==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-OCT-98 2TLI . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR A.C.ENGLISH,S.H.DONE,C.R.GROOM,R.E.HUBBARD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 70.3 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 10.8 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 . 18 5.7 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 . 104 32.9 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 84 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 150.7 8.3 52.2 0.0 2 2 A T + 0 0 135 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.837 360.0 105.3 -96.3 126.3 6.3 55.4 0.6 3 3 A G - 0 0 35 -2,-0.5 2,-0.5 22,-0.0 22,-0.2 -0.930 68.9 -52.7-172.1-162.4 6.5 56.5 4.2 4 4 A T E -A 24 0A 95 20,-2.5 20,-3.2 -2,-0.3 2,-0.1 -0.863 48.5-121.4-103.0 134.7 7.9 59.0 6.7 5 5 A S E +A 23 0A 70 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.407 46.0 155.0 -71.6 133.9 11.7 59.6 6.9 6 6 A T E -A 22 0A 52 16,-2.8 16,-2.4 -2,-0.1 2,-0.4 -0.833 39.3-109.8-149.5-177.8 13.1 58.9 10.3 7 7 A V E -A 21 0A 80 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -0.993 29.1-177.4-126.9 126.5 16.3 57.9 12.1 8 8 A G E -A 20 0A 3 12,-3.5 12,-2.2 -2,-0.4 2,-0.4 -0.522 16.1-133.1-117.1 176.9 17.0 54.6 13.8 9 9 A V E +Ab 19 61A 31 51,-1.8 53,-4.0 10,-0.2 2,-0.3 -0.979 31.8 142.3-133.2 146.9 19.9 53.2 15.8 10 10 A G E -Ab 18 62A 0 8,-2.3 8,-2.6 -2,-0.4 2,-0.4 -0.957 42.0 -95.5-161.0-168.2 21.9 50.0 15.7 11 11 A R E -A 17 0A 111 51,-2.2 6,-0.2 -2,-0.3 60,-0.2 -0.989 31.7-140.4-126.8 133.3 25.2 48.2 15.9 12 12 A G > - 0 0 4 4,-2.4 3,-2.2 -2,-0.4 56,-0.2 -0.034 39.7 -82.8 -82.2-176.3 27.5 47.4 13.1 13 13 A V T 3 S+ 0 0 28 55,-0.6 55,-0.1 1,-0.3 122,-0.1 0.871 128.3 50.2 -56.4 -39.6 29.6 44.2 12.4 14 14 A L T 3 S- 0 0 80 54,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.403 121.4-103.0 -84.9 7.2 32.4 45.5 14.7 15 15 A G S < S+ 0 0 47 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.461 75.2 138.2 90.1 1.6 30.1 46.3 17.6 16 16 A D - 0 0 52 1,-0.1 -4,-2.4 -5,-0.0 2,-0.3 -0.567 50.4-125.5 -86.8 144.1 30.0 50.1 17.1 17 17 A Q E +A 11 0A 131 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.661 35.1 167.4 -92.7 141.7 26.8 52.0 17.5 18 18 A K E -A 10 0A 16 -8,-2.6 -8,-2.3 -2,-0.3 2,-0.3 -0.995 34.6-118.9-152.8 154.7 25.5 54.3 14.7 19 19 A N E -A 9 0A 109 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.711 33.1-167.2 -91.8 140.6 22.4 56.2 13.7 20 20 A I E -A 8 0A 3 -12,-2.2 -12,-3.5 -2,-0.3 2,-0.4 -0.988 24.2-112.3-132.9 150.5 20.9 55.1 10.3 21 21 A N E +A 7 0A 38 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.628 45.2 169.1 -81.0 126.5 18.3 56.7 8.0 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.8 -2,-0.4 2,-0.4 -0.717 29.0-127.8-134.4 172.7 15.1 54.7 7.8 23 23 A T E -AC 5 29A 0 6,-1.6 6,-3.0 -18,-0.2 2,-0.5 -0.999 17.3-144.5-128.5 133.6 11.6 55.0 6.5 24 24 A Y E +AC 4 28A 99 -20,-3.2 -20,-2.5 -2,-0.4 4,-0.2 -0.817 39.0 136.9-105.1 131.1 8.4 54.3 8.5 25 25 A S S S- 0 0 49 2,-2.7 2,-2.3 -2,-0.5 -2,-0.0 -0.612 94.3 -47.1-162.8 77.5 5.3 52.7 7.0 26 26 A T S S+ 0 0 113 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.401 140.6 34.6 85.8 -62.6 3.9 50.1 9.5 27 27 A Y S S- 0 0 115 -2,-2.3 -2,-2.7 -4,-0.1 2,-0.5 -0.657 95.3-109.6-103.9 173.4 7.4 48.7 9.8 28 28 A Y E -CD 24 57A 56 29,-3.3 29,-2.6 -4,-0.2 2,-0.3 -0.914 40.3-160.4-100.4 127.5 10.7 50.7 9.8 29 29 A Y E -CD 23 56A 41 -6,-3.0 2,-2.2 -2,-0.5 -6,-1.6 -0.784 28.7-113.3-110.3 153.4 12.6 49.9 6.6 30 30 A L S S+ 0 0 0 25,-2.2 11,-2.3 11,-0.3 2,-0.4 -0.520 72.1 128.3 -82.0 84.7 16.3 50.4 5.7 31 31 A Q E -E 40 0B 10 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.966 44.6-159.2-143.4 114.6 15.5 53.0 3.1 32 32 A D E > +E 39 0B 2 7,-3.1 7,-1.5 -2,-0.4 3,-0.5 -0.917 11.6 179.1-101.1 110.6 17.4 56.3 3.3 33 33 A N T 3 + 0 0 59 -2,-0.7 -1,-0.1 -11,-0.3 3,-0.1 0.314 67.3 80.3 -89.3 3.3 15.5 59.1 1.5 34 34 A T T 3 S+ 0 0 85 1,-0.2 2,-0.5 5,-0.1 -1,-0.2 0.569 84.8 61.7 -85.5 -13.0 18.1 61.8 2.3 35 35 A R S X S- 0 0 49 -3,-0.5 3,-1.9 4,-0.1 -1,-0.2 -0.925 111.2 -63.1-121.6 115.7 20.5 60.8 -0.4 36 36 A G T 3 S- 0 0 27 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.227 112.7 -18.6 56.7-137.5 19.7 61.0 -4.1 37 37 A D T 3 S- 0 0 109 60,-1.6 -1,-0.3 1,-0.3 62,-0.2 0.334 119.3 -83.3 -83.4 4.9 16.9 58.6 -5.2 38 38 A G < - 0 0 2 -3,-1.9 62,-2.5 60,-0.2 2,-0.4 -0.163 28.1-108.2 116.0 156.8 17.5 56.6 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-3.1 60,-0.2 2,-0.4 -0.994 36.5-171.2-124.2 124.5 19.7 53.9 -0.5 40 40 A F E -Ef 31 101B 21 60,-2.5 62,-2.2 -2,-0.4 2,-0.4 -0.990 8.1-160.9-125.3 128.6 17.8 50.6 0.0 41 41 A T E - f 0 102B 0 -11,-2.3 14,-2.8 -2,-0.4 -11,-0.3 -0.944 11.6-165.6-123.4 130.0 19.1 47.6 1.9 42 42 A Y E -Gf 54 103B 26 60,-3.0 62,-2.5 -2,-0.4 2,-0.6 -0.810 21.0-127.2-116.4 154.2 17.7 44.1 1.4 43 43 A D E -Gf 53 104B 24 10,-2.9 10,-2.1 -2,-0.3 62,-0.2 -0.912 15.0-173.5 -98.2 117.4 17.8 40.8 3.2 44 44 A A > - 0 0 4 60,-2.8 3,-2.4 -2,-0.6 5,-0.2 0.495 30.1-142.4 -89.5 -1.8 18.8 37.9 0.9 45 45 A K T 3 - 0 0 107 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.807 62.0 -57.4 54.4 40.2 18.1 35.5 3.8 46 46 A Y T 3 S+ 0 0 109 59,-2.6 -1,-0.3 1,-0.3 60,-0.2 0.522 114.0 111.9 66.7 10.7 21.0 33.2 3.0 47 47 A R S < S- 0 0 176 -3,-2.4 60,-2.4 58,-0.3 -1,-0.3 -0.461 70.7-130.1-103.4 173.1 19.8 32.5 -0.6 48 48 A T S S+ 0 0 85 58,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.326 72.9 111.4-106.9 6.1 21.3 33.6 -3.9 49 49 A T S S- 0 0 93 -5,-0.2 -2,-0.2 2,-0.0 58,-0.1 -0.607 70.4-102.1 -78.8 135.2 18.1 35.1 -5.3 50 50 A L S S- 0 0 59 -2,-0.3 -2,-0.1 1,-0.2 71,-0.0 -0.921 79.8 -2.6-124.4 149.3 18.4 38.9 -5.5 51 51 A P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.969 78.8-167.3 -90.0 -6.2 17.7 41.4 -4.3 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.829 47.8 -26.1 94.6-150.5 15.7 39.6 -1.6 53 53 A S E -G 43 0B 50 -10,-2.1 -10,-2.9 -2,-0.3 -8,-0.1 -0.869 65.9-105.0-107.3 138.5 13.3 41.6 0.7 54 54 A L E -G 42 0B 31 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.3 -0.348 54.4 -99.2 -59.4 134.0 13.6 45.3 1.6 55 55 A W - 0 0 12 -14,-2.8 -25,-2.2 -25,-0.3 2,-0.4 -0.418 47.9-172.5 -68.4 121.6 14.9 45.1 5.2 56 56 A A E -D 29 0A 45 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.919 6.5-176.5-114.9 143.2 11.9 45.6 7.6 57 57 A D E -D 28 0A 21 -29,-2.6 -29,-3.3 -2,-0.4 5,-0.1 -0.994 24.0-141.4-142.7 139.8 12.2 46.1 11.4 58 58 A A S S+ 0 0 76 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.778 95.1 21.3 -73.3 -30.3 9.4 46.4 14.0 59 59 A D S S- 0 0 93 2,-0.2 -1,-0.2 -31,-0.1 3,-0.1 0.391 94.2-115.2-128.1 15.5 11.0 49.0 16.3 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.8 -32,-0.2 2,-0.5 0.707 81.7 112.9 63.9 24.5 13.7 51.0 14.5 61 61 A Q E -b 9 0A 97 -53,-0.2 2,-0.6 -51,-0.0 3,-0.3 -0.954 47.8-167.6-123.4 118.7 16.5 49.6 16.8 62 62 A F E +b 10 0A 0 -53,-4.0 -51,-2.2 -2,-0.5 9,-0.1 -0.429 41.5 124.9-119.0 73.7 19.0 47.3 15.0 63 63 A F + 0 0 56 -2,-0.6 -1,-0.2 -53,-0.2 2,-0.2 0.338 37.7 111.8-110.3 8.1 21.0 45.6 17.7 64 64 A A S >> S- 0 0 50 -3,-0.3 3,-1.3 1,-0.1 4,-0.9 -0.484 75.3-123.6 -79.1 150.0 20.4 41.9 16.8 65 65 A S G >4 S+ 0 0 114 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.925 114.5 56.7 -67.0 -24.5 23.4 40.1 15.5 66 66 A Y G 34 S+ 0 0 68 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.746 104.1 55.8 -70.0 -24.6 21.5 39.2 12.3 67 67 A D G X> S+ 0 0 16 -3,-1.3 4,-2.5 1,-0.2 3,-0.8 0.707 85.2 86.1 -75.6 -26.4 21.0 43.0 11.8 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.834 113.7 52.4 -63.0 -33.5 25.7 43.5 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.8 4,-2.6 -4,-0.3 5,-0.3 0.910 105.8 53.1 -69.5 -44.2 22.6 45.4 7.2 71 71 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 -60,-0.2 5,-0.2 0.956 114.4 41.6 -53.8 -53.1 23.3 48.4 9.4 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.4 0.905 111.9 53.3 -66.3 -39.5 26.9 48.7 8.0 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.921 115.7 41.6 -56.9 -46.3 25.9 48.1 4.4 74 74 A H H X S+ 0 0 4 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.958 118.8 44.5 -68.3 -41.7 23.3 50.8 4.7 75 75 A Y H X S+ 0 0 90 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.928 114.2 47.1 -72.8 -44.4 25.5 53.2 6.6 76 76 A Y H X S+ 0 0 4 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.814 106.4 57.5 -75.5 -21.9 28.6 52.8 4.6 77 77 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.4 -1,-0.2 0.921 107.7 51.0 -66.5 -38.6 26.8 53.2 1.3 78 78 A G H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.931 110.0 47.6 -60.8 -49.2 25.7 56.6 2.8 79 79 A V H X S+ 0 0 14 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.918 112.6 49.4 -60.2 -40.7 29.3 57.6 3.6 80 80 A T H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.912 110.4 50.0 -66.0 -39.1 30.5 56.6 0.2 81 81 A Y H X S+ 0 0 16 -4,-2.3 4,-2.2 1,-0.2 11,-0.3 0.909 111.7 50.0 -61.1 -45.9 27.6 58.6 -1.5 82 82 A D H X S+ 0 0 38 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.896 107.8 53.2 -62.5 -42.4 28.6 61.6 0.7 83 83 A Y H X>S+ 0 0 11 -4,-2.5 4,-2.8 1,-0.2 5,-0.7 0.966 111.9 43.8 -56.0 -54.7 32.3 61.3 -0.3 84 84 A Y H X5S+ 0 0 8 -4,-2.1 6,-2.8 1,-0.2 4,-1.0 0.845 118.5 44.5 -62.6 -34.1 31.6 61.3 -4.0 85 85 A K H X5S+ 0 0 91 -4,-2.2 4,-0.9 4,-0.3 -1,-0.2 0.934 120.7 37.0 -72.7 -48.2 29.1 64.2 -3.7 86 86 A N H <5S+ 0 0 100 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.835 128.7 30.8 -74.8 -40.0 31.1 66.4 -1.4 87 87 A V H <5S+ 0 0 55 -4,-2.8 -3,-0.2 -5,-0.4 -1,-0.2 0.817 136.5 20.1 -85.0 -45.1 34.6 65.8 -2.7 88 88 A H H < S- 0 0 7 -2,-1.1 3,-0.9 -11,-0.3 7,-0.1 0.003 92.6 -54.9 61.9-172.0 25.6 58.7 -7.0 93 93 A Y T 3 S+ 0 0 25 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.805 137.0 43.5 -77.7 -23.9 27.3 56.3 -9.3 94 94 A D T 3 S- 0 0 51 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.409 110.3-115.5 -95.8 -1.0 25.7 57.4 -12.6 95 95 A G S < S+ 0 0 35 -3,-0.9 -4,-0.3 -4,-0.5 -3,-0.2 0.475 102.8 80.3 81.7 6.3 26.0 61.1 -11.8 96 96 A N S S- 0 0 123 -5,-0.3 -4,-0.2 -6,-0.1 -3,-0.1 -0.073 113.2 -93.9-137.0 30.9 22.2 61.5 -11.7 97 97 A N - 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0 0 70 -4,-0.4 15,-2.0 15,-0.3 2,-1.2 -0.658 25.0-156.9 -90.5 118.9 30.2 33.3 1.3 111 111 A N + 0 0 51 -2,-0.6 2,-0.3 13,-0.1 -1,-0.1 -0.321 61.5 59.5 -86.3 50.9 33.6 34.9 1.5 112 112 A N - 0 0 82 -2,-1.2 11,-2.6 2,-0.0 2,-0.3 -0.993 53.6-153.6-164.8 172.0 33.1 37.8 -0.9 113 113 A A E +I 122 0B 2 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.974 25.0 172.0-153.1 146.4 31.2 41.0 -1.7 114 114 A F E -I 121 0B 47 7,-2.6 7,-1.9 -2,-0.3 2,-0.4 -0.990 39.7-119.5-160.0 156.4 30.6 42.5 -5.2 115 115 A W E -I 120 0B 21 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.818 28.6-164.8 -87.2 123.0 28.9 45.0 -7.4 116 116 A N - 0 0 67 3,-2.8 4,-0.1 -2,-0.4 -1,-0.1 0.111 52.0 -88.7 -98.2 13.0 26.9 42.9 -9.9 117 117 A G S S+ 0 0 37 2,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.107 125.1 37.1 102.3 -24.5 26.2 45.6 -12.6 118 118 A S S S- 0 0 87 1,-0.4 2,-0.3 -17,-0.0 -17,-0.3 0.553 122.3 -4.6-131.2 -23.6 23.0 46.6 -10.8 119 119 A E S S- 0 0 14 -19,-0.1 -3,-2.8 -5,-0.1 -1,-0.4 -0.970 70.5 -87.9-164.2 171.7 23.5 46.4 -7.0 120 120 A M E -hI 102 115B 0 -19,-2.7 -17,-1.9 -2,-0.3 2,-0.4 -0.654 33.2-167.1 -91.7 147.3 25.9 45.5 -4.1 121 121 A V E -hI 103 114B 0 -7,-1.9 -7,-2.6 -2,-0.3 2,-0.4 -0.996 2.6-169.6-134.9 131.4 25.9 42.0 -2.7 122 122 A Y E - 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0 0 84 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.811 28.8-125.6 -82.4 124.2 57.9 63.4 -3.7 257 257 A G - 0 0 29 -2,-0.6 -12,-0.2 -11,-0.5 -11,-0.2 -0.395 23.1-172.5 -69.1 144.0 54.4 62.9 -2.2 258 258 A I - 0 0 29 -14,-3.1 4,-0.3 1,-0.2 -13,-0.2 0.382 46.6-112.6-115.4 -2.6 51.7 65.4 -3.1 259 259 A G > - 0 0 23 -14,-2.0 4,-1.8 -15,-0.5 3,-0.2 0.121 27.1 -72.7 98.3 171.4 49.1 64.0 -0.7 260 260 A R H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.777 118.8 57.4 -76.9 -39.8 45.7 62.2 -0.7 261 261 A D H > S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 112.2 40.4 -58.0 -50.5 43.5 65.0 -1.8 262 262 A K H > S+ 0 0 74 -4,-0.3 4,-2.8 -3,-0.2 5,-0.2 0.841 111.0 59.3 -69.8 -35.8 45.4 65.7 -5.1 263 263 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.957 108.5 44.7 -54.5 -49.7 45.8 62.0 -5.6 264 264 A G H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.903 113.2 50.7 -61.1 -39.4 41.9 61.6 -5.6 265 265 A K H X S+ 0 0 91 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.921 112.2 46.7 -70.1 -41.7 41.5 64.7 -7.9 266 266 A I H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.927 116.7 42.4 -63.9 -48.1 44.0 63.4 -10.4 267 267 A F H X S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.2 -1,-0.2 0.849 112.9 52.2 -70.2 -34.5 42.6 59.9 -10.6 268 268 A Y H X S+ 0 0 32 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.939 112.2 47.0 -64.6 -41.7 38.9 60.9 -10.6 269 269 A R H X>S+ 0 0 79 -4,-2.1 4,-1.6 -5,-0.3 5,-0.7 0.962 113.2 48.5 -62.7 -47.7 39.7 63.3 -13.5 270 270 A A H X>S+ 0 0 1 -4,-2.2 5,-2.2 -5,-0.2 4,-1.6 0.964 114.1 47.5 -59.5 -42.4 41.6 60.5 -15.3 271 271 A L H <5S+ 0 0 0 -4,-3.1 -118,-0.4 1,-0.2 -1,-0.2 0.884 118.6 37.1 -67.1 -40.8 38.8 58.0 -14.7 272 272 A T H <5S+ 0 0 41 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.543 130.6 24.6 -94.0 -3.3 35.9 60.2 -15.8 273 273 A Q H <5S+ 0 0 121 -4,-1.6 -3,-0.2 -3,-0.4 -2,-0.2 0.701 127.7 22.6-125.7 -37.8 37.6 62.0 -18.7 274 274 A Y T < - 0 0 65 -2,-0.1 3,-1.6 -122,-0.1 -120,-0.1 -0.773 42.2 -85.8-128.9 179.2 38.3 54.1 -22.0 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.769 125.3 37.1 -62.7 -29.0 37.1 50.4 -21.8 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.161 80.1 143.8-114.4 25.3 40.4 49.0 -23.1 279 279 A S < - 0 0 4 -3,-1.6 -115,-0.2 -126,-0.1 2,-0.2 -0.289 32.3-158.3 -59.8 140.6 42.9 51.4 -21.5 280 280 A N > - 0 0 62 -120,-0.1 4,-2.3 -119,-0.1 5,-0.2 -0.465 35.6 -85.8-115.6-173.6 46.1 49.7 -20.5 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.906 125.3 52.5 -61.6 -41.1 48.8 50.7 -18.0 282 282 A S H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 111.1 47.3 -60.5 -36.8 50.7 52.9 -20.4 283 283 A Q H > S+ 0 0 95 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.871 106.8 58.1 -78.1 -22.1 47.6 54.8 -21.3 284 284 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.958 106.1 50.2 -63.2 -40.3 46.7 55.2 -17.5 285 285 A R H X S+ 0 0 37 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.951 112.0 46.4 -62.3 -46.2 50.0 56.9 -17.1 286 286 A A H X S+ 0 0 60 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.884 113.5 49.7 -61.5 -38.2 49.3 59.3 -20.0 287 287 A A H X S+ 0 0 7 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.918 112.3 46.8 -67.8 -42.0 45.8 59.9 -18.6 288 288 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.915 113.0 49.4 -67.9 -39.3 47.1 60.6 -15.1 289 289 A V H X S+ 0 0 24 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.947 112.5 47.3 -64.1 -45.5 49.8 62.9 -16.5 290 290 A Q H X S+ 0 0 85 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.877 112.4 50.4 -60.7 -40.1 47.3 64.8 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.904 111.0 46.6 -65.3 -45.1 44.9 65.1 -15.6 292 292 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.4 0.890 113.2 52.2 -63.4 -38.0 47.6 66.5 -13.3 293 293 A T H X S+ 0 0 36 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.949 108.2 49.9 -59.9 -49.7 48.5 68.9 -16.2 294 294 A D H < S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.872 120.4 36.7 -53.1 -43.7 45.0 70.1 -16.6 295 295 A L H < S+ 0 0 68 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.841 134.7 14.6 -81.7 -40.6 44.7 70.7 -12.9 296 296 A Y H < S- 0 0 60 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.497 106.6 -96.7-120.1 -3.8 48.1 72.0 -11.9 297 297 A G >< - 0 0 31 -4,-2.7 3,-1.7 -5,-0.4 6,-0.4 0.168 34.9 -90.0 99.9 142.1 50.1 73.0 -15.0 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.671 125.1 48.2 -67.8 -14.0 52.7 71.0 -17.0 299 299 A T T 3 S+ 0 0 140 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.300 88.3 120.2-109.7 17.6 55.6 72.4 -15.0 300 300 A S S <> S- 0 0 19 -3,-1.7 4,-1.9 1,-0.1 5,-0.1 -0.250 74.3-120.9 -75.3 162.3 54.0 71.6 -11.6 301 301 A Q H > S+ 0 0 100 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.851 113.0 63.2 -65.7 -30.4 55.4 69.3 -8.9 302 302 A E H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.953 104.1 44.5 -64.1 -43.4 52.2 67.3 -9.2 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.4 -11,-0.2 -1,-0.2 0.947 113.0 52.8 -63.0 -45.3 52.9 66.4 -12.8 304 304 A A H X S+ 0 0 41 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.924 109.4 47.8 -60.9 -39.4 56.5 65.6 -11.9 305 305 A S H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.825 108.4 54.6 -69.1 -36.5 55.5 63.2 -9.0 306 306 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 5,-0.2 0.934 111.3 45.7 -61.0 -42.4 52.9 61.4 -11.2 307 307 A K H X S+ 0 0 87 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.914 112.7 49.7 -67.1 -42.5 55.7 60.7 -13.8 308 308 A Q H X S+ 0 0 77 -4,-2.3 4,-3.0 -5,-0.2 -1,-0.2 0.877 108.4 53.1 -61.2 -41.9 58.2 59.6 -11.1 309 309 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.928 112.1 43.7 -62.8 -46.3 55.7 57.2 -9.5 310 310 A F H <>S+ 0 0 0 -4,-1.9 5,-3.0 2,-0.2 4,-0.4 0.899 113.6 51.5 -67.3 -36.2 55.0 55.4 -12.8 311 311 A D H ><5S+ 0 0 46 -4,-2.3 3,-1.4 -5,-0.2 -2,-0.2 0.957 106.7 56.1 -61.6 -39.7 58.7 55.4 -13.6 312 312 A A H 3<5S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.824 111.1 41.8 -62.8 -33.4 59.3 53.8 -10.1 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.2 -3,-0.2 -1,-0.3 0.348 120.0-108.5 -99.0 12.7 56.9 50.9 -10.9 314 314 A G T < 5 + 0 0 12 -3,-1.4 2,-0.7 -4,-0.4 -3,-0.2 0.731 69.7 142.1 81.1 20.0 58.2 50.5 -14.4 315 315 A V < 0 0 4 -5,-3.0 -1,-0.2 1,-0.2 -2,-0.1 -0.855 360.0 360.0-102.4 113.9 55.2 51.8 -16.3 316 316 A K 0 0 156 -2,-0.7 -1,-0.2 -5,-0.1 -5,-0.1 0.721 360.0 360.0-108.4 360.0 56.2 53.8 -19.4