==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MOLYBDENUM COFACTOR BIOSYNTHESIS 26-FEB-03 1H4E . COMPND 2 MOLECULE: MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.GUSE,C.E.M.STEVENSON,J.KUPER,G.BUCHANAN,G.SCHWARZ, . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 8.0 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 . 2 1.1 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 . 15 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 3 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 PARALLEL BRIDGES PER LADDER . 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 4 A M 0 0 153 0, 0.0 2,-0.3 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 9.8 7.7 -6.9 52.3 2 5 A T - 0 0 69 1,-0.1 88,-0.3 44,-0.0 3,-0.1 -0.885 360.0-120.3-125.1 170.0 10.1 -4.0 52.8 3 6 A T S S+ 0 0 107 -2,-0.3 88,-0.6 1,-0.2 2,-0.4 0.880 89.8 26.0 -81.7 -41.5 9.0 -0.4 53.0 4 7 A I E -a 91 0A 15 86,-0.1 2,-0.5 85,-0.1 42,-0.4 -0.995 65.1-147.5-125.1 131.2 10.8 1.3 50.0 5 8 A T E -a 92 0A 8 86,-2.7 88,-2.7 -2,-0.4 2,-0.3 -0.827 21.3-137.1 -88.1 125.5 12.0 -0.4 46.7 6 9 A G E -ab 93 47A 0 40,-2.8 42,-2.5 -2,-0.5 2,-0.4 -0.659 21.3-166.7 -79.6 139.9 15.2 1.3 45.3 7 10 A V E -ab 94 48A 0 86,-3.0 88,-2.0 -2,-0.3 2,-0.5 -0.967 14.5-153.8-134.0 124.9 15.2 1.9 41.6 8 11 A V E -ab 95 49A 0 40,-2.4 42,-3.0 -2,-0.4 2,-0.9 -0.781 15.5-148.1 -94.4 124.5 18.1 2.8 39.4 9 12 A L E +ab 96 50A 14 86,-2.8 88,-2.0 -2,-0.5 89,-0.2 -0.813 20.8 175.5 -95.0 103.6 16.9 4.7 36.3 10 13 A A - 0 0 16 40,-2.6 13,-0.4 -2,-0.9 42,-0.2 0.279 50.9 -93.4 -97.5 10.2 19.2 3.7 33.5 11 14 A G - 0 0 38 39,-0.2 41,-0.4 40,-0.1 -1,-0.3 -0.017 32.3-119.8 113.4 162.2 17.3 5.6 30.8 12 15 A G + 0 0 34 39,-0.1 40,-0.3 -3,-0.1 3,-0.0 0.154 66.5 33.6-100.3-145.1 14.7 5.0 28.2 13 16 A K - 0 0 66 60,-0.3 4,-0.1 1,-0.1 55,-0.0 0.113 43.8-154.0 57.4-112.9 14.4 5.2 24.5 14 17 A A + 0 0 42 4,-0.2 3,-0.5 2,-0.1 -1,-0.1 0.848 29.0 174.6 72.0 57.6 17.4 4.5 22.2 15 18 A R S S+ 0 0 101 1,-0.3 2,-0.1 3,-0.2 -2,-0.1 0.351 77.6 28.0 -81.3 -0.9 15.6 6.8 19.8 16 19 A R S S- 0 0 221 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 -0.585 134.6 -73.5-156.3 91.4 18.6 6.5 17.5 17 20 A M S S- 0 0 100 -3,-0.5 2,-1.0 -2,-0.1 -2,-0.1 0.677 84.8 -85.3 5.3 58.0 20.1 3.1 18.2 18 21 A G - 0 0 27 2,-0.0 2,-0.3 3,-0.0 -3,-0.2 -0.557 42.5-148.1 74.5 -97.4 21.4 4.5 21.5 19 22 A G S S+ 0 0 53 -2,-1.0 2,-0.0 -5,-0.1 -3,-0.0 -0.833 72.8 2.7 104.1-160.5 24.7 6.3 21.5 20 23 A V - 0 0 83 -2,-0.3 2,-1.2 1,-0.1 3,-0.1 -0.318 69.0-135.4 -63.9 135.3 26.6 5.9 24.7 21 24 A D > - 0 0 23 1,-0.2 3,-1.4 2,-0.1 4,-0.5 -0.757 22.4-167.8 -89.5 95.5 25.0 3.7 27.3 22 25 A K G > S+ 0 0 68 -2,-1.2 3,-1.6 1,-0.3 10,-0.4 0.881 79.3 56.7 -57.0 -43.1 25.7 6.0 30.3 23 26 A G G 3 S+ 0 0 0 -13,-0.4 10,-2.3 1,-0.3 11,-0.4 0.746 105.8 52.5 -63.3 -18.8 24.8 3.5 33.0 24 27 A L G < S+ 0 0 36 -3,-1.4 -1,-0.3 7,-0.2 -2,-0.2 0.473 78.8 115.4-100.1 -1.2 27.4 1.1 31.7 25 28 A L < - 0 0 31 -3,-1.6 7,-2.6 -4,-0.5 2,-0.5 -0.458 69.2-122.6 -62.1 144.0 30.2 3.6 31.7 26 29 A E E -G 31 0B 112 5,-0.3 2,-0.6 -2,-0.1 3,-0.2 -0.785 23.0-168.3-103.8 122.1 32.8 2.4 34.2 27 30 A L E > S-G 30 0B 1 3,-2.9 3,-1.7 -2,-0.5 158,-0.0 -0.942 86.1 -18.6-104.4 117.3 33.9 4.6 37.1 28 31 A N T 3 S- 0 0 104 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.0 0.908 132.1 -48.4 46.8 49.2 36.9 3.0 38.6 29 32 A G T 3 S+ 0 0 59 -3,-0.2 -1,-0.2 1,-0.1 -3,-0.1 0.309 122.0 97.9 84.7 -11.9 36.1 -0.4 36.9 30 33 A K E < S-G 27 0B 76 -3,-1.7 -3,-2.9 2,-0.0 -1,-0.1 -0.943 80.4-108.8-118.8 129.2 32.4 -0.4 38.0 31 34 A P E >> -G 26 0B 32 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.229 27.7-122.8 -54.5 141.5 29.5 0.7 35.8 32 35 A L H 3> S+ 0 0 0 -7,-2.6 4,-1.9 -10,-0.4 5,-0.2 0.880 112.3 55.7 -51.6 -45.0 27.9 3.9 37.0 33 36 A W H 3> S+ 0 0 5 -10,-2.3 4,-2.7 1,-0.3 -1,-0.3 0.843 105.7 51.4 -65.9 -28.7 24.6 2.3 37.4 34 37 A Q H <> S+ 0 0 23 -3,-0.8 4,-3.0 -11,-0.4 -1,-0.3 0.857 103.9 57.5 -78.3 -28.6 26.1 -0.3 39.7 35 38 A H H X S+ 0 0 35 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.937 111.8 43.0 -56.9 -46.3 27.6 2.5 41.8 36 39 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 61,-0.3 -2,-0.2 0.931 113.8 50.1 -69.1 -44.8 24.1 3.8 42.3 37 40 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.912 110.8 50.3 -58.7 -41.0 22.6 0.3 42.9 38 41 A D H X S+ 0 0 49 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.910 110.3 49.5 -63.9 -41.2 25.3 -0.4 45.5 39 42 A A H X S+ 0 0 16 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.2 0.887 112.1 48.0 -65.9 -37.9 24.6 2.8 47.3 40 43 A L H >X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 3,-0.9 0.909 107.5 56.2 -67.2 -38.4 20.9 2.1 47.3 41 44 A M H 3< S+ 0 0 71 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.790 97.2 64.7 -67.1 -24.0 21.6 -1.5 48.6 42 45 A T H 3< S+ 0 0 107 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.877 119.0 23.9 -56.5 -38.7 23.4 0.1 51.5 43 46 A Q H << S+ 0 0 39 -3,-0.9 2,-0.3 -4,-0.8 -2,-0.2 0.528 125.6 44.5-107.4 -9.2 20.2 1.6 52.6 44 47 A L < - 0 0 18 -4,-1.8 -1,-0.2 1,-0.1 3,-0.1 -0.998 58.5-149.1-141.7 140.9 17.5 -0.7 51.1 45 48 A S S S+ 0 0 110 -2,-0.3 2,-0.6 -41,-0.2 -1,-0.1 0.837 87.6 53.8 -79.2 -31.0 17.1 -4.5 50.8 46 49 A H + 0 0 67 -42,-0.4 -40,-2.8 -6,-0.1 2,-0.4 -0.904 64.9 163.3-116.2 113.5 15.2 -4.5 47.5 47 50 A V E +b 6 0A 7 -2,-0.6 17,-0.5 -42,-0.2 2,-0.3 -0.977 6.6 175.2-132.0 134.9 16.7 -2.7 44.5 48 51 A V E -b 7 0A 0 -42,-2.5 -40,-2.4 -2,-0.4 2,-0.4 -0.840 20.8-130.7-130.1 171.0 15.9 -3.1 40.8 49 52 A V E -bc 8 65A 0 15,-2.5 17,-3.0 -2,-0.3 2,-0.7 -0.989 3.7-145.4-132.6 136.1 17.0 -1.3 37.7 50 53 A N E +bc 9 66A 3 -42,-3.0 -40,-2.6 -2,-0.4 2,-0.3 -0.897 36.5 158.5 -95.0 113.7 15.0 0.2 34.8 51 54 A A - 0 0 0 15,-1.6 -39,-0.1 -2,-0.7 -40,-0.1 -0.997 28.5-177.1-142.3 147.5 17.0 -0.3 31.6 52 55 A N S S+ 0 0 30 -41,-0.4 2,-0.3 -2,-0.3 -40,-0.1 0.144 71.1 47.6-131.8 8.3 15.9 -0.4 28.0 53 56 A R S S+ 0 0 48 -42,-0.1 5,-0.2 -43,-0.0 -1,-0.1 -0.970 111.6 12.8-144.0 154.3 19.2 -1.2 26.2 54 57 A H S >> S+ 0 0 85 -2,-0.3 4,-1.9 1,-0.1 3,-1.3 0.849 72.2 167.4 51.4 39.5 21.9 -3.9 26.7 55 58 A Q H 3> + 0 0 45 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.858 67.5 57.9 -62.7 -39.4 19.5 -5.6 29.1 56 59 A E H 3> S+ 0 0 69 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.828 106.6 49.9 -57.0 -31.9 21.5 -8.8 29.3 57 60 A I H X4 S+ 0 0 103 -3,-1.3 3,-1.3 1,-0.2 4,-0.4 0.947 110.6 48.3 -74.3 -47.1 24.5 -6.7 30.6 58 61 A Y H >< S+ 0 0 1 -4,-1.9 3,-0.7 1,-0.2 5,-0.4 0.844 108.2 57.8 -56.9 -33.2 22.3 -5.0 33.2 59 62 A Q H >< S+ 0 0 102 -4,-2.2 3,-2.1 -5,-0.2 -1,-0.2 0.705 85.1 82.8 -70.0 -20.5 21.1 -8.5 34.2 60 63 A A T << S+ 0 0 85 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.789 81.7 59.1 -67.0 -24.4 24.6 -9.8 34.9 61 64 A S T < S- 0 0 56 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.456 115.9-110.9 -85.9 6.9 24.8 -8.4 38.5 62 65 A G S < S+ 0 0 65 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.593 73.8 127.2 86.7 6.3 21.7 -10.4 39.5 63 66 A L - 0 0 34 -5,-0.4 2,-0.3 1,-0.1 -1,-0.3 -0.656 69.2 -93.9 -90.5 157.2 19.1 -7.6 40.0 64 67 A K - 0 0 99 -17,-0.5 -15,-2.5 -2,-0.2 2,-0.6 -0.534 37.0-149.4 -68.0 128.5 15.7 -7.5 38.3 65 68 A V E -c 49 0A 21 -2,-0.3 2,-0.5 -17,-0.2 -15,-0.2 -0.922 10.2-162.1-103.3 123.9 15.8 -5.5 35.1 66 69 A I E -c 50 0A 0 -17,-3.0 -15,-1.6 -2,-0.6 2,-0.3 -0.915 3.3-157.3-109.3 125.9 12.6 -3.7 34.3 67 70 A E - 0 0 88 -2,-0.5 -15,-0.1 -17,-0.2 -55,-0.1 -0.716 27.3 -95.9-102.2 152.9 11.9 -2.4 30.7 68 71 A D - 0 0 31 -2,-0.3 -1,-0.1 1,-0.1 11,-0.1 -0.257 44.2-100.0 -63.3 150.3 9.5 0.3 29.7 69 72 A S > - 0 0 38 9,-0.3 3,-1.7 1,-0.1 4,-0.2 -0.206 34.4-103.2 -63.5 163.9 6.0 -0.5 28.6 70 73 A L T 3 S+ 0 0 181 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.656 109.5 85.4 -62.4 -17.8 5.1 -0.5 24.9 71 74 A A T 3 S- 0 0 50 1,-0.1 -1,-0.3 7,-0.1 -2,-0.0 0.756 82.9-151.7 -57.2 -26.8 3.5 2.9 25.4 72 75 A D < - 0 0 118 -3,-1.7 -2,-0.1 1,-0.1 -1,-0.1 0.876 20.8-175.7 53.6 43.1 6.9 4.5 24.8 73 76 A Y - 0 0 49 -4,-0.2 -60,-0.3 1,-0.1 2,-0.2 -0.324 23.7-107.1 -63.3 152.6 6.2 7.5 26.9 74 77 A P + 0 0 58 0, 0.0 4,-0.4 0, 0.0 3,-0.3 -0.529 65.4 6.0 -85.7 149.4 8.9 10.2 27.0 75 78 A G S >> S- 0 0 44 -2,-0.2 3,-1.3 1,-0.2 4,-0.7 -0.009 100.5 -49.6 84.7 176.5 11.4 11.2 29.6 76 79 A P H >> S+ 0 0 62 0, 0.0 4,-1.6 0, 0.0 3,-0.5 0.776 124.9 68.4 -65.0 -24.3 12.3 9.9 33.0 77 80 A L H 3> S+ 0 0 0 75,-0.4 4,-2.6 -3,-0.3 5,-0.2 0.815 91.0 64.2 -64.2 -27.0 8.7 9.7 34.2 78 81 A A H <> S+ 0 0 2 -3,-1.3 4,-2.5 -4,-0.4 -9,-0.3 0.904 103.6 46.3 -65.1 -37.8 8.1 6.9 31.7 79 82 A G H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 3,-1.0 0.951 110.4 50.3 -66.3 -44.7 8.6 0.4 37.4 84 87 A M H 3< S+ 0 0 1 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.873 110.5 52.1 -61.8 -32.5 5.5 1.2 39.6 85 88 A Q H 3< S+ 0 0 82 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.714 116.9 38.4 -73.8 -20.7 3.4 -1.0 37.1 86 89 A Q H << S+ 0 0 84 -3,-1.0 2,-0.4 -4,-0.9 -2,-0.2 0.369 111.4 62.1-114.5 5.6 5.8 -4.0 37.4 87 90 A E < - 0 0 21 -4,-1.1 -1,-0.1 -3,-0.4 2,-0.1 -0.995 67.2-144.7-136.7 136.4 6.7 -3.8 41.2 88 91 A A + 0 0 80 -2,-0.4 3,-0.1 -3,-0.1 -83,-0.1 -0.250 52.1 84.1 -80.3 174.0 4.5 -4.1 44.2 89 92 A G S S- 0 0 34 1,-0.1 -86,-0.1 -2,-0.1 -2,-0.1 0.027 74.7-101.3 102.4 149.4 5.0 -2.2 47.4 90 93 A E S S+ 0 0 115 -88,-0.3 47,-3.0 -87,-0.1 2,-0.4 0.691 92.1 41.2 -87.9 -25.7 4.1 1.2 48.6 91 94 A W E -aD 4 136A 28 -88,-0.6 -86,-2.7 45,-0.2 2,-0.4 -0.961 55.0-167.2-132.3 144.9 7.2 3.4 48.2 92 95 A F E -aD 5 135A 0 43,-2.4 43,-3.1 -2,-0.4 2,-0.6 -0.993 9.9-157.6-127.2 139.7 9.9 3.8 45.5 93 96 A L E -aD 6 134A 0 -88,-2.7 -86,-3.0 -2,-0.4 2,-0.3 -0.952 22.6-166.3-114.1 106.0 13.3 5.6 45.8 94 97 A F E +aD 7 133A 0 39,-2.9 39,-1.1 -2,-0.6 -86,-0.2 -0.673 13.3 169.8 -88.8 145.8 14.3 6.4 42.3 95 98 A C E -a 8 0A 0 -88,-2.0 -86,-2.8 -2,-0.3 37,-0.2 -0.932 33.0-115.6-153.0 134.0 17.8 7.6 41.3 96 99 A P E > -a 9 0A 16 0, 0.0 3,-1.1 0, 0.0 -86,-0.2 -0.297 25.2-119.4 -68.2 162.8 19.4 8.0 37.9 97 100 A C T 3 S+ 0 0 6 -88,-2.0 -61,-0.3 1,-0.3 -62,-0.2 0.499 105.6 72.3 -80.7 -3.5 22.3 5.8 36.9 98 101 A N T 3 S+ 0 0 16 -89,-0.2 80,-2.5 1,-0.2 -1,-0.3 0.185 79.4 72.6 -91.6 -2.9 24.4 9.0 36.5 99 102 A T X + 0 0 0 -3,-1.1 3,-1.2 78,-0.2 -1,-0.2 -0.697 51.5 166.5-127.7 75.2 24.8 10.0 40.2 100 103 A P T 3 + 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 0.578 66.8 63.0 -76.1 -9.6 27.3 7.5 41.7 101 104 A Y T 3 + 0 0 74 75,-0.4 74,-0.1 73,-0.2 75,-0.1 0.252 65.9 147.0-101.8 16.1 28.0 9.3 44.9 102 105 A I < - 0 0 9 -3,-1.2 73,-0.1 74,-0.1 -7,-0.0 -0.139 48.6-113.8 -56.7 143.9 24.5 9.3 46.4 103 106 A P > - 0 0 11 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.352 10.7-116.5 -86.6 163.3 24.7 9.1 50.2 104 107 A P T 3 S+ 0 0 95 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.602 113.3 55.3 -75.4 -6.9 23.7 6.3 52.7 105 108 A D T 3> S+ 0 0 58 1,-0.1 4,-2.9 2,-0.1 5,-0.3 0.178 73.8 107.3-106.2 17.5 21.1 8.6 54.3 106 109 A L H <> S+ 0 0 0 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 0.950 86.0 37.1 -56.5 -57.3 19.3 9.4 51.1 107 110 A A H > S+ 0 0 7 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.919 118.4 50.8 -63.8 -44.2 16.2 7.3 51.9 108 111 A A H > S+ 0 0 64 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.897 113.4 43.6 -60.1 -45.4 16.3 8.1 55.6 109 112 A R H X S+ 0 0 69 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.898 113.4 50.2 -71.0 -42.0 16.5 11.9 55.1 110 113 A L H < S+ 0 0 0 -4,-2.2 4,-0.4 -5,-0.3 -2,-0.2 0.934 114.9 45.4 -60.4 -44.7 13.8 11.9 52.3 111 114 A N H >< S+ 0 0 76 -4,-2.5 3,-1.2 -5,-0.2 4,-0.5 0.930 111.1 51.9 -63.9 -41.5 11.5 9.9 54.5 112 115 A H H 3< S+ 0 0 141 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.866 117.4 40.5 -62.5 -32.5 12.2 12.1 57.6 113 116 A Q T 3< S+ 0 0 36 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.339 84.6 97.4 -98.6 5.7 11.4 15.2 55.6 114 117 A R X - 0 0 54 -3,-1.2 3,-2.3 -4,-0.4 -1,-0.2 0.880 59.0-171.7 -68.2 -36.6 8.4 13.9 53.6 115 118 A K T 3 S- 0 0 143 -4,-0.5 -3,-0.1 -3,-0.3 -2,-0.1 0.892 72.1 -46.8 49.3 52.4 6.0 15.5 56.1 116 119 A D T 3 S+ 0 0 157 1,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.243 103.7 132.7 78.8 -16.4 2.9 13.8 54.6 117 120 A A < - 0 0 12 -3,-2.3 -1,-0.2 1,-0.1 46,-0.1 -0.375 58.0-135.4 -67.6 146.6 3.7 14.6 50.9 118 121 A P S S+ 0 0 42 0, 0.0 18,-2.8 0, 0.0 2,-0.3 0.551 87.9 24.4 -80.3 -9.7 3.3 11.7 48.4 119 122 A V E +E 135 0A 1 43,-0.2 45,-1.2 16,-0.2 2,-0.3 -0.977 62.5 176.1-153.5 138.9 6.6 12.6 46.7 120 123 A V E -Ef 134 164A 0 14,-1.8 14,-2.4 -2,-0.3 2,-0.3 -0.977 8.7-169.1-136.5 156.6 9.8 14.3 47.7 121 124 A W E -Ef 133 165A 12 43,-1.6 45,-2.8 -2,-0.3 2,-0.3 -0.909 28.2 -87.6-140.3 166.6 13.0 14.9 45.9 122 125 A V E -Ef 129 166A 0 10,-1.8 7,-3.2 7,-0.9 2,-0.4 -0.581 26.4-170.9 -79.3 135.6 16.6 16.1 46.5 123 126 A H E -Ef 128 167A 47 43,-2.5 45,-3.4 -2,-0.3 5,-0.2 -0.990 8.4-161.0-118.4 130.9 17.7 19.7 46.2 124 127 A D - 0 0 45 3,-2.4 49,-0.2 -2,-0.4 4,-0.1 0.410 52.1 -94.3 -97.9 7.0 21.4 20.0 46.4 125 128 A G S S+ 0 0 49 2,-0.2 3,-0.1 45,-0.1 44,-0.1 -0.080 122.5 46.4 105.6 -27.3 21.5 23.7 47.4 126 129 A E S S+ 0 0 110 1,-0.4 2,-0.3 0, 0.0 -3,-0.0 0.739 119.8 3.6-110.3 -45.6 21.9 24.8 43.7 127 130 A R - 0 0 109 2,-0.0 -3,-2.4 0, 0.0 -1,-0.4 -0.969 69.5-102.3-145.8 158.2 19.3 22.8 41.9 128 131 A D E - E 0 123A 57 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.542 16.5-160.7 -74.9 148.1 16.6 20.3 42.1 129 132 A H E > + E 0 122A 3 -7,-3.2 3,-2.2 -2,-0.2 -7,-0.9 -0.776 16.7 174.4-123.0 77.4 17.1 16.7 41.2 130 133 A P E 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 0.640 73.7 59.7 -70.3 -12.5 13.5 15.6 40.7 131 134 A T E 3 S+ 0 0 27 1,-0.1 2,-0.9 -9,-0.1 -122,-0.1 0.406 87.9 75.4 -92.8 2.3 14.4 12.2 39.5 132 135 A I E < S+ 0 0 0 -3,-2.2 -10,-1.8 -10,-0.2 2,-0.4 -0.875 82.0 145.3-101.3 92.9 16.1 11.4 42.8 133 136 A A E -DE 94 121A 0 -39,-1.1 -39,-2.9 -2,-0.9 2,-0.6 -0.986 57.0-139.8-144.4 139.5 12.8 11.0 44.5 134 137 A L E -DE 93 120A 0 -14,-2.4 -14,-1.8 -2,-0.4 2,-0.4 -0.903 37.2-173.0 -99.0 121.8 10.9 9.0 47.1 135 138 A V E -DE 92 119A 3 -43,-3.1 -43,-2.4 -2,-0.6 2,-0.2 -0.946 17.6-139.4-128.6 129.2 7.5 8.3 45.6 136 139 A N E > -D 91 0A 19 -18,-2.8 3,-2.4 -2,-0.4 4,-0.3 -0.615 29.4-112.2 -82.2 147.5 4.4 6.8 47.1 137 140 A R T > S+ 0 0 60 -47,-3.0 3,-2.1 1,-0.3 -46,-0.1 0.706 110.1 75.2 -34.6 -40.1 2.2 4.3 45.2 138 141 A A T 3> S+ 0 0 65 1,-0.3 4,-0.5 -48,-0.2 -1,-0.3 0.668 85.2 65.3 -58.4 -21.1 -0.6 6.9 45.1 139 142 A I H <> S+ 0 0 8 -3,-2.4 4,-2.7 -21,-0.2 3,-0.3 0.738 79.0 84.2 -73.4 -26.5 1.4 8.7 42.4 140 143 A E H <> S+ 0 0 52 -3,-2.1 4,-2.6 -4,-0.3 5,-0.2 0.906 91.8 43.0 -50.1 -52.4 1.0 5.8 39.9 141 144 A P H > S+ 0 0 83 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.867 114.9 50.8 -63.0 -34.8 -2.5 6.8 38.5 142 145 A L H X S+ 0 0 53 -4,-0.5 4,-2.6 -3,-0.3 -2,-0.2 0.904 111.3 48.2 -64.9 -43.3 -1.5 10.5 38.4 143 146 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.905 111.4 50.5 -63.3 -41.5 1.7 9.6 36.4 144 147 A L H X S+ 0 0 49 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.944 111.7 47.8 -63.7 -46.5 -0.3 7.4 34.1 145 148 A E H X S+ 0 0 130 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.923 112.7 48.7 -60.8 -42.9 -2.8 10.2 33.5 146 149 A Y H <>S+ 0 0 15 -4,-2.6 5,-1.8 2,-0.2 -1,-0.2 0.925 114.7 43.1 -61.7 -47.5 -0.1 12.8 32.9 147 150 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.924 111.6 54.2 -72.5 -37.4 1.9 10.6 30.4 148 151 A Q H 3<5S+ 0 0 119 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.820 101.7 61.6 -57.8 -31.3 -1.3 9.5 28.6 149 152 A A T 3<5S- 0 0 71 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.484 123.5-106.9 -74.5 -4.1 -2.1 13.2 28.2 150 153 A G T < 5S+ 0 0 64 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.514 73.4 140.5 92.2 5.7 1.1 13.6 26.2 151 154 A E < + 0 0 68 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.0 -0.379 24.8 168.9 -79.9 157.9 3.1 15.4 28.9 152 155 A R + 0 0 153 -2,-0.1 -75,-0.4 -79,-0.1 2,-0.2 0.470 32.2 123.6-135.8 -17.2 6.7 14.9 29.7 153 156 A R > - 0 0 112 1,-0.1 4,-1.5 -78,-0.1 5,-0.1 -0.366 40.3-163.1 -71.4 123.1 7.9 17.6 32.1 154 157 A V H > S+ 0 0 21 -2,-0.2 4,-2.6 2,-0.2 5,-0.2 0.952 86.0 42.7 -68.4 -54.6 9.3 16.2 35.3 155 158 A M H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.910 112.6 54.5 -62.0 -39.3 9.2 19.2 37.6 156 159 A V H > S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.910 110.1 48.3 -60.0 -39.8 5.8 20.2 36.4 157 160 A F H X S+ 0 0 2 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.930 109.1 51.3 -65.5 -46.6 4.6 16.7 37.3 158 161 A M H <>S+ 0 0 2 -4,-2.6 5,-2.7 2,-0.2 4,-0.2 0.861 112.5 47.9 -59.9 -35.6 6.2 16.8 40.8 159 162 A R H ><5S+ 0 0 165 -4,-2.4 3,-1.4 3,-0.2 -2,-0.2 0.929 111.0 49.8 -68.2 -46.5 4.5 20.2 41.4 160 163 A L H 3<5S+ 0 0 113 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.850 108.5 54.9 -57.7 -36.1 1.1 18.8 40.1 161 164 A A T 3<5S- 0 0 12 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.534 116.9-112.9 -81.4 -4.4 1.6 15.8 42.5 162 165 A G T < 5 + 0 0 46 -3,-1.4 -43,-0.2 -4,-0.2 -3,-0.2 0.769 64.0 150.7 80.6 26.2 2.0 18.0 45.5 163 166 A G < - 0 0 18 -5,-2.7 2,-0.3 -6,-0.2 -43,-0.2 -0.288 28.4-154.3 -79.6 172.8 5.7 17.2 46.1 164 167 A H E -f 120 0A 62 -45,-1.2 -43,-1.6 -2,-0.1 2,-0.2 -0.991 20.2-105.3-145.0 158.9 8.4 19.2 47.7 165 168 A A E -f 121 0A 40 -2,-0.3 2,-0.5 -45,-0.2 -43,-0.2 -0.502 25.5-145.9 -74.9 144.1 12.2 19.5 47.6 166 169 A V E -f 122 0A 3 -45,-2.8 -43,-2.5 -2,-0.2 2,-0.6 -0.964 24.3-117.7-113.1 128.3 14.2 18.2 50.6 167 170 A D E +f 123 0A 85 -2,-0.5 3,-0.2 -45,-0.2 -43,-0.2 -0.545 43.8 158.4 -77.1 110.8 17.4 20.2 51.3 168 171 A F > + 0 0 0 -45,-3.4 3,-2.4 -2,-0.6 6,-0.2 -0.029 32.8 124.9-112.1 27.4 20.6 18.1 50.9 169 172 A S T 3 + 0 0 63 1,-0.3 4,-0.1 -46,-0.2 -1,-0.1 0.798 66.8 63.6 -59.3 -23.4 22.8 21.2 50.5 170 173 A D T 3 S+ 0 0 122 1,-0.2 2,-1.0 -3,-0.2 -1,-0.3 0.488 83.5 84.2 -79.9 0.0 25.0 20.0 53.4 171 174 A H S X S- 0 0 36 -3,-2.4 3,-1.6 -47,-0.1 4,-0.4 -0.712 83.1-141.1-105.2 86.6 25.9 16.9 51.4 172 175 A K T 3 - 0 0 107 -2,-1.0 -2,-0.1 1,-0.3 -3,-0.1 -0.171 68.5 -24.9 -59.1 118.2 28.8 18.2 49.4 173 176 A D T > S+ 0 0 103 -49,-0.2 3,-0.9 1,-0.2 -1,-0.3 0.598 92.8 127.5 58.3 17.0 28.9 16.8 45.8 174 177 A A T < S+ 0 0 11 -3,-1.6 -73,-0.2 1,-0.2 -1,-0.2 0.722 76.6 47.7 -67.7 -18.8 27.0 13.7 46.7 175 178 A F T 3 S+ 0 0 4 -4,-0.4 -1,-0.2 -7,-0.1 -73,-0.1 0.302 77.3 137.3-112.2 16.1 24.6 14.6 43.8 176 179 A V < - 0 0 27 -3,-0.9 -75,-0.4 1,-0.1 2,-0.4 -0.222 46.2-135.6 -60.0 145.3 27.1 15.3 41.1 177 180 A N - 0 0 28 -78,-0.1 2,-0.7 -77,-0.1 -78,-0.2 -0.844 11.7-158.0-107.1 142.7 26.1 13.9 37.7 178 181 A V + 0 0 0 -80,-2.5 -146,-0.0 -2,-0.4 -2,-0.0 -0.900 28.8 158.0-117.0 93.0 28.4 12.1 35.3 179 182 A N + 0 0 61 -2,-0.7 -1,-0.1 -80,-0.0 -157,-0.1 0.735 57.1 33.3 -92.9 -27.4 26.4 12.6 32.0 180 183 A T S > S- 0 0 55 1,-0.1 4,-1.7 -158,-0.0 5,-0.1 -0.821 80.0-112.4-124.8 162.4 29.2 12.2 29.4 181 184 A P H > S+ 0 0 67 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.798 117.7 61.2 -54.8 -30.1 32.4 10.1 29.0 182 185 A E H > S+ 0 0 160 1,-0.2 4,-1.0 2,-0.2 -4,-0.0 0.902 106.4 42.5 -72.9 -41.9 34.2 13.5 29.2 183 186 A E H > S+ 0 0 69 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.877 112.7 53.9 -64.8 -42.0 32.9 14.2 32.8 184 187 A L H >X S+ 0 0 9 -4,-1.7 3,-0.9 1,-0.2 4,-0.8 0.959 99.3 61.4 -57.7 -54.0 33.5 10.6 33.9 185 188 A A H >< S+ 0 0 68 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.826 103.9 52.1 -34.6 -46.7 37.1 10.9 32.7 186 189 A R H 3< S+ 0 0 135 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.885 104.3 54.5 -60.3 -42.9 37.5 13.7 35.3 187 190 A W H << 0 0 104 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.526 360.0 360.0 -77.6 -5.4 36.1 11.7 38.3 188 191 A Q << 0 0 112 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.1 0.763 360.0 360.0 -71.2 360.0 38.5 8.7 37.9