==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-OCT-98 1BX0 . COMPND 2 MOLECULE: PROTEIN (FERREDOXIN:NADP+ OXIDOREDUCTASE); . SOURCE 2 ORGANISM_SCIENTIFIC: SPINACIA OLERACEA; . AUTHOR A.ALIVERTI,Z.DENG,D.RAVASI,L.PIUBELLI,P.A.KARPLUS,G.ZANETTI . 296 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 15.5 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 2 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 1 2 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 . 5 0 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 19 A H 0 0 250 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 137.5 27.4 29.1 22.5 2 20 A S - 0 0 18 2,-0.1 5,-0.0 1,-0.1 287,-0.0 -0.922 360.0-157.0-127.3 151.7 26.5 25.4 22.6 3 21 A K S S+ 0 0 59 -2,-0.3 138,-3.3 138,-0.1 139,-0.5 0.530 81.4 73.7 -95.6 -9.6 24.6 23.2 24.9 4 22 A K B S-A 140 0A 7 136,-0.3 2,-2.3 137,-0.1 3,-0.3 -0.552 99.6 -96.1-105.0 164.3 26.5 20.3 23.5 5 23 A M S S+ 0 0 29 134,-2.8 134,-0.2 1,-0.2 -1,-0.0 -0.474 72.2 133.8 -77.6 71.5 30.0 19.0 24.0 6 24 A E > + 0 0 56 -2,-2.3 3,-1.3 132,-0.1 2,-0.3 0.549 27.0 115.7 -95.4 -16.7 31.3 20.7 20.8 7 25 A E T 3 S- 0 0 103 -3,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.448 89.3 -3.7 -67.8 122.5 34.5 22.3 22.1 8 26 A G T 3 S+ 0 0 69 -2,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.773 87.8 161.1 72.5 26.6 37.7 20.9 20.5 9 27 A I < - 0 0 29 -3,-1.3 2,-0.4 1,-0.0 -1,-0.2 -0.448 34.9-129.1 -77.2 159.1 36.0 18.2 18.4 10 28 A T - 0 0 45 41,-0.5 2,-0.4 -2,-0.1 43,-0.2 -0.911 24.5-174.9-112.2 132.3 37.9 16.7 15.5 11 29 A V - 0 0 75 -2,-0.4 122,-0.2 1,-0.1 120,-0.0 -0.994 62.5 -11.6-132.1 129.8 36.3 16.5 12.1 12 30 A N + 0 0 62 120,-2.7 -1,-0.1 -2,-0.4 3,-0.1 0.897 66.3 153.4 50.0 48.7 37.6 14.8 9.0 13 31 A K S S+ 0 0 94 118,-1.0 2,-0.4 1,-0.2 -1,-0.1 0.891 77.1 39.8 -66.7 -40.0 41.1 14.2 10.2 14 32 A F B S-B 131 0B 32 117,-1.9 117,-2.6 6,-0.0 -1,-0.2 -0.929 81.3-169.1-113.1 132.5 41.1 11.4 7.7 15 33 A K B > -C 18 0C 102 3,-0.9 3,-1.1 -2,-0.4 114,-0.0 -0.666 39.2 -97.3-116.7 169.3 39.4 11.7 4.3 16 34 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.835 123.9 49.9 -54.6 -33.3 38.4 9.4 1.5 17 35 A K T 3 S+ 0 0 201 1,-0.3 -3,-0.0 0, 0.0 0, 0.0 0.671 126.4 25.7 -78.2 -20.0 41.6 10.2 -0.4 18 36 A T B < S+C 15 0C 88 -3,-1.1 -3,-0.9 2,-0.0 -1,-0.3 -0.513 84.7 177.0-144.1 69.7 43.7 9.6 2.6 19 37 A P - 0 0 37 0, 0.0 2,-0.4 0, 0.0 111,-0.2 -0.199 34.0-112.2 -73.8 165.0 42.0 7.2 4.9 20 38 A Y E -D 129 0D 33 109,-2.7 109,-3.0 -6,-0.1 2,-0.7 -0.825 28.6-140.1 -94.3 133.8 43.4 5.8 8.1 21 39 A V E +D 128 0D 64 -2,-0.4 107,-0.2 107,-0.2 2,-0.2 -0.880 29.9 170.9-101.9 109.8 44.1 2.0 7.8 22 40 A G E -D 127 0D 3 105,-2.5 105,-2.4 -2,-0.7 2,-0.4 -0.467 25.1-120.7-105.6-178.5 43.1 0.1 10.9 23 41 A R E -DE 126 45D 134 22,-0.8 22,-2.7 103,-0.3 2,-0.3 -0.971 21.5-111.5-129.3 145.4 42.9 -3.6 11.7 24 42 A C E + E 0 44D 3 101,-3.1 100,-3.4 -2,-0.4 20,-0.2 -0.526 31.3 173.9 -75.3 129.1 40.1 -5.7 12.9 25 43 A L E + 0 0 77 18,-2.8 2,-0.3 1,-0.4 -1,-0.2 0.799 68.1 0.4 -96.8 -50.8 40.5 -7.0 16.5 26 44 A L E - E 0 43D 78 17,-1.2 17,-2.6 96,-0.1 -1,-0.4 -0.981 51.0-174.5-141.3 153.2 37.2 -8.7 17.0 27 45 A N E + E 0 42D 28 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.911 18.3 174.5-149.8 110.7 33.9 -9.4 15.0 28 46 A T E - E 0 41D 69 13,-2.4 13,-2.8 -2,-0.3 2,-0.5 -0.983 32.3-126.5-126.2 140.0 31.0 -11.0 16.9 29 47 A K E - E 0 40D 67 -2,-0.4 11,-0.3 11,-0.2 -2,-0.0 -0.712 25.7-176.6 -81.5 123.7 27.4 -11.8 15.9 30 48 A I + 0 0 49 9,-2.7 2,-0.3 -2,-0.5 164,-0.2 0.370 54.5 78.4-106.3 5.3 25.2 -10.3 18.6 31 49 A T S S- 0 0 9 8,-0.7 160,-0.2 162,-0.1 159,-0.1 -0.832 80.7-116.6-109.2 150.4 21.8 -11.4 17.4 32 50 A G - 0 0 34 158,-2.2 -2,-0.1 -2,-0.3 -1,-0.1 -0.289 31.6-102.9 -75.6 174.6 20.4 -14.8 18.0 33 51 A D S S+ 0 0 148 1,-0.2 4,-0.2 5,-0.0 -1,-0.1 0.749 118.9 65.3 -69.5 -25.9 19.6 -17.2 15.1 34 52 A D S S+ 0 0 110 2,-0.1 -1,-0.2 156,-0.0 3,-0.1 0.987 81.7 101.9 -55.8 -59.3 15.9 -16.4 15.6 35 53 A A S S- 0 0 11 1,-0.2 2,-1.2 -3,-0.0 -4,-0.1 0.251 81.6-116.9 -34.0 133.9 16.4 -12.7 14.6 36 54 A P S S- 0 0 49 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.676 90.4 -3.3 -77.7 99.2 15.4 -11.5 11.2 37 55 A G S S- 0 0 36 -2,-1.2 2,-0.4 -4,-0.2 63,-0.1 0.024 88.1 -94.1 96.7 151.2 18.8 -10.4 9.9 38 56 A E - 0 0 58 61,-0.3 61,-2.9 -8,-0.0 2,-0.4 -0.840 26.1-163.4-109.5 147.9 22.1 -10.4 11.6 39 57 A T E - F 0 98D 12 -2,-0.4 -9,-2.7 59,-0.3 -8,-0.7 -0.984 10.3-161.9-127.3 132.0 23.8 -7.6 13.5 40 58 A W E -EF 29 97D 46 57,-2.8 57,-2.9 -2,-0.4 2,-0.6 -0.892 13.3-148.4-118.5 146.4 27.5 -7.7 14.3 41 59 A H E -EF 28 96D 21 -13,-2.8 -13,-2.4 -2,-0.3 2,-0.4 -0.975 26.9-179.5-112.0 118.2 29.6 -5.8 16.9 42 60 A M E -EF 27 95D 0 53,-2.2 53,-2.3 -2,-0.6 2,-0.4 -0.931 16.0-153.2-124.1 145.2 33.1 -5.3 15.6 43 61 A V E -EF 26 94D 3 -17,-2.6 -18,-2.8 -2,-0.4 -17,-1.2 -0.958 11.1-167.2-119.3 132.4 36.2 -3.6 17.1 44 62 A F E -EF 24 93D 0 49,-3.1 49,-2.1 -2,-0.4 2,-0.3 -0.940 20.5-123.4-118.9 149.1 39.0 -2.0 15.1 45 63 A S E +EF 23 92D 18 -22,-2.7 -22,-0.8 -2,-0.4 47,-0.2 -0.672 33.3 162.7 -87.7 134.9 42.4 -0.7 16.2 46 64 A H > - 0 0 3 45,-2.9 3,-2.7 -2,-0.3 4,-0.2 0.310 41.6-133.7-132.5 2.8 43.2 2.9 15.5 47 65 A E T 3 - 0 0 122 44,-1.2 44,-0.2 1,-0.3 45,-0.1 0.744 66.9 -62.0 50.1 32.5 46.1 3.4 17.8 48 66 A G T 3 S+ 0 0 38 2,-0.1 -1,-0.3 42,-0.1 43,-0.1 0.532 110.4 118.9 75.6 4.8 44.8 6.7 19.1 49 67 A E < + 0 0 89 -3,-2.7 -2,-0.1 1,-0.2 -1,-0.1 0.718 65.0 60.1 -74.0 -26.4 45.0 8.2 15.6 50 68 A I S S- 0 0 2 -4,-0.2 2,-1.7 40,-0.2 -1,-0.2 -0.871 70.9-165.3-106.1 99.0 41.2 8.9 15.4 51 69 A P + 0 0 58 0, 0.0 -41,-0.5 0, 0.0 2,-0.1 -0.494 25.5 166.8 -84.2 74.3 40.2 11.3 18.3 52 70 A Y - 0 0 13 -2,-1.7 2,-0.3 31,-0.2 -41,-0.1 -0.343 26.1-143.7 -86.6 169.0 36.4 10.9 18.3 53 71 A R > - 0 0 67 -43,-0.2 3,-2.1 -2,-0.1 26,-0.2 -0.916 39.4 -79.2-128.5 150.8 33.8 11.9 20.7 54 72 A E T 3 S+ 0 0 5 -2,-0.3 85,-0.5 1,-0.3 28,-0.1 -0.213 116.9 30.5 -48.5 134.1 30.5 10.1 21.8 55 73 A G T 3 S+ 0 0 5 24,-0.4 82,-0.4 1,-0.3 -1,-0.3 0.191 94.3 114.2 99.6 -19.0 27.8 10.6 19.2 56 74 A Q < - 0 0 1 -3,-2.1 23,-2.5 81,-0.1 -1,-0.3 -0.310 53.1-138.1 -81.8 174.6 30.1 10.9 16.1 57 75 A S E -GH 78 133D 14 76,-2.4 76,-2.8 21,-0.3 2,-0.3 -0.817 2.6-146.6-125.4 164.7 30.4 8.6 13.1 58 76 A V E -G 77 0D 0 19,-2.2 19,-2.2 -2,-0.3 2,-0.3 -0.932 18.5-128.4-127.5 150.2 33.2 7.2 11.0 59 77 A G E -GH 76 130D 0 71,-1.7 71,-2.0 -2,-0.3 2,-0.4 -0.771 17.3-154.5 -97.5 146.5 33.1 6.5 7.3 60 78 A V E -GH 75 129D 0 15,-2.6 15,-2.0 -2,-0.3 69,-0.2 -0.982 4.0-155.8-121.5 130.6 34.2 3.0 6.0 61 79 A I E - H 0 128D 15 67,-1.9 67,-0.7 -2,-0.4 13,-0.2 -0.953 22.5-141.5-103.5 106.7 35.5 2.6 2.4 62 80 A P - 0 0 2 0, 0.0 10,-0.5 0, 0.0 52,-0.1 -0.422 25.7 -96.3 -69.0 149.0 34.8 -1.1 1.5 63 81 A D S S+ 0 0 82 8,-0.1 2,-0.2 51,-0.1 54,-0.0 -0.273 83.3 40.0 -62.1 150.1 37.5 -3.0 -0.5 64 82 A G S S- 0 0 53 -3,-0.1 8,-0.8 8,-0.1 2,-0.3 -0.571 82.0 -77.3 109.1-174.3 37.1 -3.3 -4.3 65 83 A E B -I 71 0E 135 6,-0.2 2,-0.1 -2,-0.2 5,-0.1 -0.902 34.1-117.5-127.3 157.0 35.9 -1.0 -7.1 66 84 A D > - 0 0 33 4,-3.2 3,-2.4 -2,-0.3 6,-0.1 -0.274 53.0 -80.0 -80.1-178.5 32.5 0.1 -8.4 67 85 A K T 3 S+ 0 0 201 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.606 132.2 56.6 -61.2 -10.2 31.3 -0.8 -11.8 68 86 A N T 3 S- 0 0 106 2,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.121 117.7-108.2-105.6 14.9 33.5 2.0 -13.2 69 87 A G S < S+ 0 0 40 -3,-2.4 -2,-0.1 1,-0.2 3,-0.1 0.414 82.6 121.5 76.7 -7.9 36.7 0.8 -11.8 70 88 A K S S- 0 0 125 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.2 -0.443 73.7 -88.6 -84.2 161.5 36.8 3.6 -9.2 71 89 A P B -I 65 0E 92 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.415 54.1 -91.6 -69.8 150.1 36.9 2.9 -5.4 72 90 A H - 0 0 35 -8,-0.8 2,-0.1 -10,-0.5 -8,-0.1 -0.141 41.0-101.2 -58.3 157.4 33.6 2.5 -3.6 73 91 A K - 0 0 146 1,-0.1 2,-0.1 -12,-0.1 -1,-0.1 -0.412 44.4-104.6 -72.9 152.2 31.8 5.4 -2.0 74 92 A L - 0 0 61 -13,-0.2 2,-0.4 -2,-0.1 -13,-0.2 -0.495 27.6-149.2 -79.8 153.5 32.2 5.6 1.8 75 93 A R E -G 60 0D 77 -15,-2.0 -15,-2.6 -2,-0.1 2,-0.3 -0.956 15.6-130.9-118.8 136.9 29.3 4.5 4.1 76 94 A L E -G 59 0D 93 -2,-0.4 2,-0.4 -17,-0.2 -17,-0.2 -0.698 21.9-174.7 -93.1 145.2 28.9 6.2 7.5 77 95 A Y E -G 58 0D 36 -19,-2.2 -19,-2.2 -2,-0.3 2,-0.2 -0.999 27.9-119.1-139.0 131.9 28.4 4.2 10.8 78 96 A S E -G 57 0D 12 -2,-0.4 18,-0.5 -21,-0.2 2,-0.3 -0.537 37.9-109.2 -67.5 144.3 27.7 5.7 14.2 79 97 A I - 0 0 0 -23,-2.5 -24,-0.4 -2,-0.2 82,-0.3 -0.574 27.4-165.3 -78.1 130.3 30.4 4.9 16.6 80 98 A A + 0 0 0 14,-2.9 2,-0.3 -2,-0.3 15,-0.2 0.402 64.7 73.1 -96.9 1.4 29.1 2.4 19.2 81 99 A S S S- 0 0 0 13,-0.6 80,-0.2 1,-0.1 2,-0.1 -0.815 83.6-113.2-115.1 153.7 31.9 2.8 21.7 82 100 A S > - 0 0 0 -2,-0.3 3,-0.8 78,-0.2 12,-0.1 -0.320 46.8 -89.0 -73.8 174.2 32.6 5.7 24.0 83 101 A A T 3 S+ 0 0 32 1,-0.3 -31,-0.2 78,-0.1 9,-0.1 0.805 130.3 47.6 -56.0 -39.6 35.8 7.8 23.4 84 102 A L T 3 S- 0 0 56 1,-0.1 6,-3.0 5,-0.1 5,-0.5 0.745 108.4-144.5 -73.3 -29.0 37.9 5.5 25.6 85 103 A G X - 0 0 1 -3,-0.8 3,-1.4 3,-0.2 -1,-0.1 -0.099 31.4 -53.6 94.5 172.7 36.5 2.4 23.9 86 104 A D T 3 S+ 0 0 30 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.712 138.6 42.0 -62.8 -23.4 35.6 -1.1 24.8 87 105 A F T 3 S- 0 0 117 -3,-0.3 -1,-0.3 5,-0.0 -2,-0.2 0.341 107.4-123.7-105.8 0.6 39.0 -1.6 26.3 88 106 A G S < S+ 0 0 44 -3,-1.4 -3,-0.2 -6,-0.1 -2,-0.1 0.555 85.1 99.0 69.7 16.0 39.3 1.8 28.1 89 107 A D S S- 0 0 81 -5,-0.5 -4,-0.2 -6,-0.0 -1,-0.1 0.359 86.6-120.8-114.6 4.9 42.5 2.9 26.4 90 108 A A S S+ 0 0 38 -6,-3.0 -5,-0.2 -8,-0.1 -40,-0.2 0.702 87.7 102.3 61.8 26.2 41.3 5.2 23.6 91 109 A K + 0 0 106 -7,-0.5 -45,-2.9 -44,-0.2 -44,-1.2 0.404 68.8 57.6-117.9 -0.7 43.0 3.0 21.0 92 110 A S E -F 45 0D 2 -8,-0.3 2,-0.3 -47,-0.2 -47,-0.2 -0.845 57.9-157.5-130.0 160.5 40.0 1.1 19.5 93 111 A V E -F 44 0D 0 -49,-2.1 -49,-3.1 -2,-0.3 2,-0.4 -0.989 12.5-152.1-136.1 138.3 36.6 2.0 17.9 94 112 A S E -F 43 0D 0 -2,-0.3 -14,-2.9 -51,-0.2 -13,-0.6 -0.937 5.8-163.2-119.4 143.6 33.6 -0.3 17.7 95 113 A L E -F 42 0D 0 -53,-2.3 -53,-2.2 -2,-0.4 2,-0.5 -0.876 13.9-146.4-122.0 153.0 30.8 -0.5 15.2 96 114 A C E -F 41 0D 7 -18,-0.5 2,-0.4 -2,-0.3 -55,-0.2 -0.981 30.8-178.0-117.3 110.3 27.3 -2.0 15.3 97 115 A V E -F 40 0D 2 -57,-2.9 -57,-2.8 -2,-0.5 2,-0.5 -0.950 22.7-152.6-125.1 127.3 26.4 -3.3 11.8 98 116 A K E -F 39 0D 115 -2,-0.4 2,-0.5 -59,-0.2 -59,-0.3 -0.808 29.3-121.6 -92.3 131.2 23.4 -5.0 10.4 99 117 A R - 0 0 32 -61,-2.9 2,-0.5 -2,-0.5 -61,-0.3 -0.635 27.9-143.2 -72.2 119.8 24.1 -7.3 7.4 100 118 A L + 0 0 90 -2,-0.5 12,-3.0 12,-0.2 2,-0.4 -0.780 29.7 162.9 -91.9 121.8 22.0 -5.9 4.5 101 119 A I E +J 111 0F 78 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.990 7.6 151.4-138.0 125.0 20.5 -8.5 2.1 102 120 A Y E -J 110 0F 118 8,-2.8 8,-3.8 -2,-0.4 2,-0.4 -0.838 38.5-111.8-143.1 178.6 17.6 -7.8 -0.3 103 121 A T E -J 109 0F 89 6,-0.3 6,-0.2 -2,-0.3 2,-0.1 -0.951 25.7-140.0-120.2 139.5 16.2 -9.0 -3.7 104 122 A N > - 0 0 44 4,-2.6 3,-1.9 -2,-0.4 6,-0.0 -0.200 41.8 -79.2 -85.7-174.7 16.2 -6.9 -6.8 105 123 A D T 3 S+ 0 0 163 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.870 128.6 55.0 -52.2 -44.3 13.5 -6.7 -9.5 106 124 A A T 3 S- 0 0 64 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.252 119.9-106.9 -76.7 10.4 14.5 -10.0 -11.1 107 125 A G S < S+ 0 0 57 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.645 74.7 142.4 74.1 12.7 14.1 -11.8 -7.8 108 126 A E - 0 0 116 1,-0.1 -4,-2.6 0, 0.0 2,-0.4 -0.670 55.5-112.4 -88.8 142.4 17.9 -12.1 -7.4 109 127 A T E -J 103 0F 94 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.616 32.5-169.0 -78.3 125.0 19.5 -11.8 -4.0 110 128 A I E -J 102 0F 52 -8,-3.8 -8,-2.8 -2,-0.4 2,-0.4 -0.931 8.7-151.6-116.2 134.7 21.7 -8.7 -3.6 111 129 A K E -J 101 0F 117 -2,-0.4 -10,-0.2 -10,-0.2 2,-0.2 -0.863 28.4-110.3-104.1 137.4 24.0 -8.2 -0.6 112 130 A G > - 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0 0 62 -4,-1.6 8,-2.5 -3,-0.2 2,-0.3 -0.959 55.0-172.4-129.0 146.5 4.4 -7.7 22.7 220 238 A T B -O 226 0H 93 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.913 18.7-130.4-132.0 154.4 1.0 -6.0 22.3 221 239 A N > - 0 0 30 4,-2.0 3,-1.3 -2,-0.3 11,-0.1 -0.408 49.4 -78.2 -92.6-178.9 -0.6 -3.1 24.2 222 240 A E T 3 S+ 0 0 177 1,-0.3 -2,-0.0 2,-0.2 -1,-0.0 0.857 132.0 52.0 -48.2 -48.8 -4.2 -3.3 25.6 223 241 A K T 3 S- 0 0 174 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.789 125.4-104.9 -59.7 -25.9 -6.0 -2.7 22.3 224 242 A G < + 0 0 44 -3,-1.3 -2,-0.2 1,-0.2 -1,-0.1 0.461 69.0 156.5 110.3 10.3 -3.8 -5.6 21.1 225 243 A E - 0 0 77 1,-0.1 -4,-2.0 -5,-0.1 -1,-0.2 -0.335 50.5 -96.3 -69.8 148.1 -1.5 -3.4 19.1 226 244 A K B -O 220 0H 92 -6,-0.2 2,-2.1 1,-0.1 -6,-0.2 -0.306 39.9-111.3 -61.9 142.2 2.1 -4.4 18.2 227 245 A M + 0 0 4 -8,-2.5 -11,-0.2 -11,-0.8 -1,-0.1 -0.475 51.6 165.5 -79.4 69.6 4.6 -3.0 20.6 228 246 A Y > - 0 0 117 -2,-2.1 4,-1.3 -13,-0.1 5,-0.2 -0.360 54.3 -96.3 -74.8 170.8 6.4 -0.5 18.4 229 247 A I H >> S+ 0 0 6 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.899 128.0 44.3 -59.6 -41.8 8.6 2.1 20.0 230 248 A Q H 3> S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.853 108.2 60.8 -71.5 -27.3 5.9 4.8 20.0 231 249 A T H 34 S+ 0 0 16 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.747 110.3 40.1 -67.4 -28.6 3.4 2.2 21.3 232 250 A R H << S+ 0 0 33 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.706 115.2 53.3 -88.0 -28.6 5.6 1.7 24.4 233 251 A M H >< S+ 0 0 4 -4,-1.5 3,-2.2 -5,-0.2 7,-0.2 0.834 97.9 62.1 -74.2 -38.2 6.3 5.5 24.7 234 252 A A G >< S+ 0 0 47 -4,-2.6 3,-1.2 1,-0.3 4,-0.3 0.774 92.3 67.7 -60.1 -26.2 2.5 6.5 24.6 235 253 A Q G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.669 111.3 33.1 -67.0 -19.4 2.3 4.5 27.8 236 254 A Y G <> S+ 0 0 46 -3,-2.2 4,-2.6 -4,-0.1 3,-0.4 0.122 84.9 122.6-122.7 16.8 4.5 7.2 29.4 237 255 A A H <> S+ 0 0 13 -3,-1.2 4,-2.8 1,-0.2 5,-0.4 0.892 72.3 49.5 -46.2 -58.6 3.1 10.1 27.3 238 256 A V H > S+ 0 0 120 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.879 116.1 45.2 -52.3 -39.6 1.9 12.3 30.1 239 257 A E H > S+ 0 0 79 -3,-0.4 4,-1.3 2,-0.2 -2,-0.2 0.877 116.0 43.4 -71.4 -43.8 5.4 11.9 31.8 240 258 A L H X S+ 0 0 5 -4,-2.6 4,-2.4 -7,-0.2 -2,-0.2 0.843 112.9 51.1 -70.8 -41.0 7.5 12.5 28.6 241 259 A W H X S+ 0 0 7 -4,-2.8 4,-0.6 -5,-0.3 -2,-0.2 0.915 110.8 50.3 -65.0 -38.9 5.5 15.4 27.4 242 260 A E H >< S+ 0 0 105 -4,-1.4 3,-0.7 -5,-0.4 4,-0.2 0.864 109.1 52.5 -67.8 -32.3 5.9 16.9 30.8 243 261 A M H >< S+ 0 0 19 -4,-1.3 3,-1.8 1,-0.2 -2,-0.2 0.906 102.2 58.4 -69.1 -38.2 9.7 16.2 30.5 244 262 A L H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.600 94.1 67.6 -65.5 -16.0 9.9 18.0 27.2 245 263 A K T << S+ 0 0 80 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.3 0.634 86.2 87.2 -78.6 -13.5 8.5 21.2 28.9 246 264 A K S X S- 0 0 89 -3,-1.8 3,-1.4 -4,-0.2 -3,-0.0 -0.687 75.8-136.2 -93.4 141.9 11.7 21.5 30.9 247 265 A D T 3 S+ 0 0 112 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.761 101.5 57.6 -64.3 -28.9 14.8 23.4 29.7 248 266 A N T 3 S+ 0 0 57 -5,-0.1 -102,-2.9 -104,-0.1 2,-0.5 0.143 84.5 103.9 -91.3 21.2 17.3 20.7 31.0 249 267 A T E < -l 146 0G 0 -3,-1.4 2,-0.4 -104,-0.2 -102,-0.2 -0.887 49.7-170.1-105.5 132.3 15.6 17.9 28.9 250 268 A Y E -l 147 0G 11 -104,-2.8 -102,-2.6 -2,-0.5 2,-0.5 -0.988 6.8-155.9-126.3 123.9 17.3 16.7 25.7 251 269 A F E -ln 148 291G 6 39,-3.7 41,-3.2 -2,-0.4 2,-0.4 -0.859 11.0-177.0-100.8 128.3 15.7 14.3 23.2 252 270 A Y E -ln 149 292G 2 -104,-2.5 -102,-2.2 -2,-0.5 2,-0.4 -0.987 0.9-174.9-124.3 134.4 17.8 12.1 20.9 253 271 A M E +ln 150 293G 4 39,-2.9 41,-2.4 -2,-0.4 2,-0.4 -0.986 8.8 167.8-129.7 134.6 16.4 9.8 18.2 254 272 A C E +ln 151 294G 0 -104,-2.3 -102,-1.6 -2,-0.4 2,-0.4 -0.994 30.6 49.2-150.6 134.5 18.3 7.4 16.1 255 273 A G E S+ n 0 295G 0 39,-1.8 41,-2.2 -2,-0.4 2,-0.3 -0.999 83.7 16.6 150.3-144.7 17.6 4.5 13.8 256 274 A L > - 0 0 82 -2,-0.4 3,-1.6 39,-0.2 4,-0.4 -0.487 66.7-122.0 -71.8 129.3 15.4 3.7 10.8 257 275 A K T >> S+ 0 0 123 39,-2.2 3,-1.1 1,-0.3 4,-0.6 0.754 105.8 70.5 -37.0 -38.1 13.8 6.7 9.0 258 276 A G H >> S+ 0 0 56 1,-0.2 3,-1.3 38,-0.2 4,-0.9 0.908 84.3 65.8 -50.5 -49.7 10.4 5.3 9.7 259 277 A M H <> S+ 0 0 13 -3,-1.6 4,-1.3 1,-0.3 5,-0.3 0.751 87.6 69.6 -47.7 -32.9 10.4 6.0 13.5 260 278 A E H <> S+ 0 0 50 -3,-1.1 4,-1.7 -4,-0.4 3,-0.5 0.918 99.7 47.6 -53.9 -48.8 10.4 9.7 13.0 261 279 A K H <>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 3,-1.7 0.926 109.8 50.0 -69.6 -43.4 0.5 19.1 22.1 272 290 A A H ><5S+ 0 0 63 -4,-2.0 3,-3.2 1,-0.3 -1,-0.2 0.910 100.1 66.9 -61.8 -39.2 -2.9 20.1 20.5 273 291 A A T 3<5S+ 0 0 86 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.679 108.2 39.6 -53.5 -20.6 -4.6 18.9 23.7 274 292 A E T < 5S- 0 0 99 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.185 126.0 -99.3-114.9 13.8 -2.9 21.8 25.4 275 293 A G T < 5S+ 0 0 73 -3,-3.2 2,-0.4 1,-0.2 -3,-0.2 0.703 79.7 135.0 75.6 25.4 -3.3 24.3 22.6 276 294 A I < - 0 0 60 -5,-2.7 2,-0.8 -6,-0.1 -1,-0.2 -0.866 55.4-134.4-112.0 136.7 0.2 23.9 21.2 277 295 A D >> - 0 0 91 -2,-0.4 4,-2.5 1,-0.2 3,-0.5 -0.817 16.1-157.4 -86.3 106.8 1.2 23.5 17.6 278 296 A W H 3> S+ 0 0 4 -2,-0.8 4,-3.3 -10,-0.2 5,-0.3 0.828 89.0 59.9 -55.4 -37.4 3.7 20.6 17.6 279 297 A I H 3> S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.918 112.6 37.4 -62.0 -39.0 5.3 21.8 14.4 280 298 A E H <> S+ 0 0 80 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.837 116.9 51.6 -80.1 -35.5 6.3 25.1 15.9 281 299 A Y H X S+ 0 0 35 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.954 109.7 49.5 -64.7 -47.7 7.1 23.7 19.2 282 300 A K H X S+ 0 0 22 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.928 108.3 54.9 -56.4 -43.5 9.4 21.0 17.6 283 301 A R H X S+ 0 0 110 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.925 108.8 47.2 -57.4 -43.3 11.1 23.8 15.7 284 302 A Q H X S+ 0 0 94 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.867 111.3 51.4 -67.2 -37.1 11.8 25.7 18.9 285 303 A L H <>S+ 0 0 5 -4,-2.3 5,-2.7 2,-0.2 6,-0.7 0.903 109.4 49.6 -64.8 -42.3 13.1 22.5 20.5 286 304 A K H ><5S+ 0 0 103 -4,-2.8 3,-1.3 4,-0.2 -2,-0.2 0.885 110.0 51.4 -62.4 -39.5 15.5 21.9 17.6 287 305 A K H 3<5S+ 0 0 160 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.817 109.6 49.5 -67.2 -32.4 16.8 25.5 17.7 288 306 A A T 3<5S- 0 0 26 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.275 116.7-115.9 -87.9 4.6 17.5 25.0 21.5 289 307 A E T < 5S+ 0 0 41 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.755 85.9 115.4 66.1 28.9 19.3 21.8 20.8 290 308 A Q < + 0 0 13 -5,-2.7 -39,-3.7 1,-0.2 2,-0.5 0.470 65.2 57.8-102.1 -9.8 16.8 19.7 22.7 291 309 A W E +n 251 0G 6 -6,-0.7 2,-0.5 -41,-0.2 -1,-0.2 -0.911 68.0 174.8-127.8 104.5 15.5 17.7 19.8 292 310 A N E -n 252 0G 3 -41,-3.2 -39,-2.9 -2,-0.5 2,-0.4 -0.938 3.3-179.1-119.9 124.2 18.2 15.7 18.0 293 311 A V E +n 253 0G 27 -2,-0.5 2,-0.3 -41,-0.2 -39,-0.2 -0.956 17.6 170.5-130.5 137.3 17.6 13.3 15.3 294 312 A L E +n 254 0G 55 -41,-2.4 -39,-1.8 -2,-0.4 2,-0.4 -0.896 20.6 161.9-140.3 103.3 19.7 11.0 13.1 295 313 A V E n 255 0G 16 -2,-0.3 -39,-0.2 -41,-0.2 -2,-0.0 -0.957 360.0 360.0-125.9 153.0 17.7 8.5 10.9 296 314 A Y 0 0 136 -41,-2.2 -39,-2.2 -2,-0.4 -38,-0.2 -0.872 360.0 360.0-154.6 360.0 18.7 6.5 7.9