==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-APR-99 1QF2 . COMPND 2 MOLECULE: PROTEIN (THERMOLYSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR J.-F.GAUCHER,M.SELKTI,G.TIRABOSCHI,T.PRANGE,B.P.ROQUES, . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 11.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 1 5 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 I 0 0 89 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 140.5 8.2 52.0 0.0 2 2 A T + 0 0 139 23,-0.0 2,-0.3 21,-0.0 21,-0.0 -0.836 360.0 104.5 -91.6 130.1 6.3 55.2 0.5 3 3 A G - 0 0 39 -2,-0.5 2,-0.5 23,-0.0 22,-0.2 -0.938 68.1 -50.3-173.7-161.5 6.4 56.4 4.1 4 4 A T E -A 24 0A 95 20,-2.5 20,-3.4 -2,-0.3 2,-0.2 -0.859 48.3-124.8-102.7 129.1 7.8 58.8 6.7 5 5 A S E +A 23 0A 67 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.495 45.2 149.9 -72.0 136.9 11.6 59.3 6.9 6 6 A T E -A 22 0A 51 16,-2.3 16,-2.1 -2,-0.2 2,-0.4 -0.850 41.4-105.7-152.2-175.4 13.0 58.7 10.4 7 7 A V E -A 21 0A 75 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -0.988 27.7-174.6-130.4 125.0 16.2 57.6 12.1 8 8 A G E -A 20 0A 3 12,-3.0 12,-2.1 -2,-0.4 2,-0.4 -0.476 16.2-132.8-104.3-178.4 16.8 54.2 13.8 9 9 A V E +Ab 19 61A 32 51,-1.7 53,-3.0 10,-0.2 2,-0.3 -0.992 30.9 150.2-139.7 143.6 19.8 53.0 15.8 10 10 A G E -Ab 18 62A 0 8,-2.6 8,-2.6 -2,-0.4 2,-0.4 -0.913 40.1-102.4-155.9-173.0 21.8 49.8 15.6 11 11 A R E -A 17 0A 105 51,-2.1 6,-0.2 -2,-0.3 60,-0.2 -0.980 33.2-141.2-126.7 128.4 25.0 48.0 16.1 12 12 A G > - 0 0 4 4,-3.0 3,-2.2 -2,-0.4 56,-0.2 -0.140 38.0 -82.3 -80.1-177.8 27.3 47.1 13.2 13 13 A V T 3 S+ 0 0 30 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.832 129.1 50.8 -53.2 -39.1 29.4 44.0 12.5 14 14 A L T 3 S- 0 0 76 121,-0.1 -1,-0.3 54,-0.1 -2,-0.0 0.328 122.8-103.3 -85.5 8.4 32.3 45.3 14.7 15 15 A G S < S+ 0 0 45 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.563 74.7 142.1 83.5 8.1 29.9 46.0 17.6 16 16 A D - 0 0 49 1,-0.0 -4,-3.0 -5,-0.0 2,-0.4 -0.609 48.5-127.0 -86.7 140.8 29.8 49.8 17.1 17 17 A Q E +A 11 0A 118 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.713 36.5 164.1 -88.4 135.7 26.6 51.7 17.6 18 18 A K E -A 10 0A 14 -8,-2.6 -8,-2.6 -2,-0.4 2,-0.4 -0.982 35.7-117.0-149.4 156.2 25.4 54.0 14.8 19 19 A N E -A 9 0A 105 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.774 31.8-165.5 -93.1 140.9 22.3 55.9 13.7 20 20 A I E -A 8 0A 3 -12,-2.1 -12,-3.0 -2,-0.4 2,-0.5 -0.968 22.9-116.2-130.7 146.5 20.8 54.9 10.3 21 21 A N E +A 7 0A 42 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.695 43.9 168.8 -82.9 122.9 18.2 56.5 8.1 22 22 A T E -A 6 0A 1 -16,-2.1 -16,-2.3 -2,-0.5 2,-0.4 -0.705 29.4-126.1-126.2 176.4 15.1 54.4 7.8 23 23 A T E -AC 5 29A 0 6,-1.8 6,-3.1 -18,-0.2 2,-0.5 -0.998 18.8-142.6-130.4 133.0 11.5 54.8 6.4 24 24 A Y E +AC 4 28A 97 -20,-3.4 -20,-2.5 -2,-0.4 4,-0.2 -0.846 40.8 135.0-104.3 129.0 8.4 54.1 8.4 25 25 A S S S- 0 0 47 2,-2.6 2,-2.2 -2,-0.5 -23,-0.0 -0.509 95.2 -47.0-167.3 83.7 5.2 52.6 7.0 26 26 A T S S+ 0 0 111 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.415 140.0 36.2 77.8 -58.1 3.8 49.9 9.3 27 27 A Y S S- 0 0 115 -2,-2.2 -2,-2.6 -4,-0.1 2,-0.6 -0.659 94.0-110.6-111.8 169.7 7.4 48.5 9.7 28 28 A Y E -CD 24 57A 56 29,-3.5 29,-2.7 -2,-0.2 2,-0.3 -0.929 39.6-159.6-103.0 123.1 10.6 50.5 9.7 29 29 A Y E -CD 23 56A 40 -6,-3.1 2,-2.3 -2,-0.6 -6,-1.8 -0.782 29.0-115.5-107.3 151.5 12.6 49.8 6.5 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.1 11,-0.3 2,-0.4 -0.591 71.4 130.6 -82.0 75.9 16.3 50.2 5.6 31 31 A Q E -E 40 0B 10 -2,-2.3 2,-0.7 9,-0.2 9,-0.2 -0.962 44.2-159.2-134.6 112.8 15.4 52.9 3.1 32 32 A D E +E 39 0B 2 7,-2.8 7,-1.5 -2,-0.4 3,-0.4 -0.873 12.6 177.5 -97.2 111.7 17.4 56.1 3.3 33 33 A N + 0 0 59 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.493 67.2 78.2 -92.1 -4.7 15.4 58.9 1.5 34 34 A T S S+ 0 0 87 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.573 85.2 64.6 -82.1 -8.9 18.0 61.6 2.3 35 35 A R S > S- 0 0 46 -3,-0.4 3,-2.2 4,-0.1 -1,-0.1 -0.915 111.4 -66.4-123.6 109.2 20.5 60.6 -0.4 36 36 A G T 3 S- 0 0 30 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.258 112.9 -17.6 55.2-134.8 19.6 60.9 -4.1 37 37 A D T 3 S- 0 0 108 60,-1.6 -1,-0.3 1,-0.3 62,-0.2 0.277 119.6 -85.6 -84.7 9.2 16.8 58.5 -5.1 38 38 A G < - 0 0 1 -3,-2.2 62,-2.3 60,-0.1 2,-0.5 -0.161 27.5-103.8 109.9 156.5 17.5 56.5 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.8 60,-0.2 2,-0.4 -0.997 36.0-168.9-121.0 123.9 19.7 53.8 -0.4 40 40 A F E -Ef 31 101B 22 60,-3.1 62,-2.0 -2,-0.5 2,-0.5 -0.976 6.5-163.5-120.6 130.0 17.9 50.5 -0.1 41 41 A T E - f 0 102B 0 -11,-2.1 14,-2.7 -2,-0.4 -11,-0.3 -0.956 12.4-164.1-118.6 130.0 19.2 47.5 1.9 42 42 A Y E -Gf 54 103B 30 60,-3.1 62,-2.6 -2,-0.5 2,-0.6 -0.791 20.5-127.6-114.4 157.8 17.8 44.0 1.4 43 43 A D E -Gf 53 104B 24 10,-2.9 10,-2.2 -2,-0.3 62,-0.2 -0.896 15.2-174.1-104.0 116.9 17.8 40.6 3.2 44 44 A A > - 0 0 4 60,-2.7 3,-2.3 -2,-0.6 5,-0.3 0.456 30.2-141.3 -87.6 -6.4 18.9 37.8 0.9 45 45 A K T 3 - 0 0 106 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.740 61.3 -60.2 52.4 36.8 18.0 35.3 3.7 46 46 A Y T 3 S+ 0 0 106 59,-2.6 -1,-0.3 1,-0.3 60,-0.2 0.565 115.1 110.4 70.1 10.9 21.0 33.0 3.0 47 47 A R S < S- 0 0 173 -3,-2.3 60,-2.4 58,-0.3 -1,-0.3 -0.489 72.0-128.0-107.2 177.9 19.8 32.3 -0.5 48 48 A T S S+ 0 0 83 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.349 71.4 109.2-109.4 2.6 21.2 33.4 -3.8 49 49 A T S S- 0 0 96 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.683 71.6-101.5 -81.1 131.7 18.1 35.0 -5.4 50 50 A L S S- 0 0 57 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.831 80.6 -0.4-114.2 153.4 18.5 38.8 -5.5 51 51 A P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.984 78.8-167.7 -83.7 -13.7 17.7 41.3 -4.2 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.809 48.0 -25.1 102.2-147.7 15.6 39.5 -1.6 53 53 A S E -G 43 0B 48 -10,-2.2 -10,-2.9 -2,-0.3 -8,-0.1 -0.858 67.0-106.3-107.0 138.2 13.2 41.5 0.7 54 54 A L E -G 42 0B 29 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.385 55.5 -95.4 -58.2 129.3 13.6 45.2 1.5 55 55 A W - 0 0 10 -14,-2.7 -25,-2.0 -25,-0.3 2,-0.4 -0.333 48.9-170.5 -57.3 118.2 14.8 45.0 5.2 56 56 A A E -D 29 0A 46 -2,-0.2 2,-0.4 -27,-0.2 -27,-0.2 -0.902 7.0-178.7-113.9 137.5 11.9 45.4 7.5 57 57 A D E -D 28 0A 22 -29,-2.7 -29,-3.5 -2,-0.4 5,-0.1 -0.992 23.2-144.2-136.1 142.2 12.1 45.9 11.3 58 58 A A S S+ 0 0 74 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.812 94.1 23.2 -78.2 -29.0 9.3 46.3 13.8 59 59 A D S S- 0 0 89 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.332 96.0-114.3-124.3 8.6 10.8 48.8 16.2 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.702 82.1 115.7 66.6 17.9 13.5 50.8 14.4 61 61 A Q E -b 9 0A 102 -53,-0.2 2,-0.4 -33,-0.1 -2,-0.3 -0.988 45.6-170.0-120.7 126.2 16.2 49.3 16.7 62 62 A F E +b 10 0A 0 -53,-3.0 -51,-2.1 -2,-0.5 9,-0.1 -0.535 40.8 122.6-119.5 68.9 18.8 47.1 15.1 63 63 A F + 0 0 72 -2,-0.4 2,-0.2 -53,-0.2 -1,-0.1 0.326 39.6 109.7-108.0 3.3 20.8 45.3 17.8 64 64 A A S >> S- 0 0 52 -3,-0.2 3,-1.3 1,-0.1 4,-1.0 -0.565 76.4-122.3 -77.1 149.5 20.2 41.7 16.8 65 65 A S T 34 S+ 0 0 117 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.872 114.1 59.2 -61.5 -32.8 23.3 39.9 15.4 66 66 A Y T 34 S+ 0 0 71 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.790 103.3 54.9 -64.6 -25.3 21.4 39.1 12.3 67 67 A D T X> S+ 0 0 16 -3,-1.3 4,-2.0 1,-0.2 3,-1.0 0.788 84.8 85.2 -77.0 -33.1 20.9 42.9 11.8 68 68 A A H 3X S+ 0 0 14 -4,-1.0 4,-2.1 -3,-0.5 -55,-0.5 0.831 87.9 47.3 -41.5 -53.3 24.6 43.8 12.0 69 69 A P H 3> S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.860 113.1 51.4 -62.9 -31.0 25.6 43.3 8.3 70 70 A A H <> S+ 0 0 0 -3,-1.0 4,-2.4 -4,-0.4 5,-0.2 0.908 107.0 52.8 -69.2 -43.1 22.5 45.2 7.2 71 71 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 -60,-0.2 5,-0.2 0.938 114.1 42.4 -57.3 -50.0 23.3 48.2 9.5 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.893 112.7 50.4 -67.5 -42.6 26.8 48.5 8.1 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.937 116.7 43.8 -60.9 -42.6 25.9 48.0 4.4 74 74 A H H X S+ 0 0 4 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.945 118.3 42.9 -66.9 -49.2 23.2 50.6 4.8 75 75 A Y H X S+ 0 0 94 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.931 115.6 46.6 -65.6 -49.0 25.4 53.0 6.7 76 76 A Y H X S+ 0 0 2 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.806 106.7 57.7 -67.4 -29.4 28.6 52.7 4.7 77 77 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.900 107.6 50.6 -64.9 -37.8 26.7 53.0 1.4 78 78 A G H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.938 110.1 47.5 -64.3 -46.4 25.6 56.4 2.8 79 79 A V H X S+ 0 0 17 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.886 111.7 50.8 -61.0 -42.3 29.1 57.5 3.7 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.910 109.0 51.5 -63.3 -41.2 30.4 56.5 0.3 81 81 A Y H X S+ 0 0 11 -4,-2.2 4,-2.4 1,-0.2 11,-0.3 0.932 110.0 49.7 -61.0 -44.5 27.6 58.4 -1.4 82 82 A D H X S+ 0 0 40 -4,-2.4 4,-3.2 2,-0.2 5,-0.4 0.891 107.8 54.5 -61.8 -41.4 28.5 61.5 0.7 83 83 A Y H X>S+ 0 0 11 -4,-2.3 4,-2.9 1,-0.2 5,-0.8 0.963 111.3 43.4 -57.1 -54.9 32.2 61.1 -0.3 84 84 A Y H X5S+ 0 0 6 -4,-2.2 6,-2.3 3,-0.2 4,-1.1 0.899 119.6 42.6 -60.4 -40.5 31.4 61.2 -4.0 85 85 A K H X5S+ 0 0 86 -4,-2.4 4,-1.3 4,-0.3 -2,-0.2 0.974 122.3 37.2 -69.7 -52.8 28.9 64.0 -3.7 86 86 A N H <5S+ 0 0 95 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.858 128.5 31.4 -67.7 -44.2 31.0 66.2 -1.3 87 87 A V H <5S+ 0 0 54 -4,-2.9 -3,-0.2 -5,-0.4 -2,-0.2 0.885 136.4 19.7 -85.7 -42.0 34.4 65.5 -2.7 88 88 A H H < - 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0 0 28 -2,-0.6 -12,-0.3 -11,-0.5 -11,-0.2 -0.452 21.0-169.2 -71.7 143.9 54.2 62.6 -2.3 258 258 A I - 0 0 26 -14,-3.0 4,-0.4 1,-0.2 -13,-0.2 0.352 46.7-105.3-112.4 1.3 51.5 65.1 -3.1 259 259 A G > - 0 0 26 -14,-2.3 4,-1.8 -15,-0.4 -1,-0.2 0.119 28.5 -78.2 94.7 157.1 48.8 63.9 -0.7 260 260 A R H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.815 119.2 56.6 -60.2 -42.3 45.5 62.0 -0.7 261 261 A D H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.923 110.7 42.9 -61.6 -44.8 43.3 64.7 -1.9 262 262 A K H > S+ 0 0 71 -4,-0.4 4,-3.1 2,-0.2 5,-0.2 0.872 110.9 56.4 -69.2 -36.9 45.2 65.4 -5.1 263 263 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.934 109.9 46.9 -56.7 -47.8 45.6 61.6 -5.7 264 264 A G H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.911 112.6 48.8 -60.9 -44.6 41.8 61.5 -5.6 265 265 A K H X S+ 0 0 101 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.931 113.2 46.6 -63.3 -44.6 41.4 64.4 -7.9 266 266 A I H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.948 116.2 43.3 -64.0 -48.7 43.8 63.1 -10.5 267 267 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.845 112.3 52.5 -68.7 -33.2 42.4 59.5 -10.5 268 268 A Y H X S+ 0 0 33 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.920 112.0 46.6 -67.4 -42.3 38.8 60.7 -10.6 269 269 A R H X>S+ 0 0 79 -4,-2.0 4,-2.2 -5,-0.2 5,-0.6 0.919 112.9 49.1 -65.2 -43.5 39.5 62.9 -13.6 270 270 A A H X>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.2 4,-1.6 0.947 113.3 48.1 -59.8 -47.4 41.4 60.1 -15.3 271 271 A L H <5S+ 0 0 1 -4,-2.7 -118,-0.3 1,-0.2 -2,-0.2 0.910 120.1 35.0 -58.5 -49.2 38.5 57.7 -14.7 272 272 A T H <5S+ 0 0 39 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.633 130.4 26.4 -84.8 -18.4 35.7 60.0 -15.9 273 273 A Q H <5S+ 0 0 120 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.726 129.3 20.7-115.0 -33.7 37.5 61.9 -18.7 274 274 A Y T < - 0 0 61 -2,-0.1 3,-1.5 -122,-0.0 -120,-0.1 -0.800 40.7 -90.8-126.8 172.2 38.1 53.7 -21.9 277 277 A P T 3 S+ 0 0 63 0, 0.0 -121,-2.7 0, 0.0 -123,-0.1 0.828 124.5 38.6 -55.2 -33.3 36.9 50.1 -21.7 278 278 A T T 3 S+ 0 0 98 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.273 80.9 142.9-104.7 14.7 40.1 48.7 -23.1 279 279 A S < - 0 0 3 -3,-1.5 -115,-0.2 -126,-0.1 2,-0.2 -0.211 32.5-158.0 -57.2 138.8 42.7 51.0 -21.4 280 280 A N > - 0 0 63 -119,-0.1 4,-2.2 -120,-0.1 5,-0.2 -0.519 36.8 -87.5-108.2 179.6 45.9 49.3 -20.4 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.899 127.3 52.1 -54.4 -45.3 48.5 50.3 -17.8 282 282 A S H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.896 110.9 47.4 -61.3 -38.8 50.4 52.5 -20.3 283 283 A Q H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.850 108.0 56.3 -72.3 -30.9 47.2 54.3 -21.2 284 284 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.925 105.3 52.0 -64.0 -43.1 46.4 54.8 -17.5 285 285 A R H X S+ 0 0 35 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.931 111.3 46.8 -57.5 -46.4 49.8 56.5 -17.1 286 286 A A H X S+ 0 0 62 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.886 112.5 49.9 -63.0 -40.2 49.0 58.8 -20.0 287 287 A A H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.904 112.2 47.3 -65.5 -42.3 45.5 59.5 -18.6 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.895 112.6 48.6 -67.4 -41.0 46.9 60.3 -15.1 289 289 A V H X S+ 0 0 26 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.938 112.7 48.5 -65.0 -44.3 49.6 62.6 -16.5 290 290 A Q H X S+ 0 0 85 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.885 111.1 50.6 -63.6 -38.4 47.1 64.4 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.921 110.9 47.6 -65.6 -45.6 44.7 64.8 -15.6 292 292 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.879 112.0 51.9 -62.5 -37.8 47.4 66.2 -13.4 293 293 A T H X S+ 0 0 36 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.942 109.4 48.5 -62.5 -49.6 48.4 68.6 -16.3 294 294 A D H < S+ 0 0 64 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.910 120.5 38.3 -54.3 -48.3 44.8 69.8 -16.7 295 295 A L H < S+ 0 0 69 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.795 136.2 11.4 -75.9 -35.9 44.5 70.4 -13.0 296 296 A Y H < S- 0 0 63 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.408 105.8-100.9-129.1 1.3 48.0 71.7 -12.0 297 297 A G >< - 0 0 30 -4,-2.6 3,-1.7 -5,-0.4 6,-0.4 0.209 36.0 -85.5 90.1 148.6 49.9 72.5 -15.2 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.662 125.6 50.0 -64.6 -19.4 52.6 70.6 -17.1 299 299 A T T 3 S+ 0 0 143 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.196 87.3 121.5-103.7 15.2 55.4 72.0 -15.0 300 300 A S S <> S- 0 0 16 -3,-1.7 4,-2.0 1,-0.1 5,-0.1 -0.368 72.8-124.7 -78.0 158.0 53.8 71.2 -11.7 301 301 A Q H > S+ 0 0 98 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.843 112.4 62.7 -65.1 -34.5 55.2 69.0 -9.0 302 302 A E H > S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.916 104.5 44.3 -57.5 -47.5 52.0 67.0 -9.2 303 303 A V H > S+ 0 0 2 -6,-0.4 4,-2.1 -11,-0.2 3,-0.3 0.947 113.0 52.6 -63.7 -45.3 52.7 66.1 -12.8 304 304 A A H X S+ 0 0 43 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.922 109.0 49.6 -56.4 -46.1 56.3 65.3 -11.9 305 305 A S H X S+ 0 0 1 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.818 107.3 53.1 -63.3 -37.3 55.2 63.0 -9.1 306 306 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 -3,-0.3 -1,-0.2 0.922 111.6 47.6 -64.6 -41.8 52.7 61.0 -11.2 307 307 A K H X S+ 0 0 91 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.949 112.4 48.0 -63.4 -49.8 55.6 60.4 -13.7 308 308 A Q H X S+ 0 0 72 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.879 110.6 52.3 -58.3 -41.7 58.0 59.3 -11.0 309 309 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.911 111.7 44.6 -63.7 -45.5 55.5 57.0 -9.5 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 3,-0.3 0.902 113.2 51.8 -67.9 -34.8 54.7 55.2 -12.7 311 311 A D H ><5S+ 0 0 42 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.926 105.8 56.6 -62.0 -45.7 58.5 55.1 -13.5 312 312 A A H 3<5S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.811 110.8 41.9 -56.1 -35.7 59.0 53.5 -10.0 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-2.9 -3,-0.3 -1,-0.3 0.278 117.4-111.8 -97.2 10.9 56.6 50.7 -10.8 314 314 A G T < 5 + 0 0 21 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 0.693 68.4 142.0 71.2 20.7 58.0 50.2 -14.3 315 315 A V < 0 0 3 -5,-2.6 -1,-0.2 1,-0.2 -2,-0.1 -0.854 360.0 360.0 -99.3 111.1 54.9 51.5 -16.2 316 316 A K 0 0 165 -2,-0.7 -1,-0.2 -3,-0.1 -5,-0.1 0.693 360.0 360.0-106.0 360.0 55.9 53.5 -19.3