==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 12-AUG-08 2ZQK . COMPND 2 MOLECULE: INTIMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.MA,F.GAO,D.-F.LI,G.F.GAO . 621 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 431 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 19.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 . 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 . 44 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 1 1 1 1 1 1 1 0 1 0 0 2 1 1 0 0 0 0 1 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 0 0 PARALLEL BRIDGES PER LADDER . 2 6 3 10 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 3 1 1 0 1 1 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 F 0 0 231 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 21.3 52.9 5.7 51.4 2 7 A F - 0 0 97 1,-0.1 38,-0.1 75,-0.1 2,-0.1 -0.318 360.0 -86.8 -93.4 177.3 50.1 5.8 48.7 3 8 A D - 0 0 118 36,-0.5 36,-2.9 1,-0.1 2,-0.5 -0.413 49.1 -84.6 -86.4 159.9 46.5 4.6 48.5 4 9 A E - 0 0 145 34,-0.2 -1,-0.1 -2,-0.1 33,-0.1 -0.473 56.1-113.1 -63.3 112.1 45.2 1.2 47.5 5 10 A L + 0 0 3 -2,-0.5 2,-0.3 33,-0.2 33,-0.3 -0.151 44.5 178.2 -48.5 133.6 44.9 1.4 43.7 6 11 A K E -A 37 0A 120 31,-3.2 31,-2.0 75,-0.1 2,-0.5 -0.904 26.9-140.0-136.9 162.4 41.3 1.3 42.4 7 12 A I E -A 36 0A 26 -2,-0.3 29,-0.2 29,-0.2 75,-0.0 -0.983 33.2-116.1-127.6 117.1 39.5 1.5 39.1 8 13 A D - 0 0 50 27,-3.1 27,-0.4 -2,-0.5 28,-0.0 -0.258 13.9-139.8 -54.2 132.3 36.3 3.6 39.1 9 14 A N S S+ 0 0 87 25,-0.1 13,-0.4 12,-0.1 2,-0.4 0.851 84.8 74.4 -60.1 -41.4 33.2 1.5 38.4 10 15 A K S S- 0 0 95 11,-0.1 25,-0.3 9,-0.1 11,-0.3 -0.640 70.2-160.3 -81.0 131.4 31.7 4.2 36.2 11 16 A V E -B 20 0B 0 9,-2.8 9,-1.7 -2,-0.4 2,-0.6 -0.587 18.0-120.2-105.4 168.0 33.2 4.7 32.8 12 17 A D E -BC 19 33B 56 21,-1.3 21,-0.8 7,-0.2 2,-0.2 -0.872 20.6-143.6-114.3 100.4 33.1 7.7 30.4 13 18 A I E > - C 0 32B 4 5,-2.0 4,-0.8 -2,-0.6 5,-0.5 -0.437 8.3-152.8 -63.2 124.2 31.5 6.9 27.0 14 19 A I T >4 S+ 0 0 48 17,-2.2 3,-1.5 -2,-0.2 -1,-0.1 0.991 87.0 57.9 -60.2 -65.9 33.4 9.0 24.5 15 20 A G T 34 S+ 0 0 6 16,-0.4 112,-0.4 1,-0.3 -1,-0.2 0.632 127.0 14.0 -41.3 -26.6 30.7 9.4 21.9 16 21 A N T 34 S- 0 0 44 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.194 91.6-121.2-143.8 25.1 28.3 11.0 24.3 17 22 A N << + 0 0 141 -3,-1.5 2,-0.3 -4,-0.8 -3,-0.2 0.691 56.2 156.2 45.1 23.4 30.1 12.1 27.5 18 23 A V - 0 0 71 -5,-0.5 -5,-2.0 107,-0.1 2,-0.8 -0.640 33.9-152.5 -79.0 136.5 27.9 9.9 29.6 19 24 A R E +B 12 0B 106 -2,-0.3 2,-0.2 -7,-0.2 -7,-0.2 -0.887 52.6 100.1-111.2 98.1 29.5 9.0 32.8 20 25 A G E S-B 11 0B 19 -9,-1.7 -9,-2.8 -2,-0.8 2,-0.2 -0.804 74.8 -55.1-154.9-165.7 27.9 5.7 33.8 21 26 A E S S- 0 0 125 -11,-0.3 -11,-0.1 -2,-0.2 3,-0.1 -0.533 72.3 -71.8 -88.9 153.6 28.7 2.0 33.6 22 27 A L - 0 0 31 -13,-0.4 -1,-0.1 -2,-0.2 10,-0.0 -0.138 61.2-113.3 -44.6 109.1 29.7 0.0 30.5 23 28 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 101,-0.0 -0.005 15.0-127.3 -44.4 152.5 26.5 -0.2 28.5 24 29 A N S S+ 0 0 108 64,-0.1 65,-2.8 -3,-0.1 66,-0.5 0.332 93.0 55.9 -88.2 3.3 25.0 -3.7 28.1 25 30 A I S S- 0 0 27 63,-0.2 2,-0.3 64,-0.2 66,-0.2 -0.997 81.3-140.3-136.8 132.4 24.8 -3.6 24.3 26 31 A W E -f 91 0C 3 64,-2.1 66,-3.5 -2,-0.4 2,-0.8 -0.760 20.6-155.2-112.5 150.8 27.9 -2.8 22.1 27 32 A L E > -f 92 0C 2 -2,-0.3 3,-2.4 64,-0.2 36,-0.3 -0.900 43.4-117.6-109.5 98.3 29.0 -0.9 19.1 28 33 A Q T 3 S+ 0 0 23 64,-1.8 36,-0.2 -2,-0.8 66,-0.2 -0.143 102.8 18.2 -38.6 124.5 32.1 -2.8 18.0 29 34 A Y T 3 S+ 0 0 54 34,-2.7 104,-0.5 1,-0.3 -1,-0.3 0.572 88.7 141.1 82.7 14.2 34.8 -0.2 18.3 30 35 A G < - 0 0 0 -3,-2.4 33,-1.9 33,-0.1 2,-0.3 -0.426 39.5-145.9 -75.3 163.8 32.9 2.1 20.6 31 36 A Q E + D 0 62B 7 31,-0.2 -17,-2.2 -2,-0.1 -16,-0.4 -0.987 24.4 169.5-142.1 148.7 35.2 3.6 23.3 32 37 A F E -CD 13 61B 0 29,-1.0 29,-3.0 -2,-0.3 2,-0.5 -0.921 28.8-113.4-146.7 168.6 35.1 4.6 26.9 33 38 A K E -CD 12 60B 72 -21,-0.8 -21,-1.3 -2,-0.3 2,-0.3 -0.938 13.5-149.0-118.7 133.3 37.6 5.6 29.6 34 39 A L - 0 0 7 25,-2.2 2,-0.6 -2,-0.5 -23,-0.1 -0.720 15.5-143.2 -91.3 140.8 38.5 3.9 32.8 35 40 A K - 0 0 124 -27,-0.4 -27,-3.1 -2,-0.3 2,-0.5 -0.911 12.1-160.3-112.2 112.3 39.5 6.1 35.8 36 41 A A E +A 7 0A 14 -2,-0.6 -29,-0.2 -29,-0.2 2,-0.2 -0.785 12.9 178.3 -94.4 124.1 42.3 4.7 38.0 37 42 A S E +A 6 0A 56 -31,-2.0 -31,-3.2 -2,-0.5 -2,-0.0 -0.703 42.6 34.6-115.8 170.2 42.7 6.1 41.5 38 43 A G S > S+ 0 0 21 -33,-0.3 3,-0.8 -2,-0.2 -34,-0.2 -0.187 77.2 77.5 78.5-178.2 45.1 5.3 44.3 39 44 A G T 3 S- 0 0 11 -36,-2.9 -36,-0.5 1,-0.2 -1,-0.2 -0.081 107.6 -45.1 70.3-174.7 48.7 4.3 43.8 40 45 A D T 3 S- 0 0 53 2,-0.2 -1,-0.2 -38,-0.1 3,-0.1 0.240 79.2-108.3 -77.1 14.7 51.6 6.7 43.0 41 46 A G S < S+ 0 0 48 -3,-0.8 2,-0.5 1,-0.2 -1,-0.1 0.126 88.6 112.1 82.0 -24.3 49.5 8.4 40.4 42 47 A T - 0 0 90 2,-0.0 34,-0.7 1,-0.0 2,-0.3 -0.733 51.2-165.1 -86.3 126.3 51.5 6.9 37.5 43 48 A Y E -M 75 0D 65 -2,-0.5 2,-0.4 32,-0.2 32,-0.2 -0.883 23.2-179.6-124.6 151.2 49.5 4.4 35.3 44 49 A S E -M 74 0D 71 30,-1.8 30,-2.4 -2,-0.3 2,-0.3 -0.996 17.4-166.2-136.6 135.3 50.0 1.7 32.7 45 50 A W E +M 73 0D 24 -2,-0.4 2,-0.3 28,-0.2 28,-0.2 -0.854 12.5 164.1-125.8 163.3 47.1 -0.2 31.2 46 51 A Y E -M 72 0D 100 26,-1.3 26,-2.6 -2,-0.3 2,-0.3 -0.879 29.3-126.1-174.6 142.5 46.6 -3.3 29.1 47 52 A S E -M 71 0D 18 -2,-0.3 3,-0.3 24,-0.2 24,-0.2 -0.717 14.4-141.6 -92.6 143.4 43.9 -5.8 28.0 48 53 A E S S+ 0 0 112 22,-2.9 2,-0.3 -2,-0.3 23,-0.1 0.657 95.9 34.1 -78.6 -13.5 44.4 -9.5 28.6 49 54 A N >> - 0 0 68 21,-0.3 4,-2.0 4,-0.1 3,-1.7 -0.789 62.6-171.1-146.1 98.3 42.8 -10.3 25.3 50 55 A T T 34 S+ 0 0 96 -2,-0.3 -1,-0.1 -3,-0.3 -2,-0.1 0.619 83.6 69.2 -63.0 -14.6 43.4 -7.9 22.4 51 56 A S T 34 S+ 0 0 83 1,-0.1 -1,-0.3 13,-0.0 3,-0.1 0.797 111.5 30.9 -77.0 -24.4 40.8 -9.7 20.3 52 57 A I T <4 S- 0 0 20 -3,-1.7 12,-2.4 1,-0.3 13,-1.4 0.765 131.8 -1.6-102.3 -30.8 38.1 -8.5 22.5 53 58 A A E < -E 63 0B 0 -4,-2.0 2,-0.3 10,-0.3 -1,-0.3 -0.994 52.6-158.5-158.4 160.0 39.3 -5.1 23.8 54 59 A T E -E 62 0B 63 8,-2.0 8,-2.6 -2,-0.3 2,-0.4 -0.966 7.6-160.5-140.5 152.1 42.2 -2.7 23.6 55 60 A V E -E 61 0B 20 -2,-0.3 6,-0.2 6,-0.2 -8,-0.2 -0.970 9.1-142.7-143.6 127.6 43.4 0.1 25.9 56 61 A D > - 0 0 64 4,-2.5 3,-3.0 -2,-0.4 4,-0.2 -0.384 38.9 -99.2 -81.6 161.7 45.8 3.1 25.3 57 62 A A T 3 S+ 0 0 81 1,-0.3 -1,-0.1 2,-0.1 -14,-0.1 0.750 122.4 60.3 -52.5 -24.9 48.2 4.3 27.9 58 63 A S T 3 S- 0 0 68 2,-0.1 -1,-0.3 -14,-0.1 -14,-0.1 0.430 123.1-102.0 -84.0 0.2 45.7 7.1 28.9 59 64 A G S < S+ 0 0 0 -3,-3.0 -25,-2.2 1,-0.3 2,-0.6 0.616 71.8 145.2 92.5 12.4 43.1 4.5 29.8 60 65 A K E -D 33 0B 49 -27,-0.2 -4,-2.5 -4,-0.2 -1,-0.3 -0.767 32.7-156.7 -90.1 124.2 40.9 4.6 26.8 61 66 A V E -DE 32 55B 0 -29,-3.0 -29,-1.0 -2,-0.6 2,-0.4 -0.636 7.3-158.9 -98.8 154.3 39.4 1.3 25.9 62 67 A T E -DE 31 54B 19 -8,-2.6 -8,-2.0 -2,-0.2 2,-0.6 -0.999 16.7-132.7-133.2 134.3 38.1 0.0 22.5 63 68 A L E + E 0 53B 0 -33,-1.9 -34,-2.7 -2,-0.4 -10,-0.3 -0.778 30.2 167.7 -88.5 122.1 35.7 -2.9 22.0 64 69 A N - 0 0 40 -12,-2.4 2,-0.3 -2,-0.6 -11,-0.2 0.670 60.4 -1.0-107.3 -24.6 37.0 -5.2 19.3 65 70 A G S S- 0 0 12 -13,-1.4 -1,-0.4 2,-0.1 2,-0.2 -0.984 78.2 -87.7-164.8 155.4 34.9 -8.2 19.6 66 71 A K S S+ 0 0 66 -2,-0.3 2,-0.3 -3,-0.1 21,-0.1 -0.454 81.1 73.7 -68.6 135.3 32.0 -9.8 21.6 67 72 A G S S- 0 0 16 -2,-0.2 2,-0.3 -15,-0.1 -2,-0.1 -0.949 79.4 -72.7 153.7-169.3 33.2 -11.6 24.6 68 73 A S + 0 0 65 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.881 48.3 158.2-119.4 155.0 34.6 -11.0 28.1 69 74 A V E - N 0 85D 11 16,-2.2 16,-3.3 -2,-0.3 2,-0.4 -0.983 32.8-112.5-165.6 168.2 38.0 -9.8 29.1 70 75 A V E - N 0 84D 25 -2,-0.3 -22,-2.9 14,-0.2 2,-0.5 -0.926 12.9-158.9-118.4 140.0 40.1 -8.1 31.7 71 76 A I E -MN 47 83D 1 12,-3.1 12,-3.2 -2,-0.4 2,-0.3 -0.975 16.6-157.1-114.8 123.0 41.8 -4.7 31.7 72 77 A K E -MN 46 82D 35 -26,-2.6 -26,-1.3 -2,-0.5 2,-0.4 -0.784 3.7-158.8-101.8 145.2 44.6 -4.4 34.2 73 78 A A E -MN 45 81D 0 8,-2.3 8,-1.7 -2,-0.3 2,-0.4 -0.959 8.4-167.5-120.5 141.8 45.8 -1.1 35.6 74 79 A T E -MN 44 80D 32 -30,-2.4 -30,-1.8 -2,-0.4 6,-0.2 -0.996 3.6-157.8-134.5 132.6 49.3 -0.8 37.1 75 80 A S E > -M 43 0D 8 4,-1.7 3,-1.1 -2,-0.4 4,-0.5 -0.479 34.2-106.1 -98.3 172.0 50.7 2.1 39.2 76 81 A G T 3 S+ 0 0 46 -34,-0.7 -33,-0.1 1,-0.3 -1,-0.1 0.849 115.2 64.5 -66.2 -33.9 54.3 3.0 39.7 77 82 A D T 3 S- 0 0 39 -35,-0.2 -1,-0.3 1,-0.1 -38,-0.1 0.187 123.6 -96.4 -78.2 20.5 54.2 1.7 43.3 78 83 A K S < S+ 0 0 189 -3,-1.1 2,-0.4 1,-0.2 -2,-0.1 0.964 73.8 143.4 67.9 56.2 53.7 -1.9 42.0 79 84 A Q - 0 0 50 -4,-0.5 -4,-1.7 2,-0.0 2,-0.5 -0.994 27.2-169.6-130.3 130.3 49.9 -2.3 42.3 80 85 A T E +N 74 0D 79 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.972 6.6 178.4-123.7 121.1 47.7 -4.2 39.8 81 86 A V E -N 73 0D 42 -8,-1.7 -8,-2.3 -2,-0.5 2,-0.5 -0.893 20.3-134.3-120.3 147.4 44.0 -4.1 39.8 82 87 A S E -N 72 0D 61 -2,-0.3 2,-0.6 -10,-0.2 -10,-0.2 -0.906 12.9-171.0-111.3 120.0 41.6 -5.8 37.4 83 88 A Y E -N 71 0D 30 -12,-3.2 -12,-3.1 -2,-0.5 2,-0.4 -0.934 21.9-150.2-104.5 119.2 38.6 -4.2 35.8 84 89 A T E -N 70 0D 78 -2,-0.6 2,-0.6 -14,-0.2 -14,-0.2 -0.755 8.5-153.4 -97.2 138.2 36.6 -6.9 34.1 85 90 A I E -N 69 0D 1 -16,-3.3 -16,-2.2 -2,-0.4 2,-0.4 -0.947 16.2-150.0-105.8 117.9 34.5 -6.4 31.0 86 91 A K - 0 0 171 -2,-0.6 -18,-0.2 -18,-0.2 -19,-0.1 -0.743 32.0 -92.9 -92.0 135.1 31.6 -8.9 30.8 87 92 A A - 0 0 42 -2,-0.4 -19,-0.1 -21,-0.1 -1,-0.1 -0.081 47.8-118.2 -44.5 140.6 30.4 -10.0 27.4 88 93 A P - 0 0 7 0, 0.0 -63,-0.2 0, 0.0 3,-0.1 -0.232 17.5-109.8 -77.8 168.4 27.4 -7.8 26.2 89 94 A S S S- 0 0 77 -65,-2.8 2,-0.3 1,-0.2 -64,-0.2 0.955 96.4 -18.9 -64.2 -52.7 23.9 -8.9 25.3 90 95 A Y - 0 0 37 -66,-0.5 -64,-2.1 2,-0.0 2,-0.3 -0.900 66.7-138.3-146.5 172.0 24.5 -8.3 21.6 91 96 A M E -f 26 0C 0 -2,-0.3 92,-2.0 -66,-0.2 2,-0.4 -0.994 10.4-131.4-145.8 138.4 27.0 -6.4 19.5 92 97 A I E -fG 27 182C 0 -66,-3.5 -64,-1.8 -2,-0.3 2,-0.4 -0.702 23.1-176.6 -88.9 128.5 26.8 -4.2 16.4 93 98 A K E - G 0 181C 68 88,-1.6 88,-2.1 -2,-0.4 2,-0.8 -0.978 18.3-145.2-128.3 120.4 29.2 -4.9 13.5 94 99 A V E + G 0 180C 29 -2,-0.4 86,-0.2 86,-0.2 3,-0.1 -0.746 29.4 171.6 -88.0 114.4 29.4 -2.8 10.4 95 100 A D E - 0 0 53 84,-2.1 2,-0.1 -2,-0.8 85,-0.1 0.118 40.9 -44.2 -96.5-145.0 30.2 -5.1 7.5 96 101 A K E - 0 0 130 82,-0.1 83,-2.7 1,-0.1 -1,-0.3 -0.338 61.6 -95.3 -84.8 164.5 30.3 -4.3 3.7 97 102 A Q E + G 0 178C 79 81,-0.3 2,-0.3 -3,-0.1 81,-0.3 -0.586 59.6 158.3 -74.8 145.5 27.7 -2.3 1.8 98 103 A A - 0 0 13 79,-2.2 76,-0.1 -2,-0.2 5,-0.1 -0.936 45.9 -98.7-169.6 144.0 25.3 -4.8 0.2 99 104 A Y > - 0 0 98 -2,-0.3 4,-2.6 74,-0.1 74,-0.2 -0.243 55.9 -94.4 -60.5 158.8 21.8 -5.0 -1.2 100 105 A Y H > S+ 0 0 12 72,-2.6 4,-2.0 1,-0.2 5,-0.2 0.864 124.8 50.1 -42.1 -56.9 19.3 -6.4 1.3 101 106 A A H > S+ 0 0 62 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.942 113.5 46.9 -49.4 -52.4 19.6 -10.1 0.2 102 107 A D H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 5,-0.4 0.862 104.6 62.3 -59.6 -36.1 23.3 -9.9 0.4 103 108 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.961 106.7 44.6 -53.3 -51.3 23.0 -8.2 3.8 104 109 A M H X>S+ 0 0 34 -4,-2.0 5,-2.5 -3,-0.2 4,-0.6 0.903 112.6 51.9 -59.2 -47.8 21.3 -11.4 5.1 105 110 A S H ><5S+ 0 0 78 -4,-2.1 3,-4.0 1,-0.2 4,-0.2 0.958 113.0 42.5 -48.8 -84.5 23.9 -13.6 3.4 106 111 A I H 3<5S+ 0 0 59 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.717 120.7 44.8 -30.6 -39.7 26.9 -11.8 4.9 107 112 A a H ><5S- 0 0 4 -4,-2.1 3,-2.0 -5,-0.4 -1,-0.3 0.352 105.8-122.6 -95.6 6.4 25.1 -11.6 8.3 108 113 A K T <<5S- 0 0 157 -3,-4.0 -3,-0.2 -4,-0.6 -2,-0.1 0.823 76.6 -56.3 55.6 30.6 23.8 -15.2 8.4 109 114 A N T 3 S- 0 0 71 1,-0.0 3,-0.5 30,-0.0 4,-0.3 -0.701 81.2-111.0-120.3 174.7 13.5 -4.0 14.8 115 120 A Q T >> S+ 0 0 77 -2,-0.2 4,-2.7 1,-0.2 3,-1.4 0.775 110.2 70.6 -78.5 -25.8 14.8 -0.5 14.7 116 121 A T H 3> S+ 0 0 72 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.730 85.6 70.3 -62.0 -22.0 15.2 -0.2 18.4 117 122 A V H <4 S+ 0 0 22 -3,-0.5 4,-0.3 1,-0.2 -1,-0.3 0.846 111.6 28.8 -66.9 -30.8 18.0 -2.6 18.1 118 123 A L H <> S+ 0 0 0 -3,-1.4 4,-1.7 -4,-0.3 3,-0.2 0.819 116.8 57.3 -96.3 -37.2 20.1 0.1 16.4 119 124 A S H X S+ 0 0 16 -4,-2.7 4,-2.9 1,-0.2 -3,-0.2 0.853 104.4 54.2 -62.6 -33.2 18.5 3.2 18.0 120 125 A D H X S+ 0 0 63 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.869 104.7 54.6 -68.1 -33.8 19.4 1.8 21.5 121 126 A I H >>S+ 0 0 3 -4,-0.3 4,-1.9 -3,-0.2 5,-0.6 0.873 109.4 48.4 -66.0 -36.2 23.0 1.5 20.3 122 127 A Y H >X5S+ 0 0 57 -4,-1.7 4,-1.4 3,-0.2 3,-0.6 0.990 110.2 50.0 -64.7 -59.5 22.8 5.1 19.4 123 128 A D H 3<5S+ 0 0 97 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.790 116.7 42.7 -50.0 -31.0 21.3 6.1 22.8 124 129 A S H 3<5S+ 0 0 33 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.786 135.2 11.6 -89.1 -26.8 24.0 4.2 24.6 125 130 A W H <<5S- 0 0 0 -4,-1.9 2,-0.2 -3,-0.6 -3,-0.2 0.771 90.4-137.2-117.7 -45.9 27.0 5.3 22.4 126 131 A G << - 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