==== 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 19-SEP-97 1AVT . 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) . 9774.0 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 . 35 12.8 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 . 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 . 25 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.9 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 1 3 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 0 110 0, 0.0 2,-0.6 0, 0.0 78,-0.3 0.000 360.0 360.0 360.0 -9.7 41.9 10.7 33.3 2 2 A Q - 0 0 42 76,-0.2 2,-0.3 74,-0.1 78,-0.2 -0.841 360.0-145.6 -96.7 123.3 38.7 8.7 34.0 3 3 A T - 0 0 67 76,-3.4 78,-0.4 -2,-0.6 75,-0.1 -0.628 2.6-147.4 -84.9 138.5 35.4 10.6 33.6 4 4 A V - 0 0 74 -2,-0.3 78,-0.1 76,-0.2 76,-0.1 -0.935 20.0-134.2-107.6 108.1 32.5 9.9 36.0 5 5 A P > - 0 0 13 0, 0.0 3,-1.9 0, 0.0 199,-0.1 -0.348 22.1-114.6 -59.3 145.3 29.2 10.3 34.1 6 6 A Y T 3> S+ 0 0 67 1,-0.3 4,-1.9 2,-0.2 198,-0.1 0.752 109.8 68.4 -53.8 -31.4 26.6 12.3 36.1 7 7 A G H 3> S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.776 88.6 64.5 -61.1 -30.4 24.3 9.3 36.3 8 8 A I H <4>S+ 0 0 2 -3,-1.9 5,-2.3 1,-0.2 6,-0.7 0.960 111.2 33.6 -60.8 -54.2 26.7 7.3 38.6 9 9 A P H >45S+ 0 0 54 0, 0.0 3,-0.9 0, 0.0 -2,-0.2 0.848 112.0 64.1 -72.2 -29.6 26.5 9.8 41.6 10 10 A L H 3<5S+ 0 0 39 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.838 110.5 36.5 -60.7 -37.1 22.8 10.7 40.8 11 11 A I T 3<5S- 0 0 0 -4,-1.5 258,-2.7 -3,-0.3 259,-0.5 0.364 116.0-117.6 -94.7 3.4 21.6 7.1 41.6 12 12 A K T <>5 + 0 0 71 -3,-0.9 4,-1.1 -4,-0.2 3,-0.3 0.755 68.8 141.2 64.2 33.5 24.3 6.9 44.4 13 13 A A H >< + 0 0 0 -5,-2.3 4,-2.7 -6,-0.3 5,-0.2 0.820 68.4 61.5 -70.2 -32.2 26.2 4.0 42.7 14 14 A D H > S+ 0 0 61 -6,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.850 98.7 55.9 -63.9 -32.5 29.4 5.7 43.9 15 15 A K H > S+ 0 0 90 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.883 112.1 42.4 -66.7 -39.4 28.3 5.3 47.5 16 16 A V H <>S+ 0 0 0 -4,-1.1 5,-1.9 2,-0.2 3,-0.5 0.904 112.2 52.0 -74.4 -41.8 27.9 1.5 47.0 17 17 A Q H ><5S+ 0 0 13 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.884 106.0 57.3 -60.7 -36.0 31.1 1.1 45.0 18 18 A A H 3<5S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.821 98.3 59.0 -63.9 -32.5 32.8 3.0 47.9 19 19 A Q T 3<5S- 0 0 88 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.507 128.7-101.4 -73.0 -6.3 31.6 0.3 50.3 20 20 A G T < 5S+ 0 0 53 -3,-1.5 2,-0.6 -4,-0.3 -3,-0.2 0.503 83.8 126.7 98.9 5.6 33.5 -2.1 48.1 21 21 A F < + 0 0 63 -5,-1.9 -1,-0.2 1,-0.1 -2,-0.2 -0.868 15.4 152.0-102.4 117.8 30.6 -3.6 46.1 22 22 A K - 0 0 54 -2,-0.6 64,-2.3 62,-0.1 65,-0.4 0.259 69.4 -90.6-128.1 15.3 31.1 -3.4 42.3 23 23 A G > + 0 0 0 209,-0.2 3,-2.1 1,-0.2 65,-0.3 0.593 58.2 179.7 86.7 14.2 29.1 -6.3 40.9 24 24 A A T 3 + 0 0 65 1,-0.3 63,-0.2 63,-0.2 -1,-0.2 -0.210 69.7 1.9 -54.8 128.3 32.0 -8.8 40.9 25 25 A N T 3 S+ 0 0 124 61,-0.9 2,-0.5 1,-0.2 -1,-0.3 0.674 93.9 130.2 69.0 16.2 30.9 -12.2 39.6 26 26 A V < - 0 0 7 -3,-2.1 62,-2.7 60,-0.2 2,-0.6 -0.900 55.9-135.1 -97.3 132.2 27.3 -11.1 38.8 27 27 A K E -a 88 0A 49 -2,-0.5 92,-2.3 90,-0.2 93,-1.9 -0.831 25.3-177.8 -94.1 118.4 26.5 -12.1 35.2 28 28 A V E -ab 89 120A 0 60,-2.5 62,-2.5 -2,-0.6 2,-0.5 -0.968 10.1-160.0-119.7 123.9 24.9 -9.4 33.1 29 29 A A E -ab 90 121A 0 91,-2.6 93,-2.8 -2,-0.5 2,-0.7 -0.897 5.4-154.2-105.6 130.2 23.8 -9.9 29.5 30 30 A V E -ab 91 122A 2 60,-2.7 62,-2.4 -2,-0.5 2,-1.1 -0.899 5.5-157.9-103.2 107.1 23.2 -6.9 27.3 31 31 A L E +ab 92 123A 0 91,-2.4 93,-0.5 -2,-0.7 62,-0.2 -0.787 52.3 98.0 -87.3 100.0 20.7 -7.8 24.6 32 32 A D E S-a 93 0A 0 60,-1.5 62,-2.4 -2,-1.1 63,-2.0 -0.587 89.5 -43.9-153.8-148.9 21.6 -5.2 21.9 33 33 A T S S- 0 0 0 1,-0.4 27,-0.5 60,-0.2 28,-0.3 0.188 93.0 -93.8 -85.0 14.8 23.5 -4.4 18.7 34 34 A G - 0 0 2 58,-0.3 -1,-0.4 -4,-0.2 2,-0.3 -0.493 42.5 -96.4 98.0-174.9 26.6 -6.3 20.0 35 35 A I - 0 0 1 21,-1.3 2,-1.9 23,-0.3 3,-0.1 -0.991 21.8-118.0-145.0 139.4 29.5 -4.7 21.9 36 36 A Q > - 0 0 18 -2,-0.3 3,-2.6 1,-0.2 22,-0.2 -0.606 34.8-172.5 -78.4 83.9 32.9 -3.6 20.5 37 37 A A T 3 S+ 0 0 32 -2,-1.9 7,-0.4 20,-0.6 -1,-0.2 0.774 77.1 63.2 -50.4 -31.6 34.8 -6.1 22.7 38 38 A S T 3 S+ 0 0 92 19,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.549 71.9 121.9 -74.9 -6.2 38.1 -4.6 21.7 39 39 A H X - 0 0 3 -3,-2.6 3,-1.8 1,-0.2 168,-0.0 -0.343 67.5-132.4 -58.3 132.0 37.3 -1.2 23.4 40 40 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 38,-0.0 0.753 102.4 52.7 -60.0 -22.8 40.0 -0.5 26.0 41 41 A D T 3 S+ 0 0 0 32,-0.1 33,-2.6 35,-0.0 2,-0.3 0.292 101.8 67.8 -98.9 13.5 37.4 0.3 28.6 42 42 A L < - 0 0 9 -3,-1.8 2,-0.5 31,-0.2 31,-0.1 -0.965 56.5-160.1-134.8 144.9 35.2 -2.8 28.4 43 43 A N - 0 0 96 -2,-0.3 46,-0.7 29,-0.3 2,-0.5 -0.911 12.2-167.9-126.1 101.8 35.8 -6.5 29.2 44 44 A V E -c 89 0A 22 -2,-0.5 46,-0.2 -7,-0.4 3,-0.1 -0.810 5.6-170.6 -92.2 123.3 33.4 -8.8 27.4 45 45 A V E - 0 0 73 44,-3.2 2,-0.3 -2,-0.5 45,-0.2 0.874 58.6 -50.9 -80.0 -42.9 33.4 -12.3 28.8 46 46 A G E +c 90 0A 13 43,-1.0 45,-2.4 10,-0.1 2,-0.3 -0.911 57.9 160.9-170.8-163.4 31.3 -14.1 26.2 47 47 A G E -c 91 0A 20 -2,-0.3 2,-0.3 43,-0.3 45,-0.3 -0.973 27.1-112.1 157.6-167.8 28.0 -13.9 24.3 48 48 A A E -c 92 0A 17 43,-1.4 45,-2.4 -2,-0.3 2,-0.5 -0.968 14.7-134.5-157.9 155.6 26.1 -15.1 21.2 49 49 A S E +c 93 0A 37 -2,-0.3 45,-0.2 43,-0.2 7,-0.1 -0.984 18.0 175.9-122.9 125.7 24.8 -13.6 18.1 50 50 A F + 0 0 76 43,-3.0 2,-0.5 -2,-0.5 44,-0.1 0.031 59.8 97.4-111.0 22.4 21.3 -14.3 16.7 51 51 A V S > S- 0 0 26 3,-0.4 3,-1.2 42,-0.2 2,-0.1 -0.954 82.8-109.9-113.9 130.2 21.7 -11.8 13.9 52 52 A A T 3 S+ 0 0 99 -2,-0.5 -2,-0.1 1,-0.2 3,-0.1 -0.346 93.5 3.6 -64.1 129.1 22.8 -13.1 10.5 53 53 A G T 3 S+ 0 0 91 1,-0.1 2,-0.4 -2,-0.1 -1,-0.2 0.309 106.8 96.3 82.9 -5.7 26.3 -12.2 9.3 54 54 A E < - 0 0 45 -3,-1.2 -3,-0.4 39,-0.1 -1,-0.1 -0.953 64.3-137.5-122.2 133.6 27.5 -10.4 12.5 55 55 A A > - 0 0 52 -2,-0.4 3,-0.7 1,-0.1 -5,-0.1 -0.393 27.0-115.7 -78.1 165.3 29.5 -11.9 15.3 56 57 A Y T 3 S+ 0 0 71 1,-0.2 -21,-1.3 -7,-0.1 -8,-0.1 0.789 107.4 62.7 -73.6 -27.5 28.5 -10.9 18.9 57 58 A N T 3 S+ 0 0 66 -23,-0.2 -20,-0.6 -21,-0.1 -19,-0.4 -0.014 91.7 72.7 -91.1 27.8 31.8 -9.1 19.7 58 59 A T < - 0 0 67 -3,-0.7 2,-0.4 -22,-0.2 -23,-0.3 -0.954 61.1-159.0-134.3 151.2 31.5 -6.4 17.0 59 60 A D + 0 0 14 -2,-0.3 -25,-0.1 -25,-0.2 -23,-0.1 -0.887 13.2 175.5-136.3 103.8 29.1 -3.4 17.1 60 61 A G S S+ 0 0 61 -27,-0.5 -1,-0.1 -2,-0.4 -26,-0.1 0.474 82.4 42.8 -86.7 -0.3 28.4 -1.8 13.8 61 62 A N S S- 0 0 56 -28,-0.3 -1,-0.1 35,-0.0 36,-0.1 0.813 90.4-134.9-108.0 -54.2 25.9 0.6 15.3 62 63 A G S > S+ 0 0 0 -29,-0.1 4,-2.1 -28,-0.1 5,-0.2 -0.047 79.5 98.5 119.5 -31.3 27.2 1.9 18.6 63 64 A H H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 83.5 48.0 -54.2 -49.7 24.1 1.6 20.7 64 65 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.879 111.3 49.1 -62.9 -41.0 25.2 -1.7 22.3 65 66 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 142,-0.3 0.889 112.5 49.7 -65.1 -38.0 28.6 -0.6 23.2 66 67 A H H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 141,-0.3 0.938 112.0 46.7 -67.4 -47.4 27.1 2.6 24.8 67 68 A V H >X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 3,-0.5 0.938 112.3 51.8 -61.7 -43.4 24.6 0.6 26.8 68 69 A A H 3X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.837 104.9 55.6 -62.8 -36.3 27.3 -1.8 28.0 69 70 A G H 3X S+ 0 0 1 -4,-1.8 4,-2.2 138,-0.3 -1,-0.2 0.814 103.6 54.1 -68.5 -29.9 29.6 1.0 29.1 70 71 A T H << S+ 0 0 6 -4,-1.3 13,-2.4 -3,-0.5 14,-0.2 0.893 115.8 39.9 -70.2 -37.7 26.9 2.4 31.4 71 72 A V H < S+ 0 0 0 -4,-1.5 13,-3.0 11,-0.2 -2,-0.2 0.974 139.3 1.6 -72.7 -49.3 26.5 -1.0 33.1 72 73 A A H < + 0 0 4 -4,-3.1 -29,-0.3 10,-0.2 -3,-0.2 0.110 65.2 156.5-136.4 26.4 30.2 -1.9 33.2 73 74 A A < - 0 0 0 -4,-2.2 9,-2.3 1,-0.1 -31,-0.2 -0.340 58.8 -97.5 -54.5 131.7 32.9 0.5 31.9 74 75 A L - 0 0 51 -33,-2.6 2,-1.0 7,-0.2 4,-0.3 -0.225 26.2-122.9 -56.1 135.4 36.1 -0.6 33.7 75 76 A D S S+ 0 0 83 10,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.701 70.1 105.5 -81.5 102.9 37.2 1.3 36.8 76 77 A N S S- 0 0 63 -2,-1.0 -74,-0.1 2,-0.3 -35,-0.0 -0.618 86.5 -68.8-150.7-146.5 40.6 2.5 35.9 77 78 A T S S+ 0 0 103 -2,-0.2 2,-0.3 -76,-0.1 -2,-0.1 -0.007 102.5 60.6-114.3 33.3 42.3 5.7 34.8 78 79 A T S S- 0 0 61 -4,-0.3 -2,-0.3 2,-0.2 -76,-0.2 -0.957 91.9 -4.2-151.3 164.4 40.7 6.1 31.5 79 80 A G S S- 0 0 8 -2,-0.3 -76,-3.4 -78,-0.3 2,-0.2 -0.223 98.5 -36.0 59.6-129.6 37.4 6.6 29.7 80 81 A V - 0 0 1 -78,-0.2 2,-0.4 -39,-0.1 -4,-0.3 -0.555 53.2-115.2-120.3-175.7 34.3 6.4 31.9 81 82 A L - 0 0 13 -78,-0.4 -7,-0.2 -2,-0.2 -73,-0.1 -0.997 24.1-140.7-129.2 133.2 33.1 4.5 34.9 82 83 A G - 0 0 0 -9,-2.3 -11,-0.2 -2,-0.4 -10,-0.2 -0.372 24.2-113.6 -86.3 167.6 30.2 2.0 34.9 83 84 A V S S+ 0 0 0 -13,-2.4 -11,-0.2 1,-0.3 -12,-0.2 0.883 116.8 20.6 -65.9 -38.5 27.6 1.5 37.6 84 85 A A S > S+ 0 0 0 -13,-3.0 3,-1.9 -14,-0.2 -1,-0.3 -0.625 74.6 175.7-132.6 72.5 28.9 -2.1 38.3 85 86 A P T 3 S+ 0 0 7 0, 0.0 -10,-0.2 0, 0.0 -62,-0.1 0.610 75.3 54.6 -55.8 -15.5 32.5 -2.0 36.9 86 87 A S T 3 S+ 0 0 55 -64,-2.3 -61,-0.9 -12,-0.1 -63,-0.2 0.305 79.2 124.2-103.6 6.5 33.3 -5.6 38.1 87 88 A V S < S- 0 0 11 -3,-1.9 2,-0.9 -65,-0.4 -60,-0.2 -0.239 70.4-112.9 -66.1 152.2 30.4 -7.4 36.4 88 89 A S E -a 27 0A 26 -62,-2.7 -60,-2.5 -65,-0.3 2,-0.4 -0.846 42.8-149.0 -86.2 108.2 30.9 -10.4 34.1 89 90 A L E -ac 28 44A 1 -2,-0.9 -44,-3.2 -46,-0.7 -43,-1.0 -0.704 16.4-170.8 -91.3 128.5 29.7 -8.8 30.8 90 91 A Y E -ac 29 46A 48 -62,-2.5 -60,-2.7 -2,-0.4 2,-0.6 -0.974 13.0-148.0-121.6 129.3 28.0 -10.8 28.1 91 92 A A E -ac 30 47A 0 -45,-2.4 -43,-1.4 -2,-0.4 2,-0.6 -0.861 15.0-177.5 -97.0 115.3 27.2 -9.5 24.6 92 93 A V E -ac 31 48A 0 -62,-2.4 -60,-1.5 -2,-0.6 2,-0.8 -0.917 17.1-149.2-115.1 101.2 24.0 -11.0 23.2 93 94 A K E +ac 32 49A 0 -45,-2.4 -43,-3.0 -2,-0.6 -60,-0.2 -0.612 41.2 142.4 -76.4 109.5 23.5 -9.6 19.7 94 95 A V + 0 0 2 -62,-2.4 2,-0.4 -2,-0.8 8,-0.2 0.376 59.9 63.9-122.6 -6.1 19.8 -9.5 18.9 95 96 A L S S- 0 0 8 -63,-2.0 6,-0.2 6,-0.1 -44,-0.1 -0.956 78.0-130.9-121.6 139.3 19.7 -6.2 16.9 96 97 A N > - 0 0 52 4,-2.8 3,-2.4 -2,-0.4 -2,-0.1 -0.217 40.6 -85.3 -79.3-179.7 21.5 -5.6 13.6 97 98 A S T 3 S+ 0 0 53 1,-0.3 -34,-0.1 2,-0.1 -1,-0.1 0.608 128.9 59.5 -62.7 -14.4 23.8 -2.7 12.8 98 99 A S T 3 S- 0 0 104 2,-0.2 -1,-0.3 -37,-0.0 3,-0.1 0.403 119.8-110.6 -92.0 -0.8 20.7 -0.6 11.8 99 100 A G S < S+ 0 0 25 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.596 80.1 112.6 84.2 14.6 19.4 -1.1 15.3 100 101 A S + 0 0 74 25,-0.1 -4,-2.8 -67,-0.0 2,-0.3 -0.838 37.2 176.2-120.5 154.6 16.5 -3.4 14.4 101 102 A G - 0 0 35 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.1 -0.983 28.5-106.1-152.8 161.5 15.7 -7.0 15.2 102 103 A S > - 0 0 67 -2,-0.3 4,-2.3 -8,-0.2 5,-0.2 -0.582 29.2-119.7 -88.8 154.7 13.1 -9.8 14.9 103 104 A Y H > S+ 0 0 92 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.915 116.4 52.5 -56.3 -44.5 10.9 -11.1 17.7 104 105 A S H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.894 107.7 50.9 -61.3 -39.1 12.4 -14.5 17.2 105 106 A G H > S+ 0 0 8 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 113.4 45.0 -63.9 -44.3 15.9 -13.2 17.4 106 107 A I H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 3,-0.3 0.960 111.7 51.7 -63.2 -50.0 15.1 -11.4 20.7 107 108 A V H X S+ 0 0 13 -4,-3.1 4,-2.6 1,-0.3 -2,-0.2 0.905 109.2 51.6 -54.8 -43.2 13.3 -14.4 22.1 108 109 A S H X S+ 0 0 51 -4,-2.4 4,-2.4 1,-0.2 -1,-0.3 0.863 108.3 51.9 -61.6 -39.6 16.4 -16.5 21.3 109 110 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.3 -1,-0.2 0.872 110.1 48.2 -64.5 -37.9 18.6 -14.0 23.1 110 111 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.927 112.9 47.6 -67.9 -46.5 16.4 -14.2 26.2 111 112 A E H X S+ 0 0 112 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.903 110.0 53.8 -62.0 -41.3 16.4 -18.0 26.2 112 113 A W H X S+ 0 0 51 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.936 111.5 44.5 -57.5 -50.0 20.1 -18.0 25.7 113 114 A A H <>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 -1,-0.2 0.869 114.4 48.8 -64.2 -37.3 20.7 -15.8 28.8 114 115 A T H ><5S+ 0 0 11 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.961 115.5 45.0 -66.8 -46.9 18.2 -17.8 30.8 115 116 A T H 3<5S+ 0 0 108 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.828 110.8 53.5 -65.0 -36.5 19.9 -21.0 29.8 116 117 A N T 3<5S- 0 0 84 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.235 116.8-106.5 -89.1 15.9 23.4 -19.7 30.4 117 118 A G T < 5 + 0 0 40 -3,-1.3 -90,-0.2 1,-0.2 -3,-0.2 0.835 52.1 172.5 68.7 38.3 22.8 -18.6 33.9 118 119 A M < - 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