==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 12-MAR-09 2WCI . COMPND 2 MOLECULE: GLUTAREDOXIN-4; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.IWEMA,A.PICCHIOCCI,D.A.K.TRAORE,J.-L.FERRER,F.CHAUVAT, L.J . 225 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 10.7 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 . 4 1.8 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 . 1 0.4 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 . 10 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 2 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 167 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 140.2 50.7 17.7 17.5 2 2 A S > - 0 0 40 1,-0.0 4,-2.2 0, 0.0 5,-0.1 -0.905 360.0-109.1-136.7 164.0 49.2 20.8 19.1 3 3 A T H > S+ 0 0 113 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.815 120.8 54.2 -63.3 -30.6 47.1 20.9 22.3 4 4 A T H > S+ 0 0 21 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 105.8 49.8 -72.6 -34.9 44.1 21.7 20.1 5 5 A I H > S+ 0 0 22 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.949 111.0 51.9 -62.8 -43.3 44.6 18.7 17.9 6 6 A E H X S+ 0 0 94 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.927 109.5 49.3 -56.2 -43.7 44.8 16.7 21.1 7 7 A K H X S+ 0 0 64 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.925 111.6 47.6 -61.6 -48.2 41.5 18.3 22.3 8 8 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.878 109.0 55.2 -57.2 -42.2 39.7 17.5 18.9 9 9 A Q H X S+ 0 0 67 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.913 108.2 48.3 -61.8 -39.6 41.0 13.9 19.1 10 10 A R H X S+ 0 0 121 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.910 110.6 51.2 -63.8 -44.1 39.5 13.4 22.5 11 11 A Q H X S+ 0 0 39 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.945 114.4 43.2 -60.3 -47.1 36.2 14.9 21.4 12 12 A I H < S+ 0 0 11 -4,-2.6 66,-0.4 1,-0.2 -1,-0.2 0.861 116.8 46.2 -68.4 -38.0 36.0 12.6 18.4 13 13 A A H < S+ 0 0 85 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.834 118.0 43.1 -74.7 -30.4 37.2 9.5 20.3 14 14 A E H < S+ 0 0 136 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.614 110.3 55.8 -89.9 -16.1 34.8 10.2 23.2 15 15 A N < - 0 0 53 -4,-1.4 63,-0.3 -5,-0.2 -1,-0.2 -0.894 60.8-167.7-125.9 100.3 31.6 11.1 21.2 16 16 A P S S+ 0 0 41 0, 0.0 61,-2.9 0, 0.0 2,-0.4 0.716 87.0 37.4 -66.6 -18.4 30.5 8.5 18.7 17 17 A I E S+A 76 0A 8 59,-0.2 31,-2.6 60,-0.1 2,-0.4 -0.936 80.6 162.3-133.0 109.8 28.1 10.9 17.1 18 18 A L E -Ab 75 48A 3 57,-2.5 57,-2.9 -2,-0.4 2,-0.6 -0.988 21.9-165.5-139.9 125.7 29.5 14.4 16.9 19 19 A L E -Ab 74 49A 1 29,-2.4 31,-2.0 -2,-0.4 2,-0.5 -0.945 6.4-159.5-117.3 116.3 28.6 17.4 14.9 20 20 A Y E +Ab 73 50A 0 53,-2.8 53,-2.3 -2,-0.6 2,-0.3 -0.824 36.4 154.5 -85.1 127.9 30.9 20.4 14.6 21 21 A M E - b 0 51A 0 29,-2.8 31,-2.4 -2,-0.5 2,-0.6 -0.915 51.5 -95.4-148.7 172.0 28.7 23.3 13.5 22 22 A K S S- 0 0 32 -2,-0.3 7,-2.6 29,-0.2 8,-0.5 -0.859 96.8 -10.9 -96.2 118.6 28.1 27.1 13.5 23 23 A G B S-D 28 0B 2 -2,-0.6 -2,-0.2 5,-0.3 30,-0.2 -0.520 100.7 -62.0 87.4-161.8 25.9 27.9 16.4 24 24 A S - 0 0 29 3,-1.6 3,-0.3 -2,-0.2 -2,-0.1 -0.763 45.0-102.0-120.1 165.0 24.0 25.3 18.5 25 25 A P S S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 16,-0.0 0.859 125.0 44.4 -55.5 -35.5 21.3 22.8 17.5 26 26 A K S S+ 0 0 198 1,-0.2 -3,-0.0 -3,-0.0 8,-0.0 0.771 130.4 23.5 -79.0 -25.2 18.7 25.0 19.0 27 27 A L S S- 0 0 104 -3,-0.3 -3,-1.6 0, 0.0 -1,-0.2 -0.635 78.8-170.9-141.1 75.6 20.1 28.2 17.4 28 28 A P B -D 23 0B 30 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.351 14.3-152.6 -70.5 152.9 22.1 27.4 14.3 29 29 A S S S+ 0 0 16 -7,-2.6 2,-0.3 1,-0.2 -6,-0.2 0.291 75.7 36.3-108.7 6.0 24.1 30.4 12.8 30 30 A C S > S- 0 0 21 -8,-0.5 4,-2.7 1,-0.1 3,-0.5 -0.963 75.6-124.5-161.7 136.3 24.2 29.2 9.2 31 31 A G H > S+ 0 0 37 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.827 111.4 57.3 -56.4 -35.1 21.8 27.3 6.9 32 32 A F H > S+ 0 0 118 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.916 112.0 41.6 -61.9 -42.9 24.4 24.6 6.2 33 33 A S H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.885 114.2 52.5 -70.6 -41.7 24.7 23.8 9.9 34 34 A A H X S+ 0 0 34 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.928 111.1 47.0 -57.6 -50.0 20.8 24.1 10.4 35 35 A Q H X S+ 0 0 86 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.913 114.2 46.6 -58.6 -47.7 20.2 21.6 7.6 36 36 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.929 113.2 48.3 -62.6 -42.7 22.8 19.1 8.9 37 37 A V H X S+ 0 0 9 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.868 110.1 52.8 -69.8 -33.6 21.6 19.4 12.5 38 38 A Q H X S+ 0 0 145 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.948 112.8 43.5 -64.1 -51.5 17.9 18.9 11.4 39 39 A A H < S+ 0 0 6 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.894 117.0 47.1 -60.6 -42.5 18.7 15.7 9.4 40 40 A L H >< S+ 0 0 4 -4,-2.6 3,-1.8 -5,-0.2 5,-0.4 0.970 113.3 47.1 -66.0 -51.2 20.9 14.4 12.2 41 41 A A H >< S+ 0 0 47 -4,-2.8 3,-2.1 1,-0.3 -1,-0.2 0.857 102.2 64.6 -59.4 -37.7 18.5 15.1 15.0 42 42 A A T 3< S+ 0 0 54 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.656 85.4 74.5 -61.7 -15.5 15.6 13.5 13.0 43 43 A C T < S- 0 0 19 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.693 103.1-133.1 -72.1 -18.1 17.5 10.2 13.3 44 44 A G < + 0 0 62 -3,-2.1 2,-0.3 -4,-0.3 -2,-0.1 0.677 62.0 115.1 81.4 21.0 16.3 10.2 16.9 45 45 A E S S- 0 0 60 -5,-0.4 -1,-0.2 -4,-0.1 -2,-0.1 -0.857 74.2 -88.3-120.2 157.6 19.5 9.3 18.8 46 46 A R + 0 0 217 -2,-0.3 2,-0.3 58,-0.0 -1,-0.0 -0.381 49.7 178.9 -61.3 137.7 21.7 11.3 21.2 47 47 A F - 0 0 52 -31,-0.0 2,-0.3 -2,-0.0 -29,-0.2 -0.981 21.1-138.3-137.9 152.7 24.3 13.4 19.5 48 48 A A E -b 18 0A 27 -31,-2.6 -29,-2.4 -2,-0.3 2,-0.3 -0.732 20.1-163.7-101.9 153.8 27.0 15.8 20.8 49 49 A Y E -b 19 0A 113 -2,-0.3 2,-0.4 -31,-0.2 -29,-0.2 -0.972 13.2-156.5-133.1 156.7 27.8 19.2 19.1 50 50 A V E -b 20 0A 14 -31,-2.0 -29,-2.8 -2,-0.3 2,-1.0 -0.997 16.0-143.0-128.4 127.1 30.6 21.7 19.2 51 51 A D E > -b 21 0A 24 -2,-0.4 3,-2.1 -31,-0.2 -29,-0.2 -0.790 11.3-165.9 -87.6 103.0 29.9 25.3 18.2 52 52 A I G > S+ 0 0 1 -31,-2.4 3,-0.7 -2,-1.0 7,-0.3 0.631 83.1 70.6 -70.7 -9.2 33.0 26.3 16.3 53 53 A L G 3 S+ 0 0 31 -32,-0.5 -1,-0.3 1,-0.2 -31,-0.1 0.577 104.3 42.1 -80.9 -7.0 32.0 29.9 16.5 54 54 A Q G < S+ 0 0 132 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.226 112.0 59.0-111.8 10.4 32.7 29.7 20.3 55 55 A N <> + 0 0 48 -3,-0.7 4,-2.5 -4,-0.1 3,-0.3 -0.640 57.8 174.2-141.1 75.2 35.9 27.7 19.8 56 56 A P H > S+ 0 0 98 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.806 79.7 57.8 -58.6 -31.7 38.3 29.7 17.7 57 57 A D H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.926 110.7 43.1 -63.8 -45.5 41.1 27.1 18.2 58 58 A I H > S+ 0 0 0 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.922 110.6 54.7 -66.7 -43.5 38.9 24.4 16.7 59 59 A R H < S+ 0 0 79 -4,-2.5 -1,-0.2 -7,-0.3 -2,-0.2 0.904 114.7 42.2 -53.3 -40.1 37.7 26.6 13.9 60 60 A A H < S+ 0 0 54 -4,-1.9 4,-0.3 -5,-0.2 -2,-0.2 0.886 125.5 30.6 -72.6 -43.6 41.3 27.3 12.9 61 61 A E H X S+ 0 0 65 -4,-2.3 4,-1.8 -5,-0.1 3,-0.2 0.714 101.3 72.2 -96.3 -28.1 42.7 23.8 13.3 62 62 A L H X S+ 0 0 0 -4,-2.7 4,-3.4 -5,-0.3 5,-0.2 0.875 89.2 60.5 -63.5 -38.8 40.0 21.3 12.5 63 63 A P H >>S+ 0 0 27 0, 0.0 5,-2.1 0, 0.0 4,-0.8 0.923 109.8 42.1 -56.9 -47.0 39.8 21.8 8.8 64 64 A K H 45S+ 0 0 145 -4,-0.3 3,-0.4 -3,-0.2 -2,-0.2 0.909 116.4 48.5 -65.0 -41.7 43.4 20.7 8.3 65 65 A Y H <5S+ 0 0 84 -4,-1.8 -1,-0.2 1,-0.2 -3,-0.2 0.928 117.4 42.0 -63.3 -41.5 43.1 17.8 10.8 66 66 A A H <5S- 0 0 10 -4,-3.4 -1,-0.2 2,-0.2 -2,-0.2 0.555 101.3-130.4 -78.7 -13.0 39.8 16.6 9.0 67 67 A N T <5S+ 0 0 145 -4,-0.8 -3,-0.2 -3,-0.4 -2,-0.1 0.909 78.8 109.4 53.3 46.0 41.1 17.2 5.5 68 68 A W < - 0 0 77 -5,-2.1 -2,-0.2 -6,-0.2 -1,-0.2 -0.903 60.4-154.6-159.2 110.5 37.8 19.0 5.1 69 69 A P + 0 0 104 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 0.609 65.0 54.3 -71.5 -13.2 37.8 22.8 4.7 70 70 A T S S- 0 0 73 -7,-0.1 -2,-0.0 2,-0.1 0, 0.0 -0.658 71.9 -87.7-130.4 166.8 34.3 23.5 6.0 71 71 A F S S+ 0 0 27 -2,-0.2 2,-0.1 2,-0.0 -50,-0.1 -0.934 83.3 55.9-116.4 147.4 31.6 23.3 8.7 72 72 A P + 0 0 3 0, 0.0 2,-0.4 0, 0.0 12,-0.2 0.420 65.0 179.6 -80.2 164.9 29.4 21.6 9.5 73 73 A Q E -A 20 0A 0 -53,-2.3 -53,-2.8 -2,-0.1 2,-0.6 -0.978 13.6-158.7-129.8 123.4 31.3 18.2 10.0 74 74 A L E -AC 19 82A 0 8,-2.5 7,-3.3 -2,-0.4 8,-1.0 -0.888 9.5-171.0 -99.1 123.0 29.6 15.1 11.2 75 75 A W E -AC 18 80A 18 -57,-2.9 -57,-2.5 -2,-0.6 2,-0.5 -0.940 1.5-172.7-111.8 129.7 31.9 12.5 12.7 76 76 A V E > S-AC 17 79A 3 3,-2.7 3,-1.7 -2,-0.5 -59,-0.2 -0.988 70.0 -18.0-128.6 119.7 30.5 9.1 13.5 77 77 A D T 3 S- 0 0 59 -61,-2.9 -1,-0.1 -2,-0.5 -60,-0.1 0.852 129.9 -48.4 54.7 42.6 32.6 6.5 15.4 78 78 A G T 3 S+ 0 0 43 -66,-0.4 2,-0.4 -63,-0.3 -1,-0.3 0.457 117.8 107.6 80.9 0.0 35.8 8.4 14.7 79 79 A E E < S-C 76 0A 131 -3,-1.7 -3,-2.7 -67,-0.1 2,-0.6 -0.917 71.2-122.6-113.3 139.1 35.2 8.8 11.0 80 80 A L E -C 75 0A 36 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.688 23.4-175.4 -77.3 116.9 34.3 12.0 9.1 81 81 A V E - 0 0 28 -7,-3.3 2,-0.3 -2,-0.6 -1,-0.2 0.893 44.5-109.3 -74.4 -48.6 31.1 11.4 7.3 82 82 A G E -C 74 0A 0 -8,-1.0 -8,-2.5 4,-0.1 -1,-0.3 -0.966 34.2 -65.3 150.9-154.8 31.1 14.8 5.6 83 83 A G S > S- 0 0 5 -2,-0.3 4,-2.4 -10,-0.2 5,-0.2 -0.028 70.2 -53.6-111.7-149.3 29.3 18.1 5.7 84 84 A C H > S+ 0 0 9 -12,-0.2 4,-2.8 1,-0.2 5,-0.3 0.935 128.4 48.7 -59.4 -53.9 25.8 19.4 4.9 85 85 A D H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 115.4 44.3 -56.2 -48.0 25.3 18.1 1.4 86 86 A I H > S+ 0 0 64 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.954 113.1 50.2 -61.8 -51.2 26.5 14.6 2.3 87 87 A V H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.923 113.5 45.1 -57.8 -45.7 24.4 14.4 5.5 88 88 A I H X S+ 0 0 53 -4,-2.8 4,-3.1 -5,-0.2 5,-0.2 0.947 111.7 51.3 -71.6 -37.5 21.2 15.5 3.9 89 89 A E H X S+ 0 0 89 -4,-2.2 4,-2.3 -5,-0.3 6,-0.2 0.979 110.8 49.8 -58.0 -50.2 21.6 13.2 0.8 90 90 A M H X>S+ 0 0 21 -4,-2.9 5,-1.6 1,-0.2 6,-1.5 0.866 111.0 49.3 -55.1 -39.6 22.2 10.3 3.2 91 91 A Y H ><5S+ 0 0 76 -4,-2.1 3,-1.1 -5,-0.2 -1,-0.2 0.929 108.4 53.7 -64.8 -45.0 19.1 11.2 5.2 92 92 A Q H 3<5S+ 0 0 151 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.877 112.8 43.1 -56.5 -39.7 17.1 11.4 1.9 93 93 A R H 3<5S- 0 0 138 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.496 113.8-116.2 -82.4 -8.2 18.2 7.8 1.0 94 94 A G T < + 0 0 68 -5,-1.6 4,-2.7 -6,-0.2 5,-0.2 0.860 69.4 55.7 -79.5 -33.8 21.3 5.7 5.0 96 96 A L H > S+ 0 0 0 -6,-1.5 4,-2.8 1,-0.2 5,-0.3 0.945 104.8 55.1 -61.5 -45.6 22.0 8.3 7.7 97 97 A Q H > S+ 0 0 55 -7,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.899 111.1 44.8 -52.5 -42.5 19.2 6.7 9.8 98 98 A Q H X S+ 0 0 99 -4,-1.2 4,-2.6 2,-0.2 5,-0.3 0.934 112.7 49.1 -71.6 -47.9 20.9 3.3 9.6 99 99 A L H X S+ 0 0 45 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.920 116.7 42.8 -54.1 -47.1 24.4 4.5 10.3 100 100 A I H X S+ 0 0 2 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.923 113.2 51.2 -70.9 -43.5 23.2 6.5 13.3 101 101 A K H X S+ 0 0 120 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.948 113.7 44.6 -56.8 -48.5 20.9 3.8 14.6 102 102 A E H X S+ 0 0 132 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.878 112.6 52.4 -67.0 -39.4 23.7 1.1 14.4 103 103 A T H X S+ 0 0 7 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.944 109.5 47.2 -59.5 -49.2 26.2 3.5 16.0 104 104 A A H X S+ 0 0 19 -4,-2.8 4,-0.6 1,-0.2 3,-0.2 0.895 112.7 51.8 -59.8 -37.9 24.0 4.3 19.0 105 105 A A H >< S+ 0 0 68 -4,-2.0 3,-0.6 -5,-0.3 -1,-0.2 0.887 105.6 54.2 -66.8 -38.8 23.3 0.5 19.4 106 106 A K H 3< S+ 0 0 132 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.806 116.6 37.3 -63.3 -30.9 27.1 -0.3 19.4 107 107 A Y H 3< S+ 0 0 112 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.363 87.5 121.3-105.8 3.3 27.8 2.1 22.2 108 108 A K << + 0 0 106 -3,-0.6 3,-0.1 -4,-0.6 -3,-0.0 -0.452 19.8 143.7 -71.9 134.8 24.6 1.6 24.3 109 109 A S + 0 0 90 1,-0.6 -1,-0.1 -2,-0.2 2,-0.1 0.366 58.3 38.2-129.7 -85.3 25.1 0.4 27.8 110 110 A E S S- 0 0 155 1,-0.0 -1,-0.6 0, 0.0 0, 0.0 -0.396 70.1-156.0 -71.4 153.4 22.7 1.7 30.4 111 111 A E - 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