==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-OCT-98 3TLI . 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) . 12753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 69.6 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 . 7 2.2 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 83 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 155.3 8.3 52.2 -0.0 2 2 A T + 0 0 136 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.815 360.0 106.7 -97.3 126.6 6.3 55.4 0.6 3 3 A G - 0 0 34 -2,-0.5 2,-0.5 22,-0.0 22,-0.2 -0.928 68.9 -55.0-173.2-165.2 6.5 56.5 4.2 4 4 A T E -A 24 0A 95 20,-2.2 20,-3.2 -2,-0.3 2,-0.2 -0.871 48.8-121.5-100.4 134.7 7.9 59.0 6.7 5 5 A S E +A 23 0A 68 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.426 46.0 153.6 -72.4 134.3 11.7 59.6 6.9 6 6 A T E -A 22 0A 55 16,-2.9 16,-2.6 -2,-0.2 2,-0.4 -0.850 39.3-108.7-150.4-176.4 13.1 58.9 10.3 7 7 A V E -A 21 0A 77 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -0.992 28.4-176.8-128.0 129.7 16.3 57.9 12.1 8 8 A G E -A 20 0A 3 12,-3.4 12,-2.4 -2,-0.4 2,-0.4 -0.526 16.7-131.7-118.6 176.1 17.0 54.6 13.8 9 9 A V E +Ab 19 61A 31 51,-1.7 53,-3.7 10,-0.2 2,-0.3 -0.970 32.1 145.5-132.4 146.7 19.9 53.2 15.8 10 10 A G E -Ab 18 62A 0 8,-2.2 8,-2.7 -2,-0.4 2,-0.4 -0.958 41.1 -99.7-159.9-171.0 21.9 50.0 15.6 11 11 A R E -A 17 0A 114 51,-2.2 60,-0.2 -2,-0.3 6,-0.2 -0.987 31.6-140.8-124.9 136.9 25.2 48.2 16.0 12 12 A G > - 0 0 4 4,-2.6 3,-2.2 -2,-0.4 56,-0.2 -0.070 39.6 -81.1 -87.2-174.0 27.5 47.3 13.1 13 13 A V T 3 S+ 0 0 28 55,-0.6 122,-0.1 1,-0.3 55,-0.1 0.842 128.7 49.4 -58.2 -35.4 29.6 44.2 12.5 14 14 A L T 3 S- 0 0 78 54,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.349 121.4-103.0 -90.4 6.7 32.4 45.5 14.7 15 15 A G S < S+ 0 0 45 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.448 74.5 140.5 90.4 -0.2 30.1 46.3 17.6 16 16 A D - 0 0 54 1,-0.1 -4,-2.6 -5,-0.0 2,-0.3 -0.574 49.5-127.3 -79.9 144.3 30.1 50.1 17.0 17 17 A Q E +A 11 0A 132 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.651 35.6 168.1 -93.3 135.3 26.8 52.0 17.5 18 18 A K E -A 10 0A 15 -8,-2.7 -8,-2.2 -2,-0.3 2,-0.3 -0.996 34.4-118.1-144.2 158.3 25.5 54.2 14.7 19 19 A N E -A 9 0A 107 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.673 32.3-167.7 -90.2 143.5 22.5 56.1 13.6 20 20 A I E -A 8 0A 3 -12,-2.4 -12,-3.4 -2,-0.3 2,-0.4 -0.990 24.1-113.6-134.6 149.9 20.9 55.1 10.3 21 21 A N E +A 7 0A 39 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.627 44.7 169.5 -81.6 123.9 18.3 56.7 8.0 22 22 A T E -A 6 0A 1 -16,-2.6 -16,-2.9 -2,-0.4 2,-0.4 -0.718 28.7-127.9-131.4 175.9 15.1 54.7 7.8 23 23 A T E -AC 5 29A 0 6,-1.7 6,-3.1 -18,-0.2 2,-0.5 -1.000 17.1-145.0-131.8 134.2 11.6 55.0 6.5 24 24 A Y E +AC 4 28A 98 -20,-3.2 -20,-2.2 -2,-0.4 4,-0.2 -0.854 38.5 137.5-107.2 129.6 8.4 54.3 8.5 25 25 A S S S- 0 0 49 2,-3.0 2,-2.5 -2,-0.5 -2,-0.0 -0.670 94.4 -48.0-161.8 77.4 5.3 52.7 7.0 26 26 A T S S+ 0 0 114 -2,-0.2 2,-0.2 32,-0.0 -2,-0.1 -0.382 140.9 36.2 84.7 -63.8 3.9 50.1 9.5 27 27 A Y S S- 0 0 115 -2,-2.5 -2,-3.0 -4,-0.0 2,-0.5 -0.634 94.9-112.3-102.2 172.6 7.4 48.7 9.8 28 28 A Y E -CD 24 57A 55 29,-3.1 29,-2.5 -4,-0.2 2,-0.3 -0.934 39.5-160.6-100.3 127.4 10.7 50.7 9.8 29 29 A Y E -CD 23 56A 40 -6,-3.1 2,-2.2 -2,-0.5 -6,-1.7 -0.825 29.3-112.5-111.7 155.0 12.6 49.9 6.6 30 30 A L S S+ 0 0 0 25,-2.2 11,-2.2 11,-0.3 2,-0.4 -0.553 72.3 129.3 -81.3 84.4 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 -0.973 44.4-159.0-140.7 114.6 15.5 53.0 3.1 32 32 A D E > +E 39 0B 2 7,-2.9 7,-1.5 -2,-0.4 3,-0.5 -0.923 11.2 179.8-102.1 109.8 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 0.377 67.5 79.0 -90.0 7.6 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 0.547 84.3 64.4 -93.3 -8.6 18.0 61.8 2.3 35 35 A R S X S- 0 0 47 -3,-0.5 3,-2.0 4,-0.1 -1,-0.2 -0.913 110.7 -64.3-122.5 114.8 20.5 60.8 -0.5 36 36 A G T 3 S- 0 0 28 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.261 112.7 -19.0 56.5-139.3 19.7 61.0 -4.1 37 37 A D T 3 S- 0 0 112 60,-1.8 -1,-0.3 1,-0.3 62,-0.2 0.327 119.9 -83.1 -81.7 5.4 16.8 58.6 -5.2 38 38 A G < - 0 0 2 -3,-2.0 62,-2.4 60,-0.2 2,-0.4 -0.179 27.9-107.2 117.3 158.6 17.5 56.6 -2.1 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.9 60,-0.2 2,-0.4 -0.994 36.8-171.6-122.5 125.1 19.7 54.0 -0.5 40 40 A F E -Ef 31 101B 22 60,-2.6 62,-2.1 -2,-0.4 2,-0.4 -0.986 7.9-162.2-125.5 128.8 17.9 50.6 0.0 41 41 A T E - f 0 102B 0 -11,-2.2 14,-2.7 -2,-0.4 -11,-0.3 -0.947 11.2-165.8-122.0 133.8 19.2 47.6 1.9 42 42 A Y E -Gf 54 103B 26 60,-2.9 62,-2.5 -2,-0.4 2,-0.6 -0.806 21.3-126.9-117.7 157.3 17.7 44.1 1.5 43 43 A D E -Gf 53 104B 22 10,-2.8 10,-2.0 -2,-0.3 62,-0.2 -0.913 14.9-173.2-102.8 115.7 17.8 40.8 3.3 44 44 A A > - 0 0 2 60,-2.7 3,-2.3 -2,-0.6 5,-0.3 0.508 30.5-141.8 -88.6 -2.4 18.8 37.9 0.9 45 45 A K T 3 - 0 0 107 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.784 62.0 -57.0 56.4 38.6 18.1 35.5 3.8 46 46 A Y T 3 S+ 0 0 111 59,-2.6 -1,-0.3 1,-0.3 60,-0.2 0.501 114.5 111.2 69.0 9.8 21.0 33.1 3.0 47 47 A R S < S- 0 0 177 -3,-2.3 60,-2.3 58,-0.3 -1,-0.3 -0.441 70.7-130.3-103.3 175.8 19.8 32.5 -0.6 48 48 A T S S+ 0 0 84 58,-0.2 2,-0.4 -2,-0.1 -3,-0.1 0.309 72.2 111.1-108.5 6.5 21.3 33.6 -3.9 49 49 A T S S- 0 0 93 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.655 70.9-101.4 -80.3 135.1 18.1 35.1 -5.3 50 50 A L S S- 0 0 58 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.876 80.1 -1.9-122.3 151.1 18.5 38.9 -5.5 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.986 78.3-166.7 -88.2 -8.7 17.7 41.3 -4.3 52 52 A G - 0 0 34 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.803 47.6 -27.6 97.6-153.2 15.7 39.6 -1.6 53 53 A S E -G 43 0B 50 -10,-2.0 -10,-2.8 -2,-0.3 -8,-0.1 -0.865 66.1-104.7-105.8 139.7 13.2 41.6 0.7 54 54 A L E -G 42 0B 31 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.360 54.2 -98.2 -62.9 135.9 13.6 45.2 1.6 55 55 A W - 0 0 12 -14,-2.7 -25,-2.2 -25,-0.3 2,-0.4 -0.440 48.5-172.9 -70.7 121.7 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 -0.915 6.0-177.2-116.6 141.0 11.9 45.6 7.6 57 57 A D E -D 28 0A 22 -29,-2.5 -29,-3.1 -2,-0.4 3,-0.1 -0.997 24.1-140.6-141.0 142.2 12.2 46.0 11.3 58 58 A A S S+ 0 0 75 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.776 94.7 20.7 -75.1 -32.3 9.5 46.4 14.0 59 59 A D S S- 0 0 95 2,-0.2 -1,-0.2 -31,-0.1 3,-0.1 0.347 95.2-114.3-127.5 13.3 11.0 49.0 16.3 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.7 -32,-0.2 2,-0.4 0.695 81.8 112.1 66.6 25.4 13.7 51.0 14.5 61 61 A Q E -b 9 0A 100 -53,-0.2 2,-0.5 -51,-0.0 3,-0.2 -0.955 48.4-166.5-127.1 122.4 16.5 49.6 16.7 62 62 A F E +b 10 0A 0 -53,-3.7 -51,-2.2 -2,-0.4 9,-0.1 -0.469 41.7 125.4-118.9 71.7 19.0 47.3 15.0 63 63 A F + 0 0 57 -2,-0.5 -1,-0.2 -53,-0.2 2,-0.2 0.340 38.6 110.9-106.7 4.5 21.0 45.6 17.8 64 64 A A S >> S- 0 0 51 -3,-0.2 3,-1.1 1,-0.1 4,-0.8 -0.508 75.9-123.4 -75.7 153.9 20.4 41.9 16.8 65 65 A S G >4 S+ 0 0 116 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.913 113.7 57.8 -69.3 -26.2 23.4 40.1 15.5 66 66 A Y G 34 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.752 103.9 54.8 -67.4 -26.0 21.5 39.2 12.3 67 67 A D G X> S+ 0 0 16 -3,-1.1 4,-2.4 1,-0.2 3,-0.6 0.705 84.8 86.6 -76.5 -26.1 21.0 43.0 11.8 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.873 113.5 51.5 -63.7 -33.7 25.7 43.5 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.6 4,-2.5 -4,-0.4 5,-0.3 0.906 106.4 52.9 -70.1 -43.0 22.6 45.4 7.2 71 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -60,-0.2 5,-0.2 0.948 114.5 42.3 -56.1 -50.2 23.4 48.4 9.4 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.4 0.922 112.6 51.4 -68.9 -36.4 26.9 48.7 8.0 73 73 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.912 115.8 43.7 -62.1 -42.7 25.9 48.1 4.4 74 74 A H H X S+ 0 0 4 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.963 118.6 42.1 -67.9 -44.7 23.3 50.8 4.7 75 75 A Y H X S+ 0 0 92 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.908 114.4 49.0 -71.4 -41.3 25.4 53.3 6.6 76 76 A Y H X S+ 0 0 4 -4,-3.0 4,-2.2 1,-0.3 -1,-0.2 0.851 106.1 56.7 -78.9 -20.9 28.6 52.8 4.6 77 77 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.4 -1,-0.3 0.927 108.1 50.6 -67.2 -36.8 26.8 53.2 1.3 78 78 A G H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.922 110.0 48.6 -64.9 -46.1 25.6 56.6 2.7 79 79 A V H X S+ 0 0 14 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.883 112.3 48.6 -61.2 -41.8 29.2 57.6 3.6 80 80 A T H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.880 110.1 50.9 -65.9 -39.0 30.5 56.6 0.2 81 81 A Y H X S+ 0 0 15 -4,-2.2 4,-2.1 1,-0.2 11,-0.3 0.903 111.3 49.9 -63.0 -42.3 27.6 58.6 -1.5 82 82 A D H X S+ 0 0 39 -4,-2.5 4,-3.0 2,-0.2 5,-0.4 0.887 107.8 53.1 -64.6 -39.5 28.6 61.6 0.7 83 83 A Y H X>S+ 0 0 10 -4,-2.2 4,-2.9 1,-0.2 5,-0.7 0.974 112.1 44.1 -58.2 -51.9 32.3 61.3 -0.3 84 84 A Y H X5S+ 0 0 7 -4,-2.1 6,-2.6 1,-0.2 4,-1.0 0.856 118.6 44.1 -64.5 -34.1 31.6 61.3 -4.0 85 85 A K H X5S+ 0 0 91 -4,-2.1 4,-1.2 4,-0.3 -1,-0.2 0.939 120.7 37.0 -73.6 -51.6 29.1 64.2 -3.7 86 86 A N H <5S+ 0 0 94 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.840 128.5 31.7 -71.2 -39.2 31.1 66.4 -1.3 87 87 A V H <5S+ 0 0 53 -4,-2.9 -3,-0.2 -5,-0.4 -1,-0.2 0.827 135.8 19.7 -87.9 -43.4 34.6 65.8 -2.7 88 88 A H H < S- 0 0 7 -2,-1.0 3,-1.0 -11,-0.3 7,-0.1 -0.033 92.3 -55.9 62.1-176.1 25.5 58.8 -7.0 93 93 A Y T 3 S+ 0 0 24 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.832 137.4 43.8 -75.2 -25.1 27.3 56.3 -9.3 94 94 A D T 3 S- 0 0 49 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.366 110.2-116.0 -94.6 -0.9 25.7 57.4 -12.6 95 95 A G S < S+ 0 0 34 -3,-1.0 -4,-0.2 -4,-0.3 -3,-0.2 0.529 102.8 81.8 80.6 5.9 26.0 61.1 -11.8 96 96 A N S S- 0 0 123 -5,-0.2 -4,-0.2 -6,-0.1 -1,-0.1 -0.035 112.6 -95.3-133.9 26.4 22.2 61.4 -11.7 97 97 A N - 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0 0 71 -4,-0.4 15,-2.2 15,-0.3 2,-1.0 -0.651 25.3-157.9 -89.4 120.2 30.2 33.3 1.3 111 111 A N + 0 0 52 -2,-0.5 2,-0.3 13,-0.2 -1,-0.1 -0.329 61.2 59.6 -92.5 52.2 33.6 34.9 1.5 112 112 A N - 0 0 80 -2,-1.0 11,-2.6 18,-0.0 2,-0.3 -0.994 53.6-154.0-163.9 174.1 33.1 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 -0.967 25.0 171.8-152.1 145.4 31.1 41.0 -1.7 114 114 A F E -I 121 0B 45 7,-2.6 7,-1.8 -2,-0.3 2,-0.5 -0.986 39.4-119.0-158.7 157.0 30.6 42.5 -5.2 115 115 A W E -I 120 0B 22 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.800 28.0-164.9 -87.8 123.7 28.9 45.0 -7.4 116 116 A N - 0 0 67 3,-2.7 4,-0.1 -2,-0.5 -1,-0.1 0.159 52.3 -88.9 -98.6 15.0 26.9 42.9 -9.9 117 117 A G S S+ 0 0 36 2,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.149 125.0 37.8 99.5 -23.1 26.2 45.6 -12.5 118 118 A S S S- 0 0 87 1,-0.4 2,-0.3 -17,-0.0 -17,-0.2 0.514 122.3 -3.7-132.9 -23.3 22.9 46.7 -10.8 119 119 A E S S- 0 0 14 -19,-0.1 -3,-2.7 -5,-0.1 -1,-0.4 -0.977 70.4 -88.6-165.3 170.9 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 -0.640 33.6-167.2 -91.6 145.6 25.9 45.5 -4.1 121 121 A V E -hI 103 114B 0 -7,-1.8 -7,-2.6 -2,-0.3 2,-0.4 -0.995 2.3-168.2-133.1 130.3 25.9 42.0 -2.7 122 122 A Y E - 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0 0 83 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.815 28.5-125.7 -85.4 125.4 57.8 63.4 -3.7 257 257 A G - 0 0 29 -2,-0.6 -12,-0.2 -11,-0.4 -11,-0.2 -0.389 22.4-171.7 -68.7 145.3 54.4 62.9 -2.2 258 258 A I - 0 0 28 -14,-2.9 4,-0.4 1,-0.2 -13,-0.2 0.376 46.9-109.5-116.1 -0.9 51.6 65.4 -3.1 259 259 A G > - 0 0 24 -14,-2.0 4,-1.9 -15,-0.5 3,-0.2 0.117 27.9 -75.6 99.6 169.3 49.0 64.0 -0.7 260 260 A R H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.781 119.2 58.2 -75.7 -39.1 45.7 62.2 -0.7 261 261 A D H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 111.6 40.7 -58.9 -48.6 43.5 65.0 -1.8 262 262 A K H > S+ 0 0 73 -4,-0.4 4,-2.8 -3,-0.2 5,-0.2 0.847 111.1 58.2 -70.9 -36.8 45.4 65.7 -5.0 263 263 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.948 108.9 46.0 -51.3 -51.7 45.8 61.9 -5.6 264 264 A G H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.920 112.6 49.6 -59.2 -42.6 41.9 61.7 -5.6 265 265 A K H X S+ 0 0 94 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.914 112.6 47.7 -68.0 -39.9 41.5 64.7 -7.9 266 266 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.946 116.5 40.9 -64.1 -50.5 44.0 63.4 -10.4 267 267 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.838 113.1 54.0 -69.9 -33.6 42.6 59.8 -10.6 268 268 A Y H X S+ 0 0 30 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.933 112.1 45.4 -64.2 -42.8 39.0 60.9 -10.6 269 269 A R H X>S+ 0 0 74 -4,-2.0 4,-2.1 -5,-0.3 5,-0.6 0.940 113.4 49.2 -63.5 -46.4 39.7 63.2 -13.5 270 270 A A H X>S+ 0 0 0 -4,-2.2 5,-1.8 -5,-0.2 4,-1.7 0.957 113.9 47.5 -58.6 -45.5 41.6 60.5 -15.4 271 271 A L H <5S+ 0 0 1 -4,-2.9 -118,-0.3 1,-0.2 -2,-0.2 0.894 119.6 36.0 -65.7 -40.1 38.8 58.0 -14.7 272 272 A T H <5S+ 0 0 40 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.636 129.9 26.8 -93.9 -11.3 35.9 60.3 -15.8 273 273 A Q H <5S+ 0 0 117 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.630 128.4 19.5-120.4 -28.4 37.6 62.1 -18.7 274 274 A Y T < - 0 0 62 -2,-0.2 3,-1.8 -122,-0.1 -123,-0.1 -0.811 41.5 -85.5-127.9 178.3 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 0.729 125.3 37.5 -60.1 -30.8 37.1 50.5 -21.8 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.155 79.4 145.1-111.5 21.5 40.4 49.0 -23.2 279 279 A S < - 0 0 3 -3,-1.8 -115,-0.2 -126,-0.2 2,-0.2 -0.295 32.1-157.5 -57.9 138.8 42.9 51.4 -21.5 280 280 A N > - 0 0 63 -120,-0.1 4,-2.3 -119,-0.1 5,-0.1 -0.439 36.1 -87.7-108.1-176.0 46.2 49.6 -20.6 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.884 126.1 52.9 -63.3 -39.1 48.8 50.7 -18.0 282 282 A S H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 110.1 47.7 -64.8 -35.7 50.7 52.9 -20.3 283 283 A Q H > S+ 0 0 91 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.927 108.0 56.9 -76.2 -23.8 47.6 54.8 -21.3 284 284 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.959 106.4 50.2 -64.4 -42.6 46.7 55.1 -17.5 285 285 A R H X S+ 0 0 36 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.945 111.8 46.8 -60.9 -45.9 50.0 56.8 -17.1 286 286 A A H X S+ 0 0 61 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.895 113.2 49.5 -61.5 -41.1 49.3 59.2 -20.0 287 287 A A H X S+ 0 0 8 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.902 111.8 47.8 -64.6 -40.9 45.8 59.9 -18.6 288 288 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.910 112.8 48.7 -69.2 -41.5 47.1 60.6 -15.1 289 289 A V H X S+ 0 0 23 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.927 112.5 48.0 -61.3 -44.4 49.8 62.9 -16.4 290 290 A Q H X S+ 0 0 85 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.899 112.1 50.5 -63.6 -38.4 47.3 64.8 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.895 110.7 47.0 -64.7 -44.7 44.9 65.1 -15.7 292 292 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.882 112.6 52.5 -64.5 -36.3 47.6 66.5 -13.4 293 293 A T H X S+ 0 0 37 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.955 108.8 49.0 -62.8 -46.7 48.5 68.9 -16.2 294 294 A D H < S+ 0 0 61 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.893 120.4 37.2 -57.0 -45.1 45.0 70.1 -16.6 295 295 A L H < S+ 0 0 68 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.838 134.4 14.6 -78.5 -41.3 44.7 70.7 -12.9 296 296 A Y H < S- 0 0 61 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.505 106.4 -95.1-121.0 -2.9 48.1 72.0 -11.9 297 297 A G >< - 0 0 32 -4,-2.7 3,-1.8 -5,-0.4 6,-0.4 0.170 36.0 -90.8 99.4 142.7 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 0.694 125.1 47.9 -66.7 -16.1 52.7 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 0.292 87.4 120.6-111.6 22.8 55.6 72.3 -14.9 300 300 A S S <> S- 0 0 18 -3,-1.8 4,-1.9 1,-0.1 5,-0.1 -0.277 73.9-120.9 -78.8 163.5 54.0 71.6 -11.6 301 301 A Q H > S+ 0 0 97 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.853 113.1 63.5 -63.5 -33.7 55.4 69.4 -8.9 302 302 A E H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.942 104.0 44.0 -60.1 -48.7 52.2 67.4 -9.2 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.2 -11,-0.2 -1,-0.2 0.928 113.1 53.4 -59.5 -44.1 52.9 66.4 -12.8 304 304 A A H X S+ 0 0 42 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.932 108.7 48.5 -62.0 -39.4 56.5 65.6 -11.8 305 305 A S H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.831 107.8 53.9 -69.1 -36.4 55.4 63.3 -9.0 306 306 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 5,-0.3 0.915 111.2 47.0 -61.6 -42.3 53.0 61.4 -11.2 307 307 A K H X S+ 0 0 87 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.934 112.5 48.4 -63.5 -45.8 55.8 60.7 -13.7 308 308 A Q H X S+ 0 0 76 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.884 109.7 53.3 -59.9 -41.3 58.3 59.6 -11.1 309 309 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.927 111.9 43.2 -63.7 -46.7 55.7 57.3 -9.5 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-3.0 2,-0.2 4,-0.4 0.901 113.9 52.1 -67.5 -35.8 54.9 55.5 -12.8 311 311 A D H ><5S+ 0 0 46 -4,-2.4 3,-1.4 -5,-0.3 -2,-0.2 0.945 105.8 56.1 -60.9 -39.4 58.7 55.4 -13.6 312 312 A A H 3<5S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.825 110.7 42.9 -64.0 -32.3 59.3 53.8 -10.1 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.4 -3,-0.2 -1,-0.3 0.319 119.6-109.7 -97.4 10.4 56.9 50.9 -10.9 314 314 A G T < 5S+ 0 0 13 -3,-1.4 2,-0.7 -4,-0.4 -3,-0.2 0.743 70.2 140.5 79.2 22.1 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 -0.869 360.0 360.0-106.3 113.2 55.3 51.8 -16.3 316 316 A K 0 0 154 -2,-0.7 -1,-0.2 -3,-0.1 -5,-0.1 0.633 360.0 360.0-105.9 360.0 56.2 53.9 -19.3