==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 29-SEP-97 1AV7 . COMPND 2 MOLECULE: SUBTILISIN CARLSBERG, TYPE VIII; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR V.S.STOLL,B.T.EGER,R.C.HYNES,V.MARTICHONOK,J.B.JONES,E.F.PAI . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.1 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 0.4 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 . 21 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 0 1 0 0 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 4 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 0 PARALLEL BRIDGES PER LADDER . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 A 0 0 113 0, 0.0 2,-0.4 0, 0.0 78,-0.2 0.000 360.0 360.0 360.0 -45.8 41.8 10.8 33.3 2 2 A Q - 0 0 42 74,-0.1 2,-0.4 76,-0.1 78,-0.2 -0.818 360.0-138.8-103.5 135.9 38.6 8.8 34.0 3 3 A T - 0 0 65 76,-3.6 78,-0.2 -2,-0.4 75,-0.1 -0.757 1.9-148.7 -95.9 137.1 35.2 10.5 33.6 4 4 A V - 0 0 74 -2,-0.4 76,-0.1 76,-0.2 78,-0.1 -0.877 22.5-136.3-105.1 96.3 32.4 9.9 36.1 5 5 A P > - 0 0 13 0, 0.0 3,-1.9 0, 0.0 199,-0.1 -0.325 22.8-113.8 -54.2 131.0 29.1 10.2 34.0 6 6 A Y T 3> S+ 0 0 69 1,-0.3 4,-2.1 197,-0.2 198,-0.1 0.715 110.5 71.2 -39.2 -30.3 26.5 12.3 35.9 7 7 A G H 3> S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.886 87.3 59.6 -56.7 -47.3 24.4 9.1 36.2 8 8 A I H X4>S+ 0 0 4 -3,-1.9 5,-2.2 1,-0.2 6,-0.7 0.921 112.6 37.0 -52.5 -54.0 26.6 7.3 38.7 9 9 A P H >45S+ 0 0 55 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.927 109.4 64.8 -67.2 -37.3 26.4 9.9 41.4 10 10 A L H 3<5S+ 0 0 41 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.772 111.7 34.2 -56.3 -28.0 22.7 10.7 40.6 11 11 A I T <<5S- 0 0 1 -4,-1.5 258,-1.7 -3,-0.5 259,-0.5 0.304 114.4-113.5-108.8 4.9 21.6 7.2 41.6 12 12 A K T <>5 + 0 0 75 -3,-1.7 4,-1.3 -4,-0.4 3,-0.2 0.781 69.9 141.3 65.9 33.2 24.2 6.9 44.4 13 13 A A H >< + 0 0 0 -5,-2.2 4,-2.6 -6,-0.2 5,-0.2 0.874 69.3 60.7 -68.6 -38.1 26.1 4.1 42.7 14 14 A D H > S+ 0 0 62 -6,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.860 99.6 57.1 -59.0 -31.8 29.3 5.7 44.0 15 15 A K H > S+ 0 0 90 2,-0.2 4,-0.7 1,-0.2 3,-0.2 0.976 111.1 39.5 -63.5 -56.7 28.1 5.2 47.6 16 16 A V H ><>S+ 0 0 0 -4,-1.3 5,-2.1 1,-0.2 3,-0.7 0.854 113.7 55.1 -61.1 -37.8 27.7 1.5 47.3 17 17 A Q H ><5S+ 0 0 16 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.864 104.7 54.1 -65.3 -33.3 30.9 1.2 45.2 18 18 A A H 3<5S+ 0 0 90 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.703 100.3 61.4 -71.4 -19.3 32.7 3.0 48.1 19 19 A Q T <<5S- 0 0 76 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.593 128.2-104.3 -78.4 -13.8 31.2 0.2 50.3 20 20 A G T < 5S+ 0 0 53 -3,-1.2 2,-0.7 -4,-0.4 -3,-0.2 0.515 81.7 129.7 101.0 10.3 33.2 -2.1 48.2 21 21 A F < + 0 0 64 -5,-2.1 -1,-0.2 1,-0.1 -2,-0.2 -0.866 15.2 153.9-105.9 109.5 30.3 -3.5 46.1 22 22 A K - 0 0 57 -2,-0.7 64,-3.0 62,-0.1 65,-0.4 0.125 67.0 -96.6-120.1 18.4 31.0 -3.4 42.3 23 23 A G > + 0 0 0 1,-0.2 3,-1.6 208,-0.2 65,-0.3 0.549 62.1 173.4 80.5 7.9 28.9 -6.1 40.8 24 24 A A T 3 + 0 0 53 1,-0.3 63,-0.2 63,-0.2 -1,-0.2 -0.139 63.0 8.3 -54.2 140.1 31.8 -8.6 40.8 25 25 A N T 3 S+ 0 0 130 61,-0.9 2,-0.4 1,-0.2 -1,-0.3 0.642 95.7 124.5 61.4 20.0 30.9 -12.2 39.8 26 26 A V < - 0 0 9 -3,-1.6 62,-3.2 60,-0.2 2,-0.5 -0.885 60.0-131.4-107.8 133.6 27.4 -11.2 38.8 27 27 A K E -a 88 0A 54 -2,-0.4 92,-2.0 90,-0.2 93,-1.7 -0.855 26.0-177.5 -90.3 126.8 26.6 -12.2 35.2 28 28 A V E -ab 89 120A 0 60,-2.9 62,-2.8 -2,-0.5 2,-0.4 -0.972 8.9-163.2-130.9 117.0 25.0 -9.5 33.0 29 29 A A E -ab 90 121A 0 91,-1.7 93,-1.8 -2,-0.4 2,-0.6 -0.785 6.1-155.2 -97.5 142.2 23.8 -10.0 29.4 30 30 A V E -ab 91 122A 1 60,-2.7 62,-2.0 -2,-0.4 2,-1.2 -0.927 4.0-157.3-118.4 101.5 23.1 -7.0 27.1 31 31 A L E +ab 92 123A 0 91,-2.0 93,-0.5 -2,-0.6 62,-0.2 -0.690 53.4 99.9 -79.3 101.9 20.7 -7.9 24.3 32 32 A D E S-a 93 0A 1 60,-1.5 63,-2.9 -2,-1.2 62,-2.7 -0.444 88.5 -48.6-151.0-141.2 21.6 -5.2 21.8 33 33 A T S S- 0 0 0 1,-0.4 27,-0.7 61,-0.2 28,-0.3 0.263 92.4 -86.6 -96.8 9.2 23.5 -4.5 18.6 34 34 A G - 0 0 2 -4,-0.2 -1,-0.4 58,-0.2 2,-0.3 -0.646 43.2 -96.1 112.3-176.6 26.7 -6.1 19.8 35 35 A I - 0 0 0 21,-0.7 2,-3.3 23,-0.3 3,-0.1 -0.943 18.9-126.3-146.0 124.7 29.6 -4.7 21.8 36 36 A Q > - 0 0 18 -2,-0.3 3,-2.9 1,-0.2 6,-0.2 -0.370 37.3-177.3 -65.3 72.7 33.0 -3.3 20.5 37 37 A A T 3 S+ 0 0 27 -2,-3.3 7,-0.4 1,-0.3 -1,-0.2 0.705 72.3 65.3 -50.6 -25.7 34.7 -5.8 22.9 38 38 A S T 3 S+ 0 0 94 19,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.478 73.3 118.2 -77.0 -4.5 38.1 -4.5 21.9 39 39 A H X - 0 0 2 -3,-2.9 3,-1.5 1,-0.1 168,-0.0 -0.451 69.4-132.5 -64.0 131.2 37.3 -1.2 23.5 40 40 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 0.675 102.0 52.5 -64.8 -16.9 39.7 -0.6 26.4 41 41 A D T 3 S+ 0 0 0 32,-0.1 33,-3.7 35,-0.0 2,-0.3 0.479 103.4 71.4 -97.8 5.8 37.1 0.4 29.0 42 42 A L < - 0 0 9 -3,-1.5 2,-0.4 31,-0.2 31,-0.1 -0.876 55.3-164.7-123.8 150.4 35.0 -2.7 28.4 43 43 A N - 0 0 93 -2,-0.3 2,-0.8 29,-0.2 46,-0.8 -0.838 8.1-175.3-136.5 89.6 35.4 -6.4 29.2 44 44 A V E -c 89 0A 21 -2,-0.4 46,-0.2 -7,-0.4 3,-0.1 -0.826 2.7-172.8 -88.1 109.1 33.0 -8.7 27.3 45 45 A V E - 0 0 87 44,-2.0 2,-0.3 -2,-0.8 45,-0.2 0.869 59.0 -50.7 -71.8 -34.9 33.6 -12.1 28.7 46 46 A G E +c 90 0A 12 43,-1.1 45,-2.6 10,-0.1 2,-0.3 -0.940 58.6 159.0-176.8-167.1 31.4 -13.8 26.2 47 47 A G E -c 91 0A 21 -2,-0.3 2,-0.3 43,-0.3 45,-0.3 -0.973 31.3 -98.3 157.4-166.8 28.0 -13.9 24.4 48 48 A A E -c 92 0A 15 43,-1.5 45,-2.2 -2,-0.3 2,-0.5 -0.934 18.0-134.4-144.6 160.7 26.1 -15.1 21.4 49 49 A S E +c 93 0A 40 -2,-0.3 45,-0.1 43,-0.2 7,-0.1 -0.989 20.3 171.8-126.0 127.5 24.9 -13.7 18.1 50 50 A F + 0 0 78 43,-2.6 2,-0.4 -2,-0.5 44,-0.1 0.063 58.5 90.3-115.1 18.6 21.4 -14.2 16.7 51 51 A V S > S- 0 0 30 3,-0.4 3,-0.9 42,-0.2 44,-0.1 -0.955 84.3-109.2-116.1 135.1 21.8 -11.8 13.8 52 52 A A T 3 S+ 0 0 93 -2,-0.4 -2,-0.1 1,-0.2 3,-0.0 -0.293 93.4 8.0 -64.7 147.3 23.1 -13.2 10.5 53 53 A G T 3 S+ 0 0 94 1,-0.1 2,-0.5 -2,-0.0 -1,-0.2 0.286 106.8 98.1 69.4 -11.0 26.5 -12.2 9.2 54 54 A E < - 0 0 45 -3,-0.9 -3,-0.4 39,-0.1 -1,-0.1 -0.935 63.6-140.9-118.2 131.5 27.5 -10.4 12.4 55 55 A A - 0 0 51 -2,-0.5 3,-0.4 1,-0.1 -5,-0.1 -0.198 28.1-114.7 -72.2 175.6 29.6 -11.8 15.3 56 57 A Y S S+ 0 0 65 1,-0.2 -21,-0.7 -7,-0.1 -8,-0.1 0.600 105.6 64.1 -90.0 -13.3 28.6 -10.9 18.8 57 58 A N S S+ 0 0 67 -23,-0.2 2,-0.3 -21,-0.1 -19,-0.3 -0.138 88.1 75.0-107.2 44.3 31.7 -8.9 19.6 58 59 A T - 0 0 67 -3,-0.4 2,-0.5 -22,-0.2 -23,-0.3 -0.973 62.4-150.8-145.1 147.5 31.4 -6.1 17.1 59 60 A D + 0 0 14 -2,-0.3 -25,-0.2 -25,-0.2 -23,-0.1 -0.891 17.0 173.3-126.5 97.9 29.1 -3.1 17.3 60 61 A G S S+ 0 0 57 -27,-0.7 -1,-0.1 -2,-0.5 -26,-0.1 0.711 83.7 36.6 -75.0 -21.4 28.2 -1.9 13.8 61 62 A N S S- 0 0 57 -28,-0.3 -1,-0.1 35,-0.0 -2,-0.1 0.852 93.3-132.4 -96.9 -50.6 25.7 0.6 15.2 62 63 A G S > S+ 0 0 0 -29,-0.1 4,-2.1 146,-0.1 5,-0.2 -0.085 82.3 98.9 119.1 -32.9 27.1 2.0 18.5 63 64 A H H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.913 81.4 53.4 -52.8 -45.7 24.0 1.6 20.6 64 65 A G H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 108.2 45.1 -60.4 -47.3 25.4 -1.7 22.1 65 66 A T H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 142,-0.3 0.921 112.2 55.3 -65.5 -39.7 28.7 -0.5 23.3 66 67 A H H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 141,-0.4 0.935 111.2 42.1 -56.2 -53.4 27.1 2.6 24.8 67 68 A V H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.806 114.0 52.0 -64.9 -34.1 24.6 0.6 26.9 68 69 A A H >X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 3,-0.6 0.978 106.9 55.4 -66.4 -47.7 27.3 -1.9 27.9 69 70 A G H 3X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.3 -2,-0.2 0.796 102.2 54.8 -52.0 -40.2 29.4 1.1 29.0 70 71 A T H 3< S+ 0 0 8 -4,-1.4 13,-2.4 2,-0.2 -1,-0.3 0.926 114.8 40.7 -63.3 -40.8 26.7 2.4 31.3 71 72 A V H << S- 0 0 0 -4,-1.4 13,-2.9 -3,-0.6 -2,-0.2 0.947 137.6 -3.0 -73.0 -50.9 26.5 -0.9 33.1 72 73 A A H < + 0 0 6 -4,-2.6 -29,-0.2 11,-0.2 -3,-0.2 0.088 65.3 157.8-138.0 30.9 30.1 -2.0 33.4 73 74 A A < - 0 0 0 -4,-1.8 9,-2.3 -5,-0.3 -31,-0.2 -0.404 62.5 -89.7 -59.8 125.6 32.7 0.3 31.8 74 75 A L - 0 0 44 -33,-3.7 2,-1.0 7,-0.2 4,-0.3 -0.124 30.0-122.9 -40.4 128.3 35.9 -0.6 33.7 75 76 A D S S+ 0 0 73 10,-0.3 2,-0.2 -3,-0.1 -1,-0.1 -0.643 70.9 103.5 -77.0 103.3 36.8 1.2 36.8 76 77 A N S S- 0 0 56 -2,-1.0 -74,-0.1 2,-0.4 -35,-0.0 -0.597 86.4 -68.5-152.2-144.9 40.3 2.5 35.9 77 78 A T S S+ 0 0 106 -2,-0.2 2,-0.3 -76,-0.1 -2,-0.1 -0.043 103.8 62.0-116.4 28.3 42.1 5.8 34.8 78 79 A T S S- 0 0 52 -4,-0.3 -2,-0.4 2,-0.2 -76,-0.1 -0.898 93.4 -4.1-146.7 169.1 40.6 6.0 31.4 79 80 A G S S- 0 0 9 -2,-0.3 -76,-3.6 -77,-0.2 2,-0.1 -0.054 98.6 -42.0 50.8-133.0 37.2 6.5 29.7 80 81 A V - 0 0 1 -78,-0.2 2,-0.4 -76,-0.1 -4,-0.3 -0.356 55.9-114.5-113.4-166.9 34.1 6.5 31.8 81 82 A L - 0 0 16 -78,-0.2 -7,-0.2 -2,-0.1 -73,-0.2 -0.997 24.4-132.2-138.5 138.9 33.0 4.4 34.8 82 83 A G - 0 0 0 -9,-2.3 -11,-0.2 -2,-0.4 -10,-0.2 -0.503 21.1-115.2 -93.8 163.9 30.1 2.0 35.0 83 84 A V S S+ 0 0 0 -13,-2.4 -11,-0.2 1,-0.3 -12,-0.2 0.932 117.1 18.2 -57.2 -48.0 27.4 1.5 37.6 84 85 A A S > S- 0 0 0 -13,-2.9 3,-1.9 -14,-0.2 -1,-0.3 -0.641 77.0-179.5-126.7 77.4 28.7 -2.0 38.4 85 86 A P T 3 S+ 0 0 7 0, 0.0 -10,-0.3 0, 0.0 -62,-0.2 0.538 76.5 51.7 -55.8 -13.7 32.3 -1.9 37.1 86 87 A S T 3 S+ 0 0 52 -64,-3.0 -61,-0.9 -12,-0.1 -60,-0.2 0.302 80.5 123.7-108.4 8.7 33.2 -5.5 38.2 87 88 A V S < S- 0 0 15 -3,-1.9 2,-0.8 -65,-0.4 -60,-0.2 -0.139 70.8-109.6 -62.9 161.5 30.2 -7.3 36.6 88 89 A S E -a 27 0A 23 -62,-3.2 -60,-2.9 -65,-0.3 2,-0.3 -0.868 39.6-146.7 -96.9 104.5 30.7 -10.2 34.1 89 90 A L E -ac 28 44A 1 -2,-0.8 -44,-2.0 -46,-0.8 -43,-1.1 -0.572 16.0-171.1 -82.0 134.7 29.6 -8.6 30.8 90 91 A Y E -ac 29 46A 50 -62,-2.8 -60,-2.7 -2,-0.3 2,-0.6 -0.979 13.3-147.7-128.2 128.3 27.9 -10.7 28.1 91 92 A A E +ac 30 47A 0 -45,-2.6 -43,-1.5 -2,-0.4 2,-0.6 -0.868 16.6 178.5 -96.9 114.6 27.1 -9.5 24.6 92 93 A V E -ac 31 48A 0 -62,-2.0 -60,-1.5 -2,-0.6 2,-0.6 -0.893 18.7-151.8-120.4 94.2 24.0 -11.0 23.2 93 94 A K E +ac 32 49A 0 -45,-2.2 -43,-2.6 -2,-0.6 -60,-0.2 -0.611 39.2 141.8 -74.3 113.7 23.5 -9.5 19.7 94 95 A V + 0 0 1 -62,-2.7 2,-0.4 -2,-0.6 8,-0.3 0.471 58.0 62.0-127.5 -13.6 19.9 -9.4 18.7 95 96 A L S S- 0 0 6 -63,-2.9 6,-0.2 6,-0.1 2,-0.1 -0.879 77.1-135.9-115.5 143.9 19.6 -6.1 16.9 96 97 A N > - 0 0 49 4,-2.9 3,-2.2 -2,-0.4 4,-0.1 -0.310 43.9 -75.3 -87.3-172.4 21.6 -5.5 13.7 97 98 A S T 3 S+ 0 0 58 1,-0.3 -34,-0.1 2,-0.2 -64,-0.1 0.411 131.4 56.7 -65.2 -3.3 23.6 -2.4 12.8 98 99 A S T 3 S- 0 0 102 2,-0.3 -1,-0.3 -37,-0.0 3,-0.1 0.436 119.2-109.4-102.3 -8.4 20.3 -0.4 12.0 99 100 A G S < S+ 0 0 20 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.746 80.8 122.1 85.6 27.7 19.0 -1.1 15.5 100 101 A S + 0 0 74 -4,-0.1 -4,-2.9 25,-0.1 -1,-0.3 -0.896 29.7 161.9-124.2 149.1 16.4 -3.6 14.2 101 102 A G - 0 0 39 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.1 -0.951 33.1-105.6-154.3 168.9 15.8 -7.2 15.0 102 103 A S >> - 0 0 76 -8,-0.3 4,-2.1 -2,-0.3 3,-0.6 -0.617 33.8-107.7-100.7 161.5 13.1 -9.9 14.7 103 104 A Y H 3> S+ 0 0 89 1,-0.3 4,-2.5 -2,-0.2 5,-0.1 0.867 122.0 50.7 -55.8 -31.0 10.9 -11.3 17.4 104 105 A S H 3> S+ 0 0 85 2,-0.2 4,-2.4 3,-0.2 -1,-0.3 0.789 104.8 53.4 -78.0 -29.2 12.9 -14.5 17.1 105 106 A G H <> S+ 0 0 6 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.995 116.0 41.3 -65.2 -54.5 16.3 -12.9 17.4 106 107 A I H X S+ 0 0 17 -4,-2.1 4,-2.0 -12,-0.2 -2,-0.2 0.893 115.7 48.6 -56.8 -48.1 15.2 -11.3 20.6 107 108 A V H X S+ 0 0 13 -4,-2.5 4,-2.9 -5,-0.3 3,-0.3 0.951 112.3 49.5 -60.7 -44.8 13.4 -14.3 21.9 108 109 A S H X S+ 0 0 40 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.880 109.2 53.8 -60.0 -38.9 16.4 -16.5 21.1 109 110 A G H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.845 111.4 43.4 -64.8 -38.2 18.6 -14.0 22.9 110 111 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 -3,-0.3 5,-0.3 0.922 111.2 54.6 -71.9 -46.1 16.6 -14.2 26.1 111 112 A E H X S+ 0 0 116 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.821 109.8 49.1 -54.9 -35.7 16.3 -18.0 25.9 112 113 A W H X S+ 0 0 47 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.2 0.842 109.6 49.8 -70.7 -44.9 20.1 -18.1 25.7 113 114 A A H <>S+ 0 0 0 -4,-1.4 5,-2.5 2,-0.2 -2,-0.2 0.894 112.0 47.7 -64.6 -41.2 20.7 -15.8 28.7 114 115 A T H ><5S+ 0 0 14 -4,-2.6 3,-1.1 3,-0.2 -2,-0.2 0.932 115.2 45.7 -64.6 -46.5 18.3 -17.8 30.9 115 116 A T H 3<5S+ 0 0 107 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.931 112.5 52.1 -60.4 -47.7 19.9 -21.1 29.8 116 117 A N T 3<5S- 0 0 82 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.274 118.3-104.3 -76.9 8.1 23.5 -19.7 30.3 117 118 A G T < 5 + 0 0 39 -3,-1.1 -90,-0.2 1,-0.2 -3,-0.2 0.711 52.5 171.7 81.2 21.5 22.9 -18.4 33.9 118 119 A M < - 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