==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 07-MAY-09 2WHZ . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR B.A.LUND,I.LEIROS,H.-K.S.LEIROS . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 70.1 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 33.0 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 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 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 84 0, 0.0 2,-0.4 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 156.7 8.6 51.7 -0.3 2 2 A T + 0 0 134 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.802 360.0 98.4 -85.0 135.1 6.4 54.9 0.2 3 3 A G - 0 0 40 -2,-0.4 2,-0.4 23,-0.0 22,-0.2 -0.962 69.7 -47.6 177.4-154.0 6.6 56.1 3.8 4 4 A T E -A 24 0A 88 20,-2.1 20,-2.9 -2,-0.3 2,-0.3 -0.865 49.0-116.1-113.9 131.0 8.2 58.6 6.2 5 5 A S E +A 23 0A 71 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.522 45.4 167.6 -70.8 129.8 11.9 59.2 6.6 6 6 A T E -A 22 0A 32 16,-2.7 16,-2.5 -2,-0.3 2,-0.5 -0.748 31.9-126.4-133.2 174.7 13.1 58.2 10.0 7 7 A V E -A 21 0A 90 14,-0.2 14,-0.2 -2,-0.2 2,-0.1 -0.962 26.6-177.6-134.4 114.8 16.4 57.6 11.7 8 8 A G E -A 20 0A 2 12,-2.9 12,-2.3 -2,-0.5 2,-0.3 -0.404 14.4-138.2 -98.4-175.1 17.2 54.3 13.4 9 9 A V E +Ab 19 61A 31 51,-1.6 53,-3.0 10,-0.3 2,-0.3 -0.991 30.1 142.4-145.7 144.7 20.3 53.2 15.4 10 10 A G E -Ab 18 62A 0 8,-2.2 8,-2.3 -2,-0.3 2,-0.4 -0.870 43.0 -95.6-159.2-170.5 22.2 49.9 15.5 11 11 A R E -A 17 0A 107 51,-1.9 60,-0.2 -2,-0.3 6,-0.2 -0.983 32.7-135.7-122.3 139.6 25.6 48.4 15.8 12 12 A G > - 0 0 4 4,-2.6 3,-2.0 -2,-0.4 56,-0.2 -0.116 40.6 -79.5 -77.1-174.8 27.8 47.3 12.9 13 13 A V T 3 S+ 0 0 30 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.785 130.6 47.4 -56.9 -33.8 29.9 44.2 12.4 14 14 A L T 3 S- 0 0 92 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.271 123.0-101.2 -98.6 10.5 32.7 45.4 14.6 15 15 A G S < S+ 0 0 47 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.543 73.3 143.6 84.4 9.1 30.4 46.5 17.4 16 16 A D - 0 0 59 1,-0.0 -4,-2.6 -5,-0.0 2,-0.4 -0.599 46.8-130.0 -79.4 133.9 30.4 50.2 16.7 17 17 A Q E +A 11 0A 131 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.708 36.2 163.6 -85.9 138.2 27.1 52.1 17.2 18 18 A K E -A 10 0A 15 -8,-2.3 -8,-2.2 -2,-0.4 2,-0.3 -0.994 35.9-114.9-152.5 154.6 25.8 54.3 14.4 19 19 A N E -A 9 0A 101 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.631 30.7-164.0 -88.0 144.4 22.7 56.0 13.2 20 20 A I E -A 8 0A 3 -12,-2.3 -12,-2.9 -2,-0.3 2,-0.4 -0.991 22.1-118.0-132.8 143.5 21.0 54.9 10.0 21 21 A N E +A 7 0A 42 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.669 43.2 171.3 -78.8 125.9 18.5 56.5 7.7 22 22 A T E -A 6 0A 1 -16,-2.5 -16,-2.7 -2,-0.4 2,-0.4 -0.692 28.9-127.3-128.0 173.4 15.3 54.4 7.5 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.5 -18,-0.2 2,-0.5 -0.998 19.1-144.2-129.2 129.3 11.7 54.6 6.1 24 24 A Y E +AC 4 28A 93 -20,-2.9 -20,-2.1 -2,-0.4 4,-0.2 -0.830 40.0 137.4 -98.7 121.6 8.6 53.9 8.2 25 25 A S S S- 0 0 44 2,-2.6 2,-2.4 -2,-0.5 -2,-0.0 -0.596 95.7 -47.6-155.2 95.2 5.5 52.2 6.7 26 26 A T S S+ 0 0 108 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.363 140.5 37.4 70.4 -59.7 4.2 49.7 9.3 27 27 A Y S S- 0 0 118 -2,-2.4 -2,-2.6 -4,-0.1 2,-0.6 -0.713 93.9-110.9-104.4 165.9 7.8 48.4 9.6 28 28 A Y E -CD 24 57A 60 29,-3.1 29,-2.2 -2,-0.2 2,-0.3 -0.907 39.7-160.1 -98.1 121.8 11.0 50.4 9.5 29 29 A Y E -CD 23 56A 42 -6,-3.5 2,-1.9 -2,-0.6 -6,-1.9 -0.716 28.4-112.0-104.6 148.6 12.9 49.6 6.3 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.6 11,-0.3 2,-0.4 -0.581 72.1 128.6 -74.2 83.0 16.6 50.1 5.5 31 31 A Q E -E 40 0B 10 -2,-1.9 2,-0.8 9,-0.2 9,-0.2 -0.951 45.0-158.4-149.1 110.7 15.8 52.8 2.9 32 32 A D E > -E 39 0B 4 7,-2.6 7,-1.7 -2,-0.4 3,-0.6 -0.883 9.7-178.2 -99.4 105.7 17.7 56.1 3.1 33 33 A N T 3 S+ 0 0 59 -2,-0.8 -1,-0.1 -11,-0.3 5,-0.1 0.469 70.3 77.4 -80.4 -2.6 15.7 58.8 1.3 34 34 A T T 3 S+ 0 0 83 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.578 84.2 64.0 -87.6 -10.4 18.3 61.5 1.9 35 35 A R S X S- 0 0 48 -3,-0.6 3,-2.2 4,-0.1 -1,-0.1 -0.931 111.9 -66.3-121.8 108.2 20.8 60.4 -0.7 36 36 A G T 3 S- 0 0 27 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.223 112.3 -16.5 54.5-136.3 19.8 60.6 -4.4 37 37 A N T 3 S- 0 0 108 60,-2.0 -1,-0.3 1,-0.3 62,-0.2 0.230 121.0 -79.5 -85.5 12.7 17.0 58.2 -5.4 38 38 A G < - 0 0 2 -3,-2.2 62,-2.4 60,-0.2 2,-0.5 -0.033 29.2-109.1 117.6 152.9 17.7 56.3 -2.2 39 39 A I E -Ef 32 100B 0 -7,-1.7 -7,-2.6 60,-0.2 2,-0.4 -0.989 37.7-170.4-118.9 125.6 20.0 53.7 -0.6 40 40 A F E -Ef 31 101B 17 60,-3.2 62,-2.1 -2,-0.5 2,-0.4 -0.977 8.3-163.3-123.5 127.6 18.2 50.4 -0.1 41 41 A T E - f 0 102B 0 -11,-2.6 14,-2.7 -2,-0.4 -11,-0.3 -0.932 10.8-165.4-118.8 133.6 19.5 47.4 1.8 42 42 A Y E -Gf 54 103B 25 60,-3.0 62,-2.3 -2,-0.4 2,-0.6 -0.749 20.3-127.3-118.6 153.7 18.0 43.9 1.5 43 43 A D E -Gf 53 104B 16 10,-3.0 10,-2.3 -2,-0.3 62,-0.2 -0.936 13.1-172.0-102.1 116.0 18.2 40.6 3.3 44 44 A A > - 0 0 4 60,-3.0 3,-2.1 -2,-0.6 5,-0.3 0.526 29.8-142.1 -79.8 -8.8 19.2 37.6 1.1 45 45 A K T 3 - 0 0 111 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.792 62.8 -57.2 56.7 36.1 18.3 35.3 4.1 46 46 A Y T 3 S+ 0 0 110 59,-2.4 -1,-0.3 1,-0.3 2,-0.2 0.515 117.0 109.2 71.2 9.9 21.3 32.8 3.5 47 47 A R S < S- 0 0 180 -3,-2.1 60,-2.2 58,-0.3 -1,-0.3 -0.529 73.0-129.4-106.2 175.4 20.0 32.2 -0.0 48 48 A T + 0 0 81 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.338 69.4 115.2-109.7 7.6 21.5 33.3 -3.4 49 49 A T - 0 0 92 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.643 68.7-102.4 -76.5 127.1 18.3 34.8 -4.8 50 50 A L S S- 0 0 57 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.853 82.2 -4.5-117.0 150.5 18.7 38.6 -5.3 51 51 A P S S- 0 0 48 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.985 83.5-169.8 -72.9 -14.4 18.1 41.2 -4.1 52 52 A G - 0 0 34 -10,-0.1 2,-0.4 -8,-0.1 -8,-0.2 -0.742 48.4 -19.3 91.9-148.3 16.0 39.3 -1.5 53 53 A S E -G 43 0B 52 -10,-2.3 -10,-3.0 -2,-0.3 -8,-0.1 -0.756 68.2-107.2-103.5 135.8 13.7 41.3 0.8 54 54 A L E -G 42 0B 36 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.417 55.3 -98.1 -57.6 129.5 13.9 45.0 1.5 55 55 A W - 0 0 10 -14,-2.7 -25,-2.0 -25,-0.3 2,-0.4 -0.354 49.3-172.2 -67.0 121.2 15.3 44.9 5.1 56 56 A A E -D 29 0A 45 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.932 8.4-178.1-117.4 139.4 12.3 45.4 7.6 57 57 A D E -D 28 0A 23 -29,-2.2 -29,-3.1 -2,-0.4 3,-0.1 -0.987 24.5-140.9-138.7 139.3 12.6 45.9 11.4 58 58 A A S S+ 0 0 74 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.809 96.1 22.0 -69.9 -31.8 9.8 46.3 13.9 59 59 A D S S- 0 0 91 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.347 96.9-112.9-127.0 5.3 11.3 48.9 16.2 60 60 A N S S+ 0 0 20 1,-0.2 -51,-1.6 -32,-0.2 2,-0.4 0.673 81.3 116.9 67.7 17.5 14.0 50.9 14.3 61 61 A Q E -b 9 0A 97 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.979 44.3-170.9-115.5 130.2 16.7 49.5 16.5 62 62 A F E +b 10 0A 0 -53,-3.0 -51,-1.9 -2,-0.4 9,-0.1 -0.545 40.9 123.4-123.5 60.4 19.3 47.3 14.8 63 63 A F + 0 0 54 -2,-0.3 -1,-0.2 -53,-0.3 2,-0.1 0.401 38.2 110.2-102.6 2.2 21.4 45.8 17.6 64 64 A A S >> S- 0 0 51 -3,-0.2 4,-1.2 1,-0.1 3,-0.7 -0.428 76.7-121.8 -74.7 150.8 21.0 42.0 16.8 65 65 A S T 34 S+ 0 0 116 1,-0.2 3,-0.4 2,-0.2 -1,-0.1 0.883 117.3 56.9 -59.4 -33.1 24.0 40.1 15.6 66 66 A Y T 34 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.786 104.8 53.2 -65.3 -31.1 21.9 39.3 12.5 67 67 A D T X> S+ 0 0 17 -3,-0.7 4,-2.4 1,-0.2 3,-0.8 0.769 87.3 84.1 -68.0 -33.5 21.4 43.0 11.9 68 68 A A H 3X S+ 0 0 13 -4,-1.2 4,-2.1 -3,-0.4 -55,-0.5 0.848 88.1 46.8 -52.3 -45.8 25.1 44.0 12.0 69 69 A P H 3> S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.865 113.7 51.2 -64.4 -33.3 26.0 43.3 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.8 4,-2.3 -4,-0.4 5,-0.3 0.918 107.6 52.2 -67.4 -46.1 22.8 45.1 7.2 71 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 -60,-0.2 -1,-0.2 0.928 114.5 42.4 -51.4 -47.2 23.7 48.2 9.3 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.900 111.9 51.8 -74.0 -43.2 27.2 48.4 7.8 73 73 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.937 117.6 41.3 -57.0 -43.0 26.2 47.7 4.2 74 74 A H H X S+ 0 0 5 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.960 118.1 44.8 -70.1 -48.4 23.6 50.5 4.5 75 75 A Y H X S+ 0 0 96 -4,-2.9 4,-1.9 -5,-0.3 -2,-0.2 0.921 115.9 45.2 -64.8 -46.7 25.8 53.0 6.5 76 76 A Y H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.784 106.7 58.8 -74.7 -29.8 29.0 52.5 4.3 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.4 -1,-0.2 0.917 108.6 48.4 -58.4 -42.3 27.0 52.8 1.1 78 78 A G H X S+ 0 0 2 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.910 110.1 49.0 -63.7 -45.4 26.0 56.2 2.4 79 79 A V H X S+ 0 0 18 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.918 111.8 49.7 -58.8 -43.0 29.5 57.2 3.3 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.916 110.4 50.4 -63.8 -43.7 30.7 56.1 -0.2 81 81 A Y H X S+ 0 0 13 -4,-2.3 4,-2.4 1,-0.2 11,-0.3 0.947 111.1 49.7 -54.7 -49.1 27.8 58.2 -1.8 82 82 A D H X S+ 0 0 38 -4,-2.9 4,-3.1 1,-0.2 5,-0.4 0.893 108.8 53.0 -58.9 -42.9 29.0 61.2 0.4 83 83 A Y H X>S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.2 5,-0.6 0.949 111.3 44.2 -57.7 -53.7 32.6 60.7 -0.8 84 84 A Y H X5S+ 0 0 4 -4,-2.6 6,-2.8 3,-0.2 4,-1.2 0.891 118.9 43.4 -62.6 -37.3 31.7 60.7 -4.5 85 85 A K H X5S+ 0 0 88 -4,-2.4 4,-1.1 4,-0.3 -2,-0.2 0.951 122.0 36.5 -69.5 -53.2 29.3 63.8 -4.1 86 86 A N H <5S+ 0 0 92 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.837 127.7 33.6 -74.3 -35.5 31.5 65.9 -1.8 87 87 A V H <5S+ 0 0 54 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.2 0.866 136.4 16.0 -90.2 -38.0 34.9 65.0 -3.3 88 88 A H H < S- 0 0 3 -2,-0.9 3,-0.7 -11,-0.3 7,-0.1 -0.081 93.6 -56.0 59.1-172.3 25.7 58.1 -7.1 93 93 A Y T 3 S+ 0 0 22 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.799 138.8 44.0 -76.6 -31.7 27.5 55.6 -9.3 94 94 A D T 3 S- 0 0 45 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.442 108.5-118.8 -86.3 -2.4 25.8 56.7 -12.6 95 95 A G S < S+ 0 0 33 -3,-0.7 -4,-0.2 -4,-0.5 -3,-0.2 0.526 101.2 83.3 74.2 5.8 26.2 60.5 -11.9 96 96 A N S S- 0 0 123 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.068 113.3 -95.0-130.8 32.8 22.5 60.8 -12.0 97 97 A N - 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0 0 71 -4,-0.5 15,-2.0 15,-0.3 2,-1.2 -0.603 21.5-155.9 -77.2 113.7 30.2 32.9 1.8 111 111 A N + 0 0 32 -2,-0.6 2,-0.3 13,-0.1 -1,-0.1 -0.330 63.9 50.6 -87.9 50.1 33.8 34.4 1.9 112 112 A N - 0 0 19 -2,-1.2 11,-2.7 206,-0.1 2,-0.3 -0.976 56.9-148.1-166.0 179.6 33.3 37.2 -0.6 113 113 A A E +I 122 0B 1 -2,-0.3 206,-0.4 9,-0.2 2,-0.3 -0.918 22.9 173.4-149.3 163.4 31.3 40.2 -1.8 114 114 A F E -I 121 0B 50 7,-2.3 7,-2.3 -2,-0.3 2,-0.5 -0.979 37.7-115.3-168.2 159.6 30.7 41.6 -5.3 115 115 A W E -I 120 0B 29 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.920 28.0-165.0 -95.0 127.8 29.0 44.1 -7.6 116 116 A N - 0 0 67 3,-2.5 4,-0.1 -2,-0.5 -1,-0.1 0.219 52.8 -88.9-103.4 17.0 26.8 42.0 -9.8 117 117 A G S S+ 0 0 47 2,-0.2 3,-0.1 1,-0.0 -2,-0.0 0.042 125.3 40.6 96.4 -22.0 26.0 44.6 -12.5 118 118 A S S S- 0 0 73 1,-0.4 -17,-0.3 -17,-0.0 2,-0.3 0.613 120.7 -11.8-124.6 -31.6 23.0 45.8 -10.6 119 119 A Q S S- 0 0 8 -19,-0.1 -3,-2.5 -16,-0.0 -1,-0.4 -0.959 70.2 -81.2-166.0 170.9 23.8 45.9 -6.9 120 120 A M E -hI 102 115B 0 -19,-2.6 -17,-2.2 -2,-0.3 2,-0.4 -0.626 34.9-167.1 -92.9 151.0 26.2 45.0 -4.1 121 121 A V E -hI 103 114B 0 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.4 -0.997 1.0-166.8-141.1 132.8 26.2 41.6 -2.5 122 122 A Y E - 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0 0 85 -2,-0.4 -9,-0.3 -9,-0.2 2,-0.1 -0.760 29.6-126.2 -83.6 123.0 57.8 62.6 -4.7 257 257 A G - 0 0 32 -2,-0.6 -12,-0.2 -11,-0.4 -11,-0.2 -0.415 23.5-173.0 -69.8 140.5 54.4 62.1 -3.1 258 258 A I - 0 0 25 -14,-2.9 4,-0.4 1,-0.2 -13,-0.2 0.402 45.4-107.9-114.6 -0.6 51.7 64.6 -3.9 259 259 A G > - 0 0 24 -14,-2.1 4,-2.1 -15,-0.5 -1,-0.2 -0.006 28.9 -76.6 96.7 163.1 49.0 63.3 -1.4 260 260 A R H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.831 120.7 55.8 -70.7 -38.1 45.7 61.5 -1.4 261 261 A D H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 112.3 42.4 -63.1 -41.2 43.5 64.3 -2.6 262 262 A K H > S+ 0 0 72 -4,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.869 111.9 54.0 -76.0 -37.3 45.5 64.9 -5.8 263 263 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.952 111.2 48.2 -54.1 -47.2 45.9 61.2 -6.4 264 264 A G H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.901 112.0 47.8 -62.2 -42.9 42.0 61.0 -6.2 265 265 A K H X S+ 0 0 92 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.904 113.9 47.4 -64.8 -42.7 41.6 64.0 -8.6 266 266 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.925 116.4 41.3 -67.6 -45.3 44.0 62.5 -11.1 267 267 A F H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.856 114.3 52.1 -75.7 -31.2 42.6 59.0 -11.1 268 268 A Y H X S+ 0 0 32 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.918 111.5 47.8 -68.7 -41.3 39.0 60.2 -11.1 269 269 A R H X>S+ 0 0 71 -4,-2.1 4,-2.2 -5,-0.2 5,-0.5 0.925 113.4 47.7 -60.7 -46.0 39.8 62.4 -14.1 270 270 A A H X>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-1.8 0.933 113.3 49.5 -60.0 -44.9 41.5 59.5 -15.9 271 271 A L H <5S+ 0 0 1 -4,-2.9 -118,-0.3 1,-0.2 -1,-0.2 0.886 119.9 33.4 -62.2 -40.8 38.6 57.2 -15.1 272 272 A T H <5S+ 0 0 40 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.645 131.2 26.2 -97.1 -18.3 35.9 59.6 -16.3 273 273 A Q H <5S+ 0 0 113 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.642 128.7 20.6-117.6 -20.7 37.6 61.4 -19.3 274 274 A Y T < - 0 0 63 -2,-0.1 3,-1.3 -122,-0.1 -120,-0.1 -0.753 40.2 -91.2-125.2 171.4 38.2 53.1 -22.2 277 277 A P T 3 S+ 0 0 58 0, 0.0 -121,-2.8 0, 0.0 -123,-0.1 0.809 126.2 36.7 -53.0 -33.7 36.9 49.5 -21.9 278 278 A T T 3 S+ 0 0 104 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.236 80.9 143.0-109.9 17.3 40.1 48.1 -23.4 279 279 A S < - 0 0 6 -3,-1.3 -115,-0.2 -126,-0.1 2,-0.2 -0.284 34.7-154.8 -58.9 132.2 42.7 50.4 -21.9 280 280 A N > - 0 0 59 -120,-0.1 4,-2.5 -119,-0.1 5,-0.2 -0.444 34.8 -89.9-100.5-179.9 45.9 48.7 -21.0 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.911 127.8 52.6 -58.6 -45.0 48.5 49.7 -18.3 282 282 A S H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 111.0 47.8 -54.5 -42.3 50.5 51.8 -20.9 283 283 A Q H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.835 107.7 56.1 -71.0 -33.1 47.2 53.6 -21.8 284 284 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.924 105.5 50.8 -63.4 -44.7 46.5 54.1 -18.1 285 285 A R H X S+ 0 0 27 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.951 112.0 47.9 -55.4 -46.0 49.9 55.8 -17.6 286 286 A A H X S+ 0 0 61 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.910 112.2 49.4 -59.8 -44.2 49.0 58.1 -20.6 287 287 A A H X S+ 0 0 7 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.904 113.2 45.6 -64.0 -44.8 45.6 58.8 -19.2 288 288 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.905 112.7 50.2 -67.0 -39.8 47.0 59.7 -15.7 289 289 A V H X S+ 0 0 25 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.943 113.8 46.1 -61.9 -45.0 49.8 61.9 -17.2 290 290 A Q H X S+ 0 0 84 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.911 111.6 51.4 -65.1 -37.4 47.2 63.7 -19.3 291 291 A S H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.911 111.5 46.4 -64.0 -42.6 44.8 64.1 -16.3 292 292 A A H X>S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.7 0.870 111.8 53.0 -66.6 -36.7 47.6 65.6 -14.2 293 293 A T H X5S+ 0 0 36 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.925 108.9 49.4 -62.8 -45.8 48.6 67.8 -17.1 294 294 A D H <5S+ 0 0 63 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.873 120.4 35.9 -58.7 -42.5 44.9 69.1 -17.4 295 295 A L H <5S+ 0 0 70 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.835 137.3 11.4 -83.9 -35.1 44.7 69.8 -13.7 296 296 A Y H <5S- 0 0 64 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.583 107.2 -95.2-125.1 -20.3 48.2 71.1 -12.8 297 297 A G ><< - 0 0 28 -4,-1.6 3,-2.0 -5,-0.7 6,-0.4 0.047 33.9 -87.0 108.7 143.6 50.2 71.7 -16.0 298 298 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.797 126.8 43.0 -52.1 -34.0 52.6 69.8 -18.2 299 299 A T T 3 S+ 0 0 138 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.254 89.8 123.2 -99.6 13.2 55.6 71.0 -16.1 300 300 A S S <> S- 0 0 16 -3,-2.0 4,-1.9 1,-0.1 5,-0.1 -0.291 73.4-119.5 -72.9 155.3 54.0 70.5 -12.7 301 301 A Q H > S+ 0 0 95 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.854 114.7 61.5 -52.9 -39.0 55.4 68.4 -9.8 302 302 A E H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 105.1 44.6 -59.5 -48.6 52.1 66.4 -10.1 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.3 -11,-0.2 -1,-0.2 0.915 113.2 52.3 -58.1 -46.6 52.8 65.3 -13.7 304 304 A A H X S+ 0 0 44 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.893 110.0 47.9 -58.2 -45.1 56.5 64.5 -12.8 305 305 A S H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.853 108.5 53.4 -68.2 -38.5 55.4 62.3 -9.9 306 306 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.946 111.9 46.6 -58.1 -48.6 52.8 60.4 -12.0 307 307 A K H X S+ 0 0 90 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.927 113.1 48.2 -57.8 -47.7 55.6 59.7 -14.5 308 308 A Q H X S+ 0 0 76 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.842 110.1 52.4 -65.3 -33.2 58.1 58.6 -11.8 309 309 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.939 112.7 43.9 -68.6 -45.2 55.5 56.3 -10.1 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 3,-0.3 0.926 113.5 51.6 -66.7 -39.6 54.7 54.5 -13.4 311 311 A D H ><5S+ 0 0 39 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.936 105.9 56.5 -56.0 -46.2 58.5 54.4 -14.2 312 312 A A H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.826 109.6 44.0 -56.5 -35.8 59.0 52.8 -10.7 313 313 A V T 3<5S- 0 0 0 -4,-1.5 -96,-3.0 -3,-0.3 -1,-0.3 0.281 119.3-108.7 -94.1 11.7 56.5 49.9 -11.5 314 314 A G T < 5S+ 0 0 25 -3,-1.7 2,-0.7 -4,-0.3 -3,-0.2 0.745 72.2 138.8 74.0 26.0 58.0 49.4 -15.0 315 315 A V < 0 0 4 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.897 360.0 360.0-109.5 111.1 55.0 50.8 -16.9 316 316 A K 0 0 164 -2,-0.7 -1,-0.1 -3,-0.1 -5,-0.1 0.594 360.0 360.0-104.3 360.0 55.9 53.0 -19.9 317 ! 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 1001 A I 0 0 6 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 -29.5 36.5 41.8 -3.4 319 1002 A Y 0 0 118 -206,-0.4 -88,-0.1 0, 0.0 -207,-0.1 0.394 360.0 360.0-146.6 360.0 38.8 39.0 -4.4