==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-OCT-98 4TLI . COMPND 2 MOLECULE: PROTEIN (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) . 12724.0 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 . 20 6.3 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 . 105 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 2 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 91 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 147.8 8.3 52.3 -0.0 2 2 A T + 0 0 137 21,-0.0 2,-0.2 23,-0.0 21,-0.0 -0.839 360.0 104.7 -93.8 124.0 6.2 55.5 0.6 3 3 A G - 0 0 38 -2,-0.5 2,-0.5 22,-0.0 22,-0.2 -0.850 68.9 -52.9-172.4-162.8 6.5 56.7 4.2 4 4 A T E -A 24 0A 93 20,-2.2 20,-3.5 -2,-0.2 2,-0.2 -0.918 48.8-122.7-102.2 131.8 7.9 59.1 6.7 5 5 A S E +A 23 0A 67 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.430 45.6 153.0 -70.1 135.0 11.7 59.7 6.9 6 6 A T E -A 22 0A 55 16,-3.0 16,-2.4 -2,-0.2 2,-0.4 -0.819 39.6-107.1-151.6-174.3 13.2 59.0 10.3 7 7 A V E -A 21 0A 78 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -0.994 29.1-177.5-127.4 130.3 16.3 58.0 12.1 8 8 A G E -A 20 0A 4 12,-3.5 12,-2.2 -2,-0.4 2,-0.4 -0.552 16.4-131.9-119.0-179.0 17.0 54.7 13.8 9 9 A V E +Ab 19 61A 33 51,-1.7 53,-4.1 10,-0.3 2,-0.3 -0.970 31.6 144.5-139.0 142.0 19.9 53.3 15.8 10 10 A G E -Ab 18 62A 0 8,-2.3 8,-2.7 -2,-0.4 2,-0.4 -0.943 41.3 -98.7-156.5-170.5 21.9 50.1 15.6 11 11 A R E -A 17 0A 112 51,-2.1 6,-0.2 -2,-0.3 60,-0.2 -0.985 32.0-140.4-124.1 135.9 25.2 48.3 16.0 12 12 A G > - 0 0 4 4,-2.8 3,-2.1 -2,-0.4 56,-0.2 -0.042 39.1 -81.8 -84.0-174.5 27.5 47.4 13.1 13 13 A V T 3 S+ 0 0 29 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.866 128.8 49.6 -59.1 -35.9 29.6 44.3 12.5 14 14 A L T 3 S- 0 0 77 54,-0.1 -1,-0.3 121,-0.1 -2,-0.0 0.351 121.8-103.1 -89.5 8.0 32.4 45.5 14.7 15 15 A G S < S+ 0 0 45 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.510 74.1 142.1 91.5 -4.8 30.1 46.4 17.6 16 16 A D - 0 0 50 1,-0.0 -4,-2.8 -5,-0.0 2,-0.3 -0.636 49.1-126.6 -78.4 141.6 30.1 50.2 17.0 17 17 A Q E +A 11 0A 132 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.649 36.8 166.2 -89.0 131.1 26.8 52.1 17.6 18 18 A K E -A 10 0A 16 -8,-2.7 -8,-2.3 -2,-0.3 2,-0.3 -0.995 34.6-120.7-144.5 158.1 25.6 54.3 14.7 19 19 A N E -A 9 0A 106 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.742 31.5-167.3 -93.7 143.6 22.4 56.2 13.6 20 20 A I E -A 8 0A 3 -12,-2.2 -12,-3.5 -2,-0.3 2,-0.5 -0.972 24.5-111.6-134.1 151.4 20.9 55.2 10.3 21 21 A N E +A 7 0A 40 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.668 45.5 169.4 -82.4 125.7 18.3 56.8 8.0 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-3.0 -2,-0.5 2,-0.4 -0.714 28.6-127.0-131.0 174.7 15.1 54.8 7.8 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.0 -18,-0.2 2,-0.5 -0.998 17.1-144.0-128.8 136.7 11.6 55.1 6.6 24 24 A Y E +AC 4 28A 97 -20,-3.5 -20,-2.2 -2,-0.4 4,-0.2 -0.839 39.4 136.4-106.4 131.4 8.4 54.4 8.5 25 25 A S S S- 0 0 48 2,-2.9 2,-2.5 -2,-0.5 -2,-0.0 -0.644 94.3 -48.8-161.6 78.2 5.3 52.9 7.1 26 26 A T S S+ 0 0 115 -2,-0.2 2,-0.2 32,-0.0 -2,-0.1 -0.400 140.7 36.8 82.3 -63.5 3.9 50.3 9.5 27 27 A Y S S- 0 0 116 -2,-2.5 -2,-2.9 -4,-0.1 2,-0.5 -0.659 95.4-112.9-103.2 170.1 7.4 48.8 9.8 28 28 A Y E -CD 24 57A 58 29,-3.1 29,-2.9 -4,-0.2 2,-0.3 -0.917 39.4-159.7 -97.6 127.8 10.7 50.9 9.8 29 29 A Y E -CD 23 56A 40 -6,-3.0 2,-2.2 -2,-0.5 -6,-1.9 -0.821 28.5-113.2-111.2 154.9 12.6 50.1 6.6 30 30 A L S S+ 0 0 0 25,-2.2 11,-2.2 11,-0.3 2,-0.4 -0.550 72.1 128.7 -83.7 82.2 16.3 50.5 5.7 31 31 A Q E -E 40 0B 10 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.967 44.9-158.5-139.1 116.5 15.4 53.1 3.1 32 32 A D E > -E 39 0B 2 7,-2.8 7,-1.5 -2,-0.4 3,-0.6 -0.922 11.0-179.6-104.4 109.5 17.4 56.4 3.3 33 33 A N T 3 + 0 0 59 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.402 67.7 79.0 -89.8 5.6 15.4 59.1 1.5 34 34 A T T 3 S+ 0 0 83 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.547 83.7 63.2 -90.7 -11.2 18.0 61.8 2.2 35 35 A R S X S- 0 0 47 -3,-0.6 3,-1.9 4,-0.1 -1,-0.1 -0.935 110.9 -64.5-120.8 111.5 20.5 60.9 -0.5 36 36 A G T 3 S- 0 0 27 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.197 112.6 -17.3 59.1-139.7 19.6 61.1 -4.2 37 37 A D T 3 S- 0 0 113 60,-1.6 -1,-0.3 1,-0.3 62,-0.2 0.306 120.0 -82.8 -79.8 7.3 16.8 58.7 -5.3 38 38 A G < - 0 0 2 -3,-1.9 62,-2.4 60,-0.2 2,-0.4 -0.134 27.7-108.5 113.4 156.1 17.5 56.7 -2.1 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.8 60,-0.2 2,-0.4 -0.996 37.0-171.1-122.3 125.1 19.7 54.0 -0.5 40 40 A F E -Ef 31 101B 21 60,-2.4 62,-2.2 -2,-0.4 2,-0.4 -0.984 7.9-160.9-126.8 128.9 17.8 50.7 0.0 41 41 A T E - f 0 102B 0 -11,-2.2 14,-2.8 -2,-0.4 -11,-0.3 -0.948 11.8-166.3-122.4 128.7 19.1 47.7 1.9 42 42 A Y E -Gf 54 103B 27 60,-3.0 62,-2.5 -2,-0.4 2,-0.6 -0.821 21.0-127.7-116.6 155.8 17.7 44.2 1.5 43 43 A D E -Gf 53 104B 22 10,-2.8 10,-2.1 -2,-0.3 62,-0.2 -0.917 14.4-173.8-100.7 116.1 17.8 40.8 3.2 44 44 A A > - 0 0 3 60,-2.7 3,-2.4 -2,-0.6 5,-0.3 0.490 30.6-141.8 -87.2 -4.9 18.8 38.0 0.9 45 45 A K T 3 - 0 0 105 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.806 62.6 -56.5 57.3 38.3 18.1 35.6 3.8 46 46 A Y T 3 S+ 0 0 109 59,-2.6 -1,-0.3 1,-0.3 60,-0.2 0.540 114.7 110.3 69.9 12.3 21.0 33.2 3.0 47 47 A R S < S- 0 0 176 -3,-2.4 60,-2.2 58,-0.3 -1,-0.3 -0.490 70.8-129.9-107.5 178.3 19.8 32.6 -0.6 48 48 A T S S+ 0 0 83 58,-0.2 2,-0.4 -2,-0.2 58,-0.1 0.286 72.0 110.9-110.9 7.0 21.3 33.7 -3.9 49 49 A T S S- 0 0 94 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.692 71.2-100.2 -81.3 135.6 18.1 35.2 -5.3 50 50 A L S S- 0 0 60 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.876 80.0 -2.4-121.4 153.2 18.4 39.0 -5.5 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.979 78.5-164.8 -87.9 -6.7 17.7 41.4 -4.3 52 52 A G - 0 0 34 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.831 47.2 -28.6 99.2-155.1 15.7 39.7 -1.5 53 53 A S E -G 43 0B 52 -10,-2.1 -10,-2.8 -2,-0.3 -8,-0.1 -0.871 66.7-104.5-105.0 140.1 13.2 41.6 0.7 54 54 A L E -G 42 0B 30 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.359 53.8 -98.4 -65.0 135.1 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 -0.460 48.7-173.8 -68.8 123.2 14.8 45.2 5.2 56 56 A A E -D 29 0A 45 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.916 5.7-175.4-118.4 141.0 11.9 45.8 7.6 57 57 A D E -D 28 0A 22 -29,-2.9 -29,-3.1 -2,-0.4 3,-0.1 -0.988 23.7-140.4-138.9 143.0 12.2 46.2 11.3 58 58 A A S S+ 0 0 77 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.790 95.1 19.2 -74.4 -31.4 9.5 46.5 14.0 59 59 A D S S- 0 0 94 2,-0.2 -1,-0.2 -31,-0.1 3,-0.1 0.315 95.0-113.2-127.9 13.6 11.0 49.1 16.3 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.741 82.0 114.1 68.2 23.3 13.7 51.1 14.5 61 61 A Q E -b 9 0A 101 -53,-0.2 2,-0.6 -51,-0.0 3,-0.3 -0.954 47.0-167.8-122.0 117.8 16.4 49.7 16.7 62 62 A F E +b 10 0A 0 -53,-4.1 -51,-2.1 -2,-0.5 9,-0.1 -0.415 41.7 124.6-116.3 74.8 19.0 47.4 15.0 63 63 A F + 0 0 59 -2,-0.6 -1,-0.2 -53,-0.2 2,-0.2 0.332 37.9 111.3-109.8 8.4 20.9 45.7 17.7 64 64 A A S >> S- 0 0 50 -3,-0.3 3,-1.0 1,-0.1 4,-0.9 -0.498 75.4-123.9 -77.3 151.9 20.4 42.0 16.8 65 65 A S G >4 S+ 0 0 116 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.918 114.6 57.2 -66.0 -29.5 23.4 40.2 15.5 66 66 A Y G 34 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.802 103.8 55.2 -67.3 -22.0 21.5 39.3 12.3 67 67 A D G X> S+ 0 0 16 -3,-1.0 4,-2.5 1,-0.2 3,-0.5 0.709 85.4 86.2 -78.6 -24.0 21.0 43.2 11.8 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.873 114.0 52.1 -63.1 -33.3 25.7 43.5 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.5 4,-2.5 -4,-0.4 5,-0.3 0.901 106.5 52.5 -69.9 -44.8 22.6 45.5 7.2 71 71 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 -60,-0.2 5,-0.2 0.954 114.7 41.8 -53.8 -50.7 23.3 48.4 9.4 72 72 A D H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.892 112.4 52.5 -68.8 -36.1 26.9 48.7 8.0 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.923 115.7 42.7 -60.2 -44.6 25.9 48.1 4.3 74 74 A H H X S+ 0 0 4 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.942 118.2 43.8 -66.5 -47.1 23.3 50.9 4.7 75 75 A Y H X S+ 0 0 88 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.925 114.3 47.6 -68.7 -44.1 25.4 53.3 6.6 76 76 A Y H X S+ 0 0 4 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.812 106.1 57.8 -75.7 -23.0 28.6 52.9 4.5 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.912 108.0 49.7 -66.0 -36.3 26.7 53.3 1.3 78 78 A G H X S+ 0 0 1 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.935 110.3 48.8 -65.7 -42.9 25.6 56.7 2.7 79 79 A V H X S+ 0 0 15 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.908 112.4 48.2 -63.9 -39.9 29.2 57.6 3.6 80 80 A T H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.890 110.1 51.9 -67.7 -38.7 30.5 56.7 0.1 81 81 A Y H X S+ 0 0 17 -4,-2.1 4,-2.2 1,-0.2 11,-0.3 0.919 111.5 48.1 -60.1 -44.1 27.6 58.7 -1.5 82 82 A D H X S+ 0 0 37 -4,-2.4 4,-3.2 1,-0.2 5,-0.4 0.875 107.9 54.9 -65.3 -41.6 28.6 61.7 0.6 83 83 A Y H X>S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 5,-0.6 0.965 112.2 42.3 -55.5 -55.2 32.3 61.3 -0.3 84 84 A Y H X5S+ 0 0 8 -4,-2.1 6,-3.2 1,-0.2 4,-1.0 0.856 119.0 45.2 -65.2 -33.3 31.6 61.4 -4.0 85 85 A K H X5S+ 0 0 88 -4,-2.2 4,-1.0 4,-0.3 -1,-0.2 0.951 120.1 36.8 -73.4 -51.8 29.1 64.2 -3.7 86 86 A N H <5S+ 0 0 93 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.804 129.3 30.5 -70.9 -36.8 31.1 66.5 -1.3 87 87 A V H <5S+ 0 0 52 -4,-2.5 -3,-0.2 -5,-0.4 -1,-0.2 0.826 135.3 21.6 -92.3 -40.7 34.6 65.9 -2.7 88 88 A H H < S- 0 0 8 -2,-1.0 3,-1.1 -11,-0.3 7,-0.1 0.013 91.8 -56.9 61.8-175.0 25.5 58.8 -7.0 93 93 A Y T 3 S+ 0 0 25 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.846 137.5 43.4 -74.8 -26.2 27.3 56.4 -9.4 94 94 A D T 3 S- 0 0 52 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.365 110.7-116.4 -93.7 0.7 25.6 57.4 -12.6 95 95 A G S < S+ 0 0 36 -3,-1.1 -4,-0.3 -4,-0.2 -3,-0.2 0.506 101.8 79.7 79.0 4.6 26.0 61.2 -11.8 96 96 A N S S- 0 0 120 -5,-0.1 -4,-0.2 -6,-0.1 -1,-0.1 -0.021 113.8 -92.6-138.4 39.2 22.2 61.6 -11.7 97 97 A N - 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0 0 69 -4,-0.4 15,-2.1 15,-0.3 2,-1.2 -0.626 24.9-158.7 -89.2 119.0 30.2 33.4 1.3 111 111 A N + 0 0 53 -2,-0.6 2,-0.3 13,-0.1 -1,-0.1 -0.361 61.6 61.5 -90.6 50.7 33.6 35.0 1.5 112 112 A N - 0 0 74 -2,-1.2 11,-2.4 2,-0.0 2,-0.3 -0.996 53.4-155.9-163.7 169.0 33.0 37.9 -0.9 113 113 A A E +I 122 0B 2 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.972 25.1 172.2-149.2 145.6 31.1 41.0 -1.7 114 114 A F E -I 121 0B 45 7,-2.7 7,-1.9 -2,-0.3 2,-0.5 -0.997 40.0-120.7-159.2 155.4 30.5 42.5 -5.1 115 115 A W E -I 120 0B 21 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.802 28.7-164.8 -87.2 122.2 28.9 45.1 -7.3 116 116 A N - 0 0 67 3,-2.8 4,-0.1 -2,-0.5 -1,-0.1 0.123 51.8 -88.2 -96.2 9.7 26.9 43.0 -9.8 117 117 A G S S+ 0 0 38 2,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.145 124.8 36.4 106.0 -27.4 26.2 45.7 -12.5 118 118 A S S S- 0 0 87 1,-0.4 -17,-0.3 -17,-0.0 2,-0.3 0.554 122.7 -2.3-131.4 -25.8 22.9 46.7 -10.8 119 119 A E S S- 0 0 14 -19,-0.1 -3,-2.8 -5,-0.1 -1,-0.4 -0.958 71.4 -89.5-160.0 172.7 23.5 46.5 -7.0 120 120 A M E -hI 102 115B 0 -19,-2.7 -17,-2.0 -2,-0.3 2,-0.4 -0.653 33.5-165.6 -92.3 149.4 25.8 45.6 -4.1 121 121 A V E -hI 103 114B 0 -7,-1.9 -7,-2.7 -2,-0.3 2,-0.4 -0.998 2.8-166.9-136.1 129.5 25.9 42.1 -2.8 122 122 A Y E - 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0 0 84 -2,-0.4 -9,-0.3 -9,-0.2 2,-0.1 -0.825 29.4-125.8 -83.7 126.8 57.9 63.6 -3.6 257 257 A G - 0 0 29 -2,-0.6 -12,-0.3 -11,-0.4 -13,-0.1 -0.451 22.3-170.9 -71.3 148.1 54.4 63.0 -2.3 258 258 A I - 0 0 27 -14,-3.1 4,-0.4 1,-0.2 -13,-0.2 0.333 47.3-109.6-117.1 1.9 51.6 65.5 -3.1 259 259 A G > - 0 0 24 -14,-1.9 4,-1.8 -15,-0.5 3,-0.2 0.129 27.7 -74.8 97.1 168.7 49.0 64.1 -0.7 260 260 A R H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.784 119.2 57.7 -75.3 -39.4 45.7 62.2 -0.8 261 261 A D H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 111.5 40.4 -61.1 -48.3 43.5 65.1 -1.9 262 262 A K H > S+ 0 0 72 -4,-0.4 4,-2.7 -3,-0.2 5,-0.2 0.829 111.3 59.4 -68.7 -33.7 45.4 65.8 -5.1 263 263 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.934 108.6 44.7 -56.2 -48.2 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 0.912 113.0 50.4 -63.7 -38.9 41.9 61.8 -5.6 265 265 A K H X S+ 0 0 90 -4,-2.0 4,-1.9 1,-0.2 5,-0.2 0.924 112.0 47.4 -70.2 -39.8 41.5 64.8 -7.9 266 266 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.914 116.6 41.7 -64.0 -49.7 44.0 63.5 -10.5 267 267 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.837 112.7 53.0 -72.0 -32.6 42.6 60.0 -10.6 268 268 A Y H X S+ 0 0 31 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.919 112.4 46.1 -65.6 -41.9 38.9 61.0 -10.6 269 269 A R H X S+ 0 0 75 -4,-1.9 4,-2.0 -5,-0.3 5,-0.5 0.949 113.1 49.3 -63.3 -46.2 39.7 63.4 -13.5 270 270 A A H X>S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 5,-1.9 0.968 114.3 46.5 -59.4 -42.8 41.6 60.6 -15.4 271 271 A L H <5S+ 0 0 1 -4,-2.8 -118,-0.4 1,-0.2 -1,-0.2 0.885 118.5 38.6 -67.6 -41.1 38.8 58.1 -14.8 272 272 A T H <5S+ 0 0 41 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.623 130.2 23.8 -92.6 -7.6 35.9 60.4 -15.8 273 273 A Q H <5S+ 0 0 117 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.649 128.0 22.8-126.9 -22.4 37.5 62.2 -18.7 274 274 A Y T <5S+ 0 0 86 -4,-2.1 -3,-0.2 -5,-0.5 2,-0.2 0.636 90.1 90.7-124.1 -19.7 40.4 60.2 -20.3 275 275 A L < - 0 0 11 -5,-1.9 9,-0.0 12,-0.1 -120,-0.0 -0.534 51.5-167.3 -80.7 150.6 40.2 56.5 -19.6 276 276 A T > - 0 0 66 -2,-0.2 3,-1.8 -122,-0.1 -120,-0.1 -0.780 40.5 -89.1-126.7 177.2 38.4 54.2 -22.1 277 277 A P T 3 S+ 0 0 63 0, 0.0 -121,-2.7 0, 0.0 -123,-0.1 0.753 124.8 37.1 -60.7 -31.1 37.2 50.6 -21.8 278 278 A T T 3 S+ 0 0 99 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.152 80.1 144.9-111.0 24.2 40.5 49.1 -23.2 279 279 A S < - 0 0 4 -3,-1.8 -115,-0.2 -126,-0.2 2,-0.2 -0.315 33.3-154.6 -62.2 143.0 43.0 51.5 -21.6 280 280 A N > - 0 0 62 -120,-0.1 4,-2.3 -119,-0.1 5,-0.1 -0.464 35.2 -89.1-108.5-177.0 46.3 49.8 -20.6 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.908 125.9 54.5 -62.1 -40.5 48.8 50.8 -18.0 282 282 A S H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 109.8 46.2 -61.7 -37.1 50.7 53.0 -20.4 283 283 A Q H > S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.891 107.1 59.2 -81.3 -18.1 47.6 55.0 -21.3 284 284 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.955 105.1 50.0 -63.2 -40.9 46.7 55.2 -17.6 285 285 A R H X S+ 0 0 35 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.935 111.7 47.0 -62.3 -46.8 50.0 57.0 -17.1 286 286 A A H X S+ 0 0 59 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.910 112.5 50.9 -60.1 -39.1 49.3 59.4 -20.0 287 287 A A H X S+ 0 0 8 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.911 112.4 45.1 -65.7 -40.8 45.8 60.0 -18.6 288 288 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.899 113.6 50.1 -73.7 -35.2 47.1 60.8 -15.1 289 289 A V H X S+ 0 0 23 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.941 112.7 47.0 -64.6 -44.7 49.8 63.0 -16.5 290 290 A Q H X S+ 0 0 86 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.899 112.5 50.2 -63.4 -38.5 47.3 64.9 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.904 111.1 47.5 -63.3 -43.6 44.9 65.2 -15.7 292 292 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.903 112.1 52.0 -65.6 -39.2 47.6 66.6 -13.4 293 293 A T H X S+ 0 0 36 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.947 108.5 50.1 -60.2 -48.5 48.5 69.0 -16.2 294 294 A D H < S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.870 119.9 36.5 -54.4 -46.5 45.0 70.2 -16.6 295 295 A L H < S+ 0 0 68 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.800 135.0 15.2 -77.3 -38.4 44.6 70.8 -12.9 296 296 A Y H < S- 0 0 63 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.542 106.6 -97.0-121.3 -5.3 48.1 72.1 -11.9 297 297 A G >< - 0 0 32 -4,-2.7 3,-1.8 -5,-0.4 6,-0.4 0.182 35.2 -90.3 99.0 143.3 50.1 73.1 -15.0 298 298 A S T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.635 125.0 49.7 -66.6 -13.2 52.6 71.1 -17.1 299 299 A T T 3 S+ 0 0 138 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.295 87.3 119.3-110.6 19.2 55.5 72.5 -15.0 300 300 A S S <> S- 0 0 19 -3,-1.8 4,-1.7 1,-0.1 5,-0.1 -0.233 73.9-122.1 -77.7 162.4 54.0 71.7 -11.6 301 301 A Q H > S+ 0 0 96 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.873 113.0 63.8 -65.1 -32.6 55.4 69.4 -8.9 302 302 A E H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.931 104.1 43.9 -60.0 -45.8 52.2 67.5 -9.2 303 303 A V H > S+ 0 0 2 -6,-0.4 4,-2.4 -11,-0.2 -1,-0.2 0.931 113.3 52.5 -62.8 -43.6 52.9 66.5 -12.8 304 304 A A H X S+ 0 0 39 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.933 108.9 49.1 -60.4 -41.5 56.5 65.7 -11.8 305 305 A S H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.849 108.1 53.6 -68.9 -36.7 55.4 63.4 -9.0 306 306 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 5,-0.2 0.925 111.3 46.7 -61.1 -45.9 53.0 61.5 -11.3 307 307 A K H X S+ 0 0 85 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.922 112.7 48.5 -60.3 -45.6 55.8 60.9 -13.8 308 308 A Q H X S+ 0 0 75 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.878 109.1 53.8 -59.6 -44.1 58.2 59.7 -11.1 309 309 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.937 111.7 43.1 -60.6 -49.9 55.7 57.4 -9.5 310 310 A F H X>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 4,-0.5 0.891 113.6 52.8 -65.7 -35.1 55.0 55.6 -12.8 311 311 A D H ><5S+ 0 0 46 -4,-2.3 3,-1.2 -5,-0.2 -2,-0.2 0.947 105.5 55.8 -61.1 -39.6 58.7 55.5 -13.6 312 312 A A H 3<5S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.819 111.2 42.6 -64.1 -32.7 59.3 53.9 -10.1 313 313 A V H 3<5S- 0 0 0 -4,-1.4 -96,-3.6 -3,-0.1 -1,-0.3 0.371 119.1-109.2 -97.5 8.9 56.9 51.0 -10.9 314 314 A G T <<5 + 0 0 13 -3,-1.2 2,-0.7 -4,-0.5 -3,-0.2 0.712 69.4 140.9 83.8 19.1 58.2 50.6 -14.4 315 315 A V < 0 0 3 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.832 360.0 360.0-101.1 116.3 55.2 51.9 -16.4 316 316 A K 0 0 153 -2,-0.7 -1,-0.2 -5,-0.1 -5,-0.1 0.593 360.0 360.0-104.0 360.0 56.2 54.0 -19.4