==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-AUG-12 4GI5 . COMPND 2 MOLECULE: QUINONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR P.R.KUMAR,M.AHMED,N.BANU,R.BHOSLE,J.BONANNO,S.CHAMALA,S.CHOW . 520 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 6 1.2 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 . 2 0.4 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 . 34 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 4.0 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 4 0 0 0 0 0 2 2 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 0 2 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 PARALLEL BRIDGES PER LADDER . 8 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 S 0 0 111 0, 0.0 32,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 106.7 55.9 34.4 79.7 2 1 A X - 0 0 58 91,-0.0 32,-2.7 90,-0.0 2,-0.6 -0.380 360.0-125.2-111.7 164.9 58.5 31.6 79.0 3 2 A K E -a 34 0A 66 30,-0.2 90,-2.5 -2,-0.1 91,-1.7 -0.979 31.8-172.0-115.7 113.1 60.8 29.5 81.1 4 3 A V E -ab 35 94A 2 30,-3.0 32,-2.5 -2,-0.6 2,-0.5 -0.952 10.5-160.8-113.9 130.4 64.4 29.8 79.7 5 4 A L E -ab 36 95A 0 89,-2.7 91,-2.9 -2,-0.4 2,-0.6 -0.955 7.1-160.0-107.4 126.0 67.4 27.7 80.9 6 5 A L E -ab 37 96A 6 30,-2.5 32,-3.6 -2,-0.5 2,-0.6 -0.935 3.1-163.5-106.6 119.9 70.8 29.0 80.2 7 6 A I E -ab 38 97A 0 89,-3.3 91,-2.9 -2,-0.6 2,-0.4 -0.923 20.8-172.0-102.5 120.7 73.7 26.5 80.3 8 7 A Y E -ab 39 98A 2 30,-2.8 32,-2.3 -2,-0.6 2,-0.5 -0.960 17.7-173.5-130.9 126.2 76.9 28.7 80.5 9 8 A A + 0 0 0 89,-2.2 101,-0.1 -2,-0.4 30,-0.1 -0.798 35.7 112.0-125.4 96.5 80.5 27.7 80.3 10 9 A H - 0 0 12 -2,-0.5 31,-0.2 89,-0.1 302,-0.1 -0.903 49.3-145.1-155.2 139.6 83.2 30.2 80.9 11 10 A P S S+ 0 0 25 0, 0.0 302,-0.2 0, 0.0 314,-0.1 0.634 81.3 63.0 -78.3 -12.2 85.7 30.4 83.8 12 11 A E > - 0 0 32 1,-0.1 3,-1.8 300,-0.1 6,-0.4 -0.910 61.5-157.6-124.6 118.9 86.0 34.2 84.3 13 12 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 311,-0.0 0.785 94.2 55.7 -63.8 -27.0 83.0 36.4 85.2 14 13 A R T 3 S+ 0 0 148 4,-0.1 310,-0.0 311,-0.1 5,-0.0 0.340 87.3 115.0 -87.5 6.3 84.5 39.5 83.8 15 14 A S S <> S- 0 0 7 -3,-1.8 4,-2.4 1,-0.1 5,-0.2 -0.177 85.6-104.5 -67.3 168.5 85.0 37.9 80.4 16 15 A L H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.928 126.6 52.0 -56.1 -49.8 83.2 38.9 77.2 17 16 A N H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.918 106.5 53.1 -57.7 -42.4 81.1 35.8 77.7 18 17 A G H > S+ 0 0 0 -6,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.920 109.0 49.3 -59.6 -35.8 80.3 36.9 81.2 19 18 A A H X S+ 0 0 38 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.908 112.8 46.3 -69.3 -44.8 79.1 40.3 79.9 20 19 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.910 111.1 53.3 -59.9 -39.3 76.9 38.6 77.2 21 20 A K H X S+ 0 0 27 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.927 110.9 46.2 -63.7 -50.4 75.5 36.2 79.8 22 21 A N H X S+ 0 0 50 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.902 111.9 51.1 -63.0 -41.4 74.5 39.0 82.1 23 22 A F H X S+ 0 0 63 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.892 111.4 47.5 -56.2 -47.9 73.0 41.0 79.3 24 23 A A H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.909 111.2 50.0 -66.0 -40.1 70.9 38.1 78.2 25 24 A I H X S+ 0 0 25 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.955 115.0 43.6 -64.1 -48.9 69.6 37.2 81.6 26 25 A R H X S+ 0 0 146 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.892 112.7 52.2 -65.4 -43.5 68.6 40.8 82.3 27 26 A H H X S+ 0 0 36 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.916 112.4 45.1 -56.7 -48.0 67.1 41.2 78.9 28 27 A L H <>S+ 0 0 7 -4,-2.3 5,-2.4 2,-0.2 -2,-0.2 0.930 113.8 48.9 -63.4 -43.4 65.0 38.1 79.3 29 28 A Q H ><5S+ 0 0 106 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.892 108.9 53.7 -65.9 -38.4 63.9 39.0 82.8 30 29 A Q H 3<5S+ 0 0 156 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.826 104.0 57.2 -67.0 -28.8 62.9 42.5 81.7 31 30 A A T 3<5S- 0 0 58 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.451 126.4-101.4 -77.0 -5.2 60.8 41.0 79.1 32 31 A G T < 5S+ 0 0 46 -3,-1.9 -3,-0.2 1,-0.3 2,-0.1 0.446 77.3 134.1 100.3 4.5 58.8 39.1 81.7 33 32 A H < - 0 0 51 -5,-2.4 2,-0.4 -32,-0.1 -1,-0.3 -0.516 54.9-123.3 -91.6 155.1 60.5 35.6 81.3 34 33 A E E -a 3 0A 101 -32,-2.7 -30,-3.0 -2,-0.1 2,-0.4 -0.803 29.9-163.8 -93.9 135.6 61.7 33.3 84.0 35 34 A V E -a 4 0A 26 -2,-0.4 2,-0.4 -32,-0.2 -30,-0.2 -0.987 14.3-175.4-126.7 131.2 65.4 32.3 83.8 36 35 A Q E -a 5 0A 72 -32,-2.5 -30,-2.5 -2,-0.4 2,-0.4 -0.947 16.3-155.6-119.1 149.7 67.3 29.6 85.4 37 36 A V E -a 6 0A 47 -2,-0.4 2,-0.6 -32,-0.2 -30,-0.2 -0.976 18.1-162.1-125.8 141.1 71.1 29.4 84.9 38 37 A S E -a 7 0A 0 -32,-3.6 -30,-2.8 -2,-0.4 2,-1.2 -0.843 12.8-173.6-120.2 96.4 73.6 26.6 85.1 39 38 A D E > -a 8 0A 38 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 -0.772 9.3-163.8 -93.2 96.6 76.9 28.4 85.4 40 39 A L T 4>S+ 0 0 0 -32,-2.3 5,-2.5 -2,-1.2 4,-0.2 0.864 82.5 44.3 -58.7 -46.0 79.0 25.3 85.1 41 40 A Y T >45S+ 0 0 27 -33,-0.4 3,-1.4 -31,-0.2 -1,-0.2 0.914 112.9 52.1 -66.6 -37.9 82.3 26.7 86.5 42 41 A A T 345S+ 0 0 71 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.844 112.4 46.9 -66.8 -35.6 80.5 28.6 89.4 43 42 A X T 3<5S- 0 0 79 -4,-2.4 -1,-0.3 2,-0.0 -2,-0.2 0.425 109.4-125.7 -79.4 -3.1 78.9 25.2 90.3 44 43 A R T < 5 - 0 0 212 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.927 36.2-153.4 52.4 49.4 82.2 23.3 90.0 45 44 A W < - 0 0 19 -5,-2.5 2,-0.5 -6,-0.1 -1,-0.2 -0.291 11.3-124.0 -59.8 133.0 80.5 21.0 87.6 46 45 A K - 0 0 64 1,-0.1 70,-0.1 -3,-0.1 -1,-0.1 -0.639 28.4-174.9 -76.1 120.2 82.0 17.5 87.5 47 46 A A + 0 0 11 -2,-0.5 2,-0.8 1,-0.1 323,-0.3 0.801 54.8 80.7 -90.0 -30.3 82.9 16.9 83.8 48 47 A G S S- 0 0 13 322,-0.1 -1,-0.1 323,-0.1 2,-0.1 -0.723 71.5-140.9 -89.3 106.8 84.1 13.2 83.7 49 48 A Y + 0 0 19 -2,-0.8 2,-0.3 2,-0.1 322,-0.1 -0.369 43.3 143.2 -58.5 124.2 81.3 10.7 83.5 50 49 A D > - 0 0 34 -2,-0.1 3,-2.1 222,-0.1 4,-0.2 -0.931 64.5 -72.9-153.7-171.1 82.2 7.7 85.7 51 50 A A G > S+ 0 0 44 1,-0.3 3,-1.3 -2,-0.3 5,-0.4 0.707 116.1 71.5 -69.1 -22.0 80.9 5.0 88.1 52 51 A D G 3 S+ 0 0 130 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.653 91.5 63.0 -63.2 -14.2 80.4 7.5 91.0 53 52 A D G < S+ 0 0 5 -3,-2.1 26,-2.1 1,-0.2 -1,-0.2 0.598 89.6 63.9 -85.1 -14.9 77.5 8.9 89.0 54 53 A S S < S- 0 0 4 -3,-1.3 -1,-0.2 24,-0.2 23,-0.1 0.538 88.0-140.8 -92.7 -12.6 75.3 5.9 89.0 55 54 A G S S+ 0 0 53 -3,-0.4 -3,-0.1 -4,-0.3 23,-0.1 0.652 72.4 62.2 74.3 16.2 74.7 5.7 92.8 56 55 A A S S- 0 0 38 -5,-0.4 -2,-0.2 12,-0.0 3,-0.1 -0.982 91.3 -82.3-164.2 158.4 74.8 1.8 92.8 57 56 A P S S- 0 0 103 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.223 71.6 -64.2 -62.3 166.6 77.2 -1.0 92.2 58 57 A P - 0 0 63 0, 0.0 5,-0.1 0, 0.0 -7,-0.0 -0.151 37.1-141.1 -56.9 134.9 77.7 -2.2 88.6 59 58 A V S S+ 0 0 70 -3,-0.1 2,-0.1 5,-0.1 4,-0.1 0.895 85.2 16.3 -65.9 -35.6 74.6 -3.7 87.1 60 59 A G S S- 0 0 44 2,-0.4 3,-0.0 4,-0.0 4,-0.0 -0.197 116.5 -54.6-113.0-145.7 76.7 -6.5 85.3 61 60 A E S S+ 0 0 155 -2,-0.1 2,-0.3 1,-0.1 0, 0.0 0.834 123.2 7.0 -69.9 -33.0 80.2 -7.9 85.7 62 61 A F S S- 0 0 59 -5,-0.1 -2,-0.4 214,-0.1 -1,-0.1 -0.950 96.0 -84.3-149.8 149.8 81.8 -4.5 85.3 63 62 A W - 0 0 6 -2,-0.3 213,-0.1 -5,-0.1 3,-0.1 -0.371 42.1-164.7 -58.2 138.6 80.4 -0.9 85.2 64 63 A R >> - 0 0 79 1,-0.1 4,-2.2 213,-0.1 5,-0.5 -0.997 23.2-136.7-130.3 129.2 79.3 0.1 81.7 65 64 A P H >5S+ 0 0 15 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.876 104.3 39.6 -51.7 -39.1 78.7 3.8 80.8 66 65 A T H >5S+ 0 0 21 2,-0.1 4,-2.0 3,-0.1 3,-0.4 0.987 119.4 37.5 -72.8 -66.1 75.5 2.7 78.9 67 66 A L H >5S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.842 114.2 54.8 -66.0 -30.8 73.8 0.0 81.0 68 67 A D H X5S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.840 108.9 49.4 -75.7 -24.8 74.6 1.5 84.3 69 68 A S H XS+ 0 0 3 -4,-2.4 5,-2.2 1,-0.2 4,-1.1 0.897 114.0 43.7 -65.5 -39.6 70.4 4.6 87.5 73 72 A F H <5S+ 0 0 66 -4,-3.0 3,-0.3 47,-0.2 -1,-0.2 0.913 116.8 46.2 -70.6 -43.3 67.9 6.6 85.6 74 73 A A H <5S+ 0 0 73 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.879 121.3 38.2 -67.8 -37.3 65.2 3.8 85.8 75 74 A Q H <5S- 0 0 135 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.496 109.5-116.3 -96.4 -6.3 65.8 3.2 89.6 76 75 A G T <5S+ 0 0 64 -4,-1.1 -3,-0.2 -3,-0.3 -4,-0.1 0.827 76.4 121.2 76.4 34.8 66.4 6.8 90.7 77 76 A T < + 0 0 44 -5,-2.2 -4,-0.2 -6,-0.2 -5,-0.1 0.376 30.3 127.3-114.4 10.1 70.0 6.5 91.8 78 77 A Q S S- 0 0 24 -6,-0.9 -24,-0.2 1,-0.1 5,-0.1 -0.258 73.4 -85.9 -61.4 153.1 71.8 9.1 89.7 79 78 A S >> - 0 0 30 -26,-2.1 4,-2.0 1,-0.1 3,-0.6 -0.101 38.6-115.8 -58.7 147.9 73.9 11.6 91.4 80 79 A A H 3> S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.802 111.7 59.2 -62.7 -32.3 72.1 14.6 92.7 81 80 A D H 3> S+ 0 0 55 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.902 108.8 47.5 -59.3 -43.8 73.8 17.2 90.4 82 81 A I H <> S+ 0 0 3 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.919 110.4 51.1 -63.0 -47.7 72.6 15.2 87.4 83 82 A V H X S+ 0 0 46 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.944 107.2 53.6 -59.6 -43.6 69.1 15.0 88.7 84 83 A A H X S+ 0 0 41 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.896 110.5 46.5 -62.5 -38.2 68.9 18.7 89.3 85 84 A E H X S+ 0 0 4 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.908 109.8 52.4 -68.3 -37.9 69.9 19.5 85.7 86 85 A Q H X S+ 0 0 11 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.927 108.3 53.2 -62.6 -39.8 67.5 17.0 84.3 87 86 A E H X S+ 0 0 125 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.907 107.2 51.5 -60.6 -38.9 64.8 18.8 86.4 88 87 A K H X S+ 0 0 27 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.873 108.6 51.2 -62.6 -42.2 65.8 22.1 84.8 89 88 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.918 109.9 47.7 -62.5 -43.9 65.5 20.7 81.4 90 89 A L H < S+ 0 0 92 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.868 112.7 51.8 -67.0 -38.8 62.1 19.4 82.0 91 90 A W H < S+ 0 0 57 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.865 97.8 83.6 -58.3 -38.5 61.1 22.8 83.5 92 91 A A < - 0 0 0 -4,-2.0 -88,-0.2 1,-0.1 3,-0.1 -0.327 50.6-169.9 -79.0 148.5 62.3 24.8 80.5 93 92 A D S S+ 0 0 44 -90,-2.5 54,-2.1 1,-0.3 2,-0.4 0.612 86.9 30.2 -91.7 -31.6 60.6 25.7 77.3 94 93 A T E -bc 4 147A 1 -91,-1.7 -89,-2.7 52,-0.2 2,-0.5 -1.000 68.7-164.2-135.0 133.2 63.7 27.1 75.8 95 94 A V E -bc 5 148A 0 52,-2.6 54,-2.1 -2,-0.4 2,-0.4 -0.988 4.9-167.2-123.7 127.7 67.3 26.0 76.5 96 95 A I E -bc 6 149A 2 -91,-2.9 -89,-3.3 -2,-0.5 2,-0.6 -0.932 6.5-157.4-115.7 130.8 70.3 28.2 75.4 97 96 A F E -bc 7 150A 0 52,-2.5 54,-2.8 -2,-0.4 2,-0.5 -0.961 13.5-171.4-110.9 116.4 73.9 26.9 75.5 98 97 A Q E +bc 8 151A 0 -91,-2.9 -89,-2.2 -2,-0.6 54,-0.2 -0.947 21.2 131.4-117.1 123.7 76.4 29.7 75.7 99 98 A F E - c 0 152A 0 52,-2.4 54,-1.3 -2,-0.5 2,-0.3 -0.983 53.9-102.4-162.9 151.1 80.2 29.2 75.3 100 99 A P E - c 0 153A 9 0, 0.0 2,-0.6 0, 0.0 54,-0.2 -0.636 48.2-108.0 -70.7 144.0 83.4 30.3 73.6 101 100 A L - 0 0 21 52,-3.2 2,-0.5 -2,-0.3 54,-0.3 -0.636 42.2-177.1 -74.8 118.3 84.4 28.0 70.8 102 101 A W B > -F 105 0B 35 3,-2.2 3,-0.8 -2,-0.6 275,-0.1 -0.962 69.1 -15.6-122.7 116.0 87.4 26.1 72.0 103 102 A W T 3 S- 0 0 31 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.941 124.3 -59.8 53.6 45.9 89.1 23.7 69.6 104 103 A F T 3 S+ 0 0 17 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.648 125.1 61.9 59.7 32.9 86.1 23.9 67.3 105 104 A S B < S-F 102 0B 23 -3,-0.8 -3,-2.2 -5,-0.1 -1,-0.2 -0.803 95.3 -57.1-165.1 179.4 83.8 22.5 69.9 106 105 A X - 0 0 6 -2,-0.2 -5,-0.1 -5,-0.2 5,-0.1 -0.556 63.2 -94.1 -71.3 152.6 82.3 23.1 73.4 107 106 A P >> - 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-1.2 -0.285 42.6-108.3 -52.5 147.9 84.6 23.7 76.4 108 107 A A H 3> S+ 0 0 0 1,-0.3 4,-2.1 201,-0.2 5,-0.2 0.830 117.6 60.5 -54.9 -37.5 85.2 20.3 78.2 109 108 A I H 3> S+ 0 0 7 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.863 108.8 44.0 -61.9 -37.4 83.1 21.3 81.1 110 109 A X H <> S+ 0 0 0 -3,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.899 109.5 54.5 -72.3 -39.4 80.0 21.8 78.8 111 110 A K H X S+ 0 0 5 -4,-2.0 4,-2.9 1,-0.2 259,-0.2 0.886 107.5 53.9 -59.7 -35.1 80.7 18.6 77.0 112 111 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.868 102.7 54.5 -73.7 -28.1 80.7 17.0 80.5 113 112 A W H X S+ 0 0 0 -4,-1.2 4,-2.7 2,-0.2 5,-0.4 0.946 112.1 45.6 -61.0 -47.5 77.3 18.4 81.2 114 113 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.971 113.7 48.2 -61.1 -51.7 76.1 16.7 78.0 115 114 A D H < S+ 0 0 10 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.883 121.5 34.8 -60.7 -38.4 77.9 13.4 78.8 116 115 A R H < S+ 0 0 5 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.813 120.9 43.6 -92.8 -30.2 76.5 13.2 82.4 117 116 A V H < S+ 0 0 0 -4,-2.7 2,-2.4 -5,-0.3 -3,-0.2 0.849 95.0 77.9 -81.1 -37.1 73.0 14.8 82.0 118 117 A Y S < S+ 0 0 2 -4,-2.1 -1,-0.2 -5,-0.4 3,-0.1 -0.365 75.5 180.0 -76.6 73.8 72.0 13.0 78.8 119 118 A A >>> - 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0 0 217 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.944 37.5-154.8 52.3 49.5 92.2 12.1 87.7 307 44 B W < - 0 0 17 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.2 -0.317 11.6-121.5 -59.6 132.1 92.9 14.5 84.9 308 45 B K - 0 0 68 1,-0.1 70,-0.1 -3,-0.1 -1,-0.1 -0.625 28.8-174.0 -76.3 119.2 91.5 18.0 85.4 309 46 B A + 0 0 12 -2,-0.5 2,-0.8 1,-0.1 -201,-0.2 0.788 55.8 78.3 -88.1 -29.0 89.1 18.8 82.6 310 47 B G S S- 0 0 14 -202,-0.1 2,-0.2 -265,-0.1 -1,-0.1 -0.745 72.0-140.4 -92.0 105.5 88.0 22.4 83.0 311 48 B Y + 0 0 20 -2,-0.8 2,-0.3 2,-0.1 -202,-0.1 -0.439 42.2 146.3 -62.1 132.4 90.6 25.0 81.9 312 49 B D > - 0 0 30 -2,-0.2 3,-2.2 -302,-0.1 4,-0.2 -0.887 62.5 -73.7-159.8-178.2 90.7 27.9 84.4 313 50 B A G > S+ 0 0 43 1,-0.3 3,-1.3 -2,-0.3 5,-0.4 0.740 117.1 69.9 -65.4 -17.0 92.8 30.5 86.2 314 51 B D G 3 S+ 0 0 124 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.635 91.3 63.0 -73.7 -14.7 94.4 27.9 88.5 315 52 B D G < S+ 0 0 6 -3,-2.2 26,-2.0 1,-0.2 -1,-0.3 0.583 90.4 64.8 -82.0 -11.0 96.3 26.5 85.4 316 53 B S S < S- 0 0 4 -3,-1.3 -1,-0.2 24,-0.2 23,-0.2 0.565 87.3-143.6 -95.1 -12.8 98.3 29.7 84.6 317 54 B G S S+ 0 0 54 -4,-0.3 -3,-0.1 -3,-0.3 23,-0.1 0.683 71.2 66.4 66.9 18.3 100.4 29.7 87.8 318 55 B A S S- 0 0 36 -5,-0.4 -2,-0.2 0, 0.0 3,-0.1 -0.987 91.7 -84.5-162.8 157.2 100.4 33.6 88.0 319 56 B P S S- 0 0 104 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.279 70.6 -68.8 -63.6 165.1 98.0 36.4 88.6 320 57 B P - 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