==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-DEC-11 3V2H . COMPND 2 MOLECULE: D-BETA-HYDROXYBUTYRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR Z.ZHANG,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR,J . 463 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 14.5 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 . 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 . 28 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 0 2 6 0 1 1 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 9 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 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 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 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 S 0 0 132 0, 0.0 27,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 127.3 -19.8 25.8 8.6 2 0 A X > + 0 0 11 25,-2.1 3,-1.9 22,-0.2 28,-0.3 0.202 360.0 156.1-108.7 22.9 -16.2 26.7 9.3 3 1 A X T 3 S+ 0 0 111 24,-0.8 2,-0.2 1,-0.3 26,-0.2 -0.088 72.6 12.4 -49.1 140.0 -16.7 30.1 10.8 4 2 A T T 3 S+ 0 0 110 24,-0.8 -1,-0.3 1,-0.2 2,-0.1 -0.034 102.4 117.4 79.8 -33.3 -13.8 31.1 13.0 5 3 A K < - 0 0 42 -3,-1.9 25,-2.1 -2,-0.2 2,-0.4 -0.408 56.4-142.6 -71.7 141.5 -11.7 28.2 11.6 6 4 A T E -a 30 0A 4 77,-0.2 80,-2.5 23,-0.2 79,-1.9 -0.870 11.7-163.1-109.9 136.4 -8.5 29.0 9.7 7 5 A A E -ab 31 86A 0 23,-2.8 25,-2.7 -2,-0.4 2,-0.4 -0.966 6.4-163.8-124.2 123.8 -7.2 27.1 6.7 8 6 A V E -ab 32 87A 0 78,-2.5 80,-2.0 -2,-0.5 2,-0.4 -0.868 14.2-175.9 -97.3 136.7 -3.8 27.1 5.2 9 7 A I E > -ab 33 88A 0 23,-2.2 25,-0.7 -2,-0.4 3,-0.6 -0.891 14.0-148.6-141.5 109.9 -3.6 25.7 1.7 10 8 A T E 3 S+ b 0 89A 0 78,-1.6 80,-0.6 -2,-0.4 25,-0.1 -0.506 82.4 12.1 -77.9 140.9 -0.3 25.2 -0.3 11 9 A G T 3 S+ 0 0 10 -2,-0.2 6,-0.6 79,-0.2 7,-0.3 0.927 83.1 137.0 60.9 49.8 -0.5 25.6 -4.1 12 10 A S < + 0 0 0 22,-2.7 23,-0.2 -3,-0.6 9,-0.1 0.246 35.0 96.5-113.2 11.7 -3.9 27.1 -4.0 13 11 A T S S- 0 0 16 21,-0.6 2,-0.3 23,-0.1 -1,-0.2 0.466 102.6 -2.2 -78.1 -0.4 -3.5 29.9 -6.6 14 12 A S S > S+ 0 0 46 -3,-0.3 4,-1.8 31,-0.0 3,-0.3 -0.960 108.6 16.3-167.0 179.3 -5.0 27.5 -9.1 15 13 A G H > S- 0 0 29 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 0.067 114.7 -9.1 48.8-143.5 -6.3 24.0 -9.7 16 14 A I H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.896 133.7 52.8 -57.4 -49.9 -7.3 21.6 -6.9 17 15 A G H > S+ 0 0 0 -6,-0.6 4,-2.6 -3,-0.3 -5,-0.3 0.880 110.6 49.1 -54.9 -41.5 -6.0 23.7 -4.0 18 16 A L H X S+ 0 0 22 -4,-1.8 4,-2.7 -7,-0.3 -1,-0.2 0.925 108.1 52.6 -65.1 -46.9 -7.9 26.8 -5.3 19 17 A A H X S+ 0 0 11 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.875 113.8 45.3 -53.4 -38.1 -11.2 24.8 -5.6 20 18 A I H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.872 109.0 53.8 -78.4 -38.5 -10.7 23.7 -2.0 21 19 A A H X S+ 0 0 0 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.892 111.1 48.5 -58.3 -39.7 -9.8 27.2 -0.8 22 20 A R H X S+ 0 0 79 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.933 109.6 50.6 -66.6 -46.5 -13.0 28.4 -2.4 23 21 A T H X S+ 0 0 32 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.940 112.9 45.3 -58.2 -50.3 -15.1 25.6 -0.8 24 22 A L H <>S+ 0 0 5 -4,-2.4 5,-1.9 1,-0.2 3,-0.4 0.821 110.5 56.6 -62.8 -31.5 -13.8 26.3 2.7 25 23 A A H ><5S+ 0 0 1 -4,-1.5 3,-1.8 -5,-0.2 29,-0.4 0.923 101.3 54.3 -67.0 -44.6 -14.3 30.1 2.1 26 24 A K H 3<5S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.694 104.9 58.7 -61.1 -16.2 -18.0 29.6 1.3 27 25 A A T 3<5S- 0 0 21 -4,-0.6 -25,-2.1 -3,-0.4 -24,-0.8 0.527 124.7 -99.4 -94.6 -8.2 -18.2 27.9 4.7 28 26 A G T < 5S+ 0 0 9 -3,-1.8 -24,-0.8 -4,-0.3 -3,-0.2 0.407 72.5 142.6 111.0 1.0 -16.9 30.9 6.6 29 27 A A < - 0 0 0 -5,-1.9 26,-0.3 -26,-0.2 -1,-0.3 -0.420 53.2-119.2 -80.4 145.6 -13.2 30.0 7.1 30 28 A N E -a 6 0A 24 -25,-2.1 -23,-2.8 -28,-0.3 2,-0.4 -0.622 37.6-150.5 -71.1 141.2 -10.3 32.3 7.1 31 29 A I E -ac 7 57A 0 25,-1.8 27,-2.0 -2,-0.3 2,-0.6 -0.951 20.0-162.1-124.0 139.1 -8.0 31.3 4.3 32 30 A V E -ac 8 58A 0 -25,-2.7 -23,-2.2 -2,-0.4 27,-0.2 -0.929 21.1-158.5-114.5 104.5 -4.2 31.5 3.7 33 31 A L E -ac 9 59A 0 25,-2.7 27,-3.2 -2,-0.6 2,-0.3 -0.432 11.8-178.5 -77.7 154.8 -3.4 31.0 0.1 34 32 A N E + c 0 60A 2 -25,-0.7 -22,-2.7 25,-0.2 -21,-0.6 -0.989 21.9 78.3-152.3 145.4 0.0 30.0 -1.2 35 33 A G - 0 0 18 25,-0.7 7,-0.0 -2,-0.3 28,-0.0 -0.739 64.0 -45.8 144.7 171.7 1.7 29.4 -4.5 36 34 A F + 0 0 151 -2,-0.2 2,-0.1 -22,-0.0 -23,-0.1 -0.069 63.0 110.4 -63.6 166.3 3.3 30.4 -7.8 37 35 A G - 0 0 41 4,-0.0 -2,-0.1 5,-0.0 -24,-0.0 -0.321 65.0 -79.7 136.0 143.6 2.0 33.2 -10.0 38 36 A A > - 0 0 48 -2,-0.1 4,-2.4 1,-0.1 3,-0.2 -0.230 51.1-106.0 -58.2 156.4 2.7 36.6 -11.4 39 37 A P H > S+ 0 0 92 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.900 119.8 56.3 -54.4 -46.1 1.7 39.5 -9.0 40 38 A D H > S+ 0 0 100 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.902 110.8 44.0 -52.1 -47.4 -1.3 40.4 -11.1 41 39 A E H > S+ 0 0 106 -3,-0.2 4,-2.7 1,-0.2 5,-0.3 0.933 106.5 59.7 -66.0 -48.1 -2.7 36.8 -10.8 42 40 A I H X S+ 0 0 28 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.869 110.7 41.0 -48.6 -45.7 -2.0 36.5 -7.1 43 41 A R H X S+ 0 0 146 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.832 111.3 55.7 -76.9 -32.8 -4.2 39.4 -6.2 44 42 A T H X S+ 0 0 75 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.966 113.5 41.5 -59.8 -51.5 -6.9 38.5 -8.6 45 43 A V H X S+ 0 0 15 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.892 111.2 56.1 -62.8 -42.3 -7.2 35.1 -7.0 46 44 A T H X S+ 0 0 21 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.864 111.5 43.6 -62.0 -37.3 -6.9 36.4 -3.5 47 45 A D H X S+ 0 0 113 -4,-2.0 4,-3.5 2,-0.2 5,-0.2 0.968 108.2 58.6 -67.7 -56.4 -9.9 38.8 -4.1 48 46 A E H < S+ 0 0 78 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.877 114.4 37.3 -34.7 -55.6 -11.9 36.0 -5.8 49 47 A V H >X S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 4,-1.4 0.929 113.4 55.8 -70.8 -46.1 -11.7 33.9 -2.7 50 48 A A H 3< S+ 0 0 34 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.897 98.0 64.8 -50.0 -43.9 -12.0 36.8 -0.2 51 49 A G T 3< S+ 0 0 71 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.661 105.3 45.2 -56.8 -17.6 -15.3 37.8 -2.0 52 50 A L T <4 S+ 0 0 60 -3,-2.1 2,-0.3 -4,-0.3 -1,-0.2 0.837 102.9 69.6 -93.6 -41.0 -16.7 34.5 -0.7 53 51 A S < - 0 0 13 -4,-1.4 -27,-0.1 -3,-0.1 4,-0.1 -0.626 59.3-155.7 -88.7 136.5 -15.6 34.4 2.9 54 52 A S S S+ 0 0 110 -29,-0.4 -1,-0.1 -2,-0.3 2,-0.1 0.499 83.5 72.3 -79.5 -6.3 -16.8 36.7 5.6 55 53 A G S S- 0 0 24 -26,-0.3 2,-0.3 -30,-0.2 -26,-0.1 -0.310 103.2 -65.6 -96.4-173.6 -13.5 36.0 7.3 56 54 A T - 0 0 51 -2,-0.1 -25,-1.8 -24,-0.0 2,-0.4 -0.583 45.4-171.9 -80.5 130.3 -9.9 37.1 6.4 57 55 A V E +c 31 0A 20 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.986 18.1 147.6-123.0 127.2 -8.4 35.9 3.2 58 56 A L E -c 32 0A 39 -27,-2.0 -25,-2.7 -2,-0.4 2,-0.4 -0.955 34.7-121.3-151.4 167.7 -4.7 36.6 2.3 59 57 A H E -c 33 0A 38 -2,-0.3 -25,-0.2 -27,-0.2 -27,-0.0 -0.901 10.5-158.7-121.1 142.9 -1.8 35.0 0.5 60 58 A H E -c 34 0A 32 -27,-3.2 -25,-0.7 -2,-0.4 -2,-0.0 -0.977 11.1-149.9-120.7 135.9 1.7 34.0 1.5 61 59 A P + 0 0 95 0, 0.0 -27,-0.1 0, 0.0 9,-0.1 0.099 37.6 154.9 -90.4 19.3 4.6 33.6 -1.0 62 60 A A - 0 0 5 7,-0.2 2,-0.6 1,-0.1 -27,-0.1 -0.234 42.4-131.3 -56.3 130.7 6.5 30.8 0.8 63 61 A D > - 0 0 61 3,-0.2 3,-2.2 1,-0.1 7,-0.4 -0.766 7.0-143.3 -85.6 118.8 8.6 28.8 -1.6 64 62 A X T 3 S+ 0 0 15 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.533 100.3 56.9 -63.9 -4.5 7.9 25.1 -0.9 65 63 A T T 3 S+ 0 0 53 1,-0.2 -1,-0.3 51,-0.0 -3,-0.0 0.679 96.8 67.3 -94.1 -21.4 11.6 24.4 -1.6 66 64 A K X> - 0 0 100 -3,-2.2 3,-1.7 1,-0.2 4,-1.6 -0.784 65.1-169.6-105.2 91.4 12.8 26.8 1.1 67 65 A P H 3> S+ 0 0 54 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.756 85.1 60.5 -54.2 -32.2 11.8 25.3 4.4 68 66 A S H 3> S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.859 105.2 49.0 -63.7 -35.3 12.7 28.5 6.3 69 67 A E H <> S+ 0 0 58 -3,-1.7 4,-2.1 -6,-0.2 -1,-0.2 0.884 110.2 50.1 -70.2 -39.9 10.1 30.3 4.2 70 68 A I H X S+ 0 0 1 -4,-1.6 4,-2.1 -7,-0.4 -2,-0.2 0.898 108.5 54.9 -58.4 -41.0 7.6 27.6 5.0 71 69 A A H X S+ 0 0 43 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.876 107.1 49.4 -61.7 -39.7 8.6 28.2 8.6 72 70 A D H X S+ 0 0 102 -4,-1.7 4,-3.4 2,-0.2 5,-0.2 0.918 110.0 49.5 -68.1 -42.3 7.8 31.9 8.4 73 71 A X H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.874 112.5 48.6 -64.7 -36.4 4.4 31.3 6.8 74 72 A X H X S+ 0 0 12 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.889 112.4 48.4 -69.4 -38.5 3.7 28.9 9.5 75 73 A A H X S+ 0 0 59 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.932 108.7 53.2 -65.9 -45.9 4.9 31.4 12.2 76 74 A X H X S+ 0 0 51 -4,-3.4 4,-2.9 1,-0.2 5,-0.3 0.872 108.0 52.1 -57.4 -38.3 2.8 34.2 10.7 77 75 A V H X>S+ 0 0 1 -4,-1.6 4,-2.9 -5,-0.2 6,-1.2 0.926 107.0 51.4 -63.1 -47.1 -0.3 32.0 10.9 78 76 A A H <5S+ 0 0 48 -4,-1.8 4,-0.4 4,-0.3 -1,-0.2 0.854 116.3 42.0 -58.5 -35.7 0.3 31.2 14.6 79 77 A D H <5S+ 0 0 150 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.920 120.6 39.4 -78.9 -46.6 0.6 34.9 15.3 80 78 A R H <5S+ 0 0 130 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.888 139.3 8.6 -72.3 -43.3 -2.3 36.1 13.1 81 79 A F T <5S- 0 0 36 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.417 100.8-108.2-121.0 -2.0 -4.9 33.4 13.7 82 80 A G S - 0 0 93 -2,-0.2 3,-2.3 1,-0.1 4,-0.2 -0.297 48.0-111.0 -60.2 143.6 13.3 7.6 -17.6 99 97 A I G > S+ 0 0 114 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.719 112.3 58.1 -56.2 -34.4 15.3 7.3 -14.4 100 98 A E G 3 S+ 0 0 141 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.718 116.2 37.5 -71.1 -18.5 18.8 7.0 -16.0 101 99 A D G < S+ 0 0 89 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.207 89.6 122.5-109.7 10.8 18.3 10.3 -17.7 102 100 A F < - 0 0 22 -3,-1.2 2,-0.2 -4,-0.2 -5,-0.0 -0.661 67.3-122.0 -80.6 117.1 16.4 11.8 -14.7 103 101 A P >> - 0 0 39 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.383 4.2-142.5 -62.0 125.2 18.3 15.0 -13.6 104 102 A V H 3> S+ 0 0 94 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.929 105.8 62.3 -48.5 -47.1 19.4 14.9 -10.0 105 103 A E H 3> S+ 0 0 146 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.879 107.1 42.5 -41.8 -48.3 18.5 18.5 -10.0 106 104 A Q H <> S+ 0 0 39 -3,-0.8 4,-2.6 2,-0.2 5,-0.3 0.871 109.3 55.1 -75.1 -39.7 14.9 17.5 -10.8 107 105 A W H X S+ 0 0 102 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.938 109.6 49.4 -55.5 -47.4 14.7 14.6 -8.3 108 106 A D H X S+ 0 0 94 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.846 112.0 48.5 -61.9 -35.7 15.7 16.9 -5.5 109 107 A R H X S+ 0 0 110 -4,-1.2 4,-2.1 -5,-0.3 5,-0.3 0.922 111.8 46.4 -73.4 -46.6 13.1 19.5 -6.5 110 108 A I H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.5 0.949 112.8 50.2 -61.2 -49.8 10.1 17.1 -6.8 111 109 A I H X>S+ 0 0 32 -4,-2.3 5,-2.5 -5,-0.3 4,-1.6 0.860 110.2 51.8 -54.9 -38.5 11.0 15.5 -3.4 112 110 A A H <>S+ 0 0 22 -4,-1.4 5,-1.3 -5,-0.2 -1,-0.2 0.927 120.3 31.2 -68.1 -43.4 11.2 18.9 -1.8 113 111 A V H <5S+ 0 0 11 -4,-2.1 -2,-0.2 3,-0.2 -3,-0.2 0.879 126.1 40.7 -83.2 -38.9 7.8 20.2 -3.0 114 112 A N H <5S+ 0 0 4 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.750 134.7 6.4 -87.3 -26.4 5.9 16.9 -3.1 115 113 A L T >X5S+ 0 0 43 -4,-1.6 3,-1.3 -5,-0.5 4,-1.0 0.709 125.6 46.2-118.5 -64.7 7.2 15.2 0.1 116 114 A S H 3> S+ 0 0 6 -3,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.837 106.2 54.4 -71.9 -33.1 4.4 18.5 4.0 119 117 A F H X S+ 0 0 101 -4,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.988 113.0 40.9 -58.4 -59.3 6.9 17.6 6.7 120 118 A H H X S+ 0 0 39 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.823 117.2 50.7 -58.5 -34.1 7.8 21.3 7.3 121 119 A T H X S+ 0 0 0 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.2 0.921 113.2 43.4 -72.4 -43.2 4.2 22.3 6.9 122 120 A I H >X S+ 0 0 8 -4,-2.8 4,-2.4 1,-0.2 3,-0.8 0.872 105.3 62.1 -71.4 -39.6 2.9 19.8 9.4 123 121 A R H 3< S+ 0 0 146 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.863 108.1 43.8 -56.9 -37.6 5.6 20.3 12.0 124 122 A G H 3< S+ 0 0 30 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.631 116.0 48.1 -83.1 -14.7 4.5 23.9 12.5 125 123 A A H S+ 0 0 56 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.950 110.4 44.0 -57.1 -53.0 1.5 22.2 18.2 128 126 A P H > S+ 0 0 23 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.933 115.0 49.2 -60.3 -43.3 -1.4 24.7 17.8 129 127 A X H X>S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 5,-1.2 0.917 109.7 52.2 -61.1 -44.8 -3.8 22.0 16.8 130 128 A K H ><5S+ 0 0 96 -4,-2.9 3,-0.6 -5,-0.2 -1,-0.2 0.936 108.4 50.6 -54.3 -48.0 -2.8 20.0 19.8 131 129 A K H 3<5S+ 0 0 177 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.889 114.5 43.5 -58.5 -40.7 -3.3 22.9 22.2 132 130 A K H 3<5S- 0 0 92 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.595 106.1-130.8 -82.7 -12.6 -6.8 23.5 20.8 133 131 A G T <<5S+ 0 0 40 -4,-1.2 2,-0.3 -3,-0.6 -3,-0.2 0.662 76.7 82.0 71.9 17.7 -7.6 19.8 20.8 134 132 A W < + 0 0 46 -5,-1.2 44,-0.3 -6,-0.2 2,-0.3 -0.990 48.2 149.2-151.2 145.3 -8.9 19.8 17.2 135 133 A G E - 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