==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-AUG-12 4B4W . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN FOLD; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII ATCC 19606; . AUTHOR T.C.EADSFORTH,F.V.MALUF,W.N.HUNTER . 566 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.4 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 . 55 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 0 2 2 2 0 2 0 3 1 0 0 2 0 0 0 0 2 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 6 2 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 0 0 1 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 0 195 0, 0.0 248,-0.2 0, 0.0 247,-0.1 0.000 360.0 360.0 360.0 148.7 -9.7 6.9 13.1 2 2 A A - 0 0 13 246,-1.3 2,-0.4 1,-0.1 251,-0.3 -0.245 360.0-112.9 -64.3 142.2 -7.2 6.5 15.9 3 3 A L E -a 253 0A 83 249,-2.6 251,-2.4 1,-0.1 2,-0.6 -0.633 30.0-128.0 -70.3 126.1 -4.0 8.6 16.0 4 4 A V E -a 254 0A 62 -2,-0.4 2,-1.3 249,-0.2 251,-0.2 -0.692 12.1-141.3 -76.5 117.2 -1.0 6.4 15.4 5 5 A L - 0 0 0 249,-3.3 2,-1.3 -2,-0.6 3,-0.1 -0.706 21.8-152.7 -79.1 95.2 1.5 7.1 18.3 6 6 A D > + 0 0 73 -2,-1.3 4,-1.8 1,-0.2 254,-0.2 -0.587 27.3 169.5 -83.6 91.8 4.6 6.9 16.0 7 7 A G H > S+ 0 0 0 -2,-1.3 4,-2.6 252,-0.9 253,-0.2 0.815 77.2 58.6 -67.9 -31.9 7.5 5.8 18.2 8 8 A R H > S+ 0 0 136 251,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.932 109.4 42.4 -63.9 -46.8 9.7 5.3 15.2 9 9 A A H > S+ 0 0 47 250,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.876 115.1 50.5 -68.2 -38.2 9.4 8.9 14.1 10 10 A L H X S+ 0 0 12 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.917 108.8 51.4 -66.5 -43.8 9.7 10.2 17.7 11 11 A A H X S+ 0 0 6 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.912 110.8 49.1 -57.3 -44.3 12.9 8.1 18.3 12 12 A K H X S+ 0 0 154 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.935 112.2 47.9 -61.0 -48.0 14.4 9.6 15.1 13 13 A Q H >X S+ 0 0 105 -4,-2.3 4,-0.7 1,-0.2 3,-0.7 0.920 112.2 48.7 -59.0 -48.0 13.5 13.2 16.1 14 14 A I H 3X S+ 0 0 31 -4,-2.8 4,-1.6 1,-0.2 3,-0.5 0.893 104.5 59.3 -63.0 -40.6 14.9 12.7 19.6 15 15 A E H 3X S+ 0 0 28 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.771 92.1 71.8 -60.1 -27.3 18.2 11.2 18.3 16 16 A E H - 0 0 71 -3,-0.3 4,-2.3 1,-0.2 5,-0.1 -0.481 38.8-155.6 -63.0 115.5 18.6 -15.8 24.3 44 44 A G H > S+ 0 0 48 -2,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.891 91.8 50.6 -60.9 -44.8 18.3 -14.8 20.6 45 45 A A H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.911 110.0 50.9 -59.3 -45.1 15.9 -11.9 21.3 46 46 A S H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.927 110.2 50.0 -58.0 -47.5 18.2 -10.6 24.0 47 47 A A H X S+ 0 0 41 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.941 112.0 48.2 -53.2 -50.5 21.1 -10.7 21.6 48 48 A T H X S+ 0 0 80 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.913 113.1 46.3 -59.5 -46.2 19.1 -8.8 18.9 49 49 A Y H X S+ 0 0 37 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.875 110.1 53.3 -69.5 -37.5 17.9 -6.1 21.4 50 50 A V H X S+ 0 0 10 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.921 110.0 48.6 -60.9 -43.6 21.4 -5.6 22.8 51 51 A R H X S+ 0 0 135 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.907 109.8 52.2 -61.8 -42.0 22.8 -5.1 19.2 52 52 A M H X S+ 0 0 59 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.893 110.2 48.5 -61.2 -40.6 20.0 -2.6 18.5 53 53 A K H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.907 110.8 50.6 -67.8 -41.0 20.9 -0.7 21.6 54 54 A G H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.922 110.3 49.7 -59.3 -46.1 24.6 -0.7 20.6 55 55 A N H X S+ 0 0 61 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.920 108.9 52.6 -58.1 -45.1 23.7 0.6 17.1 56 56 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.884 106.7 53.4 -59.2 -42.3 21.5 3.3 18.7 57 57 A C H ><>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 3,-0.9 0.941 110.7 46.1 -53.8 -51.9 24.5 4.4 20.9 58 58 A R H ><5S+ 0 0 85 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.814 103.1 64.2 -66.8 -30.2 26.7 4.7 17.8 59 59 A R H 3<5S+ 0 0 129 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.783 107.5 42.9 -61.6 -29.6 24.0 6.6 15.9 60 60 A V T <<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.9 -38,-0.2 0.141 127.5 -94.8-105.8 20.0 24.3 9.5 18.4 61 61 A G T < 5S+ 0 0 13 -3,-1.4 -3,-0.2 1,-0.3 2,-0.1 0.506 91.4 108.5 87.2 5.3 28.1 9.5 18.6 62 62 A M < - 0 0 5 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.3 -0.365 53.3-144.8 -96.2-177.9 28.6 7.2 21.6 63 63 A D E -l 34 0B 69 -30,-2.0 -28,-2.1 -2,-0.1 2,-0.3 -0.911 8.1-123.9-140.0 173.1 29.9 3.7 21.7 64 64 A S E -l 35 0B 25 -2,-0.3 2,-0.7 -30,-0.2 -28,-0.2 -0.886 7.1-139.9-117.2 149.0 29.2 0.5 23.7 65 65 A L E -l 36 0B 65 -30,-2.1 -28,-2.2 -2,-0.3 2,-0.8 -0.953 30.3-143.6-101.3 108.3 31.4 -1.8 25.7 66 66 A K E -l 37 0B 117 -2,-0.7 2,-0.6 -30,-0.2 -28,-0.2 -0.654 19.6-176.0 -83.0 109.5 30.1 -5.2 24.8 67 67 A I E -l 38 0B 24 -30,-3.0 -28,-2.8 -2,-0.8 2,-0.5 -0.927 3.7-179.4-105.6 117.7 30.1 -7.7 27.7 68 68 A E E -l 39 0B 118 -2,-0.6 -28,-0.2 -30,-0.2 -30,-0.1 -0.976 1.9-176.5-122.5 120.8 29.1 -11.2 26.7 69 69 A L E -l 40 0B 33 -30,-2.7 -28,-3.0 -2,-0.5 -2,-0.0 -0.853 28.8 -99.9-118.3 150.8 28.9 -14.0 29.4 70 70 A P > - 0 0 71 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.176 32.6-107.0 -70.3 161.8 28.1 -17.7 29.0 71 71 A Q T 3 S+ 0 0 69 1,-0.3 -31,-0.0 -31,-0.1 -2,-0.0 0.817 117.2 55.3 -50.8 -37.4 24.8 -19.3 29.7 72 72 A E T 3 S+ 0 0 141 31,-0.0 -1,-0.3 -31,-0.0 -32,-0.0 0.297 74.8 139.0 -90.6 9.3 26.1 -21.0 32.9 73 73 A T < - 0 0 3 -3,-1.8 2,-0.2 1,-0.1 30,-0.1 -0.249 46.2-135.6 -50.7 136.7 27.3 -17.7 34.5 74 74 A T > - 0 0 58 1,-0.1 4,-2.2 30,-0.1 5,-0.2 -0.498 20.1-108.3 -93.7 166.9 26.6 -17.6 38.3 75 75 A T H > S+ 0 0 37 28,-0.3 4,-2.6 1,-0.2 5,-0.2 0.925 120.2 52.5 -57.7 -44.1 25.1 -14.8 40.3 76 76 A E H > S+ 0 0 158 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 108.8 49.0 -62.9 -42.0 28.5 -14.2 42.0 77 77 A Q H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 112.3 47.5 -64.7 -44.9 30.3 -14.0 38.6 78 78 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.901 110.8 52.2 -64.5 -42.3 27.8 -11.5 37.2 79 79 A L H X S+ 0 0 57 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.935 109.4 49.2 -56.8 -49.3 28.0 -9.4 40.4 80 80 A A H X S+ 0 0 50 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.906 110.8 51.3 -56.5 -42.5 31.8 -9.2 40.1 81 81 A E H X S+ 0 0 40 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.872 110.2 48.1 -64.1 -39.8 31.5 -8.2 36.5 82 82 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.883 108.4 54.7 -69.1 -38.4 29.0 -5.4 37.4 83 83 A E H X S+ 0 0 106 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.838 105.0 54.4 -66.0 -32.2 31.4 -4.2 40.2 84 84 A K H < S+ 0 0 133 -4,-1.8 3,-0.2 -5,-0.2 -1,-0.2 0.948 111.2 44.8 -60.4 -48.4 34.2 -4.0 37.6 85 85 A L H >< S+ 0 0 6 -4,-1.6 3,-1.2 1,-0.2 6,-0.2 0.849 107.4 58.2 -66.5 -37.3 32.0 -1.7 35.4 86 86 A N H 3< S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.1 41.5 -56.5 -39.8 30.8 0.4 38.4 87 87 A A T 3< S+ 0 0 84 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.252 90.5 103.3 -95.0 10.1 34.5 1.3 39.1 88 88 A N X - 0 0 48 -3,-1.2 3,-2.0 1,-0.1 -4,-0.0 -0.837 54.8-164.7 -95.0 105.4 35.4 1.8 35.4 89 89 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.655 86.8 63.4 -67.8 -13.0 35.5 5.5 34.9 90 90 A D T 3 S+ 0 0 102 -57,-0.1 2,-0.5 -3,-0.0 -56,-0.1 0.536 91.7 76.1 -83.7 -7.4 35.4 5.0 31.1 91 91 A V < + 0 0 3 -3,-2.0 -56,-0.1 -6,-0.2 -3,-0.1 -0.928 52.1 174.7-109.2 123.7 31.9 3.4 31.4 92 92 A H + 0 0 13 -58,-2.2 2,-0.3 -2,-0.5 -57,-0.2 0.707 66.3 25.3-104.1 -24.4 29.0 5.9 32.0 93 93 A G E -m 35 0B 0 -59,-1.5 -57,-2.9 25,-0.1 2,-0.4 -0.979 63.4-149.9-138.3 153.6 26.0 3.6 31.9 94 94 A I E -m 36 0B 0 23,-2.8 26,-0.6 -2,-0.3 2,-0.5 -0.987 8.8-171.3-127.4 124.0 25.3 -0.1 32.5 95 95 A L E -m 37 0B 0 -59,-2.9 -57,-2.4 -2,-0.4 2,-0.6 -0.961 5.5-170.6-109.8 127.0 22.7 -2.3 30.9 96 96 A L E -m 38 0B 2 -2,-0.5 2,-0.4 -59,-0.2 -57,-0.1 -0.971 26.2-135.9-111.1 110.4 21.9 -5.8 32.0 97 97 A Q - 0 0 11 -59,-2.1 -57,-0.4 -2,-0.6 -51,-0.1 -0.541 31.6-104.5 -72.7 122.2 19.6 -7.3 29.4 98 98 A H S S+ 0 0 85 -2,-0.4 -1,-0.0 1,-0.2 -59,-0.0 -0.649 91.6 45.3 -86.0 145.8 16.7 -9.2 30.9 99 99 A P - 0 0 61 0, 0.0 -1,-0.2 0, 0.0 -56,-0.2 0.388 68.7-172.2 -96.8 129.6 16.0 -12.1 31.2 100 100 A V - 0 0 13 1,-0.2 6,-0.1 -4,-0.1 -59,-0.1 -0.310 49.3 -65.5 -69.8 160.2 19.3 -13.5 32.5 101 101 A P > - 0 0 8 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 -0.174 53.2-112.5 -49.4 143.6 19.7 -17.3 32.8 102 102 A A T 3 S+ 0 0 105 1,-0.3 4,-0.1 -3,-0.1 -2,-0.1 0.712 112.2 63.8 -59.2 -27.8 17.3 -18.7 35.5 103 103 A Q T 3 S+ 0 0 101 -30,-0.1 2,-0.3 2,-0.1 -28,-0.3 0.683 89.3 88.0 -68.6 -17.6 20.1 -19.8 37.9 104 104 A I S < S- 0 0 11 -3,-2.3 2,-1.4 -30,-0.1 3,-0.1 -0.655 82.3-127.9 -87.8 135.4 21.1 -16.1 38.3 105 105 A D > - 0 0 76 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.690 29.9-176.0 -77.3 93.5 19.5 -13.8 40.9 106 106 A E H > S+ 0 0 35 -2,-1.4 4,-3.2 1,-0.2 5,-0.2 0.888 78.1 53.8 -64.6 -43.0 18.6 -11.1 38.4 107 107 A R H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 108.3 50.4 -56.6 -46.8 17.2 -8.7 41.1 108 108 A A H > S+ 0 0 29 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.903 113.8 45.7 -58.4 -40.4 20.5 -8.9 43.1 109 109 A C H >X S+ 0 0 0 -4,-1.8 4,-0.7 2,-0.2 3,-0.6 0.907 110.0 52.4 -74.5 -41.8 22.4 -8.1 39.9 110 110 A F H >< S+ 0 0 3 -4,-3.2 3,-1.4 1,-0.2 -2,-0.2 0.950 110.2 50.2 -51.0 -51.0 20.2 -5.2 38.9 111 111 A D H 3< S+ 0 0 45 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.654 98.2 67.0 -69.7 -15.9 20.7 -3.7 42.3 112 112 A A H << S+ 0 0 17 -4,-0.8 -1,-0.3 -3,-0.6 2,-0.2 0.716 78.4 99.5 -73.4 -23.2 24.5 -4.1 42.1 113 113 A I S << S- 0 0 4 -3,-1.4 5,-0.1 -4,-0.7 -30,-0.1 -0.485 86.4-111.3 -65.4 130.0 24.5 -1.4 39.3 114 114 A S >> - 0 0 36 -2,-0.2 3,-1.0 -32,-0.2 4,-0.6 -0.330 19.4-123.6 -62.6 144.4 25.5 2.0 40.7 115 115 A L G >4 S+ 0 0 64 1,-0.3 3,-1.4 2,-0.2 22,-0.2 0.912 111.7 57.9 -56.9 -43.3 22.6 4.5 40.7 116 116 A A G 34 S+ 0 0 73 1,-0.3 -1,-0.3 2,-0.1 164,-0.1 0.789 114.6 37.3 -56.0 -31.2 24.7 6.9 38.7 117 117 A K G <4 S+ 0 0 23 -3,-1.0 -23,-2.8 1,-0.1 2,-2.2 0.324 82.6 110.4-105.8 6.1 25.1 4.3 35.9 118 118 A D X< + 0 0 1 -3,-1.4 3,-1.6 -4,-0.6 5,-0.1 -0.302 33.1 150.0 -79.8 58.4 21.6 2.8 36.2 119 119 A V T 3 + 0 0 0 -2,-2.2 153,-0.2 1,-0.3 -1,-0.2 0.603 68.6 53.4 -73.3 -13.3 20.6 4.3 32.8 120 120 A D T 3 S- 0 0 13 -26,-0.6 20,-1.5 -3,-0.2 -1,-0.3 0.446 108.9-126.6 -93.9 -5.0 18.1 1.5 32.1 121 121 A G < + 0 0 10 -3,-1.6 18,-0.3 18,-0.2 -2,-0.1 0.885 63.3 135.3 65.4 48.1 16.4 2.2 35.4 122 122 A V + 0 0 6 -12,-0.1 -11,-0.1 16,-0.1 -12,-0.1 0.575 33.6 103.7-102.8 -11.8 16.4 -1.3 36.9 123 123 A T S > S- 0 0 5 -13,-0.2 4,-2.1 -5,-0.1 5,-0.1 -0.406 71.0-130.7 -76.4 149.9 17.6 -0.8 40.5 124 124 A C H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.885 112.1 53.6 -59.0 -40.3 15.1 -0.9 43.5 125 125 A L H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.929 107.7 48.9 -61.5 -48.1 16.6 2.5 44.6 126 126 A G H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 113.1 48.8 -56.5 -42.3 16.0 4.0 41.2 127 127 A F H X S+ 0 0 11 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.922 112.1 46.8 -64.9 -48.5 12.4 2.7 41.3 128 128 A G H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 6,-0.2 0.910 112.5 49.9 -61.2 -44.7 11.7 4.0 44.8 129 129 A R H <>S+ 0 0 53 -4,-2.7 5,-2.9 2,-0.2 4,-0.2 0.940 113.1 46.8 -59.8 -47.5 13.1 7.4 44.0 130 130 A M H ><5S+ 0 0 25 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.930 111.3 52.1 -56.5 -47.9 11.0 7.6 40.8 131 131 A A H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.814 111.9 46.5 -60.5 -32.8 7.9 6.5 42.8 132 132 A M T 3<5S- 0 0 25 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.282 121.4-104.2 -96.5 9.7 8.5 9.2 45.4 133 133 A G T < 5S+ 0 0 46 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.556 74.8 137.2 83.5 10.1 9.1 12.0 42.9 134 134 A E < - 0 0 53 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.626 66.1 -87.4 -88.7 151.1 12.9 12.2 43.3 135 135 A A + 0 0 85 -2,-0.2 2,-0.3 -5,-0.0 -1,-0.1 -0.293 66.7 141.0 -60.2 130.6 15.2 12.5 40.2 136 136 A A - 0 0 41 -7,-0.1 2,-0.4 -6,-0.1 -20,-0.1 -0.959 57.9 -97.4-166.1 150.7 16.1 9.1 38.8 137 137 A Y - 0 0 39 -2,-0.3 2,-0.2 -22,-0.2 -7,-0.1 -0.642 49.6-137.1 -70.8 128.6 16.7 7.3 35.5 138 138 A G - 0 0 7 -2,-0.4 -16,-0.1 -19,-0.1 134,-0.1 -0.557 29.3 -82.1 -91.1 155.2 13.4 5.5 34.8 139 139 A S > - 0 0 7 -18,-0.3 4,-2.6 -2,-0.2 5,-0.3 -0.381 50.2-122.6 -56.9 132.3 13.0 2.0 33.5 140 140 A A H > S+ 0 0 2 -20,-1.5 4,-2.2 1,-0.2 128,-0.1 0.825 100.3 45.1 -56.2 -49.7 13.5 2.4 29.7 141 141 A T H > S+ 0 0 21 28,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.956 117.7 41.2 -65.7 -51.6 10.2 1.0 28.3 142 142 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.894 115.6 50.8 -65.6 -36.4 7.8 2.7 30.7 143 143 A A H X S+ 0 0 12 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.876 109.2 52.9 -64.0 -37.3 9.7 6.0 30.6 144 144 A G H X S+ 0 0 1 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.872 106.8 52.5 -61.8 -38.1 9.6 5.7 26.8 145 145 A I H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.918 106.6 51.7 -65.3 -44.4 5.8 5.3 26.9 146 146 A M H X S+ 0 0 8 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.893 109.5 51.3 -59.3 -39.1 5.4 8.4 29.0 147 147 A T H X S+ 0 0 28 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.910 109.3 49.8 -64.3 -43.5 7.4 10.3 26.4 148 148 A I H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.950 113.2 46.4 -56.8 -51.1 5.2 9.0 23.6 149 149 A L H <>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.2 -2,-0.2 0.905 116.0 45.0 -61.3 -43.1 2.1 10.1 25.5 150 150 A K H ><5S+ 0 0 120 -4,-2.6 3,-1.6 3,-0.2 -2,-0.2 0.915 112.0 49.5 -69.8 -44.1 3.5 13.5 26.4 151 151 A E H 3<5S+ 0 0 107 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.802 112.1 50.5 -66.4 -27.7 4.8 14.3 22.9 152 152 A N T 3<5S- 0 0 42 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.153 114.7-118.3 -94.5 17.2 1.5 13.3 21.4 153 153 A N T < 5 + 0 0 151 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.807 49.7 172.8 53.3 37.1 -0.4 15.6 23.8 154 154 A I < - 0 0 27 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.651 33.7-123.3 -80.3 126.5 -2.3 12.6 25.4 155 155 A E + 0 0 128 -2,-0.4 -1,-0.1 1,-0.2 -5,-0.0 -0.551 42.6 158.9 -72.3 124.9 -4.3 13.7 28.5 156 156 A I > + 0 0 13 -2,-0.3 3,-2.3 25,-0.1 28,-0.2 0.737 39.4 97.4-114.1 -44.7 -3.2 11.6 31.5 157 157 A A T 3 S+ 0 0 27 1,-0.3 26,-0.3 26,-0.1 25,-0.2 -0.265 101.3 5.7 -53.7 124.2 -4.3 13.6 34.6 158 158 A G T 3 S+ 0 0 4 24,-3.1 318,-0.5 1,-0.3 -1,-0.3 0.337 101.4 124.8 83.3 -6.4 -7.7 12.4 35.9 159 159 A K < - 0 0 56 -3,-2.3 25,-3.1 316,-0.1 2,-0.8 -0.526 66.6-116.5 -83.7 153.3 -7.8 9.5 33.5 160 160 A H E -b 184 0A 15 23,-0.2 43,-2.5 41,-0.2 44,-1.8 -0.824 33.3-167.5 -90.1 108.0 -8.2 5.8 34.6 161 161 A A E -bc 185 204A 0 23,-3.5 25,-2.9 -2,-0.8 2,-0.5 -0.843 5.8-163.9 -96.3 131.9 -5.1 3.9 33.5 162 162 A V E -bc 186 205A 0 42,-2.7 44,-2.5 -2,-0.5 2,-0.6 -0.976 1.6-165.0-115.0 119.0 -5.1 0.2 33.6 163 163 A V E -bc 187 206A 0 23,-2.9 25,-3.1 -2,-0.5 2,-0.8 -0.924 6.0-157.1-102.7 117.2 -1.7 -1.5 33.5 164 164 A V E +bc 188 207A 2 42,-2.8 44,-2.4 -2,-0.6 25,-0.2 -0.866 67.9 34.1 -98.6 108.0 -2.0 -5.2 32.7 165 165 A G - 0 0 9 23,-2.6 23,-0.2 -2,-0.8 44,-0.1 -0.195 59.7-150.1 117.5 144.9 1.2 -6.8 34.1 166 166 A R + 0 0 57 5,-0.2 -1,-0.1 -2,-0.1 43,-0.1 -0.110 34.6 155.1-140.0 35.0 3.3 -5.9 37.1 167 167 A S > - 0 0 54 41,-0.3 5,-2.3 1,-0.1 3,-0.4 -0.268 53.8-113.0 -67.9 157.1 6.9 -6.9 36.2 168 168 A A T 5S+ 0 0 35 1,-0.2 -1,-0.1 3,-0.1 246,-0.0 0.846 114.1 32.6 -58.5 -39.1 9.8 -5.2 37.9 169 169 A I T 5S+ 0 0 37 3,-0.1 -28,-0.3 4,-0.1 -1,-0.2 0.506 134.4 16.8-102.0 -4.6 11.0 -3.4 34.8 170 170 A L T >5S+ 0 0 27 -3,-0.4 4,-2.6 -29,-0.1 5,-0.2 0.563 121.9 34.8-126.9 -76.8 7.7 -2.8 33.0 171 171 A G H >5S+ 0 0 0 37,-0.3 4,-2.4 1,-0.2 -5,-0.2 0.878 118.5 45.8 -58.0 -48.6 4.3 -3.0 34.8 172 172 A K H > S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.905 113.5 55.3 -61.8 -37.6 7.3 1.3 37.0 174 174 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.927 108.4 48.5 -56.9 -47.4 4.7 2.0 34.4 175 175 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.920 113.3 46.1 -59.0 -48.0 2.0 2.1 37.1 176 176 A M H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.858 111.9 51.4 -66.8 -36.4 4.1 4.5 39.3 177 177 A M H X S+ 0 0 19 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.915 111.9 46.1 -66.9 -42.4 4.9 6.8 36.3 178 178 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 -2,-0.2 0.906 112.0 51.9 -65.0 -41.2 1.2 7.1 35.3 179 179 A L H ><5S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.2 -2,-0.2 0.933 106.7 53.4 -58.1 -47.5 0.3 7.7 39.0 180 180 A Q H 3<5S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.807 105.0 55.5 -56.4 -32.7 2.9 10.4 39.1 181 181 A A T 3<5S- 0 0 26 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.211 125.2-105.5 -86.9 13.9 1.2 12.0 36.0 182 182 A N T < 5S+ 0 0 46 -3,-2.2 -24,-3.1 1,-0.3 -3,-0.2 0.625 71.6 142.2 72.4 20.4 -2.1 12.0 38.0 183 183 A A < - 0 0 0 -5,-2.2 2,-0.5 -26,-0.3 -1,-0.3 -0.532 59.2-115.9 -73.6 152.2 -3.9 9.1 36.4 184 184 A T E -b 160 0A 2 -25,-3.1 -23,-3.5 -28,-0.2 2,-0.5 -0.843 43.2-148.5 -80.4 130.4 -6.0 6.9 38.6 185 185 A V E -bD 161 470A 0 285,-1.5 285,-3.0 -2,-0.5 2,-0.5 -0.925 23.6-173.9-120.5 126.4 -4.1 3.6 38.2 186 186 A T E -bD 162 469A 0 -25,-2.9 -23,-2.9 -2,-0.5 2,-0.6 -0.971 13.5-156.0-111.3 127.3 -5.3 0.0 38.3 187 187 A I E -bD 163 468A 0 281,-3.0 281,-1.5 -2,-0.5 2,-0.2 -0.921 14.1-174.8-108.3 119.6 -2.7 -2.7 38.3 188 188 A C E +b 164 0A 0 -25,-3.1 -23,-2.6 -2,-0.6 2,-0.2 -0.698 8.7 160.4-110.3 164.8 -3.7 -6.1 37.0 189 189 A H > - 0 0 14 -2,-0.2 3,-2.2 -25,-0.2 6,-0.1 -0.880 58.3 -58.6-165.7-172.1 -1.9 -9.5 36.8 190 190 A S T 3 S+ 0 0 112 1,-0.3 -2,-0.0 -2,-0.2 -26,-0.0 0.660 129.5 52.2 -64.1 -17.0 -2.4 -13.2 36.4 191 191 A R T 3 S+ 0 0 138 275,-0.1 2,-0.3 251,-0.0 -1,-0.3 0.362 76.6 119.7-100.9 5.7 -4.5 -13.3 39.6 192 192 A T < - 0 0 18 -3,-2.2 3,-0.4 1,-0.1 250,-0.1 -0.565 50.0-159.9 -67.1 126.8 -6.9 -10.6 38.5 193 193 A Q S S+ 0 0 152 248,-0.5 -1,-0.1 -2,-0.3 249,-0.1 0.622 81.2 33.2 -91.0 -14.0 -10.4 -12.3 38.4 194 194 A N > + 0 0 48 1,-0.1 4,-1.8 2,-0.1 3,-0.4 -0.287 67.4 151.8-138.1 48.8 -12.3 -9.9 36.1 195 195 A L H > S+ 0 0 26 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.867 72.0 52.2 -55.9 -46.7 -9.7 -8.6 33.7 196 196 A P H > S+ 0 0 59 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.903 109.3 51.4 -57.4 -41.9 -12.1 -7.9 30.7 197 197 A E H > S+ 0 0 109 -3,-0.4 4,-0.5 2,-0.2 -2,-0.2 0.902 113.0 44.4 -59.3 -44.6 -14.3 -5.8 33.0 198 198 A L H >< S+ 0 0 1 -4,-1.8 3,-1.1 1,-0.2 4,-0.5 0.909 110.5 53.1 -71.1 -42.2 -11.4 -3.7 34.2 199 199 A V H >< S+ 0 0 1 -4,-2.7 3,-1.5 1,-0.3 22,-0.5 0.882 102.6 59.8 -59.1 -39.1 -9.9 -3.2 30.8 200 200 A K H 3< S+ 0 0 91 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.702 103.7 52.0 -64.9 -19.5 -13.2 -1.9 29.5 201 201 A Q T << S+ 0 0 83 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.3 0.561 86.1 115.6 -86.8 -10.8 -13.1 0.9 32.1 202 202 A A < - 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0 0 56 -4,-0.9 3,-1.9 -3,-0.5 -1,-0.0 -0.708 59.7-161.4 -83.9 107.8 25.9 5.4 66.8 372 89 B P T 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.700 87.7 63.0 -65.5 -16.8 26.1 1.6 67.2 373 90 B D T 3 S+ 0 0 71 -57,-0.1 2,-0.6 -3,-0.0 -56,-0.2 0.597 88.7 79.7 -81.3 -13.2 23.8 1.9 70.3 374 91 B V < + 0 0 3 -3,-1.9 -56,-0.1 -6,-0.3 3,-0.1 -0.877 53.7 175.6 -96.1 121.4 20.9 3.2 68.2 375 92 B H + 0 0 13 -58,-2.2 2,-0.3 -2,-0.6 -57,-0.2 0.746 64.4 23.1 -99.0 -27.3 19.1 0.4 66.3 376 93 B G E -q 318 0E 0 -59,-1.5 -57,-3.1 25,-0.1 2,-0.4 -0.978 61.7-151.4-140.6 152.4 16.3 2.2 64.7 377 94 B I E -q 319 0E 0 23,-2.6 26,-0.5 -2,-0.3 2,-0.5 -0.991 8.1-169.2-128.5 122.2 15.5 5.8 63.7 378 95 B L E -q 320 0E 0 -59,-3.3 -57,-2.7 -2,-0.4 2,-0.6 -0.954 4.8-169.4-107.0 125.3 12.1 7.4 63.5 379 96 B L E -q 321 0E 2 -2,-0.5 2,-0.3 -59,-0.2 -57,-0.1 -0.956 25.5-136.6-107.9 108.9 11.5 10.8 61.9 380 97 B Q - 0 0 14 -59,-2.3 -57,-0.4 -2,-0.6 -51,-0.1 -0.505 31.8-104.6 -72.4 124.8 8.0 11.8 62.8 381 98 B H S S+ 0 0 82 -2,-0.3 -1,-0.0 1,-0.2 -59,-0.0 -0.700 91.5 44.3 -92.5 146.3 6.1 13.3 59.8 382 99 B P - 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0 0 48 -2,-0.2 3,-1.5 -32,-0.2 4,-0.6 -0.335 20.4-123.0 -60.2 141.4 20.4 3.9 57.0 398 115 B L G >4 S+ 0 0 57 1,-0.3 3,-1.3 2,-0.2 22,-0.3 0.888 112.5 57.9 -53.5 -40.7 18.4 1.0 55.6 399 116 B A G 34 S+ 0 0 70 1,-0.3 -1,-0.3 20,-0.1 164,-0.1 0.732 113.9 37.7 -62.7 -24.9 19.4 -1.1 58.6 400 117 B K G <4 S+ 0 0 24 -3,-1.5 -23,-2.6 1,-0.1 2,-2.3 0.307 82.8 109.8-108.5 6.6 17.8 1.5 60.9 401 118 B D X< + 0 0 2 -3,-1.3 3,-1.4 -4,-0.6 5,-0.1 -0.349 34.1 150.6 -80.4 59.6 14.8 2.3 58.7 402 119 B V T 3 + 0 0 0 -2,-2.3 153,-0.2 1,-0.3 -1,-0.2 0.628 68.4 52.7 -74.8 -14.6 12.5 0.6 61.1 403 120 B D T 3 S- 0 0 12 -26,-0.5 20,-1.5 -3,-0.2 -1,-0.3 0.455 109.0-125.8 -93.7 -5.9 9.6 2.9 60.2 404 121 B G < + 0 0 10 -3,-1.4 18,-0.3 18,-0.3 -2,-0.1 0.889 64.2 134.9 67.1 46.9 10.1 2.1 56.5 405 122 B V + 0 0 4 -12,-0.1 2,-0.1 16,-0.1 -11,-0.1 0.497 33.8 105.9-103.8 -7.1 10.4 5.6 55.1 406 123 B T > - 0 0 6 -5,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.435 69.6-133.0 -77.7 148.5 13.4 5.3 52.7 407 124 B C H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.913 111.4 53.6 -57.4 -43.6 13.0 5.2 48.9 408 125 B L H > S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 108.7 47.7 -58.1 -47.3 15.4 2.2 49.0 409 126 B G H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.871 112.8 48.7 -62.4 -39.9 13.2 0.4 51.5 410 127 B F H X S+ 0 0 10 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.937 112.6 48.2 -64.1 -48.0 10.0 1.1 49.5 411 128 B G H X S+ 0 0 0 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.908 112.2 48.4 -59.2 -45.4 11.7 -0.0 46.3 412 129 B R H <>S+ 0 0 56 -4,-2.6 5,-2.8 2,-0.2 4,-0.3 0.939 112.7 47.7 -63.6 -47.2 13.0 -3.2 47.8 413 130 B M H ><5S+ 0 0 26 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.920 110.1 53.2 -58.5 -44.6 9.6 -4.1 49.4 414 131 B A H 3<5S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.818 112.2 45.2 -61.5 -30.9 7.8 -3.3 46.1 415 132 B M T 3<5S- 0 0 23 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.322 121.8-104.2 -98.3 7.2 10.2 -5.8 44.3 416 133 B G T < 5S+ 0 0 47 -3,-1.4 -3,-0.2 -4,-0.3 2,-0.2 0.540 75.8 134.3 87.2 8.5 9.9 -8.5 46.9 417 134 B E < - 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