==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-FEB-11 3AUS . COMPND 2 MOLECULE: GLUCOSE 1-DEHYDROGENASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR T.NISHIOKA,Y.YASUTAKE,Y.NISHIYA,T.TAMURA . 524 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 40 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 1 0 0 2 0 0 2 4 1 1 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 0 A H 0 0 105 0, 0.0 3,-0.2 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0-172.2 -19.0 19.2 -26.3 2 1 A M + 0 0 126 1,-0.2 2,-0.9 28,-0.1 29,-0.1 0.982 360.0 36.1 -83.0 -63.7 -20.2 16.0 -27.9 3 2 A Y > + 0 0 35 1,-0.2 3,-1.8 2,-0.0 4,-0.3 -0.758 59.2 178.9-101.3 93.5 -23.0 14.3 -25.9 4 3 A T G > S+ 0 0 105 -2,-0.9 3,-1.6 1,-0.3 -1,-0.2 0.805 76.5 67.3 -67.6 -29.3 -25.2 17.1 -24.5 5 4 A D G 3 S+ 0 0 43 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.577 93.5 63.1 -64.0 -11.6 -27.6 14.6 -22.8 6 5 A L G X S+ 0 0 2 -3,-1.8 3,-2.2 2,-0.1 -1,-0.3 0.592 71.7 121.2 -90.5 -14.1 -24.7 13.7 -20.5 7 6 A K T < S- 0 0 103 -3,-1.6 26,-0.3 -4,-0.3 25,-0.2 -0.324 88.5 -0.1 -52.4 122.3 -24.4 17.2 -19.0 8 7 A D T 3 S+ 0 0 72 24,-2.8 -1,-0.3 1,-0.2 25,-0.2 0.502 92.6 146.3 74.9 9.0 -24.9 17.0 -15.2 9 8 A K < - 0 0 72 -3,-2.2 25,-3.3 19,-0.1 2,-0.7 -0.494 51.9-121.0 -73.2 144.9 -25.4 13.2 -15.2 10 9 A V E -a 34 0A 1 23,-0.2 79,-2.6 -2,-0.2 78,-2.4 -0.826 33.3-175.1 -92.2 118.5 -24.1 11.3 -12.1 11 10 A V E -ab 35 89A 0 23,-2.8 25,-3.1 -2,-0.7 2,-0.4 -0.962 10.0-161.1-120.6 116.5 -21.6 8.7 -13.2 12 11 A V E -ab 36 90A 0 77,-2.7 79,-3.1 -2,-0.5 2,-0.5 -0.823 9.7-172.6 -97.1 132.5 -20.0 6.3 -10.7 13 12 A I E > -ab 37 91A 0 23,-2.6 25,-2.6 -2,-0.4 3,-0.8 -0.964 13.4-147.8-129.8 115.6 -16.7 4.6 -11.7 14 13 A T T 3 S+ 0 0 5 77,-2.5 79,-0.3 -2,-0.5 25,-0.1 -0.596 90.0 13.1 -79.2 145.6 -15.0 1.8 -9.7 15 14 A G T > S+ 0 0 19 -2,-0.2 3,-0.7 78,-0.1 6,-0.4 0.874 88.3 152.6 53.9 41.2 -11.2 1.8 -10.0 16 15 A G T < + 0 0 0 22,-1.5 9,-0.2 -3,-0.8 23,-0.1 0.328 45.1 74.7 -88.2 8.5 -11.6 5.2 -11.5 17 16 A S T 3 S+ 0 0 8 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.663 98.8 28.9 -95.6 -18.1 -8.3 6.8 -10.5 18 17 A T S X> S- 0 0 61 -3,-0.7 4,-1.1 31,-0.0 3,-0.8 -0.922 105.9 -11.6-138.6 159.4 -6.0 5.1 -12.9 19 18 A G H 3> S- 0 0 15 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.138 124.3 -2.6 60.0-135.9 -5.9 3.5 -16.4 20 19 A L H 3> S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 134.6 55.6 -60.0 -42.4 -9.2 2.9 -18.2 21 20 A G H <> S+ 0 0 0 -3,-0.8 4,-2.5 -6,-0.4 -1,-0.2 0.901 109.2 46.2 -56.3 -44.9 -11.2 4.2 -15.2 22 21 A R H X S+ 0 0 45 -4,-1.1 4,-2.6 -7,-0.3 5,-0.2 0.925 109.9 53.0 -65.1 -43.9 -9.4 7.5 -15.1 23 22 A A H X S+ 0 0 19 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.843 111.1 47.5 -63.0 -32.5 -9.8 8.0 -18.8 24 23 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.914 109.4 53.8 -73.4 -41.6 -13.5 7.4 -18.4 25 24 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 -9,-0.2 -2,-0.2 0.936 112.9 43.8 -51.7 -52.3 -13.7 9.9 -15.4 26 25 A V H X S+ 0 0 20 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.848 112.0 51.7 -63.4 -42.8 -12.0 12.6 -17.5 27 26 A R H X S+ 0 0 38 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.871 110.0 48.5 -65.9 -38.7 -14.1 12.0 -20.7 28 27 A F H ><>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 3,-0.5 0.867 109.5 54.7 -68.7 -33.8 -17.3 12.2 -18.7 29 28 A G H ><5S+ 0 0 0 -4,-1.8 3,-2.0 -5,-0.2 -2,-0.2 0.885 102.1 56.3 -59.2 -40.9 -15.9 15.4 -17.2 30 29 A Q H 3<5S+ 0 0 95 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.729 104.9 53.2 -64.1 -19.6 -15.4 16.7 -20.8 31 30 A E T <<5S- 0 0 4 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.267 120.1-114.1 -97.8 7.0 -19.2 16.0 -21.1 32 31 A E T < 5 + 0 0 69 -3,-2.0 -24,-2.8 1,-0.2 -3,-0.2 0.799 66.5 147.9 63.4 33.7 -19.8 18.2 -18.0 33 32 A A < - 0 0 0 -5,-2.3 26,-1.3 -26,-0.3 2,-0.6 -0.356 54.9-109.8 -83.7 171.1 -21.1 15.2 -16.0 34 33 A K E -ac 10 59A 44 -25,-3.3 -23,-2.8 24,-0.2 2,-0.4 -0.951 39.1-157.7-107.3 120.2 -20.7 14.8 -12.3 35 34 A V E -ac 11 60A 0 24,-2.7 26,-1.9 -2,-0.6 2,-0.6 -0.800 15.0-158.3-108.6 134.3 -18.2 12.0 -11.6 36 35 A V E -ac 12 61A 0 -25,-3.1 -23,-2.6 -2,-0.4 2,-0.7 -0.944 16.7-155.3-111.2 111.6 -17.8 9.8 -8.5 37 36 A I E -ac 13 62A 0 24,-2.9 26,-2.5 -2,-0.6 2,-0.2 -0.752 6.4-165.0 -92.5 111.4 -14.4 8.3 -8.4 38 37 A N E + c 0 63A 7 -25,-2.6 -22,-1.5 -2,-0.7 -21,-0.4 -0.649 13.4 173.4 -85.1 154.5 -13.9 5.0 -6.4 39 38 A Y E - c 0 64A 21 24,-1.2 26,-2.3 -2,-0.2 4,-0.1 -0.973 31.6-141.3-157.8 153.4 -10.4 3.9 -5.5 40 39 A Y S S- 0 0 136 -2,-0.3 -1,-0.1 24,-0.2 3,-0.1 0.932 83.0 -34.3 -84.6 -52.4 -8.9 1.1 -3.4 41 40 A N S S+ 0 0 117 23,-0.1 2,-1.0 1,-0.1 23,-0.1 0.396 104.5 98.1-155.5 -0.9 -5.9 2.8 -1.7 42 41 A N > + 0 0 65 1,-0.2 4,-2.0 2,-0.1 3,-0.3 -0.621 36.6 169.0-103.6 78.2 -4.2 5.4 -3.9 43 42 A E H > S+ 0 0 112 -2,-1.0 4,-3.4 1,-0.2 5,-0.2 0.860 72.6 58.3 -48.9 -45.7 -5.6 8.7 -2.7 44 43 A E H > S+ 0 0 124 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.898 108.4 43.8 -62.1 -44.8 -3.1 10.9 -4.6 45 44 A E H > S+ 0 0 50 -3,-0.3 4,-3.4 2,-0.2 -1,-0.2 0.910 114.3 51.7 -62.6 -42.9 -4.1 9.5 -8.0 46 45 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.926 111.3 47.2 -58.1 -47.3 -7.8 9.7 -7.0 47 46 A L H X S+ 0 0 79 -4,-3.4 4,-2.1 2,-0.2 -2,-0.2 0.914 113.0 49.3 -59.0 -45.2 -7.2 13.3 -6.1 48 47 A D H X S+ 0 0 81 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.916 111.9 48.0 -59.6 -45.8 -5.3 13.9 -9.4 49 48 A A H X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.938 108.3 55.6 -60.3 -47.8 -8.1 12.3 -11.3 50 49 A K H X S+ 0 0 58 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.909 108.7 47.7 -47.6 -48.0 -10.7 14.4 -9.4 51 50 A K H X S+ 0 0 125 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.861 107.5 55.4 -67.1 -38.6 -8.8 17.6 -10.5 52 51 A E H X S+ 0 0 70 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.880 106.7 50.9 -59.4 -41.6 -8.6 16.5 -14.2 53 52 A V H X>S+ 0 0 0 -4,-2.0 5,-3.2 2,-0.2 4,-1.2 0.918 113.5 44.5 -62.6 -46.6 -12.4 16.1 -14.3 54 53 A E H <5S+ 0 0 85 -4,-1.7 3,-0.4 3,-0.2 -2,-0.2 0.913 112.6 51.5 -63.1 -45.8 -12.9 19.6 -12.8 55 54 A E H <5S+ 0 0 149 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.683 110.4 50.5 -65.6 -19.8 -10.3 21.0 -15.2 56 55 A A H <5S- 0 0 36 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.695 133.0 -86.1 -90.7 -23.7 -12.1 19.4 -18.1 57 56 A G T <5S+ 0 0 40 -4,-1.2 -3,-0.2 -3,-0.4 2,-0.2 0.444 89.0 106.5 135.9 7.4 -15.5 20.8 -17.2 58 57 A G < - 0 0 10 -5,-3.2 -1,-0.3 -6,-0.2 2,-0.3 -0.615 62.4-118.7-112.3 166.1 -17.0 18.4 -14.6 59 58 A Q E +c 34 0A 98 -26,-1.3 -24,-2.7 -2,-0.2 2,-0.3 -0.729 39.7 179.8 -92.8 155.8 -17.8 18.1 -10.9 60 59 A A E -c 35 0A 6 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.984 21.6-174.9-160.2 142.9 -16.2 15.3 -9.0 61 60 A I E -c 36 0A 31 -26,-1.9 -24,-2.9 -2,-0.3 2,-0.3 -0.894 19.3-137.8-127.4 165.4 -15.8 13.5 -5.7 62 61 A I E -c 37 0A 36 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.933 16.4-174.2-122.8 149.6 -13.6 10.6 -4.6 63 62 A V E -c 38 0A 20 -26,-2.5 -24,-1.2 -2,-0.3 2,-0.2 -0.969 20.0-133.0-147.2 125.0 -14.6 7.7 -2.3 64 63 A Q E +c 39 0A 96 -2,-0.3 2,-0.2 -26,-0.2 -24,-0.2 -0.566 41.8 143.5 -78.1 142.6 -12.4 4.9 -0.9 65 64 A G - 0 0 2 -26,-2.3 2,-0.6 -2,-0.2 -26,-0.1 -0.828 45.7-135.0 179.0 139.1 -13.8 1.4 -1.2 66 65 A D > - 0 0 28 -2,-0.2 3,-2.1 1,-0.1 7,-0.3 -0.909 19.1-149.0 -98.9 118.2 -12.9 -2.3 -1.8 67 66 A V T 3 S+ 0 0 11 -2,-0.6 56,-0.1 1,-0.3 -1,-0.1 0.635 95.3 66.1 -69.1 -13.6 -15.3 -3.8 -4.3 68 67 A T T 3 S+ 0 0 54 1,-0.0 2,-0.6 55,-0.0 -1,-0.3 0.494 91.0 78.8 -77.5 -5.5 -14.9 -7.3 -2.7 69 68 A K S <> S- 0 0 84 -3,-2.1 4,-1.7 1,-0.1 3,-0.3 -0.932 72.2-152.9-109.7 118.4 -16.6 -5.7 0.4 70 69 A E H > S+ 0 0 70 -2,-0.6 4,-3.0 1,-0.2 5,-0.2 0.892 94.0 52.9 -58.9 -45.4 -20.4 -5.4 0.1 71 70 A E H > S+ 0 0 116 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.856 106.7 53.5 -59.5 -37.2 -20.7 -2.3 2.5 72 71 A D H > S+ 0 0 29 -3,-0.3 4,-2.2 -6,-0.3 -1,-0.2 0.899 111.8 45.2 -63.7 -41.1 -18.1 -0.4 0.4 73 72 A V H X S+ 0 0 5 -4,-1.7 4,-1.7 -7,-0.3 -2,-0.2 0.951 116.2 45.5 -66.6 -47.5 -20.1 -1.0 -2.8 74 73 A V H X S+ 0 0 46 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.929 113.8 50.6 -58.2 -46.9 -23.3 -0.1 -1.0 75 74 A N H X S+ 0 0 94 -4,-3.2 4,-3.1 -5,-0.2 -1,-0.2 0.869 105.4 57.3 -56.6 -42.3 -21.6 3.0 0.6 76 75 A L H X S+ 0 0 3 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.923 109.5 42.5 -58.8 -49.2 -20.3 4.1 -2.8 77 76 A V H X S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.902 115.8 49.6 -68.3 -40.7 -23.7 4.3 -4.5 78 77 A Q H X S+ 0 0 105 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.931 109.2 51.9 -61.1 -45.5 -25.2 6.0 -1.4 79 78 A T H X S+ 0 0 29 -4,-3.1 4,-2.2 1,-0.2 5,-0.3 0.851 108.1 53.5 -58.3 -36.5 -22.4 8.5 -1.2 80 79 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 6,-0.5 0.907 112.0 42.8 -65.2 -44.3 -23.1 9.3 -4.9 81 80 A I H X S+ 0 0 26 -4,-1.8 4,-2.4 3,-0.2 -2,-0.2 0.949 114.9 49.8 -69.3 -50.2 -26.8 10.0 -4.3 82 81 A K H < S+ 0 0 170 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.975 119.1 37.7 -46.1 -65.4 -26.1 12.0 -1.0 83 82 A E H < S+ 0 0 97 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.907 131.4 22.7 -58.3 -52.9 -23.5 14.2 -2.6 84 83 A F H < S- 0 0 31 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.2 0.534 100.3-115.8-105.2 -9.0 -24.9 14.8 -6.2 85 84 A G S < S+ 0 0 53 -4,-2.4 2,-0.3 -5,-0.3 -4,-0.2 0.161 80.4 9.3 105.4 -17.7 -28.6 14.1 -5.8 86 85 A T - 0 0 38 -6,-0.5 2,-0.3 0, 0.0 -2,-0.2 -0.906 67.6-113.0-170.2-175.0 -29.1 11.1 -8.0 87 86 A L + 0 0 0 -2,-0.3 -76,-0.1 1,-0.1 3,-0.1 -0.975 30.2 160.8-144.5 132.2 -27.4 8.3 -10.0 88 87 A D + 0 0 28 -78,-2.4 52,-2.0 1,-0.3 2,-0.4 0.684 66.0 30.0-117.9 -39.7 -27.5 8.0 -13.8 89 88 A V E -bd 11 140A 3 -79,-2.6 -77,-2.7 50,-0.2 2,-0.5 -0.994 57.5-163.6-135.6 127.6 -24.6 5.8 -14.9 90 89 A M E -bd 12 141A 0 50,-2.7 52,-2.7 -2,-0.4 2,-0.6 -0.964 7.0-171.0-114.8 119.3 -22.9 3.0 -13.1 91 90 A I E -bd 13 142A 0 -79,-3.1 -77,-2.5 -2,-0.5 2,-1.0 -0.914 7.2-163.2-115.3 107.8 -19.5 1.9 -14.4 92 91 A N E + d 0 143A 7 50,-2.1 52,-2.5 -2,-0.6 29,-0.1 -0.753 31.6 145.9 -92.5 98.3 -18.0 -1.3 -12.9 93 92 A N + 0 0 26 -2,-1.0 -1,-0.2 -79,-0.3 -72,-0.1 0.531 19.9 122.1-115.7 -10.2 -14.3 -1.1 -13.9 94 93 A A + 0 0 22 22,-0.1 2,-0.3 -73,-0.0 27,-0.1 -0.234 34.8 161.4 -58.7 144.1 -12.3 -2.7 -11.0 95 94 A G - 0 0 46 25,-0.0 2,-0.3 2,-0.0 18,-0.1 -0.953 23.1-172.0-165.6 144.6 -10.1 -5.6 -12.0 96 95 A V + 0 0 56 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.955 12.1 173.7-134.3 158.2 -7.1 -7.7 -10.9 97 96 A E + 0 0 66 -2,-0.3 59,-0.1 2,-0.0 -2,-0.0 -0.983 8.6 176.2-159.7 148.0 -5.1 -10.5 -12.7 98 97 A N - 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0 0 16 -2,-1.7 3,-2.5 27,-0.1 4,-0.5 -0.806 68.5 -95.3-122.0 159.4 -2.4 1.7 -19.0 195 194 A P G >4 S+ 0 0 85 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.789 120.6 58.4 -31.2 -52.9 -0.3 1.8 -15.7 196 195 A I G 34 S+ 0 0 125 1,-0.2 4,-0.2 2,-0.1 3,-0.2 0.765 113.4 40.6 -56.1 -25.5 -0.5 -2.1 -15.2 197 196 A N G <> S+ 0 0 22 -3,-2.5 4,-2.8 1,-0.1 -1,-0.2 0.425 83.8 99.1-105.3 -2.7 1.2 -2.5 -18.7 198 197 A A T << S+ 0 0 59 -3,-1.1 4,-0.5 -4,-0.5 -1,-0.1 0.836 84.4 49.9 -55.8 -39.2 3.8 0.3 -18.5 199 198 A E T >> S+ 0 0 171 -4,-0.4 4,-1.0 2,-0.2 3,-0.7 0.936 114.6 42.5 -65.4 -51.7 6.6 -2.1 -17.5 200 199 A K G >4 S+ 0 0 84 -4,-0.2 3,-0.6 1,-0.2 7,-0.4 0.921 112.6 53.1 -60.1 -48.2 5.8 -4.6 -20.3 201 200 A F G 3< S+ 0 0 15 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.484 98.3 64.1 -77.0 -3.7 5.3 -1.9 -23.0 202 201 A A G <4 S+ 0 0 78 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.866 85.3 83.4 -80.4 -42.0 8.7 -0.2 -22.3 203 202 A D S S+ 0 0 105 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.819 95.9 48.3 -56.6 -38.2 10.6 -3.1 -27.3 205 204 A V H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.788 112.9 46.0 -74.3 -32.4 10.3 -6.9 -27.9 206 205 A Q H > S+ 0 0 88 -3,-0.5 4,-2.4 -6,-0.3 5,-0.2 0.878 112.1 52.2 -77.5 -37.5 7.3 -7.3 -25.5 207 206 A R H X S+ 0 0 111 -4,-2.6 4,-2.6 -7,-0.4 -2,-0.2 0.899 112.1 46.0 -58.8 -44.2 5.6 -4.3 -27.1 208 207 A A H X S+ 0 0 51 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.877 109.8 54.0 -67.7 -39.9 6.1 -5.8 -30.5 209 208 A D H < S+ 0 0 103 -4,-1.7 4,-0.4 2,-0.2 -2,-0.2 0.942 113.0 43.3 -58.5 -49.3 4.8 -9.2 -29.4 210 209 A V H >< S+ 0 0 23 -4,-2.4 3,-1.9 1,-0.2 4,-0.2 0.929 112.1 52.8 -61.9 -48.4 1.6 -7.6 -28.1 211 210 A E H >< S+ 0 0 53 -4,-2.6 3,-1.4 1,-0.3 6,-0.3 0.793 100.1 63.3 -59.1 -27.7 1.3 -5.4 -31.2 212 211 A S T 3< S+ 0 0 73 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.684 98.8 55.7 -70.7 -17.2 1.5 -8.5 -33.3 213 212 A M T < S+ 0 0 84 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.411 95.5 79.6 -87.8 -3.9 -1.7 -9.7 -31.6 214 213 A I X - 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0 0 161 -3,-1.4 3,-2.2 -41,-0.1 4,-0.2 0.970 31.0-148.8 79.8 84.1 -34.7 -18.8 -30.0 518 254 B P G > S+ 0 0 30 0, 0.0 3,-1.7 0, 0.0 -41,-0.1 0.796 93.1 64.2 -44.5 -42.0 -38.2 -20.4 -29.0 519 255 B S G 3 S+ 0 0 60 1,-0.3 -2,-0.1 -43,-0.1 5,-0.0 0.657 94.8 61.2 -67.5 -11.5 -40.1 -17.1 -29.7 520 256 B F G X S+ 0 0 118 -3,-2.2 3,-1.5 3,-0.1 -1,-0.3 0.386 70.9 127.5 -99.9 4.0 -39.1 -17.3 -33.4 521 257 B Q G X S+ 0 0 80 -3,-1.7 3,-0.7 1,-0.2 -4,-0.0 -0.299 81.4 11.7 -54.5 141.9 -40.9 -20.6 -34.2 522 258 B A G 3 S- 0 0 124 1,-0.2 -1,-0.2 2,-0.0 -2,-0.1 0.365 130.0 -75.1 61.9 -4.7 -43.2 -20.4 -37.2 523 259 B G G < S+ 0 0 56 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.116 71.9 161.8 116.6 -22.8 -41.7 -16.9 -38.1 524 260 B R < 0 0 187 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.0 0.043 360.0 360.0 -30.5 125.0 -43.1 -14.3 -35.5 525 261 B G 0 0 134 -5,-0.0 -1,-0.2 0, 0.0 -5,-0.0 0.421 360.0 360.0 158.9 360.0 -40.8 -11.2 -35.5