==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 22-OCT-08 3EZJ . COMPND 2 MOLECULE: GENERAL SECRETION PATHWAY PROTEIN GSPD; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.V KOROTKOV,E.PARDON,J.STEYAERT,W.G.HOL . 1271 20 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 914 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 388 30.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 62 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.3 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 0 3 1 4 4 2 5 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 5 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 0 0 PARALLEL BRIDGES PER LADDER . 4 4 10 12 8 20 4 4 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 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 A 0 0 125 0, 0.0 44,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 119.8 67.2 -22.7 16.2 2 4 A T - 0 0 100 42,-0.2 2,-0.3 43,-0.1 42,-0.2 -0.920 360.0-155.0-127.3 149.9 64.6 -25.5 16.9 3 5 A F B -A 43 0A 40 40,-3.5 40,-2.5 -2,-0.3 2,-0.3 -0.786 1.9-156.5-121.8 158.3 62.8 -26.8 20.0 4 6 A T - 0 0 88 -2,-0.3 2,-0.3 38,-0.2 36,-0.0 -0.881 1.7-158.2-129.4 158.0 61.2 -30.0 21.1 5 7 A A + 0 0 2 -2,-0.3 34,-2.2 78,-0.1 2,-0.4 -0.918 18.0 162.3-140.5 116.9 58.5 -31.0 23.6 6 8 A N E +B 38 0B 96 -2,-0.3 2,-0.4 32,-0.2 32,-0.2 -0.817 18.6 153.5-131.9 97.1 58.1 -34.5 25.1 7 9 A F E -B 37 0B 32 30,-2.6 30,-2.0 -2,-0.4 2,-0.4 -0.960 22.6-172.6-127.5 142.9 56.0 -34.4 28.2 8 10 A K E S- 0 0 174 -2,-0.4 28,-0.2 28,-0.2 -2,-0.0 -0.908 80.3 -26.8-139.4 104.7 53.8 -37.1 29.8 9 11 A D E S+ 0 0 134 -2,-0.4 2,-0.4 1,-0.2 27,-0.2 0.932 87.4 173.2 48.6 51.9 51.6 -36.1 32.8 10 12 A T E -B 35 0B 34 25,-2.7 25,-1.0 1,-0.1 -1,-0.2 -0.772 41.9-101.9 -89.2 131.7 54.1 -33.3 33.6 11 13 A D E > -B 34 0B 60 -2,-0.4 4,-2.0 23,-0.2 3,-0.4 -0.286 29.8-126.2 -54.1 128.3 52.9 -30.9 36.3 12 14 A L H > S+ 0 0 0 21,-2.8 4,-2.4 1,-0.3 5,-0.2 0.828 108.6 54.2 -50.5 -40.9 51.6 -27.7 34.6 13 15 A K H > S+ 0 0 37 20,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.950 107.7 49.0 -57.9 -53.0 53.9 -25.5 36.7 14 16 A S H > S+ 0 0 41 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.872 110.0 52.7 -55.2 -41.2 57.0 -27.5 35.7 15 17 A F H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.961 110.4 46.8 -58.9 -50.2 56.0 -27.3 32.0 16 18 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.893 112.8 48.8 -62.2 -42.9 55.6 -23.4 32.2 17 19 A E H X S+ 0 0 92 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.909 111.9 50.0 -61.4 -42.4 58.9 -23.0 34.0 18 20 A T H X S+ 0 0 57 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.937 113.0 45.2 -63.4 -48.4 60.6 -25.2 31.4 19 21 A V H X S+ 0 0 2 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.842 111.0 53.8 -64.9 -37.5 59.2 -23.3 28.5 20 22 A G H X>S+ 0 0 3 -4,-2.3 5,-2.6 -5,-0.2 4,-0.9 0.905 109.0 47.5 -65.1 -43.6 60.0 -19.9 30.0 21 23 A A H <5S+ 0 0 75 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.873 112.9 50.2 -63.4 -39.1 63.7 -20.8 30.5 22 24 A N H <5S+ 0 0 70 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.842 117.2 40.2 -65.2 -35.2 63.8 -22.1 26.9 23 25 A L H <5S- 0 0 7 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.455 109.2-120.4 -93.4 -3.8 62.2 -18.9 25.6 24 26 A N T <5 + 0 0 129 -4,-0.9 2,-0.4 -3,-0.3 -3,-0.2 0.866 68.0 135.1 61.1 40.4 64.1 -16.5 27.9 25 27 A K < - 0 0 63 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.3 -0.910 57.1-125.8-114.5 143.1 60.9 -15.1 29.5 26 28 A T E -y 70 0C 69 43,-1.9 45,-2.6 -2,-0.4 2,-0.5 -0.705 28.1-147.5 -79.6 142.1 60.2 -14.6 33.1 27 29 A I E -y 71 0C 35 -2,-0.3 2,-0.4 43,-0.2 45,-0.2 -0.965 15.1-173.6-117.2 129.3 57.1 -16.4 34.2 28 30 A I E y 72 0C 24 43,-2.1 45,-3.1 -2,-0.5 1217,-0.1 -0.988 360.0 360.0-116.6 130.1 54.7 -15.1 36.9 29 31 A M 0 0 69 -2,-0.4 1216,-0.1 1216,-0.3 43,-0.1 -0.378 360.0 360.0-115.1 360.0 51.8 -17.4 38.1 30 ! 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 31 35 A V 0 0 40 0, 0.0 2,-0.3 0, 0.0 -18,-0.1 0.000 360.0 360.0 360.0 110.0 47.4 -22.6 38.4 32 36 A Q + 0 0 135 27,-0.2 2,-0.3 -20,-0.1 -21,-0.0 -0.984 360.0 86.9-152.8 149.8 47.1 -26.4 38.6 33 37 A G - 0 0 19 -2,-0.3 -21,-2.8 2,-0.0 -20,-0.3 -0.863 56.6 -89.3 147.9 179.8 47.0 -29.3 36.1 34 38 A A E -B 11 0B 46 -2,-0.3 2,-0.3 -23,-0.3 -23,-0.2 -0.782 28.2-155.5-120.6 167.4 48.9 -31.8 34.0 35 39 A V E -B 10 0B 7 -25,-1.0 -25,-2.7 -2,-0.3 2,-0.4 -0.986 10.8-180.0-149.8 132.6 50.3 -31.6 30.5 36 40 A S E + 0 0 46 -2,-0.3 2,-0.3 -28,-0.2 -28,-0.2 -0.997 18.2 147.1-129.5 137.0 51.2 -34.2 27.8 37 41 A I E -B 7 0B 4 -30,-2.0 -30,-2.6 -2,-0.4 2,-0.4 -0.863 25.0-162.3-167.7 137.0 52.5 -33.4 24.4 38 42 A R E -Bc 6 82B 83 43,-1.3 45,-1.9 -2,-0.3 2,-0.7 -0.993 21.3-135.3-121.4 124.8 54.9 -34.9 21.9 39 43 A T E - c 0 83B 14 -34,-2.2 45,-0.2 -2,-0.4 -34,-0.1 -0.708 14.9-170.6 -80.2 115.3 56.4 -32.8 19.1 40 44 A M S S+ 0 0 76 43,-3.0 44,-0.2 -2,-0.7 -1,-0.2 0.749 77.5 24.5 -75.4 -29.6 56.2 -34.8 15.9 41 45 A T S S- 0 0 44 42,-0.5 2,-0.1 -3,-0.1 -1,-0.1 -0.932 98.4 -93.7-127.7 156.9 58.4 -32.3 14.1 42 46 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -38,-0.2 -0.487 43.7-145.2 -66.5 143.3 61.0 -29.8 15.4 43 47 A L B -A 3 0A 0 -40,-2.5 -40,-3.5 -2,-0.1 2,-0.1 -0.844 2.7-133.5-111.8 145.5 59.4 -26.4 16.1 44 48 A N > - 0 0 62 -2,-0.3 4,-3.2 -42,-0.2 5,-0.2 -0.381 43.2 -89.4 -84.8 176.5 61.0 -22.9 15.7 45 49 A E H > S+ 0 0 99 -44,-0.5 4,-2.6 1,-0.2 5,-0.2 0.852 127.4 50.2 -60.6 -39.5 60.6 -20.3 18.5 46 50 A R H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 115.4 44.0 -61.4 -43.8 57.4 -18.9 17.2 47 51 A Q H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.909 113.2 50.4 -69.9 -43.9 55.9 -22.4 16.9 48 52 A Y H X S+ 0 0 4 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.949 112.9 46.5 -56.2 -51.6 57.2 -23.5 20.3 49 53 A Y H X S+ 0 0 29 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.906 111.2 52.9 -59.9 -41.3 55.7 -20.3 21.9 50 54 A Q H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.855 106.7 52.3 -61.8 -37.3 52.5 -21.0 20.1 51 55 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.973 106.7 53.9 -60.4 -53.8 52.3 -24.5 21.4 52 56 A F H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.887 109.6 46.9 -45.2 -49.8 52.8 -23.2 24.9 53 57 A L H X S+ 0 0 20 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.909 111.2 52.9 -61.9 -41.7 49.8 -20.8 24.5 54 58 A N H X S+ 0 0 8 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.892 110.5 45.3 -63.7 -42.0 47.7 -23.6 23.0 55 59 A L H X S+ 0 0 7 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.862 113.7 50.0 -72.7 -34.7 48.3 -26.0 26.0 56 60 A L H <>S+ 0 0 1 -4,-2.1 5,-3.0 -5,-0.3 4,-0.5 0.898 109.2 51.8 -66.1 -41.1 47.7 -23.2 28.5 57 61 A E H ><5S+ 0 0 51 -4,-2.5 3,-0.9 3,-0.2 -2,-0.2 0.881 106.6 54.1 -62.4 -39.8 44.4 -22.3 26.8 58 62 A A H 3<5S+ 0 0 68 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.860 108.1 49.4 -63.0 -37.9 43.2 -25.9 26.9 59 63 A Q T 3<5S- 0 0 84 -4,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.500 127.5 -98.6 -81.4 -5.8 43.8 -26.0 30.7 60 64 A G T < 5S+ 0 0 30 -3,-0.9 16,-2.5 -4,-0.5 2,-0.3 0.694 84.1 117.6 97.8 24.9 41.9 -22.8 31.1 61 65 A Y E < -Z 75 0C 37 -5,-3.0 -1,-0.3 14,-0.3 2,-0.3 -0.845 40.5-164.4-124.3 157.9 44.7 -20.3 31.3 62 66 A A E -Z 74 0C 35 12,-3.7 12,-3.1 -2,-0.3 2,-0.3 -0.943 16.9-122.9-138.7 160.6 45.9 -17.3 29.3 63 67 A V E -Z 73 0C 9 -2,-0.3 10,-0.2 10,-0.2 241,-0.1 -0.790 10.7-162.6-107.4 144.2 49.1 -15.2 29.0 64 68 A V E -Z 72 0C 35 8,-2.0 8,-2.5 -2,-0.3 2,-0.2 -0.948 16.6-145.2-123.6 109.5 49.6 -11.5 29.5 65 69 A P E +Z 71 0C 14 0, 0.0 729,-2.8 0, 0.0 2,-0.2 -0.577 32.1 169.8 -76.5 139.9 52.9 -10.1 28.0 66 70 A M E > -Z 70 0C 48 4,-2.5 4,-1.1 -2,-0.2 3,-0.3 -0.739 33.5 -26.4-143.4 176.7 54.3 -7.3 30.1 67 71 A E T 4 S- 0 0 91 727,-0.4 -1,-0.2 -2,-0.2 726,-0.0 -0.008 114.9 -3.5 -33.3 115.8 57.2 -5.0 30.9 68 72 A N T 4 S- 0 0 127 1,-0.1 -1,-0.2 -3,-0.1 -42,-0.2 0.944 129.9 -42.0 69.5 61.3 60.6 -6.4 29.9 69 73 A D T 4 S+ 0 0 89 -3,-0.3 -43,-1.9 1,-0.2 2,-0.4 0.963 96.6 142.5 53.4 61.5 60.2 -9.9 28.5 70 74 A V E < -yZ 26 66C 27 -4,-1.1 -4,-2.5 -45,-0.2 2,-0.5 -0.993 35.6-161.3-135.2 139.9 57.7 -11.1 31.2 71 75 A L E -yZ 27 65C 6 -45,-2.6 -43,-2.1 -2,-0.4 2,-0.6 -0.959 4.8-159.1-126.4 113.9 54.7 -13.4 30.9 72 76 A K E -yZ 28 64C 59 -8,-2.5 -8,-2.0 -2,-0.5 2,-0.5 -0.816 12.5-147.0 -90.6 121.5 51.9 -13.4 33.5 73 77 A V E + Z 0 63C 6 -45,-3.1 2,-0.3 -2,-0.6 -10,-0.2 -0.774 28.4 166.0 -87.6 128.8 49.8 -16.6 33.5 74 78 A V E - Z 0 62C 52 -12,-3.1 -12,-3.7 -2,-0.5 2,-0.0 -0.934 39.9 -84.1-141.0 163.3 46.1 -16.1 34.5 75 79 A K E Z 0 61C 109 -2,-0.3 -14,-0.3 -14,-0.3 -15,-0.1 -0.327 360.0 360.0 -65.8 148.3 42.7 -17.9 34.4 76 80 A S 0 0 59 -16,-2.5 -1,-0.1 -19,-0.1 -15,-0.1 0.668 360.0 360.0-110.6 360.0 40.7 -17.6 31.2 77 ! 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 78 100 A G 0 0 71 0, 0.0 50,-2.1 0, 0.0 51,-0.4 0.000 360.0 360.0 360.0 -36.4 45.0 -42.0 18.6 79 101 A D + 0 0 132 47,-0.2 2,-0.1 48,-0.2 3,-0.0 0.450 360.0 126.5 -88.8 -6.9 44.3 -39.9 21.7 80 102 A E - 0 0 81 46,-0.1 47,-1.8 1,-0.1 2,-0.5 -0.336 65.8-123.4 -60.3 127.5 47.9 -39.0 22.1 81 103 A M E + D 0 126B 53 45,-0.2 -43,-1.3 46,-0.1 2,-0.3 -0.629 46.9 162.5 -73.5 120.7 48.4 -35.2 22.3 82 104 A V E -cD 38 125B 0 43,-3.1 43,-2.5 -2,-0.5 2,-0.3 -0.919 29.9-147.8-135.3 159.2 50.8 -34.3 19.6 83 105 A T E +cD 39 124B 0 -45,-1.9 -43,-3.0 -2,-0.3 -42,-0.5 -0.969 18.0 174.9-127.1 153.8 51.9 -31.2 17.6 84 106 A K E - D 0 123B 44 39,-2.1 39,-3.2 -2,-0.3 2,-0.5 -0.989 23.4-143.0-154.2 143.6 53.1 -31.0 14.0 85 107 A V E - D 0 122B 20 -2,-0.3 37,-0.2 37,-0.2 -2,-0.0 -0.967 17.2-164.4-116.0 115.9 54.1 -28.3 11.5 86 108 A V E - D 0 121B 6 35,-3.1 35,-2.3 -2,-0.5 2,-0.1 -0.875 10.0-146.7-101.9 109.4 53.0 -29.0 8.0 87 109 A P E - D 0 120B 93 0, 0.0 2,-0.4 0, 0.0 33,-0.2 -0.472 9.5-148.5 -69.6 150.3 54.7 -26.9 5.3 88 110 A V + 0 0 4 31,-1.5 5,-0.1 1,-0.1 50,-0.0 -0.994 17.1 178.5-126.2 126.3 52.5 -25.9 2.3 89 111 A R + 0 0 122 -2,-0.4 673,-0.2 1,-0.1 -1,-0.1 0.773 69.9 26.3-104.6 -31.5 54.2 -25.5 -1.0 90 112 A N S S+ 0 0 16 671,-0.1 2,-0.3 670,-0.1 -1,-0.1 0.444 110.7 49.8-117.6 -4.4 51.7 -24.7 -3.8 91 113 A V S S- 0 0 18 670,-0.1 2,-0.2 28,-0.1 -1,-0.1 -0.964 82.7 -98.6-146.4 149.8 48.7 -23.0 -2.2 92 114 A S > - 0 0 52 -2,-0.3 3,-1.4 1,-0.1 4,-0.5 -0.524 31.8-135.3 -72.0 133.8 47.9 -20.1 0.2 93 115 A V G >> S+ 0 0 8 1,-0.3 3,-1.3 -2,-0.2 4,-0.5 0.841 100.4 60.4 -64.2 -33.7 47.2 -21.5 3.7 94 116 A R G 34 S+ 0 0 72 1,-0.3 -1,-0.3 2,-0.2 -2,-0.0 0.634 91.2 70.3 -70.9 -12.8 44.1 -19.4 4.4 95 117 A E G <4 S+ 0 0 132 -3,-1.4 4,-0.3 1,-0.2 -1,-0.3 0.808 100.2 47.8 -68.1 -30.2 42.4 -21.1 1.4 96 118 A L T <> S+ 0 0 2 -3,-1.3 4,-2.5 -4,-0.5 3,-0.5 0.681 88.2 93.1 -78.3 -19.2 42.3 -24.2 3.5 97 119 A A H X S+ 0 0 0 -4,-0.5 4,-2.6 1,-0.2 5,-0.2 0.862 80.4 50.8 -50.0 -54.3 40.9 -22.4 6.5 98 120 A P H > S+ 0 0 12 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.913 116.3 41.1 -52.3 -45.4 37.2 -23.0 5.8 99 121 A I H > S+ 0 0 19 -3,-0.5 4,-2.3 -4,-0.3 -2,-0.2 0.842 112.2 54.1 -76.3 -30.5 37.6 -26.8 5.3 100 122 A L H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.876 109.4 50.5 -64.6 -35.3 40.0 -27.1 8.2 101 123 A R H X S+ 0 0 5 -4,-2.6 4,-1.3 -5,-0.3 -2,-0.2 0.905 108.7 50.9 -64.9 -42.1 37.4 -25.4 10.4 102 124 A Q H X S+ 0 0 43 -4,-1.8 4,-0.7 -5,-0.2 3,-0.4 0.924 108.1 53.7 -58.5 -45.7 34.8 -27.9 9.1 103 125 A M H >X S+ 0 0 45 -4,-2.3 4,-1.4 1,-0.2 3,-0.9 0.886 106.8 50.9 -56.7 -43.1 37.1 -30.8 10.0 104 126 A I H 3X S+ 0 0 22 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.778 98.0 65.6 -72.5 -25.2 37.5 -29.5 13.6 105 127 A D H 3< S+ 0 0 76 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.673 109.0 40.5 -71.5 -18.2 33.7 -29.3 14.1 106 128 A S H << S+ 0 0 108 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.749 106.2 69.2 -87.5 -33.5 33.5 -33.0 13.8 107 129 A A H < S- 0 0 15 -4,-1.4 2,-0.2 1,-0.2 -2,-0.2 0.786 93.3-134.8 -56.0 -37.6 36.7 -33.6 15.8 108 130 A G < - 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