==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(METALLOPROTEINASE) 04-MAY-94 1HYT . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR A.C.HAUSRATH,B.W.MATTHEWS . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 71.2 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 . 106 33.5 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 79 0, 0.0 2,-0.6 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 148.1 8.3 52.0 -0.1 2 2 A T + 0 0 136 23,-0.1 2,-0.3 21,-0.1 21,-0.0 -0.928 360.0 96.1-111.9 122.0 6.2 55.2 0.6 3 3 A G - 0 0 38 -2,-0.6 2,-0.5 22,-0.0 22,-0.2 -0.888 69.1 -44.7-171.6-158.8 6.4 56.5 4.2 4 4 A T E -A 24 0A 93 20,-2.2 20,-3.5 -2,-0.3 2,-0.2 -0.844 48.7-121.5-102.2 130.8 7.9 58.8 6.7 5 5 A S E +A 23 0A 69 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.468 45.3 154.0 -68.1 136.8 11.6 59.5 6.9 6 6 A T E -A 22 0A 52 16,-2.6 16,-2.3 -2,-0.2 2,-0.5 -0.833 38.8-110.8-151.7 179.3 13.1 58.7 10.3 7 7 A V E -A 21 0A 76 -2,-0.2 14,-0.2 14,-0.2 2,-0.1 -0.983 28.1-175.2-125.1 130.8 16.3 57.7 12.1 8 8 A G E -A 20 0A 3 12,-3.6 12,-2.3 -2,-0.5 2,-0.4 -0.441 15.0-132.1-113.5 179.2 17.0 54.4 13.7 9 9 A V E +Ab 19 61A 30 51,-1.8 53,-3.3 10,-0.3 2,-0.3 -0.993 31.6 142.4-136.5 141.5 19.8 53.1 15.8 10 10 A G E -Ab 18 62A 0 8,-2.4 8,-2.9 -2,-0.4 2,-0.4 -0.951 41.3 -98.9-155.9-169.6 21.8 49.9 15.7 11 11 A R E -A 17 0A 113 51,-2.0 6,-0.2 -2,-0.3 60,-0.2 -0.966 32.2-141.6-124.3 136.6 25.1 48.2 16.0 12 12 A G > - 0 0 5 4,-2.9 3,-2.7 -2,-0.4 56,-0.2 -0.142 38.1 -81.1 -91.4-175.9 27.4 47.2 13.2 13 13 A V T 3 S+ 0 0 29 55,-0.6 122,-0.1 1,-0.3 55,-0.1 0.832 129.3 48.7 -53.2 -40.2 29.6 44.1 12.5 14 14 A L T 3 S- 0 0 77 54,-0.1 -1,-0.3 121,-0.1 -2,-0.0 0.316 122.5-104.2 -86.5 7.3 32.4 45.4 14.7 15 15 A G S < S+ 0 0 48 -3,-2.7 2,-0.3 1,-0.3 -2,-0.1 0.565 74.0 139.8 89.2 3.4 30.0 46.1 17.6 16 16 A D - 0 0 45 1,-0.0 -4,-2.9 -5,-0.0 2,-0.4 -0.616 49.1-125.8 -85.7 146.0 29.9 49.9 17.1 17 17 A Q E +A 11 0A 130 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.715 35.6 164.0 -92.2 139.8 26.7 51.8 17.5 18 18 A K E -A 10 0A 14 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.3 -0.984 35.0-117.5-146.7 163.1 25.5 54.1 14.8 19 19 A N E -A 9 0A 110 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.745 32.2-166.1 -97.4 143.6 22.4 55.9 13.7 20 20 A I E -A 8 0A 3 -12,-2.3 -12,-3.6 -2,-0.3 2,-0.5 -0.972 24.0-110.9-131.0 155.5 20.9 55.0 10.3 21 21 A N E +A 7 0A 41 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.668 45.1 169.4 -83.6 120.0 18.3 56.6 8.0 22 22 A T E -A 6 0A 2 -16,-2.3 -16,-2.6 -2,-0.5 2,-0.4 -0.671 29.1-128.3-127.2 173.0 15.1 54.5 7.8 23 23 A T E -AC 5 29A 0 6,-1.6 6,-3.0 -18,-0.2 2,-0.5 -1.000 18.5-142.0-127.9 134.7 11.6 54.9 6.4 24 24 A Y E +AC 4 28A 101 -20,-3.5 -20,-2.2 -2,-0.4 4,-0.2 -0.819 40.4 137.0-104.5 125.8 8.5 54.2 8.5 25 25 A S S S- 0 0 44 2,-3.1 2,-2.9 -2,-0.5 -23,-0.1 -0.588 93.1 -51.1-162.5 79.3 5.4 52.6 7.0 26 26 A T S S+ 0 0 114 -2,-0.1 2,-0.2 32,-0.0 -2,-0.0 -0.369 140.2 38.7 76.7 -61.0 3.9 50.0 9.4 27 27 A Y S S- 0 0 116 -2,-2.9 -2,-3.1 32,-0.0 2,-0.5 -0.676 94.9-113.4-102.4 169.4 7.4 48.6 9.6 28 28 A Y E -CD 24 57A 54 29,-3.2 29,-3.0 -2,-0.2 2,-0.3 -0.908 39.2-159.9 -99.2 127.2 10.7 50.5 9.7 29 29 A Y E -CD 23 56A 43 -6,-3.0 2,-2.2 -2,-0.5 -6,-1.6 -0.804 28.2-115.6-108.4 152.4 12.6 49.9 6.5 30 30 A L S S+ 0 0 0 25,-2.3 11,-2.1 11,-0.3 2,-0.4 -0.541 71.7 128.4 -81.5 77.2 16.3 50.3 5.6 31 31 A Q E -E 40 0B 9 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.969 45.3-158.4-137.7 115.3 15.5 52.9 3.1 32 32 A D E > +E 39 0B 2 7,-2.9 7,-1.4 -2,-0.4 3,-0.5 -0.895 12.1 178.6-101.8 108.8 17.4 56.2 3.2 33 33 A N T 3 + 0 0 57 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.496 67.2 79.8 -87.3 -4.8 15.5 58.9 1.5 34 34 A T T 3 S+ 0 0 85 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.575 84.0 64.6 -79.7 -8.7 18.0 61.6 2.3 35 35 A R S X S- 0 0 46 -3,-0.5 3,-2.4 4,-0.1 -1,-0.1 -0.915 110.6 -64.7-125.7 114.1 20.5 60.7 -0.4 36 36 A G T 3 S- 0 0 28 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.248 113.9 -19.0 52.0-138.5 19.7 61.0 -4.1 37 37 A D T 3 S- 0 0 111 60,-1.7 -1,-0.3 1,-0.3 62,-0.2 0.259 119.3 -82.9 -84.6 12.5 16.9 58.6 -5.1 38 38 A G < - 0 0 2 -3,-2.4 62,-2.4 60,-0.1 2,-0.4 -0.105 28.4-107.2 112.7 154.8 17.5 56.6 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.4 -7,-2.9 60,-0.2 2,-0.4 -0.993 35.5-170.1-119.2 128.7 19.7 53.9 -0.5 40 40 A F E -Ef 31 101B 22 60,-2.7 62,-2.1 -2,-0.4 2,-0.4 -0.991 8.1-162.7-127.3 128.9 18.0 50.5 0.0 41 41 A T E - f 0 102B 0 -11,-2.1 14,-3.0 -2,-0.4 -11,-0.3 -0.940 12.1-164.8-119.5 131.6 19.3 47.5 1.9 42 42 A Y E -Gf 54 103B 28 60,-2.7 62,-2.5 -2,-0.4 2,-0.6 -0.817 20.8-126.9-117.4 153.3 17.8 44.0 1.4 43 43 A D E -Gf 53 104B 22 10,-3.0 10,-2.2 -2,-0.3 62,-0.2 -0.909 14.5-173.0 -97.2 118.5 17.9 40.7 3.2 44 44 A A > - 0 0 4 60,-2.9 3,-2.5 -2,-0.6 5,-0.3 0.497 29.4-142.7 -88.9 -2.9 19.0 37.8 0.9 45 45 A K T 3 - 0 0 110 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.764 63.2 -58.7 52.7 36.1 18.1 35.3 3.8 46 46 A Y T 3 S+ 0 0 106 59,-2.7 -1,-0.3 1,-0.3 60,-0.2 0.531 114.6 112.9 70.7 13.2 21.1 33.0 3.0 47 47 A R < - 0 0 174 -3,-2.5 60,-2.5 58,-0.3 -1,-0.3 -0.450 69.5-130.8-105.6 178.7 19.8 32.5 -0.5 48 48 A T S S+ 0 0 84 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.335 71.3 109.0-113.9 5.1 21.3 33.6 -3.9 49 49 A T S S- 0 0 96 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.659 71.8 -96.2 -82.0 138.1 18.3 35.1 -5.4 50 50 A L S S- 0 0 58 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.879 80.1 -5.4-124.9 150.5 18.5 38.8 -5.6 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.993 78.4-167.1 -85.7 -12.3 17.8 41.3 -4.3 52 52 A G - 0 0 36 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.772 46.0 -23.1 101.3-153.1 15.8 39.6 -1.7 53 53 A S E -G 43 0B 50 -10,-2.2 -10,-3.0 -2,-0.3 -8,-0.1 -0.853 66.9-108.5-101.6 135.0 13.3 41.5 0.7 54 54 A L E -G 42 0B 34 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.3 -0.366 53.6 -94.1 -60.0 135.5 13.7 45.1 1.5 55 55 A W - 0 0 10 -14,-3.0 -25,-2.3 -25,-0.3 2,-0.4 -0.355 50.0-174.2 -64.0 123.8 14.9 45.2 5.0 56 56 A A E +D 29 0A 47 -2,-0.4 2,-0.3 -27,-0.2 -27,-0.2 -0.854 6.3 179.4-120.1 138.7 12.0 45.5 7.5 57 57 A D E -D 28 0A 21 -29,-3.0 -29,-3.2 -2,-0.4 5,-0.1 -0.990 24.3-141.7-139.2 144.2 12.2 46.0 11.3 58 58 A A S S+ 0 0 73 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.791 93.6 22.8 -77.2 -32.5 9.5 46.4 13.8 59 59 A D S S- 0 0 91 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.389 95.4-113.6-124.3 10.0 10.9 48.9 16.2 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.8 -32,-0.2 2,-0.5 0.667 82.7 113.1 68.2 16.0 13.6 50.9 14.5 61 61 A Q E -b 9 0A 105 -53,-0.2 2,-0.4 -51,-0.0 -2,-0.3 -0.976 46.8-168.8-122.4 129.8 16.3 49.4 16.7 62 62 A F E +b 10 0A 0 -53,-3.3 -51,-2.0 -2,-0.5 9,-0.1 -0.535 40.2 125.1-123.5 67.8 18.9 47.1 15.1 63 63 A F + 0 0 58 -2,-0.4 2,-0.2 -53,-0.2 -1,-0.1 0.334 39.7 110.8-104.4 1.4 20.8 45.4 17.8 64 64 A A S >> S- 0 0 50 -3,-0.2 3,-1.2 1,-0.1 4,-0.9 -0.489 74.5-124.6 -74.4 149.3 20.3 41.8 16.8 65 65 A S G >4 S+ 0 0 112 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.888 113.3 58.7 -66.3 -28.7 23.3 40.0 15.5 66 66 A Y G 34 S+ 0 0 72 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.785 104.0 55.3 -63.7 -25.6 21.4 39.1 12.3 67 67 A D G X> S+ 0 0 16 -3,-1.2 4,-2.1 1,-0.2 3,-0.9 0.740 84.1 87.2 -75.2 -27.9 21.0 43.0 11.8 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.841 113.0 50.9 -67.5 -30.7 25.7 43.4 8.4 70 70 A A H <> S+ 0 0 0 -3,-0.9 4,-2.4 -4,-0.3 5,-0.2 0.896 107.4 53.4 -70.6 -42.1 22.6 45.3 7.2 71 71 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 -60,-0.2 5,-0.2 0.950 114.4 41.8 -54.0 -49.0 23.3 48.2 9.5 72 72 A D H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.4 0.904 112.6 50.9 -70.7 -41.0 26.9 48.6 8.1 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.923 116.3 44.0 -60.0 -40.0 26.0 48.0 4.4 74 74 A H H X S+ 0 0 3 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.946 117.9 43.0 -69.5 -49.6 23.3 50.7 4.8 75 75 A Y H X S+ 0 0 92 -4,-2.9 4,-2.1 -5,-0.2 3,-0.2 0.930 115.0 48.7 -62.3 -47.4 25.5 53.2 6.8 76 76 A Y H X S+ 0 0 2 -4,-3.0 4,-2.3 1,-0.3 -1,-0.2 0.836 106.2 56.1 -70.8 -27.7 28.6 52.7 4.7 77 77 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.4 -1,-0.3 0.918 106.8 51.3 -66.4 -39.1 26.8 53.2 1.4 78 78 A G H X S+ 0 0 1 -4,-1.5 4,-2.8 -3,-0.2 -2,-0.2 0.943 110.6 48.6 -60.2 -49.3 25.6 56.6 2.8 79 79 A V H X S+ 0 0 15 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.887 110.9 49.8 -52.7 -49.1 29.1 57.6 3.7 80 80 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.888 109.6 51.1 -59.5 -41.8 30.4 56.6 0.3 81 81 A Y H X S+ 0 0 13 -4,-2.1 4,-2.2 1,-0.2 11,-0.2 0.939 110.8 50.3 -61.6 -40.4 27.6 58.6 -1.4 82 82 A D H X S+ 0 0 40 -4,-2.8 4,-3.2 1,-0.2 5,-0.4 0.896 106.6 53.5 -64.8 -43.5 28.6 61.5 0.7 83 83 A Y H X>S+ 0 0 11 -4,-2.3 4,-2.8 1,-0.2 5,-0.7 0.957 111.6 45.7 -55.0 -54.0 32.3 61.2 -0.3 84 84 A Y H X5S+ 0 0 6 -4,-2.3 6,-2.8 3,-0.2 4,-1.0 0.870 117.6 42.9 -59.9 -38.8 31.4 61.3 -4.0 85 85 A K H X5S+ 0 0 96 -4,-2.2 4,-1.0 4,-0.3 -2,-0.2 0.961 121.2 37.9 -72.7 -51.0 29.0 64.1 -3.7 86 86 A N H <5S+ 0 0 91 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.829 127.1 32.6 -68.5 -43.4 31.1 66.3 -1.4 87 87 A V H <5S+ 0 0 52 -4,-2.8 -3,-0.2 -5,-0.4 -1,-0.2 0.824 135.4 18.2 -84.5 -41.6 34.4 65.6 -2.8 88 88 A H H < - 0 0 62 -2,-0.5 6,-2.9 4,-0.2 4,-0.6 -0.819 65.1 -45.8 -95.8 102.6 25.6 62.4 -7.6 92 92 A S T >4 S- 0 0 5 -2,-0.9 3,-0.8 -11,-0.2 5,-0.1 0.064 92.9 -55.5 64.5-172.2 25.5 58.7 -6.9 93 93 A Y T 34 S+ 0 0 19 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.815 138.3 45.5 -75.0 -22.2 27.3 56.2 -9.2 94 94 A D T 34 S- 0 0 46 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.502 108.4-118.3 -97.8 -0.4 25.7 57.3 -12.4 95 95 A G S << S+ 0 0 34 -3,-0.8 -4,-0.2 -4,-0.6 -3,-0.2 0.485 102.3 80.6 79.1 3.4 26.1 61.0 -11.7 96 96 A N S S- 0 0 122 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 0.031 113.3 -96.3-131.0 30.5 22.3 61.3 -11.8 97 97 A N - 0 0 36 -6,-2.9 -60,-1.7 1,-0.1 -5,-0.2 0.756 54.2-174.9 63.0 28.8 21.4 60.2 -8.3 98 98 A A - 0 0 17 -7,-0.5 -5,-0.3 -62,-0.1 -1,-0.1 -0.186 35.3 -96.2 -50.3 141.2 20.6 56.5 -9.1 99 99 A A - 0 0 17 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.349 35.9-135.7 -62.5 142.2 19.2 54.5 -6.2 100 100 A I E -f 39 0B 2 -62,-2.4 -60,-2.7 -3,-0.1 2,-0.4 -0.887 24.3-173.6-106.1 119.2 21.8 52.5 -4.4 101 101 A R E +f 40 0B 88 -2,-0.6 19,-2.7 17,-0.3 2,-0.3 -0.971 8.4 173.9-119.7 143.3 21.0 48.9 -3.5 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-2.7 -2,-0.4 2,-0.4 -0.997 14.5-153.7-140.2 148.2 22.7 46.3 -1.5 103 103 A S E -fh 42 121B 0 17,-1.9 19,-2.1 -2,-0.3 2,-0.2 -0.947 12.0-166.4-119.0 143.0 21.9 42.9 -0.3 104 104 A V E +f 43 0B 0 -62,-2.5 -60,-2.9 -2,-0.4 -59,-0.3 -0.694 64.3 41.7-118.9 171.5 23.3 41.2 2.8 105 105 A H S S+ 0 0 7 17,-0.4 -59,-2.7 -2,-0.2 2,-0.4 0.880 74.5 177.5 58.3 39.6 23.3 37.6 4.1 106 106 A Y - 0 0 34 16,-1.7 18,-0.5 -3,-0.2 4,-0.4 -0.630 49.9 -33.8 -77.8 121.7 23.9 36.4 0.6 107 107 A S S S- 0 0 30 -60,-2.5 2,-0.5 -2,-0.4 -60,-0.1 -0.009 92.5 -60.7 59.8-164.9 24.3 32.6 0.4 108 108 A Q S S- 0 0 155 1,-0.1 3,-0.1 15,-0.1 18,-0.1 -0.986 109.4 -12.1-121.3 130.6 25.9 30.6 3.3 109 109 A G S S+ 0 0 40 -2,-0.5 2,-0.6 16,-0.4 17,-0.2 0.803 84.1 173.8 53.6 36.9 29.5 31.1 4.4 110 110 A Y - 0 0 67 -4,-0.4 15,-2.0 15,-0.3 2,-1.1 -0.610 22.0-159.6 -84.8 117.0 30.2 33.2 1.4 111 111 A N + 0 0 54 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.1 -0.329 60.2 59.6 -91.7 54.0 33.6 34.8 1.5 112 112 A N - 0 0 87 -2,-1.1 11,-2.6 2,-0.0 2,-0.3 -0.979 55.0-150.7-164.2 174.4 33.2 37.6 -0.9 113 113 A A E +I 122 0B 4 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.952 24.7 167.2-147.6 154.7 31.3 40.8 -1.9 114 114 A F E -I 121 0B 52 7,-2.3 7,-2.3 -2,-0.3 2,-0.5 -0.996 38.7-116.8-166.1 165.2 30.7 42.2 -5.3 115 115 A W E -I 120 0B 29 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.964 24.0-165.1-107.1 120.6 28.9 44.6 -7.7 116 116 A N - 0 0 69 3,-2.5 4,-0.1 -2,-0.5 -1,-0.1 0.210 54.0 -91.2 -98.6 17.2 26.8 42.7 -10.1 117 117 A G S S+ 0 0 37 2,-0.2 3,-0.1 1,-0.0 -2,-0.0 0.214 123.8 41.2 94.2 -14.4 26.2 45.5 -12.6 118 118 A S S S- 0 0 83 1,-0.5 2,-0.3 -17,-0.0 -17,-0.3 0.541 120.3 -3.5-133.2 -28.1 22.9 46.5 -10.8 119 119 A E - 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0 0 83 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.764 29.0-123.7 -86.2 129.6 57.8 63.2 -3.6 257 257 A G - 0 0 30 -2,-0.6 -12,-0.2 -11,-0.5 -11,-0.2 -0.363 22.6-171.7 -69.9 145.9 54.3 62.7 -2.1 258 258 A I - 0 0 25 -14,-3.0 4,-0.4 1,-0.2 -13,-0.2 0.406 46.7-108.8-115.3 -1.8 51.5 65.2 -3.1 259 259 A G > - 0 0 26 -14,-1.7 4,-1.8 -15,-0.5 -1,-0.2 0.028 28.0 -76.1 98.0 163.0 48.9 64.0 -0.6 260 260 A R H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.819 119.9 56.5 -64.5 -45.9 45.6 62.1 -0.7 261 261 A D H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.933 111.0 42.4 -58.3 -46.7 43.3 64.9 -1.9 262 262 A K H > S+ 0 0 74 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.892 111.1 56.9 -68.8 -36.5 45.3 65.5 -5.0 263 263 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.953 109.7 45.9 -53.7 -51.7 45.7 61.8 -5.6 264 264 A G H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.902 112.4 50.7 -60.1 -41.3 41.9 61.5 -5.6 265 265 A K H X S+ 0 0 93 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.922 112.6 45.3 -66.8 -42.9 41.4 64.5 -7.9 266 266 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.920 115.9 45.0 -64.7 -46.7 43.8 63.3 -10.4 267 267 A F H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.878 112.0 51.7 -66.5 -38.2 42.5 59.7 -10.4 268 268 A Y H X S+ 0 0 31 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.896 111.3 48.5 -62.9 -42.4 38.9 60.8 -10.6 269 269 A R H X>S+ 0 0 69 -4,-1.9 4,-2.4 -5,-0.3 5,-0.6 0.935 111.6 48.6 -64.2 -43.4 39.6 63.0 -13.5 270 270 A A H X>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 4,-2.2 0.948 113.9 47.5 -60.2 -45.2 41.5 60.3 -15.3 271 271 A L H <5S+ 0 0 1 -4,-2.8 -118,-0.3 1,-0.2 -1,-0.2 0.897 119.4 36.4 -60.6 -45.3 38.7 57.9 -14.7 272 272 A T H <5S+ 0 0 40 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.702 130.9 25.8 -88.2 -21.2 35.9 60.1 -15.8 273 273 A Q H <5S+ 0 0 117 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.730 128.2 21.2-110.7 -32.5 37.6 61.9 -18.6 274 274 A Y T < - 0 0 62 -2,-0.1 3,-1.5 -122,-0.1 -120,-0.1 -0.769 40.7 -90.2-129.8 173.0 38.2 53.9 -21.9 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-3.0 0, 0.0 -123,-0.1 0.775 124.1 38.8 -57.6 -29.0 37.0 50.3 -21.6 278 278 A T T 3 S+ 0 0 100 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.184 80.4 141.3-109.8 16.6 40.3 48.9 -23.1 279 279 A S < - 0 0 5 -3,-1.5 -115,-0.2 -126,-0.1 2,-0.1 -0.325 34.6-155.4 -60.1 142.2 42.8 51.2 -21.5 280 280 A N > - 0 0 61 -119,-0.1 4,-2.4 -116,-0.1 5,-0.2 -0.444 35.6 -88.4-109.7-177.5 46.1 49.5 -20.5 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.895 127.3 52.8 -59.5 -42.1 48.7 50.5 -17.8 282 282 A S H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.921 110.4 47.8 -61.5 -36.8 50.6 52.6 -20.3 283 283 A Q H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.895 107.1 56.5 -71.2 -34.1 47.4 54.4 -21.2 284 284 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.906 104.8 52.7 -61.6 -40.3 46.6 54.9 -17.5 285 285 A R H X S+ 0 0 33 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.948 109.7 47.9 -61.5 -42.2 49.9 56.6 -17.0 286 286 A A H X S+ 0 0 61 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.912 112.7 50.5 -65.1 -34.6 49.2 59.0 -20.0 287 287 A A H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.914 109.7 47.9 -68.2 -45.4 45.8 59.7 -18.5 288 288 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.911 112.9 48.9 -67.2 -35.8 47.1 60.4 -15.1 289 289 A V H X S+ 0 0 26 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.944 111.4 49.2 -68.0 -43.4 49.7 62.7 -16.4 290 290 A Q H X S+ 0 0 86 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.908 111.5 50.6 -61.9 -39.4 47.2 64.6 -18.6 291 291 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.877 110.6 46.4 -62.5 -48.6 44.8 64.9 -15.7 292 292 A A H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.4 0.872 113.0 52.6 -61.9 -38.5 47.5 66.3 -13.4 293 293 A T H X S+ 0 0 37 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.940 109.2 48.9 -60.0 -50.5 48.5 68.7 -16.3 294 294 A D H < S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.862 120.6 37.3 -52.5 -46.2 44.9 69.8 -16.7 295 295 A L H < S+ 0 0 67 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.780 134.4 12.7 -80.8 -36.5 44.7 70.5 -13.0 296 296 A Y H < S- 0 0 63 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.444 106.0 -94.0-127.9 -4.5 48.0 71.8 -12.0 297 297 A G >< - 0 0 30 -4,-2.2 3,-2.2 -5,-0.4 6,-0.4 0.303 33.4 -93.1 99.1 139.8 50.0 72.7 -15.0 298 298 A S T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.706 123.8 49.8 -61.8 -20.2 52.6 70.8 -17.0 299 299 A T T 3 S+ 0 0 138 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.313 88.5 123.0-102.8 11.2 55.5 72.2 -15.0 300 300 A S S <> S- 0 0 16 -3,-2.2 4,-2.0 1,-0.1 5,-0.1 -0.270 71.3-127.3 -68.5 156.1 53.9 71.3 -11.7 301 301 A Q H > S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.812 111.6 63.6 -65.0 -33.5 55.4 69.1 -9.0 302 302 A E H > S+ 0 0 27 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.927 104.0 44.0 -59.5 -46.0 52.1 67.3 -9.2 303 303 A V H > S+ 0 0 8 -6,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.911 111.4 54.8 -64.8 -38.2 52.9 66.3 -12.7 304 304 A A H X S+ 0 0 40 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.929 108.0 49.0 -62.4 -43.8 56.4 65.5 -11.8 305 305 A S H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.852 106.7 54.5 -66.5 -39.5 55.2 63.1 -9.0 306 306 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.946 111.2 46.7 -57.8 -45.5 52.8 61.2 -11.2 307 307 A K H X S+ 0 0 103 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.939 112.9 48.3 -62.0 -46.0 55.7 60.6 -13.7 308 308 A Q H X S+ 0 0 77 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.880 109.0 54.2 -58.6 -45.4 58.1 59.5 -11.0 309 309 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.934 111.1 43.5 -61.0 -45.5 55.6 57.2 -9.4 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 4,-0.4 0.889 112.5 53.2 -68.3 -36.7 54.9 55.3 -12.6 311 311 A D H ><5S+ 0 0 44 -4,-2.3 3,-1.3 -5,-0.3 -2,-0.2 0.938 104.4 57.8 -60.4 -41.1 58.6 55.2 -13.5 312 312 A A H 3<5S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.833 109.6 42.4 -58.2 -33.1 59.1 53.7 -10.1 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.1 -3,-0.2 -1,-0.3 0.330 119.1-108.0 -97.4 5.7 56.7 50.7 -10.8 314 314 A G T < 5 + 0 0 17 -3,-1.3 2,-0.8 -4,-0.4 -3,-0.2 0.668 69.4 143.8 83.5 18.3 58.0 50.3 -14.2 315 315 A V < 0 0 3 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.805 360.0 360.0 -98.5 112.6 55.1 51.6 -16.2 316 316 A K 0 0 149 -2,-0.8 -1,-0.2 -3,-0.1 -5,-0.1 0.714 360.0 360.0-104.4 360.0 56.1 53.5 -19.3