==== 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 1FJW . 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) . 12822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.9 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 . 30 9.5 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 0 2 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 82 0, 0.0 2,-0.4 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 150.5 8.2 52.2 0.0 2 2 A T + 0 0 138 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.793 360.0 104.1 -96.1 120.9 6.2 55.3 0.6 3 3 A G - 0 0 37 -2,-0.4 2,-0.5 22,-0.0 22,-0.2 -0.973 68.8 -53.2-169.2-163.3 6.4 56.5 4.2 4 4 A T E -A 24 0A 95 20,-2.6 20,-3.0 -2,-0.3 2,-0.2 -0.845 48.3-121.7 -99.1 138.6 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 -0.444 46.2 151.6 -75.0 137.9 11.6 59.6 6.9 6 6 A T E -A 22 0A 54 16,-2.6 16,-2.6 -2,-0.2 2,-0.4 -0.851 40.5-106.7-153.9-176.8 13.2 58.9 10.3 7 7 A V E -A 21 0A 79 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -0.989 28.6-176.4-127.3 128.6 16.3 57.9 12.1 8 8 A G E -A 20 0A 4 12,-3.4 12,-2.2 -2,-0.4 2,-0.4 -0.521 16.6-131.6-115.4 178.6 17.0 54.5 13.8 9 9 A V E +Ab 19 61A 33 51,-1.7 53,-3.8 10,-0.2 2,-0.3 -0.957 32.4 145.1-135.9 141.5 19.9 53.2 15.8 10 10 A G E -Ab 18 62A 0 8,-2.2 8,-2.4 -2,-0.4 2,-0.4 -0.957 41.0-100.4-155.1-168.8 21.9 50.0 15.6 11 11 A R E -A 17 0A 113 51,-2.2 60,-0.2 -2,-0.3 6,-0.2 -0.986 31.5-138.4-128.2 133.9 25.2 48.3 15.9 12 12 A G > - 0 0 4 4,-2.6 3,-2.0 -2,-0.4 56,-0.2 -0.053 38.2 -84.2 -80.1-176.0 27.5 47.4 13.1 13 13 A V T 3 S+ 0 0 29 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.894 128.4 49.9 -58.1 -38.7 29.5 44.2 12.4 14 14 A L T 3 S- 0 0 74 54,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.346 122.3-102.6 -86.8 7.3 32.4 45.5 14.6 15 15 A G S < S+ 0 0 46 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.504 74.7 139.6 90.2 0.6 30.1 46.3 17.6 16 16 A D - 0 0 52 1,-0.0 -4,-2.6 -5,-0.0 2,-0.3 -0.596 49.8-127.0 -83.7 142.9 30.0 50.1 17.1 17 17 A Q E +A 11 0A 131 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.703 36.0 166.6 -91.4 133.6 26.7 52.0 17.5 18 18 A K E -A 10 0A 15 -8,-2.4 -8,-2.2 -2,-0.3 2,-0.4 -0.990 34.6-118.5-145.0 157.0 25.6 54.3 14.7 19 19 A N E -A 9 0A 108 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.770 31.7-165.6 -91.7 143.6 22.4 56.1 13.6 20 20 A I E -A 8 0A 4 -12,-2.2 -12,-3.4 -2,-0.4 2,-0.5 -0.970 23.5-113.8-132.6 146.3 20.9 55.1 10.3 21 21 A N E +A 7 0A 41 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.607 44.7 171.7 -80.8 121.1 18.3 56.8 8.1 22 22 A T E -A 6 0A 1 -16,-2.6 -16,-2.6 -2,-0.5 2,-0.4 -0.698 28.2-128.8-124.4 173.2 15.1 54.7 7.9 23 23 A T E -AC 5 29A 0 6,-1.8 6,-3.2 -18,-0.2 2,-0.5 -1.000 17.5-145.5-127.9 136.5 11.6 55.0 6.5 24 24 A Y E +AC 4 28A 99 -20,-3.0 -20,-2.6 -2,-0.4 4,-0.2 -0.879 38.5 138.1-108.9 128.9 8.4 54.3 8.5 25 25 A S S S- 0 0 48 2,-2.8 2,-2.6 -2,-0.5 -2,-0.0 -0.704 94.0 -49.4-163.2 78.7 5.3 52.7 7.0 26 26 A T S S+ 0 0 117 -2,-0.2 2,-0.2 32,-0.0 -2,-0.0 -0.313 140.1 37.8 80.5 -57.4 3.9 50.2 9.5 27 27 A Y S S- 0 0 115 -2,-2.6 -2,-2.8 32,-0.0 2,-0.5 -0.650 95.1-111.3-106.1 168.4 7.4 48.7 9.8 28 28 A Y E -CD 24 57A 56 29,-3.2 29,-3.0 -4,-0.2 2,-0.3 -0.929 40.5-161.6-100.9 123.2 10.7 50.6 9.8 29 29 A Y E -CD 23 56A 41 -6,-3.2 2,-2.2 -2,-0.5 -6,-1.8 -0.824 29.3-113.2-108.7 156.5 12.6 49.9 6.6 30 30 A L S S+ 0 0 0 25,-2.2 11,-2.5 -2,-0.3 2,-0.4 -0.519 71.6 128.4 -84.6 82.4 16.2 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 -0.960 44.6-159.2-139.4 113.6 15.4 53.0 3.1 32 32 A D E +E 39 0B 2 7,-2.7 7,-1.4 -2,-0.4 3,-0.5 -0.901 11.2 179.2-104.2 103.9 17.4 56.3 3.3 33 33 A N + 0 0 61 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.443 67.6 79.3 -80.8 -2.8 15.4 59.0 1.5 34 34 A T S S+ 0 0 87 1,-0.1 2,-0.6 5,-0.1 -1,-0.2 0.567 84.3 63.0 -83.5 -11.7 18.0 61.8 2.3 35 35 A R S > S- 0 0 47 -3,-0.5 3,-2.1 4,-0.1 -1,-0.1 -0.930 111.6 -63.6-122.0 108.7 20.5 60.8 -0.5 36 36 A G T 3 S- 0 0 27 -2,-0.6 62,-0.1 1,-0.3 3,-0.1 -0.210 112.4 -19.0 62.9-141.0 19.6 61.0 -4.1 37 37 A D T 3 S- 0 0 110 60,-1.8 -1,-0.3 1,-0.3 62,-0.2 0.330 119.8 -80.0 -82.7 9.0 16.8 58.7 -5.2 38 38 A G < - 0 0 2 -3,-2.1 62,-2.2 60,-0.2 2,-0.5 -0.170 28.3-109.6 116.5 155.6 17.4 56.6 -2.1 39 39 A I E -Ef 32 100B 0 -7,-1.4 -7,-2.7 60,-0.2 2,-0.4 -0.996 36.7-169.3-122.2 125.4 19.6 54.0 -0.5 40 40 A F E -Ef 31 101B 21 60,-2.7 62,-2.2 -2,-0.5 2,-0.4 -0.972 8.5-160.3-125.3 129.1 17.8 50.6 -0.0 41 41 A T E - f 0 102B 0 -11,-2.5 14,-3.0 -2,-0.4 -11,-0.3 -0.936 11.6-167.2-114.8 128.8 19.0 47.6 2.0 42 42 A Y E -Gf 54 103B 26 60,-3.1 62,-2.5 -2,-0.4 2,-0.6 -0.801 21.1-129.4-118.8 156.1 17.6 44.1 1.4 43 43 A D E -Gf 53 104B 24 10,-2.8 10,-2.0 -2,-0.3 62,-0.2 -0.912 14.4-173.2 -99.0 115.9 17.8 40.8 3.3 44 44 A A > - 0 0 3 60,-2.8 3,-2.7 -2,-0.6 63,-0.2 0.520 29.3-142.8 -91.9 1.9 18.8 37.9 0.9 45 45 A K T 3 - 0 0 109 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.812 62.7 -56.7 50.9 40.6 18.1 35.5 3.8 46 46 A Y T 3 S+ 0 0 110 59,-2.7 -1,-0.3 1,-0.3 60,-0.2 0.529 114.6 113.0 67.2 11.8 21.0 33.1 3.0 47 47 A R < - 0 0 170 -3,-2.7 60,-1.9 58,-0.3 -1,-0.3 -0.468 69.4-132.3-105.5 175.3 19.8 32.6 -0.6 48 48 A T S S+ 0 0 82 58,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.390 72.1 109.3-108.1 7.8 21.2 33.6 -3.9 49 49 A T S S- 0 0 93 -5,-0.2 -2,-0.2 2,-0.1 58,-0.1 -0.650 72.0-100.8 -81.4 133.9 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 -0.856 80.0 -2.1-121.6 151.8 18.4 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 -0.991 78.1-166.1 -88.7 -11.1 17.7 41.3 -4.3 52 52 A G - 0 0 36 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.765 47.8 -28.4 99.7-150.9 15.6 39.6 -1.6 53 53 A S E -G 43 0B 51 -10,-2.0 -10,-2.8 -2,-0.3 -8,-0.1 -0.847 65.5-104.3-109.2 143.7 13.2 41.6 0.6 54 54 A L E -G 42 0B 32 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.377 54.4 -98.4 -64.8 137.0 13.6 45.2 1.6 55 55 A W - 0 0 10 -14,-3.0 -25,-2.2 -25,-0.3 2,-0.4 -0.418 47.7-172.4 -67.7 122.3 14.8 45.1 5.2 56 56 A A E -D 29 0A 45 -2,-0.2 2,-0.4 -27,-0.2 -27,-0.2 -0.930 6.1-176.6-116.4 138.2 11.9 45.6 7.6 57 57 A D E -D 28 0A 21 -29,-3.0 -29,-3.2 -2,-0.4 3,-0.1 -0.996 24.0-141.5-136.3 144.0 12.1 46.1 11.3 58 58 A A S S+ 0 0 75 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.773 94.9 19.6 -76.4 -28.4 9.4 46.4 14.0 59 59 A D S S- 0 0 94 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.357 93.9-114.9-130.1 16.0 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 0.662 81.2 114.7 62.4 24.5 13.8 51.0 14.5 61 61 A Q E -b 9 0A 104 -53,-0.2 2,-0.5 -51,-0.0 -2,-0.3 -0.982 46.9-168.3-121.6 118.8 16.4 49.6 16.8 62 62 A F E +b 10 0A 0 -53,-3.8 -51,-2.2 -2,-0.4 9,-0.1 -0.588 41.4 124.6-117.3 70.8 19.0 47.3 15.0 63 63 A F + 0 0 58 -2,-0.5 2,-0.2 -53,-0.2 -1,-0.2 0.326 38.0 110.7-107.8 7.7 21.0 45.6 17.8 64 64 A A S >> S- 0 0 50 -3,-0.2 3,-1.2 1,-0.1 4,-0.9 -0.512 75.5-123.8 -79.3 151.5 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 0.925 114.0 58.0 -69.1 -26.7 23.4 40.1 15.5 66 66 A Y G 34 S+ 0 0 67 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.765 103.9 54.9 -66.7 -23.4 21.5 39.2 12.3 67 67 A D G X> S+ 0 0 17 -3,-1.2 4,-2.2 1,-0.2 3,-0.7 0.763 84.6 86.4 -80.5 -21.0 21.0 43.0 11.8 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.858 113.9 50.7 -64.1 -34.0 25.7 43.5 8.3 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.2 -4,-0.4 5,-0.3 0.859 106.4 54.5 -68.3 -46.2 22.6 45.4 7.2 71 71 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 -60,-0.2 5,-0.2 0.966 114.5 40.3 -48.5 -56.4 23.3 48.3 9.5 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.881 112.5 53.1 -68.2 -34.1 26.8 48.7 8.0 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.902 115.0 43.4 -63.6 -40.6 25.9 48.1 4.4 74 74 A H H X S+ 0 0 4 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.936 118.3 43.2 -68.2 -48.3 23.2 50.8 4.7 75 75 A Y H X S+ 0 0 89 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.928 114.0 48.7 -66.7 -41.9 25.4 53.2 6.6 76 76 A Y H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.849 106.2 56.5 -77.6 -21.3 28.6 52.8 4.5 77 77 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.3 -1,-0.2 0.905 107.8 51.0 -66.4 -39.5 26.7 53.2 1.2 78 78 A G H X S+ 0 0 1 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.946 110.4 47.8 -62.6 -44.8 25.6 56.6 2.7 79 79 A V H X S+ 0 0 15 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.929 112.3 49.0 -64.2 -39.8 29.2 57.6 3.6 80 80 A T H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.921 110.5 50.7 -67.4 -43.8 30.4 56.6 0.1 81 81 A Y H X S+ 0 0 18 -4,-2.7 4,-2.2 1,-0.2 11,-0.3 0.902 111.1 49.5 -56.1 -44.9 27.6 58.6 -1.5 82 82 A D H X S+ 0 0 40 -4,-2.5 4,-3.3 2,-0.2 5,-0.4 0.920 108.3 52.8 -64.3 -40.9 28.6 61.6 0.7 83 83 A Y H X>S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 5,-0.7 0.953 112.2 44.4 -58.6 -52.5 32.3 61.3 -0.3 84 84 A Y H X5S+ 0 0 10 -4,-2.1 6,-2.4 1,-0.2 4,-0.9 0.855 118.4 44.5 -65.1 -35.7 31.5 61.4 -4.0 85 85 A K H X5S+ 0 0 91 -4,-2.2 4,-0.9 4,-0.3 -2,-0.2 0.939 121.0 35.8 -72.6 -51.1 29.1 64.2 -3.6 86 86 A N H <5S+ 0 0 92 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.839 128.3 32.4 -71.5 -38.0 31.1 66.5 -1.3 87 87 A V H <5S+ 0 0 54 -4,-2.5 -3,-0.2 -5,-0.4 -1,-0.2 0.859 135.2 20.0 -88.0 -44.6 34.5 65.8 -2.7 88 88 A H H < S- 0 0 7 -2,-0.9 3,-0.8 -11,-0.3 7,-0.1 -0.058 91.9 -56.8 63.6-177.0 25.5 58.8 -7.1 93 93 A Y T 3 S+ 0 0 28 5,-0.3 -1,-0.2 1,-0.3 58,-0.1 0.845 136.9 44.3 -74.8 -25.3 27.3 56.4 -9.4 94 94 A D T 3 S- 0 0 46 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.2 0.389 110.1-116.5 -94.0 -4.2 25.6 57.4 -12.6 95 95 A G S < S+ 0 0 36 -3,-0.8 -4,-0.2 -4,-0.3 -3,-0.2 0.519 102.4 79.9 85.9 5.6 25.9 61.1 -11.9 96 96 A N S S- 0 0 124 -5,-0.2 -4,-0.2 -6,-0.1 -1,-0.1 0.010 113.0 -93.6-135.6 32.2 22.1 61.5 -11.7 97 97 A N - 0 0 36 -6,-2.6 -60,-1.8 1,-0.1 -5,-0.2 0.767 53.7-174.7 62.6 31.6 21.3 60.2 -8.3 98 98 A A - 0 0 17 -7,-0.4 -5,-0.3 -62,-0.1 -60,-0.2 -0.272 34.9-100.3 -50.8 143.1 20.5 56.6 -9.2 99 99 A A - 0 0 17 -62,-0.2 2,-0.5 -63,-0.1 -60,-0.2 -0.326 32.3-136.6 -65.1 143.0 19.2 54.6 -6.2 100 100 A I E -f 39 0B 8 -62,-2.2 -60,-2.7 -3,-0.1 2,-0.4 -0.942 22.1-170.8-108.4 122.4 21.8 52.4 -4.5 101 101 A R E +f 40 0B 94 -2,-0.5 19,-2.9 17,-0.3 2,-0.4 -0.956 6.0 180.0-116.9 137.7 20.7 48.9 -3.5 102 102 A S E -fh 41 120B 0 -62,-2.2 -60,-3.1 -2,-0.4 2,-0.4 -0.999 11.9-158.7-133.3 145.7 22.5 46.4 -1.4 103 103 A S E -fh 42 121B 0 17,-2.1 19,-2.3 -2,-0.4 3,-0.2 -0.958 13.0-169.7-120.6 137.1 21.6 42.9 -0.3 104 104 A V E +f 43 0B 0 -62,-2.5 -60,-2.8 -2,-0.4 -59,-0.3 -0.648 63.8 44.7-120.0 172.7 23.3 41.3 2.8 105 105 A H S S+ 0 0 7 17,-0.3 -59,-2.7 1,-0.2 2,-0.5 0.852 74.5 175.5 60.0 42.6 23.2 37.7 4.1 106 106 A Y - 0 0 35 16,-1.9 18,-0.4 -3,-0.2 4,-0.4 -0.631 51.6 -33.3 -82.0 123.3 23.8 36.4 0.5 107 107 A S S S- 0 0 35 -60,-1.9 2,-0.4 -2,-0.5 -60,-0.1 -0.177 92.3 -64.4 61.7-156.6 24.2 32.6 0.4 108 108 A Q S S- 0 0 154 1,-0.1 3,-0.1 15,-0.1 18,-0.1 -0.996 107.6 -7.5-132.5 130.9 25.9 30.7 3.3 109 109 A G S S+ 0 0 43 -2,-0.4 2,-0.7 16,-0.4 17,-0.3 0.779 83.6 169.9 59.3 30.8 29.5 31.1 4.4 110 110 A Y - 0 0 70 -4,-0.4 15,-2.0 15,-0.4 2,-1.4 -0.620 24.7-160.4 -86.5 111.6 30.2 33.3 1.3 111 111 A N + 0 0 54 -2,-0.7 2,-0.3 14,-0.2 -1,-0.1 -0.392 60.9 65.1 -83.0 55.7 33.6 35.0 1.6 112 112 A N - 0 0 74 -2,-1.4 11,-2.2 2,-0.0 2,-0.3 -0.990 53.7-156.2-164.6 169.1 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 -0.969 24.9 173.2-149.1 146.5 31.2 41.0 -1.7 114 114 A F E -I 121 0B 44 7,-2.5 7,-2.0 -2,-0.3 2,-0.5 -0.998 38.9-122.0-161.0 153.5 30.6 42.4 -5.2 115 115 A W E -I 120 0B 24 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.836 26.9-165.5 -86.5 121.0 28.9 44.9 -7.4 116 116 A N - 0 0 71 3,-2.6 4,-0.1 -2,-0.5 -1,-0.1 0.276 52.2 -90.5-101.2 18.2 26.9 42.9 -9.9 117 117 A G S S+ 0 0 41 2,-0.2 3,-0.1 1,-0.0 -2,-0.1 0.215 123.5 38.3 95.3 -16.4 26.2 45.6 -12.5 118 118 A S S S- 0 0 88 1,-0.4 2,-0.3 -17,-0.1 -17,-0.3 0.486 122.1 -2.1-136.7 -25.6 22.9 46.7 -10.8 119 119 A E S S- 0 0 13 -19,-0.1 -3,-2.6 -5,-0.0 -1,-0.4 -0.979 71.3 -90.9-162.1 169.5 23.4 46.4 -7.0 120 120 A M E -hI 102 115B 0 -19,-2.9 -17,-2.1 -2,-0.3 2,-0.4 -0.651 32.9-166.0 -90.6 147.7 25.8 45.5 -4.2 121 121 A V E -hI 103 114B 0 -7,-2.0 -7,-2.5 -2,-0.3 2,-0.4 -0.997 3.2-170.2-133.3 131.4 25.9 42.0 -2.7 122 122 A Y E - 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0 0 26 -5,-2.0 -1,-0.3 -6,-0.1 -2,-0.1 -0.657 61.4 -96.1 -92.9 150.5 51.5 40.8 -5.4 214 214 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.284 31.2-176.2 -62.9 143.9 53.7 42.6 -7.9 215 215 A D S S+ 0 0 13 1,-0.2 2,-0.3 -7,-0.1 3,-0.1 0.211 71.5 46.7-127.0 20.6 55.0 46.1 -7.1 216 216 A H S > S- 0 0 36 1,-0.1 3,-2.4 98,-0.1 98,-0.2 -0.987 83.4-119.0-158.1 146.0 56.8 46.6 -10.4 217 217 A Y G > S+ 0 0 60 96,-3.4 3,-1.7 -2,-0.3 97,-0.1 0.825 111.9 63.9 -61.0 -31.5 55.8 46.1 -14.1 218 218 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 95,-0.2 96,-0.1 0.701 101.8 51.0 -67.2 -14.3 58.6 43.6 -14.6 219 219 A K G < S+ 0 0 117 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.191 82.5 137.1-102.7 17.2 56.9 41.3 -12.0 220 220 A R < - 0 0 98 -3,-1.7 2,-0.4 1,-0.1 9,-0.1 -0.271 59.4-114.4 -70.2 146.5 53.5 41.3 -13.6 221 221 A Y + 0 0 73 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.643 32.1 179.0 -77.7 128.7 51.5 38.2 -13.9 222 222 A T + 0 0 114 -2,-0.4 -1,-0.1 -63,-0.0 -2,-0.1 0.385 46.3 94.4-114.5 4.3 51.0 37.2 -17.5 223 223 A G S S- 0 0 32 1,-0.0 -2,-0.0 2,-0.0 0, 0.0 0.067 82.8-101.6 -79.1-156.7 49.0 33.9 -17.3 224 224 A T S >> S+ 0 0 126 4,-0.1 4,-0.8 3,-0.1 3,-0.5 0.567 76.8 112.0-107.7 -11.9 45.2 33.4 -17.5 225 225 A Q H >> S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 3,-0.9 -0.189 80.0 20.6 -62.3 156.9 44.2 32.9 -13.9 226 226 A D H 3> S- 0 0 51 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.909 137.1 -60.2 48.3 47.8 42.1 35.6 -12.4 227 227 A N H <4 S- 0 0 92 -3,-0.5 -68,-2.5 1,-0.2 -1,-0.2 0.883 113.7 -38.0 47.3 40.9 40.9 37.0 -15.7 228 228 A G H << S- 0 0 6 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.812 114.8 -54.7 87.6 20.4 44.6 37.7 -16.6 229 229 A G H X S+ 0 0 0 -4,-2.1 4,-3.1 -5,-0.1 5,-0.5 0.766 78.5 156.6 89.5 31.2 45.6 38.8 -13.0 230 230 A V T < S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.3 -64,-0.1 0.831 82.9 36.6 -61.8 -32.4 43.1 41.6 -12.4 231 231 A H T 4 S+ 0 0 67 -5,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.608 123.3 46.2 -90.8 -13.2 43.5 41.2 -8.6 232 232 A I T >4 S+ 0 0 45 -3,-0.5 3,-1.5 -6,-0.2 4,-0.2 0.904 112.0 43.2 -91.4 -53.7 47.2 40.5 -8.9 233 233 A N T >X S+ 0 0 7 -4,-3.1 3,-1.5 1,-0.3 4,-0.8 0.689 93.7 81.2 -74.6 -7.8 48.5 43.2 -11.3 234 234 A S H 3> S+ 0 0 0 -5,-0.5 4,-2.7 -4,-0.4 3,-0.3 0.823 77.6 74.9 -65.9 -21.3 46.5 45.9 -9.6 235 235 A G H <> S+ 0 0 1 -3,-1.5 4,-2.2 1,-0.2 -1,-0.3 0.882 88.6 57.8 -59.4 -28.0 49.3 45.9 -7.0 236 236 A I H <> S+ 0 0 0 -3,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.910 112.2 38.9 -70.0 -40.2 51.5 47.8 -9.6 237 237 A I H X S+ 0 0 0 -4,-0.8 4,-2.5 -3,-0.3 -1,-0.2 0.837 112.7 56.1 -75.1 -41.3 49.0 50.6 -9.9 238 238 A N H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.882 107.4 49.7 -56.9 -42.1 48.2 50.7 -6.2 239 239 A K H X S+ 0 0 22 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.942 110.4 51.0 -63.4 -39.3 51.9 51.1 -5.4 240 240 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.904 111.1 47.6 -62.0 -42.3 52.1 54.0 -7.9 241 241 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.924 110.2 51.9 -67.8 -39.4 49.1 55.6 -6.3 242 242 A Y H X S+ 0 0 57 -4,-2.5 4,-3.5 -37,-0.2 5,-0.4 0.913 111.3 47.9 -61.3 -41.1 50.5 55.2 -2.8 243 243 A L H X S+ 0 0 3 -4,-2.5 4,-2.6 3,-0.2 -2,-0.2 0.925 107.6 54.4 -69.9 -36.7 53.8 56.9 -4.0 244 244 A I H < S+ 0 0 0 -4,-2.5 14,-2.9 -5,-0.2 15,-0.5 0.940 119.7 35.4 -59.1 -41.2 52.0 59.8 -5.6 245 245 A S H < S+ 0 0 4 -4,-2.0 14,-1.8 12,-0.3 -2,-0.2 0.927 134.9 19.5 -74.0 -54.5 50.3 60.4 -2.4 246 246 A Q H < S- 0 0 87 -4,-3.5 11,-0.4 -5,-0.2 -3,-0.2 0.700 93.2-142.5 -97.4 -23.8 52.8 59.6 0.2 247 247 A G < + 0 0 11 -4,-2.6 2,-0.2 -5,-0.4 9,-0.2 -0.026 33.2 146.2 82.7 173.6 56.1 59.7 -1.7 248 248 A G E -L 255 0E 34 7,-2.1 7,-2.7 -5,-0.1 2,-0.5 -0.815 50.3 -82.4 143.0 175.7 59.1 57.4 -1.1 249 249 A T E -L 254 0E 91 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.969 41.7-179.6-117.0 130.2 61.9 55.7 -3.0 250 250 A H E > S-L 253 0E 16 3,-2.6 3,-2.6 -2,-0.5 -2,-0.0 -1.000 70.4 -13.6-138.7 124.9 61.0 52.5 -4.8 251 251 A Y T 3 S- 0 0 115 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.869 131.1 -52.6 47.7 42.5 63.6 50.5 -6.9 252 252 A G T 3 S+ 0 0 66 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.451 113.2 117.6 81.9 1.7 65.9 53.5 -6.6 253 253 A V E < -L 250 0E 39 -3,-2.6 -3,-2.6 59,-0.1 2,-0.4 -0.871 54.6-145.0-107.4 129.9 63.4 56.0 -8.0 254 254 A S E -L 249 0E 72 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.760 13.8-170.1-100.6 135.9 62.4 58.9 -5.6 255 255 A V E -L 248 0E 8 -7,-2.7 -7,-2.1 -2,-0.4 2,-0.6 -0.977 16.9-142.9-123.7 129.8 58.9 60.4 -5.5 256 256 A V - 0 0 86 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.809 30.0-127.6 -87.8 121.3 57.8 63.5 -3.7 257 257 A G - 0 0 29 -2,-0.6 -12,-0.3 -11,-0.4 -11,-0.2 -0.384 21.0-168.7 -69.7 149.2 54.3 62.9 -2.3 258 258 A I - 0 0 27 -14,-2.9 4,-0.4 1,-0.2 -13,-0.2 0.416 46.2-110.7-117.4 2.0 51.6 65.4 -3.1 259 259 A G > - 0 0 25 -14,-1.8 4,-1.9 -15,-0.5 -1,-0.2 0.124 29.0 -73.8 94.0 174.2 49.0 64.0 -0.7 260 260 A R H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.783 119.7 57.9 -82.6 -36.8 45.6 62.2 -0.8 261 261 A D H > S+ 0 0 126 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.947 111.7 41.1 -60.2 -48.0 43.4 65.0 -1.9 262 262 A K H > S+ 0 0 72 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.885 111.7 57.7 -70.4 -31.8 45.4 65.7 -5.1 263 263 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.930 109.4 44.8 -59.9 -48.7 45.7 62.0 -5.6 264 264 A G H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.909 112.7 50.8 -62.1 -44.7 41.9 61.7 -5.6 265 265 A K H X S+ 0 0 99 -4,-2.3 4,-1.8 1,-0.2 5,-0.2 0.916 112.5 46.5 -63.4 -40.4 41.4 64.7 -7.8 266 266 A I H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.911 116.1 43.1 -65.7 -49.7 43.9 63.4 -10.4 267 267 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.856 112.1 53.3 -68.1 -32.7 42.5 59.8 -10.6 268 268 A Y H X S+ 0 0 32 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.915 112.2 45.2 -65.5 -43.8 38.9 60.9 -10.6 269 269 A R H X>S+ 0 0 75 -4,-1.8 4,-2.2 -5,-0.2 5,-0.6 0.921 113.1 50.5 -62.5 -46.9 39.6 63.2 -13.6 270 270 A A H X>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 4,-2.0 0.964 114.0 46.4 -57.7 -45.8 41.6 60.5 -15.3 271 271 A L H <5S+ 0 0 1 -4,-2.9 -118,-0.3 1,-0.2 -2,-0.2 0.875 119.7 36.4 -63.3 -46.0 38.7 58.0 -14.7 272 272 A T H <5S+ 0 0 40 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.618 130.3 25.5 -91.5 -8.8 35.9 60.3 -15.8 273 273 A Q H <5S+ 0 0 117 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.696 128.8 21.8-124.4 -24.6 37.5 62.1 -18.7 274 274 A Y T < - 0 0 65 -2,-0.1 3,-1.7 -122,-0.1 -123,-0.1 -0.821 42.3 -85.8-129.5 179.1 38.2 54.1 -22.1 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.5 0, 0.0 -123,-0.1 0.712 124.5 36.5 -61.1 -31.6 37.2 50.4 -21.9 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -117,-0.1 -118,-0.1 0.166 79.5 144.3-111.5 19.4 40.4 49.0 -23.2 279 279 A S < - 0 0 4 -3,-1.7 -115,-0.2 -126,-0.1 2,-0.1 -0.305 32.8-157.4 -54.7 139.9 42.9 51.4 -21.6 280 280 A N > - 0 0 63 -120,-0.1 4,-2.3 -116,-0.1 5,-0.1 -0.433 36.6 -85.5-108.1-175.3 46.2 49.6 -20.6 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.908 127.3 52.8 -61.0 -40.9 48.8 50.7 -18.0 282 282 A S H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 110.1 48.6 -60.5 -37.9 50.7 53.0 -20.4 283 283 A Q H > S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.905 107.4 56.5 -71.6 -30.7 47.4 54.8 -21.3 284 284 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.937 106.1 49.7 -64.0 -43.6 46.7 55.1 -17.6 285 285 A R H X S+ 0 0 36 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.937 112.1 47.9 -59.6 -49.1 50.0 56.9 -17.1 286 286 A A H X S+ 0 0 61 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.903 112.5 49.0 -55.6 -42.4 49.2 59.2 -20.0 287 287 A A H X S+ 0 0 7 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.906 112.2 47.8 -65.7 -40.8 45.7 59.9 -18.6 288 288 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.924 113.4 48.2 -70.3 -36.6 47.0 60.6 -15.1 289 289 A V H X S+ 0 0 23 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.934 112.6 47.7 -66.6 -47.0 49.7 62.9 -16.5 290 290 A Q H X S+ 0 0 85 -4,-2.6 4,-3.0 -5,-0.2 -2,-0.2 0.920 111.9 51.5 -59.8 -38.3 47.2 64.8 -18.7 291 291 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.905 110.6 46.4 -65.4 -44.0 44.8 65.1 -15.7 292 292 A A H X>S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.5 0.896 112.4 52.5 -64.5 -38.7 47.5 66.5 -13.4 293 293 A T H X5S+ 0 0 37 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.961 108.6 49.9 -60.3 -49.7 48.5 68.9 -16.3 294 294 A D H <5S+ 0 0 60 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.877 120.2 35.9 -51.1 -49.2 44.9 70.0 -16.6 295 295 A L H <5S+ 0 0 69 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.823 134.5 15.3 -78.0 -39.6 44.6 70.7 -12.9 296 296 A Y H <5S- 0 0 64 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.515 106.6 -95.2-122.0 -1.4 48.0 72.0 -11.9 297 297 A G ><< - 0 0 31 -4,-2.5 3,-1.6 -5,-0.5 6,-0.4 0.061 35.4 -90.4 98.1 146.6 50.0 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 0.666 124.3 48.3 -71.3 -13.1 52.6 71.1 -17.1 299 299 A T T 3 S+ 0 0 137 -3,-0.1 -1,-0.3 -6,-0.1 2,-0.1 0.205 87.5 120.0-115.3 27.3 55.5 72.3 -15.0 300 300 A S S <> S- 0 0 19 -3,-1.6 4,-2.0 1,-0.1 5,-0.1 -0.349 74.5-119.8 -83.6 161.9 54.0 71.6 -11.6 301 301 A Q H > S+ 0 0 99 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.851 113.4 63.5 -62.0 -35.2 55.4 69.4 -8.9 302 302 A E H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 104.2 43.7 -61.6 -47.5 52.1 67.4 -9.2 303 303 A V H > S+ 0 0 2 -6,-0.4 4,-2.3 -11,-0.2 -1,-0.2 0.930 113.0 53.9 -60.4 -40.9 52.9 66.4 -12.8 304 304 A A H X S+ 0 0 41 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.898 109.0 48.0 -60.9 -39.2 56.4 65.6 -11.8 305 305 A S H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.858 107.9 53.5 -71.4 -38.5 55.3 63.3 -9.0 306 306 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-0.3 0.955 111.6 47.5 -61.4 -44.3 52.9 61.4 -11.2 307 307 A K H X S+ 0 0 87 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.934 112.1 48.6 -59.0 -45.4 55.7 60.8 -13.7 308 308 A Q H X S+ 0 0 77 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.866 109.2 53.5 -62.0 -40.3 58.2 59.7 -11.0 309 309 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.878 111.4 43.6 -62.9 -47.8 55.6 57.3 -9.5 310 310 A F H X>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 4,-0.6 0.905 113.4 52.9 -65.2 -38.1 54.9 55.5 -12.8 311 311 A D H ><5S+ 0 0 44 -4,-2.5 3,-1.2 -5,-0.3 -2,-0.2 0.934 105.1 55.8 -59.9 -41.2 58.6 55.4 -13.5 312 312 A A H 3<5S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.810 111.0 42.9 -63.3 -31.6 59.2 53.8 -10.1 313 313 A V H 3<5S- 0 0 0 -4,-1.3 -96,-3.4 -3,-0.3 -1,-0.3 0.401 118.5-109.6 -98.1 8.8 56.8 51.0 -10.9 314 314 A G T <<5S+ 0 0 14 -3,-1.2 2,-0.7 -4,-0.6 -3,-0.2 0.702 70.7 138.8 82.8 20.5 58.2 50.5 -14.5 315 315 A V < 0 0 4 -5,-2.7 -1,-0.2 1,-0.1 -2,-0.1 -0.886 360.0 360.0-100.6 117.6 55.2 51.8 -16.4 316 316 A K 0 0 151 -2,-0.7 -1,-0.1 -3,-0.1 -5,-0.1 0.492 360.0 360.0-114.9 360.0 56.1 54.0 -19.3