==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (METALLOPROTEINASE) 11-AUG-95 1ESP . COMPND 2 MOLECULE: NEUTRAL PROTEASE MUTANT E144S; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR S.A.LITSTER,D.R.WETMORE,R.S.ROCHE,P.W.CODDING . 317 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 11.4 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 25 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 32.8 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 0 0 0 0 0 0 0 1 0 2 0 1 0 0 0 0 2 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 1 4 2 1 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 V 0 0 70 0, 0.0 2,-0.4 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 154.7 9.5 19.6 47.6 2 2 A T + 0 0 137 21,-0.1 2,-0.2 2,-0.0 21,-0.0 -0.989 360.0 95.0-126.5 124.7 7.1 22.6 47.5 3 3 A G - 0 0 38 -2,-0.4 2,-0.4 22,-0.1 22,-0.2 -0.837 69.7 -36.2-171.0-149.9 8.3 26.2 48.1 4 4 A T E -A 24 0A 83 20,-2.0 20,-3.0 -2,-0.2 2,-0.1 -0.767 54.9-112.9-101.9 140.8 9.4 29.3 46.3 5 5 A N E +A 23 0A 82 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.459 41.7 176.4 -68.1 141.5 11.4 29.5 43.1 6 6 A K E -A 22 0A 83 16,-2.5 16,-2.2 -2,-0.1 2,-0.5 -0.922 28.3-135.4-141.7 162.7 14.9 30.9 43.6 7 7 A V E +A 21 0A 98 -2,-0.3 14,-0.2 14,-0.2 2,-0.1 -0.930 30.9 178.7-126.4 103.0 18.0 31.4 41.5 8 8 A G E -A 20 0A 6 12,-2.2 12,-2.6 -2,-0.5 2,-0.3 -0.298 19.8-126.6 -93.4-175.5 21.2 30.4 43.2 9 9 A T E +Ab 19 62A 52 52,-1.5 54,-2.8 10,-0.2 2,-0.3 -0.972 31.2 155.5-135.4 146.8 24.8 30.4 42.0 10 10 A G E -Ab 18 63A 0 8,-1.9 8,-3.0 -2,-0.3 2,-0.5 -0.966 38.1-107.2-159.9 171.8 27.4 27.6 41.9 11 11 A K E -A 17 0A 89 52,-2.0 6,-0.2 -2,-0.3 61,-0.2 -0.947 33.3-139.1-114.7 124.0 30.6 26.4 40.2 12 12 A G > - 0 0 4 4,-3.0 3,-2.4 -2,-0.5 57,-0.2 -0.016 38.0 -83.4 -70.6-179.4 30.5 23.5 37.8 13 13 A V T 3 S+ 0 0 27 56,-0.6 57,-0.1 1,-0.3 120,-0.1 0.816 131.2 52.0 -53.0 -35.5 33.0 20.6 37.4 14 14 A L T 3 S- 0 0 91 55,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.137 121.5-106.4 -90.8 18.6 35.1 22.8 35.2 15 15 A G S < S+ 0 0 54 -3,-2.4 2,-0.3 1,-0.2 -2,-0.1 0.631 74.7 138.8 68.6 15.8 35.2 25.6 37.7 16 16 A D - 0 0 43 1,-0.0 -4,-3.0 0, 0.0 2,-0.3 -0.707 55.8-114.0 -95.2 146.3 32.8 27.9 35.8 17 17 A T E -A 11 0A 104 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.596 37.6-179.7 -79.6 133.0 30.1 29.9 37.5 18 18 A K E -A 10 0A 7 -8,-3.0 -8,-1.9 -2,-0.3 2,-0.5 -0.911 28.4-121.4-131.3 155.1 26.5 28.9 36.6 19 19 A S E -A 9 0A 79 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.883 32.4-159.2 -98.3 126.4 23.0 30.2 37.6 20 20 A L E -A 8 0A 1 -12,-2.6 -12,-2.2 -2,-0.5 2,-0.7 -0.849 15.9-137.8-111.4 143.3 20.9 27.5 39.2 21 21 A N E +A 7 0A 34 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.882 38.4 166.8 -97.6 114.5 17.1 27.3 39.6 22 22 A T E -A 6 0A 1 -16,-2.2 -16,-2.5 -2,-0.7 2,-0.4 -0.681 31.6-123.3-121.4 176.0 16.4 26.1 43.1 23 23 A T E -AC 5 30A 0 7,-1.9 7,-2.9 -18,-0.2 2,-0.6 -0.980 16.6-141.0-125.2 136.6 13.4 25.8 45.4 24 24 A L E +AC 4 29A 42 -20,-3.0 -20,-2.0 -2,-0.4 2,-0.4 -0.886 29.0 161.1-103.3 118.1 13.2 27.4 48.9 25 25 A S E > - C 0 28A 24 3,-2.6 3,-1.6 -2,-0.6 2,-0.3 -0.980 65.0 -33.1-137.5 121.9 11.4 25.3 51.5 26 26 A G T 3 S- 0 0 79 -2,-0.4 -2,-0.0 1,-0.2 -23,-0.0 -0.532 123.4 -31.2 70.3-127.6 11.9 26.0 55.2 27 27 A S T 3 S+ 0 0 109 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.2 -0.010 123.6 83.4-112.7 26.8 15.5 27.2 55.7 28 28 A S E < -C 25 0A 35 -3,-1.6 -3,-2.6 32,-0.1 2,-0.5 -0.939 63.7-143.2-133.3 153.1 16.9 25.2 52.8 29 29 A Y E -CD 24 58A 45 29,-2.9 29,-2.8 -2,-0.3 2,-0.3 -0.957 21.7-156.8-113.8 129.8 17.2 25.4 49.1 30 30 A Y E -CD 23 57A 53 -7,-2.9 2,-2.5 -2,-0.5 -7,-1.9 -0.821 28.6-112.1-110.2 149.8 16.8 22.3 47.0 31 31 A L S S+ 0 0 0 25,-2.0 11,-1.3 -2,-0.3 2,-0.4 -0.482 72.9 130.0 -76.9 73.5 18.1 21.4 43.5 32 32 A Q E -E 41 0B 8 -2,-2.5 2,-0.5 9,-0.2 9,-0.2 -0.998 46.5-152.9-132.6 123.9 14.6 21.4 42.1 33 33 A D E +E 40 0B 2 7,-2.2 7,-1.3 -2,-0.4 -10,-0.1 -0.888 22.6 165.5-101.0 123.5 13.7 23.4 39.0 34 34 A N + 0 0 55 -2,-0.5 -1,-0.1 -12,-0.2 5,-0.1 0.268 58.3 87.6-117.3 7.3 10.0 24.6 38.7 35 35 A T S S+ 0 0 75 3,-0.1 2,-0.2 -14,-0.0 -1,-0.1 0.606 81.6 61.2 -84.4 -12.6 10.6 27.1 35.9 36 36 A R S S- 0 0 52 2,-0.3 4,-0.0 -3,-0.1 43,-0.0 -0.633 94.3 -99.1-113.9 171.6 10.1 24.7 33.0 37 37 A G S S+ 0 0 48 -2,-0.2 2,-0.4 1,-0.1 55,-0.1 0.625 113.0 42.6 -61.0 -16.6 7.5 22.4 31.6 38 38 A A S S- 0 0 2 41,-0.1 -2,-0.3 63,-0.0 2,-0.2 -0.998 91.9-118.0-132.8 134.0 9.1 19.4 33.3 39 39 A T - 0 0 42 59,-0.4 62,-3.0 -2,-0.4 2,-0.6 -0.522 22.5-147.5 -74.2 139.1 10.5 19.5 36.8 40 40 A I E -Ef 33 101B 0 -7,-1.3 -7,-2.2 -2,-0.2 2,-0.3 -0.939 16.8-176.3-113.5 115.1 14.2 18.9 37.2 41 41 A F E -Ef 32 102B 33 60,-2.1 62,-1.5 -2,-0.6 2,-0.4 -0.851 7.0-165.1-109.0 145.9 15.4 17.1 40.3 42 42 A T E - f 0 103B 0 -11,-1.3 14,-2.3 -2,-0.3 -11,-0.3 -0.998 10.8-169.2-134.3 126.5 19.0 16.4 41.3 43 43 A Y E -Gf 55 104B 26 60,-3.4 62,-2.4 -2,-0.4 2,-0.5 -0.713 18.9-131.1-113.8 166.6 20.0 13.9 44.0 44 44 A D E -Gf 54 105B 20 10,-2.5 10,-2.2 -2,-0.2 62,-0.2 -0.976 9.4-170.5-119.7 123.2 23.1 13.0 45.9 45 45 A A E > - 0 0 3 60,-2.6 3,-1.7 -2,-0.5 5,-0.2 0.353 34.2-134.1 -92.2 3.0 24.0 9.3 46.2 46 46 A K E 3 - 0 0 102 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.814 64.4 -63.0 45.8 38.7 26.7 10.1 48.8 47 47 A N E 3 S+ 0 0 61 59,-2.3 2,-0.3 1,-0.2 -1,-0.3 0.814 108.1 122.3 58.1 38.4 29.1 7.8 46.9 48 48 A R E < S- f 0 107B 157 -3,-1.7 60,-1.6 58,-0.6 2,-1.5 -0.841 75.8-109.9-124.2 158.2 27.1 4.7 47.5 49 49 A S S S+ 0 0 95 -2,-0.3 2,-0.3 58,-0.2 58,-0.1 -0.377 80.6 112.7 -86.0 57.4 25.6 2.3 45.0 50 50 A T - 0 0 73 -2,-1.5 -2,-0.2 -5,-0.2 58,-0.1 -0.893 59.3-105.5-127.3 156.7 22.0 3.4 45.7 51 51 A L S S- 0 0 74 -2,-0.3 71,-0.0 1,-0.1 -2,-0.0 -0.990 79.2 -11.0-142.1 145.1 19.4 5.3 43.7 52 52 A P S S- 0 0 47 0, 0.0 2,-0.2 0, 0.0 53,-0.1 -0.975 82.4-166.5 -88.5 -12.1 18.1 7.9 43.5 53 53 A G - 0 0 30 -10,-0.1 2,-0.4 -8,-0.1 -8,-0.2 -0.582 41.6 -29.8 100.9-166.2 19.6 9.2 46.7 54 54 A T E -G 44 0B 76 -10,-2.2 -10,-2.5 -2,-0.2 2,-0.2 -0.729 65.2-108.1 -94.0 136.4 18.7 12.3 48.7 55 55 A L E -G 43 0B 29 -2,-0.4 -12,-0.3 -12,-0.2 -23,-0.1 -0.449 49.7 -99.5 -61.8 124.9 17.3 15.4 47.0 56 56 A W - 0 0 14 -14,-2.3 -25,-2.0 -2,-0.2 2,-0.4 -0.250 45.9-174.1 -54.2 122.0 20.1 18.0 47.1 57 57 A A E -D 30 0A 53 -27,-0.2 2,-0.3 -2,-0.1 -27,-0.2 -0.947 3.4-175.8-121.3 139.7 19.6 20.5 49.9 58 58 A D E -D 29 0A 25 -29,-2.8 -29,-2.9 -2,-0.4 5,-0.1 -0.955 22.2-145.0-133.8 153.3 21.7 23.6 50.6 59 59 A A S S+ 0 0 76 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.0 0.916 95.1 21.8 -85.0 -47.4 21.7 26.2 53.3 60 60 A D S S- 0 0 105 2,-0.2 -1,-0.1 -31,-0.1 3,-0.1 0.325 97.1-116.0-107.2 7.4 22.7 29.5 51.5 61 61 A N S S+ 0 0 14 1,-0.2 -52,-1.5 -32,-0.1 2,-0.5 0.723 82.1 116.7 65.5 21.6 21.8 28.8 47.9 62 62 A V E -b 9 0A 56 -54,-0.2 2,-0.9 -52,-0.0 3,-0.2 -0.956 45.7-170.4-124.4 109.5 25.4 29.1 47.0 63 63 A F E +b 10 0A 0 -54,-2.8 -52,-2.0 -2,-0.5 9,-0.1 -0.607 40.5 126.0-101.5 71.4 27.0 25.9 45.6 64 64 A N + 0 0 70 -2,-0.9 -1,-0.2 -54,-0.3 2,-0.1 0.436 37.1 112.5-105.2 -2.3 30.7 26.7 45.5 65 65 A A S >> S- 0 0 56 -3,-0.2 3,-1.8 1,-0.1 4,-1.0 -0.454 77.8-119.3 -70.2 146.6 31.9 23.7 47.5 66 66 A A T 34 S+ 0 0 98 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.819 115.2 58.3 -55.1 -33.3 33.9 21.1 45.5 67 67 A Y T 34 S+ 0 0 85 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.748 100.1 59.5 -69.5 -22.2 31.3 18.5 46.3 68 68 A D T X> S+ 0 0 13 -3,-1.8 4,-2.5 1,-0.2 3,-1.0 0.830 81.4 84.9 -75.1 -35.0 28.7 20.7 44.6 69 69 A A H 3X S+ 0 0 16 -4,-1.0 4,-2.0 -3,-0.3 -56,-0.6 0.808 89.6 47.2 -33.8 -58.7 30.4 20.7 41.2 70 70 A A H 3> S+ 0 0 2 -4,-0.4 4,-1.9 -3,-0.2 -1,-0.3 0.884 115.3 47.4 -57.3 -39.5 28.9 17.5 39.9 71 71 A A H <> S+ 0 0 0 -3,-1.0 4,-2.5 -4,-0.5 5,-0.2 0.901 107.5 56.3 -69.5 -42.9 25.4 18.5 41.1 72 72 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 -61,-0.2 -2,-0.2 0.961 113.1 38.6 -53.2 -58.6 25.6 22.0 39.6 73 73 A D H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.4 0.900 114.1 54.2 -61.6 -45.2 26.3 20.8 36.0 74 74 A A H X S+ 0 0 0 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.900 114.8 41.8 -56.8 -41.9 23.9 17.9 36.2 75 75 A H H X S+ 0 0 2 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.936 120.0 42.7 -71.1 -48.4 21.2 20.3 37.3 76 76 A Y H X S+ 0 0 48 -4,-2.9 4,-1.6 -5,-0.2 3,-0.5 0.982 115.7 45.4 -61.8 -62.0 22.1 23.0 34.8 77 77 A Y H X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.806 106.7 59.2 -55.0 -36.3 22.7 20.9 31.7 78 78 A A H X S+ 0 0 2 -4,-1.2 4,-1.7 -5,-0.4 -1,-0.2 0.939 108.2 47.2 -59.9 -43.2 19.6 18.8 32.2 79 79 A G H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.5 -1,-0.2 0.853 110.4 52.3 -65.2 -36.1 17.6 22.0 31.9 80 80 A K H X S+ 0 0 43 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.858 107.1 51.4 -68.0 -37.7 19.6 23.1 28.9 81 81 A T H X S+ 0 0 2 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.866 111.4 49.6 -66.7 -35.2 18.9 19.8 27.1 82 82 A Y H X S+ 0 0 8 -4,-1.7 4,-2.3 -5,-0.2 5,-0.3 0.927 108.3 52.7 -67.5 -45.5 15.2 20.3 27.9 83 83 A D H X S+ 0 0 38 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.892 106.9 53.5 -56.8 -43.6 15.4 23.9 26.5 84 84 A Y H X S+ 0 0 13 -4,-2.2 4,-2.9 1,-0.2 5,-0.4 0.960 112.2 41.5 -57.4 -57.4 16.8 22.7 23.2 85 85 A Y H X S+ 0 0 11 -4,-1.7 6,-1.7 2,-0.2 4,-1.7 0.868 120.1 44.5 -59.5 -40.6 14.1 20.1 22.5 86 86 A K H X S+ 0 0 79 -4,-2.3 4,-1.3 4,-0.3 -2,-0.2 0.955 118.1 42.0 -70.0 -52.1 11.3 22.4 23.7 87 87 A A H < S+ 0 0 68 -4,-3.1 -2,-0.2 -5,-0.3 -3,-0.2 0.921 124.6 35.5 -62.1 -45.8 12.6 25.5 21.9 88 88 A T H < S+ 0 0 74 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.934 138.8 10.8 -77.6 -49.7 13.5 23.7 18.7 89 89 A F H < S- 0 0 41 -4,-1.7 -3,-0.2 -5,-0.4 -2,-0.2 0.374 94.9-119.8-113.1 1.7 10.9 21.0 18.2 90 90 A N < + 0 0 119 -4,-1.3 2,-0.5 -5,-0.4 -4,-0.3 0.894 56.2 160.3 59.7 40.7 8.4 22.1 20.9 91 91 A R - 0 0 14 -6,-1.7 2,-1.3 -9,-0.1 -1,-0.2 -0.844 39.4-139.8 -97.3 129.4 8.8 18.8 22.7 92 92 A N > - 0 0 45 -2,-0.5 6,-2.5 -3,-0.1 5,-0.8 -0.709 62.7 -56.7 -91.1 86.3 7.8 18.7 26.3 93 93 A S T > 5S- 0 0 7 -2,-1.3 3,-2.0 -11,-0.2 -1,-0.1 0.078 89.1 -44.1 68.8 179.7 10.5 16.5 27.9 94 94 A I T 3 5S+ 0 0 19 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.811 142.3 35.8 -49.4 -42.1 11.6 13.0 26.9 95 95 A N T 3 5S- 0 0 60 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.249 107.2-120.4 -98.9 10.4 8.1 11.6 26.6 96 96 A D T < 5S+ 0 0 86 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.807 98.8 88.6 53.9 31.5 6.7 14.8 25.1 97 97 A A S - 0 0 20 -2,-0.2 3,-1.8 1,-0.2 -8,-0.2 -0.295 62.7-139.0 -51.2 118.1 32.8 14.0 37.2 134 134 A L G > S+ 0 0 8 -10,-1.4 3,-0.7 1,-0.3 -1,-0.2 0.471 92.2 74.9 -64.0 -2.0 30.9 13.0 34.1 135 135 A S G 3 S+ 0 0 0 -11,-0.3 -1,-0.3 1,-0.2 -58,-0.2 0.574 76.4 79.4 -85.6 -9.2 28.2 15.7 34.5 136 136 A G G < S+ 0 0 0 -3,-1.8 2,-0.7 1,-0.1 -1,-0.2 0.454 78.1 82.5 -76.6 0.3 30.7 18.3 33.3 137 137 A G <> - 0 0 0 -3,-0.7 4,-1.6 1,-0.2 3,-0.2 -0.889 55.5-173.0-112.6 107.3 30.1 17.2 29.7 138 138 A I H > S+ 0 0 0 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.859 88.4 54.3 -63.4 -36.9 27.0 18.7 28.1 139 139 A D H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 107.2 51.7 -65.6 -34.1 27.4 16.5 24.9 140 140 A V H > S+ 0 0 16 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.871 112.6 45.5 -68.9 -38.7 27.5 13.4 27.1 141 141 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 5,-0.3 0.894 111.9 49.7 -71.2 -46.5 24.2 14.5 28.9 142 142 A G H X S+ 0 0 0 -4,-2.6 4,-1.9 32,-0.2 -2,-0.2 0.923 111.2 53.1 -57.6 -41.7 22.5 15.4 25.6 143 143 A H H X S+ 0 0 14 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.966 110.8 43.8 -55.4 -61.7 23.5 12.0 24.3 144 144 A S H >X S+ 0 0 7 -4,-2.2 4,-1.1 2,-0.2 3,-0.7 0.914 114.0 48.2 -55.3 -46.6 22.1 10.1 27.2 145 145 A L H 3X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.863 107.3 59.4 -68.1 -31.5 18.5 12.1 27.5 146 146 A T H 3X S+ 0 0 1 -4,-1.9 4,-3.0 -5,-0.3 -1,-0.3 0.864 96.5 59.8 -65.6 -33.3 18.3 11.6 23.7 147 147 A H H <>S+ 0 0 0 -4,-3.0 5,-2.9 1,-0.2 3,-1.6 0.863 107.3 56.7 -67.3 -36.3 14.6 7.5 21.3 151 151 A E H 3<5S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.883 109.6 46.4 -61.7 -38.3 13.0 5.1 23.8 152 152 A N T 3<5S+ 0 0 79 -4,-2.0 -1,-0.3 -58,-0.2 -2,-0.2 0.244 127.8 22.9 -88.0 10.9 9.8 7.2 23.6 153 153 A S T < 5S+ 0 0 37 -3,-1.6 -3,-0.1 -5,-0.1 120,-0.1 0.055 132.0 3.6-135.8-107.6 9.9 7.3 19.8 154 154 A S T 5S- 0 0 9 118,-0.7 -3,-0.2 123,-0.1 126,-0.1 0.776 75.3-152.0 -59.0 -32.4 11.6 4.9 17.2 155 155 A N < - 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0 0 23 -5,-2.1 -1,-0.2 -6,-0.2 20,-0.1 -0.808 57.9 -99.1-105.0 144.9 36.3 4.2 14.4 215 215 A P + 0 0 9 0, 0.0 25,-0.2 0, 0.0 3,-0.1 -0.315 32.1 178.8 -59.4 132.2 34.7 3.4 10.9 216 216 A D S S+ 0 0 12 1,-0.2 2,-0.3 -7,-0.1 3,-0.1 0.037 72.0 41.7-120.0 18.8 34.1 6.4 8.7 217 217 A H S > S- 0 0 32 1,-0.1 3,-2.0 98,-0.1 -1,-0.2 -0.881 84.4-118.0-165.5 135.9 32.8 4.3 5.8 218 218 A Y G > S+ 0 0 65 96,-3.4 3,-1.8 1,-0.3 97,-0.1 0.796 111.3 63.1 -45.9 -38.4 30.5 1.3 5.6 219 219 A S G 3 S+ 0 0 80 1,-0.3 -1,-0.3 95,-0.1 96,-0.1 0.849 102.4 50.6 -58.4 -34.5 33.2 -0.9 4.1 220 220 A K G < S+ 0 0 99 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.124 84.6 135.2 -92.4 22.1 35.3 -0.5 7.3 221 221 A R < - 0 0 95 -3,-1.8 2,-0.6 1,-0.1 9,-0.1 -0.346 62.3-108.1 -74.4 152.0 32.5 -1.5 9.6 222 222 A Y - 0 0 94 8,-0.2 2,-0.5 7,-0.1 12,-0.1 -0.691 29.8-170.4 -81.1 118.9 32.9 -3.9 12.6 223 223 A T + 0 0 127 -2,-0.6 2,-0.3 7,-0.0 -1,-0.1 -0.506 44.0 102.5-110.1 64.8 31.2 -7.2 11.8 224 224 A G S S- 0 0 26 -2,-0.5 -64,-0.1 2,-0.2 5,-0.1 -0.889 76.9-111.3-141.3 171.4 31.4 -9.0 15.1 225 225 A S S >> S+ 0 0 121 -2,-0.3 4,-0.9 4,-0.2 3,-0.6 0.773 81.4 105.5 -72.3 -29.4 29.4 -10.1 18.2 226 226 A S H >> S+ 0 0 79 1,-0.2 4,-3.0 2,-0.2 3,-0.9 -0.100 81.5 14.5 -57.0 149.7 31.3 -7.8 20.5 227 227 A D H 3> S- 0 0 64 1,-0.3 4,-2.0 2,-0.2 5,-0.3 0.841 133.3 -60.4 53.9 42.9 29.7 -4.6 21.9 228 228 A N H <4 S- 0 0 68 -3,-0.6 -68,-2.4 1,-0.2 -1,-0.3 0.857 116.4 -33.0 56.7 37.6 26.2 -5.6 20.8 229 229 A G H << S- 0 0 3 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.832 114.5 -58.6 88.1 34.6 27.4 -5.7 17.2 230 230 A G H >X S+ 0 0 1 -4,-3.0 4,-2.8 -5,-0.1 3,-1.9 0.733 80.7 163.2 65.5 28.9 29.9 -2.9 17.4 231 231 A V H 3X S+ 0 0 0 -4,-2.0 4,-0.5 1,-0.3 -64,-0.1 0.823 71.6 43.7 -44.4 -47.7 27.3 -0.4 18.5 232 232 A H H 34 S+ 0 0 60 -5,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.524 120.6 39.5 -81.6 -8.2 29.9 2.2 19.8 233 233 A T H X4 S+ 0 0 30 -3,-1.9 3,-2.1 -6,-0.2 4,-0.3 0.802 109.3 53.9-106.8 -44.2 32.2 1.9 16.9 234 234 A N H >X S+ 0 0 8 -4,-2.8 3,-1.1 1,-0.3 4,-0.7 0.625 90.8 79.4 -66.7 -11.6 30.0 1.6 13.8 235 235 A S H 3X S+ 0 0 0 -4,-0.5 4,-2.8 -5,-0.4 -1,-0.3 0.706 76.9 74.4 -67.8 -18.1 28.3 4.8 15.0 236 236 A G H <> S+ 0 0 2 -3,-2.1 4,-2.7 2,-0.2 -1,-0.3 0.859 88.6 59.8 -62.3 -33.3 31.3 6.6 13.5 237 237 A I H <> S+ 0 0 0 -3,-1.1 4,-1.9 -4,-0.3 -1,-0.2 0.971 111.9 35.5 -59.9 -56.8 29.8 5.8 10.1 238 238 A I H X S+ 0 0 0 -4,-0.7 4,-3.0 1,-0.2 -2,-0.2 0.889 115.3 57.6 -66.7 -37.3 26.5 7.7 10.7 239 239 A N H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.917 106.8 47.7 -58.9 -44.7 28.3 10.4 12.7 240 240 A K H X S+ 0 0 23 -4,-2.7 4,-2.9 -25,-0.2 -1,-0.2 0.927 111.5 51.8 -61.4 -44.0 30.6 11.2 9.8 241 241 A Q H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.930 110.1 48.6 -56.9 -47.8 27.6 11.3 7.5 242 242 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.912 111.2 50.6 -59.7 -44.0 25.9 13.8 10.0 243 243 A Y H X>S+ 0 0 60 -4,-2.6 4,-2.9 -37,-0.3 5,-0.7 0.927 111.2 48.0 -60.1 -47.6 29.1 15.9 10.0 244 244 A L H X5S+ 0 0 4 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.908 109.9 52.0 -61.4 -43.6 29.2 16.0 6.2 245 245 A L H <5S+ 0 0 1 -4,-2.6 14,-3.1 -5,-0.2 15,-0.4 0.859 118.1 38.3 -62.0 -36.1 25.5 16.9 5.9 246 246 A A H <5S+ 0 0 6 -4,-1.9 14,-1.7 12,-0.3 -2,-0.2 0.957 134.4 16.7 -80.0 -54.8 26.0 19.8 8.4 247 247 A N H <5S- 0 0 79 -4,-2.9 11,-0.5 -5,-0.2 -3,-0.2 0.708 97.2-139.3 -94.0 -25.5 29.4 21.2 7.5 248 248 A G E << +L 257 0E 17 -4,-1.6 2,-0.3 -5,-0.7 9,-0.2 0.073 33.0 151.1 81.5 160.8 30.0 19.7 4.1 249 249 A G E -L 256 0E 29 7,-1.7 7,-3.3 -5,-0.1 2,-0.5 -0.905 46.6 -80.0 158.8 174.5 33.3 18.3 2.7 250 250 A T E +L 255 0E 96 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.921 46.5 164.7-107.6 130.6 34.8 15.8 0.3 251 251 A H E > -L 254 0E 18 3,-3.0 3,-1.1 -2,-0.5 -2,-0.1 -0.940 68.0 -10.6-150.3 121.6 35.0 12.2 1.5 252 252 A Y T 3 S- 0 0 109 -2,-0.3 2,-0.8 1,-0.3 3,-0.1 0.916 128.7 -53.8 55.1 47.1 35.6 9.2 -0.7 253 253 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 -0.143 115.2 114.4 84.1 -41.7 35.2 11.2 -3.9 254 254 A V E < -L 251 0E 29 -3,-1.1 -3,-3.0 -2,-0.8 2,-0.6 -0.425 52.9-156.2 -68.4 130.8 31.8 12.6 -2.9 255 255 A T E -L 250 0E 82 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.3 -0.941 11.0-164.5-112.8 110.2 31.7 16.3 -2.2 256 256 A V E -L 249 0E 5 -7,-3.3 -7,-1.7 -2,-0.6 2,-0.6 -0.716 13.9-142.9 -95.6 144.1 28.9 17.4 0.1 257 257 A T E -L 248 0E 115 -2,-0.3 -9,-0.3 -9,-0.2 53,-0.1 -0.946 30.2-121.6-105.4 118.0 27.6 20.9 0.5 258 258 A G - 0 0 30 -2,-0.6 -12,-0.3 -11,-0.5 -11,-0.1 -0.378 20.1-165.3 -63.2 137.9 26.7 21.5 4.1 259 259 A I - 0 0 27 -14,-3.1 4,-0.4 1,-0.2 -13,-0.2 0.346 51.4 -94.9-103.9 4.8 23.1 22.5 4.8 260 260 A G > - 0 0 28 -14,-1.7 4,-1.7 -15,-0.4 -1,-0.2 0.128 27.1 -93.5 95.6 148.3 23.7 23.6 8.4 261 261 A K H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.829 119.7 60.0 -64.3 -35.0 23.3 22.0 11.8 262 262 A D H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 107.4 44.2 -61.8 -46.0 19.8 23.3 12.3 263 263 A K H > S+ 0 0 69 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.896 109.9 58.2 -66.5 -36.9 18.5 21.5 9.2 264 264 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.959 107.6 45.6 -55.2 -54.2 20.4 18.4 10.3 265 265 A G H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.900 112.0 52.3 -56.7 -43.3 18.6 18.3 13.6 266 266 A A H X S+ 0 0 25 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.939 111.6 45.9 -58.5 -49.8 15.2 18.9 11.9 267 267 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.932 117.0 42.3 -60.2 -51.9 15.8 16.0 9.5 268 268 A Y H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.864 112.7 52.7 -67.5 -36.7 17.0 13.5 12.1 269 269 A Y H X S+ 0 0 33 -4,-2.7 4,-1.9 -5,-0.3 5,-0.2 0.966 114.0 43.6 -63.1 -48.2 14.4 14.4 14.7 270 270 A R H X S+ 0 0 77 -4,-2.3 4,-2.5 -5,-0.3 5,-0.3 0.905 114.6 48.9 -62.3 -45.2 11.6 13.9 12.1 271 271 A A H X>S+ 0 0 0 -4,-2.5 5,-3.3 1,-0.2 4,-1.6 0.920 113.7 47.0 -62.0 -42.2 13.1 10.7 10.8 272 272 A N H <5S+ 0 0 5 -4,-2.8 -118,-0.7 3,-0.2 -1,-0.2 0.793 120.9 37.0 -71.5 -28.1 13.5 9.3 14.3 273 273 A T H <5S+ 0 0 35 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.675 131.0 24.5 -97.9 -20.3 10.0 10.3 15.3 274 274 A Q H <5S+ 0 0 122 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.397 133.1 17.5-125.7 1.7 8.0 9.6 12.1 275 275 A Y T <5S+ 0 0 84 -4,-1.6 -3,-0.2 -5,-0.3 -4,-0.1 0.608 90.1 89.6-138.9 -52.4 10.0 7.0 10.2 276 276 A F < - 0 0 13 -5,-3.3 2,-0.2 9,-0.1 -1,-0.1 -0.241 53.5-164.7 -59.1 143.2 12.7 5.0 12.0 277 277 A T > - 0 0 75 -3,-0.0 3,-1.3 -122,-0.0 -123,-0.1 -0.618 38.7 -85.0-117.5-178.3 11.5 1.7 13.5 278 278 A Q T 3 S+ 0 0 109 1,-0.3 -121,-2.3 -2,-0.2 -2,-0.0 0.884 126.5 37.9 -58.3 -42.9 13.1 -0.6 16.1 279 279 A S T 3 S+ 0 0 78 -123,-0.2 -1,-0.3 -117,-0.1 -117,-0.1 0.153 80.3 155.7 -98.8 21.1 15.1 -2.6 13.6 280 280 A T < - 0 0 2 -3,-1.3 -115,-0.2 -126,-0.1 2,-0.2 -0.200 25.4-159.1 -53.4 128.1 16.1 0.3 11.3 281 281 A T > - 0 0 44 -119,-0.1 4,-2.1 -116,-0.1 5,-0.1 -0.462 32.8 -95.5 -99.1 177.0 19.3 -0.5 9.4 282 282 A F H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.935 124.6 46.5 -62.3 -48.9 21.7 2.0 7.8 283 283 A S H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 115.3 48.0 -61.4 -38.1 20.2 1.8 4.3 284 284 A Q H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.844 107.6 55.9 -69.0 -33.3 16.8 2.1 5.8 285 285 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.906 106.6 50.7 -64.4 -39.5 18.1 5.1 7.9 286 286 A R H X S+ 0 0 28 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.948 108.9 51.5 -61.8 -48.4 19.1 6.7 4.6 287 287 A A H X S+ 0 0 61 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.945 113.3 43.6 -53.8 -53.4 15.6 6.1 3.2 288 288 A G H X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.871 112.2 52.0 -61.8 -41.2 13.9 7.7 6.2 289 289 A A H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.893 111.1 47.9 -63.6 -40.1 16.4 10.6 6.3 290 290 A V H X S+ 0 0 26 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.946 112.0 49.2 -65.6 -47.9 15.8 11.4 2.7 291 291 A Q H X S+ 0 0 82 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.892 111.0 50.4 -58.6 -42.9 12.0 11.2 3.1 292 292 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.937 111.1 47.5 -61.8 -47.1 12.1 13.5 6.1 293 293 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.3 0.818 109.6 56.2 -63.7 -29.9 14.2 16.1 4.2 294 294 A A H X S+ 0 0 16 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.926 108.8 45.0 -66.9 -46.2 11.7 15.7 1.3 295 295 A D H < S+ 0 0 69 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.912 119.1 42.7 -62.6 -45.5 8.8 16.6 3.6 296 296 A L H < S+ 0 0 69 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.715 134.1 13.7 -75.7 -26.3 10.7 19.5 5.1 297 297 A Y H < S- 0 0 77 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.435 112.8 -87.7-134.1 2.9 12.2 21.0 2.0 298 298 A G >< - 0 0 33 -4,-2.4 3,-0.6 -5,-0.3 6,-0.4 0.254 36.5 -94.6 96.2 137.2 10.6 19.5 -1.1 299 299 A A T 3 S+ 0 0 63 1,-0.3 2,-0.9 -5,-0.1 -1,-0.1 0.861 122.7 46.4 -50.2 -45.1 11.4 16.3 -3.0 300 300 A N T 3 S+ 0 0 171 -6,-0.1 -1,-0.3 4,-0.1 2,-0.3 -0.519 91.9 129.3-100.9 65.5 13.5 18.1 -5.5 301 301 A S S <> S- 0 0 20 -2,-0.9 4,-1.8 -3,-0.6 5,-0.1 -0.766 71.0-118.4-119.5 165.3 15.6 20.2 -3.1 302 302 A A H > S+ 0 0 74 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.880 115.3 55.8 -65.1 -36.1 19.2 21.0 -2.4 303 303 A E H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.960 105.6 47.6 -61.5 -55.3 18.7 19.4 1.1 304 304 A V H > S+ 0 0 4 -6,-0.4 4,-2.2 -11,-0.2 -1,-0.2 0.885 111.7 53.5 -54.7 -38.7 17.5 16.1 -0.2 305 305 A A H X S+ 0 0 47 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.952 109.0 47.6 -60.7 -49.1 20.4 16.1 -2.6 306 306 A A H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.818 107.6 57.0 -62.5 -33.2 22.9 16.7 0.3 307 307 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.975 109.1 45.1 -62.4 -50.8 21.3 13.9 2.3 308 308 A K H X S+ 0 0 91 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.894 112.4 52.3 -58.9 -42.4 21.9 11.5 -0.5 309 309 A Q H X S+ 0 0 78 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.930 106.3 53.3 -59.5 -49.1 25.5 12.8 -0.9 310 310 A S H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.887 112.1 43.9 -55.0 -45.8 26.3 12.3 2.8 311 311 A F H <>S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 3,-0.4 0.920 112.9 50.8 -69.8 -40.9 25.2 8.7 2.8 312 312 A S H ><5S+ 0 0 34 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.881 105.9 57.9 -63.8 -35.1 27.0 7.9 -0.5 313 313 A A H 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.854 110.9 41.8 -61.7 -38.1 30.1 9.5 0.9 314 314 A V T 3<5S- 0 0 0 -4,-1.2 -96,-3.4 -3,-0.4 -1,-0.3 0.289 123.4-103.0 -94.0 9.1 30.1 7.0 3.9 315 315 A G T < 5S+ 0 0 27 -3,-1.3 2,-0.5 1,-0.3 -3,-0.2 0.586 79.5 128.9 84.7 8.1 29.1 4.1 1.7 316 316 A V < 0 0 5 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.2 -0.856 360.0 360.0 -98.1 132.4 25.4 3.8 2.6 317 317 A N 0 0 146 -2,-0.5 -31,-0.1 -3,-0.1 -30,-0.1 -0.953 360.0 360.0-146.4 360.0 23.2 3.7 -0.4