==== 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 15-MAY-06 2H0U . COMPND 2 MOLECULE: NADPH-FLAVIN OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR C.CHANG,X.XU,H.ZHENG,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDW . 196 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 12.2 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 . 0 0.0 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 . 15 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 1 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 D > 0 0 121 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 178.7 -4.3 -6.0 31.0 2 3 A R H > + 0 0 189 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.860 360.0 57.7 -65.9 -31.9 -4.1 -3.0 33.3 3 4 A E H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 109.9 44.8 -61.4 -41.5 -0.9 -4.2 34.8 4 5 A Q H > S+ 0 0 145 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.892 111.3 53.3 -70.0 -41.5 0.8 -4.3 31.4 5 6 A V H X S+ 0 0 87 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.932 112.3 43.7 -60.1 -48.1 -0.7 -0.9 30.5 6 7 A V H >X S+ 0 0 87 -4,-2.8 3,-1.1 1,-0.2 4,-0.7 0.932 110.0 57.3 -64.5 -43.5 0.8 0.7 33.7 7 8 A A H >X S+ 0 0 55 -4,-2.5 4,-1.9 1,-0.3 3,-1.5 0.886 100.5 57.8 -51.6 -43.4 4.1 -1.1 33.2 8 9 A L H 3X S+ 0 0 34 -4,-2.1 4,-2.1 1,-0.3 -1,-0.3 0.804 97.4 61.2 -56.9 -33.3 4.5 0.4 29.7 9 10 A Q H << S+ 0 0 77 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.712 107.2 45.4 -70.1 -20.3 4.3 3.9 31.3 10 11 A H H << S+ 0 0 100 -3,-1.5 -2,-0.2 -4,-0.7 -1,-0.2 0.796 109.2 54.8 -87.7 -36.5 7.5 3.0 33.3 11 12 A Q H < S+ 0 0 79 -4,-1.9 2,-0.7 170,-0.1 -2,-0.2 0.856 96.2 74.6 -58.5 -41.1 9.2 1.6 30.2 12 13 A R < + 0 0 43 -4,-2.1 2,-0.3 -5,-0.2 127,-0.1 -0.701 69.2 144.7 -75.9 113.4 8.6 4.9 28.4 13 14 A F - 0 0 3 -2,-0.7 2,-1.5 127,-0.2 127,-0.7 -0.925 62.6 -84.0-143.8 170.1 11.1 7.3 30.0 14 15 A A B -a 140 0A 35 -2,-0.3 2,-0.5 168,-0.1 127,-0.2 -0.613 48.8-155.8 -81.7 93.0 13.2 10.2 28.8 15 16 A A + 0 0 1 125,-2.3 158,-0.1 -2,-1.5 3,-0.1 -0.574 22.5 171.5 -74.4 123.4 16.2 8.3 27.3 16 17 A K + 0 0 141 -2,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.597 64.1 57.3-105.1 -17.8 19.3 10.5 27.3 17 18 A K - 0 0 134 2,-0.0 161,-3.2 162,-0.0 2,-0.3 -0.981 69.6-168.5-122.6 123.9 21.9 7.8 26.3 18 19 A Y B -E 177 0B 36 -2,-0.5 159,-0.3 159,-0.3 160,-0.0 -0.817 30.0-111.9-120.0 148.1 21.5 5.8 23.1 19 20 A D > - 0 0 46 157,-3.6 3,-1.5 -2,-0.3 157,-0.3 -0.689 25.9-159.7 -76.6 110.3 23.1 2.8 21.6 20 21 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 158,-0.0 0.627 85.9 55.6 -74.5 -7.5 25.0 4.2 18.6 21 22 A N T 3 S+ 0 0 151 1,-0.1 2,-0.5 2,-0.0 -2,-0.0 0.264 95.0 70.3-106.8 14.4 25.2 0.7 16.9 22 23 A R < - 0 0 137 -3,-1.5 154,-0.5 154,-0.1 2,-0.3 -0.982 62.7-171.6-130.3 120.2 21.5 -0.2 16.9 23 24 A R - 0 0 126 -2,-0.5 2,-0.3 152,-0.1 152,-0.1 -0.795 32.2-102.6-112.8 156.8 19.1 1.6 14.5 24 25 A I - 0 0 5 -2,-0.3 152,-0.0 150,-0.1 150,-0.0 -0.576 49.2-112.1 -69.9 134.1 15.3 1.6 14.2 25 26 A S > - 0 0 54 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.268 21.2-111.7 -68.0 155.8 14.5 -0.6 11.2 26 27 A Q H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.916 118.2 47.1 -52.9 -45.1 13.0 1.0 8.1 27 28 A K H > S+ 0 0 164 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.905 111.1 49.5 -69.6 -40.1 9.6 -0.7 8.7 28 29 A D H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 112.0 50.1 -62.5 -42.1 9.4 0.2 12.4 29 30 A W H X S+ 0 0 16 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.927 108.0 52.0 -64.3 -40.3 10.2 3.8 11.6 30 31 A E H X S+ 0 0 110 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.883 108.7 52.3 -64.7 -36.1 7.5 3.9 8.9 31 32 A A H X S+ 0 0 46 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.922 108.4 49.8 -65.6 -39.9 5.0 2.6 11.4 32 33 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.902 109.3 50.9 -66.7 -37.3 5.9 5.3 13.9 33 34 A V H X S+ 0 0 58 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.926 109.0 53.0 -65.2 -40.6 5.5 8.0 11.2 34 35 A E H X S+ 0 0 73 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.892 103.9 54.9 -57.7 -44.0 2.1 6.4 10.5 35 36 A V H < S+ 0 0 44 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.937 110.3 47.2 -51.4 -45.5 1.2 6.7 14.2 36 37 A G H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.908 110.1 52.6 -65.5 -43.8 2.0 10.5 13.9 37 38 A R H 3< S+ 0 0 139 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.896 110.1 48.9 -56.5 -39.4 -0.1 10.7 10.7 38 39 A L T 3< S+ 0 0 110 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.448 82.1 124.7 -87.4 -0.6 -3.1 9.1 12.4 39 40 A A < - 0 0 7 -3,-1.1 2,-0.1 -4,-0.4 86,-0.1 -0.247 62.3-115.9 -59.0 147.1 -3.0 11.4 15.5 40 41 A P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 85,-0.1 -0.448 32.8-175.1 -79.0 158.9 -6.3 13.3 16.4 41 42 A S > - 0 0 18 -2,-0.1 3,-2.3 83,-0.1 77,-0.1 -0.981 38.9 -77.3-149.3 156.4 -6.4 17.1 16.4 42 43 A S G > S- 0 0 33 -2,-0.3 3,-1.7 1,-0.3 4,-0.1 -0.333 119.1 -1.9 -57.8 126.4 -9.0 19.7 17.3 43 44 A I G 3 S- 0 0 49 1,-0.3 -1,-0.3 2,-0.1 55,-0.0 0.613 116.5 -88.4 67.3 18.1 -11.7 19.9 14.5 44 45 A G G < S+ 0 0 21 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.755 88.8 141.3 50.4 31.1 -9.6 17.3 12.7 45 46 A L < - 0 0 1 -3,-1.7 3,-0.2 2,-0.1 -2,-0.1 0.669 46.7-150.9 -81.4 -13.8 -7.5 20.1 11.1 46 47 A E - 0 0 50 1,-0.2 2,-2.6 -4,-0.1 -3,-0.1 0.933 17.2-172.9 45.3 58.0 -4.1 18.2 11.4 47 48 A P + 0 0 0 0, 0.0 19,-2.7 0, 0.0 2,-0.3 -0.292 46.2 85.9 -84.8 59.2 -2.4 21.6 11.6 48 49 A W E -B 65 0A 24 -2,-2.6 2,-0.3 17,-0.3 17,-0.2 -0.917 51.4-163.3-148.8 163.7 1.1 20.1 11.5 49 50 A K E -B 64 0A 115 15,-1.9 15,-2.6 -2,-0.3 2,-0.4 -0.873 19.0-145.0-156.5 133.9 4.0 18.8 9.5 50 51 A X E -B 63 0A 49 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.811 8.1-159.6 -99.3 142.9 6.9 16.6 10.7 51 52 A L E -B 62 0A 28 11,-2.7 11,-2.9 -2,-0.4 2,-0.7 -0.962 9.7-147.0-119.4 131.0 10.5 16.7 9.6 52 53 A L E -B 61 0A 71 -2,-0.4 2,-1.4 9,-0.2 3,-0.3 -0.872 13.6-146.5 -90.6 116.9 13.0 13.9 10.0 53 54 A L + 0 0 82 7,-3.0 7,-0.5 -2,-0.7 -2,-0.0 -0.737 43.8 144.8 -85.2 93.8 16.4 15.5 10.5 54 55 A K 0 0 164 -2,-1.4 -1,-0.2 5,-0.1 7,-0.0 0.753 360.0 360.0 -94.3 -38.7 18.5 12.9 8.7 55 56 A N 0 0 130 -3,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.177 360.0 360.0 -50.6 360.0 21.1 15.3 7.3 56 ! 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 57 77 A A 0 0 75 0, 0.0 118,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 161.4 19.6 8.6 18.7 58 78 A S + 0 0 19 116,-0.9 2,-0.4 1,-0.2 117,-0.2 0.904 360.0 19.5 -70.3 -44.4 18.4 6.7 15.6 59 79 A H E - C 0 174A 5 115,-2.7 115,-2.5 2,-0.0 2,-0.5 -0.988 62.1-161.2-137.8 131.3 15.8 9.2 14.4 60 80 A F E - C 0 173A 62 -7,-0.5 -7,-3.0 -2,-0.4 2,-0.4 -0.938 12.1-165.2-119.7 119.8 15.3 12.9 15.2 61 81 A V E -BC 52 172A 4 111,-3.2 111,-1.9 -2,-0.5 2,-0.6 -0.840 10.9-161.5-111.1 132.4 11.9 14.6 14.5 62 82 A I E -BC 51 171A 5 -11,-2.9 -11,-2.7 -2,-0.4 2,-0.6 -0.968 17.1-149.4-109.0 117.1 11.1 18.3 14.4 63 83 A Y E -BC 50 170A 0 107,-2.8 106,-3.1 -2,-0.6 107,-1.3 -0.783 11.9-163.3 -88.5 120.3 7.3 18.8 14.8 64 84 A L E -BC 49 168A 2 -15,-2.6 -15,-1.9 -2,-0.6 2,-0.4 -0.807 2.1-158.5-100.9 147.0 6.0 21.9 13.0 65 85 A A E -BC 48 167A 0 102,-2.2 102,-2.4 -2,-0.3 -17,-0.3 -0.935 24.1-111.4-121.7 141.1 2.6 23.5 13.7 66 86 A R E - C 0 166A 49 -19,-2.7 3,-0.3 -2,-0.4 2,-0.3 -0.530 26.0-134.6 -76.9 146.6 0.7 25.7 11.3 67 87 A K S S+ 0 0 65 98,-2.1 3,-0.1 -2,-0.2 45,-0.1 -0.714 78.1 15.2 -94.4 149.5 0.2 29.4 11.9 68 88 A G + 0 0 19 43,-0.3 2,-1.6 -2,-0.3 -1,-0.2 0.850 67.5 171.7 61.7 45.4 -3.0 31.4 11.4 69 89 A V + 0 0 1 -3,-0.3 2,-0.2 45,-0.1 -1,-0.2 -0.651 23.0 151.2 -92.0 84.0 -5.3 28.4 11.3 70 90 A T > - 0 0 33 -2,-1.6 3,-2.2 -3,-0.1 6,-0.3 -0.698 62.8 -98.5-117.7 167.1 -8.5 30.3 11.4 71 91 A Y T 3 S+ 0 0 44 1,-0.3 28,-0.1 -2,-0.2 27,-0.1 0.767 124.7 41.6 -59.2 -29.5 -12.1 29.8 10.1 72 92 A D T 3 S+ 0 0 88 4,-0.1 -1,-0.3 27,-0.0 2,-0.1 0.221 90.5 120.6-102.0 11.4 -11.4 32.0 7.1 73 93 A S <> - 0 0 18 -3,-2.2 4,-1.9 1,-0.1 5,-0.2 -0.446 69.8-126.2 -81.7 151.8 -7.9 30.6 6.4 74 94 A D H > S+ 0 0 150 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.875 109.7 55.9 -56.3 -39.9 -6.8 29.0 3.1 75 95 A Y H > S+ 0 0 36 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.900 105.9 48.4 -64.9 -44.0 -5.5 25.9 5.1 76 96 A V H > S+ 0 0 0 -6,-0.3 4,-2.3 2,-0.2 5,-0.2 0.940 112.6 48.2 -63.3 -44.7 -8.8 25.2 6.9 77 97 A K H X S+ 0 0 107 -4,-1.9 4,-1.9 1,-0.2 11,-0.2 0.938 114.0 50.5 -59.3 -41.8 -10.8 25.5 3.6 78 98 A K H X S+ 0 0 122 -4,-2.5 4,-2.8 1,-0.2 5,-0.4 0.917 111.6 43.0 -63.4 -50.0 -8.2 23.1 2.1 79 99 A V H X>S+ 0 0 5 -4,-3.0 5,-2.1 1,-0.2 4,-1.8 0.892 112.5 54.7 -65.2 -38.2 -8.2 20.4 4.7 80 100 A X H <5S+ 0 0 4 -4,-2.3 6,-3.0 -5,-0.3 -1,-0.2 0.906 118.2 35.0 -62.5 -40.4 -12.0 20.5 4.9 81 101 A H H X5S+ 0 0 64 -4,-1.9 4,-0.9 4,-0.3 -2,-0.2 0.972 125.5 36.5 -75.0 -59.5 -12.3 19.9 1.1 82 102 A E H <5S+ 0 0 115 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.861 132.7 21.1 -73.0 -38.1 -9.3 17.6 0.4 83 103 A V T <5S+ 0 0 76 -4,-1.8 -3,-0.2 -5,-0.4 -1,-0.1 0.894 134.4 32.8 -95.5 -48.4 -9.3 15.4 3.6 84 104 A K T 4 - 0 0 76 -2,-0.1 3,-2.1 1,-0.0 6,-0.4 -0.991 45.1-112.8-149.4 154.3 -17.1 28.0 3.0 90 110 A T T 3 S+ 0 0 52 -2,-0.3 -2,-0.0 1,-0.3 -19,-0.0 0.666 111.4 53.9 -64.4 -17.4 -16.6 30.9 5.3 91 111 A N T 3 S+ 0 0 133 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.356 82.7 111.5 -99.9 5.0 -20.3 31.8 5.5 92 112 A S S <> S- 0 0 31 -3,-2.1 4,-2.2 1,-0.1 5,-0.2 -0.390 80.9-114.4 -72.2 155.5 -21.6 28.4 6.5 93 113 A R H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.934 120.3 52.5 -45.7 -49.1 -23.1 27.7 10.0 94 114 A F H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 106.8 49.5 -62.0 -44.8 -20.1 25.3 10.5 95 115 A A H > S+ 0 0 0 -6,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.883 112.0 50.6 -56.8 -41.7 -17.5 28.0 9.5 96 116 A Q H X S+ 0 0 75 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.823 106.7 53.9 -69.1 -31.2 -19.2 30.3 12.0 97 117 A I H X S+ 0 0 112 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.927 110.5 47.1 -66.1 -42.8 -19.1 27.6 14.7 98 118 A I H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.926 111.1 52.0 -61.8 -46.9 -15.3 27.4 14.1 99 119 A K H X S+ 0 0 56 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.941 113.7 42.2 -55.6 -53.0 -15.0 31.2 14.2 100 120 A N H X>S+ 0 0 71 -4,-2.5 4,-2.2 1,-0.2 5,-2.2 0.896 112.9 54.4 -60.9 -43.4 -16.9 31.4 17.6 101 121 A F H <>S+ 0 0 51 -4,-2.5 5,-2.1 3,-0.2 6,-0.2 0.944 117.0 35.6 -55.5 -52.3 -15.1 28.4 19.0 102 122 A Q H <5S+ 0 0 4 -4,-2.6 6,-3.5 3,-0.2 -2,-0.2 0.940 124.5 38.1 -69.5 -50.0 -11.6 29.9 18.3 103 123 A E H <5S+ 0 0 62 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.865 135.0 14.1 -71.4 -40.6 -12.3 33.6 18.9 104 124 A N T <5S+ 0 0 86 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.867 127.4 43.4-108.1 -55.1 -14.6 33.4 21.9 105 125 A D T S- 0 0 55 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.964 84.6-107.7-146.4 162.3 -3.5 36.7 18.3 111 131 A E H > S+ 0 0 122 -2,-0.3 4,-2.5 1,-0.2 -43,-0.3 0.938 119.9 48.8 -58.2 -42.7 -0.9 35.1 16.0 112 132 A R H > S+ 0 0 167 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.916 110.1 49.1 -65.1 -44.2 0.9 33.6 19.0 113 133 A S H > S+ 0 0 32 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.897 113.2 48.6 -64.0 -37.3 -2.3 32.2 20.7 114 134 A L H X S+ 0 0 8 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.897 112.6 48.1 -65.7 -46.3 -3.3 30.6 17.3 115 135 A F H X S+ 0 0 22 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.935 111.0 49.5 -60.6 -46.4 0.1 29.1 16.8 116 136 A D H X S+ 0 0 56 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.829 107.2 56.6 -65.7 -31.1 0.3 27.7 20.4 117 137 A W H X S+ 0 0 5 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.941 110.4 43.2 -60.9 -46.5 -3.2 26.2 19.9 118 138 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 -52,-0.2 -2,-0.2 0.866 110.8 57.8 -65.4 -38.5 -1.9 24.3 16.8 119 139 A S H X S+ 0 0 12 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.900 98.5 58.7 -59.5 -42.0 1.2 23.4 18.7 120 140 A K H >X S+ 0 0 134 -4,-2.1 4,-1.1 1,-0.2 3,-0.5 0.892 102.3 54.8 -50.9 -42.2 -0.9 21.7 21.5 121 141 A Q H >X S+ 0 0 18 -4,-1.1 4,-1.8 1,-0.2 3,-0.6 0.907 103.6 55.4 -62.6 -40.2 -2.2 19.4 18.8 122 142 A T H 3X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.757 97.7 62.5 -64.5 -23.4 1.4 18.4 17.8 123 143 A Y H S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 3,-0.4 0.942 106.7 50.6 -57.7 -44.8 7.7 3.5 20.2 134 154 A A H ><5S+ 0 0 2 -4,-2.2 3,-1.7 1,-0.3 -2,-0.2 0.915 105.1 56.2 -62.9 -41.5 7.5 2.1 23.7 135 155 A X H 3<5S+ 0 0 147 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.872 109.8 46.8 -55.9 -34.7 5.1 -0.6 22.5 136 156 A L T 3<5S- 0 0 79 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.398 121.8-107.1 -86.5 1.7 7.8 -1.6 20.0 137 157 A G T < 5S+ 0 0 32 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.682 77.5 134.9 79.6 22.6 10.6 -1.6 22.5 138 158 A I < - 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