 4.7 -20.9 -8.4 73 75 A P H 3> S+ 0 0 13 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.802 86.7 59.8 -49.7 -39.1 4.3 -22.8 -5.1 74 76 A D H 3> S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.874 103.4 52.9 -60.4 -36.2 7.2 -25.2 -5.8 75 77 A A H <> S+ 0 0 31 -3,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.869 109.6 48.3 -66.3 -37.2 9.5 -22.2 -6.0 76 78 A I H X S+ 0 0 2 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.927 111.6 48.7 -68.1 -45.4 8.2 -21.1 -2.6 77 79 A R H X S+ 0 0 100 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.846 107.8 56.1 -62.8 -35.0 8.7 -24.5 -1.1 78 80 A A H X S+ 0 0 61 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.892 107.1 48.6 -65.0 -39.1 12.2 -24.6 -2.5 79 81 A Q H X S+ 0 0 29 -4,-1.5 4,-0.6 2,-0.2 3,-0.3 0.896 111.2 50.4 -67.7 -38.2 13.1 -21.4 -0.8 80 82 A I H >< S+ 0 0 15 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.907 107.5 53.6 -63.8 -41.6 11.7 -22.7 2.5 81 83 A A H 3< S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.759 106.4 53.8 -64.8 -25.6 13.7 -25.9 2.1 82 84 A A H 3< S+ 0 0 83 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.589 83.6 114.7 -85.4 -12.2 16.9 -23.8 1.7 83 85 A L S << S- 0 0 30 -3,-1.1 -3,-0.0 -4,-0.6 -4,-0.0 -0.251 73.1-110.6 -60.7 144.5 16.3 -21.9 4.9 84 86 A S > - 0 0 51 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.266 34.3-103.1 -64.9 162.2 18.9 -22.4 7.7 85 87 A P H > S+ 0 0 110 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.878 123.9 53.5 -55.4 -35.9 17.6 -24.3 10.8 86 88 A E H > S+ 0 0 107 2,-0.2 4,-0.8 1,-0.2 -3,-0.1 0.944 111.8 40.9 -66.0 -51.7 17.4 -20.9 12.5 87 89 A D H >> S+ 0 0 32 1,-0.2 4,-1.1 2,-0.2 3,-0.7 0.872 113.6 54.9 -65.5 -37.5 15.2 -19.2 9.9 88 90 A M H 3X S+ 0 0 48 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.870 98.0 64.0 -62.0 -36.3 13.1 -22.3 9.5 89 91 A S H 3X S+ 0 0 10 -4,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.816 96.8 58.6 -59.1 -31.6 12.4 -22.2 13.2 90 92 A I H X S+ 0 0 0 -4,-1.8 4,-3.4 1,-0.2 3,-0.6 0.938 111.4 53.1 -57.7 -47.4 -1.3 -21.9 15.6 99 101 A N H 3X S+ 0 0 20 -4,-2.1 4,-3.0 1,-0.3 5,-0.2 0.860 101.6 59.4 -59.1 -37.7 -1.7 -25.7 15.5 100 102 A A H 3X S+ 0 0 14 -4,-2.1 4,-1.1 1,-0.2 -1,-0.3 0.883 115.0 35.9 -58.7 -38.1 -1.5 -25.9 19.3 101 103 A W H X S+ 0 0 79 -4,-1.5 4,-2.2 -5,-0.1 3,-1.8 -0.396 75.1 152.7-128.9 55.6 -13.7 -28.1 22.4 109 111 A P H 3> + 0 0 49 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.777 62.1 72.3 -56.5 -31.2 -15.5 -26.3 19.5 110 112 A E H 34 S+ 0 0 120 1,-0.2 611,-0.1 2,-0.2 -4,-0.1 0.642 118.5 18.0 -65.6 -11.3 -18.7 -25.6 21.4 111 113 A T H <4 S+ 0 0 79 -3,-1.8 -1,-0.2 -6,-0.2 610,-0.1 0.581 134.8 36.5-125.2 -27.0 -16.8 -23.0 23.4 112 114 A L H < S+ 0 0 45 -4,-2.2 -2,-0.2 -7,-0.3 -7,-0.1 0.592 82.1 105.5-110.2 -13.1 -13.7 -22.2 21.4 113 115 A L S < S- 0 0 19 -4,-1.8 5,-0.1 -5,-0.3 -11,-0.0 -0.577 76.9-115.9 -75.9 120.4 -14.7 -22.3 17.7 114 116 A P >> - 0 0 5 0, 0.0 3,-1.5 0, 0.0 4,-0.9 -0.296 24.4-122.4 -53.3 134.4 -15.0 -18.8 16.3 115 117 A K H >> S+ 0 0 67 603,-3.1 4,-2.4 1,-0.3 3,-0.5 0.837 106.4 67.1 -49.3 -40.9 -18.6 -18.2 15.3 116 118 A Q H 3> S+ 0 0 6 1,-0.3 4,-3.3 2,-0.2 -1,-0.3 0.833 94.6 57.6 -54.2 -36.6 -17.7 -17.4 11.7 117 119 A F H <4>S+ 0 0 0 -3,-1.5 5,-2.3 2,-0.2 4,-0.5 0.927 109.2 44.5 -60.9 -45.8 -16.5 -21.0 11.1 118 120 A N H X<5S+ 0 0 121 -4,-0.9 3,-0.9 -3,-0.5 -2,-0.2 0.939 115.5 49.4 -59.8 -47.0 -19.9 -22.4 12.2 119 121 A T H 3<5S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.882 113.3 43.7 -63.3 -42.6 -21.6 -19.7 10.0 120 122 A F T 3<5S- 0 0 48 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.397 115.9-115.6 -87.7 3.2 -19.5 -20.3 6.9 121 123 A G T < 5S+ 0 0 52 -3,-0.9 2,-0.3 -4,-0.5 -3,-0.2 0.815 75.3 78.3 76.0 35.4 -19.9 -24.1 7.4 122 124 A F < - 0 0 32 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.2 -0.967 62.1-122.0-159.4 176.2 -16.5 -25.5 8.0 123 125 A T - 0 0 80 -2,-0.3 2,-0.1 -3,-0.1 -17,-0.0 -0.908 33.2 -97.7-127.0 155.2 -13.7 -25.9 10.5 124 126 A P - 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0 0 34 -759,-2.9 2,-0.4 -2,-0.5 -2,-0.0 -0.999 31.5-156.2-146.0 143.5 6.4 -27.3 25.2 763 556 B Q 0 0 110 -2,-0.3 -760,-0.1 -739,-0.0 -2,-0.0 -0.932 360.0 360.0-118.8 150.6 9.3 -29.0 23.6 764 557 B R 0 0 172 -2,-0.4 -740,-0.0 0, 0.0 -671,-0.0 -0.378 360.0 360.0 -77.1 360.0 10.0 -29.3 19.9