==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JAN-01 1HYU . COMPND 2 MOLECULE: ALKYL HYDROPEROXIDE REDUCTASE SUBUNIT F; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR Z.A.WOOD,L.B.POOLE,P.A.KARPLUS . 521 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 36 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 0 1 2 1 1 0 2 1 2 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 4 3 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 PARALLEL BRIDGES PER LADDER . 5 1 1 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 1 0 0 2 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 0 139 0, 0.0 2,-0.3 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 163.6 77.7 25.3 -0.6 2 2 A L - 0 0 14 4,-0.1 2,-0.1 2,-0.0 81,-0.0 -0.520 360.0-147.0 -65.6 129.9 77.6 27.6 2.5 3 3 A D > - 0 0 87 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.454 27.4 -93.5 -94.0 176.0 80.5 30.1 2.1 4 4 A T H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.855 121.4 47.9 -56.2 -41.5 82.6 31.6 5.0 5 5 A N H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.882 110.0 51.7 -71.6 -35.0 80.6 34.8 5.5 6 6 A M H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.884 111.6 49.0 -64.6 -38.0 77.2 33.0 5.5 7 7 A K H X S+ 0 0 50 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.921 111.4 49.7 -66.1 -42.7 78.6 30.6 8.2 8 8 A T H X S+ 0 0 50 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.920 114.2 44.3 -59.8 -46.7 79.9 33.6 10.2 9 9 A Q H X S+ 0 0 21 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.916 112.9 50.8 -65.8 -43.3 76.5 35.4 10.0 10 10 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.904 108.2 52.6 -63.0 -42.3 74.5 32.2 10.8 11 11 A R H X S+ 0 0 101 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.959 110.8 47.4 -58.9 -49.0 76.7 31.5 13.8 12 12 A A H >< S+ 0 0 10 -4,-2.0 3,-0.8 1,-0.2 4,-0.4 0.941 113.9 48.1 -57.7 -47.1 76.1 35.1 15.1 13 13 A Y H >< S+ 0 0 34 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.948 108.8 52.8 -58.8 -47.8 72.3 34.7 14.5 14 14 A L H >< S+ 0 0 3 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.611 87.6 77.9 -66.9 -13.1 72.0 31.3 16.2 15 15 A E T << S+ 0 0 132 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.785 93.1 59.0 -65.5 -20.6 73.7 32.5 19.4 16 16 A K T < S+ 0 0 104 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.591 73.4 119.5 -83.2 -13.3 70.3 34.0 20.0 17 17 A L < - 0 0 14 -3,-1.4 82,-0.1 1,-0.2 78,-0.1 -0.237 37.0-176.7 -53.2 138.3 68.2 30.7 19.8 18 18 A T + 0 0 100 80,-2.4 81,-0.2 77,-0.2 -1,-0.2 0.630 68.4 43.5-112.0 -18.1 66.4 30.2 23.1 19 19 A K S S- 0 0 100 79,-1.6 -1,-0.2 30,-0.0 2,-0.1 -0.910 95.9 -97.6-124.3 150.2 64.8 26.9 22.4 20 20 A P - 0 0 58 0, 0.0 2,-0.4 0, 0.0 30,-0.2 -0.400 34.7-154.9 -70.1 144.1 66.5 23.8 20.6 21 21 A V E -a 50 0A 1 28,-3.4 30,-2.4 48,-0.2 2,-0.5 -0.949 3.1-159.1-122.5 136.0 66.0 23.3 16.9 22 22 A E E -aB 51 68A 31 46,-3.7 46,-2.1 -2,-0.4 2,-0.7 -0.954 6.0-153.2-120.9 128.8 66.2 20.0 15.1 23 23 A L E -aB 52 67A 1 28,-3.4 30,-2.9 -2,-0.5 2,-0.7 -0.891 14.4-165.6 -99.4 112.9 66.7 19.7 11.3 24 24 A I E -aB 53 66A 19 42,-2.3 42,-2.1 -2,-0.7 2,-0.3 -0.843 7.0-163.9-105.1 109.8 65.3 16.4 10.1 25 25 A A E -aB 54 65A 0 28,-3.0 30,-3.5 -2,-0.7 2,-0.4 -0.637 17.3-166.1 -95.9 151.8 66.3 15.3 6.6 26 26 A T E + B 0 64A 0 38,-2.5 38,-1.4 -2,-0.3 2,-0.3 -0.987 30.2 172.7-130.6 113.4 64.9 12.8 4.2 27 27 A L - 0 0 9 -2,-0.4 2,-0.2 36,-0.2 35,-0.1 -0.797 25.1-159.6-127.7 162.9 67.4 12.1 1.5 28 28 A D - 0 0 67 -2,-0.3 28,-0.0 2,-0.1 -2,-0.0 -0.605 48.2 -83.8-124.5-169.2 68.2 9.8 -1.5 29 29 A D S S+ 0 0 161 -2,-0.2 5,-0.1 4,-0.1 -2,-0.0 0.475 83.7 122.4 -82.9 3.2 71.4 9.0 -3.3 30 30 A S S > S- 0 0 39 1,-0.1 4,-1.5 3,-0.1 5,-0.1 -0.080 73.4-118.1 -64.5 162.6 71.5 12.1 -5.5 31 31 A A H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.920 117.6 53.6 -66.0 -41.9 74.2 14.7 -5.7 32 32 A K H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 104.6 55.7 -60.5 -41.0 71.8 17.4 -4.5 33 33 A S H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.870 105.1 52.3 -57.1 -38.9 70.9 15.1 -1.5 34 34 A A H X S+ 0 0 61 -4,-1.5 4,-2.5 -3,-0.2 -1,-0.2 0.907 107.6 52.0 -64.9 -39.0 74.6 15.0 -0.6 35 35 A E H X S+ 0 0 78 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.931 110.0 48.4 -62.7 -43.8 74.8 18.8 -0.7 36 36 A I H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.917 110.4 51.6 -62.0 -42.4 71.8 19.1 1.7 37 37 A K H X S+ 0 0 96 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.948 112.4 45.0 -60.0 -48.3 73.3 16.6 4.1 38 38 A E H X S+ 0 0 92 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.918 112.3 54.1 -62.3 -40.9 76.6 18.5 4.2 39 39 A L H X S+ 0 0 12 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.944 110.3 43.9 -58.6 -50.0 74.7 21.8 4.6 40 40 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.877 112.7 52.0 -65.5 -39.1 72.6 20.7 7.6 41 41 A A H X S+ 0 0 38 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.931 110.2 50.2 -62.7 -43.9 75.7 19.1 9.3 42 42 A E H < S+ 0 0 26 -4,-2.6 4,-0.4 -5,-0.2 -2,-0.2 0.866 111.4 47.7 -62.3 -35.6 77.5 22.4 8.8 43 43 A I H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 4,-0.4 0.925 107.5 56.3 -71.2 -43.0 74.7 24.4 10.3 44 44 A A H >< S+ 0 0 19 -4,-2.6 3,-1.0 1,-0.3 6,-0.3 0.841 100.8 57.4 -61.9 -31.1 74.4 22.1 13.3 45 45 A E T 3< S+ 0 0 137 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.687 95.9 66.7 -74.3 -9.0 78.1 22.6 14.2 46 46 A L T < S+ 0 0 17 -3,-1.6 2,-0.4 -4,-0.4 -1,-0.2 0.639 107.0 34.7 -83.9 -11.6 77.5 26.4 14.5 47 47 A S X - 0 0 20 -3,-1.0 3,-1.1 -4,-0.4 -1,-0.2 -0.990 60.1-143.4-151.5 143.0 75.2 26.0 17.5 48 48 A D T 3 S+ 0 0 150 -2,-0.4 -1,-0.1 1,-0.2 -33,-0.1 0.751 105.6 55.1 -67.7 -27.1 74.7 24.0 20.6 49 49 A K T 3 S+ 0 0 65 -35,-0.2 -28,-3.4 -29,-0.1 2,-0.5 0.413 94.3 78.6 -90.5 -0.0 70.9 24.3 20.1 50 50 A V E < +a 21 0A 4 -3,-1.1 2,-0.3 -6,-0.3 -3,-0.2 -0.934 56.1 178.6-114.8 127.0 70.8 23.0 16.6 51 51 A T E -a 22 0A 67 -30,-2.4 -28,-3.4 -2,-0.5 2,-0.5 -0.921 18.7-140.9-128.2 153.7 70.9 19.3 15.8 52 52 A F E +a 23 0A 43 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.951 22.7 170.2-113.2 126.1 70.8 17.3 12.5 53 53 A K E -a 24 0A 121 -30,-2.9 -28,-3.0 -2,-0.5 2,-0.5 -0.972 17.5-149.2-131.3 147.7 68.9 14.0 12.1 54 54 A E E +a 25 0A 72 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.976 17.0 173.9-126.1 135.5 68.1 12.0 9.0 55 55 A D > - 0 0 63 -30,-3.5 3,-1.1 -2,-0.5 -2,-0.0 -0.834 3.2-179.3-133.8 93.9 65.1 9.7 8.4 56 56 A N T 3 S+ 0 0 62 -2,-0.3 -30,-0.1 1,-0.2 -1,-0.1 0.415 73.1 72.4 -78.1 7.0 65.1 8.6 4.8 57 57 A T T 3 + 0 0 118 2,-0.1 -1,-0.2 -31,-0.0 -31,-0.1 0.549 67.7 110.7 -98.1 -10.5 61.9 6.6 5.3 58 58 A L S < S- 0 0 40 -3,-1.1 2,-1.6 1,-0.1 -3,-0.0 -0.348 76.3-117.3 -68.8 146.1 59.4 9.5 5.6 59 59 A P S S+ 0 0 130 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.471 78.7 104.6 -82.4 62.1 56.8 10.0 2.7 60 60 A V S S- 0 0 47 -2,-1.6 4,-0.1 1,-0.1 19,-0.0 -0.811 80.3 -68.7-134.2 171.2 58.1 13.4 1.7 61 61 A R - 0 0 54 -2,-0.3 -35,-0.2 2,-0.1 -1,-0.1 -0.228 57.6-102.4 -63.3 155.4 60.2 14.8 -1.2 62 62 A K S S+ 0 0 82 1,-0.3 -35,-0.2 17,-0.1 2,-0.1 -0.993 104.9 27.1-129.9 122.3 63.9 13.8 -1.5 63 63 A P S S+ 0 0 2 0, 0.0 17,-0.4 0, 0.0 2,-0.3 0.572 93.5 120.6 -85.6 150.6 65.9 15.8 -0.7 64 64 A S E -B 26 0A 0 -38,-1.4 -38,-2.5 15,-0.2 2,-0.3 -0.949 36.9-155.5-159.0 159.7 63.9 17.9 1.9 65 65 A F E -BC 25 78A 1 13,-2.1 13,-2.3 -2,-0.3 2,-0.4 -0.996 11.0-136.7-141.8 148.4 64.3 18.7 5.6 66 66 A L E -BC 24 77A 9 -42,-2.1 -42,-2.3 -2,-0.3 2,-0.6 -0.798 10.1-148.5-101.6 139.5 61.9 19.8 8.3 67 67 A I E +B 23 0A 0 9,-2.1 2,-0.2 -2,-0.4 -44,-0.2 -0.962 46.1 125.9-109.7 114.0 62.8 22.6 10.7 68 68 A T E -B 22 0A 0 -46,-2.1 -46,-3.7 -2,-0.6 7,-0.1 -0.821 59.4 -88.6-152.5-175.3 61.2 21.8 14.1 69 69 A N > - 0 0 39 5,-0.3 3,-1.7 -48,-0.3 -48,-0.2 -0.799 57.9 -85.8-104.2 151.9 61.8 21.4 17.8 70 70 A P T 3 S+ 0 0 70 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.296 116.3 27.7 -57.2 136.6 62.7 17.9 19.2 71 71 A G T 3 S+ 0 0 88 1,-0.3 2,-0.3 -3,-0.0 0, 0.0 0.529 107.9 89.6 89.4 2.9 59.6 15.9 20.0 72 72 A S < - 0 0 33 -3,-1.7 -1,-0.3 2,-0.1 -4,-0.0 -0.930 58.0-156.3-134.3 161.6 57.5 17.5 17.3 73 73 A Q + 0 0 144 -2,-0.3 2,-0.4 -3,-0.1 -6,-0.1 0.221 63.4 116.4-112.4 10.5 56.5 17.2 13.7 74 74 A Q + 0 0 66 -5,-0.2 -5,-0.3 -8,-0.1 -2,-0.1 -0.660 43.1 63.1 -86.8 133.7 55.5 20.9 13.4 75 75 A G S S- 0 0 10 -2,-0.4 76,-0.5 74,-0.2 2,-0.1 -0.787 77.1 -56.0 144.0 169.2 57.3 23.3 11.2 76 76 A P - 0 0 0 0, 0.0 -9,-2.1 0, 0.0 2,-0.4 -0.492 42.7-146.5 -79.3 159.6 58.2 24.4 7.6 77 77 A R E -Cd 66 152A 28 74,-2.2 76,-2.6 -11,-0.2 2,-0.5 -0.948 2.2-152.8-127.4 135.1 60.0 22.1 5.2 78 78 A F E -Cd 65 153A 0 -13,-2.3 -13,-2.1 -2,-0.4 2,-0.6 -0.959 6.3-162.9-108.2 127.7 62.5 23.1 2.5 79 79 A A E - d 0 154A 0 74,-3.0 76,-3.3 -2,-0.5 2,-0.2 -0.941 65.2 -9.7-108.9 109.0 62.8 20.8 -0.5 80 80 A G S S- 0 0 0 -2,-0.6 -15,-0.1 -17,-0.4 73,-0.1 -0.670 118.6 -2.4 102.4-161.3 66.0 21.4 -2.4 81 81 A S - 0 0 14 -2,-0.2 -2,-0.1 1,-0.1 76,-0.1 -0.516 46.4-173.1 -74.7 127.2 68.5 24.3 -1.8 82 82 A P + 0 0 0 0, 0.0 8,-0.4 0, 0.0 -1,-0.1 0.173 61.6 87.3 -99.7 15.7 67.6 26.9 0.8 83 83 A L > + 0 0 17 3,-0.1 3,-2.4 2,-0.1 4,-0.1 0.119 58.7 55.1 -95.6-150.2 70.5 29.2 -0.0 84 84 A G G > S- 0 0 50 1,-0.3 3,-1.7 2,-0.2 4,-0.3 -0.350 130.2 -10.1 59.0-137.6 70.9 31.9 -2.6 85 85 A H G 3 S+ 0 0 85 42,-2.7 3,-0.3 1,-0.3 -1,-0.3 0.581 135.5 64.8 -70.0 -9.2 68.2 34.5 -2.1 86 86 A E G <> S+ 0 0 0 -3,-2.4 4,-2.6 1,-0.2 -1,-0.3 0.411 71.3 98.6 -90.3 1.0 66.4 32.1 0.4 87 87 A F H <> S+ 0 0 23 -3,-1.7 4,-2.6 1,-0.3 -1,-0.2 0.940 85.5 45.9 -53.4 -50.9 69.3 32.3 2.9 88 88 A T H > S+ 0 0 54 -3,-0.3 4,-2.6 -4,-0.3 -1,-0.3 0.840 109.3 55.4 -62.2 -31.2 67.4 34.9 4.9 89 89 A S H > S+ 0 0 0 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 110.4 46.3 -65.5 -42.6 64.2 32.8 4.7 90 90 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 -8,-0.4 -2,-0.2 0.917 110.9 52.0 -63.4 -46.6 66.2 29.9 6.2 91 91 A V H X S+ 0 0 3 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.961 112.6 45.5 -56.3 -50.8 67.7 32.1 8.9 92 92 A L H X S+ 0 0 37 -4,-2.6 4,-3.3 1,-0.2 5,-0.4 0.921 109.0 54.5 -60.9 -46.3 64.2 33.3 9.9 93 93 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.919 112.4 45.7 -53.2 -42.7 62.7 29.8 9.8 94 94 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.941 115.3 45.3 -65.0 -51.6 65.6 28.8 12.3 95 95 A L H <>S+ 0 0 11 -4,-2.8 5,-2.8 2,-0.2 -77,-0.2 0.922 113.8 47.4 -61.4 -45.7 65.1 31.8 14.6 96 96 A W H ><5S+ 0 0 28 -4,-3.3 3,-2.0 1,-0.2 -1,-0.2 0.947 113.3 49.1 -63.3 -43.2 61.3 31.7 14.7 97 97 A T H 3<5S+ 0 0 7 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.881 108.3 55.7 -61.7 -34.1 61.5 27.9 15.5 98 98 A G T 3<5S- 0 0 1 -4,-2.1 -80,-2.4 -5,-0.2 -79,-1.6 0.302 133.0 -89.2 -80.5 11.0 64.0 28.7 18.2 99 99 A G T < 5S+ 0 0 34 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.482 77.0 145.0 98.7 4.7 61.7 31.2 19.9 100 100 A H < - 0 0 50 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.1 -0.543 47.5-119.6 -77.7 133.2 62.4 34.5 18.1 101 101 A P - 0 0 96 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.395 17.1-119.5 -78.5 155.6 59.3 36.7 17.7 102 102 A S - 0 0 26 1,-0.1 7,-0.0 -2,-0.1 4,-0.0 -0.513 9.3-140.5 -81.0 155.3 57.9 38.0 14.4 103 103 A K + 0 0 129 -2,-0.2 3,-0.1 2,-0.0 -1,-0.1 0.283 66.5 117.3 -98.6 6.3 57.7 41.8 13.8 104 104 A E S S- 0 0 66 1,-0.2 5,-0.1 2,-0.1 -2,-0.1 -0.276 83.7 -69.4 -71.0 161.3 54.3 41.3 12.1 105 105 A A > - 0 0 21 1,-0.1 4,-2.2 2,-0.1 3,-0.4 -0.232 40.8-134.3 -52.9 132.9 51.1 42.9 13.5 106 106 A Q H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.865 106.3 53.5 -58.3 -38.1 50.2 41.2 16.8 107 107 A S H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.845 108.3 51.2 -67.3 -30.2 46.5 41.0 15.8 108 108 A L H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.924 108.9 50.0 -71.0 -42.4 47.6 39.3 12.6 109 109 A L H X S+ 0 0 8 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.920 110.6 51.1 -60.2 -45.2 49.7 36.8 14.5 110 110 A E H X S+ 0 0 96 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.895 107.7 51.1 -61.9 -40.6 46.8 36.0 16.7 111 111 A Q H X S+ 0 0 25 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.938 109.5 51.5 -64.9 -40.1 44.4 35.5 13.8 112 112 A I H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.941 107.5 51.4 -60.8 -46.9 47.0 33.0 12.3 113 113 A R H 3< S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.841 111.9 50.2 -59.9 -29.1 47.2 31.0 15.6 114 114 A D H 3< S+ 0 0 78 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.509 77.4 128.4 -89.3 -2.9 43.4 30.8 15.6 115 115 A I << - 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0 0 63 -3,-0.2 110,-0.1 110,-0.1 -1,-0.1 -0.256 21.0 -96.3 -68.3 157.8 34.6 34.9 11.0 201 201 A K > - 0 0 129 108,-0.3 4,-1.9 3,-0.1 5,-0.2 0.189 47.6 -85.3 -59.5-174.3 35.0 35.4 14.8 202 202 A R H > S+ 0 0 214 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.953 127.4 57.7 -62.7 -47.7 32.7 37.5 16.9 203 203 A A H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.868 108.9 44.8 -50.2 -46.4 34.7 40.7 16.0 204 204 A A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 108,-0.3 0.912 110.4 50.7 -66.8 -49.3 34.1 40.3 12.3 205 205 A E H X S+ 0 0 114 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.878 112.5 50.7 -58.6 -36.8 30.4 39.4 12.4 206 206 A A H >< S+ 0 0 47 -4,-2.3 3,-1.4 -5,-0.2 4,-0.4 0.962 108.4 50.0 -66.4 -49.1 30.0 42.5 14.5 207 207 A L H >< S+ 0 0 7 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.901 104.1 60.3 -57.0 -41.2 31.9 44.7 12.1 208 208 A N H 3< S+ 0 0 56 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.778 102.2 53.4 -58.7 -27.5 29.8 43.4 9.2 209 209 A K T << S+ 0 0 142 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.428 81.6 113.3 -91.8 4.6 26.6 44.8 10.9 210 210 A R S < S- 0 0 78 -3,-1.9 104,-0.1 -4,-0.4 3,-0.1 -0.446 74.3-110.4 -70.4 145.0 27.9 48.4 11.4 211 211 A D - 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0 0 91 -2,-0.3 4,-2.6 -11,-0.2 5,-0.3 -0.851 25.6-118.4-114.3 152.1 57.8 60.3 24.7 266 266 A G H > S+ 0 0 0 -14,-1.4 4,-2.2 -2,-0.3 5,-0.2 0.896 114.3 50.0 -53.7 -43.0 56.2 58.1 22.0 267 267 A Q H > S+ 0 0 147 -15,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.899 112.5 46.4 -67.4 -36.6 53.9 56.5 24.5 268 268 A K H > S+ 0 0 145 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 112.9 47.3 -72.7 -39.0 52.7 59.8 25.9 269 269 A L H X S+ 0 0 14 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.937 112.7 50.3 -65.9 -42.3 52.2 61.5 22.5 270 270 A A H X S+ 0 0 4 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.924 110.4 50.5 -60.4 -42.3 50.3 58.4 21.2 271 271 A G H X S+ 0 0 41 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.893 109.7 50.1 -62.6 -37.8 48.2 58.6 24.4 272 272 A A H X S+ 0 0 54 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.898 108.4 51.9 -68.0 -39.1 47.5 62.3 23.8 273 273 A L H X S+ 0 0 19 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.911 110.5 50.2 -60.8 -40.4 46.4 61.6 20.2 274 274 A K H X S+ 0 0 78 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.912 109.2 50.2 -64.9 -42.1 44.1 58.9 21.6 275 275 A A H X S+ 0 0 64 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.858 109.7 51.2 -65.0 -35.4 42.6 61.4 24.1 276 276 A H H >< S+ 0 0 98 -4,-2.2 3,-0.9 2,-0.2 -2,-0.2 0.937 112.1 46.0 -68.6 -42.5 42.0 64.0 21.3 277 277 A V H >< S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.2 5,-0.2 0.924 110.1 54.6 -65.8 -41.8 40.2 61.4 19.2 278 278 A S H 3< S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.568 89.9 75.8 -68.9 -6.8 38.1 60.2 22.3 279 279 A D T << S+ 0 0 116 -3,-0.9 -1,-0.3 -4,-0.5 2,-0.2 0.553 102.3 45.5 -78.6 -4.8 37.0 63.8 22.9 280 280 A Y S < S- 0 0 62 -3,-1.7 2,-1.7 -4,-0.1 -47,-0.1 -0.783 102.6 -87.5-130.5 176.1 34.7 63.2 19.9 281 281 A D + 0 0 150 -2,-0.2 -43,-0.6 -49,-0.2 2,-0.5 -0.595 64.6 147.4 -90.0 84.8 32.3 60.6 18.6 282 282 A V E -j 238 0B 18 -2,-1.7 2,-1.1 -5,-0.2 -43,-0.2 -0.982 48.1-135.0-120.6 132.5 34.6 58.4 16.6 283 283 A D E -j 239 0B 40 -45,-2.7 -43,-2.5 -2,-0.5 2,-0.6 -0.721 27.8-160.6 -82.0 99.9 34.1 54.6 16.3 284 284 A V E -j 240 0B 44 -2,-1.1 2,-0.6 -45,-0.2 -43,-0.2 -0.773 6.8-168.7 -90.4 121.5 37.7 53.5 16.9 285 285 A I E -j 241 0B 9 -45,-3.5 -43,-1.9 -2,-0.6 3,-0.3 -0.934 8.6-173.9-113.1 119.2 38.4 49.9 15.6 286 286 A D + 0 0 55 -2,-0.6 -43,-0.2 -45,-0.2 -42,-0.2 -0.652 56.0 32.5-109.6 167.9 41.6 48.3 16.6 287 287 A S S S+ 0 0 65 -44,-1.6 2,-0.4 -2,-0.2 -44,-0.3 0.804 86.3 120.5 61.3 32.6 43.4 45.1 15.7 288 288 A Q - 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