==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-NOV-08 3FC4 . COMPND 2 MOLECULE: ALDEHYDE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR T.SANTOS-SILVA,M.J.ROMAO . 907 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 1 0.1 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 . 72 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.4 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 1 4 2 2 2 1 2 3 1 1 0 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 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 PARALLEL BRIDGES PER LADDER . 6 3 0 5 0 2 2 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 1 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 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 0 176 0, 0.0 2,-0.3 0, 0.0 17,-0.2 0.000 360.0 360.0 360.0 148.3 -31.8 21.0 -23.7 2 2 A I E -A 17 0A 63 15,-2.9 15,-2.4 2,-0.0 2,-0.5 -0.984 360.0-126.5-134.5 147.5 -34.9 23.2 -23.9 3 3 A Q E -A 16 0A 110 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.790 27.5-174.5 -85.3 134.2 -36.1 26.1 -26.1 4 4 A K E -A 15 0A 15 11,-3.1 11,-2.5 -2,-0.5 2,-0.8 -0.961 12.0-161.2-133.1 115.8 -37.2 29.1 -24.0 5 5 A V E +A 14 0A 50 -2,-0.4 65,-2.5 9,-0.2 2,-0.2 -0.863 34.2 145.5 -99.0 111.1 -38.7 32.1 -25.7 6 6 A I E -A 13 0A 2 7,-2.1 7,-3.5 -2,-0.8 2,-0.5 -0.740 48.7-105.7-133.5 177.5 -38.5 35.0 -23.3 7 7 A T E -Ab 12 72A 29 64,-2.8 66,-2.7 5,-0.3 2,-0.5 -0.974 29.2-175.1-114.7 125.6 -37.9 38.8 -23.3 8 8 A V E > S-Ab 11 73A 3 3,-2.7 3,-1.7 -2,-0.5 66,-0.2 -0.983 74.7 -16.0-120.8 120.3 -34.5 40.2 -22.3 9 9 A N T 3 S- 0 0 34 64,-3.0 -1,-0.1 -2,-0.5 65,-0.1 0.898 130.4 -51.4 52.8 41.1 -34.1 44.0 -22.0 10 10 A G T 3 S+ 0 0 68 63,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.404 118.4 107.6 83.8 -2.0 -37.3 44.5 -24.1 11 11 A I E < S-A 8 0A 109 -3,-1.7 -3,-2.7 2,-0.0 2,-0.2 -0.928 73.6-117.2-116.6 129.6 -36.2 42.2 -26.9 12 12 A E E -A 7 0A 143 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.3 -0.449 31.8-161.2 -61.4 127.3 -37.6 38.7 -27.6 13 13 A Q E -A 6 0A 56 -7,-3.5 -7,-2.1 -2,-0.2 2,-1.2 -0.972 15.5-150.9-116.1 123.0 -34.9 36.1 -27.2 14 14 A N E -A 5 0A 86 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.737 33.5-166.8 -89.5 88.6 -35.2 32.6 -28.7 15 15 A L E -A 4 0A 6 -11,-2.5 -11,-3.1 -2,-1.2 2,-0.5 -0.598 23.5-165.6 -92.5 138.9 -33.0 30.8 -26.1 16 16 A F E +A 3 0A 95 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.977 33.2 151.0-120.4 113.2 -31.6 27.4 -26.2 17 17 A V E -A 2 0A 1 -15,-2.4 -15,-2.9 -2,-0.5 2,-0.5 -0.919 51.9-105.5-141.1 159.1 -30.4 26.3 -22.8 18 18 A D > - 0 0 95 -2,-0.3 3,-1.6 -17,-0.2 46,-0.4 -0.779 33.8-133.4 -80.8 130.8 -29.8 23.5 -20.3 19 19 A A T 3 S+ 0 0 27 -2,-0.5 46,-2.0 1,-0.3 47,-0.2 0.790 107.8 51.3 -55.7 -28.8 -32.5 23.6 -17.7 20 20 A E T 3 S+ 0 0 88 44,-0.2 -1,-0.3 43,-0.2 2,-0.0 0.507 85.8 113.3 -86.4 -9.6 -29.8 23.2 -15.0 21 21 A A S < S- 0 0 23 -3,-1.6 43,-2.5 42,-0.1 2,-0.3 -0.323 73.2-111.2 -64.4 149.2 -27.7 26.1 -16.4 22 22 A L B > -E 63 0B 49 41,-0.2 4,-2.2 1,-0.1 41,-0.2 -0.616 14.8-132.0 -80.3 138.8 -27.3 29.2 -14.2 23 23 A L H > S+ 0 0 0 39,-3.0 4,-2.8 36,-0.6 5,-0.3 0.858 107.7 59.9 -59.7 -36.7 -29.0 32.4 -15.5 24 24 A S H > S+ 0 0 3 35,-1.9 4,-2.5 38,-0.2 5,-0.3 0.935 107.4 44.9 -57.2 -48.5 -25.7 34.3 -14.9 25 25 A D H >>S+ 0 0 54 34,-0.2 4,-2.8 -3,-0.2 5,-1.0 0.917 113.9 49.7 -60.1 -45.5 -23.8 32.0 -17.3 26 26 A V H X>S+ 0 0 0 -4,-2.2 5,-1.9 3,-0.2 4,-0.8 0.938 114.8 43.2 -58.9 -49.0 -26.6 32.2 -19.9 27 27 A L H <5S+ 0 0 0 -4,-2.8 6,-2.9 3,-0.2 4,-0.2 0.953 123.1 36.6 -64.8 -50.1 -26.8 36.0 -19.8 28 28 A R H <5S+ 0 0 18 -4,-2.5 4,-0.3 -5,-0.3 6,-0.2 0.942 130.1 25.7 -67.3 -52.1 -23.0 36.5 -19.8 29 29 A Q H <5S+ 0 0 117 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.894 130.1 33.4 -88.8 -46.6 -21.8 33.7 -22.1 30 30 A Q T < + 0 0 27 -6,-2.9 3,-1.8 1,-0.2 -1,-0.2 -0.512 9.1 162.7 -87.2 71.1 -24.5 40.5 -21.3 34 34 A T T 3 + 0 0 5 -2,-1.8 -1,-0.2 1,-0.3 4,-0.1 0.520 58.3 85.0 -74.3 -4.7 -21.3 41.0 -19.4 35 35 A G T 3 S+ 0 0 1 -3,-0.1 2,-1.1 155,-0.1 -1,-0.3 0.643 70.8 87.1 -64.9 -16.8 -23.0 43.9 -17.5 36 36 A V S < S- 0 0 4 -3,-1.8 2,-0.2 155,-0.1 12,-0.2 -0.785 81.1-153.2 -81.2 102.7 -24.3 41.1 -15.3 37 37 A K - 0 0 1 -2,-1.1 2,-0.5 10,-1.0 -2,-0.1 -0.576 10.1-157.0 -86.5 143.4 -21.3 40.9 -12.9 38 38 A V + 0 0 19 -2,-0.2 159,-0.1 -4,-0.1 -2,-0.0 -0.980 28.9 143.1-121.8 124.4 -20.3 37.8 -11.1 39 39 A G S S+ 0 0 2 -2,-0.5 411,-0.2 330,-0.1 -1,-0.1 0.601 74.2 17.2-117.5 -82.8 -18.3 37.8 -7.9 40 40 A C S S- 0 0 2 409,-0.1 410,-0.4 1,-0.1 411,-0.2 0.767 74.1-152.0 -71.2 -29.2 -19.0 35.3 -5.1 41 41 A E S S+ 0 0 72 408,-0.1 -1,-0.1 1,-0.1 -3,-0.0 0.646 75.9 89.6 62.0 19.7 -21.1 32.8 -7.2 42 42 A Q S S- 0 0 91 19,-0.0 -1,-0.1 408,-0.0 19,-0.0 0.170 105.3-102.4-134.3 14.5 -22.9 31.9 -4.0 43 43 A G S S+ 0 0 9 1,-0.1 15,-0.1 91,-0.0 18,-0.0 0.596 94.9 104.8 78.9 13.9 -25.9 34.3 -3.8 44 44 A Q S S+ 0 0 40 1,-0.1 -1,-0.1 91,-0.0 90,-0.0 0.479 73.2 42.8-107.0 -6.4 -24.2 36.4 -1.2 45 45 A C S S- 0 0 5 90,-0.1 91,-2.7 91,-0.0 -1,-0.1 0.588 80.2-140.2-122.5 -16.3 -23.0 39.6 -3.0 46 46 A G > + 0 0 1 89,-0.2 3,-1.7 1,-0.1 64,-0.2 0.465 61.9 127.0 70.1 1.9 -25.9 40.7 -5.3 47 47 A A T 3 S+ 0 0 3 1,-0.3 -10,-1.0 87,-0.2 59,-0.3 0.821 74.1 51.1 -59.3 -29.6 -23.4 41.7 -8.1 48 48 A C T 3 S+ 0 0 3 -12,-0.2 11,-1.9 57,-0.1 -1,-0.3 0.038 80.1 151.3 -98.2 22.5 -25.4 39.5 -10.5 49 49 A S E < +C 58 0A 4 -3,-1.7 2,-0.3 9,-0.2 9,-0.2 -0.321 15.3 169.6 -57.8 130.0 -28.8 41.0 -9.6 50 50 A V E -C 57 0A 0 7,-2.6 7,-2.8 25,-0.1 2,-0.6 -0.950 37.0-114.4-133.2 160.5 -31.3 40.9 -12.5 51 51 A I E -CD 56 74A 11 23,-2.5 23,-1.9 -2,-0.3 2,-0.5 -0.874 32.3-177.5 -94.2 119.9 -35.1 41.6 -12.6 52 52 A L E > S-CD 55 73A 17 3,-3.1 3,-1.9 -2,-0.6 21,-0.2 -0.974 72.7 -26.6-118.4 113.6 -37.0 38.4 -13.4 53 53 A D T 3 S- 0 0 85 19,-2.7 -1,-0.1 -2,-0.5 20,-0.1 0.900 127.8 -46.7 45.4 49.7 -40.8 38.9 -13.8 54 54 A G T 3 S+ 0 0 50 18,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.387 119.1 105.3 81.6 -2.8 -40.7 42.0 -11.4 55 55 A K E < S-C 52 0A 151 -3,-1.9 -3,-3.1 2,-0.0 2,-0.7 -0.897 70.8-126.2-112.2 141.3 -38.6 40.4 -8.7 56 56 A V E +C 51 0A 12 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.769 40.3 173.6 -86.0 116.6 -34.9 41.1 -8.1 57 57 A V E -C 50 0A 35 -7,-2.8 -7,-2.6 -2,-0.7 2,-0.8 -0.899 38.7-114.6-122.5 155.1 -33.0 37.8 -8.2 58 58 A R E > -C 49 0A 62 -2,-0.3 3,-1.9 -9,-0.2 -9,-0.2 -0.797 24.0-154.6 -87.8 111.8 -29.4 36.8 -8.1 59 59 A A G > S+ 0 0 0 -11,-1.9 -35,-1.9 -2,-0.8 3,-1.2 0.740 87.4 67.4 -63.0 -24.4 -28.7 35.2 -11.5 60 60 A C G 3 S+ 0 0 7 1,-0.3 -1,-0.3 -37,-0.2 -38,-0.0 0.649 109.7 35.7 -71.2 -15.3 -25.8 33.1 -10.1 61 61 A V G < S+ 0 0 81 -3,-1.9 2,-0.6 2,-0.1 -1,-0.3 0.027 97.9 95.6-123.5 22.5 -28.2 31.0 -8.0 62 62 A T < - 0 0 16 -3,-1.2 -39,-3.0 -5,-0.1 -38,-0.2 -0.942 62.7-153.0-119.5 106.7 -31.2 31.0 -10.5 63 63 A K B > -E 22 0B 84 -2,-0.6 3,-2.3 -41,-0.2 -41,-0.2 -0.461 26.4-114.0 -77.9 152.2 -31.3 28.0 -12.7 64 64 A M G > S+ 0 0 0 -43,-2.5 3,-1.9 -46,-0.4 -44,-0.2 0.757 111.9 70.6 -60.7 -23.7 -33.0 28.2 -16.2 65 65 A K G 3 S+ 0 0 75 -46,-2.0 -1,-0.3 1,-0.3 -45,-0.1 0.744 93.8 57.9 -64.5 -19.1 -35.8 25.9 -15.1 66 66 A R G < S+ 0 0 170 -3,-2.3 2,-0.7 -47,-0.2 -1,-0.3 0.417 88.0 88.1 -89.1 -1.4 -37.0 28.8 -12.9 67 67 A V S < S- 0 0 0 -3,-1.9 2,-0.1 -4,-0.2 3,-0.1 -0.897 75.4-144.8-101.2 111.1 -37.3 31.0 -15.9 68 68 A A > - 0 0 55 -2,-0.7 3,-2.2 1,-0.1 -2,-0.1 -0.375 27.2 -91.4 -74.1 148.9 -40.8 30.6 -17.4 69 69 A D T 3 S+ 0 0 117 1,-0.3 -63,-0.2 -2,-0.1 -1,-0.1 -0.423 119.6 22.6 -46.8 128.6 -41.6 30.7 -21.1 70 70 A G T 3 S+ 0 0 45 -65,-2.5 -1,-0.3 1,-0.2 -64,-0.2 0.548 90.0 157.2 82.9 9.4 -42.4 34.3 -21.7 71 71 A A < - 0 0 1 -3,-2.2 -64,-2.8 -66,-0.1 2,-0.5 -0.216 38.6-130.5 -61.9 154.3 -40.5 35.6 -18.7 72 72 A Q E -b 7 0A 96 -66,-0.2 -19,-2.7 -64,-0.1 2,-0.4 -0.955 25.7-174.8-110.0 125.4 -39.3 39.3 -18.6 73 73 A I E -bD 8 52A 3 -66,-2.7 -64,-3.0 -2,-0.5 2,-0.4 -0.980 7.8-170.1-121.1 138.6 -35.7 39.9 -17.7 74 74 A T E + D 0 51A 32 -23,-1.9 -23,-2.5 -2,-0.4 2,-0.2 -0.997 8.4 175.0-126.1 125.8 -33.9 43.2 -17.2 75 75 A T >> - 0 0 0 -2,-0.4 3,-1.6 -25,-0.2 4,-0.8 -0.616 54.3 -85.9-112.0 178.8 -30.1 43.5 -16.8 76 76 A I H >> S+ 0 0 2 1,-0.3 4,-1.7 -2,-0.2 3,-1.2 0.879 128.0 62.4 -55.5 -37.7 -28.1 46.7 -16.5 77 77 A E H 34 S+ 0 0 40 1,-0.3 -1,-0.3 2,-0.2 114,-0.0 0.765 105.7 46.8 -57.6 -27.8 -28.0 46.9 -20.4 78 78 A G H <4 S+ 0 0 31 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.559 103.4 62.3 -90.7 -13.9 -31.8 47.2 -20.3 79 79 A V H << S- 0 0 13 -3,-1.2 2,-0.3 -4,-0.8 -2,-0.2 0.901 123.5 -48.3 -73.4 -44.3 -31.8 49.9 -17.6 80 80 A G < - 0 0 0 -4,-1.7 -1,-0.3 5,-0.1 5,-0.2 -0.920 48.0-138.8 174.8 159.6 -29.9 52.3 -19.7 81 81 A Q B > -F 84 0C 74 3,-1.2 3,-3.0 -2,-0.3 110,-0.1 -0.797 48.8 -69.5-127.3 164.8 -26.9 52.8 -22.0 82 82 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 105,-0.0 -0.330 129.0 18.3 -55.8 139.8 -24.3 55.6 -22.4 83 83 A E T 3 S+ 0 0 198 1,-0.1 -3,-0.0 -3,-0.0 0, 0.0 0.496 126.6 61.1 69.1 -0.0 -26.2 58.5 -24.0 84 84 A N B < S+F 81 0C 104 -3,-3.0 -3,-1.2 2,-0.0 2,-0.2 -0.294 77.4 169.8-141.1 56.7 -29.4 56.9 -22.8 85 85 A L - 0 0 34 -5,-0.2 -5,-0.1 1,-0.1 105,-0.0 -0.455 30.7-130.4 -77.8 138.2 -28.9 56.9 -19.0 86 86 A H > - 0 0 40 -2,-0.2 4,-2.8 1,-0.1 3,-0.4 -0.445 31.7-107.7 -72.4 150.6 -31.7 56.0 -16.5 87 87 A P H > S+ 0 0 16 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.870 122.6 56.6 -48.9 -36.8 -32.1 58.4 -13.6 88 88 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.900 108.9 45.3 -60.2 -42.0 -30.6 55.8 -11.3 89 89 A Q H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.915 113.8 48.6 -69.7 -43.8 -27.4 55.7 -13.5 90 90 A K H X S+ 0 0 43 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.918 112.1 50.2 -57.8 -43.5 -27.3 59.5 -13.7 91 91 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.3 6,-0.2 0.884 107.4 53.2 -62.7 -41.7 -27.7 59.6 -9.9 92 92 A W H X>S+ 0 0 0 -4,-2.0 5,-2.2 2,-0.2 4,-0.6 0.924 111.0 47.1 -59.5 -43.9 -24.9 57.1 -9.4 93 93 A V H ><5S+ 0 0 21 -4,-2.0 3,-0.7 1,-0.2 89,-0.3 0.925 113.6 47.5 -63.0 -47.6 -22.5 59.2 -11.5 94 94 A L H 3<5S+ 0 0 34 -4,-2.4 -1,-0.2 71,-0.2 -2,-0.2 0.846 115.6 44.4 -63.3 -38.0 -23.5 62.5 -9.7 95 95 A H H 3<5S- 0 0 47 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.412 108.6-119.9 -90.6 0.5 -23.1 60.9 -6.2 96 96 A G T <<5 + 0 0 6 -3,-0.7 -3,-0.2 -4,-0.6 -4,-0.1 0.775 61.8 147.7 71.5 27.2 -19.8 59.1 -7.0 97 97 A G < + 0 0 1 -5,-2.2 2,-1.1 -6,-0.2 4,-0.2 0.717 52.0 77.1 -73.5 -23.4 -21.4 55.7 -6.2 98 98 A A + 0 0 1 -6,-0.5 -1,-0.1 1,-0.1 84,-0.1 -0.768 49.0 145.2 -86.6 96.8 -19.2 54.0 -8.8 99 99 A Q S S- 0 0 6 -2,-1.1 -1,-0.1 707,-0.1 555,-0.1 0.719 93.3 -3.5 -90.4 -91.3 -15.7 53.6 -7.2 100 100 A C S S- 0 0 7 1,-0.1 -2,-0.1 318,-0.1 319,-0.1 0.830 94.7-147.4 -66.3 -27.6 -14.4 50.3 -8.5 101 101 A G > + 0 0 1 -4,-0.2 3,-0.9 553,-0.1 90,-0.1 0.356 62.1 120.2 83.9 -1.7 -17.9 50.0 -10.2 102 102 A F T 3 S+ 0 0 7 1,-0.3 4,-0.3 315,-0.2 -65,-0.1 0.842 81.0 38.2 -67.4 -30.4 -18.0 46.2 -9.9 103 103 A C T 3> S+ 0 0 8 1,-0.1 4,-2.6 2,-0.1 -1,-0.3 0.476 93.9 92.9 -92.3 -5.2 -21.2 46.3 -7.8 104 104 A S H <> S+ 0 0 0 -3,-0.9 4,-2.4 1,-0.2 5,-0.2 0.903 82.4 48.2 -66.6 -46.7 -22.8 49.2 -9.6 105 105 A P H > S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.951 114.8 47.6 -55.0 -49.3 -24.8 47.2 -12.2 106 106 A G H > S+ 0 0 0 -4,-0.3 4,-2.6 -59,-0.3 -2,-0.2 0.909 113.4 46.7 -57.2 -47.1 -26.2 45.0 -9.4 107 107 A F H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.899 114.1 48.2 -61.5 -39.9 -27.1 47.9 -7.1 108 108 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.931 113.5 45.3 -71.5 -45.7 -28.8 49.8 -9.9 109 109 A V H X S+ 0 0 1 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.954 115.4 48.6 -57.2 -51.6 -30.8 46.9 -11.2 110 110 A S H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.912 110.1 52.3 -55.1 -45.8 -31.8 46.1 -7.6 111 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.840 106.5 52.9 -58.2 -39.3 -32.7 49.8 -7.0 112 112 A K H X S+ 0 0 46 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.924 106.9 52.4 -63.0 -43.3 -34.9 49.7 -10.1 113 113 A G H < S+ 0 0 2 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.878 111.5 48.7 -56.6 -40.5 -36.7 46.7 -8.6 114 114 A L H >X S+ 0 0 4 -4,-2.0 4,-2.8 1,-0.2 3,-1.7 0.958 111.4 45.9 -62.4 -54.7 -37.2 48.7 -5.4 115 115 A L H 3< S+ 0 0 16 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.746 107.2 59.1 -67.5 -24.8 -38.5 51.9 -7.1 116 116 A D T 3< S+ 0 0 105 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.605 118.6 31.5 -73.6 -14.0 -40.9 49.8 -9.2 117 117 A T T <4 S+ 0 0 89 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.620 135.0 24.7-113.3 -27.1 -42.4 48.5 -6.0 118 118 A N < - 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