==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-OCT-08 3F28 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR L.ENGLERT,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.9 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 . 30 9.5 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 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 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,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 158.2 -37.7 28.6 0.1 2 2 A T + 0 0 128 21,-0.1 2,-0.3 23,-0.0 21,-0.0 -0.812 360.0 105.3 -88.6 131.8 -39.8 25.5 -0.3 3 3 A G - 0 0 36 -2,-0.5 2,-0.4 22,-0.0 22,-0.2 -0.934 68.0 -61.0-176.1-162.5 -39.5 24.3 -3.9 4 4 A T E -A 24 0A 89 20,-2.1 20,-2.8 -2,-0.3 2,-0.2 -0.910 48.2-113.9-115.3 142.3 -38.1 21.7 -6.2 5 5 A S E +A 23 0A 74 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.473 46.3 156.6 -74.8 133.2 -34.4 21.0 -6.7 6 6 A T E -A 22 0A 44 16,-2.7 16,-2.3 -2,-0.2 2,-0.4 -0.799 37.9-111.9-144.8-174.0 -32.9 21.8 -10.1 7 7 A V E -A 21 0A 81 -2,-0.2 14,-0.2 14,-0.2 2,-0.1 -0.971 27.5-174.5-134.6 117.5 -29.7 22.7 -11.9 8 8 A G E -A 20 0A 2 12,-2.8 12,-2.0 -2,-0.4 2,-0.3 -0.369 13.4-139.4 -98.2 175.1 -29.0 26.0 -13.5 9 9 A V E +Ab 19 61A 32 51,-1.8 53,-3.3 10,-0.2 2,-0.3 -0.996 31.0 139.7-139.5 146.2 -26.1 27.1 -15.6 10 10 A G E -Ab 18 62A 0 8,-2.2 8,-2.7 -2,-0.3 2,-0.4 -0.929 43.9 -94.4-163.8-175.5 -24.1 30.4 -15.6 11 11 A R E -A 17 0A 107 51,-1.8 60,-0.2 -2,-0.3 6,-0.2 -0.944 32.9-137.2-117.8 140.4 -20.7 32.0 -15.9 12 12 A G > - 0 0 4 4,-2.3 3,-1.9 -2,-0.4 56,-0.2 -0.125 40.1 -80.5 -83.4-176.6 -18.5 33.0 -13.0 13 13 A V T 3 S+ 0 0 30 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.790 130.4 48.6 -57.1 -35.2 -16.4 36.2 -12.4 14 14 A L T 3 S- 0 0 87 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.302 122.5-103.0 -94.1 9.7 -13.5 34.9 -14.6 15 15 A G S < S+ 0 0 46 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.524 73.5 142.1 85.8 7.2 -15.9 33.9 -17.5 16 16 A D - 0 0 61 1,-0.0 -4,-2.3 -5,-0.0 2,-0.4 -0.592 48.1-128.6 -79.4 136.5 -15.9 30.1 -16.8 17 17 A Q E +A 11 0A 131 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.657 36.7 163.4 -87.2 135.5 -19.2 28.3 -17.3 18 18 A K E -A 10 0A 16 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.3 -0.984 36.3-113.9-147.2 160.3 -20.4 26.1 -14.5 19 19 A N E -A 9 0A 102 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.732 31.0-163.7 -90.4 143.7 -23.6 24.3 -13.3 20 20 A I E -A 8 0A 4 -12,-2.0 -12,-2.8 -2,-0.3 2,-0.4 -0.989 22.4-117.2-131.3 143.0 -25.2 25.4 -10.0 21 21 A N E +A 7 0A 43 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.619 44.1 171.5 -75.7 126.0 -27.8 23.8 -7.8 22 22 A T E -A 6 0A 1 -16,-2.3 -16,-2.7 -2,-0.4 2,-0.4 -0.704 28.8-128.3-128.8 174.3 -31.0 25.9 -7.6 23 23 A T E -AC 5 29A 0 6,-2.0 6,-3.4 -18,-0.2 2,-0.5 -0.999 18.9-143.8-131.1 131.7 -34.5 25.7 -6.2 24 24 A Y E +AC 4 28A 95 -20,-2.8 -20,-2.1 -2,-0.4 4,-0.2 -0.873 39.2 138.6-107.0 126.8 -37.6 26.4 -8.3 25 25 A S S S- 0 0 43 2,-2.8 2,-2.6 -2,-0.5 -23,-0.0 -0.606 94.5 -49.2-159.5 88.3 -40.7 28.1 -6.9 26 26 A T S S+ 0 0 109 -2,-0.1 2,-0.3 32,-0.0 -2,-0.1 -0.379 140.4 38.1 72.4 -58.5 -42.0 30.6 -9.5 27 27 A Y S S- 0 0 116 -2,-2.6 -2,-2.8 -4,-0.1 2,-0.6 -0.713 94.4-111.4-104.7 167.5 -38.5 31.9 -9.7 28 28 A Y E -CD 24 57A 58 29,-3.0 29,-2.4 -2,-0.3 2,-0.3 -0.911 39.3-161.1 -98.5 122.9 -35.3 29.9 -9.7 29 29 A Y E -CD 23 56A 43 -6,-3.4 2,-2.4 -2,-0.6 -6,-2.0 -0.756 29.6-112.3-106.8 149.1 -33.4 30.7 -6.5 30 30 A L S S+ 0 0 0 25,-2.1 11,-2.4 11,-0.3 2,-0.4 -0.496 71.9 130.3 -74.7 77.0 -29.7 30.2 -5.5 31 31 A Q E -E 40 0B 10 -2,-2.4 2,-0.7 9,-0.2 9,-0.2 -0.954 43.1-161.2-134.0 108.5 -30.6 27.5 -3.0 32 32 A D E > +E 39 0B 3 7,-2.6 7,-1.4 -2,-0.4 3,-0.6 -0.851 10.3 179.1 -92.8 106.4 -28.6 24.2 -3.2 33 33 A N T 3 + 0 0 56 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.415 67.1 78.9 -87.5 3.2 -30.6 21.6 -1.3 34 34 A T T 3 S+ 0 0 86 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.518 84.8 64.8 -91.6 -3.1 -28.1 18.8 -2.0 35 35 A R S X S- 0 0 47 -3,-0.6 3,-2.5 4,-0.0 -1,-0.1 -0.944 112.1 -65.1-124.8 109.1 -25.6 19.8 0.7 36 36 A G T 3 S- 0 0 27 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.209 111.2 -19.3 55.3-135.2 -26.6 19.7 4.3 37 37 A D T 3 S- 0 0 111 60,-1.5 -1,-0.3 1,-0.3 62,-0.2 0.182 119.4 -75.7 -94.9 20.9 -29.4 22.0 5.3 38 38 A G < - 0 0 1 -3,-2.5 62,-2.4 60,-0.1 2,-0.4 -0.060 29.7-114.5 114.6 150.9 -28.7 24.1 2.2 39 39 A I E -Ef 32 100B 0 -7,-1.4 -7,-2.6 60,-0.2 2,-0.4 -0.997 35.6-170.1-119.4 127.1 -26.4 26.6 0.6 40 40 A F E -Ef 31 101B 22 60,-3.6 62,-2.1 -2,-0.4 2,-0.4 -0.979 8.7-162.8-126.6 128.1 -28.1 29.9 0.1 41 41 A T E - f 0 102B 0 -11,-2.4 14,-2.8 -2,-0.4 -11,-0.3 -0.944 11.8-166.2-119.7 133.4 -26.8 32.9 -1.9 42 42 A Y E -Gf 54 103B 27 60,-3.2 62,-2.3 -2,-0.4 2,-0.6 -0.804 20.1-127.5-119.3 151.9 -28.2 36.4 -1.5 43 43 A D E -Gf 53 104B 16 10,-2.6 10,-2.2 -2,-0.3 62,-0.2 -0.925 13.0-172.6 -99.5 117.2 -28.1 39.8 -3.4 44 44 A A > - 0 0 4 60,-2.9 3,-2.3 -2,-0.6 5,-0.3 0.501 31.5-140.1 -86.9 -4.3 -27.1 42.7 -1.2 45 45 A K T 3 - 0 0 110 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.760 62.7 -58.2 55.5 37.9 -27.9 45.0 -4.2 46 46 A Y T 3 S+ 0 0 108 59,-2.9 -1,-0.3 1,-0.3 60,-0.2 0.504 116.1 110.5 72.9 6.5 -24.9 47.3 -3.5 47 47 A R S < S- 0 0 176 -3,-2.3 60,-2.2 58,-0.3 -1,-0.3 -0.449 72.0-126.9-102.7-179.4 -26.2 48.1 -0.1 48 48 A T S S+ 0 0 80 58,-0.2 2,-0.4 -2,-0.1 -3,-0.1 0.361 71.1 109.4-111.8 8.1 -24.9 47.2 3.4 49 49 A T S S- 0 0 98 -5,-0.3 -2,-0.1 2,-0.1 58,-0.1 -0.687 70.5 -99.3 -87.1 136.7 -28.0 45.6 4.9 50 50 A L S S- 0 0 52 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.897 81.3 -4.5-124.7 151.6 -27.6 41.8 5.3 51 51 A P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.991 82.0-169.7 -78.2 -13.3 -28.2 39.2 4.1 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.734 47.2 -20.4 95.9-148.2 -30.4 41.0 1.5 53 53 A S E -G 43 0B 51 -10,-2.2 -10,-2.6 -2,-0.3 -8,-0.1 -0.836 66.9-108.4-104.1 135.3 -32.6 39.0 -0.9 54 54 A L E -G 42 0B 36 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.325 54.5 -97.1 -57.3 133.7 -32.3 35.3 -1.7 55 55 A W - 0 0 11 -14,-2.8 -25,-2.1 -25,-0.3 2,-0.4 -0.384 48.7-173.1 -66.9 124.6 -31.1 35.4 -5.2 56 56 A A E -D 29 0A 45 -2,-0.2 2,-0.4 -27,-0.2 -27,-0.2 -0.921 8.2-179.7-118.3 139.2 -33.9 34.9 -7.7 57 57 A D E -D 28 0A 23 -29,-2.4 -29,-3.0 -2,-0.4 3,-0.1 -0.997 25.0-140.4-137.7 139.4 -33.7 34.4 -11.5 58 58 A A S S+ 0 0 74 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.804 95.8 22.7 -72.9 -27.5 -36.5 34.0 -14.0 59 59 A D S S- 0 0 89 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.345 96.5-113.8-129.8 8.3 -35.0 31.3 -16.2 60 60 A N S S+ 0 0 16 1,-0.2 -51,-1.8 -32,-0.2 2,-0.5 0.689 80.4 119.2 67.1 17.4 -32.3 29.5 -14.3 61 61 A Q E -b 9 0A 101 -53,-0.2 2,-0.4 -51,-0.0 -2,-0.3 -0.973 42.6-172.5-113.4 129.1 -29.6 30.9 -16.6 62 62 A F E +b 10 0A 0 -53,-3.3 -51,-1.8 -2,-0.5 9,-0.1 -0.525 40.6 121.4-120.5 62.8 -27.0 33.0 -14.9 63 63 A F + 0 0 54 -2,-0.4 -1,-0.2 -53,-0.3 2,-0.1 0.444 38.7 112.1-110.6 3.0 -24.9 34.6 -17.7 64 64 A A S >> S- 0 0 49 -3,-0.2 4,-1.2 1,-0.1 3,-0.8 -0.385 75.9-121.6 -69.6 149.7 -25.3 38.3 -16.9 65 65 A S G >4 S+ 0 0 117 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.912 117.1 56.0 -58.9 -35.9 -22.3 40.2 -15.7 66 66 A Y G 34 S+ 0 0 68 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.757 104.6 54.3 -64.7 -25.4 -24.3 41.0 -12.6 67 67 A D G X> S+ 0 0 16 -3,-0.8 4,-2.2 1,-0.2 3,-0.9 0.792 85.5 85.6 -74.6 -29.9 -24.9 37.3 -12.0 68 68 A A H S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.866 113.5 50.5 -63.4 -30.8 -20.3 37.0 -8.3 70 70 A A H <> S+ 0 0 0 -3,-0.9 4,-2.4 -4,-0.4 5,-0.3 0.902 107.3 52.5 -70.5 -44.5 -23.4 35.1 -7.2 71 71 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 -60,-0.2 5,-0.2 0.943 115.1 42.4 -55.4 -45.6 -22.6 32.1 -9.4 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-3.1 -5,-0.2 5,-0.4 0.923 112.0 51.1 -75.0 -41.2 -19.1 31.9 -7.9 73 73 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.935 116.9 43.1 -59.7 -40.6 -20.1 32.5 -4.3 74 74 A H H X S+ 0 0 5 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.951 116.9 44.8 -67.2 -49.6 -22.6 29.8 -4.6 75 75 A Y H X S+ 0 0 93 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.940 115.1 45.9 -63.5 -48.8 -20.5 27.3 -6.5 76 76 A Y H X S+ 0 0 23 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.796 106.4 59.1 -71.7 -26.9 -17.4 27.7 -4.4 77 77 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.4 -1,-0.2 0.916 108.4 48.5 -61.8 -38.1 -19.4 27.5 -1.1 78 78 A G H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.928 109.5 49.7 -63.9 -45.3 -20.4 24.1 -2.5 79 79 A V H X S+ 0 0 19 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.922 111.7 49.9 -61.1 -38.5 -16.9 23.0 -3.3 80 80 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.912 108.3 52.3 -66.5 -41.0 -15.8 24.1 0.2 81 81 A Y H X S+ 0 0 13 -4,-2.3 4,-2.6 1,-0.2 11,-0.3 0.912 110.8 49.0 -55.6 -45.1 -18.6 22.1 1.8 82 82 A D H X S+ 0 0 42 -4,-2.2 4,-3.3 1,-0.2 5,-0.4 0.911 107.6 54.7 -66.8 -40.3 -17.4 19.1 -0.2 83 83 A Y H X>S+ 0 0 9 -4,-2.3 4,-2.9 -5,-0.2 5,-0.6 0.968 111.7 42.4 -57.2 -54.5 -13.9 19.6 0.8 84 84 A Y H X5S+ 0 0 4 -4,-2.5 6,-2.4 1,-0.2 4,-1.2 0.883 119.2 44.5 -63.1 -37.5 -14.7 19.6 4.5 85 85 A K H X5S+ 0 0 88 -4,-2.6 4,-1.2 4,-0.3 -1,-0.2 0.954 121.1 36.5 -70.0 -49.9 -17.1 16.6 4.2 86 86 A N H <5S+ 0 0 100 -4,-3.3 -2,-0.2 -5,-0.3 -3,-0.2 0.855 126.9 34.5 -74.9 -33.9 -15.0 14.5 2.0 87 87 A V H <5S+ 0 0 55 -4,-2.9 -3,-0.2 -5,-0.4 -1,-0.2 0.782 135.9 16.7 -93.7 -30.3 -11.5 15.3 3.4 88 88 A H H < S- 0 0 5 -2,-0.9 3,-0.7 -11,-0.3 7,-0.1 -0.035 93.4 -54.0 61.2-170.3 -20.7 22.3 7.2 93 93 A Y T 3 S+ 0 0 21 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.780 138.5 42.7 -77.3 -23.8 -19.0 24.8 9.5 94 94 A D T 3 S- 0 0 47 -3,-0.3 -1,-0.2 4,-0.1 -2,-0.2 0.402 108.1-118.8 -99.1 -1.1 -20.7 23.7 12.7 95 95 A G S < S+ 0 0 32 -3,-0.7 -4,-0.3 -4,-0.5 -3,-0.2 0.521 101.2 83.8 74.5 4.9 -20.3 20.0 12.0 96 96 A N S S- 0 0 126 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.057 112.9 -96.0-127.4 32.6 -24.1 19.6 12.1 97 97 A N - 0 0 38 -6,-2.4 -60,-1.5 1,-0.1 -5,-0.2 0.798 54.8-172.0 58.3 34.8 -24.9 20.7 8.4 98 98 A A - 0 0 17 -7,-0.5 -5,-0.3 -62,-0.1 -1,-0.1 -0.287 34.1 -96.0 -52.6 141.4 -25.7 24.3 9.3 99 99 A A - 0 0 16 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.381 37.1-137.2 -56.7 132.8 -27.1 26.3 6.3 100 100 A I E -f 39 0B 2 -62,-2.4 -60,-3.6 -3,-0.1 2,-0.4 -0.860 22.1-169.6-100.8 120.8 -24.4 28.2 4.5 101 101 A R E +f 40 0B 97 -2,-0.6 19,-2.6 17,-0.3 2,-0.3 -0.921 7.7 178.5-115.4 140.0 -25.4 31.7 3.6 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-3.2 -2,-0.4 2,-0.4 -0.992 11.5-159.1-132.0 141.8 -23.5 34.2 1.3 103 103 A S E -fh 42 121B 0 17,-2.2 19,-2.6 -2,-0.3 3,-0.2 -0.992 11.3-172.4-119.7 134.0 -24.3 37.7 0.2 104 104 A V E +f 43 0B 0 -62,-2.3 -60,-2.9 -2,-0.4 -59,-0.3 -0.637 63.5 45.5-114.2 174.7 -22.7 39.3 -2.9 105 105 A H S S+ 0 0 5 17,-0.4 -59,-2.9 1,-0.2 2,-0.5 0.887 74.7 176.7 56.1 40.1 -22.8 42.9 -4.3 106 106 A Y - 0 0 35 16,-2.0 18,-0.5 -3,-0.2 4,-0.4 -0.676 50.3 -34.3 -76.0 120.3 -22.2 44.1 -0.8 107 107 A S S S- 0 0 29 -60,-2.2 2,-0.4 -2,-0.5 -60,-0.1 -0.046 93.4 -57.0 63.5-165.9 -21.8 47.9 -0.8 108 108 A Q S S- 0 0 159 1,-0.2 3,-0.1 15,-0.1 18,-0.1 -0.964 109.9 -14.7-117.2 126.1 -20.3 49.9 -3.6 109 109 A G S S+ 0 0 39 -2,-0.4 2,-0.6 16,-0.3 17,-0.3 0.843 87.2 175.9 58.2 34.6 -16.7 49.4 -4.9 110 110 A Y - 0 0 60 -4,-0.4 15,-2.2 15,-0.4 2,-0.2 -0.613 23.5-164.0 -88.9 118.6 -16.0 47.3 -1.8 111 111 A N + 0 0 36 -2,-0.6 2,-0.3 14,-0.2 -1,-0.1 -0.092 58.8 72.4 -93.5 35.8 -12.6 45.7 -1.6 112 112 A N - 0 0 89 -2,-0.2 11,-2.3 18,-0.0 2,-0.3 -0.937 52.3-159.7-140.6 167.5 -13.1 43.2 1.2 113 113 A A E +I 122 0B 17 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.958 26.0 161.8-138.0 152.0 -14.8 39.9 1.9 114 114 A F E -I 121 0B 53 7,-2.2 7,-2.6 -2,-0.3 2,-0.5 -0.988 42.8-113.9-162.8 167.6 -15.6 38.6 5.4 115 115 A W E -I 120 0B 27 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.971 25.2-162.5-105.9 125.8 -17.5 36.3 7.8 116 116 A N - 0 0 67 3,-2.3 4,-0.1 -2,-0.5 -1,-0.1 0.207 55.2 -86.9 -99.7 14.3 -19.8 38.5 9.9 117 117 A G S S+ 0 0 45 2,-0.3 3,-0.1 0, 0.0 -2,-0.0 0.075 125.2 36.4 100.9 -19.1 -20.5 35.9 12.6 118 118 A S S S+ 0 0 83 1,-0.4 -17,-0.3 -17,-0.0 2,-0.3 0.534 120.0 4.2-136.3 -19.9 -23.4 34.4 10.7 119 119 A E S S- 0 0 12 -19,-0.1 -3,-2.3 -16,-0.0 -1,-0.4 -0.973 71.1 -91.9-161.8 167.4 -22.7 34.5 7.0 120 120 A M E -hI 102 115B 0 -19,-2.6 -17,-2.2 -2,-0.3 2,-0.4 -0.694 35.0-165.6 -91.4 146.3 -20.2 35.2 4.2 121 121 A V E -hI 103 114B 0 -7,-2.6 -7,-2.2 -2,-0.3 2,-0.4 -0.997 2.4-167.8-134.6 130.4 -20.1 38.7 2.6 122 122 A Y E - 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0 0 84 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.757 28.7-128.4 -85.2 121.5 11.3 17.7 4.9 257 257 A G - 0 0 32 -2,-0.6 -12,-0.3 -11,-0.4 -11,-0.2 -0.390 22.7-173.2 -70.7 146.9 7.9 18.2 3.3 258 258 A I - 0 0 27 -14,-2.9 4,-0.4 1,-0.2 -13,-0.2 0.361 45.3-108.1-119.6 2.9 5.2 15.7 4.0 259 259 A G > - 0 0 25 -14,-2.4 4,-2.1 -15,-0.4 5,-0.2 0.106 29.7 -75.3 93.0 159.9 2.5 16.9 1.6 260 260 A R H > S+ 0 0 88 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.874 120.9 55.2 -61.8 -43.3 -0.8 18.7 1.6 261 261 A D H > S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.960 111.7 43.9 -61.2 -47.4 -3.0 15.9 2.8 262 262 A K H > S+ 0 0 76 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.901 112.3 53.4 -68.8 -35.8 -0.9 15.3 5.9 263 263 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.960 110.3 48.0 -55.6 -48.1 -0.7 19.1 6.5 264 264 A G H X S+ 0 0 2 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.919 111.5 50.1 -64.8 -38.2 -4.4 19.3 6.4 265 265 A K H X S+ 0 0 95 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.904 112.7 46.4 -64.6 -39.8 -4.9 16.3 8.7 266 266 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.937 116.6 42.2 -71.1 -43.6 -2.5 17.8 11.3 267 267 A F H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.848 112.6 53.4 -76.3 -29.9 -3.9 21.3 11.3 268 268 A Y H X S+ 0 0 32 -4,-2.3 4,-2.2 -5,-0.3 5,-0.2 0.930 111.5 47.7 -66.1 -41.6 -7.5 20.1 11.2 269 269 A R H X>S+ 0 0 96 -4,-1.9 4,-2.3 -5,-0.3 5,-0.6 0.929 112.8 46.8 -64.3 -45.0 -6.8 18.0 14.3 270 270 A A H X>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 4,-1.8 0.939 113.3 50.9 -62.7 -41.2 -5.0 20.8 16.1 271 271 A L H <5S+ 0 0 1 -4,-2.7 -118,-0.3 1,-0.2 -1,-0.2 0.872 120.3 32.1 -60.7 -40.6 -7.9 23.2 15.2 272 272 A T H <5S+ 0 0 58 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.669 131.2 27.8 -98.0 -18.3 -10.7 20.9 16.5 273 273 A Q H <5S+ 0 0 56 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.653 128.5 19.0-116.8 -21.4 -9.0 19.1 19.4 274 274 A Y T < - 0 0 65 -2,-0.1 3,-1.8 -122,-0.1 -120,-0.1 -0.769 40.1 -86.6-125.6 173.5 -8.4 27.3 22.3 277 277 A P T 3 S+ 0 0 63 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.816 125.7 35.8 -52.3 -32.0 -9.7 30.9 22.0 278 278 A T T 3 S+ 0 0 94 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.215 80.7 146.4-112.0 20.3 -6.5 32.4 23.4 279 279 A S < - 0 0 7 -3,-1.8 -115,-0.2 -126,-0.1 2,-0.2 -0.236 32.8-154.0 -54.0 137.0 -3.9 30.0 22.0 280 280 A N > - 0 0 62 -120,-0.1 4,-2.2 -119,-0.1 5,-0.2 -0.500 33.5 -91.2-103.6-179.9 -0.6 31.7 21.1 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 126.3 51.4 -60.6 -41.9 2.0 30.7 18.5 282 282 A S H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 110.6 50.0 -62.8 -35.6 4.0 28.6 20.9 283 283 A Q H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 106.6 54.9 -70.6 -32.4 0.8 26.9 21.9 284 284 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.927 105.5 53.2 -64.2 -40.5 0.0 26.3 18.2 285 285 A R H X S+ 0 0 33 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.957 110.0 48.0 -57.2 -48.3 3.4 24.5 17.9 286 286 A A H X S+ 0 0 60 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.904 111.9 49.4 -58.2 -42.3 2.5 22.3 20.8 287 287 A A H X S+ 0 0 8 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.884 112.6 46.8 -69.1 -36.4 -0.9 21.5 19.3 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.895 112.7 48.9 -73.8 -37.6 0.5 20.7 15.9 289 289 A V H X S+ 0 0 21 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.957 114.4 45.7 -63.6 -49.5 3.2 18.5 17.3 290 290 A Q H X S+ 0 0 82 -4,-2.7 4,-2.9 -5,-0.3 5,-0.2 0.939 111.3 52.8 -59.6 -41.7 0.8 16.6 19.5 291 291 A S H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.936 112.1 45.6 -60.9 -40.7 -1.7 16.3 16.6 292 292 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.5 0.831 111.1 52.9 -70.3 -31.4 1.0 14.8 14.5 293 293 A T H X S+ 0 0 33 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.935 109.0 50.5 -68.9 -40.8 2.1 12.5 17.3 294 294 A D H < S+ 0 0 63 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.893 118.6 37.4 -56.4 -44.6 -1.5 11.4 17.6 295 295 A L H < S+ 0 0 68 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.892 135.5 11.2 -82.1 -41.3 -1.7 10.6 13.9 296 296 A Y H < S- 0 0 62 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.442 107.8 -93.6-122.9 -1.2 1.7 9.2 13.0 297 297 A G >< - 0 0 30 -4,-1.8 3,-1.7 -5,-0.5 6,-0.4 0.126 35.6 -87.9 96.1 144.4 3.6 8.5 16.2 298 298 A S T 3 S+ 0 0 79 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.766 125.3 44.9 -62.9 -26.4 6.1 10.5 18.2 299 299 A T T 3 S+ 0 0 135 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.299 89.0 120.5-102.6 14.0 9.1 9.3 16.3 300 300 A S S <> S- 0 0 17 -3,-1.7 4,-1.9 1,-0.1 5,-0.1 -0.228 74.9-117.7 -70.6 160.0 7.6 9.8 12.8 301 301 A Q H > S+ 0 0 95 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.867 114.5 62.9 -57.5 -36.9 8.9 12.0 10.0 302 302 A E H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.930 104.7 43.5 -59.2 -50.5 5.7 13.9 10.3 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.2 -11,-0.2 -1,-0.2 0.932 113.7 52.5 -58.3 -46.6 6.4 15.0 13.9 304 304 A A H X S+ 0 0 47 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.903 109.4 48.8 -59.9 -40.3 9.9 15.8 13.0 305 305 A S H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.884 107.8 53.7 -68.8 -40.3 8.8 18.0 10.1 306 306 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 5,-0.3 0.937 111.9 45.9 -57.8 -42.2 6.3 19.9 12.2 307 307 A K H X S+ 0 0 89 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.967 112.7 49.4 -68.5 -42.9 9.1 20.7 14.7 308 308 A Q H X S+ 0 0 19 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.876 110.3 51.8 -59.4 -38.7 11.6 21.7 12.0 309 309 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.938 112.0 44.2 -68.0 -43.2 9.0 23.9 10.4 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 3,-0.4 0.902 113.2 52.9 -69.2 -40.2 8.2 25.8 13.6 311 311 A D H ><5S+ 0 0 84 -4,-3.1 3,-2.0 -5,-0.3 -2,-0.2 0.952 104.4 56.2 -54.0 -50.2 11.9 26.0 14.4 312 312 A A H 3<5S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.836 109.3 45.8 -55.2 -30.9 12.6 27.5 10.9 313 313 A V T 3<5S- 0 0 0 -4,-1.1 -96,-3.0 -3,-0.4 -1,-0.3 0.343 119.3-108.1-100.9 15.6 10.1 30.3 11.7 314 314 A G T < 5S+ 0 0 28 -3,-2.0 2,-0.7 -4,-0.3 -3,-0.2 0.735 72.3 138.6 79.8 22.3 11.5 31.0 15.1 315 315 A V < 0 0 4 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.883 360.0 360.0-107.8 113.7 8.6 29.5 17.1 316 316 A K 0 0 104 -2,-0.7 -31,-0.1 -3,-0.1 -30,-0.1 -0.821 360.0 360.0-109.9 360.0 9.4 27.4 20.1