==== 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 12-DEC-96 1FVX . 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) . 6912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 69.6 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 . 15 10.9 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 30 0, 0.0 30,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 172.3 18.0 40.5 16.6 2 2 A K E -ab 31 49A 37 46,-0.5 48,-1.0 28,-0.2 2,-0.5 -0.996 360.0-160.5-137.0 142.1 20.6 38.3 14.9 3 3 A I E -ab 32 50A 0 28,-2.7 30,-3.9 -2,-0.4 2,-0.4 -0.985 11.4-170.3-122.5 120.8 21.2 34.6 14.6 4 4 A V E +ab 33 51A 1 46,-2.7 48,-2.3 -2,-0.5 2,-0.3 -0.945 18.2 156.6-112.5 133.9 24.8 33.5 13.7 5 5 A Y E -ab 34 52A 18 28,-1.8 30,-3.0 -2,-0.4 2,-0.4 -0.963 35.5-142.7-151.9 164.9 25.4 29.8 12.8 6 6 A W E + b 0 53A 35 46,-1.5 48,-0.6 -2,-0.3 2,-0.3 -0.985 23.9 178.0-127.1 138.1 27.7 27.3 11.0 7 7 A S - 0 0 21 -2,-0.4 -2,-0.0 46,-0.1 46,-0.0 -0.958 18.8-168.9-146.2 126.7 26.1 24.3 9.3 8 8 A G S S+ 0 0 48 -2,-0.3 -1,-0.1 1,-0.1 45,-0.0 0.777 92.1 9.1 -85.2 -32.7 27.8 21.6 7.3 9 9 A T S S- 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.353 113.2 -92.1-126.6 -2.3 24.8 19.8 5.7 10 10 A G S > S+ 0 0 20 110,-0.0 4,-2.2 4,-0.0 5,-0.2 0.363 92.8 111.8 109.1 -3.7 21.9 22.2 6.6 11 11 A N H > S+ 0 0 31 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.952 86.8 38.1 -68.2 -50.2 20.6 20.8 9.9 12 12 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.829 114.5 57.2 -68.2 -32.7 21.7 23.7 12.1 13 13 A E H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.922 106.3 49.3 -63.2 -43.5 20.8 26.1 9.2 14 14 A K H X S+ 0 0 59 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.901 110.1 51.2 -62.1 -42.6 17.2 24.7 9.3 15 15 A M H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.912 107.7 52.7 -59.8 -44.6 17.1 25.1 13.0 16 16 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.913 108.4 50.8 -57.3 -45.6 18.3 28.8 12.7 17 17 A E H X S+ 0 0 90 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.882 112.3 46.0 -59.0 -44.4 15.4 29.4 10.2 18 18 A L H X S+ 0 0 11 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.873 110.5 52.4 -69.2 -38.7 12.8 28.0 12.5 19 19 A I H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.903 110.4 49.5 -62.7 -40.3 14.2 29.9 15.5 20 20 A A H X S+ 0 0 9 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.915 105.8 56.3 -64.7 -42.7 13.9 33.0 13.4 21 21 A K H X S+ 0 0 105 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.898 106.6 50.8 -56.4 -41.1 10.3 32.2 12.5 22 22 A G H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.870 110.3 48.0 -65.8 -37.7 9.4 32.0 16.2 23 23 A I H <>S+ 0 0 0 -4,-1.6 5,-1.8 2,-0.2 3,-0.4 0.938 113.6 47.7 -68.4 -43.4 11.0 35.4 16.9 24 24 A I H ><5S+ 0 0 90 -4,-2.8 3,-2.8 1,-0.2 -2,-0.2 0.949 108.0 54.8 -63.3 -45.3 9.2 36.9 13.9 25 25 A E H 3<5S+ 0 0 100 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.782 102.1 59.2 -58.8 -28.3 5.9 35.3 15.0 26 26 A S T 3<5S- 0 0 55 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.489 128.5 -99.2 -78.9 -1.8 6.4 37.0 18.4 27 27 A G T < 5S+ 0 0 69 -3,-2.8 2,-0.2 1,-0.3 -3,-0.2 0.414 86.0 110.1 102.7 1.6 6.4 40.4 16.6 28 28 A K < - 0 0 92 -5,-1.8 -1,-0.3 1,-0.0 2,-0.3 -0.643 62.9-118.7-109.6 161.4 10.1 41.1 16.3 29 29 A D + 0 0 109 -2,-0.2 2,-0.3 2,-0.0 -1,-0.0 -0.694 32.4 175.6 -95.2 152.9 12.6 41.2 13.4 30 30 A V - 0 0 10 -2,-0.3 2,-0.4 2,-0.0 -28,-0.2 -0.985 18.3-150.6-156.4 146.1 15.6 39.0 13.1 31 31 A N E -a 2 0A 86 -30,-1.6 -28,-2.7 -2,-0.3 2,-0.5 -0.981 11.6-144.6-122.6 134.6 18.3 38.2 10.6 32 32 A T E -a 3 0A 61 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.891 20.9-172.0 -99.6 131.0 20.1 34.9 10.2 33 33 A I E -a 4 0A 32 -30,-3.9 -28,-1.8 -2,-0.5 2,-0.2 -0.982 22.7-129.9-129.4 127.6 23.7 35.2 9.3 34 34 A N E > -a 5 0A 39 -2,-0.4 3,-2.5 -30,-0.2 4,-0.4 -0.542 32.2-115.9 -71.2 141.8 26.1 32.4 8.3 35 35 A V G > S+ 0 0 9 -30,-3.0 3,-0.9 1,-0.3 -1,-0.1 0.795 114.1 62.0 -51.0 -29.5 29.3 32.7 10.4 36 36 A S G 3 S+ 0 0 69 -31,-0.3 -1,-0.3 1,-0.2 -30,-0.1 0.720 107.6 42.1 -71.5 -19.1 31.3 33.4 7.2 37 37 A D G < S+ 0 0 125 -3,-2.5 -1,-0.2 2,-0.0 -2,-0.2 0.276 87.4 122.5-108.6 7.3 29.3 36.6 6.5 38 38 A V < - 0 0 31 -3,-0.9 2,-0.6 -4,-0.4 -34,-0.0 -0.407 51.3-148.0 -75.9 145.9 29.2 38.0 10.0 39 39 A N > - 0 0 68 1,-0.2 4,-2.1 -2,-0.1 3,-0.3 -0.969 7.4-153.4-113.3 112.1 30.5 41.5 10.9 40 40 A I H > S+ 0 0 23 -2,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.901 90.3 55.4 -51.7 -49.3 31.8 41.4 14.5 41 41 A D H 4 S+ 0 0 119 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.888 111.7 43.2 -54.7 -44.4 31.3 45.1 15.2 42 42 A E H >4 S+ 0 0 115 -3,-0.3 3,-1.2 1,-0.2 4,-0.4 0.884 112.4 53.0 -70.7 -38.0 27.6 45.0 14.3 43 43 A L H >< S+ 0 0 2 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.896 100.2 62.8 -64.6 -38.7 27.0 41.7 16.2 44 44 A L T 3< S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.522 93.1 63.5 -67.0 -6.4 28.5 43.2 19.3 45 45 A N T < S+ 0 0 143 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.634 81.8 110.2 -89.7 -16.5 25.8 45.8 19.6 46 46 A E < - 0 0 32 -3,-1.7 3,-0.1 -4,-0.4 -3,-0.0 -0.212 66.7-140.8 -63.4 146.5 23.1 43.2 20.0 47 47 A D S S+ 0 0 94 1,-0.2 34,-1.1 33,-0.1 2,-0.4 0.948 91.9 24.1 -69.4 -48.4 21.2 42.7 23.2 48 48 A I E S- c 0 81A 2 32,-0.1 2,-0.5 2,-0.0 -46,-0.5 -0.958 70.5-148.2-123.9 135.1 21.2 38.9 22.8 49 49 A L E -bc 2 82A 0 32,-2.7 34,-2.5 -2,-0.4 2,-0.6 -0.898 10.9-164.5-100.9 124.7 23.6 36.8 20.8 50 50 A I E -bc 3 83A 0 -48,-1.0 -46,-2.7 -2,-0.5 2,-0.4 -0.962 16.8-179.2-112.1 112.1 22.0 33.6 19.3 51 51 A L E -bc 4 84A 0 32,-2.6 34,-1.8 -2,-0.6 2,-0.4 -0.959 8.1-179.0-122.3 134.1 24.7 31.2 18.3 52 52 A G E +bc 5 85A 0 -48,-2.3 -46,-1.5 -2,-0.4 2,-0.3 -0.975 10.4 155.6-136.4 144.3 24.5 27.8 16.6 53 53 A C E -b 6 0A 0 32,-1.6 -46,-0.1 -2,-0.4 3,-0.1 -0.937 34.6-120.3-162.5 136.2 26.9 25.2 15.5 54 54 A S - 0 0 12 -48,-0.6 2,-0.4 -2,-0.3 8,-0.4 -0.262 43.7 -86.2 -72.3 167.1 26.6 21.4 14.9 55 55 A A - 0 0 23 32,-1.7 2,-0.2 6,-0.1 6,-0.2 -0.628 49.1-177.1 -79.8 123.1 28.8 18.8 16.8 56 56 A M B >> -F 60 0B 63 4,-2.7 4,-2.3 -2,-0.4 3,-1.5 -0.652 40.8 -29.0-111.8 173.8 32.1 18.2 15.1 57 57 A N T 34 S+ 0 0 120 1,-0.3 -1,-0.0 -2,-0.2 4,-0.0 -0.549 128.1 5.1 -78.8 129.5 34.9 15.7 16.0 58 58 A D T 34 S- 0 0 124 -2,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.029 123.9 -66.6-116.7 104.7 35.2 15.0 18.7 59 59 A E T <4 S+ 0 0 32 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.936 99.4 123.5 62.6 47.9 32.3 16.7 20.4 60 60 A V B < -F 56 0B 52 -4,-2.3 -4,-2.7 38,-0.0 -1,-0.3 -0.863 69.1 -91.8-131.0 165.2 33.9 20.1 19.6 61 61 A L - 0 0 7 -2,-0.3 -6,-0.1 -6,-0.2 2,-0.1 -0.408 63.9 -76.9 -70.8 156.6 32.7 23.3 17.8 62 62 A E > - 0 0 18 -8,-0.4 5,-2.8 1,-0.1 -1,-0.1 -0.344 47.8-150.2 -58.2 130.4 33.6 23.4 14.0 63 63 A E T 5S+ 0 0 120 3,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.779 78.7 50.4 -80.6 -31.8 37.3 24.3 13.8 64 64 A S T 5S+ 0 0 89 3,-0.1 -1,-0.2 4,-0.1 -2,-0.0 0.773 129.6 1.0 -83.3 -25.2 37.9 26.2 10.6 65 65 A E T >5S+ 0 0 76 3,-0.1 4,-1.4 -3,-0.0 5,-0.1 0.690 127.1 45.9-126.2 -54.0 35.2 28.9 10.9 66 66 A F H >5S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.942 110.7 48.1 -66.8 -52.3 33.0 28.8 14.0 67 67 A E H > S+ 0 0 52 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.898 109.7 51.5 -58.3 -38.8 37.9 31.1 15.4 69 69 A F H X S+ 0 0 11 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.936 110.7 47.4 -61.4 -46.8 34.8 33.4 15.5 70 70 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.918 111.7 50.5 -62.9 -41.9 34.0 32.5 19.1 71 71 A E H < S+ 0 0 105 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.904 108.9 52.8 -64.3 -37.1 37.7 33.0 20.1 72 72 A E H < S+ 0 0 110 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.903 115.1 38.3 -67.1 -40.0 37.6 36.4 18.4 73 73 A I H >< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.2 4,-0.2 0.646 90.7 95.9 -85.4 -11.7 34.5 37.7 20.3 74 74 A S G >< S+ 0 0 22 -4,-1.6 3,-0.7 1,-0.3 -1,-0.2 0.791 84.7 46.1 -47.1 -42.5 35.4 36.0 23.6 75 75 A T G 3 S+ 0 0 118 -4,-0.5 -1,-0.3 -3,-0.4 3,-0.2 0.569 112.5 51.0 -81.4 -8.4 37.1 39.1 25.1 76 76 A K G < S+ 0 0 104 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.165 95.3 68.2-115.8 20.1 34.3 41.5 24.1 77 77 A I X + 0 0 0 -3,-0.7 3,-2.3 -4,-0.2 -1,-0.1 0.283 54.3 139.9-125.4 11.5 31.2 39.7 25.4 78 78 A S T 3 S+ 0 0 93 1,-0.3 30,-0.2 -3,-0.2 29,-0.2 -0.308 80.4 14.9 -56.6 135.2 31.3 39.8 29.2 79 79 A G T 3 S+ 0 0 55 28,-2.8 -1,-0.3 1,-0.3 29,-0.2 0.327 96.8 133.8 81.5 -9.3 27.8 40.5 30.6 80 80 A K < - 0 0 46 -3,-2.3 29,-3.0 1,-0.1 2,-0.4 -0.437 57.2-123.3 -76.2 147.3 26.1 39.7 27.2 81 81 A K E -cd 48 109A 87 -34,-1.1 -32,-2.7 27,-0.2 2,-0.3 -0.730 34.7-177.7 -88.1 136.5 23.1 37.4 27.0 82 82 A V E -cd 49 110A 0 27,-2.5 29,-1.9 -2,-0.4 30,-0.5 -0.984 18.9-161.0-137.9 149.2 23.5 34.4 24.7 83 83 A A E -c 50 0A 0 -34,-2.5 -32,-2.6 -2,-0.3 2,-0.3 -0.998 18.1-155.3-129.4 132.6 21.3 31.6 23.5 84 84 A L E +c 51 0A 0 -2,-0.4 31,-2.3 28,-0.3 2,-0.3 -0.873 19.1 158.2-117.3 146.9 22.9 28.4 22.1 85 85 A F E +ce 52 115A 0 -34,-1.8 -32,-1.6 -2,-0.3 2,-0.3 -0.964 2.4 150.1-155.0 165.3 21.6 25.8 19.7 86 86 A G E - e 0 116A 0 29,-1.8 31,-1.6 -2,-0.3 2,-0.3 -0.896 36.4-107.7 171.2 160.8 22.9 23.1 17.3 87 87 A S E - e 0 117A 3 -2,-0.3 -32,-1.7 29,-0.2 2,-0.3 -0.749 33.4-179.4-101.9 152.5 22.3 19.7 15.6 88 88 A Y E - e 0 118A 46 29,-1.6 31,-2.8 -2,-0.3 -32,-0.0 -0.902 16.1-154.1-145.2 170.3 24.3 16.6 16.5 89 89 A G S S- 0 0 20 -2,-0.3 -1,-0.1 29,-0.2 29,-0.0 0.637 75.0 -2.5-112.0 -87.3 24.4 13.0 15.4 90 90 A W S S+ 0 0 225 28,-0.0 28,-0.0 2,-0.0 -2,-0.0 0.518 106.1 85.5 -92.6 -9.5 25.6 10.1 17.5 91 91 A G S S- 0 0 22 1,-0.1 -3,-0.1 -36,-0.0 -36,-0.0 -0.019 77.6-119.6 -82.8-168.4 26.6 11.9 20.7 92 92 A D - 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.058 67.6 -78.7-119.5 19.0 24.7 12.9 23.8 93 93 A G S >> S+ 0 0 2 3,-0.0 4,-2.0 4,-0.0 3,-0.7 0.562 82.0 140.1 97.7 11.3 25.3 16.7 23.7 94 94 A K H 3> S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.901 71.8 56.1 -54.6 -43.7 28.8 16.8 25.1 95 95 A W H 3> S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.860 109.5 46.9 -58.6 -34.5 29.8 19.5 22.6 96 96 A M H <> S+ 0 0 7 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.859 107.2 54.7 -77.2 -34.8 26.9 21.7 23.8 97 97 A R H X S+ 0 0 120 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.948 113.3 44.8 -62.4 -41.1 27.6 21.2 27.5 98 98 A D H X S+ 0 0 57 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.899 110.5 52.8 -68.5 -41.4 31.2 22.4 26.8 99 99 A F H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.924 111.3 47.7 -60.0 -43.6 30.0 25.3 24.6 100 100 A E H X S+ 0 0 69 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.928 112.3 48.5 -63.9 -46.2 27.7 26.5 27.4 101 101 A E H X S+ 0 0 135 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.925 111.2 52.1 -59.2 -43.0 30.5 26.2 30.0 102 102 A R H X S+ 0 0 59 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.928 109.8 46.6 -59.9 -49.8 32.8 28.1 27.7 103 103 A M H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-0.5 0.892 112.0 50.9 -63.1 -39.2 30.4 31.0 27.2 104 104 A N H ><5S+ 0 0 85 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.898 106.3 57.1 -63.4 -38.5 29.7 31.2 30.9 105 105 A G H 3<5S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.780 101.7 55.0 -62.7 -28.5 33.5 31.3 31.4 106 106 A Y T 3<5S- 0 0 67 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.461 127.5 -98.3 -82.8 -3.6 33.7 34.4 29.2 107 107 A G T < 5S+ 0 0 30 -3,-1.6 -28,-2.8 -4,-0.3 -3,-0.2 0.535 76.6 141.7 99.8 7.3 31.2 36.2 31.4 108 108 A C < - 0 0 3 -5,-2.2 2,-0.7 -30,-0.2 -1,-0.3 -0.439 50.4-130.0 -80.8 156.8 28.1 35.6 29.3 109 109 A V E -d 81 0A 74 -29,-3.0 -27,-2.5 -2,-0.1 2,-1.0 -0.941 15.4-146.1-108.1 111.6 24.7 34.9 30.7 110 110 A V E -d 82 0A 22 -2,-0.7 -27,-0.2 -29,-0.2 -29,-0.1 -0.750 15.0-164.7 -78.8 104.1 23.2 31.9 28.9 111 111 A V + 0 0 31 -29,-1.9 2,-0.3 -2,-1.0 -1,-0.2 0.771 61.1 16.6 -65.8 -33.8 19.6 32.9 29.0 112 112 A E S S- 0 0 63 -30,-0.5 -28,-0.3 3,-0.0 3,-0.1 -0.895 93.7 -80.4-136.5 166.7 17.9 29.6 28.2 113 113 A T - 0 0 111 -2,-0.3 -2,-0.0 1,-0.1 -30,-0.0 -0.467 63.4-100.7 -62.9 133.5 18.7 25.9 28.1 114 114 A P - 0 0 19 0, 0.0 2,-0.6 0, 0.0 -29,-0.2 -0.350 33.9-126.8 -59.7 142.0 20.6 25.2 24.9 115 115 A L E +e 85 0A 27 -31,-2.3 -29,-1.8 -3,-0.1 2,-0.4 -0.817 32.4 177.0 -94.5 118.0 18.5 23.7 22.2 116 116 A I E -e 86 0A 55 -2,-0.6 2,-0.4 -31,-0.2 -29,-0.2 -0.978 5.2-177.8-123.5 137.7 19.9 20.5 20.7 117 117 A V E -e 87 0A 14 -31,-1.6 -29,-1.6 -2,-0.4 2,-0.5 -0.994 29.0-118.2-134.1 138.6 18.2 18.4 18.0 118 118 A Q E S-e 88 0A 107 -2,-0.4 -29,-0.2 -31,-0.2 6,-0.1 -0.662 73.5 -40.2 -81.1 125.3 19.5 15.1 16.5 119 119 A N S S+ 0 0 85 -31,-2.8 -31,-0.1 -2,-0.5 -2,-0.1 -0.189 121.7 6.2 55.2-144.7 20.0 15.4 12.7 120 120 A E S S- 0 0 89 1,-0.1 3,-0.4 -33,-0.1 4,-0.2 -0.423 72.6-127.5 -70.2 142.3 17.4 17.4 10.8 121 121 A P > + 0 0 0 0, 0.0 3,-3.3 0, 0.0 2,-0.7 0.952 67.6 123.5 -50.3 -62.8 14.7 19.2 12.9 122 122 A D G > S+ 0 0 92 1,-0.3 3,-1.2 2,-0.2 4,-0.2 -0.068 82.9 31.2 37.5 -83.8 11.7 17.8 11.1 123 123 A E G 3 S+ 0 0 198 -2,-0.7 -1,-0.3 -3,-0.4 3,-0.3 0.762 123.5 50.6 -70.1 -25.0 9.9 16.2 14.1 124 124 A A G <> S+ 0 0 10 -3,-3.3 4,-1.7 -4,-0.2 -1,-0.3 0.191 74.9 115.6 -97.4 16.9 11.3 18.9 16.4 125 125 A E H <> S+ 0 0 73 -3,-1.2 4,-2.0 1,-0.2 3,-0.4 0.910 76.7 47.2 -53.8 -46.8 10.2 21.8 14.2 126 126 A Q H > S+ 0 0 105 -3,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.884 107.0 58.6 -64.5 -36.0 7.8 23.3 16.7 127 127 A D H > S+ 0 0 98 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.859 106.3 48.8 -58.3 -40.9 10.5 23.0 19.4 128 128 A C H X S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.4 -1,-0.2 0.939 111.6 48.4 -64.0 -48.0 12.7 25.2 17.4 129 129 A I H X S+ 0 0 11 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.925 111.3 51.0 -58.3 -44.9 10.0 27.8 16.8 130 130 A E H X S+ 0 0 77 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.855 105.3 55.2 -62.9 -36.1 9.2 27.8 20.6 131 131 A F H X S+ 0 0 12 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.928 107.8 50.3 -62.9 -42.7 12.8 28.3 21.5 132 132 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.917 109.0 51.9 -60.8 -41.6 12.7 31.4 19.2 133 133 A K H X S+ 0 0 65 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.872 106.7 52.9 -63.9 -36.3 9.5 32.5 21.1 134 134 A K H >< S+ 0 0 109 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.928 109.0 49.1 -64.5 -43.2 11.3 32.1 24.5 135 135 A I H >< S+ 0 0 1 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.858 107.8 54.3 -63.7 -39.1 14.2 34.4 23.4 136 136 A A H 3< S+ 0 0 8 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.711 102.3 59.7 -67.6 -20.4 11.7 37.0 22.1 137 137 A N T << 0 0 144 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.267 360.0 360.0 -90.7 11.4 10.1 37.0 25.6 138 138 A I < 0 0 93 -3,-1.3 -1,-0.2 -90,-0.0 -2,-0.2 0.884 360.0 360.0 -92.4 360.0 13.4 38.0 27.2