==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-NOV-01 1KEI . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR M.SENDA,T.SENDA,S.KIDOKORO . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.4 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 10.7 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 33.0 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 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 85 0, 0.0 2,-0.5 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 166.1 8.2 52.0 65.3 2 2 A T + 0 0 134 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.760 360.0 104.0 -91.0 130.2 6.3 55.1 66.1 3 3 A G - 0 0 37 -2,-0.5 2,-0.5 23,-0.0 22,-0.2 -0.944 67.0 -50.6-174.2-164.4 6.5 56.3 69.6 4 4 A T E -A 24 0A 96 20,-2.4 20,-3.2 -2,-0.3 2,-0.2 -0.827 48.7-126.4 -98.7 127.5 7.9 58.7 72.3 5 5 A S E +A 23 0A 69 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.520 44.5 151.5 -72.7 134.6 11.6 59.3 72.4 6 6 A T E -A 22 0A 52 16,-2.7 16,-2.3 -2,-0.2 2,-0.4 -0.838 40.8-105.3-148.8-175.1 13.1 58.7 75.9 7 7 A V E -A 21 0A 76 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.984 28.9-175.1-127.7 127.6 16.2 57.7 77.7 8 8 A G E -A 20 0A 3 12,-3.1 12,-1.9 -2,-0.4 2,-0.4 -0.501 16.6-130.7-108.5 179.9 16.9 54.3 79.3 9 9 A V E +Ab 19 61A 29 51,-1.7 53,-3.2 10,-0.2 2,-0.3 -0.986 32.4 148.0-134.9 144.4 19.8 53.0 81.4 10 10 A G E -Ab 18 62A 0 8,-2.2 8,-2.3 -2,-0.4 2,-0.4 -0.921 40.0-103.9-158.4-175.6 21.8 49.8 81.2 11 11 A R E -A 17 0A 108 51,-2.3 60,-0.2 -2,-0.3 6,-0.2 -0.981 31.8-141.2-125.1 133.6 25.1 48.0 81.6 12 12 A G > - 0 0 5 4,-2.7 3,-1.9 -2,-0.4 56,-0.2 -0.120 38.3 -82.0 -83.8-175.2 27.4 47.1 78.7 13 13 A V T 3 S+ 0 0 31 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.829 129.2 49.4 -56.3 -37.2 29.5 44.0 78.1 14 14 A L T 3 S- 0 0 76 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.345 121.5-104.3 -87.9 6.4 32.3 45.3 80.3 15 15 A G S < S+ 0 0 45 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.550 73.9 140.3 85.5 8.2 29.9 46.1 83.2 16 16 A D - 0 0 50 1,-0.0 -4,-2.7 -5,-0.0 2,-0.3 -0.635 49.7-126.0 -87.6 142.4 29.9 49.9 82.7 17 17 A Q E +A 11 0A 126 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.683 36.7 164.5 -88.9 137.9 26.7 51.8 83.1 18 18 A K E -A 10 0A 15 -8,-2.3 -8,-2.2 -2,-0.3 2,-0.4 -0.989 35.6-116.6-150.4 155.9 25.5 54.1 80.3 19 19 A N E -A 9 0A 107 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.753 31.7-166.5 -93.4 141.5 22.4 55.9 79.2 20 20 A I E -A 8 0A 3 -12,-1.9 -12,-3.1 -2,-0.4 2,-0.5 -0.975 23.4-114.6-131.5 145.9 20.9 54.9 75.9 21 21 A N E +A 7 0A 43 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.657 44.0 169.8 -80.9 125.4 18.2 56.5 73.6 22 22 A T E -A 6 0A 1 -16,-2.3 -16,-2.7 -2,-0.5 2,-0.4 -0.731 28.9-126.5-128.3 175.5 15.1 54.4 73.4 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.4 -18,-0.2 2,-0.5 -0.995 18.3-142.9-129.8 132.7 11.5 54.8 72.0 24 24 A Y E +AC 4 28A 104 -20,-3.2 -20,-2.4 -2,-0.4 4,-0.2 -0.845 39.8 136.8-104.2 126.0 8.4 54.1 74.0 25 25 A S S S- 0 0 46 2,-2.8 2,-2.6 -2,-0.5 -2,-0.0 -0.554 94.6 -49.2-163.1 84.4 5.3 52.5 72.5 26 26 A T S S+ 0 0 114 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.390 140.3 37.9 76.6 -59.5 3.8 49.9 75.0 27 27 A Y S S- 0 0 115 -2,-2.6 -2,-2.8 -4,-0.0 2,-0.6 -0.653 94.4-111.7-109.1 168.6 7.4 48.5 75.2 28 28 A Y E -CD 24 57A 55 29,-3.2 29,-2.5 -2,-0.2 2,-0.3 -0.930 39.5-159.7-102.3 122.4 10.7 50.5 75.3 29 29 A Y E -CD 23 56A 47 -6,-3.4 2,-2.2 -2,-0.6 -6,-1.9 -0.754 28.6-115.0-106.1 151.9 12.6 49.8 72.1 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.2 11,-0.3 2,-0.4 -0.567 71.6 129.5 -81.4 77.7 16.2 50.2 71.2 31 31 A Q E -E 40 0B 10 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.962 44.7-158.6-137.0 114.5 15.4 52.8 68.7 32 32 A D E > +E 39 0B 2 7,-2.7 7,-1.4 -2,-0.4 3,-0.5 -0.860 12.6 177.7 -99.2 108.5 17.4 56.1 68.8 33 33 A N T 3 + 0 0 61 -2,-0.7 -1,-0.1 -11,-0.2 5,-0.1 0.433 67.6 78.8 -89.6 0.1 15.4 58.9 67.1 34 34 A T T 3 S+ 0 0 88 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.606 85.6 63.4 -84.7 -11.4 18.0 61.6 67.9 35 35 A R S X S- 0 0 48 -3,-0.5 3,-2.3 4,-0.1 -1,-0.1 -0.926 111.1 -65.6-122.1 111.7 20.5 60.6 65.2 36 36 A G T 3 S- 0 0 28 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.187 112.1 -18.5 52.9-138.8 19.6 60.8 61.5 37 37 A N T 3 S- 0 0 108 60,-1.8 -1,-0.3 1,-0.3 62,-0.2 0.296 119.9 -86.4 -82.1 10.5 16.8 58.5 60.4 38 38 A G < - 0 0 1 -3,-2.3 62,-2.4 60,-0.1 2,-0.5 -0.100 27.2-103.6 108.0 157.1 17.5 56.5 63.5 39 39 A I E -Ef 32 100B 0 -7,-1.4 -7,-2.7 60,-0.2 2,-0.4 -0.992 36.5-169.8-120.5 124.5 19.7 53.8 65.1 40 40 A F E -Ef 31 101B 22 60,-3.2 62,-2.2 -2,-0.5 2,-0.5 -0.967 7.1-162.7-121.5 132.6 17.9 50.4 65.5 41 41 A T E - f 0 102B 0 -11,-2.2 14,-2.6 -2,-0.4 -11,-0.3 -0.959 11.6-164.5-119.9 129.3 19.2 47.4 67.4 42 42 A Y E -Gf 54 103B 29 60,-3.6 62,-2.4 -2,-0.5 2,-0.6 -0.747 20.5-127.8-113.5 158.4 17.7 44.0 67.0 43 43 A D E -Gf 53 104B 24 10,-3.0 10,-2.0 -2,-0.3 62,-0.2 -0.916 15.0-173.3-104.0 116.2 17.8 40.6 68.8 44 44 A A > - 0 0 4 60,-2.7 3,-2.4 -2,-0.6 5,-0.3 0.491 29.2-142.1 -86.5 -4.8 18.9 37.8 66.5 45 45 A K T 3 - 0 0 105 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.791 62.0 -59.3 48.1 40.8 18.1 35.3 69.3 46 46 A Y T 3 S+ 0 0 108 59,-2.6 -1,-0.3 1,-0.2 60,-0.2 0.560 113.8 113.4 68.8 9.8 21.0 33.0 68.6 47 47 A R S < S- 0 0 173 -3,-2.4 60,-2.3 58,-0.3 -1,-0.2 -0.488 70.9-130.4-102.4 176.1 19.7 32.4 65.0 48 48 A T S S+ 0 0 85 58,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.345 71.8 112.4-108.6 4.0 21.3 33.4 61.7 49 49 A T S S- 0 0 98 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.623 70.2 -99.8 -77.7 132.6 18.1 35.0 60.3 50 50 A L S S- 0 0 53 -2,-0.3 -2,-0.1 1,-0.2 71,-0.0 -0.872 80.4 -6.1-117.3 151.7 18.5 38.7 59.9 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.991 79.4-166.6 -85.6 -11.8 17.7 41.2 61.3 52 52 A G - 0 0 36 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.785 46.9 -26.2 102.4-149.4 15.6 39.5 63.9 53 53 A S E -G 43 0B 51 -10,-2.0 -10,-3.0 -2,-0.3 -8,-0.1 -0.853 66.1-105.2-108.6 138.1 13.3 41.4 66.2 54 54 A L E -G 42 0B 34 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.379 54.1 -97.3 -57.1 130.3 13.6 45.1 67.1 55 55 A W - 0 0 10 -14,-2.6 -25,-2.0 -25,-0.3 2,-0.4 -0.335 47.6-172.0 -59.9 118.0 14.8 45.0 70.7 56 56 A A E -D 29 0A 45 -2,-0.2 2,-0.4 -27,-0.2 -27,-0.2 -0.916 6.5-177.7-115.0 138.2 11.9 45.4 73.1 57 57 A D E -D 28 0A 22 -29,-2.5 -29,-3.2 -2,-0.4 5,-0.1 -0.995 23.3-143.4-135.7 140.4 12.2 45.9 76.9 58 58 A A S S+ 0 0 75 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.806 94.7 22.5 -74.8 -31.2 9.4 46.2 79.5 59 59 A D S S- 0 0 88 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.369 95.6-114.9-122.9 7.8 10.9 48.8 81.9 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.705 81.5 115.7 67.2 20.0 13.6 50.8 80.0 61 61 A Q E -b 9 0A 98 -53,-0.2 2,-0.4 -51,-0.0 -2,-0.3 -0.991 45.7-169.9-121.5 124.0 16.3 49.3 82.3 62 62 A F E +b 10 0A 0 -53,-3.2 -51,-2.3 -2,-0.5 9,-0.1 -0.559 40.7 123.9-117.8 69.0 18.9 47.1 80.6 63 63 A F + 0 0 69 -2,-0.4 2,-0.2 -53,-0.2 -1,-0.1 0.345 39.8 110.5-106.6 3.5 20.9 45.4 83.4 64 64 A A S >> S- 0 0 51 -3,-0.2 4,-1.1 1,-0.1 3,-1.1 -0.512 76.4-122.0 -78.5 148.9 20.4 41.7 82.4 65 65 A S T 34 S+ 0 0 115 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.881 114.7 56.9 -57.7 -36.9 23.4 39.8 81.1 66 66 A Y T 34 S+ 0 0 67 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.769 103.9 55.0 -65.3 -25.1 21.4 39.1 77.9 67 67 A D T X> S+ 0 0 17 -3,-1.1 4,-2.3 1,-0.2 3,-0.8 0.784 84.8 85.3 -78.0 -29.9 21.0 42.9 77.4 68 68 A A H 3X S+ 0 0 14 -4,-1.1 4,-2.1 -3,-0.5 -55,-0.5 0.833 87.7 47.4 -42.4 -53.8 24.6 43.8 77.5 69 69 A P H 3> S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.863 113.7 49.9 -60.9 -34.5 25.6 43.2 73.9 70 70 A A H <> S+ 0 0 0 -3,-0.8 4,-2.5 -4,-0.4 5,-0.3 0.908 107.2 54.1 -69.1 -43.2 22.5 45.2 72.8 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 -60,-0.2 5,-0.2 0.942 114.2 40.8 -56.4 -49.6 23.3 48.1 75.1 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.877 113.1 52.0 -70.1 -38.8 26.8 48.5 73.6 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.926 115.7 43.5 -62.8 -41.0 25.9 47.9 70.0 74 74 A H H X S+ 0 0 4 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.948 118.1 43.3 -68.0 -49.7 23.2 50.6 70.3 75 75 A Y H X S+ 0 0 93 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.916 115.0 46.7 -65.2 -46.7 25.4 53.0 72.3 76 76 A Y H X S+ 0 0 6 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.773 106.1 58.4 -71.3 -25.2 28.6 52.7 70.2 77 77 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.897 107.9 49.9 -67.1 -36.7 26.7 53.0 66.9 78 78 A G H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.915 109.1 49.2 -65.8 -44.0 25.6 56.3 68.3 79 79 A V H X S+ 0 0 15 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.905 111.6 49.9 -62.2 -41.2 29.1 57.4 69.2 80 80 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.902 109.0 51.5 -65.3 -40.5 30.4 56.4 65.8 81 81 A Y H X S+ 0 0 14 -4,-2.2 4,-2.3 1,-0.2 11,-0.3 0.927 110.4 50.0 -60.7 -43.4 27.5 58.4 64.1 82 82 A D H X S+ 0 0 38 -4,-2.4 4,-3.2 2,-0.2 5,-0.4 0.886 107.8 53.7 -62.1 -41.0 28.6 61.4 66.3 83 83 A Y H X>S+ 0 0 11 -4,-2.3 4,-2.8 1,-0.2 5,-0.7 0.966 111.7 43.2 -58.7 -54.5 32.2 61.1 65.2 84 84 A Y H X5S+ 0 0 6 -4,-2.2 6,-2.4 3,-0.2 4,-1.0 0.875 119.0 44.9 -61.7 -36.7 31.4 61.1 61.5 85 85 A K H X5S+ 0 0 86 -4,-2.3 4,-0.9 4,-0.3 -2,-0.2 0.959 121.0 35.9 -72.4 -50.8 29.0 64.0 61.9 86 86 A N H <5S+ 0 0 90 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.856 128.4 32.4 -73.2 -37.3 31.0 66.2 64.2 87 87 A V H <5S+ 0 0 55 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.1 0.852 135.2 20.2 -90.4 -37.8 34.5 65.5 62.8 88 88 A H H < - 0 0 63 -2,-0.5 6,-2.2 4,-0.3 4,-0.7 -0.769 64.8 -46.4 -91.6 102.2 25.5 62.3 58.0 92 92 A S T >4 S- 0 0 4 -2,-1.0 3,-0.7 -11,-0.3 7,-0.1 0.019 92.6 -54.7 62.7-175.1 25.5 58.6 58.7 93 93 A Y T 34 S+ 0 0 20 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.783 138.0 43.6 -69.9 -27.0 27.3 56.1 56.4 94 94 A D T 34 S- 0 0 48 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.477 109.2-116.9 -96.8 -1.7 25.6 57.1 53.1 95 95 A G S << S+ 0 0 33 -3,-0.7 -4,-0.3 -4,-0.7 -3,-0.2 0.494 102.0 81.0 80.9 2.7 25.9 60.9 53.8 96 96 A N S S- 0 0 122 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.052 113.1 -94.6-130.5 32.1 22.2 61.2 53.8 97 97 A N - 0 0 37 -6,-2.2 -60,-1.8 1,-0.2 -5,-0.2 0.796 54.6-173.1 61.5 35.3 21.3 60.0 57.4 98 98 A A - 0 0 16 -7,-0.5 -5,-0.3 -62,-0.1 -1,-0.2 -0.279 33.8 -98.4 -58.6 141.8 20.6 56.4 56.5 99 99 A A - 0 0 15 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.357 34.0-136.6 -62.3 139.9 19.2 54.4 59.4 100 100 A I E -f 39 0B 2 -62,-2.4 -60,-3.2 -3,-0.1 2,-0.4 -0.897 22.8-171.3-103.9 122.3 21.8 52.3 61.2 101 101 A R E +f 40 0B 89 -2,-0.6 19,-2.8 17,-0.3 2,-0.3 -0.941 6.6 179.1-118.7 137.7 20.7 48.8 62.1 102 102 A S E -fh 41 120B 0 -62,-2.2 -60,-3.6 -2,-0.4 2,-0.4 -0.990 12.1-157.8-135.2 143.3 22.6 46.3 64.2 103 103 A S E -fh 42 121B 0 17,-1.9 19,-2.5 -2,-0.3 3,-0.2 -0.980 12.9-169.5-121.4 132.5 21.7 42.7 65.3 104 104 A V E +f 43 0B 0 -62,-2.4 -60,-2.7 -2,-0.4 -59,-0.3 -0.695 63.5 43.2-114.9 171.8 23.2 41.1 68.3 105 105 A H S S+ 0 0 6 17,-0.3 -59,-2.6 -2,-0.2 2,-0.5 0.888 74.9 177.7 59.6 39.9 23.2 37.5 69.6 106 106 A Y - 0 0 35 16,-2.0 18,-0.5 -3,-0.2 4,-0.4 -0.657 50.2 -35.4 -78.2 124.1 23.8 36.3 66.1 107 107 A S S S- 0 0 33 -60,-2.3 2,-0.4 -2,-0.5 -60,-0.1 -0.064 93.1 -59.0 59.0-161.1 24.2 32.5 66.0 108 108 A Q S S- 0 0 158 1,-0.1 3,-0.1 15,-0.1 18,-0.1 -0.982 109.3 -12.6-124.1 126.2 25.9 30.6 68.8 109 109 A G S S+ 0 0 41 -2,-0.4 2,-0.6 16,-0.4 17,-0.3 0.839 83.4 174.2 55.8 36.5 29.4 31.1 70.0 110 110 A Y - 0 0 72 -4,-0.4 15,-1.9 15,-0.3 2,-1.0 -0.661 22.5-158.0 -81.3 116.3 30.1 33.2 66.9 111 111 A N + 0 0 43 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.1 -0.351 61.7 56.6 -91.4 54.2 33.6 34.8 67.1 112 112 A N - 0 0 31 -2,-1.0 11,-2.1 206,-0.1 2,-0.3 -0.982 55.6-150.3-166.7 173.5 33.1 37.7 64.7 113 113 A A E +I 122 0B 0 -2,-0.3 206,-0.3 9,-0.2 2,-0.3 -0.958 25.2 171.5-149.0 151.0 31.2 40.8 63.8 114 114 A F E -I 121 0B 51 7,-2.3 7,-2.5 -2,-0.3 2,-0.5 -0.998 38.0-120.0-163.1 162.5 30.6 42.2 60.3 115 115 A W E -I 120 0B 24 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.932 25.1-166.1-102.8 126.0 28.8 44.7 58.0 116 116 A N - 0 0 72 3,-2.5 4,-0.1 -2,-0.5 -1,-0.1 0.233 53.0 -91.1-102.4 16.1 26.8 42.7 55.5 117 117 A G S S+ 0 0 36 2,-0.2 3,-0.1 1,-0.0 -2,-0.0 0.239 124.0 41.6 95.9 -12.7 26.1 45.5 53.1 118 118 A S S S- 0 0 85 1,-0.4 -17,-0.3 -17,-0.0 2,-0.3 0.537 121.3 -5.6-134.4 -28.9 22.8 46.4 54.8 119 119 A Q - 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0 0 27 -5,-1.9 -1,-0.3 -6,-0.1 -2,-0.1 -0.630 60.7 -99.0 -87.6 147.0 51.2 40.6 60.3 214 214 A P - 0 0 10 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.315 29.7-176.1 -64.7 142.1 53.5 42.4 57.8 215 215 A D S S+ 0 0 15 1,-0.2 2,-0.3 -7,-0.1 18,-0.0 0.112 72.0 45.5-122.6 17.6 54.8 45.9 58.6 216 216 A H S > S- 0 0 38 98,-0.1 3,-2.0 1,-0.1 98,-0.2 -0.966 82.4-119.5-158.7 143.9 56.5 46.4 55.2 217 217 A Y G > S+ 0 0 57 96,-3.2 3,-1.6 -2,-0.3 97,-0.1 0.776 110.2 65.4 -57.4 -30.3 55.5 45.8 51.6 218 218 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.700 102.4 50.0 -67.2 -17.2 58.4 43.3 51.1 219 219 A K G < S+ 0 0 121 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.221 82.2 138.7-105.2 14.1 56.7 41.0 53.6 220 220 A R < - 0 0 97 -3,-1.6 2,-0.4 1,-0.1 9,-0.1 -0.244 58.0-114.3 -61.8 145.5 53.2 41.2 52.0 221 221 A Y - 0 0 67 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.678 29.7-178.0 -81.9 130.9 51.2 38.0 51.8 222 222 A T + 0 0 117 -2,-0.4 -1,-0.1 -63,-0.0 7,-0.1 0.232 46.1 104.6-114.7 12.1 50.7 36.8 48.2 223 223 A G S S- 0 0 26 1,-0.1 -2,-0.0 2,-0.1 0, 0.0 0.036 76.5-113.5 -80.4-167.0 48.5 33.8 48.8 224 224 A T S >> S+ 0 0 131 4,-0.1 4,-0.7 3,-0.1 3,-0.6 0.539 75.6 109.3-107.7 -11.3 44.8 33.2 48.3 225 225 A Q H >> S+ 0 0 144 1,-0.2 4,-2.2 2,-0.2 3,-0.8 -0.270 80.4 21.1 -65.3 153.5 43.7 32.7 51.9 226 226 A D H 3> S- 0 0 47 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.894 138.0 -60.6 55.2 43.8 41.6 35.5 53.6 227 227 A N H <4 S- 0 0 88 -3,-0.6 -68,-2.2 1,-0.2 -1,-0.3 0.847 114.0 -35.5 52.6 38.7 40.6 36.8 50.2 228 228 A G H << S- 0 0 4 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.748 115.0 -58.6 88.4 24.4 44.2 37.5 49.3 229 229 A G H >X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.1 3,-0.5 0.871 76.3 160.6 73.9 41.7 45.2 38.5 52.9 230 230 A V T 3< S+ 0 0 0 -4,-2.6 4,-0.3 1,-0.2 -64,-0.2 0.846 81.2 39.2 -63.5 -33.8 42.8 41.4 53.4 231 231 A H T 34 S+ 0 0 19 -5,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.521 121.3 47.1 -91.4 -6.6 43.2 41.2 57.2 232 232 A I T X4 S+ 0 0 44 -3,-0.5 3,-1.8 -6,-0.2 -2,-0.2 0.884 111.4 42.9 -96.3 -58.0 46.9 40.4 56.9 233 233 A N T >X S+ 0 0 7 -4,-2.8 3,-1.3 1,-0.3 4,-0.7 0.587 94.6 82.1 -67.9 -9.4 48.3 43.0 54.5 234 234 A S H 3> S+ 0 0 0 -5,-0.4 4,-3.1 -4,-0.3 3,-0.3 0.783 77.2 73.6 -64.5 -24.0 46.2 45.7 56.2 235 235 A G H <> S+ 0 0 2 -3,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.818 88.8 58.0 -59.1 -30.9 49.1 45.8 58.6 236 236 A I H <> S+ 0 0 0 -3,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.908 113.1 38.0 -66.2 -42.0 51.3 47.5 56.0 237 237 A I H X S+ 0 0 0 -4,-0.7 4,-2.6 -3,-0.3 -2,-0.2 0.879 113.5 55.8 -76.7 -39.7 48.8 50.4 55.7 238 238 A N H X S+ 0 0 1 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.909 108.0 49.6 -59.0 -42.1 48.0 50.4 59.5 239 239 A K H X S+ 0 0 23 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.921 109.7 51.3 -63.4 -42.9 51.7 50.9 60.2 240 240 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.916 110.9 48.5 -59.6 -43.5 51.9 53.7 57.7 241 241 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.900 110.3 51.1 -63.7 -42.2 48.9 55.4 59.4 242 242 A Y H X>S+ 0 0 56 -4,-2.5 4,-3.2 -37,-0.3 5,-0.6 0.918 111.4 48.3 -61.3 -43.7 50.4 54.9 62.8 243 243 A L H X5S+ 0 0 3 -4,-2.6 4,-1.8 3,-0.2 -2,-0.2 0.905 108.0 54.2 -64.6 -41.8 53.6 56.5 61.6 244 244 A I H <5S+ 0 0 1 -4,-2.4 14,-2.8 -5,-0.2 15,-0.4 0.927 119.3 34.5 -58.4 -43.5 51.8 59.5 60.0 245 245 A S H <5S+ 0 0 4 -4,-2.1 14,-2.1 12,-0.3 -2,-0.2 0.953 134.7 20.8 -76.7 -52.7 50.1 60.2 63.3 246 246 A Q H <5S- 0 0 85 -4,-3.2 11,-0.4 -5,-0.2 -3,-0.2 0.689 94.3-145.6 -93.7 -22.4 52.7 59.3 65.9 247 247 A G << + 0 0 11 -4,-1.8 2,-0.2 -5,-0.6 9,-0.2 -0.096 32.0 143.6 79.6 175.9 55.9 59.4 64.0 248 248 A G E -L 255 0E 35 7,-2.4 7,-2.8 -5,-0.1 2,-0.5 -0.773 51.2 -76.1 139.3 175.9 58.9 57.2 64.5 249 249 A T E +L 254 0E 95 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.959 42.0 179.8-115.0 125.0 61.7 55.5 62.6 250 250 A H E > S-L 253 0E 17 3,-2.5 3,-1.9 -2,-0.5 -2,-0.0 -0.989 70.7 -14.5-130.2 121.6 60.8 52.3 60.8 251 251 A Y T 3 S- 0 0 111 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.884 130.6 -51.8 52.9 42.4 63.4 50.2 58.8 252 252 A G T 3 S+ 0 0 69 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.440 114.1 117.2 78.7 -0.6 65.7 53.2 59.0 253 253 A V E < -L 250 0E 38 -3,-1.9 -3,-2.5 59,-0.1 2,-0.4 -0.899 54.7-145.7-105.8 122.8 63.2 55.7 57.7 254 254 A S E -L 249 0E 72 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.701 13.1-169.4 -91.7 135.1 62.2 58.6 60.0 255 255 A V E -L 248 0E 8 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.6 -0.978 17.0-140.5-125.0 131.6 58.8 60.0 60.0 256 256 A V - 0 0 83 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.815 29.4-126.7 -90.5 119.4 57.7 63.2 61.8 257 257 A G - 0 0 30 -2,-0.6 -12,-0.3 -11,-0.4 -11,-0.2 -0.373 22.5-171.7 -67.8 142.8 54.2 62.6 63.3 258 258 A I - 0 0 24 -14,-2.8 4,-0.4 1,-0.2 -13,-0.2 0.361 45.9-104.5-114.7 2.2 51.4 65.1 62.5 259 259 A G > - 0 0 27 -14,-2.1 4,-1.6 -15,-0.4 -1,-0.2 0.024 28.3 -81.3 95.9 159.0 48.8 63.9 64.9 260 260 A R H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.851 119.8 58.0 -67.4 -39.2 45.5 61.9 64.8 261 261 A D H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.932 110.8 41.9 -60.0 -46.5 43.3 64.8 63.7 262 262 A K H > S+ 0 0 73 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.861 111.2 56.9 -69.5 -34.3 45.3 65.4 60.5 263 263 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.946 109.3 46.8 -59.2 -46.9 45.6 61.7 59.9 264 264 A G H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.903 112.2 49.1 -61.8 -43.5 41.8 61.4 60.0 265 265 A K H X S+ 0 0 110 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.914 112.6 47.9 -64.0 -43.2 41.3 64.4 57.7 266 266 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.938 116.3 41.9 -64.5 -47.6 43.9 63.1 55.2 267 267 A F H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.832 111.8 54.1 -71.9 -30.6 42.4 59.6 55.0 268 268 A Y H X S+ 0 0 32 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.918 111.2 46.4 -68.4 -41.0 38.8 60.7 55.0 269 269 A R H X>S+ 0 0 75 -4,-1.9 4,-2.1 -5,-0.2 5,-0.6 0.910 112.5 49.9 -66.5 -40.9 39.5 62.9 52.0 270 270 A A H X>S+ 0 0 1 -4,-2.1 5,-2.4 1,-0.2 4,-1.6 0.939 113.3 47.4 -61.4 -45.1 41.4 60.2 50.2 271 271 A L H <5S+ 0 0 1 -4,-2.5 -118,-0.4 1,-0.2 -2,-0.2 0.885 120.5 35.3 -62.9 -43.2 38.6 57.7 50.9 272 272 A T H <5S+ 0 0 42 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.632 130.4 26.4 -90.4 -14.8 35.8 60.1 49.7 273 273 A Q H <5S+ 0 0 122 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.729 128.1 20.5-120.1 -30.1 37.5 61.9 46.9 274 274 A Y T < - 0 0 61 -2,-0.1 3,-1.6 -122,-0.1 -120,-0.1 -0.760 40.7 -88.4-127.0 173.6 38.1 53.8 43.6 277 277 A P T 3 S+ 0 0 63 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.801 125.2 37.2 -55.6 -31.1 36.9 50.2 43.8 278 278 A T T 3 S+ 0 0 95 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.170 80.7 143.8-110.1 19.4 40.2 48.7 42.4 279 279 A S < - 0 0 4 -3,-1.6 -115,-0.2 -126,-0.1 2,-0.2 -0.299 32.6-157.5 -59.3 137.4 42.8 51.1 44.1 280 280 A N > - 0 0 61 -119,-0.1 4,-1.9 -120,-0.1 5,-0.2 -0.476 36.1 -86.7-106.4-177.8 46.0 49.4 45.1 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.898 126.8 52.3 -57.3 -44.4 48.6 50.4 47.7 282 282 A S H > S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 110.8 48.3 -60.7 -38.9 50.5 52.6 45.3 283 283 A Q H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.820 107.1 55.8 -72.3 -29.6 47.3 54.4 44.4 284 284 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.907 106.2 52.0 -67.1 -40.4 46.5 54.8 48.0 285 285 A R H X S+ 0 0 37 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.944 111.2 46.4 -59.4 -47.7 49.8 56.5 48.5 286 286 A A H X S+ 0 0 60 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.892 113.0 50.1 -61.4 -40.5 49.1 58.9 45.6 287 287 A A H X S+ 0 0 7 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.901 111.7 47.6 -65.2 -41.8 45.6 59.6 47.0 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.896 112.7 48.7 -66.7 -41.1 47.0 60.3 50.5 289 289 A V H X S+ 0 0 25 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.918 112.7 47.8 -65.3 -42.9 49.6 62.6 49.1 290 290 A Q H X S+ 0 0 86 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.898 111.8 50.9 -65.1 -39.2 47.1 64.5 47.0 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.920 110.8 46.9 -64.4 -45.1 44.7 64.8 49.9 292 292 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.5 0.869 112.5 52.3 -64.5 -34.9 47.4 66.2 52.2 293 293 A T H X S+ 0 0 37 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.930 108.1 49.8 -65.9 -45.9 48.4 68.6 49.3 294 294 A D H < S+ 0 0 63 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.904 120.7 36.3 -57.8 -43.6 44.8 69.8 48.9 295 295 A L H < S+ 0 0 73 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.831 135.4 13.5 -81.9 -36.2 44.5 70.4 52.7 296 296 A Y H < S- 0 0 62 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.496 106.4 -97.4-124.0 -5.1 48.0 71.7 53.7 297 297 A G >< - 0 0 30 -4,-2.0 3,-1.8 -5,-0.5 6,-0.4 0.137 33.4 -88.6 99.2 144.9 49.9 72.6 50.5 298 298 A S T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.739 126.0 46.2 -59.9 -26.5 52.5 70.7 48.4 299 299 A T T 3 S+ 0 0 139 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.173 89.7 122.5-103.1 18.0 55.4 72.0 50.5 300 300 A S S <> S- 0 0 18 -3,-1.8 4,-1.7 1,-0.1 5,-0.1 -0.326 72.7-122.8 -79.3 161.0 53.8 71.3 53.9 301 301 A Q H > S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.835 112.4 62.7 -68.3 -32.0 55.2 69.1 56.7 302 302 A E H > S+ 0 0 26 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 104.3 44.4 -59.7 -45.8 52.0 67.1 56.4 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.2 -11,-0.2 -1,-0.2 0.905 112.1 53.8 -66.3 -40.6 52.7 66.1 52.8 304 304 A A H X S+ 0 0 40 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.912 108.8 48.6 -60.1 -43.6 56.3 65.3 53.7 305 305 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.845 108.3 53.2 -67.2 -35.2 55.2 63.0 56.5 306 306 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.937 111.7 46.3 -65.4 -44.0 52.8 61.1 54.4 307 307 A K H X S+ 0 0 90 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.924 112.9 49.5 -62.9 -45.0 55.5 60.5 51.8 308 308 A Q H X S+ 0 0 77 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.880 108.9 52.9 -62.0 -40.1 58.0 59.4 54.5 309 309 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.924 111.6 44.2 -63.9 -45.9 55.5 57.0 56.1 310 310 A F H <>S+ 0 0 0 -4,-2.0 5,-2.7 1,-0.2 -1,-0.2 0.868 112.4 53.1 -68.8 -32.6 54.7 55.2 52.9 311 311 A D H ><5S+ 0 0 44 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.913 105.1 56.6 -65.0 -40.1 58.5 55.1 52.1 312 312 A A H 3<5S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.823 110.7 42.2 -60.4 -34.6 59.0 53.5 55.5 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.2 2,-0.1 -1,-0.3 0.305 118.6-110.7 -96.5 8.9 56.6 50.7 54.7 314 314 A G T < 5 + 0 0 14 -3,-1.4 2,-0.7 1,-0.2 -3,-0.2 0.701 68.4 141.7 74.3 22.1 58.0 50.3 51.2 315 315 A V < 0 0 4 -5,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.869 360.0 360.0-101.3 113.1 55.0 51.5 49.2 316 316 A K 0 0 155 -2,-0.7 -1,-0.2 -5,-0.1 -5,-0.1 0.771 360.0 360.0-102.9 360.0 56.0 53.6 46.2 317 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 318 1001 A V 0 0 7 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 -21.0 36.4 42.2 62.2 319 1002 A K 0 0 100 -206,-0.3 -206,-0.1 -208,-0.1 -117,-0.0 -0.879 360.0 360.0-143.7 360.0 38.6 39.3 61.4