==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JUL-11 3STC . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR T.M.ALLISON,G.B.JAMESON,E.J.PARKER . 1022 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 734 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 154 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.7 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 . 70 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 324 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.5 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 3 0 9 8 0 0 0 0 3 2 4 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 14 8 6 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 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 . 10 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 91 0, 0.0 11,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 126.9 16.2 35.9 52.5 2 2 A D - 0 0 89 9,-0.1 2,-0.4 189,-0.1 9,-0.2 -0.613 360.0-151.7 -93.4 154.8 12.6 36.0 51.3 3 3 A I E -A 10 0A 6 7,-2.8 7,-3.1 -2,-0.2 2,-0.5 -0.997 8.6-142.1-126.1 133.1 11.3 34.9 48.0 4 4 A K E -A 9 0A 125 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.833 15.7-177.4 -94.0 124.5 8.2 36.3 46.3 5 5 A I E > -A 8 0A 7 3,-2.8 3,-2.5 -2,-0.5 2,-0.2 -0.911 67.2 -60.8-122.4 100.5 6.0 33.8 44.5 6 6 A N T 3 S- 0 0 78 -2,-0.5 81,-0.1 1,-0.3 -1,-0.0 -0.456 120.4 -18.6 52.0-122.8 3.2 35.8 42.9 7 7 A D T 3 S+ 0 0 161 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.441 119.4 101.4 -86.8 -1.2 1.4 37.4 46.0 8 8 A I E < -A 5 0A 24 -3,-2.5 -3,-2.8 41,-0.0 2,-0.6 -0.695 60.3-151.4 -89.8 131.5 3.0 34.8 48.4 9 9 A T E -A 4 0A 58 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.922 13.6-167.3 -99.3 120.8 5.9 35.7 50.6 10 10 A L E +A 3 0A 0 -7,-3.1 -7,-2.8 -2,-0.6 2,-0.3 -0.934 29.0 121.5-110.2 121.9 8.1 32.7 51.4 11 11 A G > - 0 0 0 -2,-0.5 3,-2.0 209,-0.3 -9,-0.1 -0.939 69.2-101.1-173.3 159.7 10.7 33.0 54.1 12 12 A N T 3 S+ 0 0 6 178,-0.3 4,-0.1 1,-0.3 -10,-0.1 0.536 121.6 43.6 -68.8 -9.6 11.9 31.5 57.4 13 13 A N T 3 S+ 0 0 86 2,-0.1 -1,-0.3 207,-0.0 207,-0.1 0.102 102.0 84.5-118.2 25.2 10.3 34.4 59.4 14 14 A S S < S- 0 0 16 -3,-2.0 -3,-0.1 1,-0.1 3,-0.1 -0.799 96.9 -73.1-116.7 162.0 7.0 34.5 57.4 15 15 A P - 0 0 83 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 -0.272 67.1 -95.8 -53.9 133.9 3.8 32.5 57.9 16 16 A F - 0 0 4 221,-0.1 2,-0.4 222,-0.1 205,-0.3 -0.184 34.1-139.5 -58.3 145.8 4.5 29.0 56.6 17 17 A V E -b 221 0B 0 203,-1.7 205,-2.3 30,-0.1 2,-0.5 -0.885 12.4-135.4-105.8 134.4 3.5 28.1 53.1 18 18 A L E -bc 222 49B 0 30,-2.4 32,-2.5 -2,-0.4 2,-0.6 -0.831 13.7-166.4 -95.2 128.8 1.9 24.8 52.3 19 19 A F E +bc 223 50B 0 203,-2.9 205,-2.8 -2,-0.5 2,-0.3 -0.973 34.1 131.4-110.6 118.7 3.1 22.8 49.3 20 20 A G E + c 0 51B 0 30,-1.9 32,-2.2 -2,-0.6 2,-0.2 -0.990 2.3 108.9-163.9 163.1 0.7 20.0 48.5 21 21 A G E - c 0 52B 6 203,-0.4 2,-0.3 -2,-0.3 32,-0.2 -0.776 67.5 -21.3 169.0-118.7 -1.3 18.2 45.8 22 22 A I E - 0 0 27 30,-1.8 32,-0.2 -2,-0.2 3,-0.2 -0.769 43.2-126.9-119.1 167.9 -0.9 14.7 44.2 23 23 A N E S+ 0 0 98 1,-0.3 31,-1.2 -2,-0.3 2,-0.4 0.980 94.3 0.6 -71.2 -63.5 2.0 12.3 43.8 24 24 A V E S- c 0 54B 15 29,-0.2 -1,-0.3 31,-0.1 2,-0.3 -0.972 82.4-106.5-131.1 141.4 1.6 11.9 40.0 25 25 A L + 0 0 0 29,-2.5 44,-1.0 -2,-0.4 45,-0.2 -0.545 40.0 167.3 -69.9 125.0 -0.9 13.5 37.6 26 26 A E - 0 0 109 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.718 62.8 -16.2-107.2 -38.2 -3.5 10.9 36.5 27 27 A S > - 0 0 44 1,-0.1 4,-1.8 47,-0.0 -1,-0.4 -0.973 57.1-112.1-163.8 159.6 -6.1 13.1 34.8 28 28 A L H > S+ 0 0 56 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.838 114.0 51.2 -62.0 -36.4 -7.3 16.8 34.6 29 29 A D H > S+ 0 0 128 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.946 112.7 41.2 -72.0 -51.6 -10.6 16.0 36.5 30 30 A S H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.834 113.6 56.6 -66.0 -32.1 -9.1 14.3 39.5 31 31 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.924 108.9 45.2 -61.6 -47.4 -6.3 16.9 39.6 32 32 A L H X S+ 0 0 36 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.796 110.9 54.5 -68.6 -31.7 -8.8 19.8 39.8 33 33 A Q H X S+ 0 0 155 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.920 112.4 42.3 -66.6 -46.8 -10.8 17.9 42.5 34 34 A T H X S+ 0 0 42 -4,-2.1 4,-1.9 2,-0.2 3,-0.2 0.924 115.5 49.0 -66.0 -45.3 -7.8 17.5 44.7 35 35 A C H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.884 108.0 54.1 -65.4 -38.9 -6.5 21.1 44.1 36 36 A A H X S+ 0 0 39 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.831 107.7 52.3 -60.2 -34.6 -10.0 22.6 44.8 37 37 A H H X S+ 0 0 84 -4,-1.2 4,-2.4 -3,-0.2 5,-0.2 0.910 109.9 46.2 -69.8 -44.9 -9.9 20.7 48.2 38 38 A Y H X S+ 0 0 17 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.918 113.6 50.0 -61.7 -45.1 -6.6 22.1 49.2 39 39 A V H X S+ 0 0 12 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.925 110.8 49.7 -59.9 -46.4 -7.6 25.6 48.1 40 40 A E H X S+ 0 0 82 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.951 116.6 40.1 -56.4 -55.5 -10.9 25.4 50.1 41 41 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.922 118.5 45.6 -63.6 -46.3 -9.2 24.2 53.3 42 42 A T H X>S+ 0 0 5 -4,-2.9 5,-2.7 -5,-0.2 4,-1.2 0.913 112.1 52.8 -68.7 -39.0 -6.1 26.5 53.1 43 43 A R H <5S+ 0 0 180 -4,-2.7 3,-0.2 -5,-0.3 -1,-0.2 0.913 110.6 45.4 -58.5 -47.1 -8.3 29.5 52.2 44 44 A K H <5S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.812 116.9 45.7 -74.0 -26.5 -10.6 29.1 55.2 45 45 A L H <5S- 0 0 38 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.593 112.7-122.7 -83.8 -16.0 -7.6 28.5 57.5 46 46 A G T <5 + 0 0 53 -4,-1.2 -3,-0.2 -3,-0.2 -4,-0.1 0.890 60.0 144.8 76.7 40.0 -5.8 31.4 56.0 47 47 A I < - 0 0 9 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.955 52.6-118.0-114.0 123.1 -2.7 29.5 54.9 48 48 A P - 0 0 44 0, 0.0 -30,-2.4 0, 0.0 2,-0.4 -0.276 37.2-155.9 -57.3 145.6 -0.8 30.4 51.6 49 49 A Y E -c 18 0B 9 -32,-0.2 2,-0.4 -30,-0.0 -30,-0.2 -0.984 23.3-174.0-140.7 132.1 -0.9 27.5 49.2 50 50 A I E -c 19 0B 0 -32,-2.5 -30,-1.9 -2,-0.4 2,-0.3 -0.995 29.9-128.3-122.8 125.6 1.2 26.2 46.3 51 51 A F E -cd 20 89B 1 37,-2.1 39,-2.2 -2,-0.4 2,-0.4 -0.597 25.0-160.3 -81.5 131.5 -0.1 23.2 44.3 52 52 A K E +cd 21 90B 7 -32,-2.2 -30,-1.8 -2,-0.3 2,-0.3 -0.910 23.5 138.5-114.5 136.5 2.3 20.3 43.9 53 53 A A E - 0 0 0 37,-1.9 2,-0.4 -2,-0.4 39,-0.2 -0.944 36.6-133.8-163.3 153.8 2.3 17.4 41.4 54 54 A S E -c 24 0B 6 -31,-1.2 -29,-2.5 -2,-0.3 3,-0.1 -0.901 5.6-152.9-106.8 142.3 4.7 15.5 39.2 55 55 A F S S+ 0 0 3 -2,-0.4 15,-2.6 37,-0.3 2,-0.3 0.543 81.2 42.3 -86.1 -7.8 3.9 14.7 35.5 56 56 A D - 0 0 30 13,-0.2 2,-0.9 12,-0.1 12,-0.2 -0.999 66.7-141.7-144.8 134.6 6.1 11.6 35.5 57 57 A K - 0 0 25 10,-0.9 569,-0.1 -2,-0.3 -33,-0.1 -0.845 21.1-175.7 -89.3 99.4 6.9 8.7 37.9 58 58 A A S S+ 0 0 13 -2,-0.9 568,-2.1 1,-0.2 2,-0.5 0.896 75.4 43.8 -65.3 -43.2 10.7 8.3 37.3 59 59 A N S S+ 0 0 71 566,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.939 77.6 175.6-105.4 121.7 10.8 5.2 39.5 60 60 A R - 0 0 26 -2,-0.5 7,-0.1 564,-0.3 5,-0.0 -0.973 38.3-121.6-130.9 147.7 8.0 2.7 39.0 61 61 A S S S+ 0 0 106 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.839 96.0 21.5 -58.4 -41.4 7.3 -0.7 40.4 62 62 A S S > S- 0 0 33 4,-0.1 3,-1.6 1,-0.1 596,-0.1 -0.915 76.5-120.5-126.8 156.1 7.2 -2.5 37.1 63 63 A I T 3 S+ 0 0 23 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.790 121.1 45.6 -63.5 -18.8 8.7 -1.7 33.8 64 64 A H T 3 S+ 0 0 158 2,-0.0 -1,-0.3 -4,-0.0 3,-0.1 0.302 87.0 121.1-103.0 5.9 5.1 -1.9 32.6 65 65 A S S < S- 0 0 37 -3,-1.6 2,-0.1 1,-0.1 -5,-0.0 -0.309 78.8 -81.4 -67.7 156.0 3.5 0.2 35.5 66 66 A Y - 0 0 127 1,-0.1 -1,-0.1 -2,-0.0 -4,-0.1 -0.338 40.0-161.7 -62.3 136.8 1.6 3.4 34.7 67 67 A R - 0 0 36 1,-0.3 -10,-0.9 -3,-0.1 3,-0.2 0.177 35.1-105.9-114.0 15.2 4.0 6.3 34.1 68 68 A G - 0 0 17 -12,-0.2 -1,-0.3 1,-0.2 -42,-0.2 -0.148 47.9 -65.4 81.4 177.2 1.8 9.5 34.5 69 69 A V S > S- 0 0 21 -44,-1.0 4,-0.6 1,-0.1 -1,-0.2 0.632 73.7-134.0 -79.4 -17.3 0.6 11.9 31.8 70 70 A G H > - 0 0 25 -15,-2.6 4,-3.3 -3,-0.2 5,-0.2 0.114 33.7 -57.0 81.9 164.8 4.0 13.1 30.8 71 71 A L H > S+ 0 0 51 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.870 128.9 45.2 -44.1 -61.2 5.4 16.6 30.1 72 72 A E H > S+ 0 0 146 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.917 121.1 37.2 -57.8 -51.0 3.1 17.8 27.3 73 73 A E H X S+ 0 0 110 -4,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.908 116.8 54.7 -66.9 -42.9 -0.2 16.6 29.0 74 74 A G H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.914 106.3 48.8 -56.3 -49.9 1.1 17.6 32.4 75 75 A L H X S+ 0 0 17 -4,-3.0 4,-2.9 -5,-0.2 -1,-0.2 0.877 108.5 55.6 -62.1 -38.7 1.9 21.2 31.5 76 76 A K H X S+ 0 0 120 -4,-1.5 4,-1.4 -5,-0.3 -1,-0.2 0.915 108.8 47.3 -54.9 -46.9 -1.5 21.6 29.9 77 77 A I H X S+ 0 0 12 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.897 112.5 48.9 -64.8 -42.8 -3.1 20.5 33.3 78 78 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.927 105.9 57.6 -60.1 -48.8 -0.9 22.9 35.3 79 79 A E H X S+ 0 0 104 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.865 111.8 42.8 -47.9 -40.7 -1.8 25.7 32.9 80 80 A K H X S+ 0 0 126 -4,-1.4 4,-3.1 2,-0.2 5,-0.2 0.861 108.1 56.3 -81.6 -36.8 -5.5 25.1 33.7 81 81 A V H X>S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.6 0.946 110.5 47.7 -54.4 -47.5 -5.0 24.7 37.5 82 82 A K H X5S+ 0 0 55 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.880 112.4 50.1 -61.3 -39.6 -3.3 28.1 37.4 83 83 A A H <5S+ 0 0 81 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.964 114.4 42.0 -62.6 -54.0 -6.3 29.5 35.4 84 84 A E H <5S+ 0 0 133 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.946 131.7 18.7 -61.3 -52.8 -9.0 28.1 37.6 85 85 A F H <5S- 0 0 38 -4,-2.3 -3,-0.2 -5,-0.2 -1,-0.2 0.692 87.8-133.8 -99.7 -22.6 -7.5 28.9 41.1 86 86 A G << + 0 0 59 -4,-1.5 -4,-0.2 -5,-0.6 -3,-0.1 0.923 58.9 133.2 66.1 44.7 -4.9 31.6 40.4 87 87 A I - 0 0 19 -6,-0.3 -1,-0.2 -81,-0.1 -37,-0.1 -0.880 60.0-101.6-121.0 157.3 -2.2 29.9 42.6 88 88 A P - 0 0 5 0, 0.0 -37,-2.1 0, 0.0 2,-0.3 -0.385 36.6-151.4 -72.8 156.7 1.4 29.0 42.0 89 89 A V E -d 51 0B 0 -39,-0.2 19,-2.3 16,-0.2 2,-0.4 -0.903 6.6-155.9-129.2 159.8 2.4 25.5 41.1 90 90 A I E +de 52 108B 0 -39,-2.2 -37,-1.9 -2,-0.3 2,-0.3 -0.999 15.8 164.8-138.6 135.9 5.5 23.3 41.6 91 91 A T E - e 0 109B 1 17,-1.7 19,-2.7 -2,-0.4 2,-0.3 -0.965 31.4-112.9-144.4 160.7 6.8 20.3 39.7 92 92 A D E - e 0 110B 23 -2,-0.3 2,-0.4 17,-0.2 -37,-0.3 -0.687 21.1-152.4 -96.2 149.5 10.0 18.3 39.4 93 93 A V - 0 0 0 17,-2.1 32,-0.0 -2,-0.3 28,-0.0 -0.947 13.6-179.5-121.5 143.8 12.3 18.1 36.4 94 94 A H + 0 0 15 -2,-0.4 -1,-0.1 1,-0.2 27,-0.1 0.626 65.9 46.7-117.8 -20.6 14.6 15.2 35.5 95 95 A E S >> S- 0 0 43 1,-0.1 3,-1.3 26,-0.1 4,-0.6 -0.978 76.7-124.1-128.5 141.3 16.3 16.1 32.2 96 96 A P G >4 S+ 0 0 36 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.807 110.2 57.9 -49.2 -38.6 18.1 19.4 31.3 97 97 A H G 34 S+ 0 0 128 1,-0.2 3,-0.2 2,-0.1 24,-0.0 0.814 99.3 59.9 -66.1 -30.0 15.9 19.8 28.2 98 98 A Q G <> S+ 0 0 20 -3,-1.3 4,-2.4 1,-0.2 5,-0.3 0.736 87.8 79.0 -66.5 -24.0 12.7 19.8 30.3 99 99 A C H S+ 0 0 87 -4,-0.5 4,-1.0 -3,-0.2 -1,-0.2 0.894 118.4 43.9 -63.9 -41.7 12.9 25.8 30.1 101 101 A P H >> S+ 0 0 53 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.941 117.4 45.5 -67.5 -45.4 9.5 24.5 28.8 102 102 A V H >X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 3,-0.7 0.883 109.5 57.9 -60.1 -38.4 8.4 23.4 32.3 103 103 A A H 3< S+ 0 0 7 -4,-2.7 -1,-0.2 -5,-0.3 -3,-0.2 0.724 94.9 65.0 -67.8 -23.3 9.7 26.7 33.6 104 104 A E H << S+ 0 0 147 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.885 119.5 21.0 -62.0 -40.4 7.4 28.7 31.3 105 105 A V H << S+ 0 0 18 -4,-0.8 2,-0.4 -3,-0.7 -2,-0.2 0.898 112.2 70.2 -95.5 -53.0 4.3 27.2 33.0 106 106 A C < - 0 0 1 -4,-2.8 -16,-0.1 -5,-0.1 -1,-0.1 -0.587 62.1-153.8 -85.2 123.6 5.4 26.1 36.5 107 107 A D S S+ 0 0 30 -2,-0.4 24,-0.9 -18,-0.3 2,-0.4 0.887 85.0 33.8 -60.2 -46.0 6.3 28.9 39.0 108 108 A V E S-ef 90 131B 0 -19,-2.3 -17,-1.7 22,-0.1 2,-0.4 -0.960 71.2-160.3-115.9 132.1 8.6 26.6 41.0 109 109 A I E -ef 91 132B 0 22,-2.1 24,-2.3 -2,-0.4 2,-0.4 -0.919 14.6-142.9-110.6 139.1 10.7 23.9 39.5 110 110 A Q E -ef 92 133B 8 -19,-2.7 -17,-2.1 -2,-0.4 24,-0.2 -0.853 5.2-144.3-112.6 133.4 12.1 21.2 41.8 111 111 A L E - f 0 134B 0 22,-3.0 24,-1.7 -2,-0.4 5,-0.1 -0.853 30.9-124.7 -92.2 112.5 15.4 19.4 41.7 112 112 A P > - 0 0 15 0, 0.0 3,-0.8 0, 0.0 4,-0.1 -0.235 15.5-121.9 -57.5 147.1 14.8 15.7 42.7 113 113 A A G > S+ 0 0 11 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.867 111.7 55.7 -60.1 -38.0 17.0 14.5 45.6 114 114 A F G 3 S+ 0 0 47 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.763 114.0 41.0 -65.9 -27.0 18.5 11.7 43.5 115 115 A L G X S+ 0 0 2 -3,-0.8 3,-1.6 1,-0.2 -1,-0.3 0.157 79.5 113.7-105.1 14.5 19.7 14.3 40.9 116 116 A A T < S+ 0 0 2 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.720 81.9 42.4 -64.6 -25.2 20.8 17.0 43.3 117 117 A R T 3 S+ 0 0 93 -3,-0.2 2,-1.1 -4,-0.2 -1,-0.3 0.347 80.3 118.2-104.3 6.9 24.5 16.7 42.3 118 118 A Q X> - 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