==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUN-05 2BU2 . COMPND 2 MOLECULE: PYRUVATE DEHYDROGENSAE KINASE ISOENZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.R.KNOECHEL,A.D.TUCKER,C.M.ROBINSON,C.PHILLIPS,W.TAYLOR, . 358 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 9.8 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 23 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 43.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 3 1 0 0 1 0 0 1 0 1 0 1 0 0 1 0 1 1 0 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 6 A G 0 0 132 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 28.8 62.2 41.1 101.0 2 7 A S >> + 0 0 44 1,-0.1 4,-2.1 2,-0.1 3,-0.5 0.129 360.0 110.6-124.9 22.4 60.6 44.5 100.4 3 8 A A H 3> S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.923 79.7 55.8 -62.3 -43.5 58.4 44.0 97.2 4 9 A P H 3> S+ 0 0 97 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.774 108.8 49.6 -59.9 -24.6 55.2 44.3 99.3 5 10 A K H <> S+ 0 0 151 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.931 110.7 46.7 -78.3 -50.3 56.5 47.7 100.5 6 11 A Y H X S+ 0 0 71 -4,-2.1 4,-2.3 1,-0.2 3,-0.5 0.935 112.7 50.3 -55.5 -50.7 57.4 49.0 97.1 7 12 A I H X S+ 0 0 13 -4,-2.7 4,-1.6 1,-0.3 -1,-0.2 0.921 108.7 52.5 -54.4 -46.6 54.1 47.9 95.6 8 13 A E H < S+ 0 0 87 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.805 113.2 46.8 -60.0 -31.3 52.3 49.6 98.5 9 14 A H H >< S+ 0 0 96 -4,-1.6 3,-1.9 -3,-0.5 4,-0.5 0.982 116.7 35.8 -76.4 -64.6 54.2 52.8 97.7 10 15 A F H >< S+ 0 0 8 -4,-2.3 3,-0.6 1,-0.3 -2,-0.2 0.693 106.0 73.8 -65.0 -16.8 53.9 53.3 94.0 11 16 A S T 3< S+ 0 0 6 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.2 0.522 87.9 63.2 -72.8 -5.6 50.4 51.8 94.3 12 17 A K T < S+ 0 0 126 -3,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.793 92.8 73.6 -88.0 -31.7 49.5 55.2 95.8 13 18 A F S < S- 0 0 96 -3,-0.6 0, 0.0 -4,-0.5 0, 0.0 -0.350 80.1-130.0 -77.6 161.0 50.3 57.1 92.6 14 19 A S - 0 0 69 328,-0.1 32,-0.1 -2,-0.1 31,-0.1 -0.890 30.1-103.7-110.5 143.1 48.0 56.9 89.6 15 20 A P - 0 0 13 0, 0.0 325,-0.1 0, 0.0 27,-0.0 -0.364 33.3-121.7 -65.7 149.9 49.5 56.2 86.2 16 21 A S - 0 0 57 26,-0.0 2,-0.1 -2,-0.0 322,-0.1 -0.795 19.3-139.6 -97.8 103.4 49.8 59.2 83.8 17 22 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 322,-0.0 -0.386 19.3-154.2 -63.3 130.6 48.0 58.8 80.5 18 23 A L - 0 0 25 -2,-0.1 320,-2.6 3,-0.0 2,-0.3 -0.797 6.3-133.2-105.7 148.7 50.0 60.1 77.6 19 24 A S B > -A 337 0A 17 -2,-0.3 4,-1.3 318,-0.2 3,-0.4 -0.685 22.7-116.6 -99.1 155.1 48.6 61.5 74.4 20 25 A M H > S+ 0 0 0 316,-2.7 4,-1.9 313,-0.5 314,-0.1 0.747 116.6 56.8 -63.1 -22.4 50.0 60.5 71.0 21 26 A K H > S+ 0 0 88 312,-0.7 4,-4.0 2,-0.2 -1,-0.2 0.896 102.9 53.7 -75.3 -35.9 51.0 64.1 70.3 22 27 A Q H 4 S+ 0 0 104 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.817 110.6 48.5 -62.3 -29.8 53.1 64.0 73.5 23 28 A F H < S+ 0 0 17 -4,-1.3 3,-0.4 1,-0.1 -1,-0.2 0.878 117.4 40.9 -74.7 -40.8 54.7 60.8 72.0 24 29 A L H < S+ 0 0 32 -4,-1.9 2,-2.4 1,-0.2 -2,-0.2 0.908 103.2 64.7 -73.3 -47.8 55.2 62.6 68.7 25 30 A D < 0 0 115 -4,-4.0 -1,-0.2 -5,-0.1 -3,-0.1 -0.086 360.0 360.0 -70.6 41.8 56.4 66.0 70.0 26 31 A F 0 0 86 -2,-2.4 5,-0.1 -3,-0.4 -3,-0.1 -0.747 360.0 360.0-137.1 360.0 59.3 64.1 71.4 27 ! 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 28 34 A S 0 0 136 0, 0.0 134,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 108.0 67.1 60.7 68.5 29 35 A N + 0 0 114 2,-0.1 3,-0.1 132,-0.1 133,-0.0 0.822 360.0 152.5 102.5 48.7 68.0 62.5 71.8 30 36 A A S S- 0 0 50 1,-0.2 4,-0.1 3,-0.0 -1,-0.0 -0.082 94.3 -77.4 -86.6 31.0 65.1 64.7 72.8 31 37 A C - 0 0 38 3,-0.1 4,-0.4 2,-0.1 -1,-0.2 0.695 44.4-155.0 72.0 124.0 67.0 63.6 75.9 32 38 A E S > S+ 0 0 39 2,-0.2 4,-4.5 3,-0.1 5,-0.1 0.439 96.6 72.3 -99.1 -6.8 66.5 60.1 77.1 33 39 A K H > S+ 0 0 81 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.929 98.3 48.6 -67.0 -43.5 67.6 61.5 80.4 34 40 A T H > S+ 0 0 77 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.842 116.8 41.4 -62.2 -36.1 64.2 63.1 80.3 35 41 A S H > S+ 0 0 16 -4,-0.4 4,-3.6 2,-0.2 5,-0.3 0.895 112.5 54.6 -77.8 -43.2 62.7 59.8 79.4 36 42 A F H X S+ 0 0 0 -4,-4.5 4,-1.9 1,-0.2 -2,-0.2 0.931 110.5 45.0 -55.0 -51.1 64.8 57.9 81.9 37 43 A T H < S+ 0 0 60 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.796 116.5 47.7 -66.2 -29.0 63.7 60.1 84.8 38 44 A F H >X S+ 0 0 75 -4,-0.8 4,-2.5 -5,-0.3 3,-0.7 0.918 112.9 45.8 -77.2 -45.3 60.1 59.8 83.7 39 45 A L H 3X S+ 0 0 5 -4,-3.6 4,-1.9 1,-0.2 -2,-0.2 0.763 101.1 67.7 -69.4 -25.5 60.1 56.0 83.2 40 46 A R H 3< S+ 0 0 33 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.796 115.4 28.3 -62.2 -31.6 61.8 55.4 86.6 41 47 A Q H <> S+ 0 0 80 -3,-0.7 4,-1.4 -4,-0.5 -2,-0.2 0.827 122.2 49.7 -96.2 -44.2 58.7 56.7 88.3 42 48 A E H X S+ 0 0 10 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.917 107.8 50.1 -66.4 -47.9 56.0 55.8 85.7 43 49 A L H X S+ 0 0 0 -4,-1.9 4,-3.4 1,-0.2 5,-0.3 0.944 111.8 49.5 -58.1 -47.4 56.9 52.1 85.1 44 50 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.850 111.1 50.8 -60.1 -33.9 57.0 51.4 88.9 45 51 A V H X S+ 0 0 4 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.908 114.7 42.2 -70.3 -41.1 53.6 53.1 89.2 46 52 A R H X S+ 0 0 6 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.925 115.4 48.8 -72.6 -42.8 52.0 51.1 86.4 47 53 A L H X S+ 0 0 5 -4,-3.4 4,-2.1 -5,-0.2 5,-0.2 0.952 113.4 47.8 -59.1 -50.3 53.7 47.8 87.5 48 54 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.849 108.4 54.6 -60.3 -39.3 52.6 48.3 91.1 49 55 A N H X S+ 0 0 7 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.923 112.8 41.0 -65.5 -42.9 49.0 49.2 90.2 50 56 A I H X S+ 0 0 4 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.842 116.9 50.3 -74.9 -26.8 48.4 46.1 88.2 51 57 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.833 107.3 53.9 -75.2 -32.4 50.2 44.0 90.8 52 58 A K H X S+ 0 0 40 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.909 109.4 48.9 -66.2 -41.9 48.2 45.6 93.6 53 59 A E H >< S+ 0 0 8 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.921 109.1 52.4 -62.6 -47.0 45.0 44.5 91.7 54 60 A I H >< S+ 0 0 0 -4,-1.9 3,-2.2 1,-0.2 -2,-0.2 0.928 102.8 58.4 -54.6 -50.6 46.3 41.0 91.3 55 61 A N H 3< S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.647 99.9 58.0 -57.0 -18.9 47.1 40.6 95.0 56 62 A L T << S+ 0 0 81 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.251 83.0 114.5 -98.5 14.4 43.4 41.2 95.9 57 63 A L S < S- 0 0 19 -3,-2.2 5,-0.1 1,-0.2 -3,-0.0 -0.476 85.6 -81.0 -79.5 150.3 42.3 38.3 93.7 58 64 A P >> - 0 0 57 0, 0.0 4,-2.7 0, 0.0 3,-1.9 -0.211 39.4-123.4 -50.5 145.2 40.6 35.3 95.4 59 65 A D H 3> S+ 0 0 113 1,-0.3 4,-2.9 2,-0.2 5,-0.1 0.741 111.5 68.2 -64.4 -20.5 43.4 33.1 96.8 60 66 A R H 34 S+ 0 0 120 2,-0.2 -1,-0.3 1,-0.2 4,-0.0 0.646 110.5 33.4 -73.2 -13.3 41.9 30.3 94.7 61 67 A V H X4 S+ 0 0 29 -3,-1.9 3,-1.0 2,-0.1 6,-0.5 0.744 117.6 56.0-102.3 -43.0 43.1 32.3 91.6 62 68 A L H 3< S+ 0 0 23 -4,-2.7 -2,-0.2 1,-0.2 6,-0.2 0.865 101.1 56.5 -55.7 -45.3 46.1 33.6 93.4 63 69 A S T 3< S+ 0 0 75 -4,-2.9 -1,-0.2 -5,-0.1 -3,-0.1 0.608 80.0 109.7 -68.0 -15.2 47.5 30.2 94.3 64 70 A T S <> S- 0 0 13 -3,-1.0 4,-2.4 1,-0.2 5,-0.3 -0.348 79.2-124.9 -64.7 142.0 47.6 28.8 90.8 65 71 A P H > S+ 0 0 97 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.812 109.5 67.2 -54.4 -25.8 51.1 28.3 89.3 66 72 A S H >> S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 3,-0.6 0.990 107.1 28.1 -53.7 -80.5 49.6 30.5 86.6 67 73 A V H 3> S+ 0 0 7 -6,-0.5 4,-3.1 1,-0.2 -1,-0.2 0.843 120.1 57.9 -57.4 -35.1 49.1 33.8 88.4 68 74 A Q H 3X S+ 0 0 94 -4,-2.4 4,-0.8 -7,-0.2 -1,-0.2 0.858 105.9 48.5 -67.9 -34.8 52.0 33.1 90.7 69 75 A L H X S+ 0 0 43 -4,-2.2 4,-1.1 1,-0.2 3,-0.5 0.870 109.6 61.4 -62.6 -37.6 62.9 45.4 91.5 80 86 A D H 3< S+ 0 0 38 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.859 108.8 41.1 -56.4 -39.1 64.7 45.4 88.2 81 87 A I H >< S+ 0 0 1 -4,-1.9 3,-0.8 -3,-0.5 -1,-0.2 0.584 101.0 69.5 -90.1 -10.3 63.8 49.0 87.5 82 88 A M H X< S+ 0 0 11 -4,-0.9 3,-4.8 -3,-0.5 4,-0.4 0.912 75.1 82.1 -73.4 -39.5 64.3 50.4 91.0 83 89 A E T 3< S+ 0 0 129 -4,-1.1 3,-0.3 1,-0.3 -1,-0.2 0.694 93.3 53.8 -34.5 -25.3 68.1 50.0 90.9 84 90 A F T < S+ 0 0 15 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.415 77.5 94.7 -95.9 -0.9 67.9 53.3 89.0 85 91 A L S < S+ 0 0 56 -3,-4.8 -1,-0.2 1,-0.2 -2,-0.1 0.836 98.4 30.3 -61.3 -34.2 65.9 55.3 91.5 86 92 A D S S+ 0 0 127 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.512 99.9 106.2-101.9 -7.6 69.0 56.8 93.1 87 93 A K - 0 0 87 -4,-0.2 -3,-0.1 -3,-0.1 -4,-0.0 0.100 64.2-130.9 -59.8-176.5 71.2 56.8 90.0 88 94 A D > - 0 0 87 1,-0.2 3,-0.7 3,-0.1 6,-0.2 -0.996 6.3-138.4-143.0 131.0 72.1 59.9 88.2 89 95 A P T 3 S+ 0 0 16 0, 0.0 2,-4.8 0, 0.0 -1,-0.2 0.440 82.7 77.1 -62.6-138.1 71.8 60.6 84.4 90 96 A E T 3 S+ 0 0 113 1,-0.2 2,-1.2 2,-0.1 -57,-0.0 -0.049 75.1 99.7 61.6 -45.2 74.7 62.5 82.9 91 97 A D X> - 0 0 77 -2,-4.8 3,-2.1 -3,-0.7 4,-1.2 -0.615 70.0-154.2 -74.0 100.1 76.5 59.1 83.2 92 98 A H T 34 S+ 0 0 161 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.480 95.9 52.2 -54.9 0.0 76.1 57.9 79.6 93 99 A R T 3> S+ 0 0 169 2,-0.1 4,-0.6 -4,-0.1 -1,-0.3 0.629 96.3 63.4-109.5 -24.7 76.4 54.5 81.1 94 100 A T T <4 S+ 0 0 16 -3,-2.1 -2,-0.2 1,-0.2 4,-0.1 0.795 109.8 41.2 -71.1 -28.4 73.7 54.8 83.8 95 101 A L T X S+ 0 0 14 -4,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.499 107.0 60.2 -98.6 -5.6 71.0 55.2 81.1 96 102 A S H > S+ 0 0 52 -5,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.543 102.7 54.4 -93.7 -10.5 72.4 52.6 78.8 97 103 A Q H X S+ 0 0 81 -4,-0.6 4,-1.2 2,-0.2 -2,-0.2 0.581 104.6 55.3 -92.7 -15.9 71.9 50.1 81.6 98 104 A F H > S+ 0 0 0 2,-0.2 4,-2.1 3,-0.2 -2,-0.2 0.918 105.7 50.1 -79.5 -48.8 68.3 51.2 81.8 99 105 A T H X S+ 0 0 17 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.906 114.9 43.9 -55.3 -44.4 67.7 50.5 78.1 100 106 A D H X S+ 0 0 107 -4,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.878 110.2 56.2 -68.4 -36.4 69.2 47.0 78.6 101 107 A A H X S+ 0 0 15 -4,-1.2 4,-1.2 1,-0.2 -2,-0.2 0.815 109.4 47.4 -63.6 -30.3 67.1 46.7 81.8 102 108 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.917 108.7 50.9 -77.9 -45.2 64.0 47.4 79.7 103 109 A V H X S+ 0 0 42 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.870 111.9 50.5 -59.3 -36.1 64.7 44.9 76.9 104 110 A T H X S+ 0 0 75 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.856 111.8 45.8 -70.9 -36.6 65.3 42.3 79.5 105 111 A I H X S+ 0 0 7 -4,-1.2 4,-1.1 2,-0.2 -2,-0.2 0.889 110.3 53.9 -73.1 -40.4 62.0 43.0 81.3 106 112 A R H >< S+ 0 0 54 -4,-2.9 3,-0.7 1,-0.2 4,-0.2 0.934 112.1 43.7 -59.2 -48.2 60.0 43.1 78.1 107 113 A N H >< S+ 0 0 84 -4,-1.8 3,-0.9 1,-0.2 4,-0.3 0.789 104.3 65.1 -69.6 -27.4 61.3 39.7 77.1 108 114 A R H 3< S+ 0 0 66 -4,-1.2 -1,-0.2 1,-0.2 3,-0.2 0.789 109.9 38.5 -65.2 -26.4 60.8 38.4 80.6 109 115 A H T X< S+ 0 0 14 -4,-1.1 3,-1.7 -3,-0.7 -1,-0.2 0.328 82.1 112.8-105.2 5.6 57.0 38.9 80.1 110 116 A N T < S+ 0 0 75 -3,-0.9 3,-0.3 1,-0.3 -1,-0.1 0.746 78.1 46.0 -51.4 -30.3 56.8 37.8 76.5 111 117 A D T 3> S+ 0 0 109 -4,-0.3 4,-1.4 -3,-0.2 -1,-0.3 -0.011 74.0 115.2-108.0 33.9 54.8 34.7 77.2 112 118 A V H <> + 0 0 0 -3,-1.7 4,-3.5 2,-0.2 5,-0.3 0.925 69.5 58.9 -65.3 -47.8 52.1 36.1 79.5 113 119 A V H > S+ 0 0 31 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.917 110.6 40.2 -50.8 -51.7 49.1 35.5 77.3 114 120 A P H > S+ 0 0 76 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.867 116.1 53.1 -66.9 -33.8 49.6 31.7 77.0 115 121 A T H >X S+ 0 0 27 -4,-1.4 4,-0.9 2,-0.2 3,-0.5 0.950 112.4 42.6 -64.1 -51.1 50.5 31.6 80.7 116 122 A M H >X S+ 0 0 8 -4,-3.5 4,-1.8 1,-0.2 3,-0.8 0.872 108.5 59.9 -63.8 -37.7 47.4 33.4 81.8 117 123 A A H 3X S+ 0 0 13 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.820 101.2 56.2 -59.0 -31.4 45.3 31.4 79.3 118 124 A Q H S+ 0 0 26 -4,-2.6 4,-3.0 1,-0.2 5,-1.1 0.903 107.3 55.9 -61.6 -44.4 39.8 27.7 86.6 124 130 A K H <5S+ 0 0 48 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.873 118.7 33.0 -55.4 -41.3 37.3 26.4 84.0 125 131 A D H <5S+ 0 0 133 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.721 121.1 49.1 -90.7 -22.4 38.0 22.8 85.1 126 132 A T H <5S+ 0 0 71 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.851 134.4 4.6 -86.0 -36.1 38.7 23.5 88.8 127 133 A Y T <5S- 0 0 124 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.518 104.2-112.7-126.3 -11.1 35.6 25.6 89.5 128 134 A G < - 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