==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-AUG-00 1FJO . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR A.C.ENGLISH,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) . 12758.0 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 . 19 6.0 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 . 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 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 83 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 153.5 8.3 52.3 -0.0 2 2 A T + 0 0 135 23,-0.0 2,-0.3 21,-0.0 21,-0.0 -0.844 360.0 102.5 -98.5 121.3 6.2 55.4 0.6 3 3 A G - 0 0 37 -2,-0.5 2,-0.5 22,-0.0 22,-0.2 -0.961 68.3 -52.4-168.2-161.7 6.5 56.6 4.2 4 4 A T E -A 24 0A 93 20,-2.5 20,-3.5 -2,-0.3 2,-0.1 -0.880 48.5-123.3-101.5 133.1 7.9 59.1 6.7 5 5 A S E +A 23 0A 69 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.433 44.9 151.3 -71.7 138.8 11.7 59.6 7.0 6 6 A T E -A 22 0A 52 16,-2.8 16,-2.5 -2,-0.1 2,-0.4 -0.861 40.6-105.8-156.4-177.9 13.2 59.0 10.4 7 7 A V E -A 21 0A 79 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -0.992 29.2-176.4-126.7 127.8 16.3 58.0 12.2 8 8 A G E -A 20 0A 3 12,-3.1 12,-2.2 -2,-0.4 2,-0.3 -0.518 15.8-132.3-114.2 177.4 17.0 54.6 13.8 9 9 A V E +Ab 19 61A 30 51,-1.6 53,-3.8 10,-0.2 2,-0.3 -0.968 32.4 139.5-132.9 146.7 19.9 53.2 15.8 10 10 A G E -Ab 18 62A 0 8,-2.1 8,-2.6 -2,-0.3 2,-0.4 -0.946 42.7 -94.1-162.4-168.6 21.9 50.0 15.7 11 11 A R E -A 17 0A 116 51,-2.2 60,-0.2 -2,-0.3 6,-0.2 -0.991 31.5-139.4-126.1 139.6 25.2 48.3 16.0 12 12 A G > - 0 0 4 4,-2.5 3,-2.3 -2,-0.4 56,-0.2 -0.088 39.9 -83.1 -84.3-176.5 27.5 47.4 13.1 13 13 A V T 3 S+ 0 0 31 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.860 128.9 50.4 -56.8 -37.5 29.6 44.2 12.4 14 14 A L T 3 S- 0 0 78 54,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.456 121.3-103.8 -87.2 2.5 32.4 45.5 14.7 15 15 A G S < S+ 0 0 46 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.478 74.1 140.5 93.9 1.1 30.1 46.3 17.6 16 16 A D - 0 0 55 1,-0.0 -4,-2.5 -5,-0.0 2,-0.3 -0.565 50.1-125.9 -83.9 143.3 30.1 50.1 17.1 17 17 A Q E +A 11 0A 134 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.705 36.5 167.9 -89.4 133.3 26.8 52.0 17.6 18 18 A K E -A 10 0A 15 -8,-2.6 -8,-2.1 -2,-0.3 2,-0.3 -0.994 34.1-121.3-144.8 161.2 25.5 54.2 14.8 19 19 A N E -A 9 0A 106 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.747 31.5-168.6 -96.8 142.3 22.4 56.2 13.7 20 20 A I E -A 8 0A 3 -12,-2.2 -12,-3.1 -2,-0.3 2,-0.4 -0.988 24.7-113.2-133.2 152.5 21.0 55.2 10.3 21 21 A N E +A 7 0A 43 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.634 45.4 167.1 -84.3 127.0 18.3 56.8 8.1 22 22 A T E -A 6 0A 1 -16,-2.5 -16,-2.8 -2,-0.4 2,-0.4 -0.714 29.3-126.4-132.7 176.1 15.2 54.7 7.8 23 23 A T E -AC 5 29A 0 6,-1.8 6,-3.2 -18,-0.2 2,-0.5 -0.999 15.9-143.3-129.3 138.2 11.6 55.1 6.6 24 24 A Y E +AC 4 28A 97 -20,-3.5 -20,-2.5 -2,-0.4 4,-0.2 -0.840 39.1 137.8-106.6 131.3 8.4 54.4 8.5 25 25 A S S S- 0 0 46 2,-2.7 2,-2.4 -2,-0.5 -2,-0.0 -0.640 94.2 -48.9-162.0 72.7 5.3 52.8 7.0 26 26 A T S S+ 0 0 115 -2,-0.2 2,-0.2 32,-0.0 -2,-0.1 -0.379 140.1 37.0 89.5 -60.7 3.9 50.2 9.4 27 27 A Y S S- 0 0 115 -2,-2.4 -2,-2.7 32,-0.0 2,-0.5 -0.643 95.5-110.8-105.9 167.3 7.4 48.7 9.7 28 28 A Y E -CD 24 57A 60 29,-3.4 29,-2.5 -4,-0.2 2,-0.3 -0.916 40.1-159.3 -99.1 130.6 10.7 50.7 9.8 29 29 A Y E -CD 23 56A 40 -6,-3.2 2,-2.3 -2,-0.5 -6,-1.8 -0.809 28.3-115.6-113.4 153.7 12.6 50.0 6.6 30 30 A L S S+ 0 0 0 25,-2.2 11,-2.3 -2,-0.3 2,-0.4 -0.532 71.7 128.8 -84.6 83.6 16.3 50.4 5.7 31 31 A Q E -E 40 0B 9 -2,-2.3 2,-0.7 9,-0.2 9,-0.2 -0.964 44.8-159.6-142.5 114.1 15.4 53.1 3.2 32 32 A D E +E 39 0B 2 7,-2.6 7,-1.6 -2,-0.4 3,-0.5 -0.892 10.9 179.3-105.2 106.9 17.4 56.4 3.3 33 33 A N + 0 0 60 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.405 67.9 78.7 -85.7 -0.3 15.4 59.1 1.5 34 34 A T S S+ 0 0 86 1,-0.2 2,-0.5 5,-0.1 -1,-0.2 0.562 84.2 63.8 -89.7 -7.6 18.0 61.8 2.2 35 35 A R S > S- 0 0 46 -3,-0.5 3,-2.2 4,-0.1 -1,-0.2 -0.921 111.0 -63.1-124.0 113.4 20.5 60.8 -0.5 36 36 A G T 3 S- 0 0 24 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.222 113.7 -19.1 56.3-138.6 19.7 61.0 -4.2 37 37 A D T 3 S- 0 0 109 60,-2.0 -1,-0.3 1,-0.3 62,-0.2 0.352 119.5 -82.0 -83.5 11.9 16.8 58.7 -5.2 38 38 A G < - 0 0 2 -3,-2.2 62,-2.3 60,-0.2 2,-0.4 -0.194 28.9-107.5 113.3 155.7 17.5 56.7 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.6 -7,-2.6 60,-0.2 2,-0.4 -0.995 36.6-169.6-122.7 122.9 19.7 54.0 -0.5 40 40 A F E -Ef 31 101B 22 60,-2.7 62,-1.9 -2,-0.4 2,-0.4 -0.991 7.2-161.8-121.3 130.6 17.8 50.7 -0.0 41 41 A T E - f 0 102B 0 -11,-2.3 14,-2.6 -2,-0.4 -11,-0.3 -0.952 11.5-166.5-120.3 127.6 19.1 47.6 1.9 42 42 A Y E -Gf 54 103B 27 60,-2.7 62,-2.4 -2,-0.4 2,-0.6 -0.799 21.2-128.0-115.5 157.4 17.7 44.1 1.4 43 43 A D E -Gf 53 104B 21 10,-3.0 10,-2.0 -2,-0.3 62,-0.2 -0.898 14.9-174.0-101.7 116.5 17.8 40.8 3.2 44 44 A A > - 0 0 3 60,-2.7 3,-2.3 -2,-0.6 5,-0.3 0.535 30.6-142.0 -91.0 -1.4 18.8 37.9 0.9 45 45 A K T 3 - 0 0 108 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.817 62.0 -56.8 55.1 39.6 18.1 35.5 3.7 46 46 A Y T 3 S+ 0 0 108 59,-2.7 -1,-0.3 1,-0.3 60,-0.2 0.518 114.6 111.8 68.7 10.8 21.0 33.2 3.0 47 47 A R S < S- 0 0 174 -3,-2.3 60,-2.3 58,-0.3 -1,-0.3 -0.460 70.5-131.0-104.4 176.4 19.8 32.6 -0.6 48 48 A T S S+ 0 0 84 58,-0.2 2,-0.3 -2,-0.1 -3,-0.1 0.314 72.0 111.1-109.3 5.4 21.3 33.7 -3.9 49 49 A T S S- 0 0 92 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.651 71.0-102.2 -79.3 136.2 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 -0.879 80.1 -2.1-122.9 150.7 18.4 38.9 -5.6 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.987 78.2-168.2 -86.7 -12.2 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 -0.746 48.2 -26.0 97.6-152.6 15.6 39.6 -1.6 53 53 A S E -G 43 0B 51 -10,-2.0 -10,-3.0 -2,-0.3 -8,-0.1 -0.829 65.8-105.4-105.6 140.8 13.2 41.6 0.7 54 54 A L E -G 42 0B 32 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.406 54.2 -97.9 -62.3 134.9 13.6 45.3 1.6 55 55 A W - 0 0 11 -14,-2.6 -25,-2.2 -25,-0.3 2,-0.4 -0.434 48.4-172.8 -68.8 119.8 14.8 45.2 5.2 56 56 A A E -D 29 0A 46 -27,-0.2 2,-0.3 -2,-0.2 -27,-0.2 -0.907 6.0-176.8-115.2 139.6 11.9 45.7 7.6 57 57 A D E -D 28 0A 22 -29,-2.5 -29,-3.4 -2,-0.4 3,-0.1 -0.996 23.7-141.5-138.6 140.9 12.2 46.1 11.3 58 58 A A S S+ 0 0 76 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.787 94.7 20.4 -77.4 -29.5 9.4 46.5 14.0 59 59 A D S S- 0 0 89 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.309 95.1-114.5-127.4 11.3 10.9 49.0 16.3 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.6 -32,-0.2 2,-0.4 0.702 81.5 113.1 67.8 24.1 13.7 51.0 14.5 61 61 A Q E -b 9 0A 99 -53,-0.2 2,-0.5 -51,-0.0 -51,-0.3 -0.993 48.3-165.9-122.2 122.1 16.5 49.6 16.7 62 62 A F E +b 10 0A 0 -53,-3.8 -51,-2.2 -2,-0.4 9,-0.1 -0.570 42.4 125.2-118.9 70.5 19.0 47.3 15.0 63 63 A F + 0 0 61 -2,-0.5 -1,-0.2 -53,-0.2 2,-0.1 0.390 37.2 110.2-105.5 5.2 20.9 45.6 17.7 64 64 A A S >> S- 0 0 51 -3,-0.2 3,-1.0 1,-0.1 4,-0.9 -0.461 75.4-124.6 -75.7 150.4 20.3 41.9 16.8 65 65 A S G >4 S+ 0 0 115 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.930 114.1 58.9 -66.8 -28.8 23.5 40.1 15.5 66 66 A Y G 34 S+ 0 0 71 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.759 104.1 54.3 -65.3 -26.4 21.5 39.2 12.3 67 67 A D G X> S+ 0 0 16 -3,-1.0 4,-2.4 1,-0.2 3,-0.9 0.719 85.0 86.6 -75.1 -27.2 21.0 43.0 11.8 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.827 113.5 52.4 -66.7 -28.6 25.8 43.5 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.9 4,-2.5 -4,-0.3 5,-0.3 0.894 106.0 54.0 -73.0 -41.8 22.6 45.4 7.2 71 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 -60,-0.2 5,-0.2 0.955 114.4 39.7 -51.0 -53.8 23.4 48.3 9.4 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.879 112.4 53.9 -71.2 -37.3 26.9 48.8 8.0 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.921 115.2 42.9 -56.9 -44.3 25.9 48.1 4.4 74 74 A H H X S+ 0 0 4 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.956 118.6 43.0 -67.3 -47.0 23.3 50.8 4.7 75 75 A Y H X S+ 0 0 90 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.931 114.8 47.5 -69.7 -42.4 25.5 53.3 6.6 76 76 A Y H X S+ 0 0 4 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.803 106.9 56.3 -76.9 -25.3 28.6 52.9 4.5 77 77 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.916 108.3 50.7 -65.9 -34.1 26.8 53.2 1.3 78 78 A G H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.963 110.5 48.0 -66.7 -43.5 25.6 56.6 2.7 79 79 A V H X S+ 0 0 18 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.932 111.7 49.7 -65.7 -38.5 29.2 57.6 3.6 80 80 A T H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.910 110.1 50.3 -66.7 -40.2 30.5 56.6 0.1 81 81 A Y H X S+ 0 0 17 -4,-2.3 4,-2.1 1,-0.2 11,-0.2 0.916 111.1 50.5 -61.1 -43.4 27.6 58.7 -1.5 82 82 A D H X S+ 0 0 35 -4,-2.5 4,-3.3 -5,-0.2 5,-0.3 0.904 107.8 52.5 -60.8 -44.8 28.6 61.6 0.7 83 83 A Y H X>S+ 0 0 11 -4,-2.2 4,-2.8 2,-0.2 5,-0.7 0.962 112.0 44.5 -57.0 -53.9 32.3 61.4 -0.3 84 84 A Y H X5S+ 0 0 8 -4,-2.2 6,-2.8 1,-0.2 4,-0.9 0.866 118.4 44.4 -62.8 -33.6 31.5 61.4 -4.0 85 85 A K H X5S+ 0 0 81 -4,-2.1 4,-1.1 4,-0.3 -1,-0.2 0.965 121.3 35.8 -73.2 -52.8 29.1 64.3 -3.7 86 86 A N H <5S+ 0 0 90 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.802 128.4 32.1 -74.8 -35.3 31.1 66.5 -1.3 87 87 A V H <5S+ 0 0 55 -4,-2.8 -3,-0.2 -5,-0.3 -1,-0.2 0.834 136.0 18.9 -90.4 -42.3 34.6 65.8 -2.7 88 88 A H H < S- 0 0 8 -2,-0.9 3,-0.8 -11,-0.2 7,-0.1 0.025 91.6 -57.2 62.7-171.3 25.5 58.8 -7.0 93 93 A Y T 3 S+ 0 0 27 5,-0.3 -1,-0.2 1,-0.3 58,-0.2 0.831 136.9 44.3 -80.1 -27.4 27.3 56.4 -9.4 94 94 A D T 3 S- 0 0 48 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.2 0.423 109.6-117.6 -91.5 -1.2 25.6 57.4 -12.6 95 95 A G S < S+ 0 0 36 -3,-0.8 -4,-0.3 -4,-0.4 -3,-0.2 0.501 101.4 80.6 79.0 5.3 26.0 61.1 -11.8 96 96 A N S S- 0 0 126 -5,-0.1 -4,-0.2 -6,-0.1 -3,-0.1 -0.054 113.8 -93.1-134.0 33.0 22.2 61.6 -11.8 97 97 A N - 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0 0 72 -4,-0.4 15,-1.8 15,-0.3 2,-1.4 -0.576 25.2-156.9 -85.1 115.8 30.2 33.3 1.4 111 111 A N + 0 0 54 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.1 -0.332 61.3 58.9 -84.0 52.8 33.6 34.9 1.5 112 112 A N - 0 0 82 -2,-1.4 11,-2.4 2,-0.0 2,-0.3 -0.986 53.7-152.7-166.6 172.1 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 -0.970 24.6 171.0-149.7 147.6 31.2 41.0 -1.8 114 114 A F E -I 121 0B 48 7,-2.9 7,-1.9 -2,-0.3 2,-0.5 -0.995 39.9-119.4-161.6 157.3 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 -0.816 27.9-165.1 -90.6 122.1 28.9 45.0 -7.4 116 116 A N - 0 0 66 3,-2.6 4,-0.1 -2,-0.5 -1,-0.1 0.164 52.9 -88.7 -99.0 20.7 26.9 42.9 -9.9 117 117 A G S S+ 0 0 39 2,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.168 124.5 38.4 95.4 -26.2 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,-0.3 0.542 122.0 -3.9-128.6 -27.3 22.9 46.7 -10.8 119 119 A E S S- 0 0 14 -19,-0.1 -3,-2.6 -5,-0.0 -1,-0.4 -0.977 71.4 -88.0-161.2 170.9 23.5 46.5 -7.0 120 120 A M E -hI 102 115B 0 -19,-2.6 -17,-1.9 -2,-0.3 2,-0.4 -0.607 34.1-168.1 -89.8 145.9 25.9 45.6 -4.2 121 121 A V E -hI 103 114B 0 -7,-1.9 -7,-2.9 -2,-0.3 2,-0.4 -0.995 2.6-170.7-134.4 131.8 25.9 42.1 -2.8 122 122 A Y E - 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0 0 86 -2,-0.4 -9,-0.3 -9,-0.2 2,-0.1 -0.847 29.8-126.8 -84.0 125.2 57.9 63.5 -3.6 257 257 A G - 0 0 29 -2,-0.6 -12,-0.3 -11,-0.4 -13,-0.2 -0.430 20.7-168.6 -72.7 149.7 54.4 62.9 -2.3 258 258 A I - 0 0 26 -14,-3.0 4,-0.4 1,-0.2 -13,-0.2 0.376 46.8-106.1-117.2 3.4 51.6 65.5 -3.0 259 259 A G > - 0 0 25 -14,-2.3 4,-1.7 -15,-0.4 -1,-0.2 0.131 29.2 -78.4 97.6 163.7 49.0 64.1 -0.6 260 260 A R H > S+ 0 0 89 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.759 119.3 59.6 -74.3 -38.1 45.7 62.2 -0.8 261 261 A D H > S+ 0 0 121 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.942 110.6 40.4 -60.1 -47.6 43.5 65.1 -1.8 262 262 A K H > S+ 0 0 70 -4,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.851 111.6 58.5 -69.0 -35.4 45.4 65.7 -5.0 263 263 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.927 108.6 45.6 -54.3 -50.7 45.7 62.0 -5.6 264 264 A G H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.885 112.9 50.4 -60.1 -42.3 41.9 61.7 -5.6 265 265 A K H X S+ 0 0 97 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.921 112.4 46.2 -69.0 -39.8 41.5 64.8 -7.9 266 266 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.935 116.9 42.4 -66.0 -48.9 44.0 63.5 -10.5 267 267 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.839 112.7 52.9 -69.5 -33.9 42.6 59.9 -10.6 268 268 A Y H X S+ 0 0 32 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.934 112.5 45.6 -65.7 -39.5 39.0 61.0 -10.6 269 269 A R H X>S+ 0 0 74 -4,-1.8 4,-1.9 -5,-0.2 5,-0.5 0.922 113.0 49.6 -66.7 -45.2 39.6 63.3 -13.5 270 270 A A H X>S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-1.8 0.958 113.9 46.9 -61.4 -42.1 41.6 60.6 -15.4 271 271 A L H <5S+ 0 0 1 -4,-2.9 -118,-0.3 1,-0.2 -2,-0.2 0.878 118.9 37.9 -66.7 -40.6 38.8 58.1 -14.8 272 272 A T H <5S+ 0 0 40 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.650 129.9 24.1 -93.6 -11.9 35.9 60.4 -15.8 273 273 A Q H <5S+ 0 0 117 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.676 128.7 23.6-123.9 -22.8 37.5 62.2 -18.8 274 274 A Y T < - 0 0 64 -2,-0.1 3,-1.6 -122,-0.1 -123,-0.1 -0.802 40.8 -88.7-125.7 175.7 38.3 54.1 -22.1 277 277 A P T 3 S+ 0 0 65 0, 0.0 -121,-2.5 0, 0.0 -123,-0.1 0.739 124.3 35.9 -59.9 -31.1 37.1 50.5 -21.9 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.105 79.3 146.0-115.5 23.7 40.4 49.1 -23.1 279 279 A S < - 0 0 3 -3,-1.6 -115,-0.2 -126,-0.1 2,-0.1 -0.341 33.0-154.1 -56.4 141.6 43.0 51.4 -21.6 280 280 A N > - 0 0 63 -120,-0.1 4,-2.0 -116,-0.1 5,-0.1 -0.419 34.8 -88.7-109.3-173.0 46.2 49.7 -20.6 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.890 127.4 53.8 -67.3 -37.0 48.8 50.8 -18.0 282 282 A S H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.955 109.3 48.5 -62.2 -37.3 50.7 52.9 -20.4 283 283 A Q H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.897 107.5 55.8 -73.5 -28.7 47.4 54.8 -21.3 284 284 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.928 105.5 52.1 -65.8 -42.5 46.6 55.2 -17.6 285 285 A R H X S+ 0 0 36 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.935 111.3 46.7 -58.9 -45.9 50.0 56.9 -17.1 286 286 A A H X S+ 0 0 61 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.901 112.7 49.9 -61.6 -41.5 49.2 59.3 -20.0 287 287 A A H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.907 112.0 47.2 -63.2 -40.5 45.7 60.0 -18.6 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.903 113.4 48.5 -70.2 -38.9 47.1 60.7 -15.1 289 289 A V H X S+ 0 0 24 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.942 113.1 47.0 -65.7 -45.3 49.8 63.0 -16.5 290 290 A Q H X S+ 0 0 84 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.911 112.5 50.6 -62.1 -42.0 47.3 64.9 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.899 111.0 47.5 -61.3 -47.4 44.9 65.2 -15.7 292 292 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.5 0.918 111.8 52.3 -62.3 -37.8 47.6 66.5 -13.4 293 293 A T H X S+ 0 0 35 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.936 108.9 49.2 -62.2 -48.3 48.6 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 0.841 120.1 36.6 -55.1 -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 0.808 134.8 15.0 -78.9 -40.2 44.6 70.8 -12.9 296 296 A Y H < S- 0 0 64 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.560 107.3 -95.2-118.4 -6.9 48.1 72.0 -11.8 297 297 A G >< - 0 0 31 -4,-2.4 3,-1.9 -5,-0.5 6,-0.3 0.122 34.5 -91.7 102.4 142.6 50.1 73.0 -14.9 298 298 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.648 125.0 48.6 -68.3 -11.4 52.6 71.1 -17.0 299 299 A T T 3 S+ 0 0 139 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.276 87.5 121.4-113.9 24.4 55.5 72.4 -15.0 300 300 A S S <> S- 0 0 19 -3,-1.9 4,-1.9 1,-0.1 5,-0.1 -0.265 73.0-123.0 -78.1 158.4 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 0.867 112.8 63.2 -59.3 -36.3 55.5 69.4 -8.9 302 302 A E H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.911 104.6 44.2 -59.9 -47.3 52.2 67.4 -9.1 303 303 A V H > S+ 0 0 2 -6,-0.3 4,-2.2 -11,-0.2 -1,-0.2 0.939 112.7 54.0 -61.3 -40.8 52.9 66.5 -12.8 304 304 A A H X S+ 0 0 40 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.939 108.4 47.6 -60.8 -45.0 56.5 65.7 -11.8 305 305 A S H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.827 107.6 55.0 -64.9 -39.9 55.5 63.3 -9.0 306 306 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.940 110.7 47.4 -60.0 -44.7 53.0 61.4 -11.2 307 307 A K H X S+ 0 0 87 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.933 112.4 47.9 -59.0 -46.3 55.7 60.8 -13.7 308 308 A Q H X S+ 0 0 79 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.867 109.0 54.4 -64.8 -40.2 58.3 59.6 -11.1 309 309 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.878 111.3 43.9 -58.9 -51.5 55.7 57.3 -9.5 310 310 A F H <>S+ 0 0 0 -4,-2.0 5,-3.0 2,-0.2 4,-0.4 0.918 113.6 52.1 -62.9 -36.9 55.0 55.5 -12.8 311 311 A D H ><5S+ 0 0 47 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.935 105.7 55.2 -60.5 -42.3 58.7 55.4 -13.6 312 312 A A H 3<5S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.793 110.8 43.6 -62.5 -32.0 59.3 53.8 -10.2 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.0 -3,-0.4 -1,-0.3 0.309 119.8-111.1 -95.8 7.5 56.8 51.0 -10.9 314 314 A G T < 5 + 0 0 13 -3,-1.3 2,-0.7 -4,-0.4 -3,-0.2 0.716 69.1 141.9 81.4 24.8 58.3 50.6 -14.4 315 315 A V < 0 0 3 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.846 360.0 360.0-101.2 114.2 55.2 51.9 -16.4 316 316 A K 0 0 155 -2,-0.7 -1,-0.1 -5,-0.1 -5,-0.1 0.598 360.0 360.0-105.1 360.0 56.1 54.0 -19.4