==== 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 1H4C . 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) . 8976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 67.6 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 . 14 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 24.5 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 0 158 0, 0.0 2,-0.3 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 0.3 7.9 -7.0 52.8 2 5 A T - 0 0 67 1,-0.1 3,-0.1 42,-0.0 42,-0.0 -0.908 360.0-129.3-120.7 163.2 10.2 -3.9 52.8 3 6 A T S S+ 0 0 106 -2,-0.3 88,-0.7 1,-0.2 2,-0.4 0.884 86.0 28.1 -83.5 -42.1 9.0 -0.3 52.9 4 7 A I E -a 91 0A 14 86,-0.1 2,-0.5 85,-0.1 42,-0.4 -0.989 66.1-148.7-123.4 129.2 10.9 1.4 50.0 5 8 A T E -a 92 0A 6 86,-2.6 88,-2.5 -2,-0.4 2,-0.3 -0.828 19.8-136.4 -88.9 127.8 12.1 -0.2 46.8 6 9 A G E -ab 93 47A 0 40,-2.7 42,-2.5 -2,-0.5 2,-0.4 -0.662 21.0-167.1 -81.3 143.6 15.2 1.4 45.4 7 10 A V E -ab 94 48A 0 86,-2.9 88,-1.9 -2,-0.3 2,-0.5 -0.969 14.5-153.1-137.2 124.1 15.3 2.0 41.6 8 11 A V E -ab 95 49A 0 40,-2.5 42,-3.1 -2,-0.4 2,-1.0 -0.777 16.2-147.2 -93.2 127.1 18.2 2.9 39.4 9 12 A L E +ab 96 50A 15 86,-2.8 88,-2.2 -2,-0.5 89,-0.2 -0.806 21.4 175.5 -97.6 102.5 16.9 4.8 36.4 10 13 A A - 0 0 12 40,-2.6 42,-0.3 -2,-1.0 13,-0.3 -0.006 48.2 -97.7-102.1 27.8 19.3 3.9 33.6 11 14 A G - 0 0 42 40,-0.1 41,-0.3 41,-0.1 -1,-0.3 0.127 31.9-130.0 96.5 165.5 17.4 5.8 30.8 12 15 A G + 0 0 33 39,-0.1 2,-0.2 -3,-0.1 40,-0.2 -0.123 63.2 48.5-117.4-140.5 14.9 4.9 28.1 13 16 A K - 0 0 73 60,-0.2 4,-0.0 1,-0.2 55,-0.0 -0.137 46.4-155.8 53.9 -99.4 14.5 5.4 24.3 14 17 A A - 0 0 40 -2,-0.2 -1,-0.2 4,-0.2 3,-0.2 0.906 25.4-180.0 67.1 61.2 17.5 4.5 22.2 15 18 A R S S+ 0 0 100 1,-0.3 2,-0.2 3,-0.3 -2,-0.1 0.323 74.9 25.1 -87.1 1.8 16.0 6.9 19.7 16 19 A A S S- 0 0 79 2,-0.0 -1,-0.3 3,-0.0 -2,-0.1 -0.732 137.1 -64.5-152.9 123.6 18.8 6.4 17.3 17 20 A M S S- 0 0 105 -2,-0.2 2,-1.4 1,-0.2 -2,-0.1 0.449 90.6 -84.2 -17.0 57.8 20.3 2.9 17.9 18 21 A G - 0 0 26 2,-0.0 2,-0.3 3,-0.0 -3,-0.3 -0.601 46.5-148.9 79.2 -84.5 21.3 4.2 21.3 19 22 A G S S+ 0 0 56 -2,-1.4 2,-0.0 -5,-0.1 -3,-0.0 -0.720 71.2 2.2 92.6-160.4 24.6 6.1 21.2 20 23 A V - 0 0 91 -2,-0.3 2,-1.1 1,-0.1 3,-0.1 -0.310 68.3-137.2 -59.3 133.4 26.6 5.9 24.5 21 24 A D >> - 0 0 23 1,-0.2 3,-1.4 2,-0.0 4,-0.6 -0.773 22.2-166.6 -88.8 97.8 25.0 3.7 27.2 22 25 A K G >4 S+ 0 0 63 -2,-1.1 3,-1.4 1,-0.3 10,-0.4 0.879 79.2 56.9 -62.3 -38.8 25.7 6.1 30.1 23 26 A G G 34 S+ 0 0 1 -13,-0.3 10,-2.4 1,-0.3 11,-0.4 0.739 105.4 53.2 -66.1 -20.0 24.9 3.6 32.9 24 27 A L G <4 S+ 0 0 36 -3,-1.4 -1,-0.3 7,-0.2 -2,-0.2 0.528 78.8 114.1 -94.9 -6.7 27.4 1.2 31.6 25 28 A L << - 0 0 35 -3,-1.4 7,-2.7 -4,-0.6 2,-0.4 -0.402 69.7-121.8 -57.7 141.8 30.3 3.7 31.5 26 29 A E E -G 31 0B 109 5,-0.3 2,-0.5 6,-0.1 3,-0.1 -0.762 24.5-169.5-102.6 132.6 32.9 2.6 34.0 27 30 A L E > S-G 30 0B 0 3,-2.9 3,-1.8 -2,-0.4 158,-0.1 -0.973 85.4 -16.7-115.3 118.6 34.1 4.6 37.0 28 31 A N T 3 S- 0 0 103 -2,-0.5 -1,-0.2 1,-0.3 160,-0.0 0.912 132.0 -50.3 45.3 49.1 37.1 3.0 38.6 29 32 A G T 3 S+ 0 0 62 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.382 122.0 100.0 81.1 -4.9 36.3 -0.3 36.8 30 33 A K E < S-G 27 0B 80 -3,-1.8 -3,-2.9 -5,-0.0 -1,-0.1 -0.961 79.2-109.2-122.3 128.2 32.6 -0.3 37.9 31 34 A P E >> -G 26 0B 31 0, 0.0 4,-1.8 0, 0.0 3,-0.6 -0.201 27.3-122.9 -54.1 140.2 29.7 0.7 35.8 32 35 A L H 3> S+ 0 0 0 -7,-2.7 4,-1.9 -10,-0.4 5,-0.2 0.882 111.9 55.9 -50.0 -45.7 28.1 4.0 36.9 33 36 A W H 3> S+ 0 0 4 -10,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.865 105.6 52.9 -63.8 -29.8 24.7 2.4 37.3 34 37 A Q H <> S+ 0 0 24 -3,-0.6 4,-2.9 -11,-0.4 5,-0.2 0.841 103.2 56.2 -74.2 -30.9 26.3 -0.2 39.7 35 38 A H H X S+ 0 0 34 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.936 111.9 44.0 -58.9 -45.0 27.8 2.6 41.8 36 39 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 61,-0.3 -2,-0.2 0.921 113.8 49.4 -65.2 -47.5 24.2 3.9 42.2 37 40 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.885 110.6 50.3 -59.8 -41.7 22.8 0.5 42.9 38 41 A D H X S+ 0 0 47 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.898 109.9 50.7 -62.3 -38.8 25.4 -0.3 45.5 39 42 A A H X S+ 0 0 17 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.879 111.8 47.3 -68.6 -35.9 24.7 3.0 47.2 40 43 A L H >X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-1.0 0.898 107.7 56.3 -68.9 -39.9 21.0 2.2 47.3 41 44 A M H 3< S+ 0 0 72 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.790 96.7 64.6 -65.2 -27.0 21.7 -1.3 48.6 42 45 A T H 3< S+ 0 0 108 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.874 119.1 24.6 -54.1 -36.9 23.6 0.2 51.5 43 46 A Q H << S+ 0 0 39 -3,-1.0 2,-0.3 -4,-0.7 -2,-0.2 0.539 125.3 43.2-109.5 -10.8 20.3 1.7 52.6 44 47 A L < - 0 0 19 -4,-1.8 -1,-0.2 1,-0.1 3,-0.1 -1.000 59.0-147.7-140.4 142.5 17.6 -0.5 51.1 45 48 A S S S+ 0 0 110 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.810 87.5 52.9 -76.8 -31.2 17.2 -4.3 50.8 46 49 A H + 0 0 67 -42,-0.4 -40,-2.7 -6,-0.1 2,-0.4 -0.930 65.3 164.1-118.7 111.2 15.3 -4.4 47.5 47 50 A V E +b 6 0A 7 -2,-0.6 17,-0.5 -42,-0.2 2,-0.3 -0.981 7.0 176.9-131.0 137.1 16.8 -2.6 44.6 48 51 A V E -b 7 0A 0 -42,-2.5 -40,-2.5 -2,-0.4 2,-0.4 -0.829 19.7-131.4-129.9 171.0 16.0 -2.9 40.9 49 52 A V E -bc 8 65A 0 15,-2.5 17,-3.1 -2,-0.3 2,-0.7 -0.991 4.0-145.9-132.7 135.3 17.1 -1.2 37.7 50 53 A N E +bc 9 66A 4 -42,-3.1 -40,-2.6 -2,-0.4 2,-0.3 -0.892 36.9 155.3 -94.7 114.8 15.1 0.3 34.8 51 54 A A - 0 0 0 15,-1.4 -40,-0.1 -2,-0.7 -39,-0.1 -0.994 29.4-175.7-144.6 146.5 17.0 -0.2 31.6 52 55 A N S S+ 0 0 35 -2,-0.3 2,-0.3 -41,-0.3 -40,-0.1 0.300 71.5 49.7-125.8 0.1 15.9 -0.4 28.0 53 56 A R S S+ 0 0 47 -43,-0.2 5,-0.2 -42,-0.1 -1,-0.0 -0.964 110.9 11.8-136.6 154.5 19.2 -1.3 26.2 54 57 A H S >> S+ 0 0 84 -2,-0.3 4,-2.0 1,-0.1 3,-1.4 0.828 71.1 167.1 50.5 38.0 21.9 -3.9 26.8 55 58 A Q H 3> + 0 0 49 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.828 68.7 58.3 -57.0 -38.9 19.5 -5.6 29.3 56 59 A E H 3> S+ 0 0 70 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.846 106.7 49.2 -58.5 -35.4 21.6 -8.8 29.4 57 60 A I H X4 S+ 0 0 100 -3,-1.4 3,-1.4 1,-0.2 4,-0.4 0.942 111.3 48.3 -70.9 -48.3 24.6 -6.6 30.6 58 61 A Y H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 5,-0.4 0.859 107.3 57.6 -57.3 -35.3 22.4 -5.0 33.3 59 62 A Q H >< S+ 0 0 104 -4,-2.4 3,-2.0 -5,-0.2 -1,-0.2 0.687 84.5 86.6 -68.8 -15.8 21.2 -8.4 34.4 60 63 A A T << S+ 0 0 86 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.810 81.8 55.6 -60.7 -31.6 24.8 -9.6 35.0 61 64 A S T < S- 0 0 55 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.1 0.412 116.2-109.3 -88.1 8.4 24.9 -8.3 38.6 62 65 A G S < S+ 0 0 66 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.568 74.2 127.7 87.2 6.0 21.9 -10.2 39.6 63 66 A L - 0 0 32 -5,-0.4 -1,-0.3 1,-0.1 2,-0.3 -0.681 68.7 -95.8 -90.9 155.5 19.3 -7.4 40.1 64 67 A K - 0 0 101 -17,-0.5 -15,-2.5 -2,-0.2 2,-0.6 -0.540 36.4-148.4 -66.7 129.8 15.9 -7.4 38.4 65 68 A V E -c 49 0A 21 -2,-0.3 2,-0.5 -17,-0.2 -15,-0.2 -0.919 10.2-160.6-104.7 124.2 15.9 -5.4 35.2 66 69 A I E -c 50 0A 1 -17,-3.1 -15,-1.4 -2,-0.6 2,-0.3 -0.895 3.5-155.6-109.0 125.0 12.7 -3.6 34.3 67 70 A E - 0 0 85 -2,-0.5 -15,-0.1 -17,-0.2 -55,-0.1 -0.691 26.0 -98.7 -98.5 149.8 12.0 -2.4 30.8 68 71 A D - 0 0 34 -2,-0.3 11,-0.1 1,-0.1 -1,-0.1 -0.311 43.4 -98.3 -63.0 149.2 9.6 0.4 29.8 69 72 A S > - 0 0 37 9,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.236 34.0-106.4 -62.4 155.8 6.1 -0.3 28.5 70 73 A L T 3 S+ 0 0 177 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.652 108.7 85.9 -60.4 -18.1 5.4 -0.4 24.8 71 74 A A T 3 S- 0 0 45 1,-0.1 -1,-0.3 7,-0.1 -2,-0.0 0.769 84.6-150.5 -52.7 -28.0 3.6 3.0 25.2 72 75 A D < - 0 0 119 -3,-2.0 -2,-0.1 1,-0.1 -1,-0.1 0.917 20.1-172.4 55.5 47.3 7.0 4.5 24.8 73 76 A Y - 0 0 55 -4,-0.2 -60,-0.2 5,-0.1 2,-0.2 -0.389 23.3-104.3 -69.7 153.6 6.3 7.6 26.9 74 77 A P - 0 0 56 0, 0.0 4,-0.3 0, 0.0 3,-0.3 -0.531 67.1 -1.7 -84.2 142.2 8.9 10.3 27.0 75 78 A G S >> S- 0 0 47 -2,-0.2 3,-1.4 1,-0.2 4,-0.7 -0.005 100.3 -45.3 85.9 179.1 11.4 11.2 29.6 76 79 A P H >> S+ 0 0 61 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.776 124.4 67.3 -63.8 -27.7 12.3 10.0 33.1 77 80 A L H 3> S+ 0 0 0 75,-0.4 4,-2.5 -3,-0.3 5,-0.2 0.786 92.0 63.1 -62.4 -27.8 8.7 9.8 34.3 78 81 A A H <> S+ 0 0 3 -3,-1.4 4,-2.5 -4,-0.3 -9,-0.3 0.893 104.2 46.0 -64.7 -37.5 8.1 7.0 31.8 79 82 A G H X S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 4,-1.0 0.952 110.5 49.6 -63.1 -46.7 8.6 0.4 37.4 84 87 A M H 3< S+ 0 0 2 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.852 110.2 52.4 -61.5 -32.5 5.5 1.2 39.6 85 88 A Q H 3< S+ 0 0 83 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.712 117.2 38.2 -73.2 -17.8 3.4 -0.9 37.1 86 89 A Q H << S+ 0 0 85 -3,-1.1 2,-0.4 -4,-0.8 -2,-0.2 0.364 110.9 61.5-117.9 5.1 5.9 -3.9 37.5 87 90 A E < - 0 0 22 -4,-1.0 -1,-0.1 -3,-0.3 2,-0.1 -0.999 68.4-143.4-136.7 138.7 6.7 -3.7 41.2 88 91 A A + 0 0 81 -2,-0.4 3,-0.1 -3,-0.1 -83,-0.1 -0.252 52.3 81.5 -84.2 173.1 4.5 -4.0 44.2 89 92 A G S S- 0 0 34 1,-0.1 -86,-0.1 -2,-0.1 -2,-0.1 -0.031 75.1 -98.3 105.2 150.9 4.9 -2.1 47.3 90 93 A E S S+ 0 0 135 -87,-0.1 47,-2.9 46,-0.1 2,-0.4 0.687 91.9 38.1 -92.1 -23.1 4.1 1.3 48.6 91 94 A W E -aD 4 136A 35 -88,-0.7 -86,-2.6 45,-0.2 2,-0.4 -0.966 54.3-168.8-134.1 146.2 7.2 3.5 48.2 92 95 A F E -aD 5 135A 0 43,-2.2 43,-3.0 -2,-0.4 2,-0.6 -0.994 11.1-155.9-129.4 143.0 10.0 3.9 45.6 93 96 A L E -aD 6 134A 0 -88,-2.5 -86,-2.9 -2,-0.4 2,-0.3 -0.961 22.5-165.3-117.3 105.9 13.3 5.8 45.9 94 97 A F E +aD 7 133A 0 39,-2.9 39,-1.0 -2,-0.6 -86,-0.2 -0.665 13.0 171.6 -88.0 147.7 14.4 6.6 42.3 95 98 A C E -a 8 0A 0 -88,-1.9 -86,-2.8 -2,-0.3 37,-0.2 -0.932 32.1-115.2-152.7 133.9 17.9 7.7 41.4 96 99 A P E > -a 9 0A 18 0, 0.0 3,-1.0 0, 0.0 -86,-0.2 -0.284 27.6-116.2 -65.8 160.5 19.4 8.2 37.9 97 100 A C T 3 S+ 0 0 10 -88,-2.2 -61,-0.3 1,-0.2 -62,-0.2 0.487 105.1 65.2 -76.8 -1.5 22.3 6.0 36.9 98 101 A D T 3 S+ 0 0 18 -89,-0.2 80,-2.5 1,-0.1 -1,-0.2 0.171 78.6 79.6-108.5 13.5 24.8 9.0 36.6 99 102 A T X + 0 0 2 -3,-1.0 3,-1.1 78,-0.2 78,-0.2 -0.721 51.5 167.7-122.2 77.5 25.0 10.2 40.3 100 103 A P T 3 + 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 0.575 65.0 61.3 -75.1 -8.4 27.4 7.7 41.8 101 104 A Y T 3 + 0 0 99 75,-0.4 74,-0.1 73,-0.3 75,-0.1 0.170 65.6 147.9-106.3 17.7 28.1 9.4 45.1 102 105 A I < - 0 0 9 -3,-1.1 73,-0.1 1,-0.1 -7,-0.0 -0.207 49.2-111.3 -58.7 144.6 24.6 9.5 46.5 103 106 A P > - 0 0 10 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.340 10.1-116.8 -86.3 160.6 24.8 9.3 50.3 104 107 A P T 3 S+ 0 0 95 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.587 113.3 54.9 -74.0 -6.6 23.8 6.5 52.8 105 108 A D T 3> S+ 0 0 58 1,-0.1 4,-2.9 2,-0.1 5,-0.3 0.160 74.1 107.0-106.6 20.7 21.1 8.8 54.4 106 109 A L H <> S+ 0 0 0 -3,-1.7 4,-2.3 2,-0.2 5,-0.2 0.944 85.8 38.1 -58.3 -56.2 19.3 9.6 51.1 107 110 A A H > S+ 0 0 7 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.929 118.2 50.3 -62.7 -44.3 16.3 7.4 51.9 108 111 A A H > S+ 0 0 63 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.899 113.3 43.5 -64.6 -42.0 16.3 8.3 55.6 109 112 A R H X S+ 0 0 71 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.907 113.7 50.3 -72.7 -41.5 16.4 12.1 55.1 110 113 A L H < S+ 0 0 0 -4,-2.3 4,-0.4 -5,-0.3 -2,-0.2 0.931 114.6 45.8 -60.0 -44.2 13.8 12.1 52.3 111 114 A N H >< S+ 0 0 79 -4,-2.6 3,-1.2 -5,-0.2 4,-0.4 0.931 111.6 51.0 -63.3 -41.0 11.5 10.0 54.5 112 115 A H H 3< S+ 0 0 139 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.867 116.3 42.4 -65.1 -32.9 12.2 12.2 57.6 113 116 A Q T 3< S+ 0 0 38 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.355 83.5 97.8 -96.9 3.9 11.4 15.3 55.6 114 117 A R X - 0 0 55 -3,-1.2 3,-2.3 -4,-0.4 -1,-0.2 0.873 58.2-171.3 -65.0 -35.0 8.3 14.0 53.7 115 118 A K T 3 S- 0 0 145 -4,-0.4 -1,-0.1 -3,-0.4 -3,-0.1 0.877 72.8 -47.5 46.6 52.1 5.9 15.6 56.2 116 119 A D T 3 S+ 0 0 155 1,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.310 103.4 133.2 76.3 -7.5 2.8 13.9 54.7 117 120 A A < - 0 0 12 -3,-2.3 -1,-0.2 1,-0.1 46,-0.1 -0.438 57.3-136.4 -72.7 147.3 3.6 14.7 51.0 118 121 A P S S+ 0 0 42 0, 0.0 18,-2.7 0, 0.0 2,-0.3 0.557 88.0 27.4 -80.3 -10.8 3.3 11.8 48.5 119 122 A V E +E 135 0A 0 43,-0.2 45,-1.2 16,-0.2 2,-0.3 -0.988 61.6 174.2-150.7 138.7 6.6 12.7 46.7 120 123 A V E -Ef 134 164A 0 14,-1.8 14,-2.5 -2,-0.3 2,-0.3 -0.981 9.4-169.9-138.2 155.3 9.8 14.5 47.8 121 124 A W E -Ef 133 165A 12 43,-1.6 45,-3.0 -2,-0.3 2,-0.3 -0.904 28.2 -87.8-140.9 168.5 13.0 15.0 45.9 122 125 A V E -Ef 129 166A 0 10,-1.6 7,-3.2 7,-0.9 2,-0.4 -0.604 26.3-171.5 -83.0 133.8 16.6 16.2 46.5 123 126 A H E -Ef 128 167A 50 43,-2.5 45,-3.3 -2,-0.3 5,-0.2 -0.987 7.8-162.1-117.4 131.9 17.7 19.8 46.3 124 127 A D - 0 0 44 3,-2.5 49,-0.2 -2,-0.4 4,-0.1 0.421 51.8 -95.2-100.6 6.0 21.5 20.1 46.5 125 128 A G S S+ 0 0 49 2,-0.2 3,-0.1 45,-0.1 44,-0.1 -0.064 122.2 46.8 105.1 -25.2 21.6 23.8 47.4 126 129 A E S S+ 0 0 112 1,-0.4 2,-0.3 0, 0.0 -3,-0.0 0.725 119.9 4.9-110.5 -41.5 22.1 24.9 43.8 127 130 A R - 0 0 115 2,-0.0 -3,-2.5 0, 0.0 -1,-0.4 -0.968 69.0-104.0-147.1 157.0 19.5 22.9 41.9 128 131 A D E - E 0 123A 57 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.567 17.7-161.1 -71.9 145.5 16.6 20.5 42.1 129 132 A H E > + E 0 122A 5 -7,-3.2 3,-2.2 -2,-0.2 -7,-0.9 -0.757 16.3 174.3-121.6 77.6 17.2 16.8 41.3 130 133 A P E 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 0.600 73.7 60.9 -71.2 -8.6 13.5 15.8 40.7 131 134 A T E 3 S+ 0 0 30 1,-0.1 2,-0.8 -9,-0.1 -122,-0.1 0.369 87.4 74.7 -92.7 -1.7 14.5 12.3 39.5 132 135 A I E < S+ 0 0 0 -3,-2.2 -10,-1.6 -37,-0.2 2,-0.4 -0.876 81.9 147.1-101.6 93.7 16.2 11.5 42.9 133 136 A A E -DE 94 121A 0 -39,-1.0 -39,-2.9 -2,-0.8 2,-0.6 -0.982 54.9-142.4-144.9 138.1 12.7 11.1 44.4 134 137 A L E -DE 93 120A 0 -14,-2.5 -14,-1.8 -2,-0.4 2,-0.4 -0.920 36.1-174.7-102.0 120.5 10.9 9.2 47.1 135 138 A V E -DE 92 119A 2 -43,-3.0 -43,-2.2 -2,-0.6 2,-0.2 -0.956 19.1-137.6-129.9 130.6 7.4 8.5 45.6 136 139 A N E > -D 91 0A 32 -18,-2.7 3,-2.3 -2,-0.4 -45,-0.2 -0.628 29.6-112.1 -83.9 148.6 4.3 6.9 47.1 137 140 A R T > S+ 0 0 59 -47,-2.9 3,-2.1 1,-0.3 -46,-0.1 0.691 110.0 75.8 -39.1 -37.7 2.2 4.4 45.2 138 141 A A T 3> S+ 0 0 64 1,-0.3 4,-0.5 -48,-0.2 -1,-0.3 0.669 83.9 66.1 -57.6 -20.0 -0.6 6.9 45.1 139 142 A I H <> S+ 0 0 9 -3,-2.3 4,-2.7 1,-0.2 3,-0.4 0.727 78.8 85.0 -73.6 -24.4 1.3 8.7 42.4 140 143 A E H <> S+ 0 0 51 -3,-2.1 4,-2.7 1,-0.2 5,-0.2 0.889 91.1 42.9 -52.0 -54.1 0.9 5.9 39.9 141 144 A P H > S+ 0 0 85 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.854 115.6 50.4 -61.7 -35.2 -2.6 6.8 38.6 142 145 A L H X S+ 0 0 54 -4,-0.5 4,-2.8 -3,-0.4 -2,-0.2 0.910 111.9 47.4 -67.0 -42.7 -1.6 10.5 38.4 143 146 A L H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.906 111.3 51.2 -62.7 -43.5 1.6 9.7 36.5 144 147 A L H X S+ 0 0 51 -4,-2.7 4,-2.8 -5,-0.3 -2,-0.2 0.944 111.7 47.5 -62.1 -45.2 -0.3 7.4 34.1 145 148 A E H X S+ 0 0 128 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.923 112.5 49.0 -63.3 -42.6 -2.9 10.2 33.5 146 149 A Y H <>S+ 0 0 17 -4,-2.8 5,-1.9 2,-0.2 -1,-0.2 0.920 114.5 43.2 -63.5 -45.2 -0.2 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 0.913 111.3 54.8 -70.6 -38.8 1.8 10.7 30.4 148 151 A Q H 3<5S+ 0 0 117 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.841 101.8 60.4 -61.2 -29.1 -1.4 9.5 28.6 149 152 A A T 3<5S- 0 0 71 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.490 123.9-107.2 -72.9 -6.9 -2.1 13.3 28.2 150 153 A G T < 5S+ 0 0 62 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.498 73.2 140.4 92.2 9.1 1.1 13.6 26.2 151 154 A E < + 0 0 72 -5,-1.9 -1,-0.3 1,-0.1 -2,-0.0 -0.360 24.0 169.8 -82.7 159.0 3.0 15.5 28.9 152 155 A R + 0 0 153 -2,-0.1 -75,-0.4 -79,-0.1 2,-0.2 0.479 31.1 124.4-136.3 -18.1 6.7 14.9 29.8 153 156 A R > - 0 0 116 1,-0.1 4,-1.6 -78,-0.1 5,-0.1 -0.363 40.2-162.5 -71.1 123.2 7.9 17.7 32.2 154 157 A V H > S+ 0 0 20 -2,-0.2 4,-2.5 2,-0.2 5,-0.2 0.952 85.9 42.8 -68.4 -56.4 9.3 16.2 35.4 155 158 A M H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.902 112.5 55.1 -58.3 -41.4 9.3 19.2 37.7 156 159 A V H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.929 110.0 47.0 -58.9 -42.4 5.9 20.2 36.5 157 160 A F H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.921 108.8 53.2 -64.9 -44.6 4.6 16.8 37.4 158 161 A M H <>S+ 0 0 2 -4,-2.5 5,-2.7 1,-0.2 -1,-0.2 0.881 112.1 46.8 -59.8 -35.5 6.2 16.8 40.8 159 162 A R H ><5S+ 0 0 159 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.933 110.7 50.1 -69.8 -48.0 4.5 20.1 41.5 160 163 A L H 3<5S+ 0 0 114 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.840 107.4 57.0 -56.5 -34.3 1.1 18.9 40.3 161 164 A A T 3<5S- 0 0 13 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.533 119.1-110.7 -79.2 -6.6 1.5 15.8 42.5 162 165 A G T < 5 + 0 0 46 -3,-1.6 -43,-0.2 -4,-0.2 -3,-0.2 0.721 65.6 150.2 87.0 26.0 1.9 18.0 45.6 163 166 A G < - 0 0 17 -5,-2.7 2,-0.3 -6,-0.2 -43,-0.2 -0.248 28.4-155.1 -84.1 173.8 5.6 17.2 46.2 164 167 A H E -f 120 0A 61 -45,-1.2 -43,-1.6 -2,-0.0 2,-0.2 -0.992 20.7-104.8-147.0 155.8 8.4 19.3 47.7 165 168 A A E -f 121 0A 41 -2,-0.3 2,-0.5 -45,-0.2 -43,-0.2 -0.520 25.7-146.0 -73.2 144.4 12.1 19.6 47.7 166 169 A V E -f 122 0A 3 -45,-3.0 -43,-2.5 -2,-0.2 2,-0.6 -0.956 23.3-118.2-112.1 130.3 14.2 18.3 50.6 167 170 A D E +f 123 0A 86 -2,-0.5 3,-0.2 -45,-0.2 -43,-0.2 -0.530 43.6 157.4 -79.4 111.3 17.4 20.3 51.4 168 171 A F > + 0 0 0 -45,-3.3 3,-2.2 -2,-0.6 6,-0.2 0.003 32.2 125.3-114.5 26.3 20.6 18.3 51.0 169 172 A S T 3 + 0 0 64 1,-0.3 4,-0.1 -46,-0.2 -1,-0.1 0.768 67.1 63.0 -57.2 -23.6 22.8 21.3 50.6 170 173 A D T 3 S+ 0 0 121 -3,-0.2 2,-1.2 1,-0.1 -1,-0.3 0.477 80.6 87.9 -80.6 0.6 25.0 20.1 53.5 171 174 A H S X S- 0 0 33 -3,-2.2 3,-1.2 -47,-0.1 4,-0.4 -0.770 82.5-140.8-102.8 90.0 26.0 17.0 51.6 172 175 A K T 3 S- 0 0 106 -2,-1.2 -2,-0.1 1,-0.3 -3,-0.1 -0.297 70.1 -25.4 -59.0 112.9 29.0 18.4 49.7 173 176 A D T > S+ 0 0 117 -2,-0.2 3,-1.0 -49,-0.2 -1,-0.3 0.566 92.4 128.1 69.8 8.2 29.1 17.0 46.2 174 177 A A T < S+ 0 0 11 -3,-1.2 -73,-0.3 1,-0.2 -1,-0.1 0.701 76.6 48.2 -68.6 -16.2 27.1 13.8 46.9 175 178 A F T 3 S+ 0 0 4 -4,-0.4 -1,-0.2 -7,-0.1 -73,-0.1 0.259 75.1 132.1-115.2 16.9 24.8 14.7 44.0 176 179 A V < - 0 0 62 -3,-1.0 -75,-0.4 -75,-0.1 2,-0.3 -0.328 44.5-148.7 -61.7 142.4 27.3 15.6 41.2 177 180 A N - 0 0 27 -78,-0.2 2,-0.8 -77,-0.1 -78,-0.2 -0.896 14.8-125.5-118.9 155.2 26.4 13.8 38.0 178 181 A V + 0 0 4 -80,-2.5 4,-0.0 -2,-0.3 -79,-0.0 -0.837 29.9 174.9 -92.9 104.2 28.4 12.4 35.1 179 182 A N + 0 0 87 -2,-0.8 -1,-0.2 1,-0.1 -157,-0.1 0.868 62.0 3.8 -78.3 -38.2 26.9 14.1 32.0 180 183 A T S > S- 0 0 57 1,-0.1 4,-2.3 -158,-0.0 3,-0.2 -0.909 74.4-102.9-141.8 163.8 29.3 12.8 29.4 181 184 A P H > S+ 0 0 64 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.919 122.1 61.9 -53.7 -42.1 32.3 10.4 28.9 182 185 A E H > S+ 0 0 165 1,-0.2 4,-0.7 2,-0.2 -4,-0.0 0.898 107.6 42.3 -50.0 -47.2 34.3 13.7 28.8 183 186 A E H >> S+ 0 0 77 1,-0.2 3,-0.9 2,-0.2 4,-0.8 0.898 109.0 57.9 -67.3 -42.0 33.2 14.4 32.4 184 187 A L H >X S+ 0 0 10 -4,-2.3 3,-1.3 1,-0.2 4,-0.5 0.903 96.9 62.9 -54.4 -44.6 33.6 10.9 33.6 185 188 A A H >< S+ 0 0 71 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.821 99.1 55.8 -51.0 -37.8 37.3 10.9 32.6 186 189 A R H << S+ 0 0 138 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.791 103.2 53.9 -64.6 -31.8 37.9 13.8 35.2 187 190 A W H << 0 0 53 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.491 360.0 360.0 -87.1 -0.8 36.5 11.7 38.2 188 191 A Q << 0 0 114 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.1 0.924 360.0 360.0 -73.6 360.0 38.8 8.7 37.6