==== 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 10-MAY-97 1BDB . COMPND 2 MOLECULE: CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR M.HUELSMEYER,H.-J.HECHT,K.NIEFIND,B.HOFER,K.N.TIMMIS,D.SCHOM . 267 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 0 1 0 0 0 1 2 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 3 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 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 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 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 0 140 0, 0.0 3,-0.8 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 88.6 5.4 63.5 -1.1 2 2 A K T 3 + 0 0 148 1,-0.2 27,-0.1 28,-0.0 26,-0.1 0.587 360.0 43.6 -79.4 -17.2 8.4 64.4 -3.1 3 3 A L T > S+ 0 0 6 25,-2.3 3,-2.4 22,-0.1 -1,-0.2 -0.022 72.1 162.1-122.9 33.7 9.1 60.9 -4.5 4 4 A K T < S+ 0 0 169 -3,-0.8 26,-0.2 1,-0.3 25,-0.1 -0.272 74.8 8.1 -57.2 128.1 5.6 59.6 -5.5 5 5 A G T 3 S+ 0 0 43 24,-1.6 -1,-0.3 1,-0.3 2,-0.2 0.445 97.4 131.4 83.4 -0.9 5.9 56.7 -8.0 6 6 A E < - 0 0 34 -3,-2.4 25,-2.7 23,-0.1 2,-0.5 -0.562 48.9-142.3 -84.2 150.8 9.7 56.4 -7.6 7 7 A A E -a 31 0A 1 -2,-0.2 74,-3.0 23,-0.2 75,-1.7 -0.962 18.6-172.8-116.4 132.9 11.3 53.1 -6.9 8 8 A V E -ab 32 82A 0 23,-2.8 25,-3.0 -2,-0.5 2,-0.5 -0.949 13.7-157.3-127.4 135.3 14.2 52.8 -4.6 9 9 A L E -ab 33 83A 1 73,-2.5 75,-3.2 -2,-0.4 2,-0.4 -0.970 14.7-173.5-114.7 124.8 16.5 49.9 -3.7 10 10 A I E > -ab 34 84A 0 23,-2.8 25,-1.9 -2,-0.5 3,-0.7 -0.976 14.0-147.5-120.1 126.3 18.4 50.1 -0.3 11 11 A T E 3 S+a 35 0A 1 73,-2.0 75,-0.2 -2,-0.4 25,-0.2 -0.743 88.3 15.6 -92.3 142.6 21.0 47.6 0.8 12 12 A G T > S+ 0 0 12 23,-2.9 3,-0.7 -2,-0.4 6,-0.3 0.829 83.3 144.7 68.2 34.4 21.1 47.0 4.6 13 13 A G T < + 0 0 0 -3,-0.7 9,-0.2 22,-0.6 23,-0.1 0.446 45.3 81.9 -85.4 1.1 17.6 48.6 4.9 14 14 A A T 3 S+ 0 0 3 21,-0.2 2,-0.3 8,-0.1 -1,-0.2 0.592 98.0 21.5 -83.7 -8.6 16.3 46.3 7.7 15 15 A S S X> S- 0 0 29 -3,-0.7 4,-1.3 27,-0.0 3,-0.8 -0.955 103.8 -7.3-152.3 163.1 18.0 48.2 10.6 16 16 A G H 3> S- 0 0 23 -2,-0.3 4,-2.1 1,-0.3 3,-0.3 -0.026 123.8 -5.2 58.2-134.1 19.5 51.4 11.9 17 17 A L H 3> S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.908 135.3 57.8 -59.2 -42.0 20.0 54.2 9.3 18 18 A G H <> S+ 0 0 1 -3,-0.8 4,-2.4 -6,-0.3 -2,-0.2 0.910 107.3 47.8 -53.8 -44.1 18.9 51.9 6.4 19 19 A R H X S+ 0 0 39 -4,-1.3 4,-2.6 -3,-0.3 -1,-0.2 0.915 109.6 51.8 -66.7 -40.3 15.5 51.3 8.2 20 20 A A H X S+ 0 0 8 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.890 109.4 52.0 -62.1 -37.6 15.0 55.0 8.8 21 21 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.921 107.5 50.6 -64.7 -47.6 15.7 55.5 5.1 22 22 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 -9,-0.2 5,-0.3 0.954 112.5 47.8 -54.2 -49.3 13.0 52.9 4.2 23 23 A D H X S+ 0 0 58 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.918 114.4 45.9 -58.0 -46.1 10.5 54.7 6.5 24 24 A R H X S+ 0 0 80 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.929 112.4 49.0 -64.9 -46.7 11.3 58.1 5.1 25 25 A F H <>S+ 0 0 0 -4,-3.0 5,-2.4 2,-0.2 4,-0.2 0.899 111.2 50.0 -64.4 -36.1 11.2 57.1 1.4 26 26 A V H ><5S+ 0 0 18 -4,-2.4 3,-2.0 -5,-0.3 -1,-0.2 0.940 108.5 53.2 -65.4 -41.1 7.8 55.3 1.9 27 27 A A H 3<5S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 104.8 56.3 -63.8 -24.2 6.5 58.5 3.6 28 28 A E T 3<5S- 0 0 27 -4,-1.4 -25,-2.3 -3,-0.1 -1,-0.3 0.440 126.9-100.4 -89.1 0.2 7.7 60.4 0.5 29 29 A G T < 5S+ 0 0 19 -3,-2.0 -24,-1.6 1,-0.3 -3,-0.2 0.481 77.8 134.3 101.6 0.9 5.6 58.2 -1.8 30 30 A A < - 0 0 2 -5,-2.4 2,-0.4 -26,-0.2 -1,-0.3 -0.540 54.1-127.6 -81.3 162.1 8.3 55.8 -3.1 31 31 A K E -a 7 0A 67 -25,-2.7 -23,-2.8 -2,-0.2 2,-0.5 -0.802 31.1-152.9-100.6 136.5 8.2 52.0 -3.3 32 32 A V E -ac 8 53A 0 20,-2.7 22,-2.2 -2,-0.4 2,-0.4 -0.933 16.0-165.1-126.2 125.2 11.2 50.5 -1.7 33 33 A A E -ac 9 54A 0 -25,-3.0 -23,-2.8 -2,-0.5 2,-0.4 -0.798 17.4-160.3 -99.2 136.6 13.1 47.2 -2.3 34 34 A V E -ac 10 55A 0 20,-3.2 22,-3.0 -2,-0.4 2,-0.6 -0.977 12.8-161.8-124.2 131.1 15.5 46.1 0.5 35 35 A L E +ac 11 56A 0 -25,-1.9 -23,-2.9 -2,-0.4 -22,-0.6 -0.934 32.0 147.5-107.4 117.8 18.4 43.7 0.3 36 36 A D E - c 0 57A 17 20,-2.0 22,-1.7 -2,-0.6 23,-0.1 -0.984 49.8-135.8-148.5 152.8 19.4 42.5 3.8 37 37 A K S S+ 0 0 147 -2,-0.3 2,-1.1 20,-0.2 22,-0.1 0.651 83.0 89.5 -83.3 -17.6 20.8 39.3 5.3 38 38 A S > - 0 0 20 1,-0.2 4,-2.0 20,-0.1 5,-0.2 -0.697 51.8-175.4 -85.8 104.9 18.4 39.4 8.3 39 39 A A H > S+ 0 0 59 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.918 84.2 53.3 -58.3 -45.1 15.2 37.5 7.4 40 40 A E H > S+ 0 0 143 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.909 109.8 45.0 -59.2 -47.2 13.6 38.4 10.8 41 41 A R H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.873 110.9 54.3 -68.9 -32.0 14.1 42.1 10.5 42 42 A L H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.895 104.6 55.5 -67.0 -34.5 12.9 42.1 6.9 43 43 A A H X S+ 0 0 50 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.909 106.1 50.8 -61.4 -43.2 9.8 40.4 8.1 44 44 A E H X S+ 0 0 94 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.913 108.9 51.4 -58.6 -47.1 9.2 43.3 10.5 45 45 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.934 110.0 48.9 -56.7 -47.4 9.6 45.8 7.7 46 46 A E H X S+ 0 0 76 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.874 109.8 53.4 -62.7 -34.5 7.1 44.0 5.5 47 47 A T H < S+ 0 0 118 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.935 113.5 42.5 -64.9 -47.8 4.7 43.9 8.5 48 48 A D H < S+ 0 0 96 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.876 128.8 24.2 -70.0 -40.8 5.0 47.6 8.9 49 49 A H H >< S- 0 0 35 -4,-2.6 3,-1.8 1,-0.2 -3,-0.2 0.458 81.8-165.9-106.8 -7.6 4.8 48.8 5.3 50 50 A G G >< S- 0 0 39 -4,-2.1 3,-1.6 -5,-0.3 -1,-0.2 -0.196 72.5 -6.5 60.3-138.7 3.0 46.0 3.4 51 51 A D G 3 S+ 0 0 111 1,-0.3 -1,-0.3 3,-0.1 -5,-0.1 0.393 117.4 81.8 -83.0 13.7 3.3 46.2 -0.3 52 52 A N G < S+ 0 0 59 -3,-1.8 -20,-2.7 -6,-0.1 2,-0.3 0.528 99.0 46.7 -76.5 -12.3 5.1 49.6 -0.3 53 53 A V E < -c 32 0A 1 -3,-1.6 2,-0.4 -22,-0.2 -20,-0.2 -0.934 66.8-157.5-132.6 156.7 8.2 47.5 0.5 54 54 A L E -c 33 0A 13 -22,-2.2 -20,-3.2 -2,-0.3 2,-0.5 -0.979 13.4-150.8-132.9 124.5 9.8 44.4 -0.9 55 55 A G E -c 34 0A 8 -2,-0.4 2,-0.5 -22,-0.2 -20,-0.2 -0.781 11.3-175.2-102.7 129.2 12.3 42.3 1.1 56 56 A I E -c 35 0A 0 -22,-3.0 -20,-2.0 -2,-0.5 2,-0.6 -0.985 17.3-146.4-120.9 115.3 15.0 40.3 -0.5 57 57 A V E +c 36 0A 80 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.742 49.3 115.0 -80.3 120.0 17.1 38.1 1.9 58 58 A G - 0 0 10 -22,-1.7 2,-0.4 -2,-0.6 -20,-0.1 -0.976 63.5 -95.8-174.0 169.9 20.7 38.0 0.6 59 59 A D > - 0 0 44 -2,-0.3 3,-2.1 1,-0.1 7,-0.3 -0.901 20.1-141.6-101.9 135.6 24.3 39.0 1.2 60 60 A V T 3 S+ 0 0 12 -2,-0.4 61,-0.1 1,-0.3 -1,-0.1 0.771 102.1 64.7 -67.6 -21.4 25.7 42.2 -0.3 61 61 A R T 3 S+ 0 0 85 1,-0.1 2,-0.7 60,-0.1 -1,-0.3 0.612 88.4 82.6 -72.8 -13.0 29.0 40.4 -0.9 62 62 A S <> - 0 0 39 -3,-2.1 4,-2.2 1,-0.2 5,-0.2 -0.830 62.3-163.3 -95.0 113.2 27.2 38.1 -3.3 63 63 A L H > S+ 0 0 56 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.902 94.4 56.0 -61.8 -35.5 26.8 39.5 -6.9 64 64 A E H > S+ 0 0 130 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 107.0 46.9 -65.2 -38.1 24.1 36.9 -7.4 65 65 A D H > S+ 0 0 44 -6,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.885 113.0 51.2 -66.2 -40.4 22.0 38.0 -4.4 66 66 A Q H X S+ 0 0 1 -4,-2.2 4,-2.2 -7,-0.3 -2,-0.2 0.922 109.8 48.3 -61.0 -44.0 22.5 41.6 -5.6 67 67 A K H X S+ 0 0 99 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.846 109.6 53.7 -67.0 -31.8 21.2 40.8 -9.1 68 68 A Q H X S+ 0 0 82 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.908 108.7 49.2 -68.2 -42.0 18.3 38.9 -7.6 69 69 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.927 112.8 47.5 -60.4 -47.2 17.3 42.1 -5.6 70 70 A A H X S+ 0 0 7 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.925 113.5 46.3 -62.1 -48.3 17.6 44.3 -8.7 71 71 A S H X S+ 0 0 71 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.903 113.2 49.5 -67.2 -34.0 15.5 41.9 -10.9 72 72 A R H X S+ 0 0 94 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.851 110.6 50.8 -70.3 -34.6 12.8 41.5 -8.2 73 73 A C H X>S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 6,-0.6 0.907 112.8 45.8 -66.6 -43.6 12.7 45.3 -7.8 74 74 A V H X5S+ 0 0 56 -4,-2.3 4,-1.3 4,-0.2 -2,-0.2 0.892 113.3 50.1 -65.8 -38.9 12.3 45.8 -11.5 75 75 A A H <5S+ 0 0 87 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.948 120.0 34.6 -64.3 -48.7 9.7 43.0 -11.7 76 76 A R H <5S+ 0 0 112 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.886 133.4 23.7 -73.4 -46.5 7.6 44.4 -8.8 77 77 A F H <5S- 0 0 32 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.484 99.1-122.5-108.1 0.3 7.9 48.1 -9.2 78 78 A G S < - 0 0 0 102,-0.2 3,-1.5 -2,-0.1 102,-0.1 0.157 43.1-116.9-119.6 12.1 35.9 47.7 13.1 92 92 A Y T 3 - 0 0 133 1,-0.3 3,-0.2 100,-0.1 59,-0.1 0.698 58.7 -76.0 56.6 32.3 35.2 49.0 16.6 93 93 A S T 3 S+ 0 0 47 1,-0.2 2,-0.7 57,-0.1 -1,-0.3 0.863 72.8 176.7 51.9 39.3 38.0 51.5 16.2 94 94 A T < - 0 0 32 -3,-1.5 60,-0.4 58,-0.1 -1,-0.2 -0.653 25.1-135.0 -75.2 116.0 40.6 48.8 16.7 95 95 A A >> - 0 0 42 -2,-0.7 3,-1.0 57,-0.2 4,-0.7 -0.212 21.5-104.1 -65.5 162.0 43.9 50.7 16.2 96 96 A L G >4 S+ 0 0 122 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.883 120.7 54.5 -52.2 -42.1 46.6 49.2 14.1 97 97 A V G 34 S+ 0 0 128 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.782 109.9 47.8 -69.3 -24.2 48.7 48.2 17.2 98 98 A D G <4 S+ 0 0 110 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.456 82.8 106.2 -95.2 -8.7 45.7 46.3 18.6 99 99 A L S << S- 0 0 13 -3,-1.1 2,-0.2 -4,-0.7 5,-0.1 -0.670 76.5-124.1 -71.8 119.1 44.9 44.4 15.5 100 100 A P >> - 0 0 46 0, 0.0 3,-1.2 0, 0.0 4,-0.9 -0.448 7.1-136.1 -64.3 134.4 46.0 40.8 16.1 101 101 A E T 34 S+ 0 0 172 1,-0.3 4,-0.5 -2,-0.2 3,-0.4 0.838 100.3 60.0 -56.6 -38.0 48.4 39.5 13.5 102 102 A E T 34 S+ 0 0 170 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.694 116.6 29.3 -72.5 -18.3 46.7 36.1 13.3 103 103 A S T <> S+ 0 0 22 -3,-1.2 4,-3.1 2,-0.1 5,-0.2 0.323 88.3 100.6-122.5 10.5 43.3 37.6 12.2 104 104 A L H X S+ 0 0 55 -4,-0.9 4,-2.5 -3,-0.4 5,-0.2 0.931 85.4 48.8 -61.7 -42.1 44.4 40.7 10.3 105 105 A D H > S+ 0 0 134 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.922 114.6 44.8 -62.5 -47.5 44.0 39.0 6.9 106 106 A A H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.938 114.0 48.7 -65.5 -42.1 40.5 37.7 7.7 107 107 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 5,-0.3 0.886 107.4 56.6 -64.5 -38.3 39.4 41.0 9.3 108 108 A F H X S+ 0 0 94 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.951 110.9 43.5 -57.0 -53.1 40.7 42.9 6.2 109 109 A D H X S+ 0 0 76 -4,-2.0 4,-3.1 2,-0.2 5,-0.4 0.915 112.6 51.9 -62.0 -42.4 38.5 40.8 3.9 110 110 A E H X S+ 0 0 26 -4,-2.4 4,-2.0 1,-0.2 5,-0.3 0.968 115.7 40.6 -59.5 -50.9 35.4 41.0 6.2 111 111 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.924 122.1 40.0 -63.0 -47.3 35.5 44.7 6.4 112 112 A F H X>S+ 0 0 37 -4,-2.8 5,-2.4 -5,-0.3 4,-1.8 0.831 112.4 54.5 -75.2 -34.6 36.4 45.4 2.7 113 113 A H H <>S+ 0 0 60 -4,-3.1 5,-1.5 -5,-0.3 -2,-0.2 0.945 118.8 34.6 -63.8 -46.0 34.1 42.7 1.2 114 114 A I H <5S+ 0 0 18 -4,-2.0 4,-0.3 -5,-0.4 -2,-0.2 0.984 126.0 35.7 -71.1 -60.1 31.1 44.1 3.0 115 115 A N H <5S+ 0 0 0 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.740 134.0 16.5 -69.7 -28.7 31.7 47.9 3.0 116 116 A V T >X5S+ 0 0 20 -4,-1.8 4,-2.1 -5,-0.3 3,-1.1 0.774 127.2 42.8-113.2 -56.1 33.5 48.3 -0.4 117 117 A K H 3> S+ 0 0 2 -3,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.881 111.4 48.3 -72.5 -40.7 28.9 48.8 -2.8 120 120 A I H X S+ 0 0 77 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.924 110.5 51.6 -65.3 -44.1 30.5 47.9 -6.1 121 121 A H H X S+ 0 0 33 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.878 105.7 55.1 -61.4 -34.6 28.2 44.9 -6.6 122 122 A A H X S+ 0 0 0 -4,-1.1 4,-2.2 -5,-0.3 -1,-0.2 0.968 112.4 42.8 -64.5 -44.9 25.1 46.9 -5.9 123 123 A V H X S+ 0 0 8 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.911 113.6 51.5 -68.4 -41.7 25.9 49.3 -8.7 124 124 A K H >< S+ 0 0 140 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.937 113.4 45.2 -58.9 -46.4 27.1 46.6 -11.1 125 125 A A H 3< S+ 0 0 16 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.845 119.5 39.7 -66.2 -37.4 23.8 44.7 -10.5 126 126 A C H 3X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.2 3,-0.3 0.462 86.5 102.3 -94.5 -0.9 21.5 47.7 -10.9 127 127 A L H S+ 0 0 97 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.904 115.8 45.4 -56.6 -41.7 21.1 48.5 -16.6 129 129 A A H > S+ 0 0 21 -3,-0.3 4,-2.1 -4,-0.2 -49,-0.3 0.888 112.2 50.3 -69.4 -43.9 18.1 49.6 -14.7 130 130 A L H X>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-0.8 0.874 110.5 49.9 -62.5 -41.7 19.7 52.9 -13.5 131 131 A V H ><5S+ 0 0 50 -4,-2.6 3,-1.0 -5,-0.3 -2,-0.2 0.965 110.1 51.5 -62.6 -41.1 20.8 53.8 -17.0 132 132 A A H 3<5S+ 0 0 75 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.900 117.5 37.3 -64.0 -36.8 17.2 53.1 -18.3 133 133 A S H 3<5S- 0 0 23 -4,-2.1 -1,-0.3 -53,-0.3 -2,-0.2 0.460 104.3-124.1 -91.9 -0.9 15.6 55.4 -15.7 134 134 A R T <<5 + 0 0 137 -3,-1.0 -3,-0.2 -4,-0.8 43,-0.1 0.975 60.7 163.2 53.8 52.5 18.4 58.1 -15.7 135 135 A G < - 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