==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-MAY-03 1PE5 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR D.JUERS,D.HOLLAND,B.P.MORGAN,P.A.BARTLETT,B.W.MATTHEWS . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.7 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 . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 33.1 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 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 1 5 2 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 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 82 0, 0.0 2,-0.6 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 132.0 8.1 52.1 -0.1 2 2 A T + 0 0 139 21,-0.0 2,-0.2 23,-0.0 21,-0.0 -0.874 360.0 103.3-101.3 122.1 6.3 55.4 0.5 3 3 A G - 0 0 37 -2,-0.6 2,-0.5 22,-0.1 22,-0.2 -0.821 67.8 -48.7-164.2-153.1 6.4 56.5 4.1 4 4 A T E -A 24 0A 86 20,-2.2 20,-3.0 -2,-0.2 2,-0.2 -0.867 48.5-122.3-106.2 128.4 7.9 58.9 6.6 5 5 A S E +A 23 0A 68 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.525 44.4 154.7 -72.2 138.0 11.7 59.5 6.9 6 6 A T E -A 22 0A 41 16,-2.2 16,-2.1 -2,-0.2 2,-0.4 -0.769 38.5-112.4-146.4-175.8 13.2 58.7 10.4 7 7 A V E -A 21 0A 81 14,-0.2 14,-0.2 -2,-0.2 2,-0.2 -0.994 27.3-178.1-130.0 127.3 16.3 57.8 12.1 8 8 A G E -A 20 0A 5 12,-3.0 12,-2.1 -2,-0.4 2,-0.4 -0.466 15.5-138.1-112.5-177.3 17.0 54.5 13.8 9 9 A V E +Ab 19 61A 20 51,-1.6 53,-2.8 10,-0.3 2,-0.3 -0.984 29.7 144.6-140.3 150.3 20.0 53.3 15.7 10 10 A G E -Ab 18 62A 0 8,-2.6 8,-2.8 -2,-0.4 2,-0.4 -0.948 41.8 -89.1-163.7-168.6 21.9 50.0 15.8 11 11 A R E -A 17 0A 106 51,-2.3 60,-0.2 -2,-0.3 6,-0.2 -0.974 32.5-141.4-125.5 135.3 25.2 48.2 16.0 12 12 A G > - 0 0 5 4,-2.5 3,-2.2 -2,-0.4 56,-0.2 -0.124 38.7 -83.5 -87.0-175.8 27.5 47.2 13.2 13 13 A V T 3 S+ 0 0 30 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.812 129.2 49.4 -54.2 -40.6 29.6 44.2 12.6 14 14 A L T 3 S- 0 0 82 54,-0.1 -1,-0.3 2,-0.1 121,-0.0 0.344 122.0-105.6 -85.1 5.4 32.5 45.5 14.7 15 15 A G S < S+ 0 0 44 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.547 73.5 140.3 84.4 10.3 30.0 46.3 17.6 16 16 A D - 0 0 60 1,-0.0 -4,-2.5 -5,-0.0 2,-0.3 -0.650 49.9-125.6 -87.0 141.2 30.0 50.0 17.1 17 17 A Q E +A 11 0A 125 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.660 35.8 166.9 -87.2 138.2 26.7 51.9 17.5 18 18 A K E -A 10 0A 16 -8,-2.8 -8,-2.6 -2,-0.3 2,-0.3 -0.970 34.7-119.3-143.7 166.3 25.5 54.2 14.8 19 19 A N E -A 9 0A 103 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.781 32.1-167.8-101.5 146.2 22.3 56.0 13.6 20 20 A I E -A 8 0A 3 -12,-2.1 -12,-3.0 -2,-0.3 2,-0.4 -0.981 25.6-110.6-134.0 152.5 21.0 55.0 10.3 21 21 A N E +A 7 0A 40 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.639 45.3 173.1 -84.2 122.7 18.3 56.7 8.0 22 22 A T E -A 6 0A 1 -16,-2.1 -16,-2.2 -2,-0.4 2,-0.4 -0.680 26.9-129.2-123.5 175.4 15.1 54.5 7.9 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.2 -18,-0.2 2,-0.6 -0.994 17.1-143.9-127.3 137.3 11.6 54.9 6.4 24 24 A Y E +AC 4 28A 95 -20,-3.0 -20,-2.2 -2,-0.4 4,-0.2 -0.845 39.1 137.7-110.9 123.7 8.5 54.2 8.4 25 25 A S S S- 0 0 46 2,-2.9 2,-3.6 -2,-0.6 -22,-0.1 -0.753 94.5 -48.7-154.2 89.1 5.3 52.6 6.9 26 26 A T S S+ 0 0 118 -2,-0.2 2,-0.3 32,-0.0 -2,-0.1 -0.206 140.3 36.7 69.6 -55.8 3.9 50.1 9.3 27 27 A Y S S- 0 0 117 -2,-3.6 -2,-2.9 32,-0.0 2,-0.5 -0.732 95.2-110.2-109.2 174.3 7.4 48.7 9.7 28 28 A Y E -CD 24 57A 53 29,-3.0 29,-2.8 -2,-0.3 2,-0.3 -0.896 39.5-159.3-100.6 129.8 10.6 50.6 9.7 29 29 A Y E -CD 23 56A 43 -6,-3.2 2,-2.3 -2,-0.5 -6,-1.9 -0.816 29.2-115.7-113.3 155.4 12.6 49.9 6.6 30 30 A L S S+ 0 0 0 25,-2.1 11,-2.1 11,-0.3 2,-0.4 -0.519 72.5 127.3 -80.5 76.7 16.3 50.3 5.7 31 31 A Q E -E 40 0B 10 -2,-2.3 2,-0.7 9,-0.2 9,-0.2 -0.960 45.0-159.9-137.2 113.0 15.4 52.9 3.1 32 32 A D E > -E 39 0B 2 7,-3.0 7,-1.5 -2,-0.4 3,-0.6 -0.895 9.7-178.4-100.0 112.0 17.3 56.2 3.3 33 33 A N T 3 + 0 0 59 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.430 68.0 79.6 -89.8 2.0 15.5 59.0 1.5 34 34 A T T 3 S+ 0 0 88 1,-0.2 2,-0.6 5,-0.1 -1,-0.2 0.600 82.2 67.2 -83.1 -13.0 18.1 61.6 2.2 35 35 A R S X S- 0 0 45 -3,-0.6 3,-2.6 4,-0.1 -1,-0.2 -0.913 109.9 -68.8-120.5 112.5 20.5 60.6 -0.5 36 36 A G T 3 S- 0 0 26 -2,-0.6 62,-0.1 1,-0.3 3,-0.1 -0.187 112.8 -17.2 47.8-137.1 19.6 61.0 -4.2 37 37 A D T 3 S- 0 0 108 60,-1.5 -1,-0.3 1,-0.3 62,-0.2 0.309 120.5 -81.3 -81.3 15.1 16.9 58.6 -5.2 38 38 A G < - 0 0 1 -3,-2.6 62,-2.5 60,-0.1 2,-0.4 -0.124 27.5-110.5 109.0 150.7 17.5 56.5 -2.1 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-3.0 60,-0.2 2,-0.4 -0.995 36.1-170.8-120.2 127.3 19.7 53.9 -0.5 40 40 A F E -Ef 31 101B 20 60,-2.2 62,-2.1 -2,-0.4 2,-0.4 -0.987 8.6-162.0-126.4 132.2 18.0 50.5 0.0 41 41 A T E - f 0 102B 0 -11,-2.1 14,-3.0 -2,-0.4 -11,-0.3 -0.961 11.9-167.8-121.4 132.4 19.2 47.5 1.9 42 42 A Y E -Gf 54 103B 31 60,-2.8 62,-2.1 -2,-0.4 2,-0.6 -0.829 21.8-126.2-120.9 157.0 17.8 44.0 1.5 43 43 A D E -Gf 53 104B 23 10,-2.8 10,-2.0 -2,-0.3 62,-0.2 -0.881 13.4-172.4-101.4 122.7 18.0 40.7 3.2 44 44 A A > - 0 0 4 60,-2.8 3,-2.4 -2,-0.6 5,-0.2 0.465 31.2-141.2 -89.1 -4.7 19.0 37.8 0.9 45 45 A K T 3 - 0 0 111 59,-0.3 61,-0.2 1,-0.3 60,-0.1 0.802 63.8 -56.4 50.6 41.0 18.2 35.3 3.9 46 46 A Y T 3 S+ 0 0 107 59,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.588 115.1 111.8 69.6 17.3 21.1 33.1 3.1 47 47 A R S < S- 0 0 169 -3,-2.4 60,-2.0 58,-0.4 -1,-0.3 -0.567 70.1-130.8-112.9 180.0 20.0 32.5 -0.4 48 48 A T S S+ 0 0 83 -2,-0.2 2,-0.4 58,-0.2 -3,-0.1 0.391 71.4 110.5-112.1 1.9 21.4 33.5 -3.8 49 49 A T S S- 0 0 101 -5,-0.2 -2,-0.2 2,-0.0 58,-0.1 -0.619 72.1 -99.4 -75.6 130.7 18.2 34.9 -5.3 50 50 A L S S- 0 0 53 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.862 79.5 -3.3-120.4 150.3 18.5 38.7 -5.6 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.983 78.5-165.7 -83.6 -15.1 17.8 41.2 -4.3 52 52 A G - 0 0 33 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.841 45.2 -25.9 104.3-156.3 15.8 39.6 -1.6 53 53 A S E -G 43 0B 49 -10,-2.0 -10,-2.8 -2,-0.3 -8,-0.1 -0.902 66.7-108.1-101.5 133.8 13.3 41.5 0.8 54 54 A L E -G 42 0B 36 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.3 -0.311 54.1 -95.4 -57.9 138.5 13.7 45.2 1.5 55 55 A W - 0 0 12 -14,-3.0 -25,-2.1 -25,-0.3 2,-0.4 -0.471 49.9-173.5 -68.9 125.0 14.9 45.1 5.1 56 56 A A E -D 29 0A 45 -2,-0.4 2,-0.4 -27,-0.2 -27,-0.2 -0.908 5.8-178.9-119.0 136.3 11.9 45.6 7.6 57 57 A D E -D 28 0A 21 -29,-2.8 -29,-3.0 -2,-0.4 3,-0.1 -0.986 25.3-138.5-135.7 144.8 12.2 46.0 11.4 58 58 A A S S+ 0 0 75 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.811 93.6 20.0 -75.7 -29.4 9.5 46.4 13.9 59 59 A D S S- 0 0 96 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.323 95.3-110.0-128.7 18.3 10.9 49.0 16.2 60 60 A N S S+ 0 0 20 1,-0.2 -51,-1.6 -32,-0.2 2,-0.4 0.620 83.6 114.3 67.7 15.5 13.6 51.0 14.5 61 61 A Q E -b 9 0A 95 -53,-0.2 2,-0.4 -51,-0.0 -2,-0.3 -0.975 45.4-169.7-120.1 127.9 16.3 49.4 16.7 62 62 A F E +b 10 0A 1 -53,-2.8 -51,-2.3 -2,-0.4 9,-0.1 -0.548 40.8 123.3-121.5 69.4 18.9 47.2 15.1 63 63 A F + 0 0 69 -2,-0.4 -1,-0.2 -53,-0.2 2,-0.1 0.406 39.1 107.2-107.2 -1.2 20.8 45.5 17.8 64 64 A A S >> S- 0 0 53 -3,-0.2 3,-1.2 1,-0.1 4,-0.8 -0.437 76.5-121.5 -72.3 149.8 20.3 41.8 16.9 65 65 A S G >4 S+ 0 0 111 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.889 113.6 59.6 -66.0 -28.2 23.3 40.1 15.5 66 66 A Y G 34 S+ 0 0 70 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.781 102.8 56.3 -63.6 -23.1 21.5 39.2 12.4 67 67 A D G <> S+ 0 0 16 -3,-1.2 4,-2.1 1,-0.2 3,-0.4 0.742 84.0 85.7 -79.4 -22.4 21.0 42.9 11.9 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.866 112.7 51.6 -65.5 -30.2 25.7 43.4 8.3 70 70 A A H > S+ 0 0 0 -3,-0.4 4,-2.6 -4,-0.4 5,-0.3 0.924 106.6 52.6 -75.7 -37.3 22.7 45.3 7.2 71 71 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 -60,-0.2 5,-0.2 0.957 114.9 42.9 -56.3 -48.9 23.4 48.3 9.5 72 72 A D H X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 5,-0.4 0.901 111.7 49.8 -68.8 -42.3 26.8 48.6 8.1 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.922 116.1 46.4 -60.4 -40.7 26.0 48.1 4.4 74 74 A H H X S+ 0 0 3 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.949 117.4 40.9 -67.7 -47.3 23.3 50.7 4.8 75 75 A Y H X S+ 0 0 94 -4,-2.9 4,-2.1 -5,-0.3 -2,-0.2 0.935 115.4 49.5 -67.4 -43.1 25.5 53.2 6.7 76 76 A Y H X S+ 0 0 11 -4,-3.0 4,-2.5 1,-0.3 -1,-0.2 0.841 106.1 55.8 -69.0 -32.2 28.6 52.8 4.7 77 77 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.4 -1,-0.3 0.892 107.4 52.1 -64.2 -38.1 26.8 53.1 1.4 78 78 A G H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.940 110.3 47.1 -60.2 -49.4 25.6 56.5 2.8 79 79 A V H X S+ 0 0 16 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.897 111.7 50.2 -56.8 -44.9 29.1 57.6 3.6 80 80 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.906 109.4 50.6 -61.7 -43.2 30.4 56.5 0.2 81 81 A Y H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.941 111.3 51.3 -58.6 -42.9 27.6 58.5 -1.5 82 82 A D H X S+ 0 0 40 -4,-3.0 4,-3.3 1,-0.2 5,-0.4 0.929 106.0 53.0 -62.0 -43.8 28.6 61.4 0.6 83 83 A Y H X>S+ 0 0 11 -4,-2.6 4,-2.9 1,-0.2 5,-0.7 0.956 111.1 46.1 -54.8 -55.0 32.3 61.2 -0.4 84 84 A Y H X5S+ 0 0 2 -4,-2.2 6,-2.6 1,-0.2 4,-1.0 0.882 118.0 43.1 -57.7 -40.0 31.5 61.2 -4.1 85 85 A K H X5S+ 0 0 92 -4,-2.2 4,-1.2 4,-0.3 -2,-0.2 0.958 120.0 39.0 -72.7 -48.9 29.1 64.0 -3.8 86 86 A N H <5S+ 0 0 97 -4,-3.3 -2,-0.2 -5,-0.3 -3,-0.2 0.884 127.1 31.7 -70.2 -38.3 31.1 66.2 -1.4 87 87 A V H <5S+ 0 0 49 -4,-2.9 -3,-0.2 -5,-0.4 -1,-0.2 0.852 136.0 18.3 -91.4 -38.6 34.5 65.6 -2.9 88 88 A H H < - 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0 0 62 -2,-0.2 3,-1.7 -122,-0.1 -120,-0.1 -0.764 40.1 -88.9-131.8 170.1 38.3 53.9 -22.0 277 277 A P T 3 S+ 0 0 61 0, 0.0 -121,-2.5 0, 0.0 -123,-0.1 0.775 124.3 36.9 -54.2 -29.7 37.1 50.3 -21.8 278 278 A T T 3 S+ 0 0 96 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.199 80.5 142.9-113.4 19.3 40.3 48.9 -23.2 279 279 A S < - 0 0 3 -3,-1.7 -115,-0.2 -126,-0.1 2,-0.1 -0.341 33.6-156.4 -60.0 139.7 42.8 51.2 -21.6 280 280 A N > - 0 0 63 -119,-0.1 4,-2.5 -120,-0.1 5,-0.2 -0.424 35.4 -87.2-107.9-179.4 46.1 49.5 -20.6 281 281 A F H > S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.904 126.9 51.6 -59.1 -41.0 48.7 50.6 -18.0 282 282 A S H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.882 110.1 48.9 -64.4 -36.6 50.6 52.7 -20.3 283 283 A Q H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.887 107.3 56.8 -71.8 -31.7 47.4 54.5 -21.3 284 284 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.925 104.9 51.9 -62.7 -37.7 46.6 54.9 -17.6 285 285 A R H X S+ 0 0 31 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.952 109.7 47.9 -64.5 -42.4 49.9 56.7 -17.2 286 286 A A H X S+ 0 0 64 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.914 113.0 50.9 -62.6 -37.1 49.2 59.1 -20.1 287 287 A A H X S+ 0 0 8 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.895 110.7 46.5 -65.9 -41.0 45.7 59.7 -18.6 288 288 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.908 112.9 49.0 -70.1 -41.8 47.1 60.5 -15.2 289 289 A V H X S+ 0 0 26 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.945 113.2 47.0 -66.2 -43.8 49.7 62.8 -16.5 290 290 A Q H X S+ 0 0 84 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.912 111.9 50.5 -63.4 -40.7 47.2 64.7 -18.7 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.909 111.5 47.2 -59.6 -49.5 44.7 65.0 -15.8 292 292 A A H X S+ 0 0 0 -4,-2.5 4,-3.8 2,-0.2 5,-0.4 0.897 112.6 52.2 -61.7 -36.8 47.5 66.4 -13.4 293 293 A T H X S+ 0 0 37 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.906 108.8 49.4 -61.3 -47.5 48.4 68.8 -16.3 294 294 A D H < S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.861 120.3 37.2 -58.7 -44.5 44.9 69.9 -16.7 295 295 A L H < S+ 0 0 67 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.870 133.4 12.9 -81.7 -40.4 44.6 70.5 -13.0 296 296 A Y H < S- 0 0 62 -4,-3.8 -3,-0.2 -5,-0.2 -2,-0.2 0.408 105.7 -96.1-120.9 0.7 48.0 71.9 -11.9 297 297 A G >< - 0 0 30 -4,-1.7 3,-2.2 -5,-0.4 6,-0.4 0.216 33.3 -89.4 97.6 141.6 50.0 72.8 -14.9 298 298 A S T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.810 124.7 48.1 -59.7 -28.8 52.6 71.1 -17.0 299 299 A T T 3 S+ 0 0 140 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.312 89.0 126.1 -98.6 15.8 55.4 72.3 -15.0 300 300 A S <> - 0 0 15 -3,-2.2 4,-2.1 1,-0.1 5,-0.1 -0.231 69.0-129.3 -71.3 155.1 53.9 71.4 -11.8 301 301 A Q H > S+ 0 0 91 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.827 110.8 62.3 -65.2 -29.9 55.4 69.3 -9.1 302 302 A E H > S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.955 104.9 44.9 -63.9 -48.1 52.1 67.3 -9.3 303 303 A V H > S+ 0 0 9 -6,-0.4 4,-2.6 -11,-0.2 -2,-0.2 0.949 111.3 54.9 -59.2 -43.7 52.8 66.3 -12.8 304 304 A A H X S+ 0 0 33 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.927 109.2 46.4 -54.2 -49.5 56.4 65.6 -11.9 305 305 A S H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.869 107.7 55.1 -64.6 -40.9 55.3 63.1 -9.1 306 306 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.947 112.0 46.3 -61.0 -40.7 52.8 61.3 -11.2 307 307 A K H X S+ 0 0 99 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.958 111.7 49.5 -61.8 -48.3 55.6 60.7 -13.7 308 308 A Q H X S+ 0 0 54 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.895 109.9 52.5 -55.8 -45.9 58.1 59.6 -11.0 309 309 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.924 110.1 46.3 -62.0 -46.8 55.6 57.1 -9.5 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.4 -5,-0.2 4,-0.5 0.933 112.7 50.5 -63.8 -41.8 54.9 55.5 -12.8 311 311 A D H ><5S+ 0 0 57 -4,-2.5 3,-1.4 -5,-0.3 -2,-0.2 0.925 105.4 57.7 -58.9 -40.8 58.5 55.2 -13.6 312 312 A A H 3<5S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.811 109.6 44.0 -60.2 -30.8 59.1 53.7 -10.1 313 313 A V T 3<5S- 0 0 0 -4,-1.4 -96,-2.9 -3,-0.4 -1,-0.3 0.341 118.8-109.6 -98.8 8.7 56.7 50.9 -10.9 314 314 A G T < 5S+ 0 0 16 -3,-1.4 2,-0.6 -4,-0.5 -3,-0.2 0.659 70.2 139.4 81.3 13.4 58.1 50.4 -14.3 315 315 A V < 0 0 3 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.846 360.0 360.0 -99.8 119.4 55.1 51.7 -16.4 316 316 A K 0 0 153 -2,-0.6 -31,-0.2 -3,-0.1 -30,-0.1 -0.736 360.0 360.0-108.9 360.0 56.1 53.7 -19.3 317 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 318 323 A L 0 0 19 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 360.0 36.6 42.2 -3.9