==== 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 25-FEB-11 2YB1 . 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) . 12630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 69.4 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 . 12 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 30.6 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 1 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 29 0, 0.0 258,-2.3 0, 0.0 260,-0.0 0.000 360.0 360.0 360.0 144.4 35.1 8.5 54.1 2 3 A N + 0 0 78 256,-0.2 29,-2.8 27,-0.1 30,-1.1 -0.126 360.0 99.2 -93.1 23.4 33.1 7.4 51.0 3 4 A I E -a 32 0A 14 27,-0.2 2,-0.3 28,-0.2 30,-0.2 -0.946 45.8-179.1-111.7 135.7 30.2 9.8 51.8 4 5 A D E +a 33 0A 0 28,-2.2 30,-1.8 -2,-0.4 241,-0.2 -0.832 10.0 168.6-140.0 110.6 29.7 13.2 50.2 5 6 A L + 0 0 0 239,-2.9 2,-0.3 -2,-0.3 240,-0.2 0.047 63.8 57.4-103.0 11.9 26.7 15.4 51.2 6 7 A H + 0 0 0 55,-0.1 241,-2.7 238,-0.0 242,-0.8 -0.798 61.6 113.4-146.6 117.1 27.6 18.7 49.6 7 8 A F B -d 248 0B 0 27,-0.3 29,-2.5 240,-0.3 2,-0.2 -0.973 40.9-123.9-168.5 172.8 28.4 19.5 45.9 8 9 A H - 0 0 0 240,-2.3 8,-0.3 -2,-0.3 2,-0.2 -0.754 12.3-168.3-127.9 162.5 27.1 21.4 42.8 9 10 A S > > - 0 0 0 -2,-0.2 5,-2.6 5,-0.2 3,-1.8 -0.778 51.5 -81.4-136.9 179.5 26.1 21.0 39.2 10 11 A R T 3 5S+ 0 0 61 6,-1.8 117,-0.4 1,-0.3 116,-0.3 0.617 114.1 84.8 -64.0 -11.1 25.3 23.3 36.3 11 12 A T T 3 5S- 0 0 18 5,-0.3 -1,-0.3 115,-0.1 31,-0.1 0.892 118.4 -9.2 -57.6 -38.8 21.8 23.7 37.8 12 13 A S T < 5S- 0 0 3 -3,-1.8 115,-0.3 28,-0.1 114,-0.2 0.333 130.2 -29.2-119.6 -94.1 23.4 26.4 39.9 13 14 A D T 5S+ 0 0 4 118,-0.1 -3,-0.2 112,-0.1 2,-0.2 0.289 94.7 109.5-111.8 5.7 27.2 27.1 40.0 14 15 A G < - 0 0 3 -5,-2.6 236,-0.2 2,-0.1 -5,-0.2 -0.513 63.4-137.3 -77.2 155.8 28.9 23.8 39.4 15 16 A A S S+ 0 0 24 234,-2.9 2,-0.3 -2,-0.2 235,-0.1 0.657 82.2 68.9 -84.4 -17.5 30.7 23.1 36.1 16 17 A L S S- 0 0 23 233,-0.6 -6,-1.8 -8,-0.3 -5,-0.3 -0.781 84.2-115.0-106.4 146.0 29.3 19.6 35.6 17 18 A T > - 0 0 39 -2,-0.3 4,-2.9 -8,-0.3 5,-0.3 -0.246 39.6-100.6 -65.1 163.6 25.8 18.5 34.8 18 19 A P H > S+ 0 0 8 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.917 126.8 47.4 -53.3 -42.7 23.9 16.5 37.5 19 20 A T H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.946 113.3 47.8 -64.1 -45.4 24.7 13.3 35.5 20 21 A E H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 111.8 48.1 -64.0 -40.6 28.4 14.2 35.0 21 22 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.903 113.2 47.7 -72.2 -37.9 29.0 15.1 38.7 22 23 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.921 112.0 50.5 -63.8 -44.3 27.4 11.9 39.9 23 24 A D H X S+ 0 0 50 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.867 111.3 48.6 -61.5 -38.1 29.4 9.9 37.4 24 25 A R H >< S+ 0 0 98 -4,-2.0 3,-1.3 1,-0.2 4,-0.4 0.942 111.7 48.4 -67.7 -47.9 32.6 11.6 38.6 25 26 A A H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.881 102.8 65.3 -55.7 -37.9 31.8 11.0 42.2 26 27 A A H >< S+ 0 0 24 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.710 84.1 71.5 -63.6 -22.5 31.1 7.3 41.3 27 28 A A T << S+ 0 0 88 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.777 95.5 55.8 -65.0 -22.7 34.7 6.7 40.4 28 29 A R T < S- 0 0 118 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.312 111.6-122.2 -89.5 5.5 35.4 6.9 44.1 29 30 A A < - 0 0 75 -3,-1.8 -3,-0.1 1,-0.1 -2,-0.1 0.940 39.4-164.3 51.1 56.5 32.9 4.1 44.9 30 31 A P - 0 0 11 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.374 22.5-151.6 -71.0 146.8 30.8 6.4 47.3 31 32 A A S S+ 0 0 45 -29,-2.8 2,-0.3 1,-0.3 -28,-0.2 0.618 81.8 11.2 -88.5 -20.1 28.3 4.8 49.7 32 33 A L E -a 3 0A 6 -30,-1.1 -28,-2.2 225,-0.1 2,-0.3 -0.928 64.1-175.4-157.7 140.0 26.1 7.9 49.8 33 34 A L E -ab 4 58A 0 24,-1.7 26,-2.4 -2,-0.3 2,-0.3 -0.953 5.9-169.8-133.0 150.3 25.8 11.2 47.8 34 35 A A E - b 0 59A 0 -30,-1.8 2,-0.5 -2,-0.3 -27,-0.3 -0.933 14.9-147.0-139.3 121.6 23.6 14.4 48.0 35 36 A L E - b 0 60A 0 24,-0.6 26,-0.7 -2,-0.3 2,-0.3 -0.711 18.0-176.5 -81.3 123.9 23.5 17.1 45.3 36 37 A T - 0 0 0 -29,-2.5 26,-0.2 -2,-0.5 2,-0.1 -0.638 3.2-178.7-127.2 88.8 23.0 20.5 46.9 37 38 A D > - 0 0 2 24,-0.4 26,-2.8 -2,-0.3 3,-0.8 -0.396 39.7 -89.1 -82.3 153.6 22.6 23.2 44.4 38 39 A H B 3 S-e 63 0C 19 1,-0.2 26,-0.2 24,-0.2 -1,-0.1 -0.463 93.6 -28.3 -64.9 123.8 22.1 26.8 45.5 39 40 A D T 3 S+ 0 0 0 24,-2.9 2,-0.3 -2,-0.3 -1,-0.2 0.674 122.2 87.0 52.2 25.9 18.5 27.9 46.0 40 41 A C < - 0 0 17 -3,-0.8 -3,-0.3 23,-0.1 23,-0.3 -0.990 52.5-168.2-157.5 140.1 17.3 25.4 43.5 41 42 A T > + 0 0 32 -2,-0.3 3,-1.9 41,-0.1 4,-0.4 0.200 57.3 115.4-106.3 7.7 16.3 21.7 43.2 42 43 A G T 3 S+ 0 0 61 1,-0.3 4,-0.3 2,-0.1 3,-0.1 0.634 74.8 49.5 -61.0 -16.3 16.2 21.5 39.4 43 44 A G T 3> S+ 0 0 1 1,-0.1 4,-2.5 -3,-0.1 -1,-0.3 0.508 85.4 89.5 -98.7 -4.1 19.1 18.9 39.2 44 45 A L H <> S+ 0 0 4 -3,-1.9 4,-3.0 2,-0.2 5,-0.2 0.874 83.0 51.0 -66.3 -44.3 17.8 16.4 41.7 45 46 A A H > S+ 0 0 85 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.922 115.7 43.6 -60.6 -44.5 15.7 14.1 39.5 46 47 A E H > S+ 0 0 82 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.927 114.4 49.2 -65.1 -47.2 18.6 13.7 37.0 47 48 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.915 110.6 51.7 -58.6 -43.7 21.1 13.2 39.8 48 49 A A H X S+ 0 0 20 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.911 110.8 46.9 -60.3 -44.4 18.9 10.6 41.5 49 50 A A H X S+ 0 0 63 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.903 113.2 49.2 -64.3 -41.6 18.6 8.7 38.2 50 51 A A H X S+ 0 0 9 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.905 113.1 47.2 -65.3 -41.5 22.3 8.9 37.6 51 52 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.6 -5,-0.2 3,-0.8 0.949 111.9 48.9 -64.6 -48.9 23.1 7.7 41.2 52 53 A A H ><5S+ 0 0 45 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.898 106.6 57.1 -58.6 -41.8 20.6 4.8 41.1 53 54 A R H 3<5S+ 0 0 189 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.795 109.6 45.3 -60.2 -29.2 22.0 3.6 37.7 54 55 A R T <<5S- 0 0 121 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.338 120.2-109.3 -96.2 3.1 25.5 3.4 39.3 55 56 A G T < 5S+ 0 0 45 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.757 71.4 141.9 78.2 26.6 24.1 1.6 42.4 56 57 A I < - 0 0 9 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.893 52.6-124.4-110.1 119.3 24.7 4.6 44.7 57 58 A P - 0 0 23 0, 0.0 -24,-1.7 0, 0.0 2,-0.3 -0.282 36.2-161.8 -55.6 145.2 22.3 5.6 47.5 58 59 A F E -bC 33 278A 2 220,-1.8 220,-3.4 -26,-0.2 2,-0.4 -0.971 18.7-157.3-140.6 142.3 21.2 9.2 47.1 59 60 A L E -b 34 0A 0 -26,-2.4 -24,-0.6 -2,-0.3 2,-0.2 -0.988 27.3-120.5-118.2 131.3 19.7 12.0 49.2 60 61 A N E +b 35 0A 26 -2,-0.4 19,-2.3 216,-0.4 20,-1.1 -0.502 46.3 173.9 -58.8 134.3 17.8 15.0 47.7 61 62 A G E - F 0 78C 0 -26,-0.7 -24,-0.4 17,-0.2 2,-0.3 -0.862 22.1-177.1-143.6 168.9 19.6 18.1 48.8 62 63 A V E - F 0 77C 0 15,-1.5 15,-2.4 -2,-0.3 2,-0.5 -0.964 21.8-135.6-159.7 156.8 19.8 21.9 48.4 63 64 A E E -eF 38 76C 0 -26,-2.8 -24,-2.9 -2,-0.3 2,-0.5 -0.946 25.1-155.9-121.2 113.7 21.9 24.8 49.6 64 65 A V E - F 0 75C 1 11,-3.2 11,-2.6 -2,-0.5 2,-0.3 -0.747 11.0-132.8 -99.2 127.4 19.8 27.8 50.8 65 66 A S E - F 0 74C 2 -2,-0.5 105,-1.8 9,-0.2 2,-0.4 -0.608 30.6-177.4 -77.3 130.2 21.2 31.4 50.8 66 67 A V E -gF 170 73C 0 7,-2.5 7,-2.5 -2,-0.3 2,-0.6 -0.975 24.5-150.0-132.6 137.0 20.5 33.2 54.1 67 68 A S E + F 0 72C 26 103,-2.5 2,-0.5 -2,-0.4 105,-0.3 -0.961 19.9 178.0-104.3 119.2 21.1 36.7 55.4 68 69 A W E > - F 0 71C 30 3,-3.2 3,-2.3 -2,-0.6 2,-0.1 -0.950 64.0 -51.9-122.2 108.7 21.6 36.6 59.2 69 70 A G T 3 S- 0 0 78 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.440 121.6 -22.8 55.4-131.0 22.3 40.1 60.5 70 71 A R T 3 S+ 0 0 182 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.403 124.0 94.3 -85.6 2.0 25.2 41.5 58.4 71 72 A H E < -F 68 0C 24 -3,-2.3 -3,-3.2 123,-0.0 2,-0.6 -0.757 65.1-145.6-103.0 140.3 26.3 37.9 57.5 72 73 A T E +F 67 0C 45 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.921 30.0 177.0 -93.5 121.6 25.5 35.7 54.5 73 74 A V E -F 66 0C 0 -7,-2.5 -7,-2.5 -2,-0.6 2,-0.5 -0.867 22.8-134.2-120.9 160.3 25.3 32.1 55.6 74 75 A H E -F 65 0C 25 115,-0.4 115,-2.7 -2,-0.3 2,-0.6 -0.968 13.0-164.7-118.6 127.7 24.4 28.9 53.7 75 76 A I E -FH 64 188C 0 -11,-2.6 -11,-3.2 -2,-0.5 2,-0.3 -0.948 9.9-152.4-114.2 114.8 22.0 26.3 55.1 76 77 A V E -FH 63 187C 0 111,-2.7 111,-2.4 -2,-0.6 2,-0.4 -0.618 3.7-153.4 -79.9 136.1 21.9 22.9 53.4 77 78 A G E -FH 62 186C 0 -15,-2.4 -15,-1.5 -2,-0.3 2,-0.4 -0.969 11.8-170.5-103.7 143.6 18.8 20.8 53.4 78 79 A L E +FH 61 185C 0 107,-2.2 107,-2.5 -2,-0.4 -17,-0.2 -0.983 66.4 17.0-134.2 137.9 19.1 17.0 53.2 79 80 A G S S+ 0 0 5 -19,-2.3 -18,-0.2 -2,-0.4 -1,-0.2 0.710 86.5 157.5 76.1 22.1 16.4 14.4 52.6 80 81 A I - 0 0 2 -20,-1.1 -1,-0.2 -3,-0.2 -20,-0.2 -0.437 47.8-128.4 -76.8 150.9 14.0 17.1 51.4 81 82 A D > - 0 0 88 101,-1.8 3,-1.9 98,-0.2 6,-0.1 -0.907 19.7-159.9 -93.6 107.5 11.0 16.4 49.2 82 83 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -41,-0.1 0.711 85.4 64.7 -68.8 -16.3 11.6 18.9 46.4 83 84 A A T 3 S+ 0 0 78 99,-0.1 -3,-0.0 4,-0.1 99,-0.0 0.536 70.6 119.2 -80.8 -7.0 7.9 18.8 45.4 84 85 A E <> - 0 0 45 -3,-1.9 4,-2.3 1,-0.1 5,-0.2 -0.440 64.0-139.2 -62.6 127.2 6.8 20.3 48.7 85 86 A P H > S+ 0 0 94 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.843 94.2 50.6 -62.9 -42.8 5.0 23.6 47.8 86 87 A A H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.925 113.8 45.6 -64.5 -45.6 6.3 25.9 50.6 87 88 A L H > S+ 0 0 2 91,-0.3 4,-3.0 2,-0.2 5,-0.3 0.939 113.2 50.5 -57.2 -49.8 9.9 25.0 50.0 88 89 A A H X S+ 0 0 42 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 113.6 44.9 -58.4 -44.1 9.5 25.3 46.2 89 90 A A H X S+ 0 0 62 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.894 113.0 51.4 -66.6 -41.2 7.9 28.8 46.6 90 91 A G H X S+ 0 0 4 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.933 110.0 47.9 -63.5 -46.6 10.6 29.9 49.2 91 92 A L H X S+ 0 0 1 -4,-3.0 4,-1.7 1,-0.2 3,-0.2 0.916 110.7 52.5 -60.4 -41.8 13.4 28.9 46.9 92 93 A K H X S+ 0 0 131 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.900 105.6 54.3 -59.8 -40.4 11.8 30.7 44.0 93 94 A S H < S+ 0 0 57 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.831 108.2 50.3 -65.4 -30.8 11.5 33.8 46.1 94 95 A I H < S+ 0 0 11 -4,-1.6 3,-0.4 -3,-0.2 -1,-0.2 0.811 110.2 49.4 -72.9 -33.6 15.3 33.7 46.8 95 96 A R H >< S+ 0 0 56 -4,-1.7 3,-1.8 1,-0.2 4,-0.5 0.738 89.8 87.9 -75.0 -22.5 16.1 33.3 43.1 96 97 A E T 3< S+ 0 0 137 -4,-1.3 4,-0.3 1,-0.3 3,-0.3 0.786 92.0 36.7 -51.4 -44.4 13.9 36.3 42.1 97 98 A G T 3> S+ 0 0 11 -4,-0.4 4,-2.4 -3,-0.4 -1,-0.3 0.401 91.3 96.8 -90.5 3.3 16.4 39.1 42.5 98 99 A R H <> S+ 0 0 14 -3,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.920 83.9 44.0 -63.7 -49.5 19.4 37.1 41.2 99 100 A L H > S+ 0 0 23 -4,-0.5 4,-2.2 -3,-0.3 -1,-0.2 0.924 114.5 50.0 -61.8 -46.9 19.4 38.3 37.6 100 101 A E H > S+ 0 0 112 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.928 110.8 49.7 -55.5 -49.2 18.8 41.9 38.5 101 102 A R H X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.878 109.4 53.4 -58.3 -39.5 21.7 41.8 41.0 102 103 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.880 104.7 51.9 -66.2 -41.1 23.9 40.3 38.4 103 104 A R H X S+ 0 0 136 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.905 112.2 48.5 -61.3 -38.4 23.3 43.0 35.8 104 105 A Q H X S+ 0 0 93 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.876 107.3 54.1 -67.2 -40.2 24.2 45.5 38.5 105 106 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.919 109.4 49.7 -59.6 -42.4 27.4 43.5 39.4 106 107 A G H X S+ 0 0 7 -4,-2.2 4,-2.3 2,-0.2 11,-0.3 0.929 111.4 47.4 -61.3 -46.8 28.4 43.8 35.8 107 108 A A H X S+ 0 0 54 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.857 110.1 53.6 -65.8 -36.7 27.7 47.5 35.7 108 109 A S H X S+ 0 0 42 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.947 109.9 47.1 -59.8 -49.4 29.7 48.0 38.9 109 110 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-0.3 0.894 109.7 54.5 -60.3 -38.4 32.7 46.1 37.4 110 111 A E H ><5S+ 0 0 119 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.918 105.0 52.4 -62.0 -43.6 32.3 48.3 34.2 111 112 A A H 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.791 107.1 54.9 -59.8 -28.5 32.5 51.5 36.3 112 113 A A T 3<5S- 0 0 49 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.320 131.8 -91.4 -90.5 5.2 35.7 50.1 37.9 113 114 A G T < 5S+ 0 0 66 -3,-1.8 2,-0.6 -5,-0.1 -3,-0.2 0.499 97.0 105.0 102.3 3.0 37.3 49.6 34.5 114 115 A I > < - 0 0 33 -5,-2.7 3,-0.5 -6,-0.1 -2,-0.2 -0.860 50.5-169.2-116.6 102.8 36.4 46.1 33.5 115 116 A A T 3 + 0 0 68 -2,-0.6 -8,-0.1 1,-0.2 -9,-0.0 -0.388 59.9 32.7 -82.5 157.7 33.6 46.1 30.9 116 117 A G T 3> + 0 0 40 -2,-0.1 4,-2.3 -10,-0.1 -1,-0.2 0.568 69.3 130.3 82.4 12.8 31.6 43.1 29.7 117 118 A C H <> S+ 0 0 1 -3,-0.5 4,-2.8 -11,-0.3 5,-0.2 0.856 70.8 51.1 -72.9 -37.4 31.5 41.0 32.9 118 119 A F H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.962 114.6 45.2 -59.8 -49.8 27.7 40.3 33.0 119 120 A D H > S+ 0 0 94 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.918 114.8 48.3 -59.2 -44.4 27.9 39.1 29.4 120 121 A G H >< S+ 0 0 6 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.910 110.7 49.8 -63.5 -44.6 31.0 37.0 30.2 121 122 A A H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.2 4,-0.3 0.900 104.5 59.8 -58.9 -42.0 29.6 35.5 33.3 122 123 A M H >< S+ 0 0 47 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.774 94.2 64.4 -59.0 -27.6 26.4 34.6 31.4 123 124 A R T << S+ 0 0 189 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.719 105.3 46.2 -68.0 -22.1 28.6 32.5 29.0 124 125 A W T < S+ 0 0 85 -3,-1.9 2,-0.5 -4,-0.5 -1,-0.2 0.388 100.9 79.6 -97.6 0.7 29.4 30.2 32.0 125 126 A C < - 0 0 10 -3,-1.1 6,-0.1 -4,-0.3 -112,-0.1 -0.935 51.4-171.9-124.7 114.3 25.8 29.9 33.3 126 127 A D S S+ 0 0 88 -2,-0.5 -1,-0.1 -116,-0.3 -115,-0.1 0.873 84.4 46.1 -71.9 -37.9 23.3 27.6 31.7 127 128 A N S > S- 0 0 72 -117,-0.4 3,-2.4 -115,-0.3 -1,-0.2 -0.896 71.8-158.3-113.5 104.1 20.3 28.9 33.7 128 129 A P G > S+ 0 0 61 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.772 90.7 60.7 -49.6 -37.2 20.2 32.8 33.7 129 130 A E G 3 S+ 0 0 105 1,-0.3 -31,-0.2 -31,-0.1 -30,-0.2 0.690 102.7 52.9 -67.4 -19.9 18.1 32.9 36.9 130 131 A M G < S+ 0 0 6 -3,-2.4 -1,-0.3 -118,-0.1 -92,-0.1 0.292 76.5 150.5 -95.9 6.7 20.9 31.1 38.8 131 132 A I < - 0 0 0 -3,-1.6 2,-0.3 -4,-0.2 -29,-0.1 -0.135 25.4-176.3 -49.5 132.4 23.6 33.6 37.8 132 133 A S >> - 0 0 12 -120,-0.1 4,-1.5 -11,-0.1 3,-0.8 -0.859 46.6-108.1-136.9 156.4 26.2 33.7 40.5 133 134 A R H 3> S+ 0 0 65 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.777 118.0 66.8 -52.0 -28.7 29.4 35.5 41.7 134 135 A T H 3> S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 99.2 47.5 -61.4 -43.8 31.0 32.1 40.8 135 136 A H H <> S+ 0 0 2 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.882 110.0 52.8 -65.3 -38.6 30.2 32.6 37.1 136 137 A F H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.900 109.4 50.2 -61.0 -41.2 31.6 36.2 37.3 137 138 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.915 108.0 51.1 -65.7 -43.5 34.8 34.7 38.8 138 139 A R H X S+ 0 0 12 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.898 111.9 49.1 -60.4 -39.8 35.1 32.1 36.0 139 140 A H H X S+ 0 0 29 -4,-2.1 4,-2.9 2,-0.2 6,-0.3 0.939 109.1 51.1 -62.6 -48.9 34.8 34.8 33.5 140 141 A L H <>S+ 0 0 0 -4,-2.6 6,-2.1 1,-0.2 5,-1.5 0.854 117.0 40.8 -60.5 -35.4 37.4 37.0 35.1 141 142 A V H ><5S+ 0 0 47 -4,-2.3 3,-1.4 4,-0.2 -2,-0.2 0.945 116.2 47.6 -76.0 -49.4 39.9 34.2 35.2 142 143 A D H 3<5S+ 0 0 109 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.865 112.3 49.4 -60.7 -38.6 39.1 32.8 31.7 143 144 A S T 3<5S- 0 0 61 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.457 115.1-117.8 -82.3 -1.4 39.2 36.2 30.1 144 145 A G T < 5S+ 0 0 61 -3,-1.4 -3,-0.2 2,-0.3 -2,-0.1 0.649 80.1 123.3 76.4 15.4 42.6 36.8 31.8 145 146 A A S S- 0 0 56 1,-0.1 4,-1.8 -4,-0.0 -1,-0.1 -0.964 70.8 -92.6-157.1 176.5 42.8 32.8 39.5 149 150 A M H > S+ 0 0 49 -2,-0.3 4,-1.5 1,-0.2 5,-0.2 0.864 119.9 53.4 -61.6 -40.6 39.6 32.3 41.5 150 151 A R H > S+ 0 0 216 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.914 109.7 47.1 -61.5 -45.5 41.3 33.1 44.8 151 152 A T H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.820 104.4 63.4 -67.5 -31.9 42.7 36.5 43.5 152 153 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.945 105.8 42.5 -56.4 -50.1 39.2 37.3 42.1 153 154 A F H < S+ 0 0 65 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.649 109.4 59.8 -79.4 -12.9 37.5 37.4 45.5 154 155 A R H < S+ 0 0 134 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.882 120.9 23.9 -73.3 -43.5 40.5 39.3 47.0 155 156 A K H < S+ 0 0 91 -4,-1.9 2,-0.3 -3,-0.2 -2,-0.2 0.673 129.6 14.4 -95.0 -17.6 40.0 42.2 44.5 156 157 A Y S < S+ 0 0 50 -4,-2.4 7,-0.2 -5,-0.2 -1,-0.1 -0.898 99.3 41.7-151.0 165.6 36.3 42.0 43.5 157 158 A L S S+ 0 0 0 5,-2.3 6,-0.1 -2,-0.3 8,-0.1 0.700 91.3 96.2 62.9 22.2 32.9 40.5 44.2 158 159 A T S > S- 0 0 33 4,-0.3 3,-2.5 6,-0.1 6,-0.3 -0.956 90.9 -66.6-137.2 158.7 33.3 41.0 48.0 159 160 A P T 3 S+ 0 0 91 0, 0.0 6,-0.0 0, 0.0 -1,-0.0 -0.091 122.4 15.9 -50.0 133.0 32.0 43.8 50.2 160 161 A G T 3 S+ 0 0 84 1,-0.3 -3,-0.0 4,-0.1 0, 0.0 0.333 109.8 97.7 85.8 -6.4 33.8 47.1 49.5 161 162 A K S X S- 0 0 95 -3,-2.5 3,-1.7 1,-0.1 -1,-0.3 -0.841 85.4 -87.0-116.1 152.9 35.2 45.9 46.2 162 163 A P T 3 S+ 0 0 46 0, 0.0 -5,-2.3 0, 0.0 -4,-0.3 -0.193 111.2 31.5 -54.6 141.4 33.8 46.5 42.6 163 164 A G T 3 S+ 0 0 0 1,-0.3 2,-0.5 -7,-0.2 -54,-0.1 0.238 88.1 117.8 95.4 -15.5 31.3 43.9 41.5 164 165 A Y < - 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