==== 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 31-AUG-09 3IV4 . COMPND 2 MOLECULE: PUTATIVE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR Y.FAN,X.XU,H.CUI,J.NG,A.SAVCHENKO,A.JOACHIMIAK,A.EDWARDS,MID . 112 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 13.4 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 . 1 0.9 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 . 7 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.8 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 0 1 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 0 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 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 -5 A N 0 0 161 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-110.7 15.2 32.9 31.2 2 -4 A L - 0 0 124 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.337 360.0-129.7 -70.4 167.0 11.6 31.7 30.7 3 -3 A Y > - 0 0 203 -2,-0.1 3,-2.0 4,-0.0 4,-0.3 0.361 26.0-133.1-105.8 3.9 11.2 28.7 28.3 4 -2 A F G > - 0 0 23 1,-0.3 3,-1.9 2,-0.2 4,-0.1 0.828 62.9 -64.6 49.7 42.8 8.5 30.2 26.2 5 -1 A Q G 3 S- 0 0 161 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.738 84.1 -78.4 57.3 24.4 6.2 27.1 26.2 6 0 A G G < S+ 0 0 45 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.830 81.0 158.8 54.0 36.4 9.0 25.2 24.3 7 1 A V < + 0 0 4 -3,-1.9 50,-3.2 -4,-0.3 2,-0.7 0.745 53.9 72.5 -63.3 -24.1 7.8 26.9 21.2 8 2 A A E S-a 57 0A 13 48,-0.2 2,-0.4 -4,-0.1 50,-0.3 -0.857 70.5-167.9 -98.9 113.4 11.2 26.3 19.5 9 3 A I E -a 58 0A 63 48,-2.7 50,-2.3 -2,-0.7 2,-0.2 -0.843 19.5-120.3-106.4 130.1 11.6 22.6 18.6 10 4 A K E -a 59 0A 112 -2,-0.4 2,-0.4 48,-0.2 50,-0.2 -0.466 18.1-152.4 -73.5 132.6 14.9 21.1 17.5 11 5 A L + 0 0 2 48,-3.1 50,-0.4 -2,-0.2 3,-0.1 -0.871 15.9 176.0 -98.1 136.5 15.3 19.4 14.1 12 6 A S + 0 0 53 -2,-0.4 2,-0.3 1,-0.2 56,-0.1 0.351 58.7 31.8-121.3 2.5 17.9 16.7 13.8 13 7 A S S > S- 0 0 36 1,-0.1 4,-2.1 54,-0.1 -1,-0.2 -0.998 70.1-117.2-155.2 160.0 17.4 15.4 10.2 14 8 A I H > S+ 0 0 58 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.902 116.0 59.4 -58.4 -41.1 16.4 16.2 6.7 15 9 A D H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 107.8 44.3 -53.2 -48.0 13.5 13.7 7.2 16 10 A Q H > S+ 0 0 77 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.886 111.0 53.8 -68.0 -39.7 12.1 15.8 10.0 17 11 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.957 112.3 43.6 -58.2 -51.3 12.6 19.1 8.1 18 12 A E H X S+ 0 0 61 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.882 114.0 52.3 -61.9 -37.7 10.6 17.8 5.2 19 13 A Q H X S+ 0 0 100 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.924 109.7 48.5 -62.7 -44.5 8.0 16.3 7.5 20 14 A V H X S+ 0 0 12 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.935 110.9 47.2 -63.9 -46.8 7.5 19.6 9.3 21 15 A I H < S+ 0 0 3 -4,-2.1 70,-0.3 1,-0.2 -1,-0.2 0.731 116.3 47.3 -73.3 -21.4 7.1 21.8 6.3 22 16 A E H < S+ 0 0 154 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.893 114.1 44.3 -78.5 -45.3 4.7 19.3 4.8 23 17 A E H < S+ 0 0 132 -4,-2.5 2,-0.5 -5,-0.2 -2,-0.2 0.723 111.2 57.1 -76.7 -24.6 2.5 18.8 7.9 24 18 A N < - 0 0 59 -4,-1.9 67,-0.4 -5,-0.2 66,-0.1 -0.945 65.6-153.6-115.7 127.5 2.3 22.5 8.9 25 19 A K S S+ 0 0 102 -2,-0.5 65,-3.0 1,-0.2 2,-0.5 0.931 91.5 35.2 -58.7 -46.7 0.9 25.2 6.5 26 20 A Y E S+B 89 0A 107 63,-0.2 2,-0.4 64,-0.1 -1,-0.2 -0.950 76.3 169.0-120.0 117.2 3.0 27.9 8.2 27 21 A V E -B 88 0A 2 61,-2.6 61,-3.3 -2,-0.5 2,-0.4 -0.987 20.0-163.2-136.9 124.1 6.5 27.1 9.4 28 22 A F E -B 87 0A 1 -2,-0.4 30,-2.3 28,-0.3 2,-0.4 -0.892 13.5-171.4-101.2 139.9 9.4 29.2 10.7 29 23 A V E -Bc 86 58A 0 57,-2.3 57,-2.5 -2,-0.4 2,-0.5 -0.999 4.6-159.3-132.5 131.3 12.8 27.5 10.8 30 24 A L E -Bc 85 59A 0 28,-2.3 30,-2.1 -2,-0.4 2,-0.6 -0.949 12.0-147.7-116.0 125.7 15.9 29.0 12.4 31 25 A K E -Bc 84 60A 0 53,-3.3 53,-1.6 -2,-0.5 2,-0.4 -0.814 31.4-171.4 -81.0 123.3 19.6 28.0 11.8 32 26 A H E - c 0 61A 25 28,-2.7 30,-2.2 -2,-0.6 2,-0.4 -0.935 20.7-148.9-125.0 138.7 21.3 28.6 15.1 33 27 A S > - 0 0 18 -2,-0.4 3,-0.7 28,-0.2 7,-0.1 -0.895 9.7-149.0-102.6 138.5 25.0 28.6 16.2 34 28 A E T 3 S+ 0 0 99 -2,-0.4 -1,-0.1 1,-0.2 27,-0.0 0.523 92.9 47.2 -86.0 -3.6 25.7 27.5 19.8 35 29 A T T 3 S+ 0 0 115 1,-0.0 -1,-0.2 5,-0.0 0, 0.0 0.064 92.6 92.9-122.7 24.6 28.8 29.6 20.3 36 30 A C <> - 0 0 36 -3,-0.7 4,-2.6 1,-0.1 5,-0.2 -0.958 54.2-158.8-133.1 114.4 27.6 33.0 19.0 37 31 A P H > S+ 0 0 99 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.844 100.7 56.4 -53.3 -35.2 25.9 36.0 20.9 38 32 A I H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.931 109.3 45.4 -65.2 -42.5 24.5 37.2 17.6 39 33 A S H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.918 110.8 52.8 -65.3 -42.5 22.8 33.8 17.1 40 34 A A H X S+ 0 0 49 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.888 107.6 52.3 -59.7 -39.4 21.6 33.8 20.7 41 35 A N H X S+ 0 0 109 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.928 111.9 46.3 -61.0 -45.5 20.0 37.2 20.2 42 36 A A H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.895 110.7 51.8 -62.0 -42.4 18.2 35.9 17.1 43 37 A Y H X S+ 0 0 55 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.908 109.1 51.4 -61.5 -42.6 17.1 32.7 19.0 44 38 A D H X S+ 0 0 44 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.932 111.4 46.7 -59.2 -46.4 15.7 35.0 21.7 45 39 A Q H X S+ 0 0 48 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.910 111.5 52.9 -59.0 -42.5 13.7 37.0 19.1 46 40 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.938 111.5 44.7 -60.6 -50.1 12.5 33.8 17.5 47 41 A N H X S+ 0 0 13 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.857 112.6 51.6 -62.6 -40.3 11.2 32.5 20.9 48 42 A K H X S+ 0 0 87 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.926 112.8 45.9 -63.5 -43.3 9.6 35.8 21.8 49 43 A F H X S+ 0 0 1 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.956 115.6 44.1 -63.9 -51.2 7.8 36.0 18.4 50 44 A L H X>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 4,-1.1 0.905 113.6 51.0 -63.1 -42.0 6.6 32.4 18.5 51 45 A Y H ><5S+ 0 0 104 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.918 110.7 48.1 -60.7 -44.2 5.5 32.6 22.2 52 46 A E H 3<5S+ 0 0 145 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.851 115.7 45.9 -65.0 -33.5 3.5 35.8 21.5 53 47 A R H 3<5S- 0 0 111 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.598 104.0-130.4 -82.0 -15.3 1.9 34.0 18.5 54 48 A D T <<5 + 0 0 145 -4,-1.1 2,-0.4 -3,-0.5 -3,-0.2 0.967 65.2 133.6 58.7 51.6 1.2 30.8 20.4 55 49 A X < - 0 0 40 -5,-2.2 2,-0.2 -6,-0.1 -1,-0.2 -0.997 56.5-127.1-138.0 131.2 2.9 29.0 17.4 56 50 A D + 0 0 89 -2,-0.4 -28,-0.3 -3,-0.1 2,-0.3 -0.589 31.3 175.7 -76.2 144.6 5.5 26.3 17.3 57 51 A G E -a 8 0A 0 -50,-3.2 -48,-2.7 -2,-0.2 2,-0.3 -0.807 19.0-123.5-136.0-179.1 8.6 26.8 15.2 58 52 A Y E -ac 9 29A 29 -30,-2.3 -28,-2.3 -2,-0.3 2,-0.3 -0.891 19.6-179.1-132.2 152.8 11.7 24.9 14.6 59 53 A Y E -ac 10 30A 37 -50,-2.3 -48,-3.1 -2,-0.3 2,-0.3 -0.956 9.7-154.6-143.9 163.6 15.5 25.3 14.8 60 54 A L E - c 0 31A 0 -30,-2.1 -28,-2.7 -2,-0.3 2,-0.9 -0.987 24.6-123.5-135.9 149.6 18.7 23.4 14.2 61 55 A I E >> - c 0 32A 25 -50,-0.4 4,-1.5 -2,-0.3 3,-0.5 -0.838 26.9-152.7 -88.3 103.7 22.1 23.6 15.6 62 56 A V G >4 S+ 0 0 0 -30,-2.2 3,-1.0 -2,-0.9 7,-0.3 0.880 89.1 49.8 -43.5 -59.1 24.1 24.2 12.4 63 57 A Q G >4 S+ 0 0 63 -31,-0.3 3,-0.6 1,-0.3 -1,-0.2 0.867 114.8 44.1 -51.9 -44.2 27.4 22.7 13.7 64 58 A Q G <4 S+ 0 0 119 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.699 122.7 36.8 -77.0 -19.1 25.7 19.5 14.9 65 59 A E G S+ 0 0 129 -3,-0.6 4,-3.1 2,-0.2 5,-0.3 0.898 73.8 58.1 -62.9 -40.3 25.6 20.2 8.8 67 61 A D H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.962 111.9 41.9 -50.7 -52.3 23.8 17.8 6.4 68 62 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.886 112.6 53.8 -64.6 -42.2 20.5 19.5 7.3 69 63 A S H X S+ 0 0 2 -4,-2.5 4,-1.8 -7,-0.3 -1,-0.2 0.929 112.5 43.3 -59.5 -46.5 22.0 23.0 7.2 70 64 A D H X S+ 0 0 92 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.879 110.4 57.5 -68.2 -34.1 23.3 22.4 3.7 71 65 A Y H X S+ 0 0 72 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.911 105.7 49.3 -59.9 -44.1 20.0 20.8 2.7 72 66 A I H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 6,-0.3 0.899 108.5 53.6 -64.7 -37.2 18.1 23.9 3.7 73 67 A A H X>S+ 0 0 6 -4,-1.8 4,-1.3 1,-0.2 5,-0.9 0.917 114.2 41.3 -60.6 -43.8 20.6 26.0 1.7 74 68 A K H <5S+ 0 0 157 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.721 110.6 58.8 -75.7 -22.3 19.9 23.8 -1.4 75 69 A K H <5S+ 0 0 74 -4,-1.7 -1,-0.2 -5,-0.2 18,-0.2 0.818 122.6 22.4 -71.8 -31.2 16.2 23.7 -0.6 76 70 A T H <5S- 0 0 16 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.451 96.8-125.8-115.4 -9.4 15.9 27.5 -0.8 77 71 A N T <5 + 0 0 128 -4,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.776 68.8 132.8 51.6 31.3 18.9 28.5 -2.9 78 72 A V < - 0 0 26 -5,-0.9 -1,-0.2 -6,-0.3 -2,-0.2 -0.945 61.4-119.1-109.8 120.1 19.9 30.8 -0.1 79 73 A K - 0 0 143 -2,-0.5 -9,-0.0 1,-0.1 -5,-0.0 -0.256 42.5 -87.3 -63.6 145.6 23.6 30.5 0.8 80 74 A H + 0 0 67 -10,-0.0 2,-0.3 4,-0.0 -1,-0.1 -0.220 54.2 159.8 -58.4 133.9 24.2 29.5 4.3 81 75 A E - 0 0 80 -3,-0.1 3,-0.1 18,-0.0 -50,-0.1 -0.947 33.8-110.7-137.4 163.8 24.4 32.1 7.2 82 76 A S S S+ 0 0 20 1,-0.3 -50,-0.1 -2,-0.3 -43,-0.1 -0.966 100.6 27.8-143.8 130.8 24.0 31.7 10.9 83 77 A P S S+ 0 0 0 0, 0.0 16,-2.3 0, 0.0 2,-0.3 0.600 88.7 157.0 -74.5 155.1 21.8 32.8 12.5 84 78 A Q E -BD 31 98A 1 -53,-1.6 -53,-3.3 14,-0.2 2,-0.4 -0.977 22.9-159.3-150.4 129.0 19.4 32.5 9.6 85 79 A A E -BD 30 97A 0 12,-3.2 12,-1.9 -2,-0.3 2,-0.3 -0.880 6.1-170.2-118.5 145.7 15.6 32.3 9.7 86 80 A F E -BD 29 96A 0 -57,-2.5 -57,-2.3 -2,-0.4 2,-0.5 -0.951 12.0-150.5-131.5 149.2 13.2 31.1 7.0 87 81 A Y E -BD 28 95A 9 8,-2.2 7,-2.7 -2,-0.3 8,-1.0 -0.991 13.7-165.6-122.9 122.2 9.4 31.1 6.6 88 82 A F E -BD 27 93A 2 -61,-3.3 -61,-2.6 -2,-0.5 2,-0.5 -0.925 6.2-169.4-109.9 130.1 7.7 28.3 4.7 89 83 A V E > S-BD 26 92A 32 3,-2.6 3,-1.7 -2,-0.5 -63,-0.2 -0.985 81.7 -17.4-119.1 119.6 4.1 28.5 3.5 90 84 A N T 3 S- 0 0 109 -65,-3.0 -1,-0.2 -2,-0.5 -65,-0.1 0.883 130.4 -52.3 46.3 44.4 2.8 25.2 2.2 91 85 A G T 3 S+ 0 0 19 -67,-0.4 2,-0.4 -66,-0.4 -1,-0.3 0.405 117.3 107.7 84.5 -4.8 6.3 23.9 1.9 92 86 A E E < S-D 89 0A 141 -3,-1.7 -3,-2.6 -71,-0.1 -1,-0.2 -0.900 71.6-116.0-113.1 135.3 7.6 26.8 -0.1 93 87 A X E +D 88 0A 52 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.379 36.5 164.7 -67.1 143.7 9.9 29.5 1.1 94 88 A V E + 0 0 80 -7,-2.7 2,-0.3 1,-0.4 -6,-0.1 0.477 62.7 14.2-132.2 -8.1 8.5 33.0 1.1 95 89 A W E +D 87 0A 22 -8,-1.0 -8,-2.2 2,-0.0 -1,-0.4 -0.967 52.8 177.3-164.0 146.2 11.0 34.9 3.4 96 90 A N E +D 86 0A 41 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.979 1.8 175.6-148.6 156.4 14.4 34.7 5.0 97 91 A R E -D 85 0A 91 -12,-1.9 -12,-3.2 -2,-0.3 2,-0.3 -0.969 11.3-155.5-148.2 160.6 16.6 37.0 7.1 98 92 A D E > -D 84 0A 50 -2,-0.3 3,-1.9 -14,-0.2 -14,-0.2 -0.900 50.7 -8.4-137.5 166.3 19.9 36.6 8.8 99 93 A H G > S- 0 0 65 -16,-2.3 3,-2.0 -2,-0.3 -14,-0.0 -0.130 128.2 -5.0 50.1-137.5 21.9 38.0 11.7 100 94 A G G 3 S+ 0 0 59 1,-0.3 -1,-0.3 3,-0.0 -61,-0.0 0.596 121.7 76.7 -64.7 -11.2 20.4 41.1 13.3 101 95 A D G < S+ 0 0 97 -3,-1.9 2,-0.9 1,-0.1 -1,-0.3 0.533 74.6 90.2 -74.3 -6.5 17.6 41.2 10.8 102 96 A I < + 0 0 4 -3,-2.0 2,-0.3 -4,-0.1 -57,-0.2 -0.822 60.4 128.7 -88.5 105.7 16.0 38.3 12.6 103 97 A N S > S- 0 0 43 -2,-0.9 4,-2.6 -58,-0.1 5,-0.3 -0.949 74.0 -91.5-152.2 170.0 13.8 40.1 15.2 104 98 A V H > S+ 0 0 49 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.838 123.3 49.0 -58.4 -35.2 10.2 40.0 16.4 105 99 A S H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 111.7 46.7 -72.8 -39.2 9.1 42.7 13.9 106 100 A S H > S+ 0 0 6 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.898 111.9 51.4 -70.0 -37.6 10.8 41.1 10.8 107 101 A L H X S+ 0 0 0 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.913 110.7 49.7 -60.6 -41.5 9.3 37.7 11.7 108 102 A A H >< S+ 0 0 25 -4,-1.7 3,-1.0 -5,-0.3 4,-0.4 0.907 107.9 52.8 -65.2 -39.3 5.9 39.4 12.0 109 103 A Q H >< S+ 0 0 100 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.836 98.1 66.7 -63.1 -32.5 6.4 41.1 8.6 110 104 A A H 3< S+ 0 0 13 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.805 98.8 52.5 -58.2 -30.7 7.1 37.7 7.0 111 105 A E T << 0 0 65 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.647 360.0 360.0 -80.3 -16.6 3.5 36.7 7.7 112 106 A E < 0 0 193 -3,-1.3 -3,-0.0 -4,-0.4 -4,-0.0 -0.078 360.0 360.0 -67.1 360.0 1.8 39.7 6.0