==== 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 31-JUL-97 1AQN . COMPND 2 MOLECULE: SUBTILISIN 8324; . 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) . 10195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.7 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 . 24 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.9 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 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 0 122 0, 0.0 79,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 152.4 -9.9 60.8 32.4 2 2 A Q - 0 0 43 77,-0.2 2,-0.3 75,-0.2 79,-0.2 -0.767 360.0-154.4 -95.7 141.0 -6.5 59.2 31.5 3 3 A S - 0 0 81 77,-2.9 79,-0.2 -2,-0.3 76,-0.0 -0.857 11.7-135.4-112.1 148.5 -4.0 58.3 34.3 4 4 A V - 0 0 66 -2,-0.3 79,-0.1 77,-0.2 77,-0.1 -0.959 26.3-125.0-107.4 113.3 -0.3 58.1 33.7 5 5 A P >> - 0 0 17 0, 0.0 3,-1.2 0, 0.0 4,-1.2 -0.332 20.7-117.7 -56.5 141.3 1.1 54.9 35.3 6 6 A Y H 3> S+ 0 0 72 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.820 112.1 60.5 -45.5 -46.2 4.0 55.7 37.7 7 7 A G H 3> S+ 0 0 1 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.807 98.9 56.0 -59.0 -36.1 6.4 53.7 35.6 8 8 A V H <4>S+ 0 0 2 -3,-1.2 5,-1.8 2,-0.2 3,-0.2 0.922 113.6 39.8 -61.8 -50.2 5.9 55.9 32.5 9 9 A S H ><5S+ 0 0 60 -4,-1.2 3,-1.3 1,-0.2 -2,-0.2 0.859 108.9 62.8 -67.3 -38.1 6.9 59.0 34.4 10 10 A Q H 3<5S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.803 106.2 44.1 -58.8 -36.3 9.7 57.2 36.3 11 11 A I T 3<5S- 0 0 0 -4,-1.4 259,-2.5 -3,-0.2 260,-0.6 0.427 116.6-117.6 -88.5 2.8 11.5 56.5 33.1 12 12 A K T X>5 + 0 0 85 -3,-1.3 3,-0.8 -4,-0.2 4,-0.6 0.664 65.0 144.1 70.3 28.1 10.9 60.1 31.9 13 13 A A H >>< + 0 0 0 -5,-1.8 4,-1.9 1,-0.2 3,-0.9 0.849 61.2 66.5 -59.0 -41.1 8.8 59.3 28.9 14 14 A P H 3> S+ 0 0 41 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.816 90.9 65.2 -56.6 -27.8 6.4 62.4 29.2 15 15 A A H <> S+ 0 0 30 -3,-0.8 4,-0.7 1,-0.2 -2,-0.2 0.922 107.4 41.0 -61.3 -42.0 9.3 64.7 28.5 16 16 A L H XX>S+ 0 0 3 -3,-0.9 5,-2.5 -4,-0.6 3,-0.9 0.876 109.8 57.1 -72.2 -39.6 9.6 63.3 25.0 17 17 A H H ><5S+ 0 0 33 -4,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.905 103.9 55.2 -55.2 -43.1 5.8 63.2 24.5 18 18 A S H 3<5S+ 0 0 109 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.713 105.1 52.8 -58.4 -30.6 5.8 66.9 25.2 19 19 A Q H <<5S- 0 0 116 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.467 125.5-100.2 -81.2 -14.2 8.3 67.4 22.4 20 20 A G T <<5S+ 0 0 57 -3,-1.5 2,-0.6 -4,-0.6 -3,-0.2 0.503 83.4 128.8 101.0 11.4 6.2 65.6 19.9 21 21 A Y < + 0 0 74 -5,-2.5 -1,-0.3 1,-0.1 -2,-0.2 -0.900 12.3 140.0-100.5 116.3 8.2 62.3 20.1 22 22 A a S S- 0 0 20 -2,-0.6 65,-2.5 63,-0.1 66,-0.5 0.241 76.0 -87.3-138.8 11.3 5.8 59.3 20.7 23 23 A G > + 0 0 0 210,-0.3 3,-2.4 1,-0.2 66,-0.4 0.560 59.0 177.8 93.2 16.3 7.1 56.5 18.5 24 24 A S T 3 S+ 0 0 58 1,-0.3 -1,-0.2 64,-0.2 64,-0.2 -0.211 71.1 7.0 -58.0 135.8 5.2 57.2 15.2 25 25 A N T 3 S+ 0 0 145 62,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.534 95.1 128.4 69.2 13.4 6.1 54.8 12.4 26 26 A V < - 0 0 6 -3,-2.4 63,-3.0 61,-0.2 2,-0.6 -0.886 53.7-142.3 -99.5 130.0 8.2 52.6 14.8 27 27 A K E -a 89 0A 74 -2,-0.5 93,-2.3 91,-0.2 94,-2.1 -0.833 20.8-175.3 -97.2 118.3 7.0 48.9 14.4 28 28 A V E -ab 90 121A 0 61,-3.1 63,-2.6 -2,-0.6 2,-0.5 -0.982 11.4-153.4-119.9 125.9 7.1 47.2 17.8 29 29 A A E -ab 91 122A 0 92,-3.2 94,-2.7 -2,-0.5 2,-0.8 -0.863 1.7-157.3-101.5 128.1 6.3 43.5 18.1 30 30 A V E -ab 92 123A 0 61,-3.1 63,-2.3 -2,-0.5 2,-0.8 -0.901 10.0-164.0-100.1 102.0 4.9 42.2 21.3 31 31 A I E +ab 93 124A 0 92,-2.5 94,-0.7 -2,-0.8 2,-0.2 -0.804 51.3 84.7 -95.3 107.6 5.8 38.4 21.3 32 32 A D E S-a 94 0A 0 61,-2.1 63,-2.9 -2,-0.8 64,-1.7 -0.670 95.3 -30.4-169.8-144.7 3.5 37.0 24.0 33 33 A S S S- 0 0 1 1,-0.3 28,-0.4 61,-0.2 29,-0.3 0.297 94.8 -92.7 -89.6 11.2 -0.0 35.8 24.6 34 34 A G - 0 0 0 59,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.462 39.4 -97.2 102.8 177.0 -1.7 38.0 21.9 35 35 A I - 0 0 0 22,-2.0 2,-1.2 -2,-0.2 57,-0.1 -0.987 24.0-121.5-138.5 134.3 -3.2 41.4 22.3 36 36 A D > - 0 0 21 -2,-0.4 3,-1.5 1,-0.2 23,-0.2 -0.628 27.3-171.5 -73.5 100.9 -6.9 42.2 22.7 37 37 A S T 3 S+ 0 0 59 21,-1.2 7,-0.3 -2,-1.2 -1,-0.2 0.473 77.3 69.5 -72.5 -6.9 -7.3 44.4 19.6 38 38 A S T 3 S+ 0 0 89 20,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.544 70.3 115.1 -86.0 -8.8 -10.9 45.3 20.7 39 39 A H X - 0 0 2 -3,-1.5 3,-2.2 1,-0.2 169,-0.0 -0.440 65.9-141.1 -67.8 127.8 -9.5 47.4 23.7 40 40 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.2 0, 0.0 39,-0.1 0.698 99.3 55.9 -63.0 -18.6 -10.4 51.0 23.2 41 41 A D T 3 S+ 0 0 0 33,-0.1 34,-2.3 36,-0.0 2,-0.3 0.298 102.4 65.5 -97.5 11.8 -7.0 52.1 24.6 42 42 A L < - 0 0 8 -3,-2.2 2,-0.5 32,-0.2 32,-0.1 -0.975 58.5-159.8-128.5 152.0 -4.9 50.1 22.1 43 43 A K - 0 0 156 -2,-0.3 47,-0.7 30,-0.3 2,-0.5 -0.935 13.4-162.7-127.0 108.6 -4.4 50.2 18.3 44 44 A V E -c 90 0A 25 -2,-0.5 47,-0.2 -7,-0.3 3,-0.1 -0.798 7.2-172.2 -93.9 129.1 -3.1 46.9 16.9 45 45 A A E - 0 0 60 45,-3.0 2,-0.3 -2,-0.5 46,-0.2 0.721 57.9 -56.6 -88.9 -27.4 -1.6 47.3 13.4 46 46 A G E +c 91 0A 14 44,-1.1 46,-2.4 11,-0.0 2,-0.3 -0.962 57.7 155.6 176.2-162.2 -1.1 43.7 12.6 47 47 A G E -c 92 0A 25 -2,-0.3 2,-0.3 44,-0.3 46,-0.2 -0.943 27.9-110.1 143.0-169.8 0.6 40.5 13.7 48 48 A A E -c 93 0A 18 44,-2.0 46,-2.7 -2,-0.3 2,-0.4 -0.966 15.4-126.9-159.5 152.1 0.4 36.7 13.5 49 49 A S E +c 94 0A 28 6,-0.3 46,-0.2 -2,-0.3 6,-0.1 -0.941 18.5 176.1-111.2 137.1 -0.3 33.6 15.7 50 50 A F + 0 0 51 44,-3.1 45,-0.2 -2,-0.4 5,-0.1 0.155 53.0 106.7-117.6 11.5 2.1 30.7 16.0 51 51 A V B > -J 54 0B 4 3,-0.5 3,-1.2 43,-0.4 45,-0.1 -0.854 64.3-148.3 -94.1 116.5 -0.0 28.8 18.6 52 52 A P T 3 S+ 0 0 91 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.839 94.5 40.4 -59.6 -38.2 -1.5 25.9 16.7 53 53 A S T 3 S+ 0 0 105 1,-0.2 2,-0.4 -3,-0.1 -2,-0.0 0.476 115.6 50.9 -90.6 -1.9 -4.7 25.8 18.8 54 54 A E B < +J 51 0B 35 -3,-1.2 -3,-0.5 1,-0.1 -1,-0.2 -0.836 61.2 170.6-138.1 86.5 -5.3 29.6 19.0 55 55 A T + 0 0 118 -2,-0.4 -6,-0.3 -3,-0.2 -1,-0.1 0.546 53.5 83.9 -80.2 -8.6 -5.1 31.0 15.5 56 56 A N > - 0 0 64 1,-0.1 3,-1.2 -8,-0.1 -8,-0.1 -0.880 54.8-168.3-100.6 117.9 -6.3 34.6 16.2 57 57 A P T 3 S+ 0 0 13 0, 0.0 -22,-2.0 0, 0.0 -1,-0.1 0.646 84.2 65.6 -75.4 -13.3 -3.5 36.8 17.4 58 58 A F T 3 S+ 0 0 65 -24,-0.2 -21,-1.2 -22,-0.1 2,-0.5 0.262 85.3 79.7 -94.9 8.2 -6.0 39.4 18.4 59 59 A Q < - 0 0 108 -3,-1.2 2,-0.7 -23,-0.2 -23,-0.1 -0.992 62.7-165.2-116.6 121.3 -7.6 37.3 21.1 60 60 A D + 0 0 13 -2,-0.5 -26,-0.1 -26,-0.1 -24,-0.1 -0.895 13.4 173.4-111.6 102.5 -5.7 37.3 24.4 61 61 A N S S+ 0 0 89 -2,-0.7 -1,-0.1 -28,-0.4 -27,-0.1 0.425 79.1 46.4 -85.4 -4.0 -7.0 34.5 26.6 62 62 A N S S- 0 0 51 -29,-0.3 -1,-0.1 34,-0.1 -28,-0.1 0.844 91.2-137.0-103.2 -54.0 -4.3 35.0 29.2 63 63 A S S > S+ 0 0 25 -30,-0.1 4,-1.6 -29,-0.1 5,-0.1 -0.065 79.1 97.4 113.9 -19.3 -4.3 38.8 29.8 64 64 A H H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.920 80.2 48.2 -65.2 -48.0 -0.5 39.0 29.9 65 65 A G H > S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.855 111.8 51.4 -61.5 -39.8 0.2 40.1 26.3 66 66 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 142,-0.4 0.870 110.4 48.3 -63.6 -42.0 -2.5 42.8 26.5 67 67 A H H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 141,-0.4 0.945 113.4 46.9 -65.1 -45.2 -1.0 44.2 29.7 68 68 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-0.4 0.914 111.2 52.2 -61.1 -48.4 2.5 44.3 28.2 69 69 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.3 -1,-0.2 0.848 105.5 54.8 -59.1 -40.0 1.2 45.9 25.0 70 70 A G H X S+ 0 0 1 -4,-1.9 4,-2.3 138,-0.3 -1,-0.3 0.815 104.2 54.6 -64.4 -32.0 -0.5 48.7 27.0 71 71 A T H < S+ 0 0 7 -4,-1.4 13,-3.2 -3,-0.4 -1,-0.2 0.922 114.8 40.8 -67.6 -38.7 2.8 49.5 28.8 72 72 A V H < S- 0 0 0 -4,-1.7 13,-3.3 11,-0.3 -2,-0.2 0.934 139.1 -1.2 -68.4 -51.9 4.4 50.0 25.4 73 73 A A H < + 0 0 3 -4,-3.0 -30,-0.3 11,-0.2 -3,-0.2 0.145 64.4 155.5-141.4 29.7 1.6 51.8 23.6 74 74 A A < - 0 0 0 -4,-2.3 9,-2.7 -5,-0.1 -32,-0.2 -0.355 58.8 -98.0 -53.4 136.7 -1.7 52.5 25.4 75 75 A L - 0 0 48 -34,-2.3 2,-1.0 7,-0.2 4,-0.1 -0.225 19.6-119.9 -67.9 152.9 -3.0 55.5 23.4 76 76 A N S S+ 0 0 108 10,-0.3 2,-0.2 -3,-0.1 6,-0.1 -0.810 72.4 105.8 -90.5 102.5 -2.8 59.1 24.4 77 77 A N S S- 0 0 60 -2,-1.0 -75,-0.2 2,-0.4 -36,-0.0 -0.621 86.2 -72.6-150.8-148.7 -6.5 60.1 24.6 78 78 A S S S+ 0 0 89 -2,-0.2 2,-0.3 -77,-0.1 -2,-0.1 0.245 101.8 67.8-109.8 11.1 -8.9 60.8 27.5 79 79 A I S S- 0 0 63 2,-0.2 -2,-0.4 -4,-0.1 -77,-0.2 -0.880 92.9 -16.7-127.2 166.8 -9.4 57.3 28.8 80 80 A G S S- 0 0 16 -79,-0.4 -77,-2.9 -2,-0.3 2,-0.2 -0.208 94.6 -31.3 53.7-127.8 -7.4 54.7 30.5 81 81 A V - 0 0 6 -79,-0.2 2,-0.4 -40,-0.1 -4,-0.3 -0.473 51.4-117.2-118.4-169.4 -3.6 54.8 30.7 82 82 A L - 0 0 10 -2,-0.2 -7,-0.2 -79,-0.2 -74,-0.1 -0.984 21.6-141.8-137.4 128.0 -0.7 56.0 28.6 83 83 A G - 0 0 0 -9,-2.7 -11,-0.3 -2,-0.4 -10,-0.2 -0.313 28.5-108.7 -82.1 171.6 2.0 53.9 27.1 84 84 A V S S+ 0 0 0 -13,-3.2 -11,-0.2 1,-0.3 -12,-0.2 0.846 118.0 23.0 -65.0 -35.8 5.7 54.8 26.8 85 85 A A S > S+ 0 0 0 -13,-3.3 3,-1.9 -14,-0.2 -1,-0.3 -0.717 73.5 174.9-134.8 74.2 5.3 55.1 23.0 86 86 A P T 3 S+ 0 0 7 0, 0.0 -10,-0.3 0, 0.0 -63,-0.2 0.615 77.0 50.9 -61.5 -16.9 1.6 55.8 22.4 87 87 A a T 3 S+ 0 0 54 -65,-2.5 -62,-0.6 -12,-0.1 -64,-0.2 0.274 83.0 121.2-104.1 8.3 2.0 56.4 18.7 88 88 A A S < S- 0 0 13 -3,-1.9 2,-0.8 -66,-0.5 -61,-0.2 -0.336 71.7-112.1 -68.7 162.8 4.0 53.2 17.9 89 89 A S E -a 27 0A 33 -63,-3.0 -61,-3.1 -66,-0.4 2,-0.4 -0.783 39.8-152.4 -95.1 113.8 2.7 50.7 15.4 90 90 A L E -ac 28 44A 1 -2,-0.8 -45,-3.0 -47,-0.7 -44,-1.1 -0.746 11.4-166.0 -96.1 131.8 1.9 47.7 17.6 91 91 A Y E -ac 29 46A 35 -63,-2.6 -61,-3.1 -2,-0.4 2,-0.8 -0.954 13.9-143.5-120.2 128.6 2.1 44.1 16.4 92 92 A A E -ac 30 47A 0 -46,-2.4 -44,-2.0 -2,-0.4 2,-0.7 -0.835 17.7-177.9 -93.4 112.4 0.6 41.1 18.2 93 93 A V E -ac 31 48A 0 -63,-2.3 -61,-2.1 -2,-0.8 2,-0.6 -0.916 16.4-155.2-111.8 98.4 2.9 38.1 17.7 94 94 A K E +ac 32 49A 2 -46,-2.7 -44,-3.1 -2,-0.7 -43,-0.4 -0.706 38.8 141.8 -87.7 116.9 1.1 35.3 19.6 95 95 A V + 0 0 0 -63,-2.9 2,-0.4 -2,-0.6 -62,-0.2 0.310 56.6 69.9-130.4 -3.8 3.4 32.5 20.7 96 96 A L S S- 0 0 12 -64,-1.7 6,-0.2 6,-0.1 -45,-0.1 -0.950 70.8-137.5-118.4 148.1 1.8 31.7 24.1 97 97 A G > - 0 0 6 4,-2.5 3,-2.7 -2,-0.4 -2,-0.1 -0.201 42.7 -78.8 -88.3-174.4 -1.5 30.0 24.8 98 98 A A T 3 S+ 0 0 44 1,-0.3 -65,-0.1 2,-0.1 -1,-0.0 0.811 129.4 57.4 -57.7 -30.1 -4.2 30.9 27.4 99 99 A D T 3 S- 0 0 122 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.492 115.6-114.8 -83.3 -2.0 -2.2 29.1 30.1 100 100 A G S < S+ 0 0 34 -3,-2.7 2,-0.2 1,-0.3 -2,-0.1 0.463 80.7 107.4 83.5 7.9 0.8 31.4 29.5 101 101 A S + 0 0 64 25,-0.1 -4,-2.5 -68,-0.0 -1,-0.3 -0.702 40.5 174.7-110.5 168.7 3.2 28.7 28.2 102 102 A G - 0 0 20 -2,-0.2 2,-0.2 -6,-0.2 -6,-0.1 -0.959 32.8 -99.1-166.8 157.7 4.4 28.0 24.6 103 103 A Q > - 0 0 118 -2,-0.3 4,-1.8 -8,-0.2 3,-0.5 -0.546 29.8-122.5 -83.8 146.4 6.8 25.8 22.8 104 104 A Y H > S+ 0 0 63 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.857 113.1 61.1 -55.4 -35.8 10.2 27.1 21.7 105 105 A S H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 105.2 47.9 -59.8 -41.2 9.3 26.3 18.1 106 106 A W H > S+ 0 0 54 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.881 111.4 49.1 -64.4 -46.2 6.4 28.7 18.4 107 107 A I H X S+ 0 0 10 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.913 112.9 47.3 -60.0 -47.9 8.5 31.5 19.9 108 108 A I H X S+ 0 0 23 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.841 108.5 54.1 -64.7 -37.3 11.2 31.1 17.3 109 109 A N H X S+ 0 0 85 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.912 109.1 50.9 -59.5 -41.6 8.6 31.1 14.5 110 110 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.917 109.6 48.7 -63.5 -43.9 7.4 34.4 16.0 111 111 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.925 111.1 50.2 -61.0 -47.1 10.9 35.9 16.0 112 112 A E H X S+ 0 0 75 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.941 109.7 52.2 -57.1 -42.9 11.5 34.8 12.4 113 113 A W H X S+ 0 0 47 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.919 107.2 51.9 -56.7 -46.3 8.2 36.4 11.5 114 114 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 -1,-0.2 0.894 109.9 48.5 -61.9 -38.9 9.2 39.7 13.2 115 115 A I H ><5S+ 0 0 18 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.950 113.2 47.4 -63.3 -49.2 12.5 39.9 11.2 116 116 A A H 3<5S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.778 111.1 51.3 -64.4 -29.9 10.7 39.2 7.9 117 117 A N T 3<5S- 0 0 67 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.191 114.3-115.7 -92.3 9.3 8.0 41.8 8.6 118 118 A N T < 5 - 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