==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-FEB-11 3QPY . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR T.M.ALLISON,G.B.JAMESON,E.J.PARKER . 1000 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 731 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 147 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.8 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 71 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 2 2 0 2 2 4 6 2 2 0 0 2 3 2 5 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 15 8 4 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 PARALLEL BRIDGES PER LADDER . 0 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 0 0 0 4 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 1 A M 0 0 94 0, 0.0 11,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 122.8 16.3 36.2 52.0 2 2 A D - 0 0 95 9,-0.1 2,-0.4 189,-0.1 9,-0.2 -0.606 360.0-146.4 -89.4 154.9 12.6 36.0 51.0 3 3 A I E -A 10 0A 6 7,-3.0 7,-3.0 -2,-0.2 2,-0.6 -0.991 6.8-140.3-120.5 131.2 11.4 34.9 47.5 4 4 A K E -A 9 0A 128 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.755 16.6-177.9 -82.5 121.9 8.3 36.3 45.7 5 5 A I E > -A 8 0A 5 3,-2.8 3,-2.6 -2,-0.6 2,-0.1 -0.933 68.0 -63.7-116.4 97.7 6.3 33.6 44.0 6 6 A N T 3 S- 0 0 93 -2,-0.6 -1,-0.1 1,-0.3 81,-0.0 -0.357 119.9 -15.4 54.8-122.4 3.6 35.6 42.3 7 7 A D T 3 S+ 0 0 159 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.3 0.591 119.5 98.6 -82.7 -6.8 1.7 37.2 45.2 8 8 A I E < -A 5 0A 22 -3,-2.6 -3,-2.8 41,-0.1 2,-0.6 -0.613 61.8-149.3 -87.5 134.8 3.2 34.7 47.8 9 9 A T E -A 4 0A 58 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.903 14.6-165.6-102.3 113.1 6.1 35.7 50.0 10 10 A L E +A 3 0A 0 -7,-3.0 -7,-3.0 -2,-0.6 2,-0.3 -0.906 29.3 123.3-102.9 128.0 8.3 32.7 50.9 11 11 A G > - 0 0 0 -2,-0.5 3,-1.9 211,-0.3 -9,-0.1 -0.954 68.5-102.6-179.0 156.6 10.8 33.1 53.7 12 12 A N T 3 S+ 0 0 5 178,-0.4 4,-0.1 1,-0.3 -10,-0.1 0.596 121.3 39.9 -71.4 -7.5 12.1 31.7 57.0 13 13 A N T 3 S+ 0 0 83 2,-0.1 -1,-0.3 209,-0.0 209,-0.1 0.152 101.8 85.7-127.0 31.1 10.4 34.5 58.9 14 14 A S S < S- 0 0 14 -3,-1.9 -3,-0.1 1,-0.1 3,-0.1 -0.766 96.4 -71.9-119.1 165.8 7.1 34.7 56.9 15 15 A P - 0 0 83 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 -0.235 66.9 -95.1 -60.2 140.4 4.0 32.7 57.4 16 16 A F - 0 0 5 225,-0.1 2,-0.4 -6,-0.1 207,-0.3 -0.238 33.2-140.4 -65.0 145.9 4.6 29.1 56.2 17 17 A V E -b 223 0B 0 205,-1.9 207,-2.2 30,-0.1 2,-0.5 -0.881 11.6-136.5-103.7 130.9 3.6 28.1 52.7 18 18 A L E -bc 224 49B 0 30,-2.6 32,-2.6 -2,-0.4 2,-0.5 -0.787 15.1-167.0 -87.9 126.8 2.0 24.7 52.0 19 19 A F E +bc 225 50B 0 205,-3.0 207,-2.4 -2,-0.5 2,-0.3 -0.975 31.3 127.5-108.0 130.6 3.3 22.7 49.0 20 20 A G E + c 0 51B 2 30,-1.8 32,-1.8 -2,-0.5 2,-0.2 -0.949 4.5 117.0-173.2 162.0 1.1 19.7 48.1 21 21 A G E - c 0 52B 2 -2,-0.3 207,-0.4 30,-0.2 2,-0.3 -0.724 63.1 -32.6 173.2-119.2 -0.8 17.9 45.3 22 22 A I E - 0 0 33 30,-1.9 32,-0.4 -2,-0.2 3,-0.2 -0.916 40.2-124.6-132.4 159.5 -0.4 14.5 43.8 23 23 A N E S+ 0 0 105 -2,-0.3 31,-1.2 1,-0.3 2,-0.4 0.991 93.3 6.5 -67.3 -55.1 2.5 12.2 43.0 24 24 A V E S- c 0 54B 33 29,-0.2 -1,-0.3 31,-0.1 31,-0.2 -0.976 79.9-115.0-136.3 123.8 2.0 11.7 39.3 25 25 A L + 0 0 0 29,-3.1 44,-0.8 -2,-0.4 45,-0.2 -0.282 38.2 167.6 -53.6 130.4 -0.5 13.5 37.0 26 26 A E - 0 0 55 1,-0.4 2,-0.3 42,-0.1 -1,-0.2 0.713 60.5 -12.2-113.2 -42.1 -3.1 10.9 35.7 27 27 A S > - 0 0 50 1,-0.1 4,-1.9 47,-0.0 -1,-0.4 -0.987 59.7-112.7-159.2 158.3 -5.9 13.0 34.2 28 28 A L H > S+ 0 0 42 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.895 111.7 51.4 -62.6 -40.4 -7.1 16.6 34.1 29 29 A D H > S+ 0 0 109 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.888 111.9 42.4 -68.0 -45.0 -10.3 16.0 36.0 30 30 A S H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.844 112.9 55.4 -74.5 -30.7 -8.8 14.2 39.1 31 31 A T H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.953 108.5 47.4 -55.8 -54.3 -6.0 16.7 39.2 32 32 A L H X S+ 0 0 30 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.804 111.3 52.1 -61.0 -33.2 -8.5 19.6 39.4 33 33 A Q H X S+ 0 0 127 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.943 110.7 45.8 -67.0 -52.9 -10.4 17.8 42.1 34 34 A T H X S+ 0 0 41 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.895 115.0 48.5 -54.7 -46.0 -7.4 17.2 44.3 35 35 A C H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.908 106.6 55.5 -63.6 -44.5 -6.3 20.8 43.8 36 36 A A H X S+ 0 0 38 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.879 106.4 52.9 -52.2 -42.4 -9.7 22.1 44.6 37 37 A H H X S+ 0 0 75 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.923 111.1 44.4 -60.5 -49.2 -9.6 20.3 48.0 38 38 A Y H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.860 114.9 49.8 -61.8 -42.4 -6.2 21.8 48.9 39 39 A V H X S+ 0 0 36 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.931 111.0 48.9 -63.9 -45.2 -7.4 25.3 47.8 40 40 A E H X S+ 0 0 95 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.933 115.4 43.2 -59.4 -50.2 -10.6 25.0 49.8 41 41 A V H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.938 117.3 45.0 -64.8 -47.7 -8.9 23.9 53.0 42 42 A T H X>S+ 0 0 6 -4,-2.4 5,-2.6 2,-0.2 4,-1.1 0.872 111.2 52.5 -67.3 -37.4 -6.0 26.4 52.7 43 43 A R H ><5S+ 0 0 75 -4,-2.6 3,-0.8 -5,-0.2 -1,-0.2 0.968 111.0 47.2 -62.0 -47.1 -8.2 29.4 51.8 44 44 A K H 3<5S+ 0 0 120 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.860 117.2 43.0 -68.7 -25.0 -10.5 28.8 54.8 45 45 A L H 3<5S- 0 0 32 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.574 112.0-120.2 -90.8 -12.5 -7.4 28.4 57.1 46 46 A G T <<5 + 0 0 53 -4,-1.1 -3,-0.2 -3,-0.8 -4,-0.1 0.887 61.3 144.2 77.3 40.1 -5.6 31.4 55.6 47 47 A I < - 0 0 9 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.942 52.4-118.7-117.6 127.3 -2.5 29.5 54.4 48 48 A P - 0 0 44 0, 0.0 -30,-2.6 0, 0.0 2,-0.4 -0.296 37.2-158.3 -64.7 145.2 -0.6 30.3 51.2 49 49 A Y E -c 18 0B 10 -32,-0.2 2,-0.4 -30,-0.0 -30,-0.2 -0.986 22.0-171.8-138.7 132.1 -0.6 27.3 48.8 50 50 A I E -c 19 0B 0 -32,-2.6 -30,-1.8 -2,-0.4 2,-0.3 -0.992 25.5-134.0-122.6 124.3 1.4 26.0 45.9 51 51 A F E -cd 20 89B 0 37,-1.8 39,-2.2 -2,-0.4 2,-0.4 -0.603 24.1-166.7 -81.5 137.8 0.2 23.0 43.9 52 52 A K E +cd 21 90B 14 -32,-1.8 -30,-1.9 -2,-0.3 2,-0.3 -0.962 18.7 140.7-131.7 143.6 2.6 20.2 43.1 53 53 A A E - 0 0 0 37,-1.6 2,-0.4 -2,-0.4 39,-0.3 -0.971 40.3-115.9-164.7 159.7 2.7 17.3 40.9 54 54 A S E -c 24 0B 8 -31,-1.2 -29,-3.1 -32,-0.4 16,-0.1 -0.888 7.8-166.0-101.1 137.9 4.9 15.3 38.6 55 55 A F S S+ 0 0 0 -2,-0.4 15,-2.3 37,-0.3 2,-0.3 0.523 81.1 52.6 -89.5 2.7 4.2 15.0 34.8 56 56 A D - 0 0 16 13,-0.1 12,-0.2 12,-0.1 -31,-0.1 -0.771 63.9-152.8-137.9 153.9 6.7 12.2 34.8 57 57 A A > + 0 0 14 10,-0.8 3,-1.7 -2,-0.3 568,-0.1 -0.546 29.5 162.1-129.2 69.0 7.4 9.0 36.7 58 58 A A T 3 S+ 0 0 11 1,-0.3 567,-1.8 -2,-0.1 568,-0.5 0.806 76.8 39.7 -62.1 -28.4 11.2 8.8 36.2 59 59 A N T 3 S+ 0 0 62 565,-0.2 -1,-0.3 566,-0.1 565,-0.1 0.106 78.7 160.4-110.5 20.9 11.6 6.3 39.1 60 60 A R < - 0 0 26 -3,-1.7 565,-0.1 1,-0.1 5,-0.1 -0.132 43.2-128.9 -50.6 140.5 8.6 4.1 38.4 61 61 A S S S+ 0 0 102 3,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.714 86.6 38.9 -79.7 -25.7 9.1 0.7 40.1 62 62 A S S > S- 0 0 28 4,-0.1 3,-2.3 1,-0.1 595,-0.0 -0.965 76.6-129.1-121.5 145.0 8.4 -1.6 37.1 63 63 A I T 3 S+ 0 0 31 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.743 116.8 51.5 -63.0 -15.9 9.4 -1.0 33.5 64 64 A H T 3 S+ 0 0 152 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.443 88.3 118.4 -97.9 -1.7 5.7 -1.7 32.8 65 65 A S S < S- 0 0 37 -3,-2.3 -5,-0.1 1,-0.1 -8,-0.1 -0.157 80.7 -77.4 -63.0 159.0 4.5 0.9 35.4 66 66 A Y - 0 0 126 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.341 37.4-153.9 -63.4 135.9 2.4 3.9 34.4 67 67 A R - 0 0 109 1,-0.3 -10,-0.8 -3,-0.1 3,-0.2 0.575 34.9-116.1 -87.4 -17.7 4.6 6.6 32.8 68 68 A G - 0 0 12 -12,-0.2 -1,-0.3 1,-0.1 -12,-0.1 -0.299 41.0 -70.9 91.5 171.8 2.5 9.7 33.7 69 69 A V S > S- 0 0 36 -44,-0.8 4,-0.6 1,-0.1 -1,-0.1 0.668 77.3-132.3 -75.4 -17.7 0.8 11.9 31.1 70 70 A G H > - 0 0 21 -15,-2.3 4,-3.2 -3,-0.2 5,-0.2 0.010 29.4 -60.7 87.3 169.1 4.2 13.3 30.0 71 71 A L H > S+ 0 0 54 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.925 127.2 49.3 -53.1 -58.2 5.6 16.8 29.5 72 72 A E H > S+ 0 0 155 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.903 122.3 32.1 -57.6 -48.1 3.2 17.9 26.7 73 73 A E H X S+ 0 0 58 -4,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.875 116.2 59.4 -76.9 -38.0 -0.0 16.9 28.4 74 74 A G H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.930 105.0 49.3 -47.9 -51.3 1.4 17.6 31.9 75 75 A L H X S+ 0 0 20 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.848 107.4 55.3 -64.9 -33.7 2.1 21.3 30.9 76 76 A K H X S+ 0 0 82 -4,-1.1 4,-2.0 -5,-0.3 -1,-0.2 0.881 107.9 48.4 -62.0 -41.3 -1.5 21.6 29.6 77 77 A I H X S+ 0 0 1 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.903 109.8 51.4 -68.3 -39.9 -2.9 20.5 33.0 78 78 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.910 108.1 53.4 -63.9 -39.1 -0.6 22.9 34.9 79 79 A E H X S+ 0 0 103 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.935 111.7 45.4 -57.7 -43.3 -1.9 25.6 32.5 80 80 A K H X S+ 0 0 96 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.906 110.5 52.3 -70.0 -41.7 -5.5 24.7 33.5 81 81 A V H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.4 0.929 112.9 46.3 -56.3 -44.5 -4.7 24.4 37.2 82 82 A K H X S+ 0 0 68 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.897 113.9 46.7 -69.4 -40.6 -3.2 27.9 37.1 83 83 A A H < S+ 0 0 89 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.894 117.3 43.7 -70.3 -35.3 -6.1 29.4 35.1 84 84 A E H < S+ 0 0 126 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.927 130.3 20.1 -73.7 -47.3 -8.8 27.9 37.3 85 85 A F H < S- 0 0 44 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.582 87.9-134.4-104.2 -14.7 -7.3 28.5 40.7 86 86 A G < + 0 0 68 -4,-1.9 -4,-0.1 -5,-0.4 -3,-0.1 0.908 60.7 128.9 56.8 45.1 -4.9 31.4 40.2 87 87 A I - 0 0 25 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.876 61.5-104.9-123.1 158.1 -2.1 29.7 42.2 88 88 A P - 0 0 6 0, 0.0 -37,-1.8 0, 0.0 2,-0.3 -0.408 35.8-151.0 -74.8 160.9 1.6 29.0 41.5 89 89 A V E -d 51 0B 0 -39,-0.2 19,-2.3 16,-0.2 2,-0.4 -0.935 7.6-155.4-133.0 163.1 2.7 25.4 40.7 90 90 A I E +de 52 108B 0 -39,-2.2 -37,-1.6 -2,-0.3 2,-0.3 -0.992 15.3 165.9-141.1 137.5 5.8 23.3 41.2 91 91 A T E - e 0 109B 1 17,-1.6 19,-2.1 -2,-0.4 2,-0.2 -0.988 31.6-111.3-145.0 155.6 7.1 20.2 39.3 92 92 A D E - e 0 110B 23 -2,-0.3 2,-0.4 -39,-0.3 -37,-0.3 -0.614 20.0-155.5 -85.0 149.0 10.3 18.2 39.0 93 93 A V - 0 0 0 17,-1.8 32,-0.0 -2,-0.2 6,-0.0 -0.966 12.3-179.4-120.0 139.2 12.6 18.0 36.0 94 94 A H + 0 0 12 -2,-0.4 -1,-0.1 1,-0.2 27,-0.1 0.463 67.1 52.9-114.7 -10.1 14.9 15.1 35.4 95 95 A E S > S- 0 0 37 1,-0.1 3,-1.4 26,-0.1 4,-0.5 -0.998 74.8-130.4-133.7 138.3 16.6 16.1 32.1 96 96 A P G > S+ 0 0 35 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.853 107.6 57.2 -52.7 -44.2 18.4 19.4 31.1 97 97 A H G 3 S+ 0 0 143 1,-0.3 3,-0.3 2,-0.1 24,-0.0 0.801 100.3 60.5 -60.1 -26.6 16.4 19.7 27.8 98 98 A Q G <> S+ 0 0 19 -3,-1.4 4,-2.1 1,-0.2 -1,-0.3 0.678 86.1 81.4 -68.5 -21.0 13.1 19.7 29.9 99 99 A C H <> S+ 0 0 1 -3,-1.7 4,-2.5 -4,-0.5 -1,-0.2 0.884 88.3 43.5 -66.7 -48.1 14.0 22.8 31.9 100 100 A Q H > S+ 0 0 87 -4,-0.4 4,-1.3 -3,-0.3 -1,-0.2 0.919 116.2 46.0 -69.0 -40.2 13.1 25.7 29.7 101 101 A P H > S+ 0 0 51 0, 0.0 4,-0.6 0, 0.0 3,-0.4 0.935 115.4 47.0 -67.4 -42.6 9.8 24.4 28.4 102 102 A V H >X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 3,-1.6 0.932 109.6 54.4 -60.2 -42.5 8.7 23.4 31.9 103 103 A A H 3< S+ 0 0 9 -4,-2.5 -1,-0.2 1,-0.3 -3,-0.1 0.734 95.1 69.0 -66.2 -25.7 9.8 26.8 33.3 104 104 A E H 3< S+ 0 0 143 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.808 119.9 17.4 -52.6 -36.9 7.6 28.5 30.7 105 105 A V H << S+ 0 0 17 -3,-1.6 2,-0.5 -4,-0.6 -2,-0.2 0.807 112.9 73.1-108.8 -47.9 4.6 27.2 32.6 106 106 A C < - 0 0 1 -4,-3.2 -1,-0.1 -5,-0.2 -16,-0.1 -0.569 60.0-153.4 -86.0 125.5 5.7 26.2 36.1 107 107 A D S S+ 0 0 27 -2,-0.5 24,-0.9 -18,-0.2 2,-0.4 0.894 85.2 30.6 -59.2 -44.7 6.6 28.8 38.7 108 108 A V E -ef 90 131B 0 -19,-2.3 -17,-1.6 22,-0.1 2,-0.4 -0.958 69.7-161.1-118.8 136.9 8.9 26.6 40.7 109 109 A I E -ef 91 132B 0 22,-2.4 24,-2.4 -2,-0.4 2,-0.4 -0.916 15.6-141.1-115.2 143.9 11.0 23.8 39.2 110 110 A Q E -ef 92 133B 5 -19,-2.1 -17,-1.8 -2,-0.4 24,-0.2 -0.878 6.1-141.7-118.7 128.3 12.4 21.2 41.5 111 111 A L E - f 0 134B 0 22,-3.0 24,-1.7 -2,-0.4 5,-0.1 -0.821 33.6-125.2 -82.8 108.3 15.8 19.5 41.4 112 112 A P > - 0 0 11 0, 0.0 3,-1.0 0, 0.0 4,-0.2 -0.189 16.1-120.2 -57.6 148.1 15.1 15.8 42.4 113 113 A A G > S+ 0 0 15 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.861 110.8 54.8 -58.0 -40.8 17.2 14.6 45.3 114 114 A F G 3 S+ 0 0 36 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.759 114.5 41.7 -65.5 -23.8 18.9 11.8 43.4 115 115 A L G X S+ 0 0 2 -3,-1.0 3,-2.3 1,-0.2 -1,-0.3 0.210 76.2 114.8-108.7 10.3 20.1 14.3 40.8 116 116 A A T < S+ 0 0 0 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.690 82.5 44.4 -65.7 -21.2 21.1 17.2 43.1 117 117 A R T 3 S+ 0 0 96 -3,-0.3 2,-1.1 -4,-0.2 -1,-0.3 0.333 79.6 119.0 -99.5 3.7 24.8 16.8 42.1 118 118 A Q X> - 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