==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 11-JAN-02 1KS7 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR M.SENDA,T.SENDA,S.KIDOKORO . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.7 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 . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.4 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 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 85 0, 0.0 2,-0.5 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 165.8 8.2 52.1 65.4 2 2 A T + 0 0 135 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.768 360.0 105.7 -91.2 128.5 6.3 55.3 66.3 3 3 A G - 0 0 37 -2,-0.5 2,-0.5 23,-0.0 22,-0.2 -0.912 66.5 -52.2-170.7-161.9 6.5 56.4 69.9 4 4 A T E -A 24 0A 95 20,-2.4 20,-3.2 -2,-0.3 2,-0.3 -0.850 48.4-124.7-101.9 129.8 7.9 58.8 72.4 5 5 A S E +A 23 0A 70 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.528 45.0 151.3 -73.7 132.3 11.7 59.4 72.7 6 6 A T E -A 22 0A 53 16,-2.6 16,-2.1 -2,-0.3 2,-0.4 -0.812 40.4-107.1-146.1-173.7 13.1 58.8 76.1 7 7 A V E -A 21 0A 76 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.989 28.5-175.6-130.1 127.8 16.3 57.8 77.9 8 8 A G E -A 20 0A 3 12,-3.0 12,-2.0 -2,-0.4 2,-0.3 -0.510 15.8-131.7-109.6-179.6 17.0 54.4 79.6 9 9 A V E +Ab 19 61A 29 51,-1.7 53,-3.1 10,-0.2 2,-0.3 -0.981 32.1 143.3-136.3 147.2 19.9 53.1 81.6 10 10 A G E -Ab 18 62A 0 8,-2.1 8,-2.4 -2,-0.3 2,-0.4 -0.943 41.7 -98.0-163.8-176.0 21.9 49.9 81.5 11 11 A R E -A 17 0A 117 51,-2.2 60,-0.2 -2,-0.3 6,-0.2 -0.966 32.4-140.9-121.1 137.1 25.2 48.1 81.8 12 12 A G > - 0 0 5 4,-2.7 3,-1.8 -2,-0.4 56,-0.2 -0.112 39.2 -81.3 -84.9-174.2 27.5 47.2 78.9 13 13 A V T 3 S+ 0 0 31 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.836 129.5 49.4 -57.0 -38.0 29.6 44.1 78.3 14 14 A L T 3 S- 0 0 87 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.305 122.0-104.1 -87.6 9.2 32.4 45.3 80.5 15 15 A G S < S+ 0 0 46 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.543 73.8 141.3 83.4 7.3 30.0 46.1 83.4 16 16 A D - 0 0 60 1,-0.0 -4,-2.7 -5,-0.0 2,-0.3 -0.621 48.8-126.6 -85.7 141.5 30.0 49.9 82.9 17 17 A Q E +A 11 0A 122 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.679 36.7 163.2 -88.7 138.3 26.7 51.9 83.4 18 18 A K E -A 10 0A 15 -8,-2.4 -8,-2.1 -2,-0.3 2,-0.4 -0.990 36.4-115.1-151.7 156.5 25.6 54.2 80.6 19 19 A N E -A 9 0A 107 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.756 32.0-166.5 -93.6 140.4 22.5 56.0 79.4 20 20 A I E -A 8 0A 3 -12,-2.0 -12,-3.0 -2,-0.4 2,-0.5 -0.964 23.4-114.4-130.0 146.8 20.9 55.0 76.1 21 21 A N E +A 7 0A 41 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.672 44.0 169.9 -81.7 124.1 18.3 56.6 73.8 22 22 A T E -A 6 0A 1 -16,-2.1 -16,-2.6 -2,-0.5 2,-0.4 -0.715 29.1-126.6-127.2 175.7 15.1 54.5 73.6 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.2 -18,-0.2 2,-0.5 -0.996 18.6-143.1-129.4 131.9 11.6 54.9 72.2 24 24 A Y E +AC 4 28A 103 -20,-3.2 -20,-2.4 -2,-0.4 4,-0.2 -0.846 39.8 136.8-103.7 126.2 8.4 54.2 74.2 25 25 A S S S- 0 0 46 2,-2.8 2,-2.7 -2,-0.5 -2,-0.0 -0.566 94.3 -49.2-163.3 84.8 5.3 52.6 72.8 26 26 A T S S+ 0 0 115 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.359 140.2 37.5 76.2 -57.7 3.9 50.0 75.2 27 27 A Y S S- 0 0 116 -2,-2.7 -2,-2.8 -4,-0.1 2,-0.6 -0.664 94.4-111.1-111.2 168.9 7.4 48.6 75.4 28 28 A Y E -CD 24 57A 54 29,-3.3 29,-2.5 -2,-0.2 2,-0.3 -0.931 39.4-159.5-102.8 123.1 10.7 50.5 75.5 29 29 A Y E -CD 23 56A 45 -6,-3.2 2,-2.2 -2,-0.6 -6,-1.9 -0.759 28.5-116.0-106.9 151.7 12.6 49.9 72.3 30 30 A L S S+ 0 0 0 25,-1.9 11,-2.1 11,-0.3 2,-0.4 -0.572 71.6 129.3 -82.0 76.8 16.3 50.2 71.4 31 31 A Q E -E 40 0B 9 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.961 44.6-159.0-136.7 113.6 15.5 52.9 68.9 32 32 A D E +E 39 0B 2 7,-2.7 7,-1.5 -2,-0.4 3,-0.5 -0.863 12.5 177.7 -98.7 109.5 17.4 56.2 69.1 33 33 A N + 0 0 60 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.419 67.2 79.5 -91.2 1.0 15.5 59.0 67.3 34 34 A T S S+ 0 0 88 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.602 85.2 64.0 -84.6 -10.6 18.1 61.7 68.1 35 35 A R S > S- 0 0 48 -3,-0.5 3,-2.3 4,-0.1 -1,-0.1 -0.922 111.1 -65.6-122.8 111.5 20.5 60.7 65.4 36 36 A G T 3 S- 0 0 28 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.212 112.0 -19.0 53.9-136.7 19.6 61.0 61.7 37 37 A N T 3 S- 0 0 107 60,-1.5 -1,-0.3 1,-0.3 62,-0.2 0.287 119.6 -84.0 -85.0 10.1 16.9 58.6 60.6 38 38 A G < - 0 0 1 -3,-2.3 62,-2.4 60,-0.1 2,-0.5 -0.094 27.8-105.6 109.4 155.2 17.6 56.6 63.7 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.7 60,-0.2 2,-0.4 -0.991 35.8-169.7-120.4 123.8 19.7 53.9 65.3 40 40 A F E -Ef 31 101B 23 60,-3.2 62,-2.2 -2,-0.5 2,-0.5 -0.962 7.5-163.3-120.7 132.5 18.0 50.5 65.7 41 41 A T E - f 0 102B 0 -11,-2.1 14,-2.5 -2,-0.4 -11,-0.3 -0.962 11.9-163.9-119.7 129.6 19.3 47.5 67.6 42 42 A Y E -Gf 54 103B 29 60,-3.6 62,-2.5 -2,-0.5 2,-0.6 -0.762 20.2-127.8-113.5 157.2 17.8 44.0 67.1 43 43 A D E -Gf 53 104B 21 10,-2.8 10,-2.0 -2,-0.3 62,-0.2 -0.905 15.2-173.7-102.8 116.3 17.8 40.7 69.0 44 44 A A > - 0 0 4 60,-2.6 3,-2.3 -2,-0.6 5,-0.3 0.501 29.4-142.0 -86.4 -5.8 18.9 37.8 66.7 45 45 A K T 3 - 0 0 112 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.783 61.6 -59.6 49.3 39.8 18.1 35.3 69.5 46 46 A Y T 3 S+ 0 0 109 59,-2.7 -1,-0.3 1,-0.3 60,-0.2 0.550 114.3 112.5 69.2 9.7 21.1 33.0 68.8 47 47 A R S < S- 0 0 175 -3,-2.3 60,-2.3 58,-0.3 -1,-0.3 -0.480 71.2-129.8-102.6 177.0 19.8 32.4 65.2 48 48 A T S S+ 0 0 84 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.342 71.5 111.4-109.8 4.1 21.3 33.4 61.9 49 49 A T S S- 0 0 99 -5,-0.3 -2,-0.2 2,-0.0 58,-0.1 -0.646 70.5 -98.8 -79.3 132.4 18.1 35.0 60.5 50 50 A L S S- 0 0 53 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.849 80.5 -5.9-116.3 152.8 18.5 38.8 60.2 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.990 79.4-165.3 -84.6 -13.2 17.8 41.3 61.5 52 52 A G - 0 0 39 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.796 46.6 -28.4 103.5-150.1 15.7 39.6 64.1 53 53 A S E -G 43 0B 44 -10,-2.0 -10,-2.8 -2,-0.3 -8,-0.1 -0.883 66.5-103.6-110.6 138.3 13.3 41.5 66.3 54 54 A L E -G 42 0B 33 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.320 54.0 -97.0 -55.2 131.1 13.6 45.1 67.3 55 55 A W - 0 0 10 -14,-2.5 -25,-1.9 -25,-0.3 2,-0.4 -0.354 47.8-172.2 -60.8 118.3 14.8 45.1 70.9 56 56 A A E -D 29 0A 46 -2,-0.2 2,-0.4 -27,-0.2 -27,-0.2 -0.926 6.6-177.9-116.3 137.7 11.9 45.5 73.3 57 57 A D E -D 28 0A 22 -29,-2.5 -29,-3.3 -2,-0.4 5,-0.1 -0.991 23.5-143.0-135.3 141.4 12.2 46.0 77.1 58 58 A A S S+ 0 0 74 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.802 94.4 22.5 -75.7 -30.3 9.4 46.3 79.7 59 59 A D S S- 0 0 87 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.376 95.7-113.9-123.6 7.6 11.0 48.9 82.1 60 60 A N S S+ 0 0 18 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.705 82.2 115.8 67.6 20.5 13.6 50.9 80.2 61 61 A Q E -b 9 0A 101 -53,-0.2 2,-0.4 -51,-0.0 -2,-0.3 -0.990 45.1-171.0-122.4 122.8 16.3 49.3 82.5 62 62 A F E +b 10 0A 0 -53,-3.1 -51,-2.2 -2,-0.5 9,-0.1 -0.568 39.9 124.3-117.7 70.1 18.9 47.1 80.8 63 63 A F + 0 0 69 -2,-0.4 2,-0.2 -53,-0.2 -1,-0.1 0.325 39.8 111.6-107.3 4.8 20.9 45.4 83.6 64 64 A A S >> S- 0 0 50 -3,-0.2 3,-1.1 1,-0.1 4,-1.1 -0.512 75.6-122.9 -79.0 148.7 20.4 41.8 82.6 65 65 A S G >4 S+ 0 0 116 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.882 114.8 57.2 -58.3 -35.9 23.4 39.9 81.3 66 66 A Y G 34 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.761 103.7 54.7 -66.1 -24.6 21.4 39.2 78.1 67 67 A D G X> S+ 0 0 17 -3,-1.1 4,-2.3 1,-0.2 3,-0.8 0.768 84.5 86.1 -79.4 -28.0 21.0 42.9 77.6 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.864 113.8 49.4 -60.9 -35.1 25.6 43.3 74.1 70 70 A A H <> S+ 0 0 0 -3,-0.8 4,-2.4 -4,-0.4 5,-0.3 0.902 107.4 54.5 -69.9 -42.2 22.6 45.3 72.9 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 -60,-0.2 5,-0.2 0.942 114.0 40.6 -57.2 -49.1 23.4 48.2 75.3 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.886 113.0 52.1 -70.3 -39.1 26.9 48.5 73.8 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.922 115.3 43.9 -61.9 -41.1 26.0 48.0 70.2 74 74 A H H X S+ 0 0 4 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.948 117.9 43.1 -67.8 -49.9 23.3 50.7 70.5 75 75 A Y H X S+ 0 0 94 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.923 114.9 46.8 -65.2 -47.8 25.5 53.1 72.5 76 76 A Y H X S+ 0 0 12 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.783 106.5 58.1 -69.4 -25.8 28.7 52.8 70.4 77 77 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.901 107.7 50.2 -67.5 -36.9 26.8 53.1 67.1 78 78 A G H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.909 109.2 49.3 -65.4 -43.4 25.6 56.4 68.5 79 79 A V H X S+ 0 0 15 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.907 111.5 49.5 -62.5 -42.4 29.2 57.5 69.4 80 80 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.898 108.8 52.2 -65.1 -40.2 30.4 56.6 66.0 81 81 A Y H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 11,-0.3 0.929 110.0 50.1 -60.4 -43.4 27.6 58.5 64.3 82 82 A D H X S+ 0 0 39 -4,-2.3 4,-3.1 2,-0.2 5,-0.4 0.894 107.6 53.8 -62.0 -41.6 28.6 61.5 66.4 83 83 A Y H X>S+ 0 0 11 -4,-2.3 4,-2.7 1,-0.2 5,-0.7 0.963 111.2 44.1 -57.9 -53.9 32.2 61.2 65.4 84 84 A Y H X5S+ 0 0 5 -4,-2.2 6,-2.5 3,-0.2 4,-0.8 0.863 118.5 44.5 -61.5 -35.8 31.5 61.2 61.7 85 85 A K H X5S+ 0 0 88 -4,-2.1 4,-0.9 4,-0.3 -2,-0.2 0.950 121.0 36.0 -74.5 -49.6 29.0 64.1 62.0 86 86 A N H <5S+ 0 0 93 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.866 128.2 32.5 -73.6 -38.5 31.0 66.4 64.3 87 87 A V H <5S+ 0 0 56 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.860 135.6 19.5 -88.7 -38.5 34.5 65.7 63.0 88 88 A H H < - 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0 0 27 -5,-1.9 -1,-0.3 -6,-0.1 -2,-0.1 -0.678 61.1 -99.2 -90.9 146.2 51.3 40.7 60.5 214 214 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.297 29.3-175.5 -63.9 143.3 53.6 42.5 58.0 215 215 A D S S+ 0 0 14 1,-0.1 2,-0.3 -7,-0.1 18,-0.0 0.105 71.6 46.5-123.2 18.1 54.9 45.9 58.7 216 216 A H S > S- 0 0 38 98,-0.1 3,-1.9 1,-0.1 98,-0.2 -0.966 82.2-120.0-158.2 144.0 56.7 46.4 55.4 217 217 A Y G > S+ 0 0 62 96,-3.0 3,-1.6 -2,-0.3 97,-0.1 0.781 110.5 65.4 -57.8 -29.7 55.6 45.8 51.8 218 218 A S G 3 S+ 0 0 93 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.723 102.4 49.5 -67.1 -19.1 58.5 43.4 51.3 219 219 A K G < S+ 0 0 121 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.198 82.8 138.2-104.5 15.2 56.8 41.1 53.8 220 220 A R < - 0 0 101 -3,-1.6 2,-0.4 1,-0.1 9,-0.1 -0.250 58.0-113.5 -63.4 147.1 53.3 41.2 52.2 221 221 A Y - 0 0 64 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.681 30.1-179.3 -82.7 131.1 51.3 38.0 52.0 222 222 A T + 0 0 108 -2,-0.4 -1,-0.1 -63,-0.0 7,-0.1 0.258 45.4 105.7-115.4 10.4 50.7 36.9 48.4 223 223 A G S S- 0 0 26 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.036 76.5-113.2 -78.8-168.8 48.6 33.8 49.0 224 224 A T S >> S+ 0 0 133 4,-0.1 4,-0.6 3,-0.1 3,-0.5 0.554 76.7 108.5-104.9 -12.0 44.9 33.2 48.5 225 225 A Q H >> S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 3,-1.0 -0.243 79.6 20.6 -65.1 155.4 43.8 32.8 52.1 226 226 A D H 3> S- 0 0 55 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.885 137.4 -60.0 53.2 44.5 41.7 35.5 53.8 227 227 A N H <4 S- 0 0 86 -3,-0.5 -68,-2.2 1,-0.2 -1,-0.3 0.845 114.0 -36.3 53.8 37.2 40.6 36.9 50.4 228 228 A G H << S- 0 0 5 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.743 114.3 -58.9 88.4 23.9 44.3 37.5 49.5 229 229 A G H >X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.1 3,-0.7 0.858 77.0 159.8 74.3 40.2 45.3 38.5 53.1 230 230 A V T 3< S+ 0 0 0 -4,-2.5 4,-0.3 1,-0.3 -64,-0.1 0.834 81.0 40.3 -63.3 -32.2 43.0 41.4 53.7 231 231 A H T 34 S+ 0 0 29 -5,-0.3 -1,-0.3 2,-0.1 -5,-0.1 0.506 120.9 46.8 -91.9 -5.6 43.3 41.2 57.5 232 232 A I T X4 S+ 0 0 44 -3,-0.7 3,-1.7 -6,-0.2 -2,-0.2 0.875 111.9 42.5 -97.7 -57.9 47.0 40.4 57.1 233 233 A N T >X S+ 0 0 8 -4,-2.9 3,-1.2 1,-0.3 4,-0.7 0.581 94.5 82.2 -69.1 -8.9 48.4 43.0 54.7 234 234 A S H 3> S+ 0 0 0 -5,-0.4 4,-2.9 -4,-0.3 3,-0.4 0.787 77.7 73.0 -64.8 -24.3 46.3 45.7 56.4 235 235 A G H <> S+ 0 0 2 -3,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.813 88.9 58.3 -59.4 -30.6 49.2 45.8 58.9 236 236 A I H <> S+ 0 0 0 -3,-1.2 4,-1.3 -4,-0.2 -1,-0.2 0.900 112.7 38.6 -66.5 -40.7 51.3 47.6 56.3 237 237 A I H X S+ 0 0 0 -4,-0.7 4,-2.6 -3,-0.4 -2,-0.2 0.871 113.2 55.6 -77.6 -38.6 48.8 50.4 56.0 238 238 A N H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.910 107.9 49.9 -60.0 -41.4 48.0 50.5 59.7 239 239 A K H X S+ 0 0 23 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.911 109.7 50.9 -63.7 -41.8 51.7 50.9 60.4 240 240 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.914 110.8 48.6 -61.9 -42.2 51.9 53.8 57.9 241 241 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.901 110.3 51.4 -64.3 -41.8 48.9 55.5 59.6 242 242 A Y H X>S+ 0 0 55 -4,-2.4 4,-3.2 -37,-0.3 5,-0.6 0.910 111.0 48.6 -61.1 -43.1 50.5 55.1 63.0 243 243 A L H X5S+ 0 0 3 -4,-2.4 4,-1.9 3,-0.2 -2,-0.2 0.908 107.6 54.2 -65.3 -42.4 53.7 56.6 61.8 244 244 A I H <5S+ 0 0 1 -4,-2.3 14,-2.7 -5,-0.2 15,-0.4 0.925 119.4 34.3 -57.9 -43.6 51.9 59.6 60.2 245 245 A S H <5S+ 0 0 4 -4,-2.0 14,-2.0 12,-0.3 -2,-0.2 0.955 134.9 20.9 -76.8 -52.9 50.2 60.4 63.5 246 246 A Q H <5S- 0 0 93 -4,-3.2 11,-0.4 -5,-0.2 -3,-0.2 0.692 94.0-146.5 -93.1 -22.7 52.8 59.4 66.1 247 247 A G << + 0 0 11 -4,-1.9 2,-0.2 -5,-0.6 9,-0.2 -0.102 31.2 144.5 79.1 176.4 56.0 59.5 64.1 248 248 A G E -L 255 0E 34 7,-2.4 7,-2.9 -4,-0.1 2,-0.5 -0.774 51.1 -76.1 139.5 175.7 59.0 57.3 64.7 249 249 A T E +L 254 0E 95 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.959 42.8 179.4-114.8 122.5 61.8 55.6 62.8 250 250 A H E > S-L 253 0E 19 3,-2.6 3,-1.9 -2,-0.5 -2,-0.0 -0.986 70.4 -14.8-128.1 122.4 60.9 52.4 61.0 251 251 A Y T 3 S- 0 0 113 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.858 130.9 -51.5 53.6 38.5 63.4 50.3 59.0 252 252 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.421 113.9 117.1 83.3 -2.1 65.8 53.3 59.1 253 253 A V E < -L 250 0E 38 -3,-1.9 -3,-2.6 59,-0.1 2,-0.4 -0.892 54.5-145.9-104.8 124.2 63.3 55.8 57.9 254 254 A S E -L 249 0E 70 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.737 13.3-169.6 -93.7 132.3 62.3 58.7 60.2 255 255 A V E -L 248 0E 8 -7,-2.9 -7,-2.4 -2,-0.4 2,-0.6 -0.968 16.9-141.0-122.6 132.3 58.8 60.2 60.2 256 256 A V - 0 0 85 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.825 29.1-127.0 -91.4 118.6 57.7 63.3 62.0 257 257 A G - 0 0 30 -2,-0.6 -12,-0.3 -11,-0.4 -11,-0.2 -0.363 21.9-170.9 -67.7 143.1 54.3 62.8 63.5 258 258 A I - 0 0 25 -14,-2.7 4,-0.4 1,-0.2 -13,-0.2 0.360 46.2-105.3-113.8 1.8 51.5 65.3 62.7 259 259 A G > - 0 0 27 -14,-2.0 4,-1.5 -15,-0.4 -1,-0.2 -0.011 28.6 -79.9 95.9 160.8 48.8 64.0 65.1 260 260 A R H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.846 119.7 57.7 -68.6 -39.5 45.6 62.1 65.0 261 261 A D H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.942 111.0 42.3 -59.8 -47.9 43.3 64.9 63.9 262 262 A K H > S+ 0 0 73 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.860 111.1 56.7 -67.9 -34.2 45.3 65.5 60.7 263 263 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.947 109.2 47.2 -59.8 -46.9 45.7 61.8 60.1 264 264 A G H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.912 112.0 49.0 -61.0 -44.6 41.9 61.6 60.2 265 265 A K H X S+ 0 0 110 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.914 112.3 48.1 -63.0 -43.6 41.4 64.5 57.8 266 266 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.937 116.3 41.6 -64.0 -48.0 43.9 63.2 55.3 267 267 A F H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.840 111.8 54.4 -71.5 -31.7 42.5 59.7 55.2 268 268 A Y H X S+ 0 0 32 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.926 111.3 46.2 -67.0 -41.1 38.9 60.8 55.2 269 269 A R H X>S+ 0 0 76 -4,-1.9 4,-2.1 -5,-0.2 5,-0.6 0.911 112.2 50.4 -66.1 -41.4 39.6 63.0 52.2 270 270 A A H X>S+ 0 0 1 -4,-2.0 5,-2.3 1,-0.2 4,-1.6 0.937 112.9 47.4 -60.9 -45.5 41.5 60.2 50.4 271 271 A L H <5S+ 0 0 1 -4,-2.5 -118,-0.3 1,-0.2 -2,-0.2 0.899 120.0 36.0 -62.4 -44.9 38.6 57.8 51.1 272 272 A T H <5S+ 0 0 39 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.624 130.2 25.5 -88.5 -14.2 35.8 60.1 49.9 273 273 A Q H <5S+ 0 0 118 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.711 128.2 21.4-120.9 -29.2 37.5 61.9 47.0 274 274 A Y T < - 0 0 60 -2,-0.1 3,-1.6 -122,-0.1 -120,-0.1 -0.773 40.9 -88.3-127.4 172.8 38.2 53.8 43.8 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.792 125.2 37.6 -54.3 -31.8 37.0 50.2 44.0 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.227 80.6 143.2-108.3 15.3 40.3 48.8 42.6 279 279 A S < - 0 0 4 -3,-1.6 -115,-0.2 -126,-0.1 2,-0.2 -0.251 32.4-158.8 -56.4 136.8 42.8 51.1 44.3 280 280 A N > - 0 0 61 -119,-0.1 4,-1.9 -120,-0.1 3,-0.2 -0.504 36.7 -86.1-107.9-178.7 46.0 49.4 45.3 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.882 126.7 52.4 -55.8 -43.5 48.7 50.4 47.9 282 282 A S H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 110.7 48.1 -62.0 -38.2 50.6 52.6 45.4 283 283 A Q H > S+ 0 0 90 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.826 107.3 56.1 -72.2 -30.4 47.4 54.5 44.5 284 284 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.910 105.7 51.8 -66.3 -41.1 46.6 54.9 48.2 285 285 A R H X S+ 0 0 38 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.944 111.5 46.7 -58.9 -47.3 49.9 56.6 48.7 286 286 A A H X S+ 0 0 59 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.908 112.8 49.7 -60.9 -42.9 49.1 59.0 45.8 287 287 A A H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.894 111.9 47.7 -63.8 -41.6 45.7 59.6 47.2 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.899 112.6 48.8 -67.1 -41.4 47.0 60.4 50.6 289 289 A V H X S+ 0 0 26 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.926 112.9 47.5 -64.5 -44.1 49.7 62.7 49.3 290 290 A Q H X S+ 0 0 85 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.891 111.7 51.3 -64.0 -39.5 47.2 64.5 47.1 291 291 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.928 110.7 47.0 -63.7 -45.7 44.8 64.9 50.1 292 292 A A H X>S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.5 0.870 111.8 53.0 -64.0 -35.3 47.5 66.3 52.3 293 293 A T H X5S+ 0 0 38 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.924 107.7 50.2 -65.3 -44.6 48.4 68.7 49.5 294 294 A D H <5S+ 0 0 65 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.896 120.2 36.4 -58.9 -42.8 44.8 69.9 49.1 295 295 A L H <5S+ 0 0 73 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.819 135.2 13.3 -83.1 -34.4 44.6 70.5 52.8 296 296 A Y H <5S- 0 0 62 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.506 106.1 -96.1-125.5 -5.7 48.0 71.8 53.8 297 297 A G ><< - 0 0 30 -4,-1.9 3,-1.6 -5,-0.5 6,-0.4 0.093 33.4 -89.8 101.1 145.8 50.0 72.7 50.7 298 298 A S T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.727 125.5 46.7 -62.9 -24.0 52.6 70.8 48.6 299 299 A T T 3 S+ 0 0 138 -3,-0.1 -1,-0.3 -6,-0.1 2,-0.1 0.104 89.4 121.6-105.8 21.9 55.5 72.2 50.7 300 300 A S S <> S- 0 0 19 -3,-1.6 4,-1.7 1,-0.1 5,-0.1 -0.405 72.9-122.2 -84.7 160.8 53.9 71.4 54.1 301 301 A Q H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.839 112.7 62.5 -66.6 -33.0 55.3 69.2 56.9 302 302 A E H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 104.5 44.3 -58.8 -47.5 52.1 67.2 56.5 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.1 -11,-0.2 -1,-0.2 0.902 112.4 53.7 -65.0 -40.4 52.8 66.2 53.0 304 304 A A H X S+ 0 0 41 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.917 108.7 48.9 -60.2 -44.3 56.4 65.4 53.9 305 305 A S H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.853 108.1 53.3 -65.6 -37.0 55.3 63.1 56.7 306 306 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.929 111.5 46.6 -64.3 -43.2 52.8 61.2 54.5 307 307 A K H X S+ 0 0 91 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.921 113.0 48.8 -63.8 -44.7 55.6 60.6 52.0 308 308 A Q H X S+ 0 0 77 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.889 108.7 53.8 -62.6 -40.7 58.1 59.5 54.7 309 309 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.921 111.3 43.9 -61.6 -46.7 55.5 57.1 56.3 310 310 A F H <>S+ 0 0 0 -4,-1.9 5,-2.7 1,-0.2 -1,-0.2 0.848 112.1 53.6 -69.3 -31.6 54.8 55.3 53.1 311 311 A D H ><5S+ 0 0 70 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.915 104.8 56.8 -65.6 -40.5 58.6 55.2 52.3 312 312 A A H 3<5S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.838 110.4 42.3 -59.2 -36.5 59.1 53.6 55.7 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.0 2,-0.1 -1,-0.3 0.287 118.3-110.2 -95.4 10.1 56.7 50.7 54.9 314 314 A G T < 5 + 0 0 29 -3,-1.5 2,-0.7 1,-0.2 -3,-0.2 0.708 68.0 143.5 73.1 22.3 58.1 50.3 51.4 315 315 A V < 0 0 4 -5,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.861 360.0 360.0 -99.9 112.1 55.1 51.6 49.5 316 316 A K 0 0 193 -2,-0.7 -1,-0.2 -3,-0.1 -5,-0.1 0.790 360.0 360.0-102.8 360.0 56.2 53.5 46.4 317 ! 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 1317 A X 0 0 77 0, 0.0 -206,-0.0 0, 0.0 -175,-0.0 0.000 360.0 360.0 360.0 360.0 35.4 39.9 59.8