==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 30-MAY-97 1AK9 . COMPND 2 MOLECULE: SUBTILISIN 8321; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR M.WHITLOW,A.J.HOWARD,J.F.WOOD . 275 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10172.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.8 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 23.6 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 1 2 0 1 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 2 2 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 . 5 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 0 117 0, 0.0 79,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 160.2 -9.9 60.4 32.3 2 2 A Q - 0 0 46 77,-0.2 2,-0.4 75,-0.2 79,-0.2 -0.698 360.0-158.9 -93.1 138.3 -6.4 59.1 31.5 3 3 A S - 0 0 79 77,-3.0 79,-0.2 -2,-0.3 76,-0.0 -0.938 14.4-135.7-114.8 140.6 -4.0 58.2 34.2 4 4 A V - 0 0 67 -2,-0.4 77,-0.1 77,-0.2 79,-0.1 -0.920 26.9-126.0 -97.4 117.1 -0.2 58.1 33.6 5 5 A P >> - 0 0 15 0, 0.0 3,-1.5 0, 0.0 4,-1.2 -0.313 22.0-116.3 -57.7 143.4 1.2 54.9 35.3 6 6 A Y H 3> S+ 0 0 75 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.803 112.6 61.3 -49.0 -42.8 4.0 55.7 37.7 7 7 A G H 3> S+ 0 0 1 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.750 97.5 55.4 -59.4 -35.8 6.4 53.7 35.6 8 8 A V H <4>S+ 0 0 2 -3,-1.5 5,-1.7 2,-0.2 4,-0.2 0.920 113.6 41.7 -64.4 -49.5 6.0 55.9 32.4 9 9 A S H ><5S+ 0 0 62 -4,-1.2 3,-1.7 1,-0.2 -2,-0.2 0.889 107.9 62.3 -61.3 -39.5 6.9 59.0 34.4 10 10 A Q H 3<5S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.840 105.6 44.6 -60.7 -39.3 9.7 57.2 36.2 11 11 A I T 3<5S- 0 0 0 -4,-1.4 259,-2.8 -3,-0.2 260,-0.6 0.448 115.5-117.6 -84.6 3.2 11.6 56.5 33.0 12 12 A K T X>5 + 0 0 89 -3,-1.7 3,-0.8 -4,-0.2 4,-0.6 0.656 66.3 142.0 71.0 23.2 11.0 60.1 31.9 13 13 A A H >>< + 0 0 0 -5,-1.7 4,-2.2 1,-0.2 3,-1.6 0.900 60.7 67.3 -59.1 -39.7 8.9 59.3 28.7 14 14 A P H 3> S+ 0 0 39 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.817 91.5 63.4 -54.4 -31.1 6.5 62.2 29.1 15 15 A A H <> S+ 0 0 27 -3,-0.8 4,-0.6 2,-0.2 -2,-0.2 0.868 106.6 43.4 -59.4 -45.4 9.3 64.7 28.4 16 16 A L H XX>S+ 0 0 2 -3,-1.6 5,-2.4 -4,-0.6 3,-1.5 0.920 109.0 57.3 -67.1 -42.0 9.6 63.2 24.9 17 17 A H H ><5S+ 0 0 34 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.854 103.7 55.0 -53.2 -40.7 5.9 63.1 24.5 18 18 A S H 3<5S+ 0 0 111 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.713 104.2 53.0 -65.0 -32.6 5.9 66.9 25.2 19 19 A Q H <<5S- 0 0 114 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.472 125.9 -99.3 -78.8 -14.8 8.4 67.4 22.4 20 20 A G T <<5S+ 0 0 56 -3,-1.1 2,-0.6 -4,-0.7 -3,-0.2 0.520 84.0 129.6 102.3 13.2 6.2 65.6 19.9 21 21 A Y < + 0 0 74 -5,-2.4 -1,-0.3 1,-0.1 -2,-0.2 -0.880 11.3 140.7-102.7 117.9 8.1 62.3 20.1 22 22 A a S S- 0 0 23 -2,-0.6 65,-2.5 63,-0.1 66,-0.5 0.324 76.2 -87.5-141.2 14.3 5.8 59.3 20.7 23 23 A G > + 0 0 0 210,-0.3 3,-2.2 209,-0.2 66,-0.4 0.556 59.7 178.0 89.0 18.8 7.1 56.4 18.5 24 24 A S T 3 + 0 0 55 1,-0.3 -1,-0.2 64,-0.2 64,-0.2 -0.230 69.8 6.8 -58.5 134.8 5.3 57.2 15.3 25 25 A N T 3 S+ 0 0 144 62,-0.7 2,-0.5 1,-0.3 -1,-0.3 0.598 95.0 128.2 70.7 12.9 6.1 54.9 12.4 26 26 A V < - 0 0 8 -3,-2.2 63,-3.1 61,-0.2 2,-0.6 -0.916 54.3-140.8 -99.6 130.5 8.2 52.6 14.7 27 27 A K E -a 89 0A 70 -2,-0.5 93,-2.2 91,-0.2 94,-2.1 -0.835 21.8-175.6 -96.9 119.3 7.1 49.0 14.4 28 28 A V E -ab 90 121A 0 61,-3.3 63,-2.6 -2,-0.6 2,-0.5 -0.975 11.0-155.6-118.4 128.4 7.1 47.1 17.7 29 29 A A E -ab 91 122A 0 92,-2.8 94,-2.9 -2,-0.5 2,-0.9 -0.840 3.2-157.4-103.2 124.7 6.3 43.5 18.0 30 30 A V E -ab 92 123A 0 61,-3.1 63,-2.1 -2,-0.5 2,-0.9 -0.891 9.8-161.8 -96.7 106.4 5.0 42.1 21.3 31 31 A I E +ab 93 124A 0 92,-2.5 94,-0.6 -2,-0.9 2,-0.2 -0.791 52.9 88.6 -93.8 106.5 5.9 38.4 21.2 32 32 A D E S-a 94 0A 0 61,-2.0 63,-3.0 -2,-0.9 64,-1.8 -0.703 93.6 -33.3-169.0-149.7 3.5 37.1 23.9 33 33 A S S S- 0 0 1 1,-0.3 28,-0.4 -2,-0.2 29,-0.4 0.226 94.8 -90.3 -87.1 18.0 -0.0 35.8 24.5 34 34 A G - 0 0 1 59,-0.3 2,-0.4 -4,-0.3 -1,-0.3 -0.305 40.4 -97.9 98.0 176.1 -1.7 38.0 21.8 35 35 A I - 0 0 0 22,-1.8 2,-1.3 30,-0.1 57,-0.1 -0.999 25.9-121.3-134.5 130.8 -3.2 41.5 22.1 36 36 A D > - 0 0 21 -2,-0.4 3,-1.7 1,-0.2 23,-0.2 -0.644 28.0-170.1 -72.9 102.4 -6.9 42.2 22.6 37 37 A S T 3 S+ 0 0 57 21,-1.3 7,-0.3 -2,-1.3 -1,-0.2 0.580 77.8 68.8 -74.1 -7.0 -7.4 44.3 19.5 38 38 A S T 3 S+ 0 0 86 20,-0.4 -1,-0.3 5,-0.1 -2,-0.1 0.538 70.8 117.3 -84.0 -12.2 -10.9 45.3 20.7 39 39 A H X - 0 0 2 -3,-1.7 3,-1.9 1,-0.2 169,-0.0 -0.422 64.5-141.7 -61.9 128.0 -9.5 47.3 23.6 40 40 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 39,-0.1 0.598 98.6 54.7 -61.5 -19.5 -10.4 51.0 23.2 41 41 A D T 3 S+ 0 0 0 33,-0.1 34,-2.8 36,-0.0 2,-0.3 0.262 102.7 65.8-102.6 11.7 -7.0 52.1 24.5 42 42 A L < - 0 0 9 -3,-1.9 2,-0.4 32,-0.2 32,-0.1 -0.969 57.8-158.8-131.5 151.1 -4.9 50.1 22.0 43 43 A K - 0 0 156 -2,-0.3 47,-0.8 30,-0.3 2,-0.5 -0.957 11.8-165.3-130.8 106.4 -4.4 50.2 18.2 44 44 A V E -c 90 0A 25 -2,-0.4 47,-0.2 -7,-0.3 3,-0.1 -0.870 6.2-174.1 -91.9 128.1 -3.0 46.9 16.8 45 45 A A E - 0 0 60 45,-2.8 2,-0.3 -2,-0.5 46,-0.2 0.671 59.3 -45.8 -92.1 -27.2 -1.6 47.3 13.3 46 46 A G E +c 91 0A 14 44,-1.1 46,-2.3 11,-0.0 2,-0.3 -0.926 59.0 152.3 178.3-169.3 -0.9 43.7 12.5 47 47 A G E -c 92 0A 25 -2,-0.3 2,-0.3 44,-0.3 46,-0.2 -0.862 27.8-117.1 146.8-173.6 0.6 40.4 13.7 48 48 A A E -c 93 0A 19 44,-1.7 46,-2.1 -2,-0.3 2,-0.5 -0.971 15.7-125.3-160.8 152.1 0.4 36.7 13.4 49 49 A S E +c 94 0A 29 6,-0.3 46,-0.2 -2,-0.3 44,-0.1 -0.959 19.3 176.0-112.7 131.8 -0.3 33.7 15.6 50 50 A F + 0 0 51 44,-3.8 45,-0.2 -2,-0.5 5,-0.1 0.260 53.6 105.0-111.5 11.1 2.1 30.8 15.9 51 51 A V B > -J 54 0B 4 3,-0.5 3,-1.5 43,-0.4 45,-0.1 -0.848 65.3-147.7 -93.1 117.9 0.1 28.9 18.5 52 52 A P T 3 S+ 0 0 91 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.813 94.8 41.0 -59.7 -37.2 -1.5 26.0 16.6 53 53 A S T 3 S+ 0 0 107 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.464 114.7 52.5 -91.1 -2.3 -4.7 25.9 18.7 54 54 A E B < +J 51 0B 34 -3,-1.5 -3,-0.5 1,-0.1 -1,-0.2 -0.767 61.4 169.7-136.5 84.2 -5.2 29.7 18.9 55 55 A T + 0 0 121 -2,-0.3 -6,-0.3 -3,-0.2 -1,-0.1 0.563 54.2 81.8 -76.2 -12.2 -5.0 31.1 15.3 56 56 A N > - 0 0 63 1,-0.1 3,-1.3 -8,-0.1 -1,-0.1 -0.865 55.7-167.8-100.8 114.3 -6.2 34.6 16.0 57 57 A P T 3 S+ 0 0 12 0, 0.0 -22,-1.8 0, 0.0 -1,-0.1 0.604 84.8 65.4 -71.3 -15.4 -3.4 36.9 17.3 58 58 A F T 3 S+ 0 0 65 -24,-0.2 -21,-1.3 -22,-0.1 2,-0.5 0.215 85.1 79.6 -95.6 11.1 -6.0 39.5 18.3 59 59 A Q < - 0 0 104 -3,-1.3 2,-0.7 -23,-0.2 -23,-0.1 -0.993 62.0-167.2-115.7 120.6 -7.7 37.4 21.0 60 60 A D + 0 0 10 -2,-0.5 -26,-0.1 -26,-0.1 -24,-0.1 -0.914 14.0 171.4-113.3 102.7 -5.7 37.3 24.3 61 61 A N S S+ 0 0 90 -2,-0.7 -1,-0.1 -28,-0.4 -27,-0.1 0.342 78.6 49.1 -85.9 -3.8 -7.1 34.6 26.5 62 62 A N S S- 0 0 49 -29,-0.4 -1,-0.1 34,-0.1 -28,-0.1 0.845 90.6-139.4 -99.2 -54.8 -4.3 35.0 29.1 63 63 A S S > S+ 0 0 26 -30,-0.1 4,-1.7 -29,-0.1 5,-0.1 -0.100 78.3 97.7 110.6 -18.0 -4.2 38.8 29.7 64 64 A H H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 80.5 48.3 -62.5 -49.1 -0.4 39.0 29.8 65 65 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.886 111.4 50.4 -62.9 -37.6 0.2 40.1 26.2 66 66 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 142,-0.4 0.901 110.8 50.0 -66.7 -37.1 -2.5 42.9 26.4 67 67 A H H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 141,-0.4 0.974 112.4 46.0 -67.6 -45.5 -0.9 44.1 29.7 68 68 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.3 3,-0.4 0.923 111.9 53.3 -60.9 -47.0 2.6 44.2 28.1 69 69 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.3 -1,-0.3 0.867 104.4 53.3 -62.0 -40.8 1.2 45.9 25.0 70 70 A G H X S+ 0 0 1 -4,-2.2 4,-2.2 138,-0.3 -1,-0.3 0.824 105.9 55.0 -65.6 -28.0 -0.5 48.7 27.0 71 71 A T H < S+ 0 0 6 -4,-1.6 13,-2.9 -3,-0.4 14,-0.2 0.932 114.4 40.4 -67.8 -41.3 2.9 49.5 28.7 72 72 A V H < S- 0 0 0 -4,-2.0 13,-3.4 11,-0.2 -2,-0.2 0.933 140.5 -3.0 -64.7 -52.1 4.5 49.9 25.3 73 73 A A H < + 0 0 3 -4,-3.3 -30,-0.3 10,-0.2 -3,-0.2 0.205 63.7 157.9-146.5 35.2 1.6 51.8 23.6 74 74 A A < - 0 0 0 -4,-2.2 9,-2.7 -5,-0.2 -32,-0.2 -0.339 58.5 -97.9 -53.1 134.7 -1.7 52.5 25.4 75 75 A L - 0 0 49 -34,-2.8 2,-1.0 7,-0.2 4,-0.2 -0.279 21.2-118.8 -67.6 154.7 -3.0 55.4 23.4 76 76 A N S S+ 0 0 106 10,-0.3 2,-0.2 -3,-0.1 6,-0.1 -0.779 72.0 105.6 -88.6 100.9 -2.7 59.0 24.3 77 77 A N S S- 0 0 59 -2,-1.0 -75,-0.2 2,-0.4 -36,-0.0 -0.592 87.1 -73.2-152.6-150.0 -6.4 60.0 24.7 78 78 A S S S+ 0 0 88 -2,-0.2 2,-0.3 -77,-0.1 -2,-0.1 0.159 101.9 75.0-109.8 15.1 -8.8 60.8 27.5 79 79 A I S S- 0 0 61 2,-0.2 -2,-0.4 -4,-0.2 -77,-0.2 -0.894 92.2 -26.4-126.6 160.0 -9.3 57.2 28.6 80 80 A G S S- 0 0 15 -79,-0.4 -77,-3.0 -2,-0.3 2,-0.2 -0.148 94.4 -26.7 53.7-120.6 -7.3 54.6 30.5 81 81 A V - 0 0 8 -79,-0.2 2,-0.4 -40,-0.1 -4,-0.3 -0.400 52.7-114.4-120.9-166.9 -3.6 54.7 30.6 82 82 A L - 0 0 10 -79,-0.2 -7,-0.2 -2,-0.2 -74,-0.1 -0.994 20.8-140.0-142.0 126.4 -0.6 55.9 28.6 83 83 A G - 0 0 0 -9,-2.7 -11,-0.2 -2,-0.4 -10,-0.2 -0.356 26.7-113.7 -77.8 169.8 2.1 53.9 26.9 84 84 A V S S+ 0 0 0 -13,-2.9 -11,-0.2 1,-0.3 -12,-0.2 0.874 117.5 20.7 -65.8 -45.5 5.7 54.7 26.7 85 85 A A S > S+ 0 0 0 -13,-3.4 3,-1.8 -14,-0.2 -1,-0.3 -0.770 75.7 177.0-129.5 77.5 5.4 55.2 22.9 86 86 A P T 3 S+ 0 0 8 0, 0.0 -10,-0.3 0, 0.0 -63,-0.2 0.564 76.8 51.4 -59.8 -12.2 1.7 55.8 22.3 87 87 A a T 3 S+ 0 0 55 -65,-2.5 -62,-0.7 -12,-0.1 -61,-0.2 0.217 82.8 123.5-107.3 5.3 2.0 56.4 18.6 88 88 A A S < S- 0 0 12 -3,-1.8 2,-0.8 -66,-0.5 -61,-0.2 -0.319 71.2-111.8 -67.6 158.9 4.0 53.2 17.8 89 89 A S E -a 27 0A 36 -63,-3.1 -61,-3.3 -66,-0.4 2,-0.4 -0.828 39.6-152.4 -93.6 110.7 2.8 50.6 15.3 90 90 A L E -ac 28 44A 1 -2,-0.8 -45,-2.8 -47,-0.8 -44,-1.1 -0.760 12.0-168.0 -94.1 126.9 1.9 47.6 17.6 91 91 A Y E -ac 29 46A 39 -63,-2.6 -61,-3.1 -2,-0.4 2,-0.7 -0.967 14.1-144.1-119.6 130.3 2.1 44.1 16.3 92 92 A A E -ac 30 47A 0 -46,-2.3 -44,-1.7 -2,-0.4 2,-0.7 -0.832 16.5-177.2 -96.9 111.6 0.7 41.1 18.1 93 93 A V E -ac 31 48A 0 -63,-2.1 -61,-2.0 -2,-0.7 2,-0.6 -0.897 17.1-153.2-113.6 99.7 2.9 38.0 17.6 94 94 A K E +ac 32 49A 2 -46,-2.1 -44,-3.8 -2,-0.7 -43,-0.4 -0.632 40.4 140.7 -84.8 114.7 1.0 35.3 19.5 95 95 A V + 0 0 0 -63,-3.0 2,-0.4 -2,-0.6 -62,-0.2 0.361 56.7 67.9-132.7 -4.8 3.4 32.6 20.7 96 96 A L S S- 0 0 12 -64,-1.8 6,-0.3 6,-0.1 -45,-0.1 -0.951 72.0-140.1-118.2 144.9 1.9 31.8 24.1 97 97 A G > - 0 0 5 4,-3.0 3,-2.2 -2,-0.4 -2,-0.1 -0.167 42.8 -73.6 -89.6-171.1 -1.4 30.1 24.7 98 98 A A T 3 S+ 0 0 45 1,-0.3 -65,-0.0 2,-0.1 -2,-0.0 0.717 129.5 55.9 -55.0 -32.6 -4.2 30.8 27.2 99 99 A D T 3 S- 0 0 127 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.249 116.6-111.9 -87.3 5.7 -2.2 29.2 30.1 100 100 A G S < S+ 0 0 31 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.442 83.5 105.1 74.5 10.2 0.7 31.6 29.4 101 101 A S + 0 0 67 25,-0.1 -4,-3.0 -68,-0.0 2,-0.3 -0.704 40.4 171.9-112.8 168.1 3.1 28.9 28.2 102 102 A G - 0 0 21 -6,-0.3 2,-0.2 -2,-0.2 -6,-0.1 -0.938 33.3 -96.3-164.3 160.5 4.3 28.1 24.7 103 103 A Q > - 0 0 120 -2,-0.3 4,-1.8 -8,-0.1 3,-0.3 -0.459 30.9-118.9 -81.5 151.9 6.8 25.8 22.9 104 104 A Y H > S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.871 113.2 60.4 -57.4 -41.0 10.2 27.1 21.7 105 105 A S H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 106.2 47.8 -58.0 -39.0 9.4 26.3 18.1 106 106 A W H > S+ 0 0 53 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.878 111.4 48.8 -66.9 -42.8 6.5 28.8 18.3 107 107 A I H X S+ 0 0 11 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.922 113.2 47.7 -63.0 -44.0 8.5 31.5 19.9 108 108 A I H X S+ 0 0 21 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.835 108.4 54.2 -64.3 -39.7 11.2 31.1 17.3 109 109 A N H X S+ 0 0 81 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.914 108.8 50.5 -58.2 -45.6 8.7 31.1 14.5 110 110 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.892 109.1 49.3 -61.3 -41.2 7.4 34.4 15.9 111 111 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.923 111.0 51.1 -64.6 -42.4 11.0 35.9 16.0 112 112 A E H X S+ 0 0 73 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.934 108.7 51.9 -59.8 -40.0 11.5 34.8 12.4 113 113 A W H X S+ 0 0 43 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.913 107.1 52.9 -59.4 -47.0 8.2 36.5 11.5 114 114 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 -1,-0.2 0.909 109.9 46.9 -59.9 -38.1 9.4 39.7 13.1 115 115 A I H ><5S+ 0 0 17 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.961 113.8 48.3 -64.7 -50.7 12.6 39.8 11.1 116 116 A A H 3<5S+ 0 0 71 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.832 112.1 49.6 -61.0 -34.2 10.8 39.0 7.8 117 117 A N T 3<5S- 0 0 69 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.209 113.6-115.2 -93.2 9.2 8.2 41.7 8.6 118 118 A N T < 5 - 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