==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-NOV-00 1GEI . COMPND 2 MOLECULE: CYTOCHROME P450 55A1; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR D.-S.LEE,S.-Y.PARK,K.YAMANE,Y.SHIRO . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18362.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 3 0 2 0 2 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 5 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 5 A A 0 0 86 0, 0.0 29,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 117.6 32.1 -11.0 21.7 2 6 A P - 0 0 69 0, 0.0 29,-3.2 0, 0.0 2,-0.1 -0.305 360.0 -98.6 -69.8 152.9 35.2 -11.2 19.5 3 7 A S B -a 31 0A 91 27,-0.2 29,-0.2 2,-0.0 30,-0.0 -0.454 50.5-114.9 -70.0 140.8 38.7 -11.1 21.0 4 8 A F S S+ 0 0 10 27,-2.7 29,-0.4 -2,-0.1 2,-0.2 -0.988 85.9 49.9-135.1 147.2 40.4 -7.7 20.9 5 9 A P S S- 0 0 43 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.375 82.6-143.1 -61.8 151.5 42.8 -6.2 19.7 6 10 A F - 0 0 14 -2,-0.2 2,-0.4 1,-0.1 -2,-0.1 -0.392 16.6-109.1 -82.5 166.5 42.0 -7.5 16.2 7 11 A S - 0 0 61 -2,-0.1 9,-0.5 7,-0.1 10,-0.3 -0.800 34.1-101.4-101.9 141.7 44.8 -8.4 13.8 8 12 A R E -F 15 0B 10 378,-2.7 3,-0.1 -2,-0.4 378,-0.1 -0.296 27.2-124.8 -57.5 140.7 45.6 -6.3 10.7 9 13 A A E S- 0 0 54 5,-1.7 2,-0.3 1,-0.2 -1,-0.1 0.772 86.8 -22.8 -58.9 -26.5 44.2 -7.8 7.5 10 14 A S E > S-F 13 0B 35 3,-0.6 3,-1.5 1,-0.1 -1,-0.2 -0.955 90.6 -65.0-172.0 170.5 47.7 -7.7 6.1 11 15 A G T 3 S+ 0 0 14 -2,-0.3 380,-0.3 1,-0.3 373,-0.2 0.824 130.7 22.6 -32.7 -65.2 51.1 -6.0 6.7 12 16 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.3 0, 0.0 378,-0.1 0.430 110.1 90.1 -89.6 1.8 50.0 -2.5 5.6 13 17 A E E < S-F 10 0B 95 -3,-1.5 -3,-0.6 1,-0.1 3,-0.1 -0.676 72.2-119.0-104.4 154.3 46.2 -2.8 6.2 14 18 A P E - 0 0 22 0, 0.0 -5,-1.7 0, 0.0 -4,-0.1 -0.269 55.6 -68.2 -78.3 169.7 44.0 -2.2 9.3 15 19 A P E > -F 8 0B 11 0, 0.0 3,-0.8 0, 0.0 4,-0.4 -0.370 40.8-133.6 -59.2 138.3 41.9 -5.0 10.9 16 20 A A T 3> S+ 0 0 45 -9,-0.5 4,-0.9 1,-0.2 3,-0.4 0.730 96.9 74.2 -65.3 -23.3 39.2 -6.2 8.5 17 21 A E H 3> S+ 0 0 69 -10,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.841 83.0 65.7 -59.6 -38.9 36.7 -6.1 11.4 18 22 A F H <> S+ 0 0 6 -3,-0.8 4,-2.8 1,-0.2 -1,-0.2 0.867 98.0 50.2 -55.2 -45.5 36.4 -2.3 11.5 19 23 A A H > S+ 0 0 48 -4,-0.4 4,-1.2 -3,-0.4 -1,-0.2 0.910 113.6 47.4 -62.1 -40.1 34.7 -1.7 8.1 20 24 A K H X S+ 0 0 139 -4,-0.9 4,-2.4 1,-0.2 5,-0.4 0.889 113.3 47.6 -67.4 -41.1 32.1 -4.4 8.9 21 25 A L H X S+ 0 0 23 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.900 106.9 56.0 -68.5 -40.4 31.4 -2.9 12.4 22 26 A R H < S+ 0 0 15 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.853 115.8 39.8 -60.2 -31.5 31.1 0.6 11.0 23 27 A A H < S+ 0 0 79 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.858 134.8 13.4 -86.3 -38.3 28.4 -0.7 8.7 24 28 A T H < S+ 0 0 116 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.645 138.3 14.4-114.7 -20.8 26.5 -3.1 10.9 25 29 A N < + 0 0 59 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 -0.392 57.5 170.3-158.5 70.8 27.5 -2.6 14.5 26 30 A P S S+ 0 0 38 0, 0.0 16,-1.9 0, 0.0 2,-0.5 0.710 79.4 40.9 -58.2 -27.2 29.4 0.7 15.1 27 31 A V E S+ B 0 41A 1 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.938 83.6 145.3-126.7 107.2 29.2 0.4 18.9 28 32 A S E - B 0 40A 8 12,-1.9 12,-4.0 -2,-0.5 2,-0.3 -0.911 46.4-104.6-140.1 165.7 29.8 -3.2 20.1 29 33 A Q E - B 0 39A 68 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.717 31.5-174.4 -95.0 141.0 31.4 -5.3 22.8 30 34 A V E - B 0 38A 0 8,-2.7 8,-1.5 -2,-0.3 2,-0.5 -0.876 24.9-115.6-126.9 161.3 34.7 -7.1 22.4 31 35 A K E -aB 3 37A 99 -29,-3.2 -27,-2.7 -2,-0.3 6,-0.2 -0.874 25.7-147.7-103.8 129.9 36.5 -9.5 24.8 32 36 A L > - 0 0 5 4,-3.1 3,-3.0 -2,-0.5 36,-0.1 -0.443 35.0 -93.1 -90.0 165.6 39.9 -8.6 26.3 33 37 A F T 3 S+ 0 0 100 -29,-0.4 35,-0.1 1,-0.3 -1,-0.1 0.771 125.7 51.4 -48.1 -34.2 42.7 -10.9 27.2 34 38 A D T 3 S- 0 0 68 33,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.313 121.4-105.1 -89.3 9.2 41.5 -11.3 30.8 35 39 A G S < S+ 0 0 32 -3,-3.0 -2,-0.1 1,-0.3 -1,-0.0 0.294 79.2 132.4 87.3 -11.1 38.0 -12.2 29.7 36 40 A S - 0 0 47 -5,-0.1 -4,-3.1 1,-0.1 -1,-0.3 -0.261 52.1-124.8 -69.9 162.5 36.6 -8.8 30.6 37 41 A L E +B 31 0A 83 -6,-0.2 269,-0.5 -3,-0.1 2,-0.3 -0.675 26.8 178.4-106.8 162.7 34.4 -6.9 28.1 38 42 A A E -B 30 0A 1 -8,-1.5 -8,-2.7 -2,-0.2 2,-0.5 -0.975 31.8-107.6-158.5 155.7 34.7 -3.5 26.7 39 43 A W E -Bc 29 307A 22 267,-3.2 269,-3.5 -2,-0.3 2,-0.6 -0.782 27.5-153.3 -92.2 128.3 32.8 -1.3 24.2 40 44 A L E -Bc 28 308A 0 -12,-4.0 -12,-1.9 -2,-0.5 2,-0.5 -0.902 6.1-161.2-104.6 123.9 34.5 -0.8 20.9 41 45 A V E +Bc 27 309A 0 267,-2.8 269,-2.4 -2,-0.6 -14,-0.2 -0.910 16.6 168.4-107.3 128.6 33.6 2.5 19.0 42 46 A T + 0 0 0 -16,-1.9 2,-0.3 -2,-0.5 -20,-0.1 0.598 43.9 89.7-117.0 -15.9 34.4 2.6 15.3 43 47 A K S > S- 0 0 18 -17,-0.4 4,-2.5 1,-0.1 3,-0.4 -0.683 73.7-126.6 -90.9 141.6 32.7 5.6 13.8 44 48 A H H > S+ 0 0 8 -2,-0.3 4,-2.2 270,-0.3 5,-0.2 0.878 109.2 49.7 -49.0 -48.9 34.5 9.0 13.6 45 49 A K H > S+ 0 0 128 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.886 114.1 45.9 -61.1 -39.3 31.6 11.0 15.3 46 50 A D H > S+ 0 0 21 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.851 109.1 53.9 -72.6 -36.3 31.5 8.4 18.2 47 51 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.915 109.5 49.5 -64.2 -40.7 35.3 8.3 18.6 48 52 A C H X S+ 0 0 19 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.872 109.0 53.2 -64.8 -36.6 35.3 12.1 18.9 49 53 A F H >X S+ 0 0 78 -4,-1.5 4,-2.0 2,-0.2 3,-0.6 0.946 110.3 46.0 -62.9 -48.7 32.5 11.8 21.5 50 54 A V H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.906 109.2 56.6 -61.7 -40.4 34.5 9.3 23.6 51 55 A A H 3< S+ 0 0 7 -4,-2.4 295,-0.4 1,-0.2 294,-0.3 0.751 119.7 28.5 -64.5 -24.7 37.6 11.5 23.4 52 56 A T H << S+ 0 0 71 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.572 83.9 122.0-115.3 -10.7 35.9 14.5 24.8 53 57 A S >< - 0 0 12 -4,-2.0 3,-1.4 1,-0.2 -4,-0.0 -0.341 48.8-153.4 -62.0 126.9 33.1 13.3 27.2 54 58 A E T 3 S+ 0 0 152 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.0 0.578 92.5 68.1 -74.4 -9.7 33.5 14.5 30.7 55 59 A K T 3 S+ 0 0 88 236,-0.1 236,-3.3 2,-0.0 237,-0.8 0.402 91.2 76.7 -89.1 1.8 31.6 11.4 31.9 56 60 A L E < -D 290 0A 7 -3,-1.4 2,-0.3 234,-0.2 234,-0.2 -0.866 68.5-150.4-114.2 149.5 34.5 9.2 30.9 57 61 A S E -D 289 0A 0 232,-2.5 232,-1.3 -2,-0.3 29,-0.1 -0.908 20.1-160.4-124.1 148.4 37.9 8.8 32.7 58 62 A K + 0 0 16 -2,-0.3 2,-0.2 230,-0.2 -1,-0.1 0.496 56.1 122.2 -97.8 -8.2 41.5 8.0 31.7 59 63 A V > - 0 0 40 1,-0.2 3,-1.1 230,-0.1 26,-0.1 -0.388 51.4-156.0 -61.9 121.5 42.5 6.8 35.3 60 64 A R T 3 S+ 0 0 59 24,-0.3 -1,-0.2 1,-0.2 5,-0.1 0.495 85.3 70.7 -80.1 -2.2 43.7 3.3 35.1 61 65 A T T 3 S+ 0 0 117 2,-0.1 2,-0.4 3,-0.1 -1,-0.2 0.425 75.3 104.4 -91.5 0.6 43.0 2.5 38.7 62 66 A R S X S- 0 0 94 -3,-1.1 3,-1.9 1,-0.1 2,-0.1 -0.687 82.3-116.3 -83.2 130.1 39.2 2.5 37.9 63 67 A Q T 3 S+ 0 0 172 -2,-0.4 -2,-0.1 1,-0.3 -1,-0.1 -0.469 102.9 39.5 -64.8 134.7 37.8 -1.0 37.7 64 68 A G T 3 S+ 0 0 31 1,-0.4 -1,-0.3 -2,-0.1 224,-0.1 0.206 75.6 143.9 109.2 -15.3 36.6 -1.5 34.1 65 69 A F < - 0 0 22 -3,-1.9 2,-1.8 1,-0.1 -1,-0.4 -0.395 57.6-118.3 -61.0 131.1 39.5 0.2 32.4 66 70 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.445 37.5 177.7 -75.1 74.6 40.3 -1.7 29.2 67 71 A E - 0 0 11 -2,-1.8 -33,-0.3 1,-0.1 -34,-0.1 -0.625 13.6-160.6 -74.9 131.8 43.9 -2.9 29.6 68 72 A L + 0 0 25 -2,-0.3 2,-0.3 -36,-0.1 -35,-0.3 0.482 62.2 30.1 -96.9 -3.3 44.7 -5.0 26.5 69 73 A S S > S- 0 0 45 1,-0.1 4,-1.7 -37,-0.1 5,-0.1 -0.970 78.1-109.3-150.2 164.7 47.6 -7.1 27.7 70 74 A A H > S+ 0 0 62 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.909 120.7 49.0 -60.7 -43.4 49.1 -8.7 30.8 71 75 A S H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.870 105.4 59.1 -64.9 -37.1 51.9 -6.2 30.9 72 76 A G H > S+ 0 0 12 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.911 102.7 51.8 -58.4 -43.3 49.5 -3.3 30.5 73 77 A K H < S+ 0 0 95 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.836 110.4 50.1 -63.5 -31.7 47.7 -4.4 33.7 74 78 A Q H >< S+ 0 0 141 -4,-1.2 3,-1.7 -3,-0.2 4,-0.3 0.925 107.2 50.9 -72.5 -46.9 51.1 -4.3 35.6 75 79 A A H >< S+ 0 0 59 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.810 94.1 75.1 -60.8 -30.4 52.2 -0.9 34.4 76 80 A A T 3< S+ 0 0 14 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.600 86.5 66.2 -59.4 -9.2 48.8 0.5 35.6 77 81 A K T < S+ 0 0 168 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.782 79.9 93.5 -85.0 -28.7 50.2 0.2 39.1 78 82 A A S < S- 0 0 68 -3,-1.6 -3,-0.0 -4,-0.3 0, 0.0 -0.120 95.8 -81.6 -61.8 160.0 52.9 2.8 38.9 79 83 A K - 0 0 141 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.412 60.2-113.8 -60.8 138.2 52.3 6.4 39.9 80 84 A P - 0 0 64 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.474 23.8-158.4 -84.7 150.1 50.6 8.1 37.0 81 85 A T > - 0 0 19 -2,-0.2 3,-2.2 146,-0.1 4,-0.1 -0.591 50.6 -77.8-108.2 176.0 51.8 10.9 34.8 82 86 A F G > S+ 0 0 10 1,-0.3 3,-1.4 -2,-0.2 12,-0.1 0.672 121.9 73.0 -53.5 -20.8 49.4 13.2 32.8 83 87 A V G 3 S+ 0 0 52 1,-0.3 -1,-0.3 11,-0.0 7,-0.0 0.841 107.2 36.5 -64.0 -29.0 48.8 10.6 30.1 84 88 A D G < S+ 0 0 28 -3,-2.2 -24,-0.3 2,-0.1 -1,-0.3 0.131 101.8 102.9-108.8 20.6 46.6 8.7 32.6 85 89 A M < - 0 0 32 -3,-1.4 -4,-0.0 -26,-0.1 -3,-0.0 -0.676 54.1-149.2-105.9 159.8 45.1 11.7 34.4 86 90 A D > - 0 0 19 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.652 49.6 -38.1-112.7 169.8 41.7 13.4 34.3 87 91 A P T 4 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.424 119.5 19.9 -69.2 151.1 41.1 17.1 34.9 88 92 A P T > S+ 0 0 98 0, 0.0 4,-1.8 0, 0.0 5,-0.1 -0.991 128.5 46.4 -87.6 -11.2 42.2 19.1 36.8 89 93 A E H > S+ 0 0 105 -3,-0.3 4,-2.1 1,-0.2 5,-0.3 0.875 106.0 64.3 -54.5 -41.4 45.4 17.0 37.4 90 94 A H H >X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 3,-0.5 0.949 110.0 31.9 -49.0 -66.8 45.8 16.4 33.7 91 95 A M H 3> S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.802 111.1 67.3 -66.6 -27.1 46.4 20.0 32.5 92 96 A H H 3< S+ 0 0 120 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.911 115.6 27.3 -59.8 -41.3 48.1 20.9 35.8 93 97 A Q H X< S+ 0 0 16 -4,-2.1 3,-1.7 -3,-0.5 4,-0.4 0.893 120.2 54.5 -86.8 -43.5 51.0 18.5 34.9 94 98 A R H >X S+ 0 0 24 -4,-3.0 3,-1.6 -5,-0.3 4,-1.1 0.881 101.1 59.3 -57.8 -40.5 50.8 18.6 31.1 95 99 A S T 3< S+ 0 0 60 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.661 91.2 73.7 -64.1 -13.3 51.0 22.4 31.0 96 100 A M T <4 S+ 0 0 13 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.807 113.6 20.6 -69.4 -28.8 54.4 22.0 32.7 97 101 A V T X4 S+ 0 0 5 -3,-1.6 3,-0.6 -4,-0.4 4,-0.4 0.379 97.9 95.3-120.6 1.2 56.0 20.7 29.5 98 102 A E G >X + 0 0 51 -4,-1.1 3,-2.3 1,-0.2 4,-0.6 0.850 66.0 77.7 -63.0 -37.2 53.6 22.0 26.8 99 103 A P G >4 S+ 0 0 68 0, 0.0 3,-1.0 0, 0.0 6,-0.2 0.826 91.2 53.4 -40.7 -45.5 55.6 25.2 26.0 100 104 A T G <4 S+ 0 0 24 -3,-0.6 -2,-0.2 1,-0.2 -3,-0.0 0.736 110.6 48.6 -66.2 -22.6 58.2 23.3 23.9 101 105 A F G <4 S+ 0 0 5 -3,-2.3 251,-0.3 -4,-0.4 -1,-0.2 0.370 77.9 122.4-102.2 2.8 55.5 21.8 21.8 102 106 A T S S+ 0 0 62 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.891 120.8 50.8 -55.0 -36.9 52.9 25.4 17.1 104 108 A E H > S+ 0 0 119 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.913 110.3 47.3 -66.8 -45.4 55.0 28.6 17.5 105 109 A A H > S+ 0 0 22 -6,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.895 112.0 50.5 -64.2 -40.1 57.8 26.8 19.3 106 110 A V H X S+ 0 0 8 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.861 107.1 54.4 -67.2 -34.8 57.8 24.0 16.7 107 111 A K H >< S+ 0 0 145 -4,-1.8 3,-0.8 -5,-0.3 -1,-0.2 0.891 109.4 47.6 -64.7 -39.1 58.0 26.6 13.9 108 112 A N H 3< S+ 0 0 121 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.694 108.2 57.3 -73.9 -19.1 61.1 28.1 15.5 109 113 A L H >X S+ 0 0 34 -4,-1.0 4,-2.3 1,-0.2 3,-0.6 0.570 80.0 96.0 -85.1 -12.4 62.5 24.6 15.8 110 114 A Q H S+ 0 0 75 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.895 112.4 48.2 -60.2 -35.1 65.8 24.9 11.2 112 116 A Y H <> S+ 0 0 42 -3,-0.6 4,-2.2 -4,-0.3 -2,-0.2 0.898 111.0 50.3 -69.5 -39.5 67.1 22.5 13.9 113 117 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.913 111.5 50.0 -64.4 -39.5 64.8 19.8 12.6 114 118 A Q H X S+ 0 0 51 -4,-2.7 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