==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 18-DEC-96 1FLA . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BEIJERINCKII; . AUTHOR M.L.LUDWIG,K.A.PATTRIDGE,A.L.METZGER,M.M.DIXON,M.EREN, . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.7 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 . 8 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 1 0 0 0 1 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 0 0 PARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 45 0, 0.0 30,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 167.9 18.3 40.3 16.3 2 2 A K E -ab 31 49A 45 46,-0.5 48,-1.1 28,-0.2 2,-0.5 -0.991 360.0-165.5-132.8 138.2 21.0 38.2 14.7 3 3 A I E -ab 32 50A 0 28,-2.7 30,-3.6 -2,-0.4 2,-0.4 -0.989 12.6-171.3-120.9 118.4 21.5 34.4 14.5 4 4 A V E +ab 33 51A 0 46,-2.7 48,-2.2 -2,-0.5 2,-0.3 -0.947 17.0 159.6-113.2 132.3 25.0 33.3 13.5 5 5 A Y E -ab 34 52A 15 28,-2.0 30,-3.2 -2,-0.4 2,-0.4 -0.947 36.0-142.0-149.2 164.3 25.7 29.6 12.7 6 6 A W E + b 0 53A 38 46,-1.6 48,-0.6 -2,-0.3 2,-0.3 -0.992 24.9 176.2-124.6 136.9 27.8 27.0 11.0 7 7 A S - 0 0 20 -2,-0.4 -2,-0.0 46,-0.1 46,-0.0 -0.964 18.9-172.4-144.5 129.4 26.2 24.0 9.3 8 8 A G S S+ 0 0 48 -2,-0.3 -1,-0.1 1,-0.1 45,-0.0 0.813 92.3 10.9 -88.6 -36.0 27.9 21.2 7.3 9 9 A T S S- 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.413 112.3 -95.9-121.1 -6.0 24.8 19.4 5.8 10 10 A G S > S+ 0 0 19 110,-0.0 4,-1.7 4,-0.0 5,-0.1 0.436 91.6 113.0 107.0 1.9 22.1 21.9 6.7 11 11 A N H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.948 86.2 38.7 -72.3 -46.7 20.7 20.5 9.9 12 12 A T H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.825 113.8 57.8 -70.8 -30.4 21.8 23.4 12.1 13 13 A E H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 106.4 48.7 -65.2 -41.3 20.9 25.8 9.3 14 14 A K H X S+ 0 0 58 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.899 109.7 51.7 -65.8 -40.8 17.3 24.5 9.4 15 15 A M H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.928 107.8 53.4 -61.3 -42.7 17.3 24.9 13.2 16 16 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.890 107.7 49.9 -58.6 -44.1 18.4 28.5 12.7 17 17 A E H X S+ 0 0 96 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.885 112.3 47.6 -61.9 -40.2 15.6 29.2 10.2 18 18 A L H X S+ 0 0 10 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.853 110.8 50.1 -70.1 -40.0 13.0 27.8 12.7 19 19 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.930 111.6 50.2 -63.3 -42.1 14.4 29.8 15.6 20 20 A A H X S+ 0 0 8 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.925 106.8 54.4 -60.1 -47.0 14.2 32.9 13.4 21 21 A K H X S+ 0 0 98 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.898 107.0 52.0 -55.2 -40.2 10.6 32.0 12.5 22 22 A G H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.915 110.5 46.6 -63.8 -43.2 9.8 31.9 16.2 23 23 A I H <>S+ 0 0 0 -4,-2.0 5,-1.9 2,-0.2 3,-0.3 0.922 114.2 48.1 -64.5 -43.4 11.3 35.4 16.8 24 24 A I H ><5S+ 0 0 89 -4,-2.8 3,-2.4 1,-0.2 -2,-0.2 0.911 107.2 55.2 -64.2 -41.3 9.5 36.8 13.8 25 25 A E H 3<5S+ 0 0 91 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.771 100.9 60.6 -62.6 -26.5 6.2 35.2 15.0 26 26 A S T 3<5S- 0 0 45 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.466 128.4-101.2 -77.6 -4.5 6.8 37.1 18.2 27 27 A G T < 5S+ 0 0 70 -3,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.450 85.5 113.3 99.9 3.6 6.7 40.3 16.2 28 28 A K < - 0 0 99 -5,-1.9 -1,-0.3 1,-0.0 2,-0.3 -0.625 61.5-121.4-107.9 160.9 10.4 41.0 16.0 29 29 A D + 0 0 113 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.0 -0.693 31.6 173.6 -96.8 156.9 12.8 41.0 13.1 30 30 A V - 0 0 10 -2,-0.3 2,-0.4 2,-0.0 -28,-0.2 -0.975 20.1-146.1-160.7 145.4 15.9 38.8 12.9 31 31 A N E -a 2 0A 80 -30,-2.2 -28,-2.7 -2,-0.3 2,-0.5 -0.946 10.5-145.7-118.4 138.8 18.7 38.0 10.4 32 32 A T E -a 3 0A 60 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.932 20.4-172.6-102.5 129.7 20.4 34.6 10.1 33 33 A I E -a 4 0A 35 -30,-3.6 -28,-2.0 -2,-0.5 2,-0.2 -0.985 23.6-129.9-128.4 126.8 24.0 34.9 9.1 34 34 A N E > -a 5 0A 39 -2,-0.4 3,-2.3 -30,-0.2 4,-0.3 -0.546 33.8-114.9 -69.7 140.9 26.3 32.0 8.2 35 35 A V G > S+ 0 0 8 -30,-3.2 3,-1.2 1,-0.3 -1,-0.1 0.798 113.2 60.7 -49.4 -32.8 29.5 32.3 10.3 36 36 A S G 3 S+ 0 0 64 -31,-0.2 -1,-0.3 1,-0.2 -30,-0.1 0.704 107.1 44.3 -71.6 -18.1 31.6 33.0 7.2 37 37 A D G < S+ 0 0 126 -3,-2.3 -1,-0.2 2,-0.0 -2,-0.2 0.244 88.4 121.3-106.9 8.5 29.7 36.1 6.2 38 38 A V < - 0 0 30 -3,-1.2 2,-0.6 -4,-0.3 3,-0.1 -0.431 53.6-146.3 -79.5 147.0 29.5 37.6 9.7 39 39 A N > - 0 0 69 1,-0.2 4,-2.4 -2,-0.1 5,-0.2 -0.964 7.0-155.8-112.0 109.2 30.9 41.1 10.7 40 40 A I H > S+ 0 0 20 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.874 90.7 55.1 -51.1 -42.4 32.2 40.9 14.3 41 41 A D H 4 S+ 0 0 120 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.934 111.0 41.0 -62.1 -47.9 31.7 44.6 14.7 42 42 A E H >4 S+ 0 0 129 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.896 113.6 56.0 -67.8 -36.6 28.1 44.8 13.8 43 43 A L H >< S+ 0 0 4 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.891 97.8 62.2 -61.9 -40.2 27.4 41.5 15.7 44 44 A L T 3< S+ 0 0 30 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.519 91.5 66.7 -67.7 -5.5 28.8 43.0 18.9 45 45 A N T < S+ 0 0 141 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.619 80.1 104.0 -87.7 -14.4 26.1 45.7 19.0 46 46 A E < - 0 0 43 -3,-1.8 3,-0.1 -4,-0.3 -3,-0.0 -0.336 67.8-143.8 -68.3 146.9 23.4 43.1 19.6 47 47 A D S S+ 0 0 104 1,-0.2 34,-1.3 33,-0.1 2,-0.4 0.847 91.1 32.8 -78.0 -34.6 21.9 42.7 23.1 48 48 A I E S- c 0 81A 4 32,-0.1 2,-0.6 2,-0.0 -46,-0.5 -0.986 71.2-152.7-127.4 127.1 21.7 38.9 22.6 49 49 A L E -bc 2 82A 0 32,-2.9 34,-2.4 -2,-0.4 2,-0.7 -0.866 9.1-163.5 -97.6 124.0 24.0 36.7 20.6 50 50 A I E -bc 3 83A 1 -48,-1.1 -46,-2.7 -2,-0.6 2,-0.4 -0.938 17.1-179.3-110.2 111.8 22.3 33.6 19.2 51 51 A L E -bc 4 84A 0 32,-2.5 34,-1.9 -2,-0.7 2,-0.4 -0.939 8.7-179.4-120.8 136.1 24.9 31.1 18.1 52 52 A G E +bc 5 85A 0 -48,-2.2 -46,-1.6 -2,-0.4 2,-0.3 -0.975 10.3 154.5-135.9 145.0 24.7 27.6 16.6 53 53 A C E -b 6 0A 0 32,-1.8 -46,-0.1 -2,-0.4 3,-0.1 -0.909 35.2-120.3-164.1 135.9 27.1 24.9 15.4 54 54 A S - 0 0 18 -48,-0.6 8,-0.4 -2,-0.3 2,-0.3 -0.285 44.5 -86.5 -73.6 161.8 26.8 21.1 15.0 55 55 A A - 0 0 27 32,-1.7 2,-0.3 6,-0.1 6,-0.2 -0.567 56.4-170.2 -70.5 128.8 29.0 18.7 16.9 56 56 A M B > -F 60 0B 57 4,-2.7 4,-2.4 -2,-0.3 -1,-0.0 -0.854 41.4 -19.5-125.6 160.7 32.2 18.1 14.9 57 57 A D T 4 S- 0 0 97 -2,-0.3 2,-0.7 1,-0.2 5,-0.1 -0.205 131.3 -9.3 47.0-115.7 35.2 15.9 14.9 58 58 A D T 4 S- 0 0 135 3,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.735 126.8 -54.2-113.7 83.7 35.3 14.4 18.3 59 59 A E T 4 S+ 0 0 34 -2,-0.7 2,-0.3 1,-0.2 -2,-0.2 0.869 105.6 115.4 52.6 50.9 32.7 16.4 20.3 60 60 A V B < S-F 56 0B 52 -4,-2.4 -4,-2.7 38,-0.0 -1,-0.2 -0.832 71.4 -85.3-135.2 173.4 34.1 19.9 19.5 61 61 A L - 0 0 7 -2,-0.3 -3,-0.1 -6,-0.2 -6,-0.1 -0.455 65.4 -78.5 -76.4 154.4 33.0 23.0 17.6 62 62 A E > - 0 0 16 -8,-0.4 5,-2.8 1,-0.1 -1,-0.1 -0.326 47.5-147.7 -56.7 131.5 33.7 23.1 13.9 63 63 A E T 5S+ 0 0 116 3,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.839 79.7 49.7 -77.0 -38.1 37.4 23.9 13.5 64 64 A S T 5S+ 0 0 92 3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.802 129.9 1.0 -78.1 -27.2 38.1 26.0 10.4 65 65 A E T >5S+ 0 0 75 3,-0.1 4,-1.3 4,-0.0 -2,-0.1 0.726 126.6 46.0-126.3 -50.8 35.4 28.6 10.8 66 66 A F H >5S+ 0 0 0 2,-0.2 4,-2.1 1,-0.1 5,-0.2 0.943 110.5 50.0 -68.7 -50.9 33.3 28.5 13.9 67 67 A E H > S+ 0 0 62 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.875 109.9 54.0 -56.3 -38.4 38.2 30.8 15.3 69 69 A F H X S+ 0 0 10 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.916 108.6 48.2 -61.5 -42.7 35.1 33.1 15.3 70 70 A I H X S+ 0 0 0 -4,-2.1 4,-1.3 -3,-0.2 -1,-0.2 0.897 111.6 50.4 -64.9 -40.9 34.4 32.2 19.0 71 71 A E H < S+ 0 0 100 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.898 108.7 53.0 -64.0 -40.7 38.0 32.8 19.9 72 72 A E H < S+ 0 0 110 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.914 115.7 37.0 -64.3 -43.0 37.9 36.2 18.1 73 73 A I H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 4,-0.3 0.628 92.7 95.0 -83.4 -11.4 34.8 37.5 20.0 74 74 A S G >< S+ 0 0 20 -4,-1.3 3,-0.6 1,-0.3 -1,-0.2 0.768 84.8 45.4 -49.6 -40.3 35.7 35.9 23.3 75 75 A T G 3 S+ 0 0 119 -4,-0.4 -1,-0.3 -3,-0.4 3,-0.2 0.559 114.7 49.6 -83.8 -7.0 37.5 38.9 24.9 76 76 A K G < S+ 0 0 99 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.215 95.3 68.5-116.9 15.6 34.7 41.3 23.8 77 77 A I X + 0 0 0 -3,-0.6 3,-2.2 -4,-0.3 -1,-0.1 0.291 56.6 140.2-120.8 12.9 31.5 39.6 25.0 78 78 A S T 3 S+ 0 0 94 1,-0.3 30,-0.2 -3,-0.2 29,-0.2 -0.291 78.2 14.1 -57.7 134.6 31.7 39.8 28.8 79 79 A G T 3 S+ 0 0 57 28,-2.5 -1,-0.3 1,-0.3 29,-0.2 0.364 97.5 131.3 81.4 -7.0 28.3 40.5 30.3 80 80 A K < - 0 0 53 -3,-2.2 29,-2.8 1,-0.1 2,-0.3 -0.482 59.4-118.5 -82.1 150.5 26.5 39.7 27.0 81 81 A K E -cd 48 109A 67 -34,-1.3 -32,-2.9 27,-0.2 2,-0.3 -0.688 35.1-176.2 -86.1 138.0 23.4 37.5 26.7 82 82 A V E -cd 49 110A 0 27,-2.3 29,-1.5 -2,-0.3 30,-0.5 -0.995 18.3-163.5-138.7 144.4 23.8 34.4 24.6 83 83 A A E -c 50 0A 0 -34,-2.4 -32,-2.5 -2,-0.3 2,-0.4 -0.995 19.1-156.1-124.8 133.4 21.6 31.6 23.4 84 84 A L E +c 51 0A 0 -2,-0.4 31,-2.1 28,-0.3 2,-0.3 -0.888 18.5 158.5-118.2 147.1 23.2 28.4 22.0 85 85 A F E +ce 52 115A 0 -34,-1.9 -32,-1.8 -2,-0.4 2,-0.3 -0.956 0.7 147.0-155.7 166.9 21.9 25.7 19.7 86 86 A G E - e 0 116A 0 29,-1.9 31,-1.7 -2,-0.3 2,-0.3 -0.865 36.9-105.0 167.3 160.1 23.0 23.0 17.3 87 87 A S E - e 0 117A 4 -2,-0.3 -32,-1.7 29,-0.2 2,-0.3 -0.667 32.8-176.8 -98.2 155.4 22.4 19.6 15.7 88 88 A Y E - e 0 118A 47 29,-1.5 31,-3.0 -2,-0.3 -32,-0.0 -0.911 17.0-151.9-145.9 170.9 24.4 16.4 16.6 89 89 A G S S- 0 0 27 -2,-0.3 -1,-0.1 29,-0.2 29,-0.0 0.827 75.5 -5.5-116.1 -56.1 24.5 12.8 15.4 90 90 A W S S+ 0 0 222 28,-0.0 28,-0.0 29,-0.0 -2,-0.0 0.600 105.9 75.8-123.0 -16.5 25.6 10.1 17.8 91 91 A G S S- 0 0 25 1,-0.0 -3,-0.1 -36,-0.0 -36,-0.0 0.098 80.1-113.3 -81.9-161.8 26.7 11.6 21.1 92 92 A D S S- 0 0 112 26,-0.0 -1,-0.0 -4,-0.0 26,-0.0 -0.059 70.6 -71.7-126.3 28.0 24.6 13.0 23.9 93 93 A G S > S+ 0 0 2 3,-0.1 4,-2.0 4,-0.0 3,-0.4 0.637 80.3 142.1 95.7 17.6 25.6 16.7 23.7 94 94 A K H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.919 74.1 54.2 -57.2 -45.4 29.1 16.8 25.1 95 95 A W H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 111.1 47.1 -57.9 -34.7 30.2 19.4 22.6 96 96 A M H > S+ 0 0 6 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.845 106.6 54.9 -77.1 -35.5 27.4 21.7 23.8 97 97 A R H X S+ 0 0 122 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.939 113.9 44.0 -61.4 -42.6 28.0 21.2 27.5 98 98 A D H X S+ 0 0 56 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.901 111.4 52.6 -67.4 -42.4 31.6 22.4 26.8 99 99 A F H X S+ 0 0 1 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.935 111.7 46.7 -59.5 -46.5 30.4 25.2 24.5 100 100 A E H X S+ 0 0 67 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.921 112.3 49.3 -62.6 -45.3 28.0 26.5 27.3 101 101 A E H X S+ 0 0 138 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.909 111.6 51.0 -59.5 -42.3 30.8 26.2 29.9 102 102 A R H X S+ 0 0 62 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.940 109.5 47.4 -61.0 -51.1 33.1 28.1 27.6 103 103 A M H <>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-0.3 0.885 112.2 51.3 -60.9 -38.2 30.7 31.0 27.0 104 104 A N H ><5S+ 0 0 85 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.912 106.3 55.3 -62.4 -43.1 30.1 31.2 30.7 105 105 A G H 3<5S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.732 101.4 57.6 -62.3 -27.9 33.8 31.3 31.3 106 106 A Y T 3<5S- 0 0 62 -4,-1.3 -1,-0.3 -3,-0.3 -29,-0.2 0.364 127.0 -99.2 -82.7 1.6 34.1 34.3 29.0 107 107 A G T < 5S+ 0 0 32 -3,-1.8 -28,-2.5 1,-0.3 -3,-0.2 0.503 76.7 140.7 95.9 3.7 31.7 36.2 31.2 108 108 A C < - 0 0 6 -5,-2.1 2,-0.6 -30,-0.2 -1,-0.3 -0.357 50.5-130.4 -76.9 160.8 28.5 35.7 29.1 109 109 A V E -d 81 0A 71 -29,-2.8 -27,-2.3 -2,-0.1 2,-1.0 -0.966 15.5-145.5-114.5 110.9 25.1 35.0 30.6 110 110 A V E -d 82 0A 24 -2,-0.6 -27,-0.2 -29,-0.2 -29,-0.1 -0.752 13.1-163.0 -79.1 103.9 23.5 32.0 28.9 111 111 A V + 0 0 34 -29,-1.5 2,-0.3 -2,-1.0 -1,-0.1 0.681 62.8 13.0 -64.4 -27.6 19.9 32.9 28.9 112 112 A E S S- 0 0 67 -30,-0.5 -28,-0.3 -28,-0.0 3,-0.1 -0.948 93.1 -79.5-145.5 165.5 18.2 29.6 28.2 113 113 A T - 0 0 114 -2,-0.3 -2,-0.0 1,-0.1 2,-0.0 -0.417 63.6 -97.3 -65.0 137.1 19.2 25.9 28.2 114 114 A P - 0 0 19 0, 0.0 2,-0.7 0, 0.0 -29,-0.2 -0.355 33.3-129.3 -59.6 138.8 21.0 25.2 24.9 115 115 A L E +e 85 0A 26 -31,-2.1 -29,-1.9 -3,-0.1 2,-0.4 -0.809 32.1 175.3 -92.5 114.2 18.7 23.7 22.2 116 116 A I E -e 86 0A 53 -2,-0.7 2,-0.4 -31,-0.2 -29,-0.2 -0.979 5.6-175.1-121.4 134.1 20.3 20.5 20.7 117 117 A V E -e 87 0A 9 -31,-1.7 -29,-1.5 -2,-0.4 2,-0.5 -0.981 26.6-119.1-128.3 140.0 18.4 18.4 18.2 118 118 A Q E S-e 88 0A 100 -2,-0.4 -29,-0.2 -31,-0.2 6,-0.1 -0.678 72.6 -37.4 -83.7 126.6 19.6 15.1 16.7 119 119 A N S S+ 0 0 84 -31,-3.0 -31,-0.2 -2,-0.5 -2,-0.1 -0.206 122.2 0.1 58.4-149.3 20.0 15.0 13.0 120 120 A E S S- 0 0 108 1,-0.1 3,-0.3 -33,-0.1 4,-0.2 -0.431 76.3-120.7 -69.6 144.3 17.4 17.1 11.0 121 121 A P > + 0 0 1 0, 0.0 3,-2.5 0, 0.0 2,-0.9 0.942 66.4 130.0 -47.1 -66.0 14.8 18.9 13.2 122 122 A D G > S+ 0 0 113 1,-0.3 3,-1.3 2,-0.2 4,-0.2 -0.242 81.9 28.1 48.2 -89.8 11.7 17.2 11.7 123 123 A E G 3 S+ 0 0 156 -2,-0.9 3,-0.4 -3,-0.3 -1,-0.3 0.777 123.5 54.2 -69.3 -26.4 9.9 16.1 14.9 124 124 A A G <> S+ 0 0 2 -3,-2.5 4,-1.7 -4,-0.2 -1,-0.3 0.192 71.5 113.5 -94.3 17.4 11.5 18.9 16.8 125 125 A E H <> S+ 0 0 76 -3,-1.3 4,-2.0 1,-0.2 3,-0.3 0.924 79.0 46.6 -56.2 -44.1 10.3 21.7 14.5 126 126 A Q H > S+ 0 0 101 -3,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.886 106.7 58.5 -67.2 -36.5 8.0 23.2 17.1 127 127 A D H > S+ 0 0 89 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.861 106.5 49.2 -59.2 -37.3 10.8 23.0 19.8 128 128 A C H X S+ 0 0 0 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.2 0.950 111.8 47.5 -66.9 -48.3 13.0 25.2 17.5 129 129 A I H X S+ 0 0 11 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.921 112.0 50.6 -57.1 -45.5 10.2 27.7 17.0 130 130 A E H X S+ 0 0 68 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.835 105.9 55.4 -63.4 -35.0 9.5 27.8 20.8 131 131 A F H X S+ 0 0 12 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.930 108.5 48.6 -62.6 -44.7 13.2 28.4 21.6 132 132 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.906 109.6 52.3 -61.5 -41.8 13.1 31.5 19.3 133 133 A K H X S+ 0 0 62 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.885 108.2 51.1 -63.4 -36.5 9.9 32.7 21.0 134 134 A K H >< S+ 0 0 98 -4,-2.1 3,-0.5 2,-0.2 -1,-0.2 0.919 110.0 49.7 -66.1 -42.1 11.6 32.3 24.4 135 135 A I H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.947 108.3 52.4 -62.0 -46.3 14.6 34.4 23.2 136 136 A A H 3< S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.717 103.2 61.2 -62.4 -20.1 12.3 37.1 21.8 137 137 A N T << 0 0 137 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.233 360.0 360.0 -91.8 12.6 10.7 37.2 25.3 138 138 A I < 0 0 98 -3,-1.9 -2,-0.2 -90,-0.0 -1,-0.2 0.869 360.0 360.0 -96.6 360.0 13.9 38.3 27.0