==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 23-DEC-96 5NLL . 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) . 6846.0 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 . 14 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 31.2 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 31 0, 0.0 30,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 174.3 17.9 40.5 17.0 2 2 A K E -ab 31 49A 34 46,-0.6 48,-1.3 28,-0.2 2,-0.5 -1.000 360.0-159.2-140.9 139.6 20.5 38.4 15.1 3 3 A I E -ab 32 50A 0 28,-2.7 30,-3.7 -2,-0.4 2,-0.4 -0.973 11.8-171.1-117.0 122.4 21.1 34.7 14.7 4 4 A V E +ab 33 51A 0 46,-2.6 48,-2.3 -2,-0.5 2,-0.3 -0.959 17.6 159.3-114.6 133.8 24.6 33.6 13.7 5 5 A Y E -ab 34 52A 16 28,-1.8 30,-2.9 -2,-0.4 2,-0.4 -0.948 34.2-143.9-150.2 165.0 25.2 30.0 12.8 6 6 A W E + b 0 53A 34 46,-1.3 48,-0.7 -2,-0.3 2,-0.3 -0.990 23.6 176.1-128.4 137.0 27.5 27.5 11.0 7 7 A S - 0 0 22 -2,-0.4 -2,-0.0 46,-0.1 46,-0.0 -0.968 19.7-170.5-146.3 129.2 26.0 24.5 9.2 8 8 A G S S+ 0 0 49 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 0.712 92.8 12.6 -90.3 -27.0 27.7 21.8 7.1 9 9 A T S S- 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.393 113.0 -94.8-127.1 -4.1 24.7 20.0 5.6 10 10 A G S > S+ 0 0 20 110,-0.0 4,-2.0 4,-0.0 5,-0.1 0.387 91.7 113.3 106.9 -1.6 21.9 22.4 6.4 11 11 A N H > S+ 0 0 33 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.964 85.4 37.8 -69.8 -49.0 20.5 21.0 9.7 12 12 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.829 113.9 58.4 -69.2 -31.9 21.5 23.9 12.0 13 13 A E H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 105.4 49.0 -61.7 -44.7 20.6 26.3 9.2 14 14 A K H X S+ 0 0 57 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.905 110.0 51.9 -62.2 -41.3 17.1 24.9 9.2 15 15 A M H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.924 107.4 53.1 -59.4 -44.7 17.0 25.3 13.0 16 16 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.891 108.1 49.9 -58.6 -43.5 18.1 28.9 12.6 17 17 A E H X S+ 0 0 106 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.881 112.2 47.5 -63.1 -41.5 15.3 29.7 10.1 18 18 A L H X S+ 0 0 13 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.890 110.2 51.0 -68.1 -42.5 12.7 28.2 12.4 19 19 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.926 110.5 50.7 -60.4 -42.1 13.9 30.0 15.5 20 20 A A H X S+ 0 0 9 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.925 106.2 55.1 -61.4 -44.6 13.8 33.2 13.5 21 21 A K H X S+ 0 0 100 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.905 106.6 51.4 -54.6 -43.2 10.2 32.4 12.5 22 22 A G H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.898 110.4 47.6 -62.1 -43.4 9.3 32.1 16.2 23 23 A I H <>S+ 0 0 0 -4,-1.9 5,-1.9 2,-0.2 -2,-0.2 0.909 113.9 47.4 -63.5 -44.0 10.8 35.5 17.0 24 24 A I H ><5S+ 0 0 91 -4,-2.7 3,-2.4 1,-0.2 -2,-0.2 0.926 108.2 54.7 -65.8 -42.5 9.0 37.1 14.1 25 25 A E H 3<5S+ 0 0 98 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.815 102.3 58.6 -61.5 -29.4 5.7 35.5 15.0 26 26 A S T 3<5S- 0 0 58 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.476 128.6-100.0 -78.6 0.4 6.1 37.0 18.5 27 27 A G T < 5S+ 0 0 69 -3,-2.4 -3,-0.2 1,-0.3 2,-0.2 0.363 84.8 115.7 100.9 -1.3 6.2 40.5 16.7 28 28 A K < - 0 0 98 -5,-1.9 -1,-0.3 1,-0.0 2,-0.3 -0.517 60.3-119.6-103.2 164.7 9.9 41.1 16.7 29 29 A D + 0 0 118 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.0 -0.734 33.1 167.2-101.0 149.8 12.5 41.5 13.9 30 30 A V - 0 0 12 -2,-0.3 2,-0.4 2,-0.0 -28,-0.2 -0.969 21.3-151.6-161.0 146.0 15.5 39.2 13.5 31 31 A N E -a 2 0A 78 -30,-1.7 -28,-2.7 -2,-0.3 2,-0.5 -0.968 13.5-143.4-122.2 137.0 18.2 38.5 10.8 32 32 A T E -a 3 0A 57 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.906 20.7-172.4-101.7 133.3 19.9 35.1 10.4 33 33 A I E -a 4 0A 32 -30,-3.7 -28,-1.8 -2,-0.5 2,-0.2 -0.980 23.3-129.6-129.9 129.8 23.6 35.4 9.4 34 34 A N E > -a 5 0A 35 -2,-0.4 3,-1.8 -30,-0.2 4,-0.4 -0.604 33.1-115.7 -73.5 143.9 25.9 32.6 8.4 35 35 A V G > S+ 0 0 8 -30,-2.9 3,-1.1 1,-0.3 -1,-0.1 0.800 113.5 63.0 -53.9 -29.4 29.1 32.9 10.4 36 36 A S G 3 S+ 0 0 70 -31,-0.3 -1,-0.3 1,-0.2 -30,-0.1 0.833 107.1 43.4 -66.8 -27.1 31.1 33.6 7.3 37 37 A D G < S+ 0 0 127 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.331 87.4 124.1-100.0 7.1 29.2 36.8 6.6 38 38 A V < - 0 0 32 -3,-1.1 2,-0.6 -4,-0.4 3,-0.1 -0.298 49.9-150.1 -73.4 149.1 29.1 38.2 10.2 39 39 A N > - 0 0 81 1,-0.2 4,-2.1 -2,-0.0 3,-0.5 -0.975 8.9-154.6-117.2 107.6 30.4 41.6 11.1 40 40 A I H > S+ 0 0 20 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.928 89.0 54.5 -48.5 -53.5 31.6 41.4 14.7 41 41 A D H 4 S+ 0 0 114 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.819 111.2 43.3 -55.4 -39.8 31.1 45.1 15.5 42 42 A E H >4 S+ 0 0 124 -3,-0.5 3,-1.0 1,-0.2 -1,-0.3 0.859 112.0 55.9 -74.1 -33.9 27.5 45.2 14.5 43 43 A L H >< S+ 0 0 2 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.888 98.5 60.9 -63.6 -40.0 26.9 41.9 16.3 44 44 A L T 3< S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.581 91.8 67.2 -67.7 -9.6 28.2 43.2 19.6 45 45 A N T < S+ 0 0 142 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.591 80.4 108.4 -84.1 -12.7 25.5 45.9 19.8 46 46 A E < - 0 0 32 -3,-1.7 3,-0.1 -4,-0.3 -3,-0.0 -0.373 65.2-146.4 -69.9 143.5 22.9 43.2 20.2 47 47 A D S S+ 0 0 84 1,-0.2 34,-1.3 -2,-0.1 2,-0.4 0.925 90.4 30.0 -70.0 -45.7 21.1 42.7 23.5 48 48 A I E - c 0 81A 2 32,-0.1 -46,-0.6 2,-0.0 2,-0.6 -0.956 69.5-153.6-123.7 131.8 20.9 38.9 22.8 49 49 A L E -bc 2 82A 1 32,-2.6 34,-2.6 -2,-0.4 2,-0.7 -0.921 8.0-165.6-104.3 119.0 23.3 36.7 20.9 50 50 A I E -bc 3 83A 0 -48,-1.3 -46,-2.6 -2,-0.6 2,-0.4 -0.929 16.4-178.8-109.4 110.4 21.7 33.6 19.4 51 51 A L E -bc 4 84A 1 32,-2.5 34,-1.9 -2,-0.7 2,-0.4 -0.940 7.1-179.0-119.8 131.1 24.5 31.3 18.3 52 52 A G E +bc 5 85A 0 -48,-2.3 -46,-1.3 -2,-0.4 2,-0.3 -0.960 10.3 154.6-132.7 146.1 24.3 27.9 16.6 53 53 A C E -b 6 0A 0 32,-1.8 -46,-0.1 -2,-0.4 3,-0.1 -0.911 35.2-117.8-165.3 136.9 26.7 25.2 15.4 54 54 A S - 0 0 12 -48,-0.7 2,-0.5 -2,-0.3 8,-0.4 -0.232 43.7 -86.7 -72.4 165.6 26.5 21.5 14.8 55 55 A A - 0 0 22 32,-1.7 2,-0.2 6,-0.1 6,-0.2 -0.629 49.4-173.3 -77.4 117.0 28.6 18.9 16.7 56 56 A M B >> -F 60 0B 66 4,-2.9 4,-2.2 -2,-0.5 3,-1.2 -0.589 40.6 -31.6-104.1 172.1 31.9 18.4 14.9 57 57 A G T 34 S+ 0 0 58 1,-0.3 -1,-0.1 2,-0.2 4,-0.0 -0.552 127.6 4.3 -79.1 128.2 34.6 15.8 15.7 58 58 A D T 34 S- 0 0 123 -2,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.133 124.3 -64.4-116.4 109.8 34.9 14.9 18.4 59 59 A E T <4 S+ 0 0 31 -3,-1.2 2,-0.3 1,-0.2 -2,-0.2 0.924 100.3 119.1 60.2 47.2 32.1 16.7 20.3 60 60 A V B < S-F 56 0B 48 -4,-2.2 -4,-2.9 38,-0.0 -1,-0.2 -0.848 71.0 -89.0-133.0 168.3 33.6 20.1 19.5 61 61 A L - 0 0 8 -2,-0.3 -6,-0.1 -6,-0.2 2,-0.1 -0.451 63.6 -78.6 -73.0 153.9 32.5 23.3 17.7 62 62 A E > - 0 0 17 -8,-0.4 5,-2.8 1,-0.1 -1,-0.1 -0.350 47.8-150.8 -56.2 129.4 33.3 23.5 14.0 63 63 A E T 5S+ 0 0 120 3,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.725 78.2 51.4 -82.3 -28.1 37.0 24.4 13.8 64 64 A S T 5S+ 0 0 87 3,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.806 129.3 1.3 -85.5 -25.5 37.6 26.4 10.6 65 65 A E T >5S+ 0 0 74 3,-0.1 4,-1.2 -3,-0.0 -2,-0.1 0.699 127.5 46.2-125.3 -50.7 35.0 29.0 10.9 66 66 A F H >5S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.956 110.1 48.2 -70.3 -51.4 32.9 28.9 14.0 67 67 A E H > S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.860 110.9 49.7 -57.3 -35.6 37.7 31.2 15.4 69 69 A F H X S+ 0 0 8 -4,-1.2 4,-2.1 -3,-0.3 5,-0.2 0.936 110.7 48.1 -67.8 -47.7 34.6 33.5 15.5 70 70 A I H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.908 113.3 49.0 -59.4 -42.3 33.7 32.5 19.1 71 71 A E H < S+ 0 0 104 -4,-2.7 4,-0.4 -5,-0.2 -1,-0.2 0.899 108.8 53.1 -65.1 -39.2 37.3 33.1 20.1 72 72 A E H < S+ 0 0 110 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.879 116.1 37.7 -65.5 -37.8 37.4 36.5 18.5 73 73 A I H >X S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.2 4,-0.5 0.654 90.6 96.7 -88.9 -12.2 34.3 37.7 20.3 74 74 A S T 3< S+ 0 0 22 -4,-1.5 3,-0.5 1,-0.3 -1,-0.2 0.749 83.6 47.2 -48.0 -37.7 35.1 36.0 23.6 75 75 A T T 34 S+ 0 0 121 -4,-0.4 -1,-0.3 -3,-0.4 3,-0.1 0.492 111.9 50.4 -86.0 -3.8 36.7 39.1 25.2 76 76 A K T <4 S+ 0 0 100 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.369 95.5 68.5-115.3 7.8 33.9 41.5 24.3 77 77 A I >< + 0 0 0 -4,-0.5 3,-2.2 -3,-0.5 -2,-0.1 0.260 54.9 138.0-115.7 13.9 30.8 39.6 25.5 78 78 A S T 3 S+ 0 0 93 1,-0.3 30,-0.2 -3,-0.1 29,-0.2 -0.366 81.1 15.0 -59.8 133.3 31.0 39.6 29.3 79 79 A G T 3 S+ 0 0 55 28,-3.3 -1,-0.3 1,-0.3 29,-0.2 0.285 96.6 130.9 84.8 -12.0 27.5 40.3 30.6 80 80 A K < - 0 0 42 -3,-2.2 29,-2.9 1,-0.1 2,-0.4 -0.433 59.5-121.4 -74.9 149.2 25.8 39.7 27.3 81 81 A K E -cd 48 109A 76 -34,-1.3 -32,-2.6 27,-0.2 2,-0.3 -0.751 35.5-176.9 -89.4 134.4 22.8 37.4 27.1 82 82 A V E -cd 49 110A 0 27,-2.5 29,-2.5 -2,-0.4 30,-0.5 -0.978 18.5-162.4-134.3 149.9 23.3 34.4 24.7 83 83 A A E -c 50 0A 0 -34,-2.6 -32,-2.5 -2,-0.3 2,-0.3 -0.997 18.4-154.7-130.5 132.1 21.0 31.5 23.6 84 84 A L E +c 51 0A 0 -2,-0.4 31,-2.1 28,-0.3 2,-0.3 -0.863 19.1 158.7-115.0 148.0 22.7 28.5 22.0 85 85 A F E +ce 52 115A 0 -34,-1.9 -32,-1.8 -2,-0.3 2,-0.3 -0.964 1.3 149.3-156.1 166.1 21.5 25.8 19.6 86 86 A G E - e 0 116A 0 29,-1.8 31,-1.6 -2,-0.3 2,-0.3 -0.882 37.4-105.1 170.5 160.4 22.7 23.2 17.1 87 87 A S E - e 0 117A 4 -2,-0.3 -32,-1.7 29,-0.2 2,-0.3 -0.736 33.5-175.5-100.0 152.0 22.1 19.9 15.4 88 88 A Y E - e 0 118A 46 29,-1.7 31,-2.8 -2,-0.3 -32,-0.0 -0.899 15.0-154.1-140.7 167.1 24.0 16.7 16.3 89 89 A G S S- 0 0 21 -2,-0.3 -1,-0.2 29,-0.2 29,-0.0 0.678 74.9 -6.2-107.4 -86.0 24.3 13.1 15.0 90 90 A W S S+ 0 0 223 28,-0.0 28,-0.0 2,-0.0 -2,-0.0 0.534 106.6 83.6 -97.6 -8.4 25.3 10.2 17.2 91 91 A G S S- 0 0 24 -36,-0.1 -3,-0.1 1,-0.1 -36,-0.0 0.039 78.7-116.2 -83.5-164.7 26.3 11.8 20.5 92 92 A D - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.022 67.9 -78.5-122.6 23.6 24.3 13.0 23.5 93 93 A G S >> S+ 0 0 2 3,-0.1 4,-2.0 4,-0.0 3,-0.7 0.589 80.7 141.5 93.8 13.7 25.0 16.7 23.4 94 94 A K H 3> S+ 0 0 88 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.909 73.2 55.3 -54.8 -43.9 28.5 16.8 24.9 95 95 A W H 3> S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.873 109.2 48.6 -58.8 -34.0 29.6 19.5 22.5 96 96 A M H <> S+ 0 0 5 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.888 107.4 52.7 -76.2 -35.9 26.6 21.7 23.6 97 97 A R H X S+ 0 0 123 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.945 113.7 45.4 -63.1 -42.2 27.4 21.2 27.4 98 98 A D H X S+ 0 0 56 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.862 109.7 54.4 -66.2 -40.0 30.9 22.4 26.6 99 99 A F H X S+ 0 0 1 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.935 111.0 45.9 -60.0 -45.1 29.6 25.3 24.5 100 100 A E H X S+ 0 0 67 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.922 112.0 50.1 -64.3 -45.9 27.5 26.4 27.4 101 101 A E H X S+ 0 0 137 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.910 110.7 52.1 -58.9 -39.7 30.3 26.0 29.9 102 102 A R H X S+ 0 0 55 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.933 109.9 45.7 -63.6 -48.7 32.5 28.0 27.6 103 103 A M H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-0.3 0.880 112.3 51.5 -65.0 -36.6 30.2 31.0 27.2 104 104 A N H ><5S+ 0 0 85 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.893 106.8 55.7 -65.1 -36.8 29.5 31.1 31.0 105 105 A G H 3<5S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.765 102.4 55.3 -65.4 -27.4 33.3 31.1 31.4 106 106 A Y T 3<5S- 0 0 66 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.422 126.8-100.6 -83.9 -2.0 33.5 34.2 29.2 107 107 A G T < 5S+ 0 0 30 -3,-1.5 -28,-3.3 1,-0.3 -3,-0.2 0.630 75.1 142.6 93.2 14.1 31.0 35.9 31.5 108 108 A C < - 0 0 5 -5,-2.4 2,-0.7 -30,-0.2 -1,-0.3 -0.480 51.1-128.1 -86.1 159.1 27.9 35.5 29.4 109 109 A V E -d 81 0A 80 -29,-2.9 -27,-2.5 -2,-0.2 2,-0.9 -0.931 17.6-145.5-107.2 109.0 24.5 34.8 30.7 110 110 A V E -d 82 0A 24 -2,-0.7 -27,-0.2 -29,-0.2 -29,-0.1 -0.697 15.7-164.6 -75.2 108.8 23.0 31.8 28.9 111 111 A V + 0 0 33 -29,-2.5 2,-0.3 -2,-0.9 -28,-0.2 0.825 59.9 18.4 -70.0 -36.1 19.4 32.7 28.8 112 112 A E S S- 0 0 60 -30,-0.5 -28,-0.3 3,-0.0 3,-0.1 -0.830 92.9 -82.9-131.8 167.4 17.6 29.5 27.9 113 113 A T - 0 0 111 -2,-0.3 -2,-0.0 1,-0.1 2,-0.0 -0.493 64.1 -98.1 -64.4 136.5 18.4 25.8 28.0 114 114 A P - 0 0 20 0, 0.0 2,-0.7 0, 0.0 -29,-0.2 -0.387 33.9-129.6 -61.3 139.5 20.4 25.1 24.8 115 115 A L E +e 85 0A 26 -31,-2.1 -29,-1.8 -3,-0.1 2,-0.4 -0.822 31.3 176.6 -93.7 114.7 18.2 23.7 22.0 116 116 A I E -e 86 0A 56 -2,-0.7 2,-0.4 -31,-0.2 -29,-0.2 -0.973 5.6-176.7-121.5 134.7 19.7 20.5 20.5 117 117 A V E -e 87 0A 14 -31,-1.6 -29,-1.7 -2,-0.4 2,-0.5 -0.987 28.5-120.1-130.4 138.3 18.1 18.5 17.8 118 118 A Q E S-e 88 0A 108 -2,-0.4 -29,-0.2 -31,-0.2 -31,-0.1 -0.686 73.8 -40.2 -80.3 123.7 19.3 15.2 16.2 119 119 A N S S+ 0 0 82 -31,-2.8 -31,-0.1 -2,-0.5 -2,-0.1 -0.136 119.8 4.9 55.8-148.7 19.8 15.6 12.5 120 120 A E S S- 0 0 92 1,-0.1 3,-0.4 -33,-0.1 4,-0.2 -0.428 73.8-125.0 -68.4 139.7 17.3 17.6 10.4 121 121 A P > + 0 0 3 0, 0.0 3,-2.7 0, 0.0 2,-1.0 0.941 67.0 126.3 -47.0 -65.1 14.5 19.3 12.5 122 122 A D G > S+ 0 0 81 1,-0.3 3,-1.0 2,-0.2 4,-0.2 -0.159 83.3 29.5 45.1 -86.0 11.5 17.8 10.7 123 123 A E G 3 S+ 0 0 189 -2,-1.0 3,-0.4 -3,-0.4 -1,-0.3 0.824 122.8 52.5 -71.3 -31.1 9.8 16.4 13.8 124 124 A A G <> S+ 0 0 14 -3,-2.7 4,-1.8 -4,-0.2 -1,-0.2 0.181 73.9 115.7 -91.9 19.3 11.2 19.0 16.1 125 125 A E H <> S+ 0 0 71 -3,-1.0 4,-2.2 1,-0.2 3,-0.3 0.914 76.8 45.7 -55.8 -48.4 10.0 22.0 13.9 126 126 A Q H > S+ 0 0 102 -3,-0.4 4,-3.4 1,-0.2 -1,-0.2 0.877 108.5 59.5 -63.5 -35.2 7.6 23.4 16.5 127 127 A D H > S+ 0 0 98 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.867 105.9 47.4 -58.7 -40.3 10.3 23.0 19.1 128 128 A C H X S+ 0 0 0 -4,-1.8 4,-1.7 -3,-0.3 3,-0.2 0.950 113.0 48.4 -66.4 -45.8 12.6 25.3 17.1 129 129 A I H X S+ 0 0 9 -4,-2.2 4,-2.1 1,-0.2 3,-0.2 0.934 111.0 51.0 -58.2 -48.0 9.8 27.8 16.7 130 130 A E H X S+ 0 0 80 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.813 104.9 56.4 -60.6 -32.0 9.0 27.7 20.4 131 131 A F H X S+ 0 0 11 -4,-1.5 4,-2.1 -3,-0.2 -1,-0.2 0.894 107.5 49.1 -67.2 -40.7 12.6 28.3 21.3 132 132 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.2 -2,-0.2 0.908 109.0 53.0 -63.9 -40.0 12.5 31.5 19.3 133 133 A K H X S+ 0 0 66 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.832 107.4 52.0 -64.9 -33.1 9.3 32.5 21.1 134 134 A K H >< S+ 0 0 112 -4,-1.7 3,-0.8 2,-0.2 -1,-0.2 0.917 109.3 48.6 -67.5 -44.4 11.1 32.0 24.4 135 135 A I H >< S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.886 107.3 56.2 -63.2 -38.1 13.9 34.2 23.4 136 136 A A H 3< S+ 0 0 8 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.688 101.5 58.2 -67.2 -18.7 11.4 36.8 22.2 137 137 A N T << 0 0 144 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.365 360.0 360.0 -91.3 3.6 9.9 36.8 25.7 138 138 A I < 0 0 99 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.2 0.940 360.0 360.0 -74.0 360.0 13.3 37.8 27.3