==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 10-MAY-05 1ZMA . COMPND 2 MOLECULE: BACTEROCIN TRANSPORT ACCESSORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR Y.KIM,C.HATZOS,J.ABDULLAH,F.COLLART,A.JOACHIMIAK,MIDWEST . 118 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 10.2 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 . 1 0.8 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 . 8 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.5 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 0 1 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -2 A S >> 0 0 83 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 162.6 9.0 20.0 6.5 2 -1 A N H 3> + 0 0 152 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.873 360.0 54.5 -51.0 -41.1 9.8 23.3 8.2 3 0 A A H 3> S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 105.1 52.2 -65.6 -36.8 8.8 21.7 11.6 4 1 A X H <> S+ 0 0 47 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.904 108.1 51.6 -65.2 -38.2 11.3 18.8 11.0 5 2 A E H X S+ 0 0 112 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.904 107.4 52.3 -64.5 -38.2 14.0 21.3 10.4 6 3 A Q H X S+ 0 0 99 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.872 105.9 56.2 -63.1 -36.7 13.1 23.0 13.7 7 4 A F H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.933 104.0 52.0 -57.1 -46.7 13.4 19.6 15.3 8 5 A L H < S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.867 112.2 46.3 -61.4 -37.9 17.0 19.2 14.0 9 6 A D H >< S+ 0 0 83 -4,-1.8 3,-1.8 1,-0.2 4,-0.3 0.945 109.9 54.1 -64.9 -46.5 17.8 22.6 15.5 10 7 A N H 3< S+ 0 0 34 -4,-2.9 3,-0.3 1,-0.3 -2,-0.2 0.821 114.1 41.0 -58.8 -33.8 16.0 21.7 18.8 11 8 A I T >< S+ 0 0 16 -4,-2.2 3,-2.1 1,-0.2 -1,-0.3 0.336 80.5 111.7 -97.0 12.2 18.2 18.5 19.1 12 9 A K T < S+ 0 0 122 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.765 80.2 45.6 -62.2 -27.1 21.5 20.1 18.0 13 10 A D T 3 S+ 0 0 105 -3,-0.3 49,-0.4 -4,-0.3 2,-0.3 0.370 91.7 97.3-100.7 5.3 23.1 19.8 21.5 14 11 A L S < S- 0 0 15 -3,-2.1 2,-0.6 47,-0.1 49,-0.2 -0.687 79.8-118.1 -82.3 150.6 22.0 16.3 22.1 15 12 A E E -a 63 0A 95 47,-1.8 49,-2.3 -2,-0.3 2,-0.2 -0.782 23.4-132.3 -95.6 116.5 24.5 13.6 21.4 16 13 A V E +a 64 0A 102 -2,-0.6 2,-0.2 47,-0.2 49,-0.2 -0.470 45.1 142.9 -67.1 131.2 23.4 11.1 18.7 17 14 A T - 0 0 30 47,-2.6 49,-0.5 -2,-0.2 2,-0.2 -0.832 40.5-104.1-152.4-170.6 24.0 7.5 19.7 18 15 A T >> - 0 0 46 -2,-0.2 4,-1.0 47,-0.1 3,-0.9 -0.752 34.3-102.5-123.2 168.7 22.4 4.0 19.5 19 16 A V H 3> S+ 0 0 5 1,-0.3 4,-2.2 -2,-0.2 5,-0.2 0.779 117.8 67.0 -61.9 -26.4 20.5 1.6 21.8 20 17 A V H 3> S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.878 97.2 53.4 -61.2 -39.4 23.8 -0.3 22.2 21 18 A R H <> S+ 0 0 50 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.835 107.1 51.8 -64.0 -34.0 25.2 2.7 24.1 22 19 A A H X S+ 0 0 0 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.906 108.5 50.3 -67.4 -42.3 22.2 2.7 26.4 23 20 A Q H X S+ 0 0 35 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.887 107.5 54.4 -61.9 -37.4 22.8 -1.0 27.1 24 21 A E H X S+ 0 0 64 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.927 106.9 51.4 -60.4 -44.3 26.5 -0.1 27.9 25 22 A A H <>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 4,-0.5 0.920 111.7 47.2 -60.4 -42.3 25.3 2.4 30.4 26 23 A L H ><5S+ 0 0 14 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.979 115.4 44.4 -58.3 -55.2 23.1 -0.2 32.0 27 24 A D H 3<5S+ 0 0 119 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.809 115.9 45.8 -63.8 -35.3 25.9 -2.8 32.1 28 25 A K T 3<5S- 0 0 144 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.402 109.5-119.1 -89.4 3.9 28.5 -0.5 33.4 29 26 A K T < 5 + 0 0 143 -3,-1.4 67,-0.3 -4,-0.5 -3,-0.2 0.902 61.9 153.3 55.0 44.0 26.3 1.1 36.1 30 27 A E < - 0 0 58 -5,-2.5 2,-0.5 -6,-0.2 67,-0.5 -0.444 47.4-121.5 -88.5 164.5 26.6 4.5 34.5 31 28 A T + 0 0 85 64,-0.2 2,-0.3 -2,-0.1 64,-0.2 -0.985 48.1 147.0-107.8 126.9 24.1 7.3 34.7 32 29 A A E -B 94 0A 7 62,-2.2 62,-2.8 -2,-0.5 2,-0.4 -0.982 33.2-146.4-158.5 149.6 22.9 8.4 31.3 33 30 A T E -B 93 0A 8 28,-0.4 30,-2.7 -2,-0.3 2,-0.4 -0.964 14.4-167.4-128.0 137.3 19.7 9.8 29.8 34 31 A F E -Bc 92 63A 1 58,-2.9 58,-2.8 -2,-0.4 2,-0.6 -0.985 16.3-154.3-132.1 131.1 18.3 9.1 26.3 35 32 A F E -Bc 91 64A 0 28,-3.0 30,-2.8 -2,-0.4 2,-0.5 -0.916 19.4-167.5 -98.4 118.1 15.6 10.7 24.2 36 33 A I E +Bc 90 65A 1 54,-2.6 54,-2.5 -2,-0.6 2,-0.3 -0.941 34.9 99.1-110.5 121.3 14.4 8.0 21.7 37 34 A G E - c 0 66A 0 28,-2.1 30,-2.6 -2,-0.5 31,-0.4 -0.966 59.1 -95.0-178.5-173.6 12.2 9.3 18.9 38 35 A R > - 0 0 84 -2,-0.3 3,-1.8 28,-0.2 6,-0.2 -0.993 15.7-136.7-135.2 139.8 11.8 10.5 15.3 39 36 A K T 3 S+ 0 0 79 -2,-0.4 -32,-0.1 1,-0.3 6,-0.1 0.791 104.2 65.0 -61.3 -29.8 11.8 13.9 13.6 40 37 A T T 3 S+ 0 0 43 4,-0.1 -1,-0.3 -36,-0.0 -36,-0.1 0.535 85.4 84.6 -74.1 -6.4 8.8 12.8 11.5 41 38 A C <> - 0 0 6 -3,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.854 67.2-150.2-102.6 123.3 6.5 12.6 14.6 42 39 A P H > S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.817 100.1 52.7 -60.0 -27.8 4.7 15.7 15.8 43 40 A Y H > S+ 0 0 146 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.908 108.6 49.0 -77.8 -38.1 4.7 14.4 19.4 44 41 A C H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.885 111.4 52.0 -60.4 -39.9 8.4 13.7 19.2 45 42 A R H X S+ 0 0 53 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.895 108.5 49.0 -65.7 -39.8 8.8 17.3 17.9 46 43 A K H X S+ 0 0 112 -4,-2.0 4,-1.7 2,-0.2 3,-0.2 0.950 113.7 46.8 -62.6 -47.6 6.7 18.8 20.8 47 44 A F H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.915 108.1 55.7 -60.8 -42.8 8.8 16.8 23.3 48 45 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.839 103.9 55.5 -61.7 -34.0 12.1 17.9 21.6 49 46 A G H X S+ 0 0 32 -4,-1.7 4,-1.7 -3,-0.2 -1,-0.2 0.942 111.0 43.4 -60.7 -47.8 11.1 21.6 22.0 50 47 A T H X S+ 0 0 43 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.942 115.5 48.4 -63.8 -45.4 10.6 21.1 25.7 51 48 A L H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.880 105.0 59.6 -63.0 -40.9 13.8 19.1 26.1 52 49 A S H X S+ 0 0 31 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.933 106.1 47.9 -53.0 -46.3 15.8 21.7 24.0 53 50 A G H X S+ 0 0 40 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.910 110.3 51.3 -64.5 -42.0 14.9 24.4 26.6 54 51 A V H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 6,-0.3 0.920 110.9 48.7 -58.8 -45.1 15.9 22.1 29.5 55 52 A V H X S+ 0 0 10 -4,-2.8 4,-2.2 1,-0.2 5,-0.4 0.918 112.3 48.2 -63.5 -42.9 19.3 21.4 27.8 56 53 A A H < S+ 0 0 59 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.907 115.1 45.8 -63.4 -41.6 19.9 25.1 27.2 57 54 A E H < S+ 0 0 113 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.915 125.8 28.0 -65.9 -43.9 19.0 26.0 30.7 58 55 A T H < S- 0 0 47 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.577 91.4-132.7 -96.7 -16.2 21.0 23.3 32.5 59 56 A K < + 0 0 166 -4,-2.2 -3,-0.1 -5,-0.3 -4,-0.1 0.811 50.0 169.4 57.3 32.2 23.8 22.7 30.0 60 57 A A - 0 0 21 -5,-0.4 2,-0.7 -6,-0.3 -1,-0.2 -0.303 38.4-125.5 -71.7 156.1 23.0 18.9 30.4 61 58 A H + 0 0 104 -3,-0.1 2,-0.4 -47,-0.1 -28,-0.4 -0.928 40.1 163.8-102.9 110.3 24.4 16.1 28.4 62 59 A I - 0 0 1 -2,-0.7 -47,-1.8 -49,-0.4 -28,-0.2 -0.985 28.2-129.5-132.2 141.8 21.6 14.0 27.0 63 60 A Y E -ac 15 34A 17 -30,-2.7 -28,-3.0 -2,-0.4 2,-0.4 -0.528 9.3-147.3 -90.7 154.9 21.6 11.5 24.2 64 61 A F E -ac 16 35A 11 -49,-2.3 -47,-2.6 -30,-0.2 2,-0.5 -0.987 7.9-168.8-120.7 130.5 19.4 11.2 21.1 65 62 A I E - c 0 36A 4 -30,-2.8 -28,-2.1 -2,-0.4 2,-0.7 -0.989 21.5-135.6-117.8 118.2 18.5 7.8 19.6 66 63 A N E > - c 0 37A 35 -2,-0.5 3,-1.6 -49,-0.5 -28,-0.2 -0.666 10.5-155.3 -75.0 111.1 16.8 8.1 16.2 67 64 A S T 3 S+ 0 0 13 -30,-2.6 -29,-0.2 -2,-0.7 -1,-0.2 0.512 91.3 41.4 -72.7 -3.9 13.9 5.6 16.4 68 65 A E T 3 S+ 0 0 89 -31,-0.4 -1,-0.3 8,-0.0 5,-0.1 0.063 71.8 144.1-128.9 30.4 13.9 5.1 12.6 69 66 A E X - 0 0 80 -3,-1.6 3,-1.9 1,-0.1 4,-0.2 -0.570 47.6-140.7 -64.2 115.6 17.6 5.0 11.7 70 67 A P G > S+ 0 0 107 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.879 98.0 51.8 -47.3 -48.5 17.7 2.5 8.8 71 68 A S G 3 S+ 0 0 95 1,-0.3 4,-0.1 2,-0.1 3,-0.1 0.577 109.6 52.7 -67.3 -12.1 20.9 0.8 9.9 72 69 A Q G <> S+ 0 0 40 -3,-1.9 4,-3.1 1,-0.1 5,-0.3 0.285 71.4 122.2-107.4 8.3 19.5 0.3 13.4 73 70 A L H <> S+ 0 0 127 -3,-1.5 4,-2.1 1,-0.2 5,-0.1 0.855 79.8 31.2 -45.7 -59.6 16.2 -1.4 12.6 74 71 A N H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.881 118.1 54.3 -77.7 -28.5 16.5 -4.7 14.5 75 72 A D H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.934 112.5 46.5 -62.4 -41.2 18.6 -3.3 17.4 76 73 A L H X S+ 0 0 8 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.932 112.0 50.0 -64.8 -45.9 15.9 -0.6 17.9 77 74 A Q H X S+ 0 0 98 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.927 112.9 46.4 -55.5 -48.7 13.2 -3.2 17.7 78 75 A A H X S+ 0 0 45 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.926 114.3 46.1 -63.1 -46.7 14.8 -5.5 20.2 79 76 A F H X S+ 0 0 14 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.919 113.9 48.2 -64.0 -44.1 15.6 -2.7 22.7 80 77 A R H X>S+ 0 0 54 -4,-2.6 5,-2.8 -5,-0.2 4,-0.7 0.875 115.5 45.3 -67.1 -36.1 12.1 -1.1 22.5 81 78 A S H <5S+ 0 0 79 -4,-2.2 3,-0.4 -5,-0.3 -2,-0.2 0.939 114.8 47.1 -68.6 -49.2 10.5 -4.5 22.9 82 79 A R H <5S+ 0 0 174 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.887 121.5 35.4 -60.9 -42.3 12.8 -5.5 25.9 83 80 A Y H <5S- 0 0 42 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.406 112.8-109.7-102.9 4.7 12.4 -2.2 27.7 84 81 A G T <5 + 0 0 45 -4,-0.7 -3,-0.2 -3,-0.4 3,-0.1 0.953 64.6 142.9 73.2 57.6 8.8 -1.5 26.9 85 82 A I < + 0 0 0 -5,-2.8 -1,-0.1 1,-0.1 -4,-0.1 -0.605 7.9 155.6-123.5 67.1 8.9 1.5 24.6 86 83 A P + 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.705 65.7 33.3 -76.4 -14.7 6.1 0.8 22.2 87 84 A T S S- 0 0 83 -3,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.911 87.0 -98.8-129.9 158.5 5.5 4.4 21.2 88 85 A V S S+ 0 0 22 -2,-0.3 -44,-0.2 15,-0.1 2,-0.2 -0.917 87.6 65.2-116.4 152.5 7.8 7.4 20.8 89 86 A P + 0 0 7 0, 0.0 2,-0.4 0, 0.0 -52,-0.2 0.356 69.9 173.4 -68.9 147.8 8.7 9.8 22.1 90 87 A G E -B 36 0A 0 -54,-2.5 -54,-2.6 13,-0.2 2,-0.5 -0.973 18.9-160.4-122.5 143.0 10.4 7.8 24.8 91 88 A F E -BD 35 102A 1 11,-2.5 11,-2.2 -2,-0.4 2,-0.5 -0.997 12.8-166.9-125.1 126.1 12.6 9.3 27.5 92 89 A V E -BD 34 101A 3 -58,-2.8 -58,-2.9 -2,-0.5 2,-0.5 -0.956 9.7-170.6-125.5 121.1 14.9 6.8 29.2 93 90 A H E -BD 33 100A 18 7,-2.5 7,-1.9 -2,-0.5 2,-0.4 -0.969 7.8-172.0-116.3 121.8 16.9 7.4 32.4 94 91 A I E +BD 32 99A 0 -62,-2.8 -62,-2.2 -2,-0.5 2,-0.3 -0.935 16.8 150.1-114.2 129.0 19.5 4.8 33.3 95 92 A T E > + D 0 98A 37 3,-1.8 3,-2.3 -2,-0.4 -64,-0.2 -0.954 63.0 1.2-160.0 141.3 21.3 4.9 36.6 96 93 A D T 3 S- 0 0 117 -67,-0.3 3,-0.1 -2,-0.3 -65,-0.1 0.806 129.3 -53.2 48.1 43.1 22.9 2.2 39.0 97 94 A G T 3 S+ 0 0 37 -67,-0.5 2,-0.3 -72,-0.3 -1,-0.3 0.552 115.4 110.1 72.2 8.0 22.0 -0.6 36.6 98 95 A Q E < -D 95 0A 92 -3,-2.3 -3,-1.8 2,-0.0 2,-0.4 -0.810 54.4-145.2-109.6 164.0 18.3 0.3 36.3 99 96 A I E -D 94 0A 44 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.965 8.2-169.1-128.8 138.4 16.2 1.7 33.6 100 97 A N E -D 93 0A 53 -7,-1.9 -7,-2.5 -2,-0.4 2,-0.4 -0.996 10.6-168.4-125.5 128.9 13.3 4.1 33.8 101 98 A V E +D 92 0A 48 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.976 10.2 179.3-124.9 135.5 11.1 4.8 30.7 102 99 A R E -D 91 0A 98 -11,-2.2 -11,-2.5 -2,-0.4 2,-0.6 -0.995 9.5-169.7-135.2 126.6 8.4 7.4 30.1 103 100 A C + 0 0 51 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.859 44.3 120.6-113.0 88.8 6.5 7.7 26.9 104 101 A D > - 0 0 58 -2,-0.6 3,-1.6 -15,-0.1 -14,-0.1 -0.774 44.2-164.1-160.9 100.4 4.7 11.1 27.3 105 102 A S T 3 S+ 0 0 24 1,-0.3 -1,-0.1 -2,-0.3 -15,-0.1 0.638 86.9 66.1 -63.3 -18.2 5.2 14.0 24.9 106 103 A S T 3 + 0 0 63 -56,-0.0 -1,-0.3 2,-0.0 -63,-0.0 0.374 65.2 137.9 -87.2 1.7 3.7 16.4 27.3 107 104 A X < - 0 0 1 -3,-1.6 -57,-0.1 1,-0.1 -56,-0.0 -0.270 49.9-131.5 -55.4 130.8 6.4 16.2 30.0 108 105 A S > - 0 0 60 1,-0.1 4,-2.7 -58,-0.0 5,-0.2 -0.252 23.3-100.9 -74.8 169.4 7.1 19.7 31.4 109 106 A A H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.915 125.3 47.4 -56.6 -46.0 10.6 21.2 31.8 110 107 A Q H > S+ 0 0 98 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.908 110.6 51.0 -66.0 -41.5 10.5 20.5 35.5 111 108 A E H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.916 110.9 49.5 -60.1 -43.5 9.3 16.9 35.0 112 109 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 6,-0.2 0.936 112.2 47.6 -59.1 -48.2 12.1 16.3 32.5 113 110 A K H X>S+ 0 0 32 -4,-2.5 5,-2.4 -5,-0.2 4,-0.6 0.947 112.9 49.1 -60.9 -46.0 14.7 17.7 35.0 114 111 A D H ><5S+ 0 0 108 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.933 112.8 47.5 -55.4 -49.2 13.2 15.6 37.8 115 112 A F H 3<5S+ 0 0 25 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.858 115.9 43.3 -64.5 -36.0 13.3 12.4 35.6 116 113 A A H 3<5S- 0 0 7 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.343 111.2-116.6 -95.2 3.8 16.9 13.0 34.4 117 114 A G T <<5 0 0 64 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.809 360.0 360.0 66.6 31.1 18.2 14.0 37.9 118 115 A L < 0 0 101 -5,-2.4 -4,-0.2 -6,-0.2 -5,-0.1 0.643 360.0 360.0 -91.2 360.0 19.1 17.5 36.8