==== 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 1PE8 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR D.JUERS,H.-J.PYUN,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) . 12520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 70.3 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 . 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 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 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,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 147.5 8.2 52.0 -0.1 2 2 A T + 0 0 135 21,-0.1 2,-0.3 23,-0.1 21,-0.0 -0.909 360.0 102.2-106.6 128.7 6.3 55.3 0.6 3 3 A G - 0 0 36 -2,-0.5 2,-0.5 22,-0.0 22,-0.2 -0.898 69.1 -46.4-172.6-156.2 6.3 56.5 4.2 4 4 A T E -A 24 0A 92 20,-2.3 20,-3.6 -2,-0.3 2,-0.2 -0.853 49.3-122.6-103.5 130.4 7.9 58.8 6.7 5 5 A S E +A 23 0A 70 -2,-0.5 18,-0.2 18,-0.2 2,-0.2 -0.443 45.5 154.0 -68.2 135.0 11.6 59.4 6.9 6 6 A T E -A 22 0A 49 16,-2.7 16,-2.0 -2,-0.2 2,-0.4 -0.804 39.2-111.0-146.6-172.9 13.1 58.7 10.3 7 7 A V E -A 21 0A 77 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.990 27.7-178.3-130.3 128.1 16.3 57.7 12.1 8 8 A G E -A 20 0A 4 12,-3.6 12,-2.2 -2,-0.4 2,-0.4 -0.531 16.5-134.0-113.3-178.4 16.9 54.4 13.8 9 9 A V E +Ab 19 61A 24 51,-1.6 53,-3.2 10,-0.3 2,-0.3 -0.983 30.8 145.1-136.9 146.2 20.0 53.2 15.8 10 10 A G E -Ab 18 62A 0 8,-2.6 8,-2.8 -2,-0.4 2,-0.4 -0.921 41.7 -95.5-157.8-166.2 21.9 49.9 15.7 11 11 A R E -A 17 0A 111 51,-2.0 6,-0.2 -2,-0.3 60,-0.2 -0.967 32.4-139.6-128.7 137.2 25.2 48.2 16.1 12 12 A G > - 0 0 4 4,-2.8 3,-2.3 -2,-0.4 56,-0.2 -0.155 39.1 -82.5 -87.0-176.7 27.5 47.2 13.2 13 13 A V T 3 S+ 0 0 31 55,-0.6 122,-0.1 1,-0.3 55,-0.1 0.828 129.6 50.6 -56.7 -38.3 29.6 44.1 12.6 14 14 A L T 3 S- 0 0 76 54,-0.1 -1,-0.3 2,-0.1 121,-0.0 0.370 122.5-104.4 -83.9 4.8 32.4 45.4 14.7 15 15 A G S < S+ 0 0 40 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.575 73.9 139.7 89.5 4.4 30.0 46.2 17.6 16 16 A D - 0 0 47 1,-0.0 -4,-2.8 0, 0.0 2,-0.3 -0.669 49.5-125.5 -89.0 145.8 29.9 49.9 17.2 17 17 A Q E +A 11 0A 112 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.666 36.1 162.7 -89.3 137.8 26.7 51.9 17.5 18 18 A K E -A 10 0A 14 -8,-2.8 -8,-2.6 -2,-0.3 2,-0.3 -0.982 35.4-118.4-147.9 162.9 25.5 54.1 14.8 19 19 A N E -A 9 0A 105 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.771 31.4-167.6 -98.2 148.0 22.3 55.9 13.6 20 20 A I E -A 8 0A 3 -12,-2.2 -12,-3.6 -2,-0.3 2,-0.5 -0.982 25.0-109.3-135.5 153.8 20.9 55.0 10.3 21 21 A N E +A 7 0A 39 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.655 44.8 171.2 -84.4 125.5 18.3 56.6 8.0 22 22 A T E -A 6 0A 1 -16,-2.0 -16,-2.7 -2,-0.5 2,-0.4 -0.678 28.1-128.8-128.7 172.2 15.1 54.5 7.8 23 23 A T E -AC 5 29A 0 6,-1.6 6,-2.8 -18,-0.2 2,-0.6 -0.997 18.5-142.5-126.7 133.9 11.6 54.9 6.4 24 24 A Y E +AC 4 28A 98 -20,-3.6 -20,-2.3 -2,-0.4 4,-0.2 -0.826 40.3 137.1-105.3 125.2 8.5 54.2 8.4 25 25 A S S S- 0 0 45 2,-3.0 2,-2.8 -2,-0.6 -23,-0.1 -0.603 93.0 -48.6-159.8 82.2 5.4 52.6 7.0 26 26 A T S S+ 0 0 117 -2,-0.1 2,-0.3 32,-0.0 -2,-0.1 -0.322 140.3 35.0 79.6 -61.1 3.9 50.0 9.4 27 27 A Y S S- 0 0 116 -2,-2.8 -2,-3.0 32,-0.0 2,-0.5 -0.737 95.5-110.3-108.3 170.7 7.4 48.6 9.7 28 28 A Y E -CD 24 57A 55 29,-3.5 29,-2.8 -2,-0.3 2,-0.3 -0.913 39.8-160.4 -98.8 128.6 10.7 50.6 9.7 29 29 A Y E -CD 23 56A 42 -6,-2.8 2,-2.2 -2,-0.5 -6,-1.6 -0.766 28.7-114.7-109.2 153.0 12.6 49.8 6.6 30 30 A L S S+ 0 0 0 25,-2.1 11,-2.0 11,-0.3 2,-0.4 -0.545 72.5 127.3 -82.3 79.1 16.3 50.2 5.6 31 31 A Q E -E 40 0B 9 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.943 46.0-158.2-139.6 115.1 15.5 52.8 3.0 32 32 A D E > -E 39 0B 2 7,-2.9 7,-1.4 -2,-0.4 3,-0.6 -0.866 10.8-179.1-100.3 112.2 17.3 56.1 3.2 33 33 A N T 3 + 0 0 60 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.490 67.5 79.0 -90.9 -0.7 15.5 58.9 1.5 34 34 A T T 3 S+ 0 0 84 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.570 83.2 65.2 -82.7 -9.6 18.0 61.6 2.2 35 35 A R S X S- 0 0 48 -3,-0.6 3,-2.5 4,-0.1 -1,-0.1 -0.922 109.6 -63.9-122.2 116.0 20.4 60.6 -0.5 36 36 A G T 3 S- 0 0 27 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.217 114.5 -19.2 51.8-142.6 19.6 60.9 -4.2 37 37 A D T 3 S- 0 0 109 60,-1.8 -1,-0.3 1,-0.2 62,-0.2 0.244 119.7 -81.1 -80.1 13.8 16.9 58.6 -5.2 38 38 A G < - 0 0 1 -3,-2.5 62,-2.2 60,-0.1 2,-0.5 -0.079 28.4-109.6 112.3 153.6 17.5 56.5 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.4 -7,-2.9 60,-0.2 2,-0.4 -0.995 35.7-171.1-119.6 129.3 19.7 53.8 -0.5 40 40 A F E -Ef 31 101B 22 60,-2.7 62,-2.1 -2,-0.5 2,-0.4 -0.988 8.0-163.0-125.1 131.0 17.9 50.5 0.0 41 41 A T E - f 0 102B 0 -11,-2.0 14,-2.5 -2,-0.4 -11,-0.3 -0.960 11.9-164.5-120.4 137.2 19.3 47.4 1.9 42 42 A Y E -Gf 54 103B 30 60,-2.7 62,-2.2 -2,-0.4 2,-0.6 -0.800 21.2-125.4-122.8 154.2 17.8 43.9 1.5 43 43 A D E -Gf 53 104B 23 10,-2.9 10,-2.0 -2,-0.3 62,-0.2 -0.890 15.4-173.4 -97.0 118.2 17.9 40.7 3.3 44 44 A A > - 0 0 4 60,-3.0 3,-3.1 -2,-0.6 5,-0.3 0.450 29.5-143.4 -89.8 0.8 19.0 37.8 1.0 45 45 A K T 3 - 0 0 111 1,-0.3 61,-0.1 59,-0.3 60,-0.1 0.744 63.6 -57.7 43.8 42.0 18.2 35.3 3.9 46 46 A Y T 3 S+ 0 0 106 59,-2.8 -1,-0.3 1,-0.3 60,-0.2 0.543 114.8 112.5 70.6 13.5 21.1 33.1 3.1 47 47 A R < - 0 0 174 -3,-3.1 60,-2.5 58,-0.3 -1,-0.3 -0.474 68.5-131.9-105.2-179.6 19.8 32.5 -0.5 48 48 A T S S+ 0 0 83 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.290 71.1 109.4-116.5 8.4 21.3 33.5 -3.8 49 49 A T S S- 0 0 95 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.698 72.5 -97.8 -85.3 132.7 18.2 34.9 -5.3 50 50 A L S S- 0 0 56 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.864 80.0 -4.0-121.0 153.3 18.5 38.7 -5.5 51 51 A P S S- 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.991 78.3-167.3 -84.2 -13.2 17.8 41.2 -4.2 52 52 A G - 0 0 34 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.765 46.4 -25.7 101.0-150.2 15.8 39.5 -1.7 53 53 A S E -G 43 0B 52 -10,-2.0 -10,-2.9 -2,-0.3 -8,-0.1 -0.847 66.1-105.3-108.9 138.1 13.3 41.5 0.6 54 54 A L E -G 42 0B 34 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.3 -0.308 53.4 -98.2 -57.3 133.3 13.7 45.1 1.6 55 55 A W - 0 0 11 -14,-2.5 -25,-2.1 -25,-0.3 2,-0.4 -0.409 48.2-173.7 -65.2 124.0 14.9 45.0 5.1 56 56 A A E -D 29 0A 44 -2,-0.4 2,-0.3 -27,-0.2 -27,-0.2 -0.901 5.9-178.4-119.9 138.6 11.9 45.5 7.6 57 57 A D E -D 28 0A 22 -29,-2.8 -29,-3.5 -2,-0.4 5,-0.1 -0.988 24.4-138.7-138.5 146.2 12.2 45.9 11.3 58 58 A A S S+ 0 0 74 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.778 94.3 19.9 -76.4 -29.4 9.5 46.4 13.9 59 59 A D S S- 0 0 90 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.379 95.1-112.1-130.3 16.2 10.9 48.9 16.2 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.6 -32,-0.2 2,-0.5 0.683 82.5 112.8 64.7 18.8 13.6 50.9 14.5 61 61 A Q E -b 9 0A 100 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.991 46.6-168.1-124.0 128.8 16.4 49.4 16.7 62 62 A F E +b 10 0A 0 -53,-3.2 -51,-2.0 -2,-0.5 9,-0.1 -0.557 40.9 124.4-121.3 68.1 18.9 47.2 15.1 63 63 A F + 0 0 84 -2,-0.3 2,-0.1 -53,-0.2 -1,-0.1 0.348 39.7 110.3-103.8 0.2 20.9 45.5 17.8 64 64 A A S >> S- 0 0 51 -3,-0.2 3,-1.1 1,-0.1 4,-1.0 -0.457 74.6-124.3 -73.6 152.1 20.3 41.8 16.9 65 65 A S G >4 S+ 0 0 112 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.894 112.2 57.8 -69.3 -27.4 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 0.747 103.4 58.6 -68.5 -20.1 21.5 39.1 12.3 67 67 A D G X> S+ 0 0 17 -3,-1.1 4,-2.3 1,-0.2 3,-0.9 0.788 83.2 85.3 -76.4 -26.4 21.0 42.9 11.9 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.852 112.9 50.7 -67.0 -29.6 25.7 43.4 8.4 70 70 A A H <> S+ 0 0 0 -3,-0.9 4,-2.4 -4,-0.4 5,-0.3 0.908 106.5 53.8 -74.7 -39.6 22.7 45.3 7.2 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 -60,-0.2 5,-0.2 0.960 114.6 42.1 -53.6 -51.3 23.3 48.2 9.5 72 72 A D H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.906 112.1 51.0 -68.2 -39.6 26.8 48.5 8.1 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.896 115.6 44.3 -63.7 -38.0 26.0 48.0 4.5 74 74 A H H X S+ 0 0 3 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.949 118.1 42.5 -70.7 -48.6 23.3 50.7 4.7 75 75 A Y H X S+ 0 0 91 -4,-2.9 4,-2.2 -5,-0.3 3,-0.2 0.930 114.9 49.7 -64.1 -46.6 25.4 53.2 6.7 76 76 A Y H X S+ 0 0 6 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.815 106.3 55.2 -68.4 -28.0 28.6 52.7 4.6 77 77 A A H X S+ 0 0 0 -4,-1.3 4,-2.4 -5,-0.4 -1,-0.3 0.907 107.2 51.0 -67.8 -37.3 26.8 53.1 1.4 78 78 A G H X S+ 0 0 0 -4,-1.6 4,-2.8 -3,-0.2 -2,-0.2 0.949 110.5 49.0 -64.6 -45.2 25.5 56.5 2.7 79 79 A V H X S+ 0 0 16 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.918 111.7 49.2 -55.8 -44.3 29.1 57.6 3.6 80 80 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.901 109.6 51.1 -62.0 -42.5 30.4 56.5 0.2 81 81 A Y H X S+ 0 0 15 -4,-2.4 4,-1.9 1,-0.2 5,-0.3 0.927 110.4 51.5 -61.6 -40.8 27.6 58.5 -1.5 82 82 A D H X S+ 0 0 41 -4,-2.8 4,-2.9 1,-0.2 5,-0.4 0.909 106.2 53.4 -62.4 -43.3 28.6 61.4 0.6 83 83 A Y H X>S+ 0 0 11 -4,-2.5 4,-3.0 1,-0.2 5,-0.8 0.963 111.0 45.4 -56.5 -53.3 32.2 61.2 -0.4 84 84 A Y H X5S+ 0 0 5 -4,-2.1 6,-3.1 3,-0.2 4,-0.9 0.863 118.2 42.2 -61.4 -35.3 31.5 61.2 -4.1 85 85 A K H X5S+ 0 0 91 -4,-1.9 4,-1.3 4,-0.3 -1,-0.2 0.946 121.7 38.1 -76.8 -47.0 29.1 64.0 -3.9 86 86 A N H <5S+ 0 0 87 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.847 127.2 33.8 -70.6 -39.6 31.0 66.2 -1.5 87 87 A V H <5S+ 0 0 56 -4,-3.0 -3,-0.2 -5,-0.4 -1,-0.2 0.816 135.3 17.2 -87.8 -39.8 34.4 65.5 -2.9 88 88 A H H < - 0 0 64 -2,-0.5 6,-2.4 4,-0.2 4,-0.5 -0.832 64.4 -45.1 -97.4 106.2 25.6 62.3 -7.6 92 92 A S T >4 S- 0 0 5 -2,-0.9 3,-0.7 -11,-0.2 5,-0.1 0.085 93.0 -55.7 61.2-170.9 25.5 58.5 -7.0 93 93 A Y T 34 S+ 0 0 21 5,-0.3 -1,-0.2 1,-0.3 58,-0.2 0.843 138.3 44.1 -75.8 -22.9 27.3 56.1 -9.3 94 94 A D T 34 S- 0 0 47 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.2 0.524 107.9-119.6 -97.4 -0.9 25.6 57.1 -12.5 95 95 A G S << S+ 0 0 33 -3,-0.7 -4,-0.2 -4,-0.5 -3,-0.2 0.550 100.7 80.9 78.8 3.7 26.0 60.8 -11.8 96 96 A N S S- 0 0 126 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.063 113.3 -95.5-129.7 30.9 22.2 61.2 -11.9 97 97 A N - 0 0 36 -6,-2.4 -60,-1.8 1,-0.1 -5,-0.2 0.750 53.9-175.2 60.3 33.3 21.3 60.0 -8.4 98 98 A A - 0 0 17 -7,-0.4 -5,-0.3 -62,-0.1 -1,-0.1 -0.197 36.1 -97.5 -52.3 142.7 20.5 56.4 -9.3 99 99 A A - 0 0 15 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.364 36.0-136.4 -64.9 139.8 19.1 54.4 -6.1 100 100 A I E -f 39 0B 2 -62,-2.2 -60,-2.7 -3,-0.1 2,-0.4 -0.916 24.1-171.8-102.7 124.5 21.8 52.4 -4.5 101 101 A R E +f 40 0B 88 -2,-0.6 19,-2.6 17,-0.3 2,-0.3 -0.949 9.0 176.8-123.2 146.1 20.9 48.9 -3.5 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-2.7 -2,-0.4 2,-0.4 -0.999 13.5-154.7-140.2 145.1 22.7 46.2 -1.4 103 103 A S E -fh 42 121B 0 17,-2.1 19,-2.1 -2,-0.3 2,-0.2 -0.966 12.9-167.6-118.9 145.2 21.8 42.8 -0.2 104 104 A V E +f 43 0B 0 -62,-2.2 -60,-3.0 -2,-0.4 -59,-0.3 -0.672 64.8 42.5-119.2 171.0 23.3 41.1 2.9 105 105 A H E S+ 0 0 6 17,-0.3 -59,-2.8 -2,-0.2 2,-0.4 0.879 75.4 175.5 56.2 42.2 23.3 37.5 4.2 106 106 A Y E - 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0 0 72 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.786 29.1-121.6 -91.9 130.1 57.8 63.2 -3.7 257 257 A G - 0 0 28 -2,-0.6 -12,-0.2 -11,-0.4 -11,-0.2 -0.357 23.9-173.1 -63.4 141.9 54.3 62.7 -2.2 258 258 A I - 0 0 25 -14,-3.1 4,-0.4 1,-0.2 -13,-0.2 0.395 47.1-110.8-116.2 -0.4 51.5 65.2 -3.2 259 259 A G > - 0 0 25 -14,-2.0 4,-1.6 -15,-0.5 -1,-0.2 0.018 27.5 -76.1 94.9 163.3 48.9 63.9 -0.7 260 260 A R H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.792 119.8 57.6 -67.6 -42.2 45.5 62.0 -0.9 261 261 A D H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.938 110.7 41.6 -59.3 -47.0 43.3 64.8 -2.0 262 262 A K H > S+ 0 0 75 -4,-0.4 4,-3.2 2,-0.2 -1,-0.2 0.879 110.8 57.6 -66.1 -38.1 45.3 65.5 -5.1 263 263 A L H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 5,-0.2 0.954 109.6 46.6 -53.9 -49.1 45.7 61.7 -5.7 264 264 A G H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.888 111.7 49.9 -61.6 -42.2 41.8 61.5 -5.7 265 265 A K H X S+ 0 0 100 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.938 113.7 45.6 -67.6 -41.0 41.3 64.5 -8.0 266 266 A I H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.930 115.5 43.8 -66.4 -47.2 43.8 63.2 -10.5 267 267 A F H X S+ 0 0 1 -4,-3.0 4,-2.8 -5,-0.2 -2,-0.2 0.883 113.1 53.0 -66.7 -33.4 42.5 59.6 -10.6 268 268 A Y H X S+ 0 0 33 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.910 110.3 47.1 -66.7 -41.4 38.9 60.7 -10.7 269 269 A R H X>S+ 0 0 70 -4,-2.0 4,-2.4 -5,-0.3 5,-0.5 0.935 111.6 50.3 -65.9 -41.8 39.5 63.0 -13.6 270 270 A A H X>S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 4,-2.0 0.943 113.9 47.2 -58.6 -47.4 41.5 60.2 -15.5 271 271 A L H <5S+ 0 0 1 -4,-2.8 -118,-0.3 1,-0.2 -1,-0.2 0.884 118.8 37.3 -58.3 -44.7 38.6 57.8 -14.8 272 272 A T H <5S+ 0 0 42 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.676 130.5 24.5 -88.2 -20.1 35.8 60.1 -15.9 273 273 A Q H <5S+ 0 0 117 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.706 128.5 21.6-113.7 -26.7 37.5 61.9 -18.8 274 274 A Y T < - 0 0 60 -2,-0.1 3,-1.7 -122,-0.1 -120,-0.1 -0.793 40.1 -90.4-131.2 169.4 38.2 53.9 -22.1 277 277 A P T 3 S+ 0 0 64 0, 0.0 -121,-3.2 0, 0.0 -123,-0.1 0.803 124.1 38.0 -54.1 -33.3 37.1 50.2 -21.8 278 278 A T T 3 S+ 0 0 92 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.214 81.0 142.1-107.1 15.4 40.3 48.8 -23.2 279 279 A S < - 0 0 3 -3,-1.7 -115,-0.2 -126,-0.1 2,-0.1 -0.320 34.8-153.5 -56.9 142.7 42.8 51.2 -21.7 280 280 A N > - 0 0 63 -119,-0.1 4,-2.3 -116,-0.1 5,-0.2 -0.419 34.5 -90.3-109.4-179.7 46.1 49.5 -20.6 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.900 127.0 52.9 -60.2 -37.6 48.6 50.5 -17.9 282 282 A S H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.916 110.1 48.4 -67.0 -34.2 50.6 52.6 -20.3 283 283 A Q H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 106.4 56.7 -71.7 -32.2 47.4 54.4 -21.3 284 284 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.911 105.1 53.3 -61.8 -38.1 46.5 54.9 -17.6 285 285 A R H X S+ 0 0 30 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.954 109.5 46.6 -62.3 -43.7 49.9 56.7 -17.2 286 286 A A H X S+ 0 0 63 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.920 113.4 50.8 -65.2 -35.0 49.1 59.1 -20.1 287 287 A A H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.922 110.5 47.1 -67.4 -42.4 45.7 59.7 -18.6 288 288 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.914 112.7 49.2 -69.1 -40.0 47.0 60.4 -15.2 289 289 A V H X S+ 0 0 29 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.932 111.8 48.9 -63.0 -45.3 49.7 62.8 -16.5 290 290 A Q H X S+ 0 0 84 -4,-2.4 4,-3.1 -5,-0.3 -2,-0.2 0.923 111.2 50.5 -63.5 -37.2 47.2 64.6 -18.7 291 291 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.905 111.7 45.7 -65.9 -44.1 44.8 64.9 -15.8 292 292 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.4 0.883 113.2 52.3 -65.2 -37.7 47.4 66.3 -13.5 293 293 A T H X S+ 0 0 35 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.940 109.3 49.4 -61.3 -49.2 48.5 68.6 -16.3 294 294 A D H < S+ 0 0 59 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.866 119.5 37.2 -55.5 -45.0 44.9 69.8 -16.7 295 295 A L H < S+ 0 0 69 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.797 133.8 14.1 -82.9 -32.4 44.5 70.5 -13.1 296 296 A Y H < S- 0 0 62 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.385 106.8 -92.1-128.2 0.2 47.9 71.9 -12.0 297 297 A G >< - 0 0 30 -4,-2.2 3,-2.3 -5,-0.4 6,-0.4 0.248 33.6 -94.2 101.2 135.6 50.0 72.8 -15.0 298 298 A S T 3 S+ 0 0 81 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.708 122.7 49.3 -65.1 -12.6 52.5 70.9 -17.0 299 299 A T T 3 S+ 0 0 137 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.255 88.3 122.4-108.5 17.1 55.4 72.2 -15.1 300 300 A S S <> S- 0 0 18 -3,-2.3 4,-2.0 1,-0.1 -3,-0.1 -0.350 72.8-124.0 -75.6 161.6 53.9 71.4 -11.8 301 301 A Q H > S+ 0 0 97 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.803 112.1 63.6 -61.7 -34.9 55.3 69.1 -9.1 302 302 A E H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 104.4 43.8 -58.6 -51.3 52.0 67.2 -9.3 303 303 A V H > S+ 0 0 9 -6,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.913 112.4 53.6 -60.5 -42.8 52.8 66.2 -12.8 304 304 A A H X S+ 0 0 42 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.928 109.1 48.0 -59.7 -46.3 56.3 65.4 -11.9 305 305 A S H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.857 108.0 54.2 -63.2 -38.4 55.2 63.1 -9.0 306 306 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.938 111.3 46.7 -63.0 -42.4 52.7 61.3 -11.2 307 307 A K H X S+ 0 0 105 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.941 112.7 47.9 -63.1 -43.5 55.6 60.6 -13.7 308 308 A Q H X S+ 0 0 76 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.891 108.9 54.9 -62.2 -42.4 58.1 59.4 -11.1 309 309 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.930 111.8 43.0 -59.3 -48.9 55.5 57.1 -9.5 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 3,-0.4 0.908 113.1 51.9 -66.7 -41.2 54.8 55.3 -12.8 311 311 A D H ><5S+ 0 0 44 -4,-2.5 3,-1.4 -5,-0.3 -1,-0.2 0.932 105.5 56.7 -59.6 -40.5 58.5 55.2 -13.6 312 312 A A H 3<5S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.811 110.3 43.2 -61.0 -30.1 59.1 53.7 -10.2 313 313 A V T 3<5S- 0 0 0 -4,-1.2 -96,-3.2 -3,-0.4 -1,-0.3 0.275 120.1-109.0 -98.1 7.6 56.7 50.7 -10.9 314 314 A G T < 5 + 0 0 17 -3,-1.4 2,-0.7 -4,-0.3 -3,-0.2 0.718 68.6 143.9 81.1 19.0 58.0 50.3 -14.3 315 315 A V < 0 0 4 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.849 360.0 360.0-104.2 113.8 55.1 51.6 -16.3 316 316 A K 0 0 147 -2,-0.7 -1,-0.2 -5,-0.1 -5,-0.1 0.706 360.0 360.0 -97.8 360.0 56.2 53.6 -19.5 317 ! 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 17 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 360.0 36.5 42.1 -3.8