==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAR-11 2YB4 . COMPND 2 MOLECULE: AMIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; . AUTHOR M.W.VETTING,B.HILLERICH,R.FOTI,R.D.SEIDEL,W.D.ZENCHECK,R.TOR . 284 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.4 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 . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 1 1 0 1 3 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 1 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 0 0 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 . 0 0 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 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 2 A A 0 0 31 0, 0.0 258,-2.7 0, 0.0 260,-0.0 0.000 360.0 360.0 360.0 141.7 35.3 8.6 54.0 2 3 A N + 0 0 76 256,-0.2 29,-1.8 27,-0.1 30,-1.1 0.006 360.0 101.2 -91.2 17.8 33.2 7.6 51.0 3 4 A I E -a 32 0A 12 27,-0.2 2,-0.4 28,-0.2 30,-0.2 -0.921 44.2-179.9-102.9 133.5 30.3 9.9 51.7 4 5 A D E +a 33 0A 0 28,-2.1 30,-2.0 -2,-0.4 241,-0.2 -0.879 11.0 165.1-134.5 110.4 29.8 13.3 50.0 5 6 A L + 0 0 0 239,-2.6 2,-0.3 -2,-0.4 240,-0.2 0.173 62.4 61.4-103.8 7.3 26.8 15.4 51.0 6 7 A H + 0 0 0 238,-0.1 241,-2.2 55,-0.1 242,-0.8 -0.815 61.8 114.8-139.8 111.0 27.8 18.8 49.5 7 8 A F B -d 248 0B 0 27,-0.4 29,-2.1 -2,-0.3 2,-0.3 -0.979 40.4-132.9-162.1 164.8 28.4 19.5 45.8 8 9 A H - 0 0 2 240,-2.2 8,-0.3 -2,-0.3 2,-0.2 -0.757 10.2-163.7-122.7 163.2 27.0 21.5 42.9 9 10 A S > > - 0 0 0 -2,-0.3 5,-2.7 5,-0.2 3,-1.7 -0.754 48.6 -82.5-131.9-178.5 26.0 21.1 39.2 10 11 A R T 3 5S+ 0 0 89 6,-1.5 117,-0.4 1,-0.3 116,-0.4 0.600 112.8 85.7 -67.0 -10.6 25.3 23.3 36.2 11 12 A T T 3 5S- 0 0 23 5,-0.3 -1,-0.3 115,-0.1 31,-0.1 0.907 119.2 -9.2 -53.9 -42.1 21.8 23.6 37.6 12 13 A S T < 5S- 0 0 1 -3,-1.7 115,-0.3 28,-0.1 114,-0.2 0.437 131.4 -29.3-118.7 -90.6 23.3 26.5 39.6 13 14 A D T 5S+ 0 0 7 118,-0.1 -3,-0.2 112,-0.1 -5,-0.1 0.387 93.1 110.9-112.6 1.3 27.1 27.2 39.8 14 15 A G < - 0 0 3 -5,-2.7 236,-0.2 2,-0.1 -5,-0.2 -0.361 63.8-135.5 -69.6 159.8 28.9 23.8 39.3 15 16 A A S S+ 0 0 35 234,-2.6 2,-0.4 -7,-0.2 235,-0.1 0.601 84.2 66.7 -88.3 -14.7 30.8 23.2 36.0 16 17 A L S S- 0 0 26 233,-0.6 -6,-1.5 -8,-0.3 -5,-0.3 -0.858 84.8-116.1-112.7 143.2 29.4 19.7 35.5 17 18 A T > - 0 0 31 -2,-0.4 4,-2.9 -8,-0.3 5,-0.3 -0.161 40.3 -99.1 -64.6 166.5 25.8 18.6 34.8 18 19 A P H > S+ 0 0 7 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.922 126.7 46.6 -57.6 -43.9 24.0 16.5 37.4 19 20 A T H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.913 114.1 48.8 -61.7 -43.3 24.8 13.3 35.5 20 21 A E H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 110.9 47.7 -63.9 -45.8 28.4 14.3 35.0 21 22 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.877 113.4 49.0 -66.8 -36.3 29.1 15.3 38.6 22 23 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.927 111.7 48.9 -66.1 -44.4 27.5 12.0 39.8 23 24 A D H X S+ 0 0 52 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.865 111.1 50.7 -64.6 -36.6 29.6 10.0 37.3 24 25 A R H >< S+ 0 0 90 -4,-2.4 3,-0.9 1,-0.2 4,-0.3 0.948 112.0 46.2 -62.5 -51.4 32.7 11.8 38.5 25 26 A A H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.844 103.0 66.7 -56.7 -37.7 31.9 11.0 42.1 26 27 A A H >< S+ 0 0 23 -4,-2.2 3,-2.3 1,-0.3 -1,-0.2 0.781 84.2 70.7 -59.2 -31.4 31.2 7.4 41.1 27 28 A A T << S+ 0 0 89 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.735 95.5 56.7 -57.4 -21.5 34.8 6.9 40.2 28 29 A R T < S- 0 0 104 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.306 110.2-122.1 -93.6 5.3 35.5 7.0 44.0 29 30 A A < - 0 0 75 -3,-2.3 -3,-0.1 1,-0.1 2,-0.1 0.954 40.0-164.5 52.0 58.5 33.0 4.2 44.8 30 31 A P - 0 0 13 0, 0.0 -27,-0.2 0, 0.0 -1,-0.1 -0.465 24.4-152.4 -76.2 146.5 30.9 6.4 47.2 31 32 A A S S+ 0 0 44 -29,-1.8 2,-0.3 1,-0.3 -28,-0.2 0.721 82.3 10.3 -82.3 -27.7 28.5 4.9 49.7 32 33 A L E -a 3 0A 5 -30,-1.1 -28,-2.1 225,-0.1 2,-0.3 -0.982 63.3-174.7-154.6 144.9 26.3 8.0 49.7 33 34 A L E -ab 4 58A 0 24,-1.3 26,-1.9 -2,-0.3 2,-0.4 -0.986 4.9-170.4-139.1 145.7 25.9 11.2 47.7 34 35 A A E - b 0 59A 0 -30,-2.0 2,-0.6 -2,-0.3 -27,-0.4 -0.954 15.1-147.6-137.3 123.9 23.8 14.4 47.9 35 36 A L E - b 0 60A 0 24,-0.7 26,-0.7 -2,-0.4 2,-0.5 -0.770 18.0-177.2 -84.9 117.5 23.6 17.1 45.3 36 37 A T - 0 0 0 -29,-2.1 26,-0.3 -2,-0.6 5,-0.1 -0.724 7.0-172.5-119.6 91.2 23.0 20.4 47.1 37 38 A D > - 0 0 0 -2,-0.5 26,-2.9 24,-0.4 2,-0.6 -0.338 35.0 -93.7 -82.3 155.7 22.6 23.1 44.4 38 39 A H B 3 S-e 63 0C 18 1,-0.2 26,-0.2 24,-0.2 -1,-0.1 -0.589 93.4 -26.6 -78.0 117.1 22.5 26.7 45.4 39 40 A D T 3 S+ 0 0 0 24,-3.0 2,-0.3 -2,-0.6 -1,-0.2 0.622 123.3 75.4 58.3 20.9 18.9 28.0 45.8 40 41 A C < - 0 0 7 -3,-0.5 -3,-0.3 23,-0.2 23,-0.3 -0.991 54.8-160.5-157.3 152.2 17.4 25.4 43.4 41 42 A T > + 0 0 30 -2,-0.3 3,-2.3 41,-0.1 4,-0.4 0.225 57.1 118.7-106.9 5.0 16.4 21.7 43.2 42 43 A G T 3 S+ 0 0 68 1,-0.3 4,-0.3 2,-0.1 3,-0.1 0.619 73.8 48.3 -57.8 -19.1 16.3 21.5 39.4 43 44 A G T 3> S+ 0 0 1 1,-0.1 4,-2.4 -3,-0.1 -1,-0.3 0.437 84.2 93.8 -98.7 1.6 19.0 18.9 39.0 44 45 A L H <> S+ 0 0 3 -3,-2.3 4,-2.6 1,-0.2 5,-0.2 0.872 82.4 49.6 -66.8 -42.4 17.8 16.4 41.6 45 46 A A H > S+ 0 0 84 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.916 115.0 45.3 -63.7 -42.8 15.7 14.1 39.4 46 47 A E H > S+ 0 0 84 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.902 114.4 47.7 -67.2 -42.6 18.6 13.8 36.9 47 48 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.900 110.5 53.1 -64.3 -39.8 21.2 13.2 39.6 48 49 A A H X S+ 0 0 21 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.908 110.6 46.4 -62.7 -43.3 18.9 10.6 41.4 49 50 A A H X S+ 0 0 62 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.889 114.3 48.5 -63.8 -40.1 18.6 8.7 38.1 50 51 A A H X S+ 0 0 8 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.899 113.1 46.8 -67.2 -43.1 22.4 8.9 37.5 51 52 A A H <>S+ 0 0 0 -4,-2.9 5,-3.0 2,-0.2 3,-0.4 0.928 111.9 50.6 -64.3 -48.8 23.2 7.8 41.1 52 53 A A H ><5S+ 0 0 45 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.911 106.5 55.6 -53.5 -45.2 20.7 4.9 40.9 53 54 A R H 3<5S+ 0 0 194 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.816 109.4 46.2 -62.6 -31.5 22.2 3.7 37.6 54 55 A R T 3<5S- 0 0 119 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.316 119.8-111.5 -90.5 4.8 25.7 3.5 39.2 55 56 A G T < 5S+ 0 0 45 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.782 70.1 143.2 69.6 30.4 24.2 1.7 42.2 56 57 A I < - 0 0 8 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.898 52.5-123.4-108.1 122.1 24.8 4.6 44.5 57 58 A P - 0 0 21 0, 0.0 -24,-1.3 0, 0.0 2,-0.3 -0.311 37.1-161.9 -57.6 146.1 22.4 5.6 47.4 58 59 A F E -bC 33 278A 2 220,-2.0 220,-3.3 -26,-0.2 2,-0.4 -0.942 18.5-155.1-138.3 150.6 21.3 9.2 47.0 59 60 A L E -b 34 0A 0 -26,-1.9 -24,-0.7 -2,-0.3 2,-0.2 -0.997 25.9-122.0-127.0 128.9 19.7 12.0 49.0 60 61 A N E +b 35 0A 27 -2,-0.4 19,-2.2 216,-0.4 20,-1.1 -0.501 48.3 165.6 -60.4 133.0 17.8 14.9 47.6 61 62 A G E - F 0 78C 0 -26,-0.7 -24,-0.4 17,-0.2 2,-0.3 -0.846 22.7-179.0-146.2 177.6 19.5 18.1 48.8 62 63 A V E - F 0 77C 0 15,-1.3 15,-2.3 -26,-0.3 2,-0.5 -0.932 23.5-129.6-174.7 158.9 19.8 21.8 48.3 63 64 A E E -eF 38 76C 5 -26,-2.9 -24,-3.0 -23,-0.3 2,-0.5 -0.972 24.1-154.5-128.3 115.8 21.8 24.8 49.6 64 65 A V E - F 0 75C 0 11,-2.5 11,-2.4 -2,-0.5 2,-0.3 -0.777 12.2-130.8-102.6 126.1 19.8 27.8 50.7 65 66 A S E - F 0 74C 1 -2,-0.5 105,-1.5 9,-0.2 2,-0.4 -0.542 31.5-174.4 -70.4 131.8 21.2 31.4 50.8 66 67 A V E -gF 170 73C 0 7,-2.6 7,-2.5 -2,-0.3 2,-0.7 -0.979 24.3-150.5-132.8 137.7 20.5 33.1 54.1 67 68 A S E + F 0 72C 29 103,-2.6 2,-0.6 -2,-0.4 105,-0.3 -0.948 21.0 177.6-104.0 112.9 21.0 36.6 55.5 68 69 A W E > - F 0 71C 26 3,-2.8 3,-2.2 -2,-0.7 2,-0.2 -0.935 63.2 -54.0-118.8 108.1 21.6 36.4 59.2 69 70 A G T 3 S- 0 0 77 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.463 121.8 -20.8 56.5-127.4 22.3 39.8 60.7 70 71 A R T 3 S+ 0 0 195 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.362 124.1 90.9 -88.4 4.7 25.2 41.2 58.7 71 72 A H E < -F 68 0C 22 -3,-2.2 -3,-2.8 123,-0.0 2,-0.6 -0.760 65.8-141.9-108.7 147.0 26.3 37.8 57.5 72 73 A T E +F 67 0C 52 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.940 32.3 173.9 -99.1 122.2 25.5 35.6 54.5 73 74 A V E -F 66 0C 0 -7,-2.5 -7,-2.6 -2,-0.6 2,-0.5 -0.825 25.4-130.2-123.4 166.0 25.3 31.9 55.5 74 75 A H E -F 65 0C 25 115,-0.4 115,-2.9 -2,-0.3 2,-0.7 -0.976 12.3-164.7-122.3 125.0 24.3 28.7 53.7 75 76 A I E -FH 64 188C 0 -11,-2.4 -11,-2.5 -2,-0.5 2,-0.3 -0.918 11.2-155.5-110.5 108.0 21.8 26.2 55.1 76 77 A V E -FH 63 187C 0 111,-2.6 111,-2.5 -2,-0.7 2,-0.4 -0.603 3.4-152.4 -76.9 133.8 21.9 22.9 53.3 77 78 A G E -FH 62 186C 0 -15,-2.3 -15,-1.3 -2,-0.3 2,-0.4 -0.932 11.3-167.7 -98.1 145.9 18.7 20.7 53.4 78 79 A L E +FH 61 185C 0 107,-2.1 107,-2.5 -2,-0.4 -17,-0.2 -0.988 67.4 16.0-133.6 137.7 19.1 16.9 53.2 79 80 A G S S+ 0 0 3 -19,-2.2 -18,-0.2 -2,-0.4 -1,-0.1 0.706 87.5 157.3 75.7 21.1 16.4 14.3 52.5 80 81 A I - 0 0 2 -20,-1.1 -1,-0.2 -3,-0.1 -20,-0.2 -0.384 49.0-126.3 -75.4 154.1 14.0 17.0 51.3 81 82 A D > - 0 0 84 101,-1.7 3,-1.9 98,-0.2 6,-0.1 -0.917 20.6-158.8 -93.7 107.7 11.0 16.5 49.0 82 83 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -41,-0.1 0.735 86.3 62.5 -64.5 -20.1 11.8 19.0 46.3 83 84 A A T 3 S+ 0 0 80 99,-0.1 3,-0.0 4,-0.1 -3,-0.0 0.362 70.0 120.9 -85.6 1.7 8.1 19.1 45.2 84 85 A E <> - 0 0 48 -3,-1.9 4,-2.5 1,-0.1 3,-0.2 -0.582 63.2-138.7 -69.8 125.7 6.9 20.4 48.5 85 86 A P H > S+ 0 0 94 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.853 95.4 51.1 -60.7 -45.0 5.2 23.7 47.7 86 87 A A H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 92,-0.1 0.908 114.9 44.6 -60.9 -41.7 6.4 26.0 50.5 87 88 A L H > S+ 0 0 0 91,-0.3 4,-3.2 -3,-0.2 5,-0.2 0.937 114.0 49.7 -65.7 -47.3 10.0 25.0 49.8 88 89 A A H X S+ 0 0 41 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.906 114.6 43.1 -58.1 -47.1 9.6 25.4 46.0 89 90 A A H X S+ 0 0 61 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.875 113.5 55.1 -66.9 -37.1 8.0 28.8 46.4 90 91 A G H X S+ 0 0 2 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.957 108.7 44.8 -58.3 -54.0 10.7 29.6 49.0 91 92 A L H X S+ 0 0 2 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.873 113.3 53.2 -59.2 -38.1 13.6 28.8 46.7 92 93 A K H X S+ 0 0 135 -4,-1.9 4,-1.1 -5,-0.2 3,-0.3 0.863 102.8 56.5 -65.5 -38.8 11.9 30.7 43.9 93 94 A S H < S+ 0 0 57 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.887 109.7 45.3 -64.2 -36.9 11.5 33.9 46.0 94 95 A I H < S+ 0 0 12 -4,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.653 108.5 55.8 -84.2 -14.0 15.2 34.0 46.6 95 96 A R H >< S+ 0 0 58 -4,-1.0 3,-1.7 -3,-0.3 4,-0.5 0.722 87.8 86.5 -78.2 -23.5 16.2 33.4 43.0 96 97 A E T 3< S+ 0 0 145 -4,-1.1 4,-0.3 1,-0.3 3,-0.2 0.746 90.7 39.3 -52.5 -38.1 14.1 36.3 41.9 97 98 A G T 3> S+ 0 0 8 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.3 0.473 89.1 95.4 -94.6 -1.4 16.7 39.1 42.3 98 99 A R H <> S+ 0 0 4 -3,-1.7 4,-2.5 31,-0.2 -1,-0.2 0.896 84.3 46.1 -57.0 -49.5 19.7 37.1 41.0 99 100 A L H > S+ 0 0 24 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.941 114.5 45.8 -63.2 -47.9 19.6 38.4 37.4 100 101 A E H > S+ 0 0 110 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.902 113.7 51.4 -63.1 -37.9 19.1 42.1 38.3 101 102 A R H X S+ 0 0 13 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.911 109.8 49.7 -60.5 -45.3 21.8 41.7 40.9 102 103 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.846 108.0 52.3 -64.4 -38.9 24.1 40.2 38.3 103 104 A R H X S+ 0 0 133 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.921 112.1 46.4 -61.9 -44.4 23.5 42.9 35.7 104 105 A Q H X S+ 0 0 91 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.871 109.7 53.6 -64.4 -40.4 24.4 45.5 38.4 105 106 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.918 109.4 49.8 -59.3 -43.5 27.5 43.5 39.3 106 107 A G H X S+ 0 0 7 -4,-2.3 4,-1.9 1,-0.2 11,-0.3 0.947 112.4 46.6 -57.5 -47.5 28.4 43.6 35.6 107 108 A A H X S+ 0 0 52 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.846 109.0 54.9 -68.7 -34.3 27.9 47.4 35.6 108 109 A S H X S+ 0 0 41 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.934 108.7 47.5 -63.0 -47.2 29.9 47.9 38.8 109 110 A L H <>S+ 0 0 0 -4,-2.3 5,-3.0 1,-0.2 -2,-0.2 0.866 110.2 54.1 -63.3 -35.6 32.9 46.1 37.4 110 111 A E H ><5S+ 0 0 120 -4,-1.9 3,-2.1 3,-0.2 -2,-0.2 0.935 105.2 51.8 -63.3 -47.1 32.5 48.2 34.2 111 112 A A H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.836 108.6 54.1 -55.9 -32.9 32.6 51.4 36.2 112 113 A A T 3<5S- 0 0 50 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.345 131.8 -93.3 -85.8 3.0 35.8 50.1 37.8 113 114 A G T < 5S+ 0 0 66 -3,-2.1 2,-0.7 1,-0.1 -3,-0.2 0.453 95.3 107.6 103.1 0.8 37.4 49.5 34.4 114 115 A I > < - 0 0 30 -5,-3.0 3,-0.5 -6,-0.1 -2,-0.2 -0.846 50.1-169.7-113.6 101.7 36.5 45.9 33.5 115 116 A A T 3 + 0 0 67 -2,-0.7 -8,-0.1 1,-0.2 -9,-0.0 -0.366 58.7 31.6 -83.7 157.0 33.9 45.8 30.8 116 117 A G T 3> S+ 0 0 44 -2,-0.1 4,-2.6 1,-0.1 -1,-0.2 0.518 71.0 130.0 83.0 7.9 31.9 42.9 29.5 117 118 A C H <> + 0 0 2 -3,-0.5 4,-2.5 -11,-0.3 5,-0.2 0.810 69.9 50.2 -70.1 -34.4 31.7 40.9 32.8 118 119 A F H > S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.949 115.2 44.4 -67.3 -47.3 28.0 40.2 32.8 119 120 A D H > S+ 0 0 94 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.929 115.6 48.5 -57.2 -47.6 28.1 38.9 29.3 120 121 A G H >< S+ 0 0 6 -4,-2.6 3,-0.7 1,-0.2 4,-0.4 0.888 110.7 49.8 -61.4 -42.9 31.2 36.9 30.0 121 122 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.876 105.2 58.9 -61.0 -39.8 29.8 35.4 33.2 122 123 A M H >< S+ 0 0 45 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.681 92.6 66.8 -68.2 -18.9 26.6 34.4 31.3 123 124 A R T << S+ 0 0 194 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.719 105.1 44.9 -70.6 -21.8 28.8 32.3 28.9 124 125 A W T < S+ 0 0 105 -3,-1.6 2,-0.6 -4,-0.4 -1,-0.2 0.390 101.0 84.0 -97.8 -0.5 29.4 30.1 31.9 125 126 A C < - 0 0 10 -3,-0.7 6,-0.1 -4,-0.2 -112,-0.1 -0.916 49.1-176.1-117.1 115.1 25.8 30.0 33.1 126 127 A D S S+ 0 0 81 -2,-0.6 -1,-0.2 -116,-0.4 -115,-0.1 0.872 83.5 42.2 -72.9 -41.3 23.3 27.5 31.6 127 128 A N S > S- 0 0 75 -117,-0.4 3,-2.6 -115,-0.3 -1,-0.2 -0.881 72.5-158.2-114.2 103.7 20.3 28.9 33.6 128 129 A P G > S+ 0 0 60 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.785 89.9 63.5 -49.4 -40.7 20.3 32.7 33.7 129 130 A E G 3 S+ 0 0 106 1,-0.3 -31,-0.2 -31,-0.1 -30,-0.2 0.712 103.8 52.0 -56.7 -23.4 18.1 32.9 36.8 130 131 A M G < S+ 0 0 7 -3,-2.6 -1,-0.3 -118,-0.1 -4,-0.1 0.238 75.5 143.2 -97.8 7.5 20.9 31.2 38.6 131 132 A I < + 0 0 0 -3,-2.4 2,-0.3 -4,-0.1 -29,-0.1 -0.261 27.9 169.1 -50.5 131.4 23.7 33.6 37.5 132 133 A S > - 0 0 5 -120,-0.1 4,-1.4 -11,-0.1 3,-0.5 -0.842 50.8 -91.2-142.6 177.3 26.1 34.0 40.5 133 134 A R H > S+ 0 0 70 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.801 118.5 63.2 -64.9 -30.8 29.5 35.3 41.5 134 135 A T H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 102.3 50.1 -60.5 -42.4 31.2 32.0 40.7 135 136 A H H > S+ 0 0 3 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.902 110.3 50.1 -59.6 -43.5 30.2 32.5 37.1 136 137 A F H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.889 110.0 51.8 -60.7 -41.0 31.7 36.0 37.2 137 138 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.898 106.6 51.9 -66.1 -41.2 34.8 34.6 38.7 138 139 A R H X S+ 0 0 12 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.880 111.6 48.2 -62.2 -39.9 35.3 31.9 36.0 139 140 A H H X S+ 0 0 27 -4,-1.9 4,-3.2 2,-0.2 6,-0.3 0.931 109.4 51.7 -63.6 -47.5 35.0 34.6 33.3 140 141 A L H <>S+ 0 0 0 -4,-2.3 6,-2.3 2,-0.2 5,-1.2 0.873 116.4 40.7 -61.3 -37.7 37.5 36.9 35.0 141 142 A V H ><5S+ 0 0 44 -4,-2.2 3,-1.0 4,-0.2 -1,-0.2 0.957 117.7 46.9 -72.0 -50.2 40.0 34.1 35.2 142 143 A D H 3<5S+ 0 0 109 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.831 111.5 49.3 -63.0 -38.2 39.3 32.7 31.8 143 144 A S T 3<5S- 0 0 64 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.541 116.6-117.2 -80.2 -5.7 39.4 36.1 30.0 144 145 A G T < 5S+ 0 0 59 -3,-1.0 -3,-0.2 -5,-0.3 -2,-0.1 0.542 82.4 119.9 86.3 7.7 42.7 36.7 31.8 145 146 A A S - 0 0 49 1,-0.1 4,-1.7 -4,-0.0 -1,-0.1 -0.884 69.5 -85.0-154.4-176.7 42.7 32.5 39.5 149 150 A M H > S+ 0 0 41 -2,-0.3 4,-1.1 1,-0.2 104,-0.1 0.863 120.6 52.5 -69.0 -38.6 39.5 31.9 41.5 150 151 A R H > S+ 0 0 174 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.928 110.9 47.6 -62.0 -45.6 41.0 32.7 44.9 151 152 A T H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.833 99.7 66.9 -67.5 -36.2 42.3 36.1 43.7 152 153 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.926 105.6 43.1 -48.9 -47.4 39.1 37.1 42.0 153 154 A F H < S+ 0 0 60 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.662 108.0 58.7 -81.6 -16.2 37.4 37.3 45.4 154 155 A R H < S+ 0 0 95 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.910 122.6 24.6 -67.6 -45.8 40.4 39.1 47.0 155 156 A K H < S+ 0 0 118 -4,-2.3 2,-0.3 6,-0.1 -2,-0.2 0.657 128.8 18.7 -93.1 -16.4 40.1 41.9 44.5 156 157 A Y S < S+ 0 0 46 -4,-2.2 7,-0.2 -5,-0.3 -1,-0.1 -0.897 98.8 33.8-150.6 163.9 36.4 41.7 43.5 157 158 A L S S+ 0 0 0 5,-1.9 6,-0.1 -2,-0.3 8,-0.1 0.638 92.5 94.7 61.1 20.4 32.8 40.6 44.1 158 159 A T S > S- 0 0 31 4,-0.2 3,-2.4 6,-0.1 6,-0.3 -0.931 91.8 -61.0-138.3 161.6 33.1 40.9 47.9 159 160 A P T 3 S+ 0 0 90 0, 0.0 6,-0.1 0, 0.0 -1,-0.0 -0.099 123.2 15.6 -51.3 128.6 32.2 43.8 50.3 160 161 A G T 3 S+ 0 0 82 1,-0.3 -3,-0.0 4,-0.1 -4,-0.0 0.304 108.4 96.1 95.0 -7.8 34.2 46.9 49.5 161 162 A K S X S- 0 0 99 -3,-2.4 3,-1.7 1,-0.1 -1,-0.3 -0.787 84.5 -85.3-117.7 158.1 35.4 45.9 46.0 162 163 A P T 3 S+ 0 0 46 0, 0.0 -5,-1.9 0, 0.0 -4,-0.2 -0.326 112.5 29.3 -57.6 136.1 34.1 46.5 42.5 163 164 A G T 3 S+ 0 0 0 1,-0.3 2,-0.6 -7,-0.2 -54,-0.1 0.130 86.2 121.9 100.7 -20.8 31.4 44.0 41.4 164 165 A Y < - 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