==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-JUL-10 3O1A . COMPND 2 MOLECULE: OXY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOPLANES TEICHOMYCETICUS; . AUTHOR M.J.CRYLE,I.SCHLICHTING . 383 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 6.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 1 0 0 2 3 1 0 1 0 0 0 1 0 1 0 0 0 0 0 2 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 7 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 2 A A 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 74.6 15.6 14.7 -18.8 2 3 A L - 0 0 69 1,-0.1 5,-0.1 4,-0.1 29,-0.0 -0.054 360.0-118.5 -43.9 124.8 16.0 16.3 -15.3 3 4 A P > - 0 0 14 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.266 27.6-108.6 -57.1 153.0 16.6 20.0 -15.2 4 5 A L G > S+ 0 0 30 1,-0.3 3,-1.0 2,-0.2 10,-0.3 0.785 116.3 61.0 -55.3 -34.8 20.0 21.1 -13.6 5 6 A P G 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 297,-0.2 0.511 109.4 43.5 -76.6 2.2 18.3 22.6 -10.5 6 7 A H G < S+ 0 0 9 -3,-1.8 363,-0.4 296,-0.1 2,-0.3 0.264 88.3 109.0-122.8 8.3 16.9 19.1 -9.7 7 8 A Q < - 0 0 55 -3,-1.0 7,-0.6 -4,-0.2 2,-0.3 -0.664 44.4-179.0 -87.0 140.3 19.9 17.0 -10.4 8 9 A R E -A 13 0A 37 -2,-0.3 2,-0.8 5,-0.2 3,-0.1 -0.994 34.5-145.7-137.7 145.6 21.8 15.4 -7.4 9 10 A L E > S-A 12 0A 110 3,-2.8 3,-1.9 -2,-0.3 2,-0.6 -0.941 87.4 -53.9 -98.4 99.4 24.8 13.2 -6.8 10 11 A R T 3 S- 0 0 98 -2,-0.8 352,-0.0 1,-0.3 -2,-0.0 -0.558 122.5 -21.3 65.9-110.6 23.3 11.4 -3.9 11 12 A L T 3 S+ 0 0 14 -2,-0.6 -1,-0.3 -3,-0.1 225,-0.0 0.577 123.8 86.3 -99.7 -16.6 22.2 14.3 -1.6 12 13 A D E < S-A 9 0A 75 -3,-1.9 -3,-2.8 1,-0.1 257,-0.0 -0.547 83.3-104.1 -90.9 151.1 24.6 16.9 -3.0 13 14 A P E -A 8 0A 8 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.231 46.1 -98.9 -61.8 160.7 24.0 19.2 -6.0 14 15 A V >> - 0 0 4 -7,-0.6 4,-1.9 -10,-0.3 3,-1.0 -0.609 22.4-118.4 -89.1 146.6 25.8 18.4 -9.3 15 16 A P H 3> S+ 0 0 70 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.774 112.5 55.6 -48.1 -36.1 29.2 20.0 -10.4 16 17 A E H 3> S+ 0 0 106 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.850 108.8 47.3 -70.3 -34.2 27.6 21.4 -13.6 17 18 A F H <> S+ 0 0 0 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.879 110.9 49.3 -74.3 -40.9 24.9 23.2 -11.6 18 19 A E H X S+ 0 0 29 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.782 111.5 52.8 -66.6 -26.1 27.3 24.7 -9.1 19 20 A E H X S+ 0 0 128 -4,-1.3 4,-0.7 -5,-0.3 -2,-0.2 0.839 107.6 49.5 -76.5 -38.0 29.3 25.8 -12.1 20 21 A L H >< S+ 0 0 44 -4,-1.6 3,-1.1 1,-0.2 4,-0.5 0.899 105.4 58.8 -64.1 -41.6 26.3 27.5 -13.6 21 22 A Q H >< S+ 0 0 40 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.796 98.8 59.6 -55.8 -32.9 25.7 29.2 -10.3 22 23 A K H 3< S+ 0 0 154 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.770 93.1 65.1 -71.1 -28.3 29.1 30.8 -10.5 23 24 A A T << S- 0 0 88 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.690 120.2 -61.5 -68.6 -21.8 28.3 32.6 -13.8 24 25 A G < - 0 0 24 -3,-0.8 -1,-0.2 -4,-0.5 3,-0.0 -0.949 48.6 -80.8 160.3-177.4 25.7 34.8 -12.1 25 26 A P S S+ 0 0 39 0, 0.0 19,-3.2 0, 0.0 20,-1.8 0.672 105.3 43.7 -88.2 -19.9 22.4 35.0 -10.2 26 27 A L E -B 43 0B 2 17,-0.2 2,-0.3 18,-0.2 17,-0.2 -0.967 66.3-171.8-133.7 143.4 20.0 34.7 -13.1 27 28 A H E -B 42 0B 12 15,-2.2 15,-2.8 -2,-0.3 2,-1.6 -0.987 35.2-122.9-142.3 143.6 19.9 32.4 -16.2 28 29 A E + 0 0 119 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.693 62.7 145.2 -75.6 87.2 18.2 31.7 -19.5 29 30 A Y - 0 0 67 -2,-1.6 2,-0.9 11,-0.2 269,-0.2 -0.971 49.8-137.1-139.1 123.6 17.3 28.2 -18.5 30 31 A D + 0 0 80 -2,-0.4 -2,-0.1 1,-0.2 12,-0.0 -0.661 36.5 155.7 -76.3 104.2 14.2 26.1 -19.4 31 32 A T + 0 0 8 -2,-0.9 -1,-0.2 -28,-0.1 266,-0.1 0.838 59.4 58.1 -96.6 -44.1 13.2 24.3 -16.2 32 33 A E S S- 0 0 32 264,-0.1 2,-0.1 1,-0.1 264,-0.0 -0.587 83.2-125.0 -86.4 148.6 9.5 23.8 -16.9 33 34 A P S S+ 0 0 85 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.433 72.9 38.4 -89.6 169.3 8.3 21.9 -20.0 34 35 A G S S+ 0 0 66 -2,-0.1 -2,-0.0 1,-0.1 0, 0.0 -0.800 85.1 73.5 92.4-137.3 5.9 23.1 -22.7 35 36 A M + 0 0 74 -2,-0.4 4,-0.1 1,-0.2 -1,-0.1 -0.336 16.7 162.9 58.4-147.1 6.1 26.7 -23.7 36 37 A D S S+ 0 0 106 2,-0.3 -1,-0.2 -3,-0.0 4,-0.1 -0.744 72.5 87.5 -93.0 35.2 8.2 28.2 -25.4 37 38 A G S S+ 0 0 81 2,-0.1 2,-0.4 257,-0.0 257,-0.1 0.827 93.9 51.6 -54.7 -32.2 5.5 30.9 -25.7 38 39 A R S S- 0 0 74 26,-0.1 -2,-0.3 256,-0.1 2,-0.2 -0.869 93.2-113.9-113.1 142.0 7.0 32.3 -22.5 39 40 A K - 0 0 67 -2,-0.4 257,-2.6 -4,-0.1 2,-0.4 -0.488 31.1-130.3 -72.6 141.5 10.6 33.1 -21.7 40 41 A Q E - c 0 296B 28 255,-0.2 2,-0.4 -2,-0.2 -11,-0.2 -0.760 22.6-175.3 -96.1 135.8 12.4 30.9 -19.1 41 42 A W E - c 0 297B 11 255,-2.6 257,-2.9 -2,-0.4 2,-0.5 -0.992 10.3-160.4-132.0 129.2 14.4 32.2 -16.1 42 43 A L E -Bc 27 298B 0 -15,-2.8 -15,-2.2 -2,-0.4 2,-0.5 -0.928 12.3-154.4-104.7 129.0 16.3 30.2 -13.6 43 44 A V E +Bc 26 299B 0 255,-3.2 257,-2.5 -2,-0.5 -17,-0.2 -0.906 30.9 150.0-110.9 123.1 17.1 32.1 -10.3 44 45 A T + 0 0 7 -19,-3.2 2,-0.2 -2,-0.5 -18,-0.2 0.592 40.3 101.2-126.1 -27.6 20.1 31.0 -8.3 45 46 A G > - 0 0 14 -20,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.514 68.4-136.7 -66.9 130.2 21.3 34.1 -6.5 46 47 A H H > S+ 0 0 67 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.908 102.4 43.0 -53.3 -53.2 20.2 34.2 -2.8 47 48 A D H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.834 113.4 53.6 -64.8 -34.3 19.1 37.9 -2.7 48 49 A E H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.855 108.9 48.5 -70.8 -37.9 17.4 37.5 -6.1 49 50 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.949 111.3 49.8 -66.0 -49.8 15.4 34.5 -4.9 50 51 A R H X S+ 0 0 113 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.881 110.8 52.5 -51.2 -41.0 14.4 36.4 -1.7 51 52 A A H X S+ 0 0 44 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.835 108.3 47.6 -71.0 -37.0 13.3 39.4 -3.9 52 53 A I H < S+ 0 0 1 -4,-1.7 3,-0.4 -3,-0.2 -1,-0.2 0.947 113.2 47.2 -68.3 -49.2 11.1 37.4 -6.3 53 54 A L H < S+ 0 0 4 -4,-2.0 275,-0.5 1,-0.2 276,-0.3 0.801 112.2 50.2 -64.7 -32.1 9.2 35.6 -3.5 54 55 A A H < S+ 0 0 49 -4,-1.6 2,-1.1 -5,-0.2 3,-0.3 0.750 100.8 68.5 -75.1 -26.4 8.7 38.8 -1.5 55 56 A D >X + 0 0 34 -4,-1.0 4,-1.0 -3,-0.4 3,-0.5 -0.535 54.1 149.4 -96.3 66.6 7.3 40.5 -4.6 56 57 A H T 34 + 0 0 50 -2,-1.1 -1,-0.2 -3,-0.2 3,-0.1 0.847 65.4 67.4 -62.3 -36.6 4.1 38.6 -5.0 57 58 A E T 34 S+ 0 0 154 -3,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.808 115.3 26.1 -57.7 -34.8 2.4 41.7 -6.5 58 59 A R T <4 S+ 0 0 104 -3,-0.5 223,-2.6 1,-0.2 224,-0.7 0.470 125.0 54.9-105.8 -5.1 4.6 41.5 -9.6 59 60 A F E < S-D 280 0B 1 -4,-1.0 221,-0.2 221,-0.2 -1,-0.2 -0.862 74.6-161.4-134.5 101.5 5.2 37.7 -9.4 60 61 A S E -D 279 0B 5 219,-2.4 219,-2.1 -2,-0.4 22,-0.1 -0.376 20.3-150.5 -83.4 155.1 2.2 35.4 -9.3 61 62 A S + 0 0 11 20,-0.2 21,-0.1 217,-0.2 -1,-0.1 0.552 64.6 110.8 -96.7 -14.8 1.9 31.8 -8.1 62 63 A M S S- 0 0 81 1,-0.1 217,-0.1 217,-0.1 19,-0.1 -0.284 82.2 -93.1 -62.0 148.3 -1.0 30.9 -10.4 63 64 A R - 0 0 153 17,-0.2 2,-0.8 1,-0.1 -1,-0.1 -0.454 36.4-111.9 -71.5 130.6 -0.1 28.5 -13.3 64 65 A P + 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.477 52.2 168.6 -63.8 102.9 0.9 30.1 -16.6 65 66 A V - 0 0 55 -2,-0.8 6,-0.1 1,-0.1 3,-0.1 -0.933 46.4-121.0-126.8 144.1 -2.0 29.2 -18.9 66 67 A D S S+ 0 0 108 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.835 99.1 12.7 -47.4 -46.0 -3.1 30.3 -22.4 67 68 A D S > S- 0 0 54 3,-0.1 3,-1.0 -3,-0.0 -1,-0.2 -1.000 78.4-121.2-136.5 139.3 -6.4 31.6 -21.2 68 69 A E T 3 S+ 0 0 92 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.424 101.7 40.4 -69.1 153.9 -7.8 32.3 -17.7 69 70 A A T 3 S+ 0 0 110 -2,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.521 100.7 81.4 72.8 7.7 -11.0 30.3 -16.9 70 71 A D S < S+ 0 0 70 -3,-1.0 2,-0.3 2,-0.1 -3,-0.1 -0.124 76.3 91.8-123.9 29.7 -9.3 27.4 -18.7 71 72 A R S S- 0 0 45 -6,-0.1 2,-0.3 -5,-0.1 -2,-0.1 -0.944 88.3-102.5-122.0 146.1 -7.2 26.6 -15.6 72 73 A A - 0 0 85 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.0 -0.552 29.5-148.5 -65.0 123.5 -8.0 24.1 -12.7 73 74 A L - 0 0 159 -2,-0.3 -1,-0.1 -4,-0.1 7,-0.0 0.798 15.5-155.9 -72.1 -31.1 -9.2 26.4 -9.9 74 75 A L > - 0 0 79 1,-0.1 3,-1.6 2,-0.1 6,-0.2 0.941 10.7-142.9 58.8 61.7 -7.8 24.1 -7.1 75 76 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.232 77.3 12.0 -57.9 139.2 -10.0 25.1 -4.1 76 77 A G T 3 S+ 0 0 1 1,-0.2 2,-1.1 141,-0.2 -2,-0.1 0.276 87.7 124.4 83.9 -9.9 -8.3 25.1 -0.7 77 78 A I X - 0 0 45 -3,-1.6 3,-2.1 1,-0.2 4,-0.4 -0.726 44.5-164.5 -90.8 99.1 -4.7 24.9 -2.1 78 79 A L G > S+ 0 0 13 -2,-1.1 3,-1.0 1,-0.3 -1,-0.2 0.762 82.3 56.5 -56.2 -35.7 -3.0 27.9 -0.5 79 80 A Q G 3 S+ 0 0 86 1,-0.2 -1,-0.3 250,-0.0 197,-0.1 0.384 101.1 58.8 -82.1 2.4 0.0 27.9 -2.8 80 81 A A G < S+ 0 0 24 -3,-2.1 -1,-0.2 -6,-0.2 -17,-0.2 0.439 94.5 81.1-106.0 -6.9 -2.1 28.1 -6.0 81 82 A Y < - 0 0 25 -3,-1.0 -20,-0.2 -4,-0.4 -7,-0.0 -0.497 61.0-152.8 -94.9 165.2 -3.8 31.4 -5.0 82 83 A D > - 0 0 21 -2,-0.2 4,-1.8 -21,-0.1 3,-0.4 -0.863 44.4 -47.1-122.1 162.7 -2.8 35.0 -5.3 83 84 A P T 4 S+ 0 0 46 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.433 116.1 28.7 -63.3 150.4 -3.9 37.9 -3.0 84 85 A P T > S+ 0 0 95 0, 0.0 4,-3.1 0, 0.0 5,-0.2 -0.984 126.8 45.3 -84.3 -17.5 -6.6 38.9 -2.0 85 86 A D H > S+ 0 0 68 -3,-0.4 4,-3.1 1,-0.2 5,-0.1 0.881 119.8 44.7 -46.9 -46.1 -8.0 35.3 -2.1 86 87 A H H X S+ 0 0 4 -4,-1.8 4,-3.5 2,-0.2 5,-0.3 0.902 110.1 52.3 -70.1 -44.5 -4.8 34.0 -0.5 87 88 A T H > S+ 0 0 68 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.929 115.2 45.2 -53.8 -46.4 -4.7 36.8 2.1 88 89 A R H X S+ 0 0 69 -4,-3.1 4,-1.1 2,-0.2 -2,-0.2 0.956 117.7 41.3 -59.9 -55.1 -8.3 35.8 2.9 89 90 A L H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.821 111.3 55.1 -70.5 -34.8 -7.7 32.1 3.0 90 91 A R H X S+ 0 0 55 -4,-3.5 4,-2.6 1,-0.2 3,-0.3 0.925 105.6 53.2 -61.8 -46.6 -4.3 32.2 4.8 91 92 A R H < S+ 0 0 129 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.805 105.7 57.2 -56.2 -33.4 -6.0 34.2 7.7 92 93 A T H < S+ 0 0 0 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.904 115.8 31.6 -65.1 -44.1 -8.6 31.4 7.8 93 94 A V H >< S+ 0 0 0 -4,-1.4 3,-2.0 -3,-0.3 4,-0.4 0.780 95.9 87.0 -89.5 -30.9 -6.1 28.6 8.4 94 95 A A G >< S+ 0 0 43 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.766 79.0 64.2 -43.8 -42.2 -3.4 30.4 10.4 95 96 A P G > S+ 0 0 32 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 0.834 93.4 62.5 -53.0 -36.1 -5.0 29.9 13.8 96 97 A A G < S+ 0 0 0 -3,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.677 104.6 48.3 -65.2 -18.8 -4.6 26.1 13.6 97 98 A Y G < S+ 0 0 22 -3,-1.9 -1,-0.3 -4,-0.4 -3,-0.1 0.165 80.7 140.0-108.8 13.3 -0.8 26.6 13.5 98 99 A S <> - 0 0 44 -3,-1.7 4,-2.0 1,-0.1 5,-0.2 -0.174 64.8-118.3 -55.5 150.9 -0.4 29.0 16.5 99 100 A A H > S+ 0 0 85 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.867 116.7 50.9 -56.4 -38.9 2.5 28.5 18.8 100 101 A R H > S+ 0 0 207 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.957 109.0 47.3 -60.5 -55.5 -0.1 27.8 21.5 101 102 A R H > S+ 0 0 21 -6,-0.3 4,-1.0 1,-0.2 -2,-0.2 0.782 110.1 54.0 -66.8 -29.2 -2.1 25.2 19.7 102 103 A M H >X S+ 0 0 9 -4,-2.0 4,-1.7 2,-0.2 3,-0.6 0.921 102.5 57.3 -66.9 -44.8 1.1 23.4 18.6 103 104 A E H 3< S+ 0 0 127 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.823 103.5 54.4 -56.4 -34.4 2.2 23.1 22.3 104 105 A R H 3< S+ 0 0 185 -4,-1.3 4,-0.4 1,-0.2 -1,-0.3 0.864 109.0 48.4 -63.5 -37.6 -1.1 21.3 23.1 105 106 A L H XX S+ 0 0 1 -4,-1.0 4,-1.7 -3,-0.6 3,-0.9 0.781 88.7 87.5 -75.2 -28.1 -0.3 18.8 20.3 106 107 A R H 3X S+ 0 0 82 -4,-1.7 4,-2.3 1,-0.3 -1,-0.2 0.786 85.4 50.9 -43.1 -48.7 3.3 18.2 21.6 107 108 A P H 3> S+ 0 0 78 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.900 109.7 49.8 -60.7 -40.9 2.4 15.4 24.1 108 109 A R H <> S+ 0 0 71 -3,-0.9 4,-2.6 -4,-0.4 -2,-0.2 0.825 110.3 51.7 -68.2 -30.3 0.4 13.4 21.5 109 110 A I H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.903 107.2 52.6 -67.3 -44.1 3.4 13.7 19.1 110 111 A E H X S+ 0 0 84 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.946 112.7 45.4 -54.9 -51.1 5.7 12.4 21.8 111 112 A E H X S+ 0 0 95 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.952 109.3 53.8 -55.5 -55.7 3.3 9.4 22.2 112 113 A I H X S+ 0 0 13 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.887 110.0 49.8 -50.2 -43.5 3.0 8.8 18.5 113 114 A V H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 3,-0.3 0.971 111.8 44.7 -59.7 -58.3 6.8 8.6 18.2 114 115 A E H X S+ 0 0 88 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.914 113.7 51.8 -54.4 -44.8 7.4 6.2 21.0 115 116 A E H X S+ 0 0 108 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.857 113.8 43.5 -60.7 -37.5 4.5 4.0 19.8 116 117 A C H X S+ 0 0 12 -4,-1.9 4,-2.2 -3,-0.3 -1,-0.2 0.809 110.5 54.0 -79.1 -33.0 6.0 3.9 16.2 117 118 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.774 106.1 54.4 -72.4 -27.4 9.5 3.3 17.4 118 119 A D H X S+ 0 0 83 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.910 111.0 44.6 -67.5 -44.5 8.3 0.3 19.4 119 120 A D H X S+ 0 0 94 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.852 114.5 49.5 -67.4 -37.4 6.7 -1.1 16.2 120 121 A F H < S+ 0 0 0 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.938 115.5 42.7 -63.0 -49.0 9.9 -0.2 14.3 121 122 A E H < S+ 0 0 90 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.774 103.0 71.1 -66.5 -30.1 12.0 -1.9 17.0 122 123 A S H < S+ 0 0 94 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.921 87.2 68.2 -56.3 -52.2 9.5 -4.8 17.1 123 124 A V S < S- 0 0 66 -4,-1.2 2,-0.1 -3,-0.2 4,-0.1 -0.419 101.8-103.1 -62.1 144.5 10.6 -6.2 13.7 124 125 A G - 0 0 53 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.396 55.5 -65.3 -67.7 148.8 14.1 -7.6 13.8 125 126 A A S S+ 0 0 48 -4,-0.1 257,-0.2 258,-0.1 2,-0.1 -0.531 109.4 63.3 -66.7 142.0 17.0 -5.6 12.4 126 127 A P S S+ 0 0 87 0, 0.0 2,-0.4 0, 0.0 256,-0.2 0.526 71.9 166.2 -74.9 151.3 17.4 -4.8 9.5 127 128 A V E -F 381 0C 7 254,-2.2 254,-2.4 -2,-0.1 2,-0.5 -0.999 40.3-118.6-132.7 136.4 14.3 -2.6 9.2 128 129 A D E > -F 380 0C 29 -2,-0.4 4,-1.7 252,-0.2 5,-0.1 -0.643 21.5-159.2 -70.9 121.1 13.5 -0.2 6.4 129 130 A F H >>S+ 0 0 4 250,-2.4 5,-3.4 -2,-0.5 4,-1.0 0.753 84.9 60.7 -77.2 -25.2 13.2 3.2 8.2 130 131 A V H 4>S+ 0 0 6 3,-0.2 5,-1.3 4,-0.2 -1,-0.2 0.888 113.1 34.5 -69.1 -42.0 11.1 4.8 5.4 131 132 A R H 45S+ 0 0 113 3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.863 125.9 36.3 -82.8 -37.9 8.2 2.3 5.7 132 133 A H H <5S+ 0 0 64 -4,-1.7 -2,-0.2 3,-0.1 -3,-0.1 0.443 136.8 4.2-102.1 4.0 8.2 1.6 9.4 133 134 A A T X5S+ 0 0 0 -4,-1.0 4,-1.8 -5,-0.1 -3,-0.2 0.444 120.3 55.5-147.3 -55.4 9.1 5.0 10.9 134 135 A A T 4 S+ 0 0 28 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.878 106.4 57.4 -55.6 -43.4 3.8 6.3 9.9 137 138 A I H X S+ 0 0 4 -4,-1.8 4,-2.5 2,-0.2 5,-0.1 0.949 116.5 30.7 -56.4 -60.6 5.0 9.1 12.3 138 139 A P H > S+ 0 0 0 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.912 118.6 58.5 -67.2 -38.7 4.0 12.1 10.2 139 140 A A H X S+ 0 0 2 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.961 111.3 40.1 -49.1 -60.1 1.1 10.2 8.8 140 141 A Y H X S+ 0 0 72 -4,-3.4 4,-2.5 1,-0.2 3,-0.4 0.927 115.5 51.8 -57.2 -46.1 -0.4 9.5 12.2 141 142 A I H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.888 106.9 53.9 -59.9 -38.8 0.5 13.1 13.4 142 143 A A H X S+ 0 0 0 -4,-3.5 4,-1.4 2,-0.2 -1,-0.2 0.852 109.8 48.3 -61.9 -36.4 -1.3 14.5 10.3 143 144 A C H <>S+ 0 0 0 -4,-1.7 5,-3.1 -3,-0.4 4,-0.3 0.904 111.4 47.5 -71.4 -44.9 -4.4 12.5 11.2 144 145 A E H ><5S+ 0 0 30 -4,-2.5 3,-0.9 3,-0.2 -2,-0.2 0.871 111.8 53.1 -59.8 -36.2 -4.4 13.7 14.9 145 146 A F H 3<5S+ 0 0 1 -4,-2.2 53,-0.6 -5,-0.3 -2,-0.2 0.855 110.5 46.2 -68.8 -34.7 -3.9 17.2 13.5 146 147 A L T 3<5S- 0 0 2 -4,-1.4 51,-0.3 51,-0.2 -1,-0.2 0.372 115.7-115.5 -84.4 0.3 -6.9 16.7 11.3 147 148 A G T < 5 + 0 0 11 -3,-0.9 50,-0.3 -4,-0.3 -3,-0.2 0.874 52.0 173.4 61.8 39.1 -9.0 15.3 14.2 148 149 A V < - 0 0 6 -5,-3.1 -1,-0.2 1,-0.1 5,-0.1 -0.644 41.2-101.2 -78.6 130.6 -9.3 12.0 12.4 149 150 A P >> - 0 0 67 0, 0.0 3,-2.1 0, 0.0 4,-0.9 -0.270 30.9-121.9 -53.3 136.1 -11.0 9.3 14.6 150 151 A R H >> S+ 0 0 158 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.866 108.1 55.7 -48.3 -51.9 -8.3 6.9 16.1 151 152 A D H 34 S+ 0 0 155 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.495 110.4 48.5 -67.2 -3.0 -9.7 3.7 14.7 152 153 A D H <> S+ 0 0 63 -3,-2.1 4,-2.5 2,-0.1 -1,-0.3 0.630 87.2 84.0-104.9 -22.5 -9.5 5.2 11.2 153 154 A Q H S+ 0 0 106 -4,-0.2 4,-2.2 1,-0.2 3,-0.2 0.926 115.4 52.1 -56.8 -50.3 -6.2 2.7 7.1 156 157 A L H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.844 108.6 51.9 -60.2 -33.9 -6.1 6.4 6.2 157 158 A S H X S+ 0 0 11 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.867 105.9 54.4 -69.0 -36.6 -2.3 6.5 6.6 158 159 A R H X S+ 0 0 81 -4,-1.7 4,-3.2 -3,-0.2 5,-0.2 0.964 109.2 48.1 -58.6 -52.3 -1.9 3.4 4.4 159 160 A M H X S+ 0 0 33 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.885 109.9 52.3 -56.7 -43.0 -3.9 5.2 1.6 160 161 A I H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.956 114.5 42.1 -59.1 -51.9 -1.7 8.4 2.1 161 162 A R H >X S+ 0 0 45 -4,-2.5 4,-1.9 1,-0.2 3,-1.0 0.941 117.2 47.2 -56.8 -52.1 1.5 6.4 1.7 162 163 A E H 3X S+ 0 0 30 -4,-3.2 4,-1.5 1,-0.3 -1,-0.2 0.801 105.5 57.8 -63.3 -34.0 0.2 4.3 -1.2 163 164 A S H 3< S+ 0 0 4 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.683 115.9 38.0 -71.9 -17.8 -1.3 7.2 -3.2 164 165 A R H << S+ 0 0 97 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.707 129.2 21.9-105.2 -26.9 2.2 8.7 -3.2 165 166 A E H < S+ 0 0 36 -4,-1.9 2,-0.2 -5,-0.1 -3,-0.2 0.301 77.9 127.4-131.2 16.9 4.6 5.8 -3.7 166 167 A S < - 0 0 18 -4,-1.5 6,-0.1 -5,-0.2 -4,-0.0 -0.545 53.6-139.9 -80.5 141.4 2.9 2.7 -5.2 167 168 A R S S+ 0 0 246 -2,-0.2 -1,-0.1 4,-0.0 -5,-0.0 0.789 86.3 74.3 -62.9 -31.0 4.5 1.2 -8.3 168 169 A L S > S- 0 0 121 1,-0.1 4,-1.6 2,-0.0 -2,-0.1 -0.726 70.0-150.9 -94.3 133.0 1.0 0.7 -9.7 169 170 A P H > S+ 0 0 94 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.883 95.7 54.3 -65.5 -43.7 -1.0 3.6 -11.2 170 171 A R H > S+ 0 0 216 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.929 109.9 47.1 -59.4 -46.4 -4.5 2.1 -10.4 171 172 A Q H > S+ 0 0 56 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.890 111.8 51.3 -60.7 -41.5 -3.6 1.6 -6.7 172 173 A R H X S+ 0 0 95 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.885 113.7 44.9 -60.6 -40.5 -2.2 5.2 -6.7 173 174 A T H X S+ 0 0 86 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.857 113.6 50.1 -71.7 -39.7 -5.5 6.4 -8.2 174 175 A L H X S+ 0 0 111 -4,-2.9 4,-2.6 2,-0.2 3,-0.4 0.973 113.7 42.0 -64.0 -59.2 -7.6 4.2 -5.8 175 176 A S H X S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.873 111.8 61.1 -55.4 -37.7 -5.9 5.4 -2.6 176 177 A G H X S+ 0 0 26 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.2 0.901 108.1 40.4 -53.8 -47.4 -6.1 8.8 -4.2 177 178 A L H X S+ 0 0 94 -4,-1.8 4,-3.4 -3,-0.4 5,-0.3 0.892 107.6 62.2 -73.5 -40.7 -9.9 8.8 -4.3 178 179 A G H X S+ 0 0 24 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.889 107.3 45.5 -46.9 -45.3 -10.2 7.2 -0.9 179 180 A I H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.908 112.9 48.0 -71.0 -45.4 -8.6 10.2 0.7 180 181 A V H X S+ 0 0 44 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.957 117.5 44.1 -55.2 -51.3 -10.6 12.8 -1.3 181 182 A N H X S+ 0 0 65 -4,-3.4 4,-1.5 2,-0.2 -2,-0.2 0.871 114.6 47.5 -64.5 -40.1 -13.8 10.9 -0.4 182 183 A Y H X S+ 0 0 41 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.913 111.5 51.8 -67.2 -43.2 -12.8 10.4 3.3 183 184 A T H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.843 105.4 55.4 -60.8 -37.7 -11.9 14.1 3.6 184 185 A K H X S+ 0 0 112 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.955 110.1 45.0 -61.2 -51.6 -15.2 15.2 2.2 185 186 A R H X S+ 0 0 169 -4,-1.5 4,-3.0 1,-0.2 5,-0.2 0.916 114.4 48.6 -55.5 -50.1 -17.2 13.3 4.8 186 187 A L H X S+ 0 0 24 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.874 110.4 51.1 -61.9 -42.9 -15.0 14.4 7.6 187 188 A T H X S+ 0 0 7 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.892 115.4 40.9 -63.2 -41.9 -15.2 18.1 6.6 188 189 A S H X S+ 0 0 64 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.874 113.5 53.8 -76.3 -36.2 -19.0 18.1 6.4 189 190 A G H X S+ 0 0 35 -4,-3.0 4,-1.4 -5,-0.2 -2,-0.2 0.802 109.4 49.7 -61.8 -30.6 -19.3 16.0 9.6 190 191 A K H < S+ 0 0 24 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.689 102.7 59.9 -83.4 -21.5 -17.1 18.7 11.3 191 192 A R H < S+ 0 0 69 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.928 110.2 43.1 -65.3 -45.9 -19.3 21.4 9.9 192 193 A R H < S+ 0 0 225 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.885 134.5 18.1 -60.5 -42.8 -22.1 19.8 11.9 193 194 A D S < S- 0 0 116 -4,-1.4 2,-0.5 -5,-0.1 -1,-0.3 -0.856 76.1-150.9-140.6 93.9 -19.9 19.2 14.9 194 195 A P + 0 0 43 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.571 36.0 159.7 -70.8 120.3 -16.7 21.2 15.2 195 196 A G - 0 0 26 -2,-0.5 6,-0.1 -48,-0.0 5,-0.1 -0.213 50.8 -44.3-122.7-150.9 -14.2 19.1 17.2 196 197 A D S S+ 0 0 81 4,-0.1 -49,-0.2 -49,-0.1 5,-0.1 0.694 99.2 94.3 -58.2 -27.0 -10.6 18.4 18.0 197 198 A G S > S- 0 0 0 -51,-0.3 4,-1.1 -50,-0.3 -51,-0.2 0.254 88.9-109.7 -60.4-178.1 -9.3 18.8 14.4 198 199 A M H > S+ 0 0 0 -53,-0.6 4,-1.3 2,-0.2 -52,-0.1 0.631 122.4 61.6 -84.0 -18.7 -7.9 21.8 12.6 199 200 A I H > S+ 0 0 1 -53,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.826 101.1 55.2 -68.1 -33.8 -11.1 21.7 10.6 200 201 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.953 108.0 43.6 -65.2 -54.2 -12.8 22.3 14.0 201 202 A V H X S+ 0 0 31 -4,-1.1 4,-1.0 1,-0.2 5,-0.3 0.806 109.9 58.0 -65.2 -30.9 -10.9 25.5 14.9 202 203 A I H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.874 112.0 41.2 -65.6 -37.1 -11.3 26.8 11.3 203 204 A V H X S+ 0 0 24 -4,-1.4 4,-1.2 -3,-0.3 -2,-0.2 0.905 113.6 51.8 -75.0 -43.6 -15.1 26.5 11.7 204 205 A R H < S+ 0 0 172 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.627 126.1 25.1 -70.1 -14.3 -15.3 27.8 15.3 205 206 A E H < S+ 0 0 122 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.687 141.5 14.1-118.8 -34.0 -13.2 30.9 14.3 206 207 A H H X S+ 0 0 35 -4,-2.1 4,-0.6 -5,-0.3 -2,-0.2 -0.216 75.3 140.9-140.6 44.6 -13.8 31.5 10.6 207 208 A 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