==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLAVOPROTEIN 14-FEB-13 4J8P . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES UNIFORMIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 156 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.6 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 . 1 0.6 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 . 12 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 2 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 23 A K 0 0 132 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 28.0 53.7 10.2 -8.4 2 24 A G + 0 0 52 1,-0.1 75,-0.2 75,-0.1 74,-0.1 -0.142 360.0 79.8-103.4-162.2 52.8 11.2 -4.8 3 25 A G + 0 0 51 72,-0.3 74,-0.2 1,-0.2 -1,-0.1 0.663 68.3 144.2 69.6 21.3 50.8 13.9 -3.0 4 26 A K E -a 77 0A 86 72,-2.6 74,-2.2 -3,-0.1 75,-1.4 -0.294 46.5-123.0 -87.2 168.9 47.5 11.9 -3.7 5 27 A T E -a 79 0A 29 23,-0.4 25,-2.6 72,-0.2 2,-0.4 -0.958 16.8-161.2-119.3 134.1 44.4 11.6 -1.5 6 28 A L E -ab 80 30A 4 73,-2.5 75,-3.0 -2,-0.4 2,-0.6 -0.942 5.4-161.5-110.1 134.7 42.9 8.3 -0.3 7 29 A V E +ab 81 31A 0 23,-3.3 25,-2.7 -2,-0.4 2,-0.3 -0.933 20.2 179.7-115.3 98.8 39.3 8.1 1.0 8 30 A A E +ab 82 32A 0 73,-2.9 75,-2.6 -2,-0.6 2,-0.3 -0.793 5.6 171.2 -96.9 140.9 39.2 4.8 3.0 9 31 A Y E -ab 83 33A 12 23,-1.7 25,-3.2 -2,-0.3 2,-0.4 -0.997 29.4-148.3-151.4 152.8 36.0 3.7 4.7 10 32 A F + 0 0 3 73,-2.5 2,-0.3 -2,-0.3 25,-0.1 -0.957 24.5 170.7-113.9 139.0 34.3 0.9 6.6 11 33 A S - 0 0 16 -2,-0.4 -2,-0.0 23,-0.4 73,-0.0 -0.954 20.1-178.1-150.7 126.2 30.5 0.5 6.2 12 34 A A S S+ 0 0 34 -2,-0.3 -1,-0.1 1,-0.1 33,-0.1 0.776 92.1 19.4 -90.7 -34.9 28.4 -2.4 7.4 13 35 A T S S- 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.098 110.8-101.9-126.8 22.1 25.0 -1.3 6.0 14 36 A G S > S+ 0 0 13 1,-0.1 4,-1.7 4,-0.0 5,-0.1 0.280 91.2 108.4 84.9 -8.7 26.0 1.2 3.3 15 37 A T H > S+ 0 0 84 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.970 87.6 39.1 -67.3 -50.7 25.4 4.6 5.0 16 38 A T H > S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.847 111.0 61.7 -67.7 -32.0 29.1 5.5 5.5 17 39 A A H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 106.2 45.3 -59.2 -42.5 29.9 4.0 2.0 18 40 A R H X S+ 0 0 178 -4,-1.7 4,-1.8 -3,-0.2 -2,-0.2 0.896 113.5 48.9 -71.2 -37.9 27.6 6.6 0.4 19 41 A A H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.930 111.1 51.2 -64.9 -40.7 29.1 9.5 2.5 20 42 A A H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.858 105.3 55.4 -65.3 -34.6 32.6 8.3 1.6 21 43 A K H X S+ 0 0 97 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.933 109.2 47.7 -60.9 -45.0 31.7 8.2 -2.2 22 44 A L H X S+ 0 0 43 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.892 112.6 48.6 -63.0 -41.0 30.6 11.9 -1.8 23 45 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.945 110.1 51.0 -63.3 -48.3 33.9 12.7 0.0 24 46 A A H X>S+ 0 0 9 -4,-3.0 5,-2.3 1,-0.2 4,-0.8 0.890 112.4 47.7 -56.6 -39.4 36.1 10.9 -2.6 25 47 A E H ><5S+ 0 0 126 -4,-2.1 3,-0.7 -5,-0.2 -1,-0.2 0.936 111.4 49.9 -66.2 -45.7 34.3 12.9 -5.4 26 48 A A H 3<5S+ 0 0 45 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.800 121.4 33.1 -64.5 -33.1 34.7 16.2 -3.5 27 49 A V H 3<5S- 0 0 28 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.363 105.1-121.2-103.9 1.3 38.5 15.7 -2.9 28 50 A D T <<5 + 0 0 150 -4,-0.8 -23,-0.4 -3,-0.7 -3,-0.2 0.923 61.8 156.8 54.6 48.1 39.3 13.8 -6.2 29 51 A G < - 0 0 19 -5,-2.3 2,-0.4 -6,-0.2 -23,-0.2 -0.571 52.7 -94.9-102.3 163.9 40.5 10.9 -4.0 30 52 A T E -b 6 0A 57 -25,-2.6 -23,-3.3 -2,-0.2 2,-0.5 -0.695 39.8-132.1 -75.6 125.9 40.9 7.2 -4.5 31 53 A F E +b 7 0A 95 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.738 34.2 176.0 -84.5 120.6 37.8 5.4 -3.2 32 54 A Y E -b 8 0A 73 -25,-2.7 -23,-1.7 -2,-0.5 2,-0.5 -0.982 21.5-146.5-135.3 127.0 38.9 2.5 -1.0 33 55 A E E -b 9 0A 66 -2,-0.4 2,-0.7 -25,-0.2 -23,-0.2 -0.794 13.6-137.4 -97.7 130.4 36.9 0.1 1.1 34 56 A I - 0 0 1 -25,-3.2 -23,-0.4 -2,-0.5 60,-0.1 -0.735 32.2-156.6 -79.7 111.4 38.2 -1.3 4.4 35 57 A Q - 0 0 72 -2,-0.7 33,-3.1 34,-0.1 34,-0.3 -0.875 9.6-142.0-103.7 121.0 37.2 -4.9 4.1 36 58 A P B -F 67 0B 9 0, 0.0 31,-0.3 0, 0.0 3,-0.2 -0.474 18.2-131.1 -71.9 148.8 36.7 -7.3 7.0 37 59 A A S S+ 0 0 55 29,-2.7 2,-0.5 1,-0.3 30,-0.1 0.882 107.1 36.1 -62.4 -38.2 37.8 -11.0 6.5 38 60 A K S S- 0 0 107 28,-0.4 -1,-0.3 3,-0.0 3,-0.0 -0.968 94.7-132.6-117.7 114.2 34.3 -11.8 7.9 39 61 A K - 0 0 88 -2,-0.5 2,-0.6 -3,-0.2 5,-0.1 -0.265 30.7-101.7 -62.8 147.7 31.5 -9.4 6.8 40 62 A Y - 0 0 20 4,-0.1 -1,-0.1 3,-0.0 2,-0.1 -0.666 39.1-154.8 -77.2 120.2 29.2 -8.2 9.6 41 63 A T > - 0 0 66 -2,-0.6 4,-1.6 1,-0.1 5,-0.1 -0.327 33.4-100.2 -81.1 171.2 25.9 -10.1 9.6 42 64 A A T 4 S+ 0 0 89 1,-0.2 3,-0.3 2,-0.2 4,-0.2 0.912 127.8 50.7 -57.2 -42.4 22.6 -8.8 11.0 43 65 A A T >4 S+ 0 0 68 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.901 107.8 52.5 -64.7 -38.7 23.2 -10.9 14.1 44 66 A D T 34 S+ 0 0 16 1,-0.3 10,-2.3 8,-0.2 11,-0.3 0.799 109.4 50.3 -62.9 -32.9 26.8 -9.5 14.4 45 67 A L T 3< S+ 0 0 41 -4,-1.6 2,-1.2 -3,-0.3 -1,-0.3 0.334 75.6 123.4 -89.6 6.2 25.3 -6.0 14.3 46 68 A D X - 0 0 67 -3,-1.4 3,-0.8 1,-0.2 6,-0.3 -0.543 38.5-176.0 -72.7 94.8 22.6 -6.7 17.0 47 69 A W T 3 S+ 0 0 160 -2,-1.2 -1,-0.2 1,-0.2 -4,-0.0 0.742 77.7 60.4 -64.8 -25.8 23.6 -3.9 19.5 48 70 A H T 3 S+ 0 0 142 -3,-0.1 2,-0.7 1,-0.1 -1,-0.2 0.804 88.7 78.7 -76.1 -26.1 21.0 -5.2 22.0 49 71 A D X - 0 0 73 -3,-0.8 3,-2.0 1,-0.2 6,-0.3 -0.738 66.2-157.9 -89.1 113.0 22.6 -8.6 22.4 50 72 A K T 3 S+ 0 0 194 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.0 0.694 94.2 55.2 -60.6 -17.8 25.7 -8.4 24.7 51 73 A A T 3 S+ 0 0 76 4,-0.1 -1,-0.3 5,-0.1 -2,-0.0 0.431 81.8 114.6 -94.2 -2.5 27.0 -11.6 23.0 52 74 A S S <> S- 0 0 7 -3,-2.0 4,-2.6 -6,-0.3 5,-0.2 -0.317 80.6-111.6 -67.5 155.3 26.9 -10.3 19.4 53 75 A R H > S+ 0 0 44 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.909 118.9 48.1 -52.8 -47.1 30.2 -9.9 17.6 54 76 A S H > S+ 0 0 6 -10,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.882 110.7 51.4 -65.5 -36.6 29.9 -6.1 17.6 55 77 A S H > S+ 0 0 18 -6,-0.3 4,-1.2 -11,-0.3 -2,-0.2 0.934 113.3 44.7 -65.0 -42.2 29.0 -6.1 21.3 56 78 A V H X S+ 0 0 77 -4,-2.6 4,-0.7 2,-0.2 3,-0.4 0.931 115.0 47.4 -66.1 -46.5 32.1 -8.2 22.2 57 79 A E H >< S+ 0 0 19 -4,-2.8 3,-1.1 1,-0.2 6,-0.4 0.925 112.0 49.5 -63.2 -41.5 34.4 -6.3 19.9 58 80 A X H 3< S+ 0 0 15 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.728 106.7 56.3 -73.8 -17.7 33.3 -2.9 21.3 59 81 A S H 3< S+ 0 0 100 -4,-1.2 2,-0.6 -3,-0.4 -1,-0.3 0.625 102.9 64.0 -83.6 -12.2 33.7 -4.1 24.9 60 82 A D X< - 0 0 76 -3,-1.1 3,-1.9 -4,-0.7 -1,-0.2 -0.900 61.5-168.1-118.8 104.5 37.4 -5.0 24.1 61 83 A S T 3 S+ 0 0 67 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.663 91.9 55.4 -62.8 -16.1 39.8 -2.0 23.2 62 84 A K T 3 S+ 0 0 159 2,-0.0 -1,-0.3 -5,-0.0 2,-0.1 0.441 78.1 119.7 -96.1 -4.0 42.4 -4.6 22.1 63 85 A S < - 0 0 26 -3,-1.9 33,-0.1 -6,-0.4 34,-0.1 -0.422 39.3-175.4 -64.6 134.7 40.1 -6.4 19.6 64 86 A R - 0 0 74 -2,-0.1 30,-0.1 32,-0.1 3,-0.1 -0.738 14.1-150.5-134.3 84.9 41.4 -6.3 16.0 65 87 A P - 0 0 10 0, 0.0 32,-0.1 0, 0.0 -2,-0.0 -0.313 31.6-109.4 -54.8 132.8 39.1 -7.8 13.4 66 88 A A - 0 0 64 1,-0.1 -29,-2.7 -30,-0.1 -28,-0.4 -0.314 27.4-121.3 -67.0 150.2 41.2 -9.2 10.6 67 89 A L B -F 36 0B 28 -31,-0.3 -1,-0.1 -30,-0.1 3,-0.0 -0.619 15.9-123.4 -86.7 154.8 41.1 -7.5 7.1 68 90 A Y S S+ 0 0 164 -33,-3.1 2,-0.3 -2,-0.2 -1,-0.1 0.858 93.2 11.3 -65.1 -36.7 40.1 -9.4 3.9 69 91 A S S S- 0 0 73 -34,-0.3 -34,-0.1 3,-0.0 -1,-0.1 -0.952 90.1 -91.4-140.1 157.5 43.4 -8.7 2.2 70 92 A K - 0 0 198 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.361 53.1-102.2 -66.6 150.4 46.8 -7.3 3.2 71 93 A L - 0 0 22 30,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.536 33.1-136.2 -73.8 138.1 47.1 -3.5 2.7 72 94 A G - 0 0 58 -2,-0.2 2,-0.1 1,-0.2 -1,-0.1 -0.157 46.4 -57.2 -79.2-174.6 48.9 -2.3 -0.3 73 95 A S - 0 0 86 1,-0.1 -1,-0.2 29,-0.1 3,-0.2 -0.418 37.4-169.7 -69.2 141.2 51.4 0.6 -0.2 74 96 A L > + 0 0 15 1,-0.1 3,-1.9 -2,-0.1 -1,-0.1 0.326 59.3 107.8-108.5 3.9 50.2 4.0 1.1 75 97 A A T 3 S+ 0 0 77 1,-0.3 -72,-0.3 -73,-0.1 -1,-0.1 0.796 70.5 60.3 -51.7 -37.9 53.4 5.8 -0.1 76 98 A E T 3 S+ 0 0 67 -3,-0.2 -72,-2.6 -74,-0.1 2,-0.4 0.620 94.8 79.8 -69.7 -13.9 51.6 7.7 -3.0 77 99 A Y E < +a 4 0A 21 -3,-1.9 -72,-0.2 -74,-0.2 3,-0.1 -0.813 41.3 172.7-102.3 139.0 49.2 9.4 -0.5 78 100 A D E S+ 0 0 75 -74,-2.2 30,-2.6 -2,-0.4 2,-0.4 0.510 79.9 45.6-107.8 -12.0 49.9 12.5 1.6 79 101 A T E -ac 5 108A 28 -75,-1.4 -73,-2.5 28,-0.2 2,-0.4 -0.998 63.7-177.3-135.8 129.0 46.2 12.7 2.8 80 102 A I E -ac 6 109A 0 28,-2.9 30,-2.3 -2,-0.4 2,-0.4 -0.980 10.2-160.6-131.3 119.4 44.0 9.9 4.0 81 103 A Y E -ac 7 110A 28 -75,-3.0 -73,-2.9 -2,-0.4 2,-0.5 -0.790 10.3-161.9 -90.3 138.7 40.4 10.3 5.0 82 104 A I E -ac 8 111A 1 28,-2.4 30,-2.4 -2,-0.4 2,-0.3 -0.975 9.4-170.6-126.0 114.4 39.1 7.4 7.2 83 105 A G E +ac 9 112A 0 -75,-2.6 -73,-2.5 -2,-0.5 30,-0.2 -0.822 13.5 150.8-108.2 148.7 35.3 7.0 7.4 84 106 A F E - c 0 113A 0 28,-1.6 30,-1.3 -2,-0.3 2,-0.2 -0.989 44.4 -99.7-161.8 157.9 33.3 4.8 9.7 85 107 A P E - c 0 114A 16 0, 0.0 2,-0.5 0, 0.0 30,-0.2 -0.550 47.0-109.1 -73.2 151.6 29.9 4.3 11.4 86 108 A I - 0 0 20 28,-2.4 2,-0.5 -2,-0.2 30,-0.3 -0.746 35.6-170.6 -81.1 126.4 30.0 5.3 15.1 87 109 A W B > S-G 90 0C 34 3,-2.8 3,-1.5 -2,-0.5 28,-0.0 -0.973 72.5 -23.3-117.5 116.5 29.6 2.1 17.2 88 110 A W T 3 S- 0 0 146 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.909 125.1 -53.5 48.0 48.4 29.1 2.7 20.9 89 111 A N T 3 S+ 0 0 67 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.644 124.4 87.8 66.9 18.3 30.6 6.2 20.7 90 112 A L B < S-G 87 0C 29 -3,-1.5 -3,-2.8 32,-0.1 -1,-0.2 -0.896 86.9 -92.1-137.6 168.3 33.8 4.8 19.1 91 113 A A - 0 0 5 -2,-0.3 -5,-0.1 32,-0.3 5,-0.1 -0.618 56.8 -99.0 -74.2 139.4 35.3 3.8 15.8 92 114 A P >> - 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-0.6 -0.270 36.5-111.7 -53.1 147.2 34.6 0.1 15.0 93 115 A R H >> S+ 0 0 22 1,-0.3 4,-1.9 2,-0.2 3,-0.5 0.740 112.9 72.4 -61.3 -23.2 37.7 -2.0 15.9 94 116 A I H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.782 90.1 62.5 -62.3 -23.5 38.4 -2.8 12.2 95 117 A I H <> S+ 0 0 0 -3,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.918 102.8 48.8 -67.2 -37.7 39.5 0.9 12.0 96 118 A N H < S+ 0 0 1 -4,-2.5 3,-1.7 1,-0.2 4,-0.3 0.937 112.6 45.4 -58.9 -52.7 43.5 -0.8 9.3 99 121 A I H >< S+ 0 0 8 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.869 113.7 51.1 -60.7 -36.7 45.6 2.0 11.0 100 122 A E T 3< S+ 0 0 94 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.425 103.7 61.2 -81.5 2.2 47.9 -0.7 12.5 101 123 A S T < S+ 0 0 59 -3,-1.7 -30,-0.3 -4,-0.2 2,-0.3 0.351 105.5 39.4-111.1 5.7 48.3 -2.4 9.1 102 124 A G S < S- 0 0 30 -3,-0.9 2,-0.8 -4,-0.3 -29,-0.1 -0.903 84.7 -99.3-145.6 171.4 50.0 0.4 7.2 103 125 A D + 0 0 119 -2,-0.3 -29,-0.1 1,-0.1 -3,-0.1 -0.875 34.3 173.3 -99.5 104.4 52.5 3.2 7.5 104 126 A F > + 0 0 10 -2,-0.8 3,-1.1 -5,-0.2 31,-0.4 0.294 32.8 131.9 -95.5 11.2 50.6 6.5 8.1 105 127 A A T 3 S+ 0 0 64 1,-0.2 29,-0.1 29,-0.1 3,-0.1 -0.321 70.9 17.3 -67.2 141.0 53.8 8.6 8.8 106 128 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.722 105.4 112.6 71.4 22.1 54.1 11.9 7.0 107 129 A K < - 0 0 17 -3,-1.1 28,-1.1 -28,-0.0 2,-0.5 -0.970 67.0-128.3-129.0 145.7 50.4 12.0 6.2 108 130 A T E -cd 79 135A 57 -30,-2.6 -28,-2.9 -2,-0.4 2,-0.5 -0.778 28.8-162.0 -88.5 128.8 47.4 14.0 7.2 109 131 A V E -cd 80 136A 0 26,-1.9 28,-2.9 -2,-0.5 -28,-0.2 -0.978 7.3-171.9-121.0 125.4 44.7 11.7 8.5 110 132 A I E -c 81 0A 21 -30,-2.3 -28,-2.4 -2,-0.5 2,-0.3 -0.960 10.3-150.3-123.1 112.1 41.1 13.0 8.7 111 133 A P E +c 82 0A 0 0, 0.0 29,-1.5 0, 0.0 2,-0.3 -0.593 17.1 176.9 -81.9 143.3 38.3 10.9 10.3 112 134 A F E +ce 83 140A 0 -30,-2.4 -28,-1.6 -2,-0.3 2,-0.3 -0.959 6.2 178.3-137.8 158.1 34.7 11.2 9.2 113 135 A A E -ce 84 141A 0 27,-1.8 29,-3.3 -2,-0.3 2,-0.3 -0.953 25.1-140.0-151.7 167.4 31.6 9.3 10.4 114 136 A T E +c 85 0A 8 -30,-1.3 -28,-2.4 -2,-0.3 2,-0.3 -0.942 30.0 168.8-127.2 153.4 27.9 8.6 10.3 115 137 A S - 0 0 21 -2,-0.3 -28,-0.1 -30,-0.2 5,-0.0 -0.978 49.6-110.2-154.7 167.8 25.8 7.8 13.3 116 138 A G S S- 0 0 89 -2,-0.3 -1,-0.1 -30,-0.3 27,-0.0 0.909 101.2 -48.2 -66.7 -41.9 22.2 7.5 14.6 117 139 A S S S+ 0 0 105 -3,-0.1 26,-0.1 2,-0.1 -2,-0.0 0.344 101.8 118.3-164.4 -23.6 22.8 10.7 16.6 118 140 A S - 0 0 53 -32,-0.1 -32,-0.1 1,-0.1 2,-0.1 -0.207 61.3-117.0 -62.7 149.8 26.1 10.6 18.5 119 141 A S - 0 0 60 1,-0.1 4,-0.3 22,-0.0 3,-0.3 -0.317 16.6-123.4 -73.4 165.5 28.8 13.1 17.8 120 142 A I S > S+ 0 0 12 1,-0.2 4,-3.0 2,-0.1 5,-0.3 0.515 85.6 101.4 -85.2 -7.2 32.3 12.1 16.4 121 143 A S H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 83.1 38.7 -50.7 -53.6 34.1 13.7 19.3 122 144 A N H > S+ 0 0 59 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.920 117.1 49.8 -66.3 -44.1 34.8 10.7 21.5 123 145 A A H > S+ 0 0 1 -4,-0.3 4,-2.0 1,-0.2 -32,-0.3 0.946 114.9 44.9 -58.8 -46.2 35.6 8.4 18.5 124 146 A E H X S+ 0 0 23 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.910 112.4 50.9 -63.1 -46.8 38.0 10.9 17.1 125 147 A K H X S+ 0 0 114 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.916 109.2 51.2 -61.0 -41.3 39.6 11.7 20.5 126 148 A E H X S+ 0 0 103 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.917 110.8 49.0 -63.4 -38.6 40.3 8.0 21.2 127 149 A L H X S+ 0 0 5 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.925 112.4 47.7 -64.9 -44.3 41.9 7.6 17.7 128 150 A Q H < S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.896 113.9 47.4 -60.0 -43.1 44.1 10.7 18.3 129 151 A T H < S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 114.5 45.6 -68.7 -37.0 45.1 9.4 21.8 130 152 A N H < S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.787 122.6 36.1 -78.1 -24.9 45.9 5.8 20.6 131 153 A Y >< + 0 0 27 -4,-1.9 3,-1.6 -5,-0.2 -1,-0.2 -0.599 65.3 158.7-127.4 69.1 47.9 7.0 17.5 132 154 A P T 3 + 0 0 112 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.569 68.5 67.6 -73.9 -6.9 49.8 10.2 18.6 133 155 A G T 3 S+ 0 0 67 -3,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.509 83.3 91.0 -84.6 -10.7 52.3 9.8 15.8 134 156 A I S < S- 0 0 22 -3,-1.6 2,-1.8 -6,-0.2 -26,-0.1 -0.672 83.5-121.7 -91.0 145.2 49.7 10.6 13.1 135 157 A N E -d 108 0A 90 -28,-1.1 -26,-1.9 -31,-0.4 2,-0.2 -0.590 38.5-158.9 -83.1 80.4 49.1 14.1 11.9 136 158 A W E -d 109 0A 46 -2,-1.8 2,-0.3 -28,-0.2 -26,-0.2 -0.441 5.9-157.4 -67.1 130.7 45.4 14.2 12.7 137 159 A G - 0 0 19 -28,-2.9 2,-0.0 -2,-0.2 -1,-0.0 -0.739 40.4 -80.2-100.2 152.2 43.2 16.7 10.9 138 160 A K - 0 0 188 -2,-0.3 -1,-0.1 -28,-0.1 2,-0.0 -0.303 53.9-140.1 -57.2 128.9 39.8 17.8 12.4 139 161 A G - 0 0 8 -29,-0.1 2,-0.3 -18,-0.1 -27,-0.2 -0.181 11.4-147.0 -86.2 177.2 37.1 15.2 11.8 140 162 A R E -e 112 0A 101 -29,-1.5 -27,-1.8 -20,-0.1 2,-0.5 -0.982 14.6-134.1-152.1 138.7 33.5 15.5 10.8 141 163 A L E -e 113 0A 42 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.784 22.0-167.2 -88.3 128.2 30.2 13.8 11.4 142 164 A L > + 0 0 3 -29,-3.3 3,-0.8 -2,-0.5 2,-0.2 -0.611 17.2 165.7-120.4 66.2 28.4 13.5 8.0 143 165 A N T 3 S+ 0 0 63 -2,-0.3 3,-0.1 1,-0.2 -27,-0.1 -0.587 72.3 13.8 -82.2 144.6 24.8 12.5 8.8 144 166 A G T 3 S- 0 0 74 -2,-0.2 -1,-0.2 1,-0.2 5,-0.2 0.861 96.6-158.4 55.9 39.1 22.3 12.9 6.0 145 167 A A < + 0 0 33 -3,-0.8 2,-0.3 -130,-0.1 -1,-0.2 -0.224 20.4 167.7 -55.4 130.2 25.3 13.3 3.7 146 168 A S > - 0 0 47 -3,-0.1 4,-2.5 1,-0.1 5,-0.3 -0.893 52.5-101.3-135.9 166.5 24.7 15.1 0.4 147 169 A R H > S+ 0 0 72 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.909 124.8 48.8 -55.6 -39.2 26.8 16.6 -2.4 148 170 A E H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 110.6 46.3 -70.1 -45.4 26.0 20.0 -0.8 149 171 A T H > S+ 0 0 49 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.894 118.5 43.8 -64.8 -36.1 26.9 19.1 2.9 150 172 A V H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.924 110.7 54.1 -74.2 -41.5 30.1 17.4 1.7 151 173 A K H X S+ 0 0 118 -4,-2.7 4,-3.1 -5,-0.3 5,-0.2 0.911 110.2 48.9 -54.6 -45.6 31.0 20.3 -0.7 152 174 A Q H X S+ 0 0 110 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.859 110.5 49.5 -63.6 -41.9 30.7 22.8 2.2 153 175 A W H < S+ 0 0 17 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.924 117.8 39.9 -64.4 -45.1 32.9 20.6 4.5 154 176 A I H < S+ 0 0 41 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.881 116.2 48.5 -73.4 -40.8 35.6 20.3 1.9 155 177 A K H < 0 0 117 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.830 360.0 360.0 -71.4 -30.6 35.5 23.9 0.5 156 178 A K < 0 0 193 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.287 360.0 360.0 51.8 360.0 35.5 25.4 4.1