==== 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 30-OCT-98 7TLI . 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) . 12629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 71.5 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 . 21 6.6 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 . 104 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.8 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 81 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 146.2 8.7 52.1 0.3 2 2 A T + 0 0 135 21,-0.1 2,-0.3 23,-0.0 21,-0.0 -0.882 360.0 98.1 -91.0 128.0 6.5 55.2 0.7 3 3 A G S S- 0 0 42 -2,-0.5 2,-0.5 22,-0.1 22,-0.2 -0.912 71.6 -50.3-178.8-163.8 6.9 56.5 4.2 4 4 A T E -A 24 0A 91 20,-2.2 20,-3.2 -2,-0.3 2,-0.2 -0.898 48.5-125.0-100.5 131.9 8.4 59.0 6.7 5 5 A S E +A 23 0A 71 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.488 43.4 155.3 -76.1 144.8 12.2 59.4 6.8 6 6 A T E -A 22 0A 49 16,-2.7 16,-2.2 -2,-0.2 2,-0.4 -0.826 39.2-106.8-154.6-175.1 13.7 58.9 10.2 7 7 A V E -A 21 0A 79 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.992 29.2-172.2-130.6 128.0 17.0 58.0 11.9 8 8 A G E -A 20 0A 2 12,-3.3 12,-2.2 -2,-0.4 2,-0.4 -0.488 14.0-133.4-107.1 178.2 17.7 54.7 13.6 9 9 A V E +Ab 19 61A 32 51,-1.6 53,-3.2 10,-0.2 2,-0.3 -0.990 32.6 142.0-136.3 142.5 20.6 53.4 15.7 10 10 A G E -Ab 18 62A 0 8,-2.2 8,-2.8 -2,-0.4 2,-0.4 -0.921 42.2 -99.0-161.0-173.4 22.5 50.2 15.5 11 11 A R E -A 17 0A 108 51,-2.2 60,-0.2 -2,-0.3 6,-0.2 -0.983 31.8-139.3-122.1 139.4 25.9 48.4 15.8 12 12 A G > - 0 0 4 4,-2.5 3,-2.5 -2,-0.4 56,-0.2 -0.151 39.8 -81.4 -86.5-173.8 28.1 47.4 13.0 13 13 A V T 3 S+ 0 0 31 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.828 130.0 49.2 -55.9 -39.8 30.2 44.3 12.3 14 14 A L T 3 S- 0 0 80 54,-0.1 -1,-0.3 121,-0.1 -2,-0.0 0.276 121.5-103.6 -88.7 14.2 33.0 45.6 14.6 15 15 A G S < S+ 0 0 49 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.467 73.8 141.6 80.8 4.4 30.7 46.5 17.5 16 16 A D - 0 0 50 1,-0.1 -4,-2.5 -5,-0.0 2,-0.3 -0.530 50.0-125.1 -81.3 145.2 30.7 50.3 16.8 17 17 A Q E +A 11 0A 134 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.670 37.5 166.8 -89.9 130.7 27.4 52.2 17.3 18 18 A K E -A 10 0A 13 -8,-2.8 -8,-2.2 -2,-0.3 2,-0.3 -0.997 33.8-120.4-141.2 160.7 26.2 54.3 14.4 19 19 A N E -A 9 0A 105 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.686 30.0-166.5 -96.2 146.2 23.1 56.2 13.3 20 20 A I E -A 8 0A 3 -12,-2.2 -12,-3.3 -2,-0.3 2,-0.4 -0.990 24.7-114.6-135.4 145.1 21.5 55.1 10.0 21 21 A N E +A 7 0A 42 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.646 45.4 169.5 -76.9 125.9 18.8 56.7 7.8 22 22 A T E -A 6 0A 1 -16,-2.2 -16,-2.7 -2,-0.4 2,-0.4 -0.699 29.1-128.2-132.2 172.9 15.7 54.6 7.7 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.4 -18,-0.2 2,-0.5 -0.998 17.3-142.7-128.6 133.1 12.1 54.9 6.5 24 24 A Y E +AC 4 28A 96 -20,-3.2 -20,-2.2 -2,-0.4 4,-0.2 -0.887 39.3 138.7-103.2 130.5 9.0 54.3 8.6 25 25 A S S S- 0 0 45 2,-2.8 2,-2.9 -2,-0.5 -22,-0.1 -0.604 92.8 -50.4-164.0 81.7 5.9 52.7 7.2 26 26 A T S S+ 0 0 114 -2,-0.1 2,-0.2 32,-0.0 -2,-0.0 -0.250 140.1 36.8 75.3 -57.3 4.5 50.2 9.7 27 27 A Y S S- 0 0 115 -2,-2.9 -2,-2.8 32,-0.0 2,-0.5 -0.745 96.5-109.7-105.7 169.5 8.0 48.7 10.0 28 28 A Y E -CD 24 57A 58 29,-3.5 29,-2.8 -2,-0.2 2,-0.3 -0.899 40.3-159.1 -99.3 126.3 11.3 50.6 9.9 29 29 A Y E -CD 23 56A 36 -6,-3.4 2,-2.2 -2,-0.5 -6,-1.9 -0.833 28.0-115.8-106.6 152.6 13.1 49.9 6.6 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.1 -2,-0.3 2,-0.4 -0.501 71.6 127.9 -79.8 80.6 16.7 50.2 5.6 31 31 A Q E -E 40 0B 10 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.963 45.3-159.0-141.9 110.6 15.9 52.9 3.0 32 32 A D E > -E 39 0B 2 7,-2.7 7,-1.5 -2,-0.4 3,-0.6 -0.892 10.1-178.8 -99.4 109.4 17.8 56.2 3.1 33 33 A N T 3 + 0 0 63 -2,-0.7 -1,-0.1 -11,-0.3 3,-0.1 0.385 68.9 78.5 -83.9 -11.6 15.9 58.9 1.3 34 34 A T T 3 S+ 0 0 86 1,-0.2 2,-0.5 5,-0.1 -1,-0.2 0.554 84.8 63.8 -76.9 -11.8 18.5 61.5 1.8 35 35 A R S X S- 0 0 47 -3,-0.6 3,-2.4 1,-0.1 -1,-0.2 -0.913 110.4 -63.9-123.2 109.3 20.9 60.4 -0.9 36 36 A G T 3 S- 0 0 26 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.218 111.9 -20.0 64.6-138.2 20.0 60.5 -4.6 37 37 A D T 3 S- 0 0 109 60,-1.9 -1,-0.3 1,-0.3 62,-0.2 0.283 120.4 -77.8 -90.8 15.4 17.1 58.2 -5.5 38 38 A G < - 0 0 2 -3,-2.4 62,-2.4 60,-0.2 2,-0.4 -0.146 29.1-109.2 116.9 155.0 17.8 56.2 -2.3 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.7 60,-0.2 2,-0.4 -0.995 36.5-170.9-119.3 127.6 20.0 53.7 -0.6 40 40 A F E -Ef 31 101B 21 60,-2.8 62,-2.2 -2,-0.4 2,-0.4 -0.993 8.2-163.0-129.8 123.0 18.2 50.3 -0.1 41 41 A T E - f 0 102B 0 -11,-2.1 14,-3.1 -2,-0.4 2,-0.3 -0.915 11.8-167.7-117.0 126.8 19.6 47.4 2.0 42 42 A Y E -Gf 54 103B 28 60,-2.9 62,-2.4 -2,-0.4 2,-0.6 -0.885 20.8-127.4-114.5 159.7 18.1 43.9 1.6 43 43 A D E -Gf 53 104B 19 10,-3.0 10,-2.1 -2,-0.3 62,-0.2 -0.907 13.1-172.0-106.4 119.6 18.3 40.6 3.5 44 44 A A > - 0 0 2 60,-3.1 3,-2.7 -2,-0.6 63,-0.3 0.463 30.0-141.9 -87.3 -9.0 19.2 37.6 1.3 45 45 A K T 3 - 0 0 115 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.785 63.6 -56.1 62.5 38.7 18.5 35.3 4.3 46 46 A Y T 3 S+ 0 0 109 59,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.534 115.5 106.7 67.0 17.1 21.4 33.0 3.6 47 47 A R S < S- 0 0 166 -3,-2.7 60,-1.6 58,-0.3 -1,-0.3 -0.593 72.2-127.2-113.5-171.5 20.2 32.2 0.0 48 48 A T S S+ 0 0 80 -2,-0.2 2,-0.3 58,-0.2 -3,-0.1 0.346 71.9 112.1-118.6 6.4 21.4 33.2 -3.4 49 49 A T S S- 0 0 89 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.601 71.7-107.7 -81.1 123.5 18.2 34.6 -4.8 50 50 A L S S+ 0 0 58 -2,-0.3 -2,-0.1 1,-0.1 71,-0.0 -0.953 80.9 3.1-109.4 148.9 18.7 38.4 -5.2 51 51 A P S S- 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.975 78.6-168.2 -87.0 -12.4 17.9 40.8 -4.0 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.781 49.8 -27.7 95.6-151.6 16.0 39.1 -1.2 53 53 A S E -G 43 0B 46 -10,-2.1 -10,-3.0 -2,-0.3 -8,-0.1 -0.839 65.1-103.9-110.9 143.3 13.7 41.3 1.0 54 54 A L E -G 42 0B 34 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.336 55.9 -97.9 -57.0 129.5 14.0 45.0 1.8 55 55 A W - 0 0 10 -14,-3.1 -25,-2.0 -25,-0.3 2,-0.4 -0.415 47.8-171.9 -64.7 126.6 15.3 45.0 5.3 56 56 A A E -D 29 0A 46 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.941 7.1-178.2-118.5 141.3 12.5 45.5 7.8 57 57 A D E -D 28 0A 21 -29,-2.8 -29,-3.5 -2,-0.4 5,-0.1 -0.985 22.9-142.5-140.1 141.7 12.8 46.1 11.5 58 58 A A S S+ 0 0 76 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.812 94.0 20.6 -78.2 -31.2 10.1 46.6 14.2 59 59 A D S S- 0 0 88 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.337 96.5-114.1-125.3 8.6 11.6 49.2 16.5 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.6 -32,-0.2 2,-0.4 0.700 80.6 114.2 74.1 21.4 14.3 51.0 14.5 61 61 A Q E -b 9 0A 97 -53,-0.2 2,-0.5 -51,-0.0 -2,-0.3 -0.986 47.1-166.4-123.0 124.4 17.2 49.7 16.7 62 62 A F E +b 10 0A 0 -53,-3.2 -51,-2.2 -2,-0.4 9,-0.1 -0.541 41.9 125.7-119.9 68.6 19.6 47.4 15.0 63 63 A F + 0 0 50 -2,-0.5 -1,-0.2 -53,-0.2 2,-0.1 0.461 37.2 107.3-107.7 4.8 21.6 45.8 17.7 64 64 A A S >> S- 0 0 53 -3,-0.2 4,-1.0 1,-0.1 3,-0.9 -0.405 77.1-122.0 -78.8 155.3 21.2 42.1 17.0 65 65 A S G >4 S+ 0 0 118 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.934 114.6 59.1 -68.0 -28.5 24.2 40.3 15.6 66 66 A Y G 34 S+ 0 0 70 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.785 103.9 53.3 -63.4 -28.9 22.2 39.3 12.6 67 67 A D G X> S+ 0 0 18 -3,-0.9 4,-2.3 1,-0.2 3,-0.7 0.708 86.0 85.7 -77.2 -21.3 21.6 43.1 11.9 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.840 112.9 49.9 -67.1 -33.6 26.2 43.4 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.3 5,-0.3 0.865 107.0 54.3 -72.5 -41.9 23.1 45.3 7.1 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 -60,-0.2 5,-0.2 0.960 114.2 41.8 -50.7 -51.5 23.9 48.3 9.3 72 72 A D H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 5,-0.4 0.901 112.3 51.1 -71.6 -34.0 27.4 48.6 7.8 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.916 116.1 44.2 -67.0 -38.0 26.4 47.9 4.2 74 74 A H H X S+ 0 0 4 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.941 117.9 42.9 -69.0 -49.9 23.8 50.6 4.5 75 75 A Y H X S+ 0 0 92 -4,-2.9 4,-1.9 -5,-0.3 -2,-0.2 0.937 115.5 46.7 -63.2 -49.7 26.0 53.1 6.3 76 76 A Y H X S+ 0 0 4 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.847 106.0 58.4 -71.7 -25.6 29.1 52.6 4.2 77 77 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.4 -1,-0.2 0.928 107.9 50.1 -64.5 -33.8 27.2 52.9 1.0 78 78 A G H X S+ 0 0 1 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.912 109.2 48.9 -68.1 -41.2 26.1 56.3 2.3 79 79 A V H X S+ 0 0 18 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.917 112.0 49.7 -67.6 -35.0 29.7 57.4 3.1 80 80 A T H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.927 109.8 50.6 -71.1 -41.1 30.8 56.2 -0.4 81 81 A Y H X S+ 0 0 18 -4,-2.6 4,-2.1 1,-0.2 11,-0.2 0.907 110.6 50.3 -57.2 -46.8 28.0 58.2 -2.0 82 82 A D H X S+ 0 0 34 -4,-2.4 4,-3.2 2,-0.2 5,-0.4 0.905 107.5 53.9 -62.5 -37.2 29.0 61.3 -0.0 83 83 A Y H X>S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 5,-0.8 0.971 111.5 42.8 -63.6 -49.6 32.7 60.9 -1.1 84 84 A Y H X5S+ 0 0 8 -4,-2.3 6,-2.1 3,-0.2 4,-1.2 0.901 119.2 45.4 -64.7 -36.0 31.9 60.9 -4.8 85 85 A K H X5S+ 0 0 76 -4,-2.1 4,-1.2 4,-0.3 -2,-0.2 0.961 120.8 35.8 -70.2 -57.3 29.4 63.7 -4.4 86 86 A N H <5S+ 0 0 82 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.779 128.5 32.5 -66.7 -39.5 31.4 66.0 -2.2 87 87 A V H <5S+ 0 0 33 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.2 0.853 136.2 18.2 -91.0 -35.4 34.9 65.3 -3.7 88 88 A H H < S- 0 0 7 -2,-0.9 3,-0.7 -11,-0.2 7,-0.1 0.041 91.5 -59.2 65.5 179.8 25.7 58.1 -7.6 93 93 A Y T 3 S+ 0 0 26 5,-0.3 -1,-0.2 1,-0.2 58,-0.2 0.841 136.5 45.1 -69.7 -29.5 27.5 55.6 -9.9 94 94 A D T 3 S- 0 0 52 -3,-0.1 -1,-0.2 4,-0.1 -2,-0.2 0.519 110.1-117.1 -90.4 -2.2 25.7 56.5 -13.1 95 95 A G S < S+ 0 0 30 -3,-0.7 -4,-0.2 -4,-0.5 -3,-0.2 0.491 101.5 79.1 81.5 3.5 26.1 60.3 -12.5 96 96 A N S S- 0 0 127 -5,-0.1 -4,-0.2 -6,-0.1 -3,-0.1 -0.118 113.8 -91.9-134.3 35.0 22.3 60.8 -12.3 97 97 A N - 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0 0 89 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.1 -0.842 29.9-126.6 -86.5 118.7 58.0 63.1 -4.7 257 257 A G - 0 0 31 -2,-0.6 -12,-0.3 -11,-0.4 -11,-0.2 -0.384 20.9-168.7 -70.7 142.3 54.5 62.5 -3.4 258 258 A I - 0 0 25 -14,-2.9 4,-0.4 1,-0.2 -13,-0.2 0.409 46.3-107.0-111.4 0.3 51.8 65.0 -4.3 259 259 A G > - 0 0 26 -14,-1.8 4,-2.1 -15,-0.3 -1,-0.2 0.072 29.2 -78.0 96.7 165.6 49.1 63.8 -1.8 260 260 A R H > S+ 0 0 107 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.781 120.9 57.7 -72.7 -34.8 45.8 61.8 -1.8 261 261 A D H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.948 110.6 42.2 -65.2 -46.3 43.6 64.7 -3.0 262 262 A K H > S+ 0 0 66 -4,-0.4 4,-2.6 2,-0.2 5,-0.2 0.918 113.3 54.4 -67.4 -37.5 45.7 65.2 -6.2 263 263 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.951 109.8 46.5 -57.9 -51.3 45.9 61.4 -6.7 264 264 A G H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.896 113.6 49.6 -58.5 -45.5 42.1 61.1 -6.5 265 265 A K H X S+ 0 0 71 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.892 112.1 46.8 -61.1 -41.4 41.7 64.1 -8.9 266 266 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.934 116.7 42.2 -68.7 -42.0 44.1 62.7 -11.5 267 267 A F H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.843 111.9 55.7 -76.9 -30.7 42.7 59.2 -11.5 268 268 A Y H X S+ 0 0 33 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.942 111.2 44.2 -65.0 -38.8 39.1 60.5 -11.4 269 269 A R H X>S+ 0 0 76 -4,-1.9 4,-2.6 -5,-0.2 5,-0.6 0.894 113.8 49.7 -69.3 -41.9 39.8 62.5 -14.6 270 270 A A H X>S+ 0 0 0 -4,-2.1 4,-2.1 3,-0.2 5,-2.0 0.959 112.9 48.4 -63.8 -43.4 41.6 59.7 -16.3 271 271 A L H <5S+ 0 0 1 -4,-2.7 -118,-0.2 1,-0.2 -2,-0.2 0.882 121.4 33.1 -62.3 -44.9 38.8 57.3 -15.5 272 272 A T H <5S+ 0 0 41 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.688 130.4 28.4 -92.3 -16.6 36.0 59.5 -16.7 273 273 A Q H <5S+ 0 0 115 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.687 128.4 19.1-115.2 -27.5 37.7 61.4 -19.6 274 274 A Y T < - 0 0 61 -2,-0.1 3,-1.8 -122,-0.1 -120,-0.1 -0.815 39.7 -90.7-121.6 168.4 38.3 53.1 -22.8 277 277 A P T 3 S+ 0 0 65 0, 0.0 -121,-2.4 0, 0.0 -123,-0.1 0.798 124.1 37.8 -52.3 -36.2 37.1 49.5 -22.4 278 278 A T T 3 S+ 0 0 98 -123,-0.2 -117,-0.1 -117,-0.0 -118,-0.1 0.107 80.8 144.6-107.4 24.6 40.3 48.0 -23.7 279 279 A S < - 0 0 2 -3,-1.8 -115,-0.2 -126,-0.1 2,-0.2 -0.317 32.4-156.3 -61.0 143.3 42.9 50.3 -22.2 280 280 A N > - 0 0 61 -120,-0.1 4,-2.1 -119,-0.1 5,-0.2 -0.528 36.8 -87.2-109.3-174.5 46.2 48.7 -21.2 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.878 126.8 53.8 -59.0 -41.1 48.8 49.9 -18.6 282 282 A S H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 109.5 47.8 -60.1 -41.2 50.7 52.0 -21.2 283 283 A Q H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.872 108.2 56.3 -68.2 -33.0 47.4 53.8 -22.1 284 284 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.923 105.1 51.6 -64.4 -45.9 46.7 54.3 -18.4 285 285 A R H X S+ 0 0 34 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.956 111.7 46.8 -53.3 -52.0 50.1 56.1 -18.0 286 286 A A H X S+ 0 0 60 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.913 112.9 49.3 -58.1 -41.5 49.2 58.4 -20.9 287 287 A A H X S+ 0 0 7 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.909 113.0 46.4 -60.5 -47.0 45.8 59.1 -19.5 288 288 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.897 113.8 48.9 -68.5 -39.2 47.2 59.9 -16.1 289 289 A V H X S+ 0 0 24 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.938 114.4 45.1 -62.8 -47.2 49.9 62.1 -17.6 290 290 A Q H X S+ 0 0 88 -4,-3.1 4,-2.8 -5,-0.3 -2,-0.2 0.916 111.6 53.2 -63.2 -39.2 47.4 63.9 -19.7 291 291 A S H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.923 111.4 45.0 -62.3 -41.7 45.0 64.2 -16.8 292 292 A A H X>S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.6 0.861 112.2 53.0 -68.8 -35.4 47.6 65.8 -14.6 293 293 A T H X5S+ 0 0 36 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.946 108.4 50.4 -60.1 -46.6 48.7 68.1 -17.5 294 294 A D H <5S+ 0 0 59 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.855 120.3 35.4 -55.5 -49.3 45.1 69.2 -17.9 295 295 A L H <5S+ 0 0 71 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.801 134.7 15.4 -79.7 -40.4 44.8 70.0 -14.2 296 296 A Y H <5S- 0 0 63 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.505 107.4 -99.8-117.0 -13.1 48.2 71.3 -13.1 297 297 A G ><< - 0 0 30 -4,-1.8 3,-1.4 -5,-0.6 6,-0.4 0.052 35.0 -84.7 106.4 152.1 50.1 72.2 -16.3 298 298 A S T 3 S+ 0 0 85 1,-0.2 -1,-0.1 -5,-0.1 -5,-0.1 0.756 123.7 44.9 -68.8 -20.1 52.8 70.3 -18.3 299 299 A T T 3 S+ 0 0 141 -3,-0.1 -1,-0.2 -6,-0.1 -2,-0.1 0.181 88.6 123.7-106.6 22.4 55.8 71.5 -16.4 300 300 A S S <> S- 0 0 18 -3,-1.4 4,-1.8 1,-0.1 5,-0.1 -0.328 73.1-121.4 -81.9 159.1 54.3 70.9 -12.9 301 301 A Q H > S+ 0 0 101 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.867 112.9 63.4 -57.1 -39.5 55.7 68.7 -10.2 302 302 A E H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 104.8 42.4 -56.7 -50.1 52.4 66.7 -10.4 303 303 A V H > S+ 0 0 5 -6,-0.4 4,-2.5 -11,-0.2 5,-0.3 0.911 113.8 54.3 -59.9 -44.5 53.0 65.6 -14.0 304 304 A A H X S+ 0 0 40 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.919 109.2 46.7 -55.5 -46.1 56.7 64.9 -13.0 305 305 A S H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.881 109.2 54.6 -70.8 -37.4 55.6 62.6 -10.2 306 306 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.942 113.0 42.5 -56.4 -51.6 53.0 60.8 -12.3 307 307 A K H X S+ 0 0 92 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.940 114.2 51.3 -60.8 -42.0 55.8 60.0 -14.9 308 308 A Q H X S+ 0 0 75 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.890 109.2 50.9 -62.2 -41.2 58.3 59.1 -12.2 309 309 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.929 112.0 45.5 -66.4 -41.1 55.9 56.7 -10.5 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 4,-0.5 0.910 112.3 53.1 -68.1 -35.2 55.1 54.9 -13.8 311 311 A D H ><5S+ 0 0 43 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.937 104.8 55.4 -60.4 -45.9 58.8 54.8 -14.5 312 312 A A H 3<5S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.816 110.5 44.5 -58.9 -33.9 59.4 53.2 -11.1 313 313 A V T 3<5S- 0 0 0 -4,-1.5 -96,-3.2 -3,-0.2 -1,-0.3 0.418 118.2-110.2 -95.9 7.5 57.0 50.4 -11.8 314 314 A G T < 5S+ 0 0 16 -3,-1.6 2,-0.6 -4,-0.5 -3,-0.2 0.732 71.8 135.8 87.3 17.3 58.3 49.8 -15.3 315 315 A V < 0 0 4 -5,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.908 360.0 360.0-103.9 114.0 55.3 51.0 -17.3 316 316 A K 0 0 151 -2,-0.6 -1,-0.2 -3,-0.1 -5,-0.1 0.714 360.0 360.0-111.3 360.0 56.3 53.3 -20.2