==== 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 5TLI . 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) . 12734.0 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 . 22 7.0 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 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 88 0, 0.0 2,-0.6 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 144.9 8.3 52.3 0.0 2 2 A T + 0 0 133 23,-0.1 2,-0.2 21,-0.0 21,-0.0 -0.895 360.0 90.5-100.7 124.1 6.2 55.5 0.7 3 3 A G S S- 0 0 42 -2,-0.6 2,-0.5 22,-0.0 22,-0.2 -0.782 71.4 -41.0-177.8-153.5 6.3 56.8 4.2 4 4 A T E -A 24 0A 93 20,-2.3 20,-3.5 -2,-0.2 2,-0.2 -0.935 47.8-124.9-110.3 131.5 8.0 59.1 6.7 5 5 A S E +A 23 0A 65 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.478 44.2 151.7 -70.0 139.2 11.7 59.7 6.9 6 6 A T E -A 22 0A 55 16,-2.4 16,-2.3 -2,-0.2 2,-0.4 -0.794 40.4-107.8-154.3-175.7 13.2 59.1 10.3 7 7 A V E -A 21 0A 78 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.996 28.4-176.4-127.5 128.8 16.4 58.0 12.1 8 8 A G E -A 20 0A 4 12,-3.2 12,-2.5 -2,-0.4 2,-0.3 -0.550 15.1-136.0-115.5-179.0 17.0 54.7 13.8 9 9 A V E +Ab 19 61A 33 51,-1.7 53,-3.7 10,-0.3 2,-0.3 -0.974 31.6 140.4-137.8 148.0 20.0 53.4 15.8 10 10 A G E -Ab 18 62A 0 8,-2.1 8,-2.8 -2,-0.3 2,-0.4 -0.937 44.0 -91.4-165.6-168.4 21.8 50.1 15.8 11 11 A R E -A 17 0A 117 51,-2.1 6,-0.2 -2,-0.3 60,-0.2 -0.989 32.2-140.8-123.4 140.3 25.2 48.4 16.0 12 12 A G > - 0 0 4 4,-2.6 3,-2.4 -2,-0.4 56,-0.2 -0.100 41.3 -80.1 -89.4-174.2 27.4 47.5 13.0 13 13 A V T 3 S+ 0 0 29 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.801 128.7 50.8 -57.0 -37.7 29.6 44.4 12.5 14 14 A L T 3 S- 0 0 76 54,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.366 120.9-103.9 -85.7 5.7 32.4 45.6 14.7 15 15 A G S < S+ 0 0 44 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.462 75.5 138.9 91.7 -4.2 30.1 46.4 17.6 16 16 A D - 0 0 53 1,-0.0 -4,-2.6 -5,-0.0 2,-0.3 -0.572 50.0-126.4 -79.6 143.2 30.1 50.2 17.1 17 17 A Q E +A 11 0A 130 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.685 34.8 168.2 -97.1 138.1 26.8 52.1 17.5 18 18 A K E -A 10 0A 13 -8,-2.8 -8,-2.1 -2,-0.3 2,-0.3 -0.998 34.2-118.2-145.0 159.8 25.5 54.3 14.8 19 19 A N E -A 9 0A 106 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.671 32.3-168.1 -90.6 145.3 22.5 56.3 13.6 20 20 A I E -A 8 0A 3 -12,-2.5 -12,-3.2 -2,-0.3 2,-0.4 -0.982 25.9-112.0-137.6 151.1 20.9 55.3 10.3 21 21 A N E +A 7 0A 41 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.674 46.1 171.4 -84.4 119.6 18.3 56.9 8.0 22 22 A T E -A 6 0A 1 -16,-2.3 -16,-2.4 -2,-0.4 2,-0.4 -0.689 27.7-128.6-124.7 172.7 15.2 54.8 7.9 23 23 A T E -AC 5 29A 0 6,-1.8 6,-3.0 -18,-0.2 2,-0.5 -0.998 16.6-142.6-127.4 134.2 11.6 55.1 6.6 24 24 A Y E +AC 4 28A 96 -20,-3.5 -20,-2.3 -2,-0.4 4,-0.2 -0.816 40.1 136.5-102.9 128.0 8.5 54.5 8.6 25 25 A S S S- 0 0 39 2,-3.1 2,-2.5 -2,-0.5 -23,-0.1 -0.573 93.5 -51.5-161.1 77.2 5.4 52.9 7.1 26 26 A T S S+ 0 0 113 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.361 140.3 38.3 79.3 -59.3 3.9 50.4 9.5 27 27 A Y S S- 0 0 118 -2,-2.5 -2,-3.1 -4,-0.0 2,-0.5 -0.688 95.4-113.6-102.8 169.0 7.4 48.9 9.8 28 28 A Y E -CD 24 57A 59 29,-3.1 29,-3.0 -2,-0.2 2,-0.3 -0.925 39.6-159.9 -99.2 129.1 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,-1.8 -0.817 28.7-113.0-113.2 150.3 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 -0.531 72.4 128.6 -79.0 81.5 16.3 50.5 5.7 31 31 A Q E -E 40 0B 8 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.960 44.5-159.5-141.5 115.2 15.5 53.2 3.1 32 32 A D E > +E 39 0B 2 7,-3.0 7,-1.6 -2,-0.4 3,-0.5 -0.896 11.3 178.9-101.8 114.3 17.4 56.4 3.3 33 33 A N T 3 + 0 0 62 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.385 66.7 79.6 -93.3 1.8 15.5 59.2 1.5 34 34 A T T 3 S+ 0 0 86 1,-0.2 2,-0.5 5,-0.1 -1,-0.2 0.546 84.6 64.2 -88.7 -8.6 18.0 61.9 2.2 35 35 A R S X S- 0 0 47 -3,-0.5 3,-2.1 4,-0.1 -1,-0.2 -0.914 110.4 -65.0-121.6 118.2 20.5 61.0 -0.5 36 36 A G T 3 S- 0 0 30 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.229 113.1 -16.6 53.3-136.9 19.7 61.1 -4.2 37 37 A D T 3 S- 0 0 109 60,-1.7 -1,-0.3 1,-0.3 62,-0.2 0.354 119.0 -82.4 -81.2 12.2 16.9 58.7 -5.3 38 38 A G < - 0 0 2 -3,-2.1 62,-2.3 60,-0.1 2,-0.4 -0.155 29.1-110.5 107.0 151.0 17.4 56.7 -2.0 39 39 A I E -Ef 32 100B 0 -7,-1.6 -7,-3.0 60,-0.2 2,-0.4 -0.994 37.0-170.7-120.4 126.6 19.7 54.1 -0.5 40 40 A F E -Ef 31 101B 21 60,-2.4 62,-1.9 -2,-0.4 2,-0.4 -0.990 8.1-159.9-126.0 128.9 17.8 50.8 0.0 41 41 A T E - f 0 102B 0 -11,-2.2 14,-2.9 -2,-0.4 -11,-0.3 -0.940 11.3-164.4-120.8 133.5 19.1 47.7 1.9 42 42 A Y E -Gf 54 103B 26 60,-2.9 62,-2.6 -2,-0.4 2,-0.6 -0.814 20.5-128.1-117.9 155.7 17.7 44.2 1.4 43 43 A D E -Gf 53 104B 23 10,-3.2 10,-2.0 -2,-0.3 62,-0.2 -0.911 15.3-174.4-100.8 116.8 17.8 40.9 3.3 44 44 A A > - 0 0 4 60,-2.8 3,-2.5 -2,-0.6 5,-0.3 0.519 30.5-142.3 -89.6 -0.9 18.8 38.0 0.9 45 45 A K T 3 - 0 0 108 59,-0.4 61,-0.2 1,-0.3 60,-0.1 0.806 62.7 -55.7 52.9 41.3 18.1 35.6 3.8 46 46 A Y T 3 S+ 0 0 108 59,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.573 115.1 111.4 69.4 16.1 21.0 33.3 3.1 47 47 A R S < S- 0 0 169 -3,-2.5 60,-2.4 58,-0.4 -1,-0.3 -0.558 70.1-131.8-110.0-175.9 19.8 32.7 -0.5 48 48 A T S S+ 0 0 82 58,-0.2 2,-0.4 -2,-0.2 58,-0.1 0.225 71.1 112.2-118.3 7.7 21.3 33.8 -3.9 49 49 A T S S- 0 0 96 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.678 71.1-102.2 -81.4 129.3 18.1 35.2 -5.3 50 50 A L S S- 0 0 62 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.857 80.2 -1.1-115.0 151.1 18.4 39.0 -5.6 51 51 A P S S- 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.980 78.2-166.4 -85.5 -12.8 17.7 41.4 -4.3 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 51,-0.1 -8,-0.2 -0.779 47.2 -27.1 99.5-153.4 15.6 39.8 -1.5 53 53 A S E -G 43 0B 50 -10,-2.0 -10,-3.2 -2,-0.3 -8,-0.1 -0.874 65.9-107.0-104.6 132.9 13.2 41.7 0.8 54 54 A L E -G 42 0B 35 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.3 -0.346 54.4 -97.5 -56.5 132.1 13.6 45.4 1.6 55 55 A W - 0 0 12 -14,-2.9 -25,-2.2 -25,-0.3 2,-0.4 -0.462 48.7-172.9 -69.0 124.8 14.8 45.3 5.2 56 56 A A E -D 29 0A 45 -2,-0.4 2,-0.3 -27,-0.2 -27,-0.2 -0.912 5.7-175.3-119.7 140.8 11.9 45.8 7.6 57 57 A D E -D 28 0A 22 -29,-3.0 -29,-3.1 -2,-0.4 3,-0.1 -0.991 23.6-140.3-141.5 138.1 12.2 46.2 11.3 58 58 A A S S+ 0 0 76 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.797 95.5 18.4 -73.0 -28.3 9.4 46.6 14.0 59 59 A D S S- 0 0 90 2,-0.2 -1,-0.2 -31,-0.1 3,-0.1 0.243 95.3-113.6-131.7 10.9 10.9 49.2 16.3 60 60 A N S S+ 0 0 17 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.661 81.5 113.2 68.2 24.7 13.7 51.1 14.5 61 61 A Q E -b 9 0A 102 -53,-0.2 2,-0.6 -51,-0.0 3,-0.3 -0.922 48.1-166.0-122.6 123.6 16.5 49.8 16.7 62 62 A F E +b 10 0A 0 -53,-3.7 -51,-2.1 -2,-0.5 9,-0.1 -0.406 41.6 125.8-117.5 71.7 19.0 47.4 15.0 63 63 A F + 0 0 60 -2,-0.6 2,-0.2 -53,-0.2 -1,-0.2 0.353 37.6 111.2-104.8 5.0 20.9 45.7 17.7 64 64 A A S >> S- 0 0 51 -3,-0.3 4,-1.0 1,-0.1 3,-1.0 -0.485 74.9-124.7 -74.0 155.4 20.4 42.0 16.8 65 65 A S G >4 S+ 0 0 115 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.943 114.0 58.2 -72.0 -28.2 23.4 40.2 15.5 66 66 A Y G 34 S+ 0 0 67 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.760 104.2 55.0 -64.0 -28.3 21.5 39.4 12.3 67 67 A D G X> S+ 0 0 16 -3,-1.0 4,-2.4 1,-0.2 3,-0.7 0.716 84.4 85.8 -73.2 -28.5 21.0 43.2 11.8 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.876 113.0 51.5 -66.1 -31.3 25.7 43.6 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 5,-0.3 0.912 106.7 53.7 -69.7 -43.6 22.6 45.5 7.2 71 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -60,-0.2 5,-0.2 0.957 113.8 40.9 -56.4 -47.9 23.4 48.5 9.4 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.4 0.907 112.8 53.2 -72.0 -36.1 26.9 48.8 8.0 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.926 115.6 41.7 -61.4 -40.6 25.9 48.2 4.3 74 74 A H H X S+ 0 0 4 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.948 118.6 44.7 -72.0 -44.7 23.3 50.9 4.6 75 75 A Y H X S+ 0 0 92 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.939 114.1 46.7 -68.9 -45.6 25.5 53.3 6.6 76 76 A Y H X S+ 0 0 5 -4,-3.2 4,-2.5 1,-0.3 -1,-0.2 0.805 106.0 58.9 -76.8 -20.6 28.7 53.0 4.5 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.4 -1,-0.3 0.914 107.4 49.1 -64.9 -39.6 26.7 53.3 1.3 78 78 A G H X S+ 0 0 1 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.935 110.9 49.0 -65.4 -40.9 25.7 56.7 2.6 79 79 A V H X S+ 0 0 17 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.936 111.7 48.0 -63.6 -47.7 29.2 57.7 3.5 80 80 A T H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.911 111.5 51.3 -58.5 -41.2 30.5 56.7 0.1 81 81 A Y H X S+ 0 0 16 -4,-2.3 4,-2.3 1,-0.2 11,-0.2 0.935 111.1 48.7 -60.4 -45.0 27.7 58.7 -1.5 82 82 A D H X S+ 0 0 38 -4,-2.7 4,-3.9 2,-0.2 5,-0.4 0.912 108.8 53.3 -61.8 -44.8 28.7 61.7 0.6 83 83 A Y H X>S+ 0 0 11 -4,-2.4 4,-2.7 2,-0.2 5,-0.7 0.965 112.2 43.1 -54.2 -59.0 32.3 61.4 -0.3 84 84 A Y H X5S+ 0 0 8 -4,-2.3 6,-2.9 1,-0.2 4,-0.9 0.850 119.2 45.0 -59.7 -34.4 31.6 61.4 -4.0 85 85 A K H X5S+ 0 0 81 -4,-2.3 4,-1.0 -5,-0.3 -1,-0.2 0.965 120.5 36.3 -72.2 -53.0 29.1 64.2 -3.7 86 86 A N H <5S+ 0 0 90 -4,-3.9 -2,-0.2 -5,-0.2 -3,-0.2 0.771 128.9 31.7 -73.1 -34.2 31.1 66.5 -1.3 87 87 A V H <5S+ 0 0 50 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.854 134.7 21.1 -95.2 -34.2 34.6 65.9 -2.8 88 88 A H H < S- 0 0 7 -2,-0.9 3,-0.9 -11,-0.2 5,-0.1 0.033 92.9 -57.6 62.9-179.2 25.5 58.8 -7.1 93 93 A Y T 3 S+ 0 0 25 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.839 137.1 43.7 -72.4 -28.2 27.3 56.4 -9.4 94 94 A D T 3 S- 0 0 51 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.2 0.422 110.6-115.9 -90.1 -8.0 25.6 57.4 -12.6 95 95 A G S < S+ 0 0 34 -3,-0.9 -4,-0.2 -4,-0.3 -3,-0.2 0.530 102.0 82.0 89.7 3.9 26.0 61.1 -11.8 96 96 A N S S- 0 0 124 -5,-0.1 -4,-0.2 -6,-0.1 -1,-0.1 -0.110 112.2 -95.0-132.2 28.1 22.2 61.5 -11.8 97 97 A N - 0 0 36 -6,-2.4 -60,-1.7 1,-0.2 -5,-0.2 0.785 54.3-175.2 64.1 34.3 21.4 60.3 -8.2 98 98 A A - 0 0 17 -7,-0.5 -5,-0.3 -62,-0.1 -1,-0.2 -0.294 35.9 -98.3 -48.8 141.0 20.5 56.7 -9.2 99 99 A A - 0 0 17 -62,-0.2 2,-0.5 -63,-0.1 -60,-0.2 -0.239 33.0-136.4 -60.4 142.6 19.2 54.7 -6.2 100 100 A I E -f 39 0B 9 -62,-2.3 -60,-2.4 -3,-0.1 2,-0.4 -0.923 23.2-172.3-107.7 120.7 21.9 52.6 -4.4 101 101 A R E +f 40 0B 92 -2,-0.5 19,-2.8 17,-0.2 2,-0.3 -0.975 6.0 178.2-116.2 141.1 20.6 49.1 -3.5 102 102 A S E -fh 41 120B 0 -62,-1.9 -60,-2.9 -2,-0.4 2,-0.4 -0.993 12.8-157.5-138.7 143.6 22.5 46.5 -1.4 103 103 A S E -fh 42 121B 0 17,-1.9 19,-2.0 -2,-0.3 2,-0.2 -0.951 12.5-168.0-117.2 139.4 21.6 43.0 -0.2 104 104 A V E +f 43 0B 0 -62,-2.6 -60,-2.8 -2,-0.4 -59,-0.4 -0.683 64.0 45.2-119.8 175.3 23.2 41.4 2.8 105 105 A H S S+ 0 0 6 17,-0.3 -59,-2.8 -2,-0.2 2,-0.5 0.888 74.3 175.0 61.8 37.3 23.2 37.8 4.1 106 106 A Y - 0 0 35 16,-1.7 18,-0.4 -3,-0.2 4,-0.4 -0.703 51.4 -32.4 -79.4 125.7 23.7 36.5 0.5 107 107 A S S S- 0 0 32 -60,-2.4 2,-0.4 -2,-0.5 -60,-0.1 -0.067 92.1 -64.4 58.9-161.8 24.2 32.8 0.4 108 108 A Q S S- 0 0 156 1,-0.1 3,-0.1 15,-0.1 -1,-0.1 -0.983 107.6 -8.8-125.4 126.4 25.9 30.9 3.3 109 109 A G S S+ 0 0 42 -2,-0.4 2,-0.6 16,-0.4 17,-0.2 0.846 83.8 172.6 65.2 32.1 29.5 31.2 4.4 110 110 A Y - 0 0 71 -4,-0.4 15,-2.2 15,-0.3 2,-1.1 -0.705 24.7-158.2 -90.0 117.1 30.2 33.4 1.3 111 111 A N + 0 0 54 -2,-0.6 2,-0.3 13,-0.1 -1,-0.1 -0.329 62.2 67.1 -89.9 47.0 33.7 35.0 1.5 112 112 A N - 0 0 72 -2,-1.1 11,-2.7 18,-0.0 2,-0.3 -0.986 52.5-158.8-159.4 170.8 33.0 37.8 -0.9 113 113 A A E +I 122 0B 4 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.958 25.1 169.8-148.7 144.1 31.2 41.1 -1.7 114 114 A F E -I 121 0B 45 7,-2.4 7,-1.8 -2,-0.3 2,-0.5 -0.995 40.6-122.1-161.0 153.7 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 -0.828 29.0-164.9 -86.8 118.3 28.9 45.1 -7.4 116 116 A N - 0 0 68 3,-2.6 -1,-0.1 -2,-0.5 4,-0.1 0.163 52.1 -87.1 -94.1 10.0 26.9 42.9 -9.9 117 117 A G S S+ 0 0 39 2,-0.2 3,-0.1 1,-0.0 -2,-0.1 0.033 124.9 35.5 107.0 -27.8 26.1 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 0.561 122.7 -3.5-131.8 -21.9 22.9 46.8 -10.8 119 119 A E S S- 0 0 14 -19,-0.1 -3,-2.6 -5,-0.1 -1,-0.4 -0.974 71.7 -86.2-163.5 171.7 23.5 46.6 -7.0 120 120 A M E -hI 102 115B 0 -19,-2.8 -17,-1.9 -2,-0.3 2,-0.4 -0.647 32.6-167.1 -90.3 148.0 25.8 45.6 -4.1 121 121 A V E -hI 103 114B 0 -7,-1.8 -7,-2.4 -2,-0.3 2,-0.5 -0.999 3.2-169.0-134.4 129.4 25.9 42.1 -2.7 122 122 A Y E - 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0 0 85 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.799 29.5-126.4 -89.1 125.1 57.9 63.6 -3.6 257 257 A G - 0 0 29 -2,-0.6 -12,-0.2 -11,-0.4 -11,-0.2 -0.424 21.4-170.1 -70.1 146.4 54.4 63.0 -2.3 258 258 A I - 0 0 25 -14,-3.2 4,-0.4 1,-0.1 -13,-0.2 0.353 46.9-108.3-117.7 3.4 51.7 65.5 -3.1 259 259 A G > - 0 0 24 -14,-2.2 4,-2.0 -15,-0.5 3,-0.3 0.163 28.5 -74.8 98.8 167.4 49.0 64.2 -0.7 260 260 A R H > S+ 0 0 90 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.750 119.9 55.9 -74.7 -39.2 45.7 62.3 -0.8 261 261 A D H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.908 110.8 43.1 -64.5 -46.2 43.5 65.1 -1.9 262 262 A K H > S+ 0 0 74 -4,-0.4 4,-2.9 -3,-0.3 -2,-0.2 0.869 111.4 57.0 -65.8 -38.1 45.5 65.8 -5.1 263 263 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.916 108.9 45.8 -57.3 -46.3 45.8 62.1 -5.7 264 264 A G H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.928 113.1 49.9 -62.9 -40.4 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 0.940 112.8 46.0 -70.4 -39.3 41.5 64.8 -7.9 266 266 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.947 117.3 42.4 -67.0 -48.0 44.0 63.6 -10.5 267 267 A F H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 -2,-0.2 0.882 113.3 52.0 -70.5 -33.6 42.7 60.0 -10.6 268 268 A Y H X S+ 0 0 31 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.939 112.8 46.0 -64.6 -41.0 39.0 61.0 -10.6 269 269 A R H X>S+ 0 0 81 -4,-2.0 4,-1.8 -5,-0.3 5,-0.5 0.939 113.1 49.5 -66.7 -44.4 39.7 63.4 -13.5 270 270 A A H X>S+ 0 0 0 -4,-2.4 5,-1.8 -5,-0.2 4,-1.6 0.936 113.7 47.5 -58.2 -46.1 41.6 60.7 -15.3 271 271 A L H <5S+ 0 0 1 -4,-3.0 -118,-0.5 1,-0.2 -2,-0.2 0.866 119.7 35.6 -61.5 -41.7 38.8 58.2 -14.8 272 272 A T H <5S+ 0 0 40 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.587 129.8 29.0 -95.0 -10.3 35.9 60.4 -15.9 273 273 A Q H <5S+ 0 0 113 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.603 128.0 17.4-115.9 -38.7 37.7 62.3 -18.7 274 274 A Y T < - 0 0 64 -2,-0.2 3,-2.1 -122,-0.1 -120,-0.1 -0.805 40.8 -87.7-125.2 177.7 38.4 54.2 -22.1 277 277 A P T 3 S+ 0 0 65 0, 0.0 -121,-2.4 0, 0.0 -123,-0.1 0.770 125.4 36.1 -58.7 -32.3 37.2 50.6 -21.9 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.150 80.5 144.3-110.6 22.9 40.5 49.2 -23.2 279 279 A S < - 0 0 3 -3,-2.1 -115,-0.2 -126,-0.1 2,-0.2 -0.308 32.4-158.0 -57.8 143.9 43.0 51.5 -21.6 280 280 A N > - 0 0 62 -120,-0.1 4,-2.4 -119,-0.1 5,-0.2 -0.470 35.4 -84.4-115.8-168.4 46.2 49.8 -20.6 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.938 126.4 51.0 -65.0 -37.4 48.9 50.9 -18.0 282 282 A S H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.946 110.9 48.5 -65.7 -37.5 50.8 53.1 -20.4 283 283 A Q H > S+ 0 0 90 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.932 107.4 56.4 -74.1 -25.4 47.6 54.9 -21.3 284 284 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.965 106.4 50.6 -64.4 -42.0 46.7 55.3 -17.6 285 285 A R H X S+ 0 0 36 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.954 111.6 47.4 -58.3 -46.9 50.1 57.0 -17.1 286 286 A A H X S+ 0 0 60 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.927 112.5 49.8 -62.9 -39.0 49.3 59.4 -20.0 287 287 A A H X S+ 0 0 7 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.890 112.3 47.0 -65.0 -38.9 45.8 60.1 -18.6 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 5,-0.3 0.929 112.6 49.3 -72.6 -35.6 47.1 60.8 -15.2 289 289 A V H X S+ 0 0 25 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.953 113.0 47.3 -69.3 -42.2 49.8 63.1 -16.5 290 290 A Q H X S+ 0 0 81 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.908 112.2 50.3 -63.4 -41.0 47.3 65.0 -18.7 291 291 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.928 111.7 46.3 -59.5 -50.3 44.9 65.3 -15.7 292 292 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.4 0.927 113.1 52.0 -61.7 -39.6 47.6 66.7 -13.4 293 293 A T H X S+ 0 0 35 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.945 108.6 50.1 -58.2 -51.3 48.6 69.0 -16.2 294 294 A D H < S+ 0 0 60 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.859 120.7 34.7 -53.2 -46.2 45.0 70.2 -16.6 295 295 A L H < S+ 0 0 71 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.781 135.2 16.9 -80.5 -36.2 44.7 70.9 -12.9 296 296 A Y H < S- 0 0 62 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.450 106.5 -98.5-121.5 -5.2 48.1 72.1 -11.9 297 297 A G >< - 0 0 31 -4,-2.7 3,-1.5 -5,-0.4 6,-0.3 0.199 34.8 -89.6 96.9 142.9 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 0.631 125.2 47.3 -66.0 -15.1 52.7 71.2 -17.1 299 299 A T T 3 S+ 0 0 138 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.272 87.3 119.0-113.2 17.9 55.6 72.5 -15.0 300 300 A S S <> S- 0 0 17 -3,-1.5 4,-1.8 1,-0.1 5,-0.1 -0.254 74.6-120.5 -70.8 160.7 54.0 71.8 -11.6 301 301 A Q H > S+ 0 0 97 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.862 112.9 65.0 -63.6 -32.9 55.5 69.5 -8.9 302 302 A E H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 104.0 43.2 -58.5 -50.6 52.2 67.5 -9.2 303 303 A V H > S+ 0 0 2 -6,-0.3 4,-2.4 -11,-0.2 5,-0.2 0.949 112.7 53.2 -59.4 -46.4 52.9 66.6 -12.8 304 304 A A H X S+ 0 0 42 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.941 109.3 48.8 -61.4 -37.5 56.5 65.8 -11.9 305 305 A S H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.848 106.9 54.9 -69.2 -34.0 55.5 63.4 -9.1 306 306 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.936 111.5 46.6 -64.0 -41.5 53.0 61.6 -11.3 307 307 A K H X S+ 0 0 86 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.913 112.1 48.0 -63.5 -47.9 55.8 60.9 -13.7 308 308 A Q H X S+ 0 0 72 -4,-2.3 4,-3.2 -5,-0.2 -1,-0.2 0.907 109.8 54.0 -57.2 -46.7 58.3 59.8 -11.1 309 309 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.932 111.8 43.1 -55.3 -50.2 55.8 57.4 -9.5 310 310 A F H X>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 4,-0.6 0.912 113.6 52.4 -65.6 -37.8 55.0 55.7 -12.8 311 311 A D H ><5S+ 0 0 45 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.931 106.1 55.4 -60.2 -42.7 58.7 55.6 -13.6 312 312 A A H 3<5S+ 0 0 1 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.838 110.7 43.4 -59.1 -34.8 59.3 54.0 -10.2 313 313 A V H 3<5S- 0 0 0 -4,-1.6 -96,-3.5 -3,-0.2 -1,-0.2 0.426 119.0-110.8 -97.7 10.1 56.8 51.1 -10.9 314 314 A G T <<5 + 0 0 13 -3,-1.0 2,-0.7 -4,-0.6 -3,-0.2 0.729 68.6 142.0 83.4 16.8 58.3 50.7 -14.4 315 315 A V < 0 0 4 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.832 360.0 360.0 -97.7 114.0 55.3 52.0 -16.4 316 316 A K 0 0 153 -2,-0.7 -1,-0.2 -5,-0.1 -5,-0.1 0.701 360.0 360.0-103.7 360.0 56.2 54.0 -19.5