==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 16-MAY-11 3S2L . COMPND 2 MOLECULE: DIPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,J.CUMMINGS,F.M.RAUSHEL,S.C.ALMO . 393 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15366.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 2 0 1 1 1 4 1 0 2 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 3 2 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 . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 M 0 0 140 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.9 -10.7 -10.7 26.5 2 2 A T > - 0 0 77 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.296 360.0-108.8 -75.4 165.6 -14.5 -11.1 26.4 3 3 A S H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.844 122.2 53.8 -63.3 -32.8 -16.3 -12.9 23.6 4 4 A L H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 108.2 48.1 -67.7 -44.1 -17.6 -9.6 22.3 5 5 A E H > S+ 0 0 89 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.919 113.7 47.9 -60.4 -42.1 -14.0 -8.2 22.2 6 6 A K H X S+ 0 0 58 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.916 107.6 55.9 -64.7 -43.7 -12.9 -11.3 20.4 7 7 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.913 106.8 49.7 -53.8 -45.1 -15.8 -11.0 18.0 8 8 A R H X S+ 0 0 105 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.912 110.3 50.4 -64.3 -39.4 -14.7 -7.4 17.1 9 9 A E H X S+ 0 0 78 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.925 111.1 48.7 -62.1 -44.4 -11.2 -8.6 16.5 10 10 A L H X S+ 0 0 28 -4,-2.8 4,-2.8 1,-0.2 3,-0.4 0.901 110.1 51.8 -62.2 -40.7 -12.4 -11.4 14.2 11 11 A L H < S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.785 101.1 61.3 -69.2 -27.2 -14.6 -9.0 12.2 12 12 A R H < S+ 0 0 169 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.865 113.9 36.4 -66.7 -32.4 -11.7 -6.6 11.7 13 13 A E H < S+ 0 0 125 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.907 137.0 17.1 -82.9 -46.1 -9.9 -9.4 9.8 14 14 A F S < S- 0 0 55 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.1 -0.819 85.3-166.0-132.0 89.5 -12.9 -11.0 8.1 15 15 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 45,-0.2 -0.115 29.5 -80.6 -76.0 172.6 -15.9 -8.7 8.1 16 16 A V E -a 60 0A 0 43,-2.8 45,-2.4 42,-0.1 46,-1.9 -0.545 26.4-157.8 -74.5 130.9 -19.6 -9.4 7.4 17 17 A V E -a 62 0A 1 341,-2.4 300,-0.7 -2,-0.3 2,-0.4 -0.960 23.2-153.4 -97.7 106.9 -20.8 -9.6 3.8 18 18 A D E -ab 63 317A 0 44,-2.6 46,-2.7 -2,-0.7 300,-0.3 -0.727 8.0-152.3 -90.7 131.9 -24.5 -8.9 4.4 19 19 A G E S+ 0 0 0 298,-2.3 2,-0.2 -2,-0.4 299,-0.2 0.615 72.6 17.5 -77.9 -16.6 -26.9 -10.4 1.9 20 20 A H E + 0 0 0 297,-0.1 300,-1.9 46,-0.1 301,-0.5 -0.732 53.2 162.8-166.3 109.1 -29.8 -8.0 2.0 21 21 A N E -a 65 0A 0 43,-1.4 45,-2.8 -2,-0.2 301,-0.2 -0.999 21.8-156.4-129.2 127.8 -30.3 -4.4 3.3 22 22 A D > + 0 0 10 299,-2.6 4,-2.4 -2,-0.4 3,-0.2 0.014 50.6 127.3 -96.2 27.4 -33.3 -2.3 2.2 23 23 A L H > S+ 0 0 0 298,-0.2 4,-2.7 1,-0.2 5,-0.2 0.885 71.7 56.5 -47.3 -44.7 -31.8 1.1 2.8 24 24 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.942 108.8 45.0 -60.2 -44.5 -32.6 2.2 -0.7 25 25 A W H > S+ 0 0 45 41,-0.3 4,-2.8 -3,-0.2 5,-0.2 0.896 112.0 53.5 -61.9 -39.8 -36.3 1.4 -0.3 26 26 A A H X S+ 0 0 8 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.913 110.2 46.9 -61.2 -41.5 -36.3 3.1 3.1 27 27 A L H X S+ 0 0 1 -4,-2.7 6,-2.0 -5,-0.2 4,-1.7 0.880 111.5 52.0 -67.3 -37.6 -34.9 6.2 1.5 28 28 A R H X S+ 0 0 37 -4,-2.3 4,-1.2 4,-0.3 -2,-0.2 0.947 117.6 37.3 -59.9 -49.0 -37.4 6.0 -1.3 29 29 A E H < S+ 0 0 104 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.881 121.3 41.7 -75.8 -41.0 -40.3 5.8 1.1 30 30 A Q H < S- 0 0 77 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.903 139.7 -0.8 -75.8 -42.1 -39.2 8.2 3.9 31 31 A V H >< S- 0 0 29 -4,-1.7 3,-1.7 -5,-0.3 -3,-0.2 0.195 89.9-113.5-138.0 16.4 -37.7 11.0 1.8 32 32 A R T 3< S- 0 0 134 -4,-1.2 -4,-0.3 1,-0.3 3,-0.1 0.899 83.1 -52.4 40.5 50.2 -38.1 10.1 -1.9 33 33 A Y T 3 S+ 0 0 19 -6,-2.0 2,-1.7 1,-0.2 -1,-0.3 0.676 89.5 150.6 66.4 20.7 -34.3 9.9 -2.2 34 34 A D X - 0 0 85 -3,-1.7 3,-1.5 -7,-0.4 4,-0.4 -0.673 25.4-174.3 -77.2 87.6 -33.6 13.3 -0.7 35 35 A L G > S+ 0 0 4 -2,-1.7 3,-1.0 1,-0.3 -1,-0.2 0.753 73.3 63.5 -67.3 -25.2 -30.3 12.0 0.5 36 36 A D G > S+ 0 0 115 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 0.797 97.9 58.3 -64.6 -28.6 -29.4 15.1 2.5 37 37 A A G < S+ 0 0 40 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.627 120.1 27.2 -77.5 -14.9 -32.4 14.5 4.7 38 38 A R G < S+ 0 0 44 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 -0.182 83.1 179.4-136.0 40.1 -31.1 11.1 5.7 39 39 A D X - 0 0 49 -3,-0.8 3,-1.9 1,-0.2 -3,-0.1 -0.214 18.6-156.1 -53.0 113.0 -27.3 11.6 5.3 40 40 A I T 3 S+ 0 0 2 1,-0.3 12,-2.6 -5,-0.1 13,-0.5 0.526 88.9 73.3 -76.3 -0.0 -25.7 8.3 6.3 41 41 A A T 3 S+ 0 0 66 10,-0.1 -1,-0.3 11,-0.1 2,-0.2 0.508 101.3 54.7 -82.5 -4.4 -22.5 10.2 7.1 42 42 A A S < S- 0 0 51 -3,-1.9 2,-0.7 -4,-0.1 10,-0.2 -0.694 110.4 -75.5-118.1 174.2 -24.5 11.4 10.1 43 43 A D + 0 0 118 -2,-0.2 3,-0.3 1,-0.1 -2,-0.1 -0.595 45.2 171.3 -78.4 112.3 -26.4 9.5 12.8 44 44 A Q >> + 0 0 19 -2,-0.7 4,-2.9 1,-0.2 3,-2.1 0.120 35.5 123.9-106.6 22.0 -29.6 8.2 11.4 45 45 A S T 34 + 0 0 58 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.759 68.8 60.2 -54.9 -29.9 -30.6 6.1 14.4 46 46 A A T 34 S+ 0 0 90 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.725 123.2 16.9 -69.8 -21.4 -33.9 7.9 14.8 47 47 A H T <4 S+ 0 0 91 -3,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.663 121.5 36.5-124.1 -29.8 -35.1 6.9 11.3 48 48 A L < - 0 0 6 -4,-2.9 -1,-0.2 1,-0.1 -4,-0.0 -0.925 56.1-136.8-136.9 154.2 -33.1 4.0 10.0 49 49 A H S S+ 0 0 29 -2,-0.3 285,-2.1 284,-0.1 2,-0.4 0.654 90.8 65.7 -74.5 -19.5 -31.3 0.8 10.9 50 50 A T + 0 0 0 -6,-0.1 2,-0.3 283,-0.1 -3,-0.1 -0.908 47.3 133.6-120.3 131.2 -28.4 1.8 8.7 51 51 A D > - 0 0 1 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.937 59.1 -99.1-153.7 175.9 -25.7 4.5 8.5 52 52 A L H > S+ 0 0 9 -12,-2.6 4,-2.1 -2,-0.3 5,-0.2 0.908 117.8 49.8 -65.6 -42.3 -22.0 4.5 7.9 53 53 A A H > S+ 0 0 67 -13,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.912 113.3 46.5 -64.2 -41.4 -20.8 4.8 11.5 54 54 A R H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.864 108.6 55.5 -70.5 -34.6 -23.1 1.9 12.6 55 55 A L H X>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.6 0.915 111.0 46.0 -58.4 -42.2 -22.0 -0.2 9.6 56 56 A R H ><5S+ 0 0 166 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.940 112.5 48.7 -68.3 -46.2 -18.4 0.2 10.8 57 57 A S H 3<5S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 110.5 53.9 -58.1 -35.7 -19.2 -0.5 14.4 58 58 A G H 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.580 113.0-118.7 -78.9 -10.5 -21.1 -3.6 13.2 59 59 A G T <<5 + 0 0 16 -3,-1.2 -43,-2.8 -4,-0.6 2,-0.6 0.799 52.5 163.5 77.4 29.4 -18.1 -4.9 11.3 60 60 A V E < +a 16 0A 7 -5,-2.4 -1,-0.2 -45,-0.2 -43,-0.2 -0.731 11.1 169.1 -83.1 119.8 -19.9 -4.9 7.9 61 61 A G E + 0 0 10 -45,-2.4 56,-2.4 -2,-0.6 2,-0.3 0.543 67.2 20.1-107.1 -13.5 -17.3 -5.1 5.1 62 62 A A E -ac 17 117A 0 -46,-1.9 -44,-2.6 54,-0.3 2,-0.4 -0.966 64.6-164.8-153.1 144.1 -19.6 -5.7 2.2 63 63 A Q E -ac 18 118A 0 54,-3.1 56,-2.9 -2,-0.3 2,-0.9 -0.991 17.6-148.3-133.3 125.7 -23.2 -5.0 1.6 64 64 A Y E - c 0 119A 6 -46,-2.7 -43,-1.4 -2,-0.4 2,-0.5 -0.856 28.5-149.3 -82.3 109.1 -25.6 -6.3 -1.0 65 65 A W E -ac 21 120A 2 54,-3.0 56,-2.0 -2,-0.9 2,-0.3 -0.727 14.0-126.4 -82.1 123.3 -27.9 -3.2 -1.2 66 66 A S E - c 0 121A 0 -45,-2.8 -41,-0.3 -2,-0.5 56,-0.2 -0.532 18.6-166.8 -71.8 132.7 -31.4 -4.3 -2.1 67 67 A V + 0 0 0 54,-2.8 16,-0.2 -2,-0.3 17,-0.2 -0.074 32.7 163.0-107.1 31.9 -33.0 -2.6 -5.2 68 68 A Y + 0 0 28 53,-0.3 2,-0.3 54,-0.1 56,-0.1 -0.089 13.8 179.6 -40.1 137.8 -36.5 -4.0 -4.2 69 69 A V - 0 0 1 54,-0.5 2,-0.1 55,-0.1 57,-0.1 -0.958 37.8 -86.3-138.1 161.1 -39.6 -2.5 -5.7 70 70 A R > - 0 0 90 -2,-0.3 3,-0.5 1,-0.1 9,-0.1 -0.409 23.3-158.6 -69.3 137.4 -43.2 -3.4 -5.2 71 71 A S T 3 S+ 0 0 41 1,-0.2 -1,-0.1 -2,-0.1 5,-0.1 0.667 89.0 64.8 -84.2 -16.0 -44.7 -6.1 -7.4 72 72 A D T 3 S+ 0 0 94 2,-0.1 -1,-0.2 4,-0.0 -2,-0.1 0.201 95.0 67.4 -96.0 16.2 -48.2 -4.9 -6.8 73 73 A L S < S- 0 0 83 -3,-0.5 3,-0.3 1,-0.0 -4,-0.0 -0.954 85.8-107.7-129.8 152.8 -47.7 -1.5 -8.6 74 74 A P S S+ 0 0 129 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.210 92.9 44.2 -68.7 166.3 -47.1 -0.6 -12.2 75 75 A G > + 0 0 48 3,-0.1 4,-2.6 1,-0.1 5,-0.2 0.793 58.1 156.4 71.8 33.9 -43.7 0.5 -13.5 76 76 A A H > S+ 0 0 17 -3,-0.3 4,-2.3 1,-0.2 5,-0.2 0.848 72.7 53.2 -58.6 -38.1 -41.4 -1.9 -11.6 77 77 A V H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.964 110.4 45.9 -65.5 -48.9 -38.6 -1.5 -14.2 78 78 A T H > S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.935 113.9 49.6 -56.8 -47.0 -38.6 2.2 -13.8 79 79 A A H X S+ 0 0 10 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.878 108.1 53.3 -61.3 -37.8 -38.7 1.9 -10.0 80 80 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.903 107.1 51.7 -64.1 -40.7 -35.8 -0.6 -10.1 81 81 A L H X S+ 0 0 76 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.870 109.1 51.2 -62.5 -35.6 -33.7 1.8 -12.1 82 82 A E H X S+ 0 0 61 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.895 109.7 49.5 -67.2 -39.4 -34.5 4.5 -9.5 83 83 A Q H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.918 111.3 48.8 -64.6 -43.5 -33.4 2.1 -6.7 84 84 A I H X S+ 0 0 13 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.926 109.9 52.5 -60.5 -43.8 -30.1 1.3 -8.6 85 85 A D H X S+ 0 0 84 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.883 105.5 55.3 -60.4 -38.5 -29.6 5.1 -9.1 86 86 A C H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.934 108.6 46.9 -60.2 -45.6 -30.0 5.5 -5.3 87 87 A V H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.919 112.1 51.1 -61.6 -44.4 -27.3 3.0 -4.6 88 88 A R H X S+ 0 0 107 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.914 110.2 49.2 -57.9 -45.9 -25.0 4.7 -7.2 89 89 A R H X S+ 0 0 81 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.895 109.4 51.9 -63.5 -40.9 -25.6 8.1 -5.6 90 90 A L H X S+ 0 0 7 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.931 110.9 47.6 -61.8 -44.6 -24.8 6.7 -2.1 91 91 A I H >< S+ 0 0 16 -4,-2.4 3,-0.5 1,-0.2 7,-0.3 0.931 113.3 48.3 -60.9 -44.9 -21.5 5.3 -3.4 92 92 A D H 3< S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.834 111.0 51.4 -65.9 -32.7 -20.6 8.6 -5.1 93 93 A R H 3< S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.713 117.0 37.4 -75.9 -22.2 -21.5 10.6 -2.0 94 94 A H XX + 0 0 11 -4,-1.2 4,-2.7 -3,-0.5 3,-1.3 -0.392 61.2 150.4-132.4 57.4 -19.3 8.6 0.4 95 95 A P T 34 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.710 73.5 62.8 -65.6 -20.9 -16.1 7.5 -1.4 96 96 A G T 34 S+ 0 0 49 -3,-0.1 -2,-0.1 1,-0.1 3,-0.1 0.820 120.1 22.2 -69.2 -29.1 -14.2 7.5 1.9 97 97 A E T <4 S+ 0 0 65 -3,-1.3 19,-3.0 -6,-0.1 2,-0.3 0.705 119.2 52.3-111.8 -28.8 -16.4 4.7 3.2 98 98 A L E < -d 116 0A 1 -4,-2.7 2,-0.4 -7,-0.3 19,-0.2 -0.886 51.5-172.2-118.4 145.5 -18.0 2.9 0.2 99 99 A R E -d 117 0A 66 17,-2.4 19,-3.0 -2,-0.3 11,-0.1 -0.989 30.2-118.0-134.7 127.9 -16.6 1.2 -2.9 100 100 A A E -d 118 0A 30 -2,-0.4 2,-0.4 17,-0.2 19,-0.2 -0.351 32.5-164.1 -57.9 138.4 -18.7 -0.1 -5.8 101 101 A A + 0 0 2 17,-2.3 19,-0.2 1,-0.1 3,-0.1 -0.988 28.2 160.2-132.4 127.9 -18.2 -3.8 -6.2 102 102 A L + 0 0 74 -2,-0.4 2,-0.3 17,-0.1 -1,-0.1 0.527 69.5 34.4-112.2 -17.2 -19.1 -5.9 -9.2 103 103 A T S > S- 0 0 43 1,-0.1 4,-1.7 267,-0.0 5,-0.1 -0.865 82.3-106.8-137.0 167.7 -16.9 -8.9 -8.6 104 104 A A H > S+ 0 0 4 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.893 121.9 54.7 -61.6 -39.6 -15.4 -11.1 -6.0 105 105 A A H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 104.3 53.8 -61.2 -39.2 -12.0 -9.4 -6.7 106 106 A D H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.868 105.4 54.6 -62.2 -37.4 -13.6 -6.0 -6.1 107 107 A M H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.939 110.5 44.8 -61.6 -44.7 -14.8 -7.3 -2.7 108 108 A E H X S+ 0 0 65 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.886 111.3 53.7 -66.3 -37.4 -11.3 -8.2 -1.7 109 109 A A H X S+ 0 0 31 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.920 109.4 48.5 -62.5 -43.0 -10.0 -4.9 -3.1 110 110 A A H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-0.9 0.933 110.9 50.3 -60.5 -45.4 -12.5 -3.1 -0.9 111 111 A R H ><5S+ 0 0 78 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.903 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131 A S <> - 0 0 38 -3,-1.9 4,-1.9 1,-0.1 -1,-0.2 -0.942 48.6-165.3-123.9 115.0 -37.8 -9.7 -20.5 132 132 A L H > S+ 0 0 6 -2,-0.5 4,-2.3 253,-0.4 -1,-0.1 0.864 96.0 56.0 -65.6 -35.0 -34.4 -11.4 -20.8 133 133 A A H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.864 105.6 52.3 -62.6 -35.6 -32.9 -8.3 -22.3 134 134 A T H > S+ 0 0 32 -6,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.904 106.1 53.2 -67.5 -40.4 -34.0 -6.4 -19.3 135 135 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 -7,-0.2 -2,-0.2 0.933 109.6 49.1 -54.2 -47.4 -32.4 -9.0 -17.0 136 136 A R H X S+ 0 0 53 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.886 108.7 53.2 -63.4 -37.1 -29.2 -8.4 -19.0 137 137 A A H X S+ 0 0 49 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.904 107.2 51.1 -62.6 -42.7 -29.6 -4.6 -18.6 138 138 A L H X>S+ 0 0 2 -4,-2.5 5,-2.5 1,-0.2 4,-0.6 0.917 110.3 49.6 -62.0 -42.2 -29.9 -5.0 -14.8 139 139 A Y H ><5S+ 0 0 46 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.932 108.5 53.1 -59.5 -44.1 -26.7 -7.0 -14.8 140 140 A A H 3<5S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.832 106.3 53.6 -61.5 -31.6 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10,-0.2 0.018 70.0 -46.2-101.2-133.2 -41.1 -11.3 -3.8 151 151 A N S S+ 0 0 66 -2,-0.1 2,-0.3 8,-0.1 8,-0.1 0.624 124.0 53.9 -77.8 -13.5 -44.2 -12.0 -1.7 152 152 A D S S- 0 0 70 10,-0.1 -2,-0.7 8,-0.1 10,-0.1 -0.878 91.2-100.1-119.2 151.1 -46.5 -12.8 -4.7 153 153 A N - 0 0 43 -2,-0.3 2,-0.2 6,-0.2 5,-0.2 -0.290 33.0-154.8 -53.7 149.2 -46.2 -15.2 -7.6 154 154 A N - 0 0 30 3,-2.2 3,-0.4 -4,-0.1 5,-0.1 -0.609 39.7 -86.3-112.0-172.8 -45.0 -13.8 -10.9 155 155 A A S S+ 0 0 53 1,-0.2 18,-0.1 -2,-0.2 17,-0.1 0.764 124.8 27.8 -67.4 -21.3 -45.8 -15.4 -14.3 156 156 A W S S+ 0 0 0 1,-0.2 14,-2.1 16,-0.1 2,-0.3 0.371 118.5 45.7-125.0 1.9 -42.9 -17.8 -14.2 157 157 A A B -J 169 0B 0 -3,-0.4 -3,-2.2 12,-0.2 2,-0.4 -0.996 68.4-127.4-151.6 144.4 -42.1 -18.5 -10.6 158 158 A D - 0 0 2 10,-1.6 35,-2.5 -2,-0.3 2,-0.3 -0.756 20.2-142.1 -96.9 133.9 -44.1 -19.3 -7.4 159 159 A S B > -K 192 0C 3 -2,-0.4 3,-1.2 33,-0.3 33,-0.3 -0.652 15.8-129.7 -91.2 149.2 -43.7 -17.4 -4.1 160 160 A A T 3 S+ 0 0 16 31,-3.0 32,-0.1 -2,-0.3 -1,-0.1 0.747 108.8 52.5 -67.3 -23.1 -43.7 -19.0 -0.7 161 161 A T T 3 S+ 0 0 57 30,-0.5 2,-0.3 -11,-0.3 -1,-0.3 -0.054 104.9 63.9-107.4 30.6 -46.3 -16.5 0.5 162 162 A D S < S- 0 0 65 -3,-1.2 3,-0.1 -10,-0.1 -10,-0.1 -0.865 92.4 -85.8-138.6 171.9 -48.8 -17.1 -2.3 163 163 A E - 0 0 142 -2,-0.3 -4,-0.3 1,-0.2 -10,-0.1 -0.381 63.2 -76.9 -73.4 158.1 -50.9 -20.0 -3.6 164 164 A P + 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 -0.331 60.3 162.8 -55.3 139.6 -49.4 -22.5 -5.9 165 165 A G - 0 0 51 -3,-0.1 -7,-0.1 3,-0.1 -10,-0.1 0.514 69.6 -0.0-121.9 -88.1 -49.2 -21.1 -9.5 166 166 A V S S- 0 0 67 2,-0.3 3,-0.1 4,-0.0 -11,-0.0 0.509 100.4-105.5 -88.8 -5.7 -47.0 -22.7 -12.1 167 167 A G S S- 0 0 44 1,-0.2 2,-0.4 3,-0.0 -10,-0.0 0.622 79.3 -41.0 93.9 17.8 -45.7 -25.3 -9.7 168 168 A G S S+ 0 0 0 30,-0.1 -10,-1.6 31,-0.0 2,-0.4 -0.963 124.4 2.0 133.4-114.1 -42.3 -23.9 -9.1 169 169 A L B -J 157 0B 6 -2,-0.4 -12,-0.2 26,-0.3 2,-0.1 -0.889 68.7-142.1-102.9 138.5 -40.5 -22.5 -12.2 170 170 A S > - 0 0 15 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180 180 A M H X>S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 5,-2.1 0.926 109.9 50.9 -59.6 -42.6 -28.7 -15.6 -14.9 181 181 A N H <5S+ 0 0 5 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.927 111.3 47.5 -60.4 -45.1 -26.2 -18.4 -14.9 182 182 A R H <5S+ 0 0 26 -4,-2.3 195,-0.3 1,-0.2 -1,-0.2 0.896 115.6 44.5 -65.2 -39.3 -24.8 -17.2 -18.3 183 183 A E H <5S- 0 0 26 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.805 112.1-116.1 -71.3 -29.1 -24.6 -13.6 -17.1 184 184 A G T <5 + 0 0 2 -4,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.639 63.9 146.4 91.4 21.9 -23.1 -14.4 -13.7 185 185 A M < - 0 0 3 -5,-2.1 -1,-0.3 -6,-0.2 -40,-0.2 -0.802 51.1-118.9 -89.5 127.4 -26.1 -13.1 -11.7 186 186 A L E -f 145 0A 4 -42,-2.8 -40,-2.0 -2,-0.5 2,-0.6 -0.442 19.4-127.1 -67.3 133.7 -26.7 -15.1 -8.5 187 187 A V E -f 146 0A 1 20,-0.4 22,-3.0 -42,-0.2 2,-0.5 -0.714 24.7-155.6 -78.2 118.6 -30.0 -16.9 -8.3 188 188 A D E -fg 147 209A 0 -42,-2.1 -40,-2.2 -2,-0.6 -39,-0.3 -0.895 14.6-174.4-105.0 124.2 -31.6 -15.8 -5.0 189 189 A L > + 0 0 0 20,-2.9 3,-0.6 -2,-0.5 21,-0.2 0.216 42.6 121.9-107.4 11.9 -34.2 -18.2 -3.5 190 190 A S T 3 S+ 0 0 0 19,-0.2 2,-0.7 1,-0.2 -41,-0.5 -0.376 81.0 17.5 -58.3 154.0 -35.3 -16.2 -0.6 191 191 A H T 3 S+ 0 0 10 32,-0.4 -31,-3.0 21,-0.2 -30,-0.5 0.100 100.1 116.0 70.2 -25.7 -39.1 -15.6 -0.8 192 192 A V B < S-K 159 0C 1 -2,-0.7 -33,-0.3 -3,-0.6 -1,-0.2 -0.368 71.5 -99.2 -80.9 158.4 -39.7 -18.4 -3.3 193 193 A A > - 0 0 15 -35,-2.5 4,-2.4 -25,-0.1 5,-0.1 -0.277 33.0-111.5 -64.9 155.1 -41.8 -21.5 -2.7 194 194 A A H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.863 121.4 56.1 -58.3 -35.2 -40.1 -24.8 -1.8 195 195 A T H > S+ 0 0 58 2,-0.2 4,-2.6 1,-0.2 -26,-0.3 0.932 107.3 48.7 -59.5 -45.1 -41.1 -26.1 -5.2 196 196 A T H > S+ 0 0 0 -28,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.895 108.3 54.9 -62.3 -39.8 -39.4 -23.1 -6.8 197 197 A M H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.926 110.3 45.1 -58.1 -47.4 -36.3 -23.8 -4.7 198 198 A R H X S+ 0 0 79 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.918 113.2 49.5 -67.1 -41.7 -36.1 -27.4 -6.0 199 199 A D H X S+ 0 0 43 -4,-2.6 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