==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-DEC-05 2DBQ . COMPND 2 MOLECULE: GLYOXYLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR S.YOSHIKAWA,R.ARAI,Y.KINOSHITA,T.UCHIKUBO-KAMO,R.AKASAKA,T.T . 333 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 32 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 2 3 1 1 1 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 5 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 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 1 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 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 X 0 0 120 0, 0.0 21,-0.1 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0 52.2 49.0 101.3 96.7 2 2 A K + 0 0 150 21,-0.1 22,-0.1 20,-0.1 21,-0.1 0.758 360.0 104.9 -85.7 -23.9 45.9 102.5 98.6 3 3 A P - 0 0 15 0, 0.0 21,-3.0 0, 0.0 2,-0.5 -0.299 67.3-134.5 -58.3 140.4 43.9 99.2 98.5 4 4 A K E -a 24 0A 75 19,-0.2 43,-2.2 41,-0.2 44,-2.1 -0.843 23.6-177.8-103.1 132.6 44.0 97.4 101.8 5 5 A V E -ab 25 48A 3 19,-2.4 21,-1.5 -2,-0.5 2,-0.5 -0.982 12.3-159.0-129.1 137.5 44.6 93.7 102.2 6 6 A F E -ab 26 49A 6 42,-1.5 44,-2.2 -2,-0.4 2,-0.5 -0.976 7.9-159.6-115.8 128.3 44.6 91.5 105.3 7 7 A I E -ab 27 50A 0 19,-2.8 21,-2.9 -2,-0.5 44,-0.2 -0.938 8.4-151.0-109.7 124.3 46.5 88.2 105.1 8 8 A T S S+ 0 0 0 42,-2.5 26,-0.4 -2,-0.5 2,-0.3 0.376 74.9 26.2 -79.6 4.5 45.4 85.6 107.7 9 9 A R S S- 0 0 59 41,-0.2 2,-2.0 24,-0.1 20,-0.1 -0.978 89.9 -95.3-160.4 154.5 48.8 83.8 108.0 10 10 A E + 0 0 142 -2,-0.3 3,-0.1 20,-0.2 19,-0.1 -0.513 52.8 178.4 -77.9 79.9 52.4 84.5 107.4 11 11 A I - 0 0 10 -2,-2.0 5,-0.2 1,-0.2 287,-0.1 -0.257 47.7 -51.6 -74.5 166.9 52.8 83.2 103.9 12 12 A P >> - 0 0 38 0, 0.0 3,-1.5 0, 0.0 4,-1.3 -0.075 50.2-126.5 -44.1 132.9 56.1 83.4 102.0 13 13 A E H 3> S+ 0 0 95 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.764 103.4 72.1 -53.9 -30.9 57.6 86.9 102.1 14 14 A V H 3> S+ 0 0 48 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.883 103.3 41.5 -55.2 -39.4 58.0 86.9 98.2 15 15 A G H <> S+ 0 0 0 -3,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.878 113.3 51.9 -76.2 -39.2 54.2 87.2 98.0 16 16 A I H X S+ 0 0 8 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.916 109.4 51.0 -63.3 -42.1 53.9 89.7 100.8 17 17 A K H X S+ 0 0 123 -4,-3.2 4,-0.8 1,-0.2 -1,-0.2 0.851 107.6 52.4 -65.5 -34.4 56.6 91.9 99.2 18 18 A X H >< S+ 0 0 43 -4,-1.2 3,-0.5 -5,-0.3 -1,-0.2 0.910 112.6 45.7 -66.4 -41.1 54.8 91.9 95.8 19 19 A L H >X S+ 0 0 1 -4,-1.9 4,-3.0 1,-0.2 3,-2.2 0.836 100.0 68.5 -70.3 -34.4 51.6 93.0 97.6 20 20 A E H 3< S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.791 96.6 54.7 -56.7 -30.9 53.3 95.7 99.6 21 21 A D T << S+ 0 0 111 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.493 122.0 27.1 -82.6 -2.3 54.0 97.7 96.5 22 22 A E T <4 S+ 0 0 40 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.555 123.4 32.2-130.7 -20.1 50.3 97.7 95.5 23 23 A F S < S- 0 0 1 -4,-3.0 2,-0.8 -21,-0.1 -19,-0.2 -0.847 79.3-106.1-133.7 170.0 48.3 97.5 98.7 24 24 A E E -a 4 0A 90 -21,-3.0 -19,-2.4 -2,-0.3 2,-0.3 -0.915 53.2-152.3 -96.0 110.9 48.5 98.5 102.4 25 25 A V E +a 5 0A 38 -2,-0.8 2,-0.4 -21,-0.2 -19,-0.2 -0.723 24.5 179.6 -98.9 141.0 49.3 95.0 103.8 26 26 A E E -a 6 0A 106 -21,-1.5 -19,-2.8 -2,-0.3 2,-0.4 -0.995 11.0-162.7-133.2 135.5 48.6 93.6 107.2 27 27 A V E -a 7 0A 47 -2,-0.4 2,-0.3 -21,-0.2 -19,-0.2 -0.969 18.7-130.5-129.9 121.7 49.6 90.0 108.2 28 28 A W + 0 0 39 -21,-2.9 -18,-0.2 -2,-0.4 6,-0.1 -0.482 29.6 174.6 -65.6 124.1 48.3 87.9 111.0 29 29 A G + 0 0 45 -2,-0.3 -1,-0.1 -20,-0.1 2,-0.1 0.170 27.6 124.2-122.9 21.5 51.3 86.5 112.9 30 30 A D - 0 0 89 2,-0.2 -20,-0.2 1,-0.1 4,-0.1 -0.395 68.4-118.0 -79.1 159.8 50.1 84.7 115.9 31 31 A E S S+ 0 0 163 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.922 97.6 54.8 -61.1 -44.6 50.9 81.0 116.6 32 32 A K S S- 0 0 157 1,-0.1 -2,-0.2 -3,-0.0 0, 0.0 -0.468 103.1 -84.1 -91.1 161.9 47.2 80.0 116.4 33 33 A E - 0 0 91 1,-0.1 -1,-0.1 -2,-0.1 -24,-0.1 -0.255 62.2 -84.9 -58.8 149.1 44.7 80.6 113.6 34 34 A I - 0 0 13 -26,-0.4 -1,-0.1 1,-0.1 -26,-0.0 -0.353 50.8-112.9 -61.1 128.8 43.0 84.0 113.8 35 35 A P > - 0 0 61 0, 0.0 4,-2.6 0, 0.0 3,-0.5 -0.326 19.0-119.8 -63.8 145.7 40.0 83.9 116.2 36 36 A R H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.903 113.3 53.4 -51.0 -47.8 36.6 84.3 114.7 37 37 A E H > S+ 0 0 155 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.861 112.1 44.8 -60.0 -36.1 35.9 87.5 116.7 38 38 A I H > S+ 0 0 53 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.862 109.3 55.7 -76.9 -35.1 39.1 89.1 115.5 39 39 A L H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.947 106.6 50.3 -60.7 -47.8 38.5 88.0 111.9 40 40 A L H < S+ 0 0 25 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.840 112.6 48.7 -59.6 -31.9 35.1 89.8 111.9 41 41 A K H >< S+ 0 0 140 -4,-1.0 3,-1.0 -5,-0.2 4,-0.2 0.934 111.1 48.8 -71.8 -47.6 36.9 92.8 113.3 42 42 A K H >< S+ 0 0 59 -4,-2.9 3,-0.7 1,-0.2 4,-0.4 0.791 104.0 58.1 -65.0 -32.9 39.7 92.8 110.7 43 43 A V T 3< S+ 0 0 0 -4,-2.1 24,-0.4 1,-0.2 25,-0.3 0.570 80.0 93.4 -77.3 -7.0 37.5 92.5 107.6 44 44 A K T < S+ 0 0 120 -3,-1.0 23,-0.3 -4,-0.3 -1,-0.2 0.826 100.4 19.3 -55.3 -37.8 35.6 95.6 108.4 45 45 A E S < S+ 0 0 92 -3,-0.7 -1,-0.2 -4,-0.2 -41,-0.2 0.466 95.7 116.8-114.5 -3.5 37.7 98.0 106.3 46 46 A V - 0 0 11 -4,-0.4 21,-0.3 -3,-0.2 -41,-0.2 -0.341 43.3-165.9 -73.9 149.2 39.6 95.7 103.9 47 47 A D S S+ 0 0 19 -43,-2.2 22,-3.0 1,-0.2 23,-1.0 0.690 80.7 23.0 -97.0 -29.8 39.2 95.7 100.1 48 48 A A E -bc 5 70A 0 -44,-2.1 -42,-1.5 20,-0.2 2,-0.3 -0.953 64.8-158.7-138.9 157.1 40.9 92.3 99.7 49 49 A L E -bc 6 71A 0 21,-2.1 23,-3.5 -2,-0.3 2,-0.5 -0.995 9.2-159.0-138.7 141.2 41.6 89.2 101.8 50 50 A V E -bc 7 72A 0 -44,-2.2 -42,-2.5 -2,-0.3 2,-0.2 -0.979 31.8-176.1-119.2 113.1 44.1 86.4 101.5 51 51 A T E - c 0 73A 0 21,-1.7 23,-3.1 -2,-0.5 2,-0.2 -0.711 23.0-143.6-115.3 162.4 42.8 83.4 103.5 52 52 A X > - 0 0 20 -2,-0.2 3,-1.6 21,-0.2 23,-0.1 -0.636 41.7 -98.9-110.2 171.9 43.7 79.9 104.6 53 53 A L T 3 S+ 0 0 50 21,-0.3 22,-0.1 1,-0.3 -1,-0.0 0.787 118.2 71.7 -63.2 -26.2 41.4 76.9 104.8 54 54 A S T 3 S+ 0 0 63 2,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.651 84.6 79.5 -64.5 -16.7 41.1 77.6 108.6 55 55 A E S < S- 0 0 5 -3,-1.6 2,-1.0 2,-0.0 -4,-0.0 -0.856 73.8-146.9 -99.6 120.8 39.0 80.6 107.9 56 56 A R - 0 0 133 -2,-0.6 2,-1.5 1,-0.1 5,-0.2 -0.746 10.5-163.7 -87.1 101.6 35.3 80.0 107.1 57 57 A I B +f 81 0B 0 23,-2.3 25,-2.6 -2,-1.0 2,-0.1 -0.629 34.4 144.6 -89.5 80.7 34.4 82.8 104.6 58 58 A D >> - 0 0 35 -2,-1.5 4,-2.0 23,-0.2 3,-0.6 -0.314 68.2 -75.3-105.9-171.3 30.6 82.6 104.8 59 59 A K H 3> S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.839 126.6 60.4 -57.0 -35.4 27.7 85.0 104.7 60 60 A E H 3> S+ 0 0 83 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.894 106.3 46.4 -61.1 -40.4 28.5 86.3 108.2 61 61 A V H X4 S+ 0 0 0 -3,-0.6 3,-1.0 2,-0.2 4,-0.5 0.947 113.0 49.1 -66.9 -47.2 32.0 87.4 107.1 62 62 A F H >< S+ 0 0 2 -4,-2.0 3,-1.3 1,-0.3 -2,-0.2 0.896 106.1 56.7 -58.9 -40.9 30.6 89.1 104.0 63 63 A E H 3< S+ 0 0 112 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.744 112.3 43.6 -62.5 -22.1 27.9 90.9 106.1 64 64 A N T << S+ 0 0 70 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.388 103.7 68.0-103.4 0.8 30.8 92.3 108.1 65 65 A A X + 0 0 4 -3,-1.3 3,-0.7 -4,-0.5 -1,-0.2 -0.654 54.0 167.2-123.5 75.0 33.1 93.2 105.2 66 66 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.674 79.7 41.4 -60.6 -23.1 31.3 96.1 103.3 67 67 A K T 3 S+ 0 0 89 -24,-0.4 -22,-0.1 -23,-0.3 -23,-0.1 0.573 83.1 122.8-102.8 -12.2 34.4 97.0 101.2 68 68 A L < + 0 0 6 -3,-0.7 -20,-0.2 -25,-0.3 -21,-0.2 -0.270 21.2 157.9 -56.0 125.8 35.6 93.4 100.4 69 69 A R + 0 0 71 -22,-3.0 23,-2.6 1,-0.3 2,-0.3 0.508 61.0 30.3-126.3 -13.5 35.8 92.8 96.7 70 70 A I E -cd 48 92A 0 -23,-1.0 -21,-2.1 21,-0.2 2,-0.5 -0.961 52.8-166.5-154.2 133.5 38.2 89.9 96.3 71 71 A V E -cd 49 93A 0 21,-2.9 23,-2.6 -2,-0.3 2,-0.7 -0.981 9.1-163.3-120.3 119.6 39.2 86.9 98.4 72 72 A A E -cd 50 94A 0 -23,-3.5 -21,-1.7 -2,-0.5 2,-0.3 -0.913 11.0-149.5-106.6 111.3 42.3 85.0 97.4 73 73 A N E -c 51 0A 0 21,-3.2 2,-1.4 -2,-0.7 -21,-0.2 -0.625 9.8-143.0 -79.5 134.1 42.5 81.5 99.0 74 74 A Y S S+ 0 0 20 -23,-3.1 -21,-0.3 -2,-0.3 2,-0.3 -0.637 83.3 61.5 -94.5 71.1 46.1 80.3 99.7 75 75 A A S S- 0 0 10 -2,-1.4 21,-2.1 -23,-0.1 -2,-0.1 -0.895 83.9-123.7 178.4 160.1 44.9 76.8 98.7 76 76 A V S S+ 0 0 30 19,-0.3 2,-0.1 -2,-0.3 -1,-0.1 0.777 93.6 73.7 -91.1 -29.7 43.5 75.1 95.6 77 77 A G - 0 0 12 19,-0.1 19,-0.1 1,-0.1 3,-0.0 -0.425 56.5-175.2 -78.3 158.3 40.4 73.9 97.4 78 78 A Y > + 0 0 96 136,-0.1 3,-1.5 -2,-0.1 5,-0.2 -0.005 43.1 122.2-144.9 32.8 37.7 76.5 98.3 79 79 A D T 3 S+ 0 0 71 1,-0.3 -2,-0.0 3,-0.1 -1,-0.0 0.556 73.2 66.4 -73.0 -5.2 35.1 74.5 100.3 80 80 A N T 3 S+ 0 0 17 -24,-0.1 -23,-2.3 2,-0.0 2,-0.4 0.446 93.1 73.6 -93.0 -1.0 35.8 77.1 103.1 81 81 A I B < S-f 57 0B 11 -3,-1.5 2,-1.8 -25,-0.2 -23,-0.2 -0.947 79.8-131.4-120.1 133.6 34.3 79.8 101.0 82 82 A D > + 0 0 61 -25,-2.6 4,-2.3 -2,-0.4 5,-0.1 -0.625 31.5 179.0 -79.7 87.4 30.6 80.4 100.2 83 83 A I H > S+ 0 0 36 -2,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.857 74.8 54.1 -60.2 -39.9 31.1 80.9 96.5 84 84 A E H > S+ 0 0 163 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 111.4 44.7 -62.1 -45.4 27.5 81.4 95.7 85 85 A E H > S+ 0 0 18 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.900 112.7 52.3 -65.9 -42.1 27.2 84.3 98.2 86 86 A A H <>S+ 0 0 0 -4,-2.3 5,-2.9 2,-0.2 3,-0.4 0.958 109.5 48.2 -59.4 -51.7 30.4 85.8 97.0 87 87 A T H ><5S+ 0 0 17 -4,-2.7 3,-2.0 1,-0.2 -1,-0.2 0.917 108.3 54.7 -54.5 -47.6 29.3 85.9 93.4 88 88 A K H 3<5S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.848 110.0 47.6 -54.6 -37.9 26.0 87.4 94.3 89 89 A R T 3<5S- 0 0 86 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.414 118.5-111.8 -86.1 1.3 27.9 90.2 96.1 90 90 A G T < 5 + 0 0 1 -3,-2.0 2,-0.5 -4,-0.4 -3,-0.2 0.734 67.3 150.8 74.5 20.7 30.2 90.7 93.1 91 91 A I < - 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0 0 47 -2,-0.6 4,-1.3 1,-0.0 3,-0.2 -0.799 67.7 -89.0-139.9-178.9 31.2 69.0 97.7 216 216 A R T 4 S+ 0 0 234 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.863 128.5 49.9 -63.0 -34.3 27.7 67.8 98.6 217 217 A E T 4 S+ 0 0 138 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.1 0.723 113.3 42.5 -77.8 -25.1 28.3 65.0 96.1 218 218 A T T >4 S+ 0 0 19 -3,-0.2 3,-1.9 -5,-0.1 4,-0.3 0.542 81.1 122.0 -99.4 -8.3 31.7 63.9 97.4 219 219 A Y T 3< S- 0 0 120 -4,-1.3 25,-0.3 1,-0.3 27,-0.1 -0.367 95.5 -10.1 -58.3 122.1 30.8 64.1 101.1 220 220 A H T 3 S+ 0 0 40 23,-3.2 -1,-0.3 -2,-0.2 25,-0.2 0.865 84.6 154.8 52.6 40.5 31.4 60.6 102.6 221 221 A L < + 0 0 20 -3,-1.9 2,-1.2 23,-0.6 24,-0.2 0.895 67.4 58.2 -61.6 -40.8 31.8 59.2 99.1 222 222 A I B S+m 245 0D 0 22,-2.3 24,-2.7 -4,-0.3 -1,-0.2 -0.775 81.3 150.8 -94.2 93.3 33.9 56.4 100.7 223 223 A N > - 0 0 27 -2,-1.2 4,-2.4 22,-0.2 5,-0.2 -0.442 64.2 -78.5-111.1-173.1 31.4 55.0 103.1 224 224 A E H > S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.891 127.7 55.0 -56.9 -41.8 30.9 51.5 104.6 225 225 A E H > S+ 0 0 144 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.938 113.0 40.4 -57.6 -50.1 29.2 50.3 101.5 226 226 A R H > S+ 0 0 75 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.807 108.9 59.0 -72.2 -30.3 32.1 51.2 99.2 227 227 A L H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.863 102.8 55.5 -66.2 -32.8 34.8 50.1 101.7 228 228 A K H < S+ 0 0 123 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.767 101.5 58.5 -69.3 -24.6 33.3 46.6 101.5 229 229 A L H < S+ 0 0 43 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.780 89.7 91.4 -75.0 -28.0 33.7 46.7 97.7 230 230 A X S < S- 0 0 8 -4,-1.0 -27,-0.2 -3,-0.4 -28,-0.1 -0.232 90.1 -94.3 -67.8 156.7 37.5 47.2 97.9 231 231 A K > - 0 0 72 -29,-0.7 3,-1.3 -26,-0.6 29,-0.4 -0.385 27.3-125.9 -67.4 149.0 39.9 44.3 97.9 232 232 A K T 3 S+ 0 0 158 1,-0.3 -1,-0.1 27,-0.2 -2,-0.1 0.666 114.7 50.2 -70.9 -13.2 41.0 43.1 101.4 233 233 A T T 3 S+ 0 0 64 26,-0.2 -1,-0.3 27,-0.1 2,-0.1 0.398 92.1 108.6-101.1 -1.1 44.6 43.7 100.2 234 234 A A < - 0 0 0 -3,-1.3 26,-2.5 24,-0.2 27,-1.0 -0.409 57.5-144.0 -80.7 153.9 43.9 47.2 98.9 235 235 A I E -jk 207 261C 3 -29,-1.6 -27,-2.6 25,-0.2 2,-0.5 -0.957 6.6-142.8-121.1 135.4 45.1 50.4 100.4 236 236 A L E -jk 208 262C 0 25,-2.2 27,-2.6 -2,-0.4 2,-0.5 -0.849 13.7-168.7 -99.7 130.2 43.2 53.7 100.5 237 237 A I E -jk 209 263C 0 -29,-3.2 -27,-2.8 -2,-0.5 2,-0.5 -0.977 1.5-171.4-120.2 124.1 45.1 57.0 100.1 238 238 A N E +jk 210 264C 2 25,-2.8 27,-2.6 -2,-0.5 28,-0.7 -0.936 29.2 143.8-121.2 111.6 43.4 60.3 100.8 239 239 A I + 0 0 12 -29,-1.4 -1,-0.1 -2,-0.5 -28,-0.1 0.180 66.3 74.2-121.8 10.9 45.0 63.7 99.9 240 240 A A S S- 0 0 8 1,-0.2 2,-0.3 -30,-0.2 -26,-0.1 0.879 107.2 -40.3 -85.9 -93.8 41.7 65.3 99.0 241 241 A R > - 0 0 31 -28,-0.1 3,-1.5 25,-0.1 4,-0.3 -0.994 42.6-127.9-142.0 143.3 39.5 66.3 101.9 242 242 A G G > S+ 0 0 4 25,-0.7 3,-2.1 -2,-0.3 26,-0.4 0.886 106.1 61.4 -58.8 -40.7 38.8 64.4 105.1 243 243 A K G 3 S+ 0 0 76 24,-0.4 -23,-3.2 1,-0.3 -1,-0.3 0.495 85.8 75.3 -67.9 -3.1 35.0 64.6 104.7 244 244 A V G < S+ 0 0 0 -3,-1.5 -22,-2.3 -25,-0.3 -23,-0.6 0.670 96.9 58.8 -78.6 -16.2 35.2 62.7 101.5 245 245 A V B < S-m 222 0D 3 -3,-2.1 2,-1.4 -4,-0.3 -22,-0.2 -0.934 84.3-130.4-118.2 134.8 35.8 59.6 103.7 246 246 A D > - 0 0 40 -24,-2.7 4,-2.4 -2,-0.4 3,-0.3 -0.682 26.5-164.5 -79.8 95.0 33.4 58.3 106.5 247 247 A T H > S+ 0 0 8 -2,-1.4 4,-2.7 1,-0.2 5,-0.2 0.856 84.1 51.6 -52.2 -43.4 36.2 58.0 109.2 248 248 A N H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 112.2 47.6 -61.7 -41.0 34.1 55.8 111.5 249 249 A A H > S+ 0 0 6 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.889 111.6 50.8 -66.2 -39.1 33.5 53.4 108.6 250 250 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.922 109.0 49.8 -64.6 -46.0 37.2 53.5 107.6 251 251 A V H X S+ 0 0 12 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.875 111.9 49.5 -60.5 -38.1 38.3 52.7 111.1 252 252 A K H X S+ 0 0 81 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.929 110.1 50.7 -66.4 -44.7 35.8 49.8 111.2 253 253 A A H X>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 6,-1.0 0.871 112.8 46.2 -60.6 -39.7 37.1 48.6 107.8 254 254 A L H ><5S+ 0 0 10 -4,-2.4 3,-0.6 3,-0.2 -1,-0.2 0.920 113.9 46.9 -71.1 -44.2 40.7 48.6 109.0 255 255 A K H 3<5S+ 0 0 121 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.874 117.3 43.9 -65.9 -36.4 40.0 46.9 112.3 256 256 A E H 3<5S- 0 0 118 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.499 112.9-117.6 -87.6 -3.9 37.9 44.2 110.6 257 257 A G T <<5 + 0 0 34 -3,-0.6 -3,-0.2 -4,-0.5 -4,-0.1 0.752 68.9 138.4 76.3 23.8 40.4 43.8 107.7 258 258 A W S - 0 0 25 -2,-0.3 4,-2.9 1,-0.1 3,-0.3 -0.814 20.3-162.3-147.6 98.9 41.0 59.8 117.0 275 275 A E H > S+ 0 0 105 -2,-0.3 4,-0.8 1,-0.2 -1,-0.1 0.854 91.8 49.8 -50.3 -44.9 42.3 57.2 119.5 276 276 A E H > S+ 0 0 83 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.876 114.1 45.1 -65.0 -38.8 41.0 54.2 117.6 277 277 A L H >4 S+ 0 0 0 -3,-0.3 3,-1.2 1,-0.2 -2,-0.2 0.934 110.6 53.2 -70.1 -45.9 42.5 55.4 114.3 278 278 A F H 3< S+ 0 0 77 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.607 100.6 62.4 -66.6 -13.6 45.9 56.3 115.8 279 279 A K H 3< S+ 0 0 148 -4,-0.8 2,-0.3 -3,-0.3 -1,-0.2 0.709 81.7 98.2 -82.8 -24.0 46.2 52.8 117.4 280 280 A L X< - 0 0 31 -3,-1.2 3,-0.7 -4,-0.5 -25,-0.0 -0.504 58.1-161.5 -70.9 125.4 46.3 51.1 114.0 281 281 A D T 3 S+ 0 0 103 -2,-0.3 -160,-0.2 1,-0.2 -1,-0.1 0.421 83.9 69.8 -87.1 3.0 49.7 50.3 112.7 282 282 A N T 3 S+ 0 0 32 -161,-0.0 -20,-1.7 2,-0.0 2,-0.3 0.077 87.0 79.7-106.1 23.1 48.5 49.9 109.1 283 283 A V E < -l 262 0C 16 -3,-0.7 2,-0.4 -22,-0.2 -20,-0.2 -0.942 60.6-156.1-127.0 150.4 47.8 53.6 108.6 284 284 A V E -l 263 0C 16 -22,-2.0 -20,-2.8 -2,-0.3 2,-0.4 -0.997 16.2-165.7-125.8 131.3 50.1 56.5 107.9 285 285 A L E +l 264 0C 60 -2,-0.4 -20,-0.2 -22,-0.2 -22,-0.0 -0.946 12.5 176.9-124.8 141.0 49.1 60.0 108.8 286 286 A T - 0 0 24 -22,-2.1 2,-1.7 -2,-0.4 4,-0.1 -0.989 37.6-113.8-138.3 144.8 50.3 63.5 107.9 287 287 A P S S- 0 0 106 0, 0.0 -21,-0.1 0, 0.0 -22,-0.1 -0.432 71.8 -69.9 -80.3 68.1 48.9 66.9 108.9 288 288 A H S S+ 0 0 52 -2,-1.7 3,-0.2 -23,-1.6 -22,-0.1 0.936 85.0 146.5 47.7 56.5 47.7 68.3 105.6 289 289 A I > + 0 0 60 1,-0.2 3,-1.7 2,-0.1 -1,-0.1 0.070 21.4 122.3-107.0 20.9 51.2 68.8 104.3 290 290 A G T 3 S+ 0 0 6 1,-0.3 -183,-0.4 -25,-0.2 -1,-0.2 0.893 84.8 31.4 -50.1 -47.4 50.3 68.0 100.7 291 291 A S T 3 S+ 0 0 16 -3,-0.2 2,-2.0 1,-0.1 -1,-0.3 0.196 85.9 121.3 -98.6 17.4 51.6 71.3 99.3 292 292 A A < + 0 0 57 -3,-1.7 2,-0.3 4,-0.1 -1,-0.1 -0.364 39.7 114.7 -80.8 60.8 54.3 71.7 102.0 293 293 A S S > S- 0 0 45 -2,-2.0 4,-2.5 1,-0.1 5,-0.3 -0.924 75.7-116.9-124.6 153.1 57.3 71.9 99.6 294 294 A F H > S+ 0 0 199 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.919 115.3 47.1 -54.4 -45.5 59.6 74.9 99.1 295 295 A G H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.895 112.6 47.4 -65.2 -42.5 58.5 75.3 95.5 296 296 A A H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.939 110.8 50.7 -65.4 -48.9 54.7 74.9 96.1 297 297 A R H X S+ 0 0 78 -4,-2.5 4,-1.9 -6,-0.2 -1,-0.2 0.906 114.5 45.2 -56.5 -42.5 54.7 77.4 99.0 298 298 A E H X S+ 0 0 90 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.948 112.9 48.5 -67.9 -49.8 56.6 79.9 96.9 299 299 A G H X S+ 0 0 12 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.896 111.4 51.7 -56.8 -40.8 54.5 79.5 93.8 300 300 A X H X S+ 0 0 3 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.903 109.4 49.6 -62.2 -43.2 51.3 79.8 95.9 301 301 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.907 113.2 45.8 -63.8 -43.9 52.5 83.0 97.5 302 302 A E H X S+ 0 0 69 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.902 112.5 51.6 -66.6 -40.5 53.4 84.6 94.1 303 303 A L H X S+ 0 0 23 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.897 106.5 52.5 -64.2 -42.1 50.1 83.4 92.6 304 304 A V H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.931 113.2 45.4 -59.4 -44.0 48.0 84.9 95.4 305 305 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.910 109.2 55.2 -65.2 -43.3 49.8 88.3 94.8 306 306 A K H X S+ 0 0 117 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.898 108.3 49.9 -56.2 -43.4 49.4 88.0 91.0 307 307 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.917 113.4 43.7 -63.6 -46.0 45.6 87.6 91.4 308 308 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.894 115.8 47.5 -68.5 -39.8 45.2 90.6 93.7 309 309 A I H X S+ 0 0 19 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.880 111.0 51.1 -69.2 -38.0 47.5 92.8 91.6 310 310 A A H <>S+ 0 0 7 -4,-2.3 5,-2.6 -5,-0.3 -2,-0.2 0.939 111.1 49.7 -62.9 -45.1 45.7 91.8 88.4 311 311 A F H ><5S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.905 107.0 53.7 -59.5 -45.5 42.4 92.7 90.0 312 312 A K H 3<5S+ 0 0 55 -4,-2.3 21,-0.3 1,-0.3 -1,-0.2 0.878 106.4 54.2 -57.7 -37.1 43.6 96.1 91.2 313 313 A R T 3<5S- 0 0 150 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.312 123.1-105.7 -81.3 9.0 44.6 96.8 87.6 314 314 A G T < 5S+ 0 0 40 -3,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.679 80.0 129.7 75.7 18.4 41.1 96.0 86.3 315 315 A E < - 0 0 99 -5,-2.6 -1,-0.3 -6,-0.2 17,-0.1 -0.651 68.8 -99.4-102.4 159.6 42.2 92.7 84.9 316 316 A I - 0 0 83 -2,-0.2 -5,-0.0 -3,-0.1 -1,-0.0 -0.665 47.9-108.0 -78.1 126.8 40.5 89.3 85.4 317 317 A P > - 0 0 1 0, 0.0 3,-1.2 0, 0.0 -10,-0.1 -0.291 24.0-123.7 -56.0 138.6 42.5 87.4 88.0 318 318 A P T 3 S+ 0 0 74 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.842 106.7 32.4 -51.5 -43.0 44.5 84.5 86.5 319 319 A T T 3 S+ 0 0 20 -16,-0.2 -224,-1.6 -224,-0.1 2,-0.3 -0.373 79.2 163.8-118.0 55.3 42.9 81.8 88.7 320 320 A L B < -E 94 0A 5 -3,-1.2 3,-0.3 -226,-0.2 -226,-0.2 -0.566 21.0-164.9 -72.9 129.4 39.3 83.2 89.3 321 321 A V S S+ 0 0 34 -228,-3.5 2,-0.7 -2,-0.3 -227,-0.1 0.854 80.1 45.7 -84.4 -39.5 37.0 80.5 90.6 322 322 A N > + 0 0 10 -229,-0.7 3,-2.0 1,-0.1 4,-0.3 -0.681 61.8 171.9-109.5 78.2 33.7 82.1 90.0 323 323 A R T > S+ 0 0 135 -2,-0.7 3,-1.0 -3,-0.3 4,-0.4 0.638 70.2 74.4 -61.6 -15.8 33.8 83.6 86.5 324 324 A E T >> S+ 0 0 158 1,-0.2 3,-0.8 2,-0.2 4,-0.8 0.773 82.7 71.4 -67.0 -24.4 30.1 84.5 86.6 325 325 A V H <> S+ 0 0 0 -3,-2.0 4,-2.5 1,-0.2 3,-0.4 0.782 81.2 71.8 -62.7 -27.6 31.1 87.3 88.9 326 326 A I H <4 S+ 0 0 49 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.890 100.0 45.3 -56.1 -41.4 32.7 89.2 86.0 327 327 A K H <4 S+ 0 0 200 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.744 111.1 55.2 -73.9 -24.3 29.3 89.9 84.5 328 328 A I H < S- 0 0 99 -4,-0.8 2,-0.3 -3,-0.4 -2,-0.2 0.913 129.4 -5.3 -73.9 -45.3 28.0 91.0 88.0 329 329 A R S < S- 0 0 93 -4,-2.5 -1,-0.3 -239,-0.0 3,-0.1 -0.943 74.7-117.2-154.9 129.3 30.8 93.6 88.5 330 330 A K - 0 0 178 -2,-0.3 -15,-0.1 -3,-0.2 -3,-0.1 -0.322 48.0 -89.6 -64.9 146.6 33.9 94.5 86.5 331 331 A P S S+ 0 0 24 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.230 80.9 73.7 -59.6 143.3 37.3 93.9 88.2 332 332 A G 0 0 14 1,-0.1 -20,-0.2 -263,-0.1 -19,-0.1 -0.548 360.0 360.0 134.3 160.8 38.7 96.7 90.3 333 333 A F 0 0 75 -21,-0.3 -1,-0.1 -2,-0.2 -21,-0.1 0.731 360.0 360.0 -98.4 360.0 38.4 98.6 93.7