==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-SEP-04 1WQL . COMPND 2 MOLECULE: IRON-SULFUR PROTEIN LARGE SUBUNIT OF CUMENE DIOXY . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR X.DONG,S.FUSHINOBU,E.FUKUDA,T.TERADA,S.NAKAMURA,K.SHIMIZU,H. . 618 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 22.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 47 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 4 2 0 1 1 0 3 1 0 0 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 2 5 4 3 5 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 3 0 1 0 1 0 1 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 N 0 0 150 0, 0.0 2,-0.5 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0-157.6 36.4 44.3 42.3 2 20 A W - 0 0 47 4,-0.0 2,-0.1 3,-0.0 3,-0.0 -0.638 360.0-153.6 -85.3 123.4 33.5 46.7 43.0 3 21 A S > - 0 0 41 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.476 29.5-116.3 -82.9 155.6 33.5 49.4 45.8 4 22 A D H > S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.889 117.3 53.8 -58.3 -37.8 30.3 50.5 47.3 5 23 A E H > S+ 0 0 134 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 109.4 46.2 -62.6 -44.9 30.9 54.0 45.9 6 24 A E H 4 S+ 0 0 100 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.888 113.2 50.7 -65.4 -39.5 31.4 52.7 42.4 7 25 A I H >< S+ 0 0 1 -4,-2.5 3,-2.0 1,-0.2 4,-0.3 0.962 108.8 49.9 -62.6 -51.9 28.3 50.5 42.7 8 26 A K H >< S+ 0 0 79 -4,-2.9 3,-1.2 1,-0.3 -1,-0.2 0.838 105.1 59.9 -56.6 -33.3 26.2 53.4 43.9 9 27 A A T 3< S+ 0 0 81 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.598 83.5 80.5 -72.6 -10.8 27.4 55.5 40.9 10 28 A L T < S+ 0 0 7 -3,-2.0 9,-2.3 -4,-0.4 2,-0.4 0.717 95.8 48.5 -68.1 -19.7 26.0 52.9 38.5 11 29 A V E < -A 18 0A 13 -3,-1.2 2,-0.9 -4,-0.3 7,-0.2 -0.982 64.6-163.0-127.4 124.7 22.6 54.6 39.0 12 30 A D E >> -A 17 0A 49 5,-2.7 4,-2.1 -2,-0.4 5,-1.5 -0.848 9.8-178.2-106.0 94.0 21.8 58.3 38.8 13 31 A E T 45S+ 0 0 48 -2,-0.9 -1,-0.2 3,-0.2 408,-0.1 0.806 78.9 49.2 -60.0 -34.0 18.4 58.5 40.5 14 32 A E T 45S+ 0 0 161 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.960 121.2 28.3 -74.8 -55.3 18.2 62.2 39.9 15 33 A K T 45S- 0 0 135 2,-0.1 -2,-0.2 379,-0.0 -1,-0.1 0.730 108.2-120.6 -79.2 -21.8 19.1 62.6 36.2 16 34 A G T <5 + 0 0 1 -4,-2.1 373,-2.6 1,-0.2 2,-0.4 0.967 55.1 153.3 80.1 61.4 17.7 59.1 35.5 17 35 A L E < -AB 12 388A 54 -5,-1.5 -5,-2.7 371,-0.2 2,-0.5 -0.989 25.7-163.5-128.7 130.2 20.7 57.4 34.1 18 36 A L E -AB 11 387A 10 369,-1.8 369,-2.9 -2,-0.4 -7,-0.2 -0.946 18.7-134.5-116.8 126.4 21.5 53.7 34.1 19 37 A D > - 0 0 31 -9,-2.3 3,-2.0 -2,-0.5 4,-0.2 -0.675 18.4-139.9 -76.5 120.4 24.9 52.1 33.5 20 38 A P G > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.749 93.4 76.4 -51.5 -28.5 24.2 49.2 31.1 21 39 A R G >> S+ 0 0 95 362,-0.4 4,-3.1 1,-0.3 3,-1.0 0.733 75.7 73.9 -59.7 -23.9 26.7 47.0 33.0 22 40 A I G <4 S+ 0 0 3 -3,-2.0 -1,-0.3 1,-0.3 178,-0.1 0.771 100.0 47.4 -62.3 -21.1 24.2 46.4 35.8 23 41 A F G <4 S+ 0 0 1 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.604 125.6 24.8 -93.5 -13.4 22.4 44.1 33.4 24 42 A S T <4 S+ 0 0 24 -3,-1.0 2,-0.2 -4,-0.4 -2,-0.2 0.661 83.4 111.9-124.7 -24.9 25.4 42.2 32.2 25 43 A D X - 0 0 37 -4,-3.1 4,-1.5 1,-0.2 5,-0.1 -0.382 47.7-158.0 -63.0 123.1 28.3 42.2 34.7 26 44 A Q H > S+ 0 0 103 -2,-0.2 4,-2.0 2,-0.2 5,-0.2 0.876 92.4 52.5 -66.7 -41.0 28.9 38.8 36.2 27 45 A D H > S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 109.0 49.8 -62.8 -43.3 30.6 40.2 39.4 28 46 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 107.6 55.9 -63.7 -33.9 27.7 42.5 40.0 29 47 A Y H X S+ 0 0 5 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.922 105.0 50.5 -63.8 -43.6 25.4 39.5 39.6 30 48 A E H X S+ 0 0 114 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.885 110.7 50.5 -61.4 -37.3 27.2 37.6 42.3 31 49 A I H X S+ 0 0 24 -4,-1.8 4,-3.9 1,-0.2 5,-0.5 0.888 105.2 57.0 -68.1 -38.0 26.8 40.6 44.5 32 50 A E H X>S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 5,-2.2 0.912 103.1 53.8 -58.5 -43.4 23.1 40.7 43.8 33 51 A L H <>S+ 0 0 37 -4,-2.0 5,-1.2 3,-0.2 -1,-0.2 0.880 118.8 36.1 -59.1 -36.6 22.7 37.2 45.1 34 52 A E H <5S+ 0 0 131 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.946 130.1 27.2 -81.7 -52.9 24.4 38.3 48.3 35 53 A R H <5S+ 0 0 46 -4,-3.9 -3,-0.2 -5,-0.1 -2,-0.2 0.606 134.2 24.0 -90.3 -12.6 23.1 41.8 48.8 36 54 A V T ><5S+ 0 0 0 -4,-2.6 3,-1.1 -5,-0.5 4,-0.4 0.749 126.5 32.0-113.2 -67.2 19.7 41.6 47.0 37 55 A F G > -C 150 0B 5 -2,-0.3 3,-2.6 104,-0.2 4,-0.5 -0.895 41.5-114.9-125.0 151.2 0.1 31.5 47.0 47 65 A E G > S+ 0 0 60 102,-2.8 3,-1.2 -2,-0.3 103,-0.1 0.812 114.1 66.5 -55.2 -29.9 -1.3 29.9 50.2 48 66 A G G 3 S+ 0 0 36 1,-0.2 -1,-0.3 101,-0.2 4,-0.1 0.592 86.6 69.8 -68.5 -10.2 -3.6 27.9 47.9 49 67 A H G < S+ 0 0 41 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.799 114.5 24.2 -75.9 -28.7 -0.5 26.1 46.6 50 68 A I S < S+ 0 0 1 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 -0.527 74.6 151.3-135.9 67.2 -0.1 24.3 49.9 51 69 A P + 0 0 58 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.872 57.3 57.9 -67.0 -41.8 -3.6 24.2 51.6 52 70 A K S > S- 0 0 141 1,-0.1 3,-2.2 -4,-0.1 18,-0.3 -0.595 96.6 -90.9 -96.6 155.8 -3.2 21.1 53.7 53 71 A A T 3 S+ 0 0 29 1,-0.3 18,-0.2 -2,-0.2 19,-0.1 -0.381 116.4 24.3 -59.6 132.1 -0.7 20.1 56.4 54 72 A G T 3 S+ 0 0 0 16,-2.9 44,-2.9 1,-0.4 -1,-0.3 0.216 89.3 134.2 95.3 -16.3 2.2 18.3 54.8 55 73 A D E < -E 97 0C 25 -3,-2.2 15,-2.6 42,-0.3 -1,-0.4 -0.471 34.2-177.0 -68.2 137.0 1.5 19.9 51.4 56 74 A Y E -EF 96 69C 13 40,-2.8 40,-1.5 13,-0.2 2,-0.3 -0.926 23.0-161.7-138.4 162.7 4.7 21.2 49.8 57 75 A L E -EF 95 68C 15 11,-2.3 11,-2.8 -2,-0.3 2,-0.6 -0.995 15.7-142.1-140.9 137.0 6.0 23.1 46.8 58 76 A T E + F 0 67C 9 36,-2.1 9,-0.2 -2,-0.3 2,-0.2 -0.917 43.1 131.8-104.8 124.1 9.6 23.2 45.5 59 77 A T E - F 0 66C 3 7,-2.2 7,-2.9 -2,-0.6 2,-0.3 -0.650 43.8 -88.7-145.3-156.9 10.7 26.6 44.2 60 78 A Y E - F 0 65C 41 5,-0.3 2,-0.3 -2,-0.2 3,-0.1 -0.876 8.0-162.2-132.4 162.5 13.6 29.1 44.4 61 79 A M E > S- F 0 64C 2 3,-1.6 3,-1.6 -2,-0.3 2,-0.6 -0.869 88.3 -45.3-137.3 92.4 14.9 32.1 46.3 62 80 A G T 3 S- 0 0 2 -2,-0.3 -29,-0.0 1,-0.3 -24,-0.0 -0.687 123.0 -30.4 76.4-122.0 17.4 33.6 43.9 63 81 A E T 3 S+ 0 0 80 -2,-0.6 -1,-0.3 -3,-0.1 258,-0.0 0.214 115.0 107.3-112.5 14.5 19.3 30.4 42.7 64 82 A D E < -F 61 0C 73 -3,-1.6 -3,-1.6 16,-0.0 2,-0.2 -0.820 68.1-135.4 -93.8 119.1 18.8 28.6 46.0 65 83 A P E -F 60 0C 20 0, 0.0 16,-3.3 0, 0.0 2,-0.3 -0.554 30.2-174.9 -74.0 138.5 16.3 25.8 45.7 66 84 A V E -FG 59 80C 0 -7,-2.9 -7,-2.2 14,-0.3 2,-0.5 -0.945 24.6-132.2-135.4 157.2 13.9 25.7 48.6 67 85 A I E -FG 58 79C 0 12,-2.8 12,-1.7 -2,-0.3 2,-0.5 -0.923 16.6-161.8-108.6 131.3 11.0 23.6 50.0 68 86 A V E +FG 57 78C 1 -11,-2.8 -11,-2.3 -2,-0.5 2,-0.4 -0.969 20.1 173.0-114.3 117.4 7.8 25.3 51.0 69 87 A V E -FG 56 77C 0 8,-2.4 8,-2.2 -2,-0.5 2,-0.3 -0.985 32.7-124.9-138.3 137.4 5.7 23.2 53.3 70 88 A R E - G 0 76C 7 -15,-2.6 -16,-2.9 -2,-0.4 6,-0.2 -0.577 30.5-143.1 -75.2 128.8 2.5 23.6 55.3 71 89 A Q > - 0 0 16 4,-3.2 3,-1.7 -2,-0.3 -16,-0.1 -0.438 23.8-109.2 -88.4 165.7 2.9 22.7 59.0 72 90 A K T 3 S+ 0 0 140 1,-0.3 -19,-0.1 2,-0.1 -1,-0.1 0.845 120.3 57.6 -63.1 -34.1 0.3 20.9 61.2 73 91 A D T 3 S- 0 0 116 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.307 122.3-108.7 -80.1 11.4 -0.2 24.2 63.1 74 92 A R S < S+ 0 0 125 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.348 80.9 125.9 79.4 -5.7 -1.1 25.8 59.8 75 93 A S - 0 0 44 -5,-0.1 -4,-3.2 1,-0.0 2,-0.4 -0.263 57.8-123.0 -76.5 171.4 2.1 27.8 59.7 76 94 A I E -G 70 0C 21 -6,-0.2 2,-0.4 68,-0.1 -6,-0.2 -0.972 20.5-165.2-122.7 130.8 4.5 27.7 56.7 77 95 A K E -G 69 0C 76 -8,-2.2 -8,-2.4 -2,-0.4 2,-0.4 -0.890 1.2-168.2-113.9 144.9 8.1 26.7 56.8 78 96 A V E +GH 68 142C 0 64,-0.6 64,-3.2 -2,-0.4 2,-0.3 -0.988 15.2 163.7-134.4 122.6 10.7 27.3 54.1 79 97 A F E -GH 67 141C 0 -12,-1.7 -12,-2.8 -2,-0.4 62,-0.2 -0.956 44.6 -79.6-139.6 158.5 14.1 25.7 54.0 80 98 A L E -G 66 0C 18 60,-2.4 2,-2.0 -2,-0.3 -14,-0.3 -0.304 32.8-136.0 -57.1 127.9 17.0 25.1 51.6 81 99 A N S S+ 0 0 2 -16,-3.3 2,-0.3 -22,-0.2 -1,-0.1 -0.371 75.1 101.7 -83.9 58.4 16.4 22.1 49.4 82 100 A Q S S- 0 0 84 -2,-2.0 2,-0.4 7,-0.2 7,-0.2 -0.966 71.3-130.9-146.5 125.0 20.0 21.0 50.0 83 101 A C > - 0 0 2 5,-2.7 4,-2.2 -2,-0.3 3,-0.2 -0.618 15.4-141.2 -77.1 128.4 21.2 18.2 52.3 84 102 A R T 4 S+ 0 0 126 53,-0.5 -1,-0.1 -2,-0.4 54,-0.1 0.591 90.9 73.4 -67.8 -9.5 24.1 19.5 54.5 85 103 A H T 4 S- 0 0 50 52,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.992 131.3 -24.2 -67.3 -62.4 26.0 16.2 54.2 86 104 A R T 4 S- 0 0 178 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.267 94.8 -97.0-135.1 7.6 27.2 16.5 50.6 87 105 A G < + 0 0 32 -4,-2.2 -3,-0.1 1,-0.2 3,-0.1 0.557 62.3 160.5 89.8 9.8 24.6 18.9 49.1 88 106 A M - 0 0 47 -5,-0.2 -5,-2.7 -6,-0.1 2,-0.4 -0.226 50.5 -99.1 -63.3 152.0 22.2 16.6 47.4 89 107 A R - 0 0 85 -7,-0.2 15,-0.4 1,-0.2 -7,-0.2 -0.612 31.3-157.5 -74.2 127.1 18.7 17.8 46.5 90 108 A I S S+ 0 0 6 -2,-0.4 2,-0.5 1,-0.2 12,-0.4 0.919 77.3 27.8 -73.3 -46.7 16.3 16.6 49.3 91 109 A E + 0 0 28 10,-0.1 -1,-0.2 1,-0.1 12,-0.1 -0.963 58.0 176.2-123.0 117.2 13.0 16.8 47.4 92 110 A R + 0 0 160 -2,-0.5 2,-0.2 -3,-0.2 -1,-0.1 0.421 53.1 94.1 -99.8 0.8 13.0 16.3 43.6 93 111 A S S S- 0 0 6 1,-0.1 403,-0.2 401,-0.0 3,-0.1 -0.591 76.3-127.5 -89.9 157.2 9.2 16.4 43.0 94 112 A D S S- 0 0 23 401,-2.6 -36,-2.1 1,-0.2 2,-0.3 0.806 77.8 -32.0 -73.1 -32.7 7.5 19.7 42.0 95 113 A F E S+E 57 0C 73 400,-0.5 2,-0.3 -38,-0.2 -38,-0.2 -0.953 73.5 122.0-171.6 176.5 4.8 19.5 44.7 96 114 A G E -E 56 0C 11 -40,-1.5 -40,-2.8 -2,-0.3 2,-0.4 -0.973 58.9 -63.8 150.1-162.9 2.7 17.1 46.7 97 115 A N E -E 55 0C 83 -2,-0.3 2,-0.3 -42,-0.3 -42,-0.3 -0.992 50.5-176.8-126.2 125.6 1.9 16.0 50.3 98 116 A A - 0 0 13 -44,-2.9 3,-0.1 -2,-0.4 14,-0.1 -0.878 34.8-166.8-126.5 157.0 4.6 14.5 52.4 99 117 A K S S- 0 0 178 1,-0.4 13,-0.4 -2,-0.3 2,-0.3 0.441 87.9 -5.1-109.8 -11.5 5.1 13.0 55.9 100 118 A S - 0 0 62 11,-0.2 2,-0.4 -46,-0.1 -1,-0.4 -0.971 63.7-126.3-170.7 167.9 8.8 13.3 55.5 101 119 A F E -I 110 0D 1 9,-2.4 9,-3.5 -2,-0.3 2,-0.4 -0.995 23.6-164.1-128.7 134.1 11.6 14.2 53.1 102 120 A T E -I 109 0D 66 -2,-0.4 2,-0.7 -12,-0.4 7,-0.2 -0.973 17.7-141.5-129.2 131.2 14.5 11.9 52.3 103 121 A C > - 0 0 3 5,-2.9 4,-1.4 -2,-0.4 3,-0.2 -0.763 14.3-157.8 -83.8 118.9 17.9 12.5 50.7 104 122 A T T 4 S+ 0 0 99 -2,-0.7 -1,-0.1 -15,-0.4 -14,-0.1 0.469 78.4 77.1 -80.0 -0.4 18.5 9.5 48.5 105 123 A Y T 4 S- 0 0 142 -16,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.974 126.6 -10.8 -72.6 -55.0 22.3 9.9 48.5 106 124 A H T 4 S- 0 0 80 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.217 99.2-104.9-129.4 12.7 23.0 8.6 52.0 107 125 A G < + 0 0 24 -4,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.565 54.2 165.7 78.4 9.6 19.4 8.3 53.4 108 126 A W - 0 0 15 -5,-0.2 -5,-2.9 11,-0.1 2,-0.3 -0.437 25.1-152.4 -60.3 126.4 19.4 11.3 55.7 109 127 A A E -IJ 102 118D 15 9,-2.9 8,-2.0 -7,-0.2 9,-1.7 -0.843 12.4-165.9-109.6 145.8 15.7 11.8 56.5 110 128 A Y E -IJ 101 116D 0 -9,-3.5 -9,-2.4 -2,-0.3 6,-0.2 -0.883 16.3-127.1-127.2 154.8 13.8 15.0 57.5 111 129 A D > - 0 0 44 4,-1.9 3,-2.1 -2,-0.3 -11,-0.2 -0.399 45.6 -89.9 -90.8 176.5 10.4 15.9 59.0 112 130 A T T 3 S+ 0 0 20 -13,-0.4 -35,-0.2 1,-0.3 -58,-0.1 0.482 127.0 58.8 -67.5 -0.4 8.0 18.4 57.4 113 131 A A T 3 S- 0 0 13 2,-0.1 -1,-0.3 -37,-0.0 -35,-0.1 0.446 120.2-106.4-103.7 -5.6 9.7 21.2 59.5 114 132 A G < + 0 0 1 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.625 69.8 146.6 90.5 13.2 13.1 20.5 57.9 115 133 A N - 0 0 87 23,-0.1 -4,-1.9 1,-0.1 2,-0.9 -0.671 55.3-120.9 -84.3 137.1 14.6 18.9 61.0 116 134 A L E +J 110 0D 9 18,-0.4 -6,-0.3 -2,-0.3 21,-0.1 -0.694 43.7 164.9 -76.1 109.1 17.1 16.1 60.4 117 135 A V E + 0 0 72 -8,-2.0 2,-0.4 -2,-0.9 -7,-0.2 0.595 55.4 35.5-105.6 -14.4 15.4 13.2 62.2 118 136 A N E +J 109 0D 86 -9,-1.7 -9,-2.9 16,-0.1 -1,-0.2 -0.949 48.3 177.8-149.3 128.0 17.2 10.2 60.9 119 137 A V > - 0 0 3 -2,-0.4 3,-1.7 -11,-0.2 4,-0.2 -0.974 37.5-120.3-124.8 110.5 20.8 9.4 60.0 120 138 A P T 3 S+ 0 0 46 0, 0.0 5,-0.1 0, 0.0 -12,-0.1 -0.206 94.5 2.6 -51.2 138.6 21.4 5.8 58.9 121 139 A Y T 3>>S+ 0 0 176 1,-0.1 4,-2.9 3,-0.1 5,-0.5 0.765 84.1 153.3 53.4 30.7 24.0 4.1 61.1 122 140 A E H <>>S+ 0 0 18 -3,-1.7 4,-2.6 1,-0.2 5,-0.6 0.938 71.5 41.4 -53.7 -53.7 24.3 7.2 63.3 123 141 A K H 45S+ 0 0 136 1,-0.2 4,-0.3 -4,-0.2 -1,-0.2 0.822 118.8 46.1 -66.3 -32.2 25.4 5.3 66.4 124 142 A E H 45S+ 0 0 139 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.838 127.5 23.5 -80.2 -33.4 27.7 3.0 64.5 125 143 A A H <5S+ 0 0 77 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.776 128.3 37.7-104.5 -32.2 29.5 5.6 62.4 126 144 A F T < - 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S 0 317F 2 -16,-2.8 -16,-2.8 -2,-0.3 2,-0.4 -0.928 28.4-114.2-150.7 170.7 0.2 31.5 38.2 334 356 A I E - S 0 316F 1 -147,-0.4 -147,-3.2 -2,-0.3 2,-0.3 -0.947 20.8-161.6-119.1 131.5 -3.4 32.9 38.1 335 357 A V E +K 186 0E 0 -20,-1.9 2,-0.3 -2,-0.4 -149,-0.2 -0.847 10.5 178.4-110.5 147.8 -5.3 34.2 41.1 336 358 A V E -K 185 0E 4 -151,-2.5 -151,-3.3 -2,-0.3 2,-0.2 -0.961 41.6 -86.9-142.0 156.6 -9.1 34.6 41.3 337 359 A D E > -K 184 0E 8 -2,-0.3 3,-1.5 -153,-0.2 -153,-0.3 -0.500 36.8-134.4 -66.2 132.8 -11.6 35.8 43.9 338 360 A A T 3 S+ 0 0 22 -155,-2.4 -1,-0.1 1,-0.3 -154,-0.1 0.858 103.8 42.0 -56.8 -40.4 -12.5 32.7 46.0 339 361 A D T 3 S+ 0 0 89 -156,-0.4 -1,-0.3 2,-0.0 3,-0.1 0.297 87.0 124.0 -92.6 10.6 -16.2 33.6 46.0 340 362 A A S < S- 0 0 6 -3,-1.5 5,-0.1 1,-0.1 -4,-0.0 -0.352 76.9 -88.6 -68.5 151.1 -16.3 34.6 42.3 341 363 A P >> - 0 0 64 0, 0.0 4,-2.0 0, 0.0 3,-1.5 -0.322 35.8-119.5 -58.9 142.0 -18.8 32.7 40.1 342 364 A E H 3> S+ 0 0 141 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.841 115.1 54.7 -53.2 -35.5 -17.3 29.6 38.6 343 365 A D H 3> S+ 0 0 89 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.752 106.6 52.1 -71.8 -21.9 -17.8 30.9 35.1 344 366 A I H <> S+ 0 0 11 -3,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.884 108.8 49.5 -78.0 -39.9 -15.9 34.0 36.0 345 367 A K H X S+ 0 0 25 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.902 111.6 49.6 -63.3 -40.8 -13.0 31.9 37.3 346 368 A E H X S+ 0 0 69 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.892 108.9 51.9 -65.3 -40.6 -13.0 29.9 34.1 347 369 A E H X S+ 0 0 33 -4,-1.5 4,-2.7 1,-0.2 5,-0.3 0.920 109.5 49.7 -63.3 -43.2 -13.0 33.1 32.0 348 370 A Y H X S+ 0 0 6 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.880 110.3 52.0 -61.9 -38.4 -10.0 34.4 34.0 349 371 A R H X S+ 0 0 10 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.969 114.3 40.3 -62.2 -55.1 -8.2 31.1 33.4 350 372 A R H X S+ 0 0 97 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.907 114.5 51.0 -63.3 -45.2 -8.7 31.1 29.6 351 373 A K H X S+ 0 0 53 -4,-2.7 4,-1.9 -5,-0.2 5,-0.3 0.898 111.1 50.2 -60.8 -39.5 -8.0 34.8 29.1 352 374 A N H X>S+ 0 0 0 -4,-1.9 4,-0.7 -5,-0.3 5,-0.5 0.916 110.0 48.5 -64.9 -44.5 -4.8 34.5 31.1 353 375 A I H <5S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.916 114.0 49.0 -60.5 -42.1 -3.6 31.4 29.0 354 376 A F H <5S+ 0 0 15 -4,-2.4 7,-2.9 -5,-0.2 -1,-0.2 0.813 127.4 18.6 -67.2 -33.4 -4.4 33.4 25.9 355 377 A T H <5S+ 0 0 0 -4,-1.9 8,-2.1 5,-0.3 7,-2.0 0.888 129.5 23.2-106.1 -64.8 -2.6 36.6 26.9 356 378 A F T <5S+ 0 0 14 -4,-0.7 2,-0.3 -5,-0.3 -3,-0.2 0.080 93.1 98.5-101.5 25.3 0.0 36.5 29.6 357 379 A N S > S- 0 0 0 -3,-3.4 4,-1.2 1,-0.1 -1,-0.4 -0.319 74.1-111.2 -77.1 162.7 0.2 34.1 24.9 361 383 A T T 4 S+ 0 0 13 -7,-2.9 -6,-0.2 2,-0.1 -137,-0.1 0.498 113.7 30.2 -73.5 -4.4 -0.5 37.0 22.5 362 384 A Y T >> S+ 0 0 7 -7,-2.0 4,-1.0 -5,-0.2 3,-1.0 0.714 113.0 55.7-114.7 -57.5 1.0 39.6 24.9 363 385 A E H >> S+ 0 0 5 -8,-2.1 4,-1.8 1,-0.3 3,-0.5 0.816 101.2 59.2 -48.7 -42.1 3.7 37.8 27.0 364 386 A Q H 3X S+ 0 0 7 -4,-1.2 4,-1.4 -9,-0.3 -1,-0.3 0.886 104.9 49.1 -60.5 -38.1 5.7 36.7 23.9 365 387 A D H <> S+ 0 0 1 -3,-1.0 4,-1.0 -5,-0.2 -1,-0.2 0.741 105.8 60.3 -72.7 -20.8 6.2 40.2 22.7 366 388 A D H XX S+ 0 0 2 -4,-1.0 4,-1.2 -3,-0.5 3,-0.5 0.955 107.9 41.8 -68.8 -51.0 7.3 41.2 26.2 367 389 A G H 3X S+ 0 0 9 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.812 101.8 72.2 -65.8 -30.2 10.3 38.8 26.2 368 390 A E H 3X S+ 0 0 21 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.892 101.4 43.1 -52.3 -44.9 11.1 39.7 22.6 369 391 A N H < S+ 0 0 11 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.898 107.8 53.8 -62.5 -42.3 20.5 41.3 26.4 375 397 A R H >< S+ 0 0 102 -4,-2.0 3,-1.4 1,-0.2 4,-0.2 0.905 105.7 53.9 -58.2 -45.1 22.1 40.2 23.1 376 398 A G H >< S+ 0 0 39 -4,-1.8 3,-1.8 1,-0.3 -1,-0.2 0.776 90.8 74.8 -62.6 -27.5 23.2 43.7 22.4 377 399 A L T << S+ 0 0 14 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.465 75.7 78.9 -68.2 0.4 25.0 44.1 25.7 378 400 A R T < S+ 0 0 220 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.826 77.7 93.2 -73.7 -30.5 27.8 41.8 24.4 379 401 A G S <> S- 0 0 33 -3,-1.8 4,-0.7 -4,-0.2 5,-0.1 -0.345 74.0-142.6 -66.6 140.2 29.1 44.9 22.6 380 402 A Y T >4 S+ 0 0 167 2,-0.2 3,-1.0 1,-0.2 4,-0.3 0.945 103.9 43.3 -66.5 -50.8 31.7 47.1 24.4 381 403 A K G >> S+ 0 0 158 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.854 106.6 63.4 -64.5 -32.8 30.3 50.4 23.1 382 404 A A G 34 S+ 0 0 48 1,-0.3 -1,-0.3 -6,-0.2 -2,-0.2 0.751 110.1 39.7 -62.5 -22.9 26.8 49.1 23.9 383 405 A R G << S+ 0 0 83 -3,-1.0 -362,-0.4 -4,-0.7 -1,-0.3 0.346 100.2 78.4-105.7 3.8 27.8 49.0 27.5 384 406 A S T <4 S+ 0 0 56 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.1 0.590 88.5 50.3 -91.7 -13.2 29.8 52.3 27.5 385 407 A R S < S- 0 0 196 -4,-0.5 -367,-0.0 -3,-0.1 -1,-0.0 -0.952 88.2-101.0-127.0 147.9 27.0 54.9 27.7 386 408 A P - 0 0 74 0, 0.0 2,-0.2 0, 0.0 -367,-0.2 -0.250 30.4-119.6 -67.5 151.4 24.0 55.2 30.1 387 409 A L E -B 18 0A 67 -369,-2.9 -369,-1.8 1,-0.1 2,-0.9 -0.624 36.0-105.1 -85.4 149.2 20.5 54.2 29.2 388 410 A C E +B 17 0A 89 -2,-0.2 -371,-0.2 -371,-0.2 3,-0.2 -0.684 52.9 152.2 -85.3 106.6 17.9 57.0 29.3 389 411 A A + 0 0 3 -373,-2.6 -372,-0.2 -2,-0.9 -1,-0.1 -0.127 40.7 105.1-120.2 34.2 15.7 56.7 32.4 390 412 A Q > + 0 0 102 -374,-0.2 3,-3.5 2,-0.1 -1,-0.1 0.513 35.8 141.8 -95.6 -1.4 14.8 60.4 32.8 391 413 A M T 3 S- 0 0 47 1,-0.3 22,-1.7 -3,-0.2 3,-0.1 -0.124 86.6 -6.6 -43.5 116.4 11.2 60.4 31.5 392 414 A G T > S+ 0 0 32 1,-0.2 3,-1.7 20,-0.2 -1,-0.3 0.482 90.7 160.9 73.7 3.4 9.3 62.8 33.7 393 415 A A T < S- 0 0 29 -3,-3.5 -1,-0.2 1,-0.3 -3,-0.1 -0.406 75.9 -8.5 -62.2 120.8 12.3 63.3 36.0 394 416 A G T 3 S+ 0 0 80 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.485 97.3 142.6 71.4 1.6 11.7 66.5 38.0 395 417 A V < - 0 0 74 -3,-1.7 3,-0.4 1,-0.0 -1,-0.2 -0.660 40.5-144.9 -80.4 119.5 8.7 67.3 35.8 396 418 A P + 0 0 91 0, 0.0 -1,-0.0 0, 0.0 12,-0.0 -0.252 69.7 38.5 -79.9 167.7 6.0 69.0 37.9 397 419 A N S S+ 0 0 146 1,-0.1 11,-0.1 -2,-0.0 -2,-0.0 0.728 83.5 102.1 66.4 27.3 2.2 68.7 37.7 398 420 A K + 0 0 99 -3,-0.4 -1,-0.1 9,-0.2 10,-0.1 0.529 57.7 92.9-112.0 -13.4 2.1 65.0 36.8 399 421 A N - 0 0 90 9,-0.1 9,-0.1 8,-0.1 7,-0.1 -0.291 62.5-146.8 -77.6 164.7 1.1 63.7 40.2 400 422 A N > - 0 0 25 -157,-0.1 3,-2.4 3,-0.1 8,-0.1 -0.855 1.8-161.8-135.9 98.7 -2.4 63.0 41.4 401 423 A P T 3 S+ 0 0 112 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.687 83.3 79.7 -53.5 -20.2 -3.0 63.7 45.1 402 424 A E T 3 S+ 0 0 114 2,-0.1 -3,-0.0 -3,-0.1 0, 0.0 0.793 89.7 63.6 -59.9 -26.1 -6.1 61.5 45.0 403 425 A F S < S- 0 0 4 -3,-2.4 -3,-0.1 -111,-0.1 -111,-0.1 -0.802 96.7-109.3-100.4 141.8 -3.8 58.5 45.1 404 426 A P S S+ 0 0 46 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.405 75.3 6.8 -72.2 143.4 -1.6 57.9 48.2 405 427 A G S S- 0 0 39 -2,-0.1 2,-0.5 -4,-0.1 -159,-0.1 -0.324 110.5 -19.5 87.7-170.2 2.2 58.3 48.0 406 428 A K E S+O 245 0F 114 -161,-0.8 -161,-2.6 -2,-0.1 2,-0.3 -0.642 72.5 174.3 -77.2 120.2 4.5 59.7 45.3 407 429 A T E +O 244 0F 5 -2,-0.5 2,-0.2 -163,-0.2 -163,-0.2 -0.852 13.6 167.9-128.0 164.6 2.7 59.6 42.0 408 430 A S E -O 243 0F 10 -165,-2.0 -165,-2.4 -2,-0.3 -9,-0.1 -0.837 48.1 -46.1-153.8-172.7 3.3 60.7 38.4 409 431 A Y E -O 242 0F 68 -167,-0.3 -167,-0.3 -2,-0.2 5,-0.2 -0.209 52.6-112.8 -64.4 156.2 1.9 60.3 34.9 410 432 A V S S+ 0 0 0 -169,-1.4 2,-1.1 1,-0.2 -200,-0.5 0.877 115.5 56.8 -58.7 -37.9 1.0 56.8 33.6 411 433 A Y B S+T 209 0G 45 -170,-0.2 2,-0.3 -201,-0.1 -1,-0.2 -0.819 89.0 113.5 -95.9 98.4 3.9 57.1 31.1 412 434 A S - 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0 0 26 -4,-2.0 -1,-0.1 1,-0.1 6,-0.1 -0.879 54.4-170.2-111.5 104.8 24.8 49.3 51.8 430 452 A P + 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.829 68.0 50.0 -56.8 -41.9 26.3 46.4 53.9 431 453 A S >> - 0 0 38 1,-0.1 4,-2.0 -273,-0.0 3,-1.4 -0.823 69.9-137.1-112.8 146.7 24.0 46.8 56.9 432 454 A W H 3> S+ 0 0 4 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.645 95.0 86.9 -67.1 -13.3 20.3 47.2 57.5 433 455 A D H 34 S+ 0 0 117 1,-0.2 -1,-0.3 2,-0.2 -4,-0.0 0.864 109.9 17.0 -54.7 -36.0 21.2 49.9 60.0 434 456 A T H X4 S+ 0 0 74 -3,-1.4 3,-1.4 2,-0.1 -2,-0.2 0.756 122.7 62.7-103.1 -37.0 21.2 52.3 57.0 435 457 A L H 3< S+ 0 0 0 -4,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.836 95.4 58.7 -60.4 -37.5 19.3 50.2 54.5 436 458 A K T 3< 0 0 119 -4,-2.5 -1,-0.3 1,-0.2 -3,-0.1 0.652 360.0 360.0 -69.7 -11.1 16.1 50.1 56.5 437 459 A S < 0 0 102 -3,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.862 360.0 360.0 -89.1 360.0 16.0 53.9 56.4 438 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 439 5 B D > 0 0 125 0, 0.0 3,-1.4 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 104.2 -5.4 9.1 30.8 440 6 B L T 3 + 0 0 33 1,-0.3 4,-0.1 65,-0.0 165,-0.0 0.560 360.0 69.9 -72.4 -7.2 -2.5 10.9 29.3 441 7 B T T 3 S+ 0 0 43 2,-0.1 -1,-0.3 64,-0.0 60,-0.0 0.398 99.9 53.9 -89.9 2.5 -0.1 8.7 31.3 442 8 B K S < S- 0 0 117 -3,-1.4 3,-0.1 1,-0.0 0, 0.0 -0.974 94.2-105.5-132.8 147.3 -1.1 5.7 29.1 443 9 B P - 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