REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-JAN-09 3G1J COMPND INTEGRON CASSETTE PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; SOURCE 3 ORGANISM_TAXID: 666; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P15TV-L AUTHOR C.N.DESHPANDE,V.SURESHAN,S.J.HARROP,Y.BOUCHER,X.XU,H.CUI, AUTHOR 2 A.EDWARDS,A.SAVCHENKO,A.JOACHIMIAK,K.TAN,H.W.STOKES, AUTHOR 3 P.M.G.CURMI,B.C.MABBUTT,MIDWEST CENTER FOR STRUCTURAL AUTHOR 4 GENOMICS (MCSG) HET MSE A 39 8 HET MSE A 67 8 HET MSE A 76 8 HET MSE B 39 8 HET MSE B 67 8 HET MSE B 76 8 >GLY.A 0 -8.68 57.42 21.97 -9.39 57.12 21.67 -9.04 57.27 21.82 1 0 1000.00 -999 ? >VAL.A 1 -8.43 57.32 18.19 -7.02 56.53 16.71 -7.72 56.92 17.45 3 0 1000.00 -999 ? >ASP~A 2 -12.44 56.25 15.68 -14.03 54.98 15.13 -13.23 55.61 15.41 2 0 1000.00 -999 ? >ARG~A 3 -7.66 51.06 17.98 -6.94 49.47 20.50 -7.30 50.26 19.24 2 0 1000.00 -999 ? >ASP~A 4 -13.77 51.70 12.92 -14.59 50.09 14.05 -14.18 50.89 13.48 2 0 1000.00 -999 ? >TYR~A 5 -11.94 56.52 10.97 -14.45 57.68 10.69 -13.19 57.10 10.83 3 0 1000.00 -999 ? >LEU~A 6 -6.47 52.48 12.28 -5.75 53.96 13.71 -6.11 53.22 12.99 3 0 1000.00 -999 ? >GLN.A 7 -3.74 50.17 6.49 -2.59 51.15 5.00 -3.16 50.66 5.75 2 0 1000.00 -999 ? >SER.A 8 -4.53 47.28 10.14 -5.42 45.46 8.81 -4.98 46.37 9.48 2 0 1000.00 -999 ? >GLU^A 9 -1.79 44.33 8.17 -1.29 42.52 7.20 -1.54 43.42 7.69 2 0 1000.00 -999 ? >TYR^A 10 2.42 51.46 7.35 3.74 53.33 5.80 3.08 52.39 6.57 3 0 1000.00 -999 ? >GLY.A 11 4.77 47.24 6.21 4.17 47.03 6.78 4.47 47.13 6.50 1 0 1000.00 -999 ? >VAL.A 12 6.13 45.06 9.01 7.89 44.98 10.33 7.01 45.02 9.67 3 0 1000.00 -999 ? >LEU^A 13 3.57 48.03 11.85 5.10 49.16 12.93 4.33 48.60 12.39 3 0 1000.00 -999 ? >LYS^A 14 0.56 44.39 12.06 -1.20 39.83 9.38 -0.32 42.11 10.72 2 0 1000.00 -999 ? >ALA.A 15 -2.24 45.43 14.43 -3.60 45.97 14.03 -2.92 45.70 14.23 2 0 1000.00 -999 ? >GLY.A 16 -2.30 43.46 17.67 -1.58 43.64 17.34 -1.94 43.55 17.51 1 0 1000.00 -999 ? >GLN.A 17 1.37 41.00 15.32 1.55 39.06 16.18 1.46 40.03 15.75 2 0 1000.00 -999 ? >CYH^A 18 4.04 43.65 19.83 2.79 43.31 22.30 3.41 43.48 21.06 2 0 1000.00 -999 ? >TYR^A 19 6.29 45.65 16.48 4.76 44.40 14.53 5.52 45.02 15.51 3 0 1000.00 -999 ? >LYS^A 20 10.64 46.13 20.37 16.38 44.11 22.28 13.51 45.12 21.32 2 0 1000.00 -999 ? >VAL^A 21 12.26 49.40 19.34 11.85 51.50 19.66 12.06 50.45 19.50 3 0 1000.00 -999 ? >VAL.A 22 15.64 48.33 17.90 15.17 46.56 16.70 15.40 47.45 17.30 3 0 1000.00 -999 ? >ARG.A 23 18.77 53.66 14.09 19.92 52.84 11.38 19.35 53.25 12.74 2 0 1000.00 -999 ? >SER.A 24 16.15 54.86 19.04 17.29 54.67 21.21 16.72 54.76 20.12 2 0 1000.00 -999 ? >PHE^A 25 12.41 56.30 15.95 9.83 55.36 16.44 11.12 55.83 16.20 3 0 1000.00 -999 ? >ARG^A 26 14.94 63.45 18.91 14.97 63.54 21.98 14.95 63.49 20.44 2 0 1000.00 -999 ? >ASP.A 27 8.05 60.82 15.86 7.03 61.93 17.38 7.54 61.38 16.62 2 0 1000.00 -999 ? >TYR.A 28 6.66 65.88 11.96 6.31 68.37 10.79 6.48 67.13 11.37 3 0 1000.00 -999 ? >ARG.A 29 3.61 65.04 16.38 0.67 64.43 15.48 2.14 64.73 15.93 2 0 1000.00 -999 ? >ASN.A 30 11.27 66.75 18.19 13.39 66.55 18.18 12.33 66.65 18.18 2 0 1000.00 -999 ? >ILE.A 31 8.11 62.22 20.73 7.49 62.52 22.15 7.80 62.37 21.44 3 0 1000.00 -999 ? >ASN^A 32 13.52 60.49 21.97 15.06 59.07 21.54 14.29 59.78 21.75 2 0 1000.00 -999 ? >TYR^A 33 9.25 56.66 20.08 7.09 58.33 19.64 8.17 57.50 19.86 3 0 1000.00 -999 ? >GLU.A 34 15.65 54.37 25.16 15.72 54.48 27.28 15.69 54.42 26.22 2 0 1000.00 -999 ? >ARG.A 35 19.01 49.53 20.74 22.05 49.81 20.98 20.53 49.67 20.86 2 0 1000.00 -999 ? >GLY.A 36 14.37 48.49 24.14 13.84 49.00 23.78 14.11 48.75 23.96 1 0 1000.00 -999 ? >ASP.A 37 10.49 51.38 23.83 10.46 52.85 25.31 10.48 52.11 24.57 2 0 1000.00 -999 ? >VAL^A 38 8.07 47.56 23.64 8.27 45.45 24.06 8.17 46.51 23.85 3 0 1000.00 -999 ? >MET?A 39 4.70 48.63 22.20 5.62 52.77 21.46 5.16 50.70 21.83 2 0 1000.00 -999 ? >ARG^A 40 -1.39 44.65 21.38 -3.48 46.51 22.61 -2.44 45.58 21.99 2 0 1000.00 -999 ? >PHE^A 41 0.94 48.54 14.60 0.37 50.17 12.39 0.66 49.35 13.50 3 0 1000.00 -999 ? >LEU^A 42 -3.33 50.61 17.73 -3.40 50.55 19.88 -3.37 50.58 18.80 3 0 1000.00 -999 ? >GLY^A 43 -2.89 50.63 13.22 -2.43 51.15 13.68 -2.66 50.89 13.45 1 0 1000.00 -999 ? >SER^A 44 -1.92 53.49 10.92 -1.24 52.43 8.85 -1.58 52.96 9.89 2 0 1000.00 -999 ? >ASN^A 45 -4.38 57.23 9.68 -5.56 58.39 8.37 -4.97 57.81 9.03 2 0 1000.00 -999 ? >PHE^A 46 0.00 58.22 4.18 1.82 59.66 2.62 0.91 58.94 3.40 3 0 1000.00 -999 ? >VAL^A 47 -2.59 61.82 5.03 -3.50 63.38 6.25 -3.05 62.60 5.64 3 0 1000.00 -999 ? >PRO.A 48 -3.01 60.70 0.94 -1.58 62.01 2.06 -2.29 61.36 1.50 3 0 1000.00 -999 ? >TYR.A 49 -2.30 68.23 1.30 -2.01 70.89 0.54 -2.15 69.56 0.92 3 0 1000.00 -999 ? >GLU.A 50 -0.87 67.27 5.82 -1.96 66.63 7.51 -1.42 66.95 6.67 2 0 1000.00 -999 ? >SER.A 51 2.84 63.14 3.80 4.30 63.26 1.85 3.57 63.20 2.83 2 0 1000.00 -999 ? >GLY^A 52 1.64 62.66 7.37 1.48 62.06 6.84 1.56 62.36 7.11 1 0 1000.00 -999 ? >LEU^A 53 3.04 58.13 8.09 2.94 55.95 7.98 2.99 57.04 8.03 3 0 1000.00 -999 ? >SER^A 54 0.49 58.25 11.98 -0.82 60.21 12.44 -0.17 59.23 12.21 2 0 1000.00 -999 ? >LEU^A 55 2.95 54.48 13.54 3.97 53.92 11.68 3.46 54.20 12.61 3 0 1000.00 -999 ? >PHE^A 56 -2.70 55.67 16.16 -3.68 58.12 15.25 -3.19 56.89 15.70 3 0 1000.00 -999 ? >PHE^A 57 3.02 51.69 18.37 4.51 50.93 16.12 3.76 51.31 17.24 3 0 1000.00 -999 ? >ASP^A 58 -1.19 49.86 23.33 -1.49 49.75 25.42 -1.34 49.81 24.38 2 0 1000.00 -999 ? >LYS^A 59 2.49 51.49 25.52 7.14 51.53 27.28 4.82 51.51 26.40 2 0 1000.00 -999 ? >ASN.A 60 2.66 50.91 30.04 4.62 50.07 30.07 3.64 50.49 30.05 2 0 1000.00 -999 ? >GLY.A 61 -1.98 50.86 28.39 -1.46 51.40 28.07 -1.72 51.13 28.23 1 0 1000.00 -999 ? >SER^A 62 -1.56 54.38 27.03 -0.61 56.61 27.09 -1.09 55.50 27.06 2 0 1000.00 -999 ? >GLU^A 63 -3.60 55.76 21.35 -5.58 56.07 20.73 -4.59 55.92 21.04 2 0 1000.00 -999 ? >ARG^A 64 2.45 56.84 24.36 5.35 57.84 24.03 3.90 57.34 24.20 2 0 1000.00 -999 ? >GLN^A 65 -0.59 59.92 16.39 -1.96 61.50 16.01 -1.27 60.71 16.20 2 0 1000.00 -999 ? >ILE^A 66 4.79 57.13 16.30 6.03 56.42 16.76 5.41 56.77 16.53 3 0 1000.00 -999 ? >MET?A 67 3.81 61.02 13.72 1.74 62.75 11.70 2.77 61.88 12.71 2 0 1000.00 -999 ? >LEU^A 68 6.65 59.28 10.47 7.75 57.89 11.76 7.20 58.59 11.12 3 0 1000.00 -999 ? >CYH^A 69 6.46 63.14 7.88 6.88 65.42 6.31 6.67 64.28 7.10 2 0 1000.00 -999 ? >VAL.A 70 7.30 60.84 4.97 6.41 58.88 4.68 6.85 59.86 4.82 3 0 1000.00 -999 ? >ARG.A 71 7.70 66.33 2.51 8.69 67.19 -0.27 8.20 66.76 1.12 2 0 1000.00 -999 ? >PRO.A 72 12.99 63.16 0.32 12.78 62.79 2.54 12.88 62.98 1.43 3 0 1000.00 -999 ? >GLU.A 73 12.94 67.63 4.30 11.78 67.08 2.62 12.36 67.36 3.46 2 0 1000.00 -999 ? >PHE.A 74 10.69 66.54 7.76 10.55 69.31 7.92 10.62 67.92 7.84 3 0 1000.00 -999 ? >GLN~A 75 10.72 61.59 10.91 10.11 63.63 10.83 10.42 62.61 10.87 2 0 1000.00 -999 ? >MET?A 76 10.98 58.92 5.22 11.53 58.84 0.85 11.26 58.88 3.04 2 0 1000.00 -999 ? >GLU~A 77 15.93 57.01 8.45 16.95 55.31 7.69 16.44 56.16 8.07 2 0 1000.00 -999 ? >ILE~A 78 11.44 56.42 10.66 11.46 56.83 11.92 11.45 56.63 11.29 3 0 1000.00 -999 ? >ALA~A 79 8.70 55.10 7.47 7.85 56.24 6.88 8.27 55.67 7.18 2 0 1000.00 -999 ? >HIS~A 80 10.48 54.91 2.52 9.40 55.77 0.94 9.94 55.34 1.73 3 0 1000.00 -999 ? >HIS~A 81 14.77 52.24 5.53 15.43 53.11 3.74 15.10 52.68 4.64 3 0 1000.00 -999 ? >LEU~A 82 9.06 49.89 9.53 7.59 51.47 9.64 8.33 50.68 9.59 3 0 1000.00 -999 ? >ASP~A 83 12.67 45.77 9.31 13.33 46.26 7.37 13.00 46.01 8.34 2 0 1000.00 -999 ? >SER~A 84 15.54 49.14 11.22 16.73 49.88 9.18 16.13 49.51 10.20 2 0 1000.00 -999 ? >TYR.A 85 13.60 52.80 12.96 15.51 54.46 11.79 14.56 53.63 12.37 3 0 1000.00 -999 ? >PHE^A 86 8.99 49.60 15.08 8.17 52.14 15.86 8.58 50.87 15.47 3 0 1000.00 -999 ? >CYH^A 87 11.33 44.20 15.60 12.92 41.91 15.93 12.12 43.06 15.76 2 0 1000.00 -999 ? >LYS^A 88 8.38 41.88 16.18 5.50 37.64 15.77 6.94 39.76 15.98 2 0 1000.00 -999 ? >LEU.A 89 8.99 39.04 19.51 8.05 37.27 18.67 8.52 38.15 19.09 3 0 1000.00 -999 ? >ARG.B 3 29.54 79.12 9.06 28.05 78.32 6.49 28.79 78.72 7.78 2 0 1000.00 -999 ? >ASP.B 4 30.24 84.62 14.76 30.97 85.45 16.56 30.61 85.03 15.66 2 0 1000.00 -999 ? >TYR.B 5 25.98 80.70 13.80 26.03 79.46 11.32 26.00 80.08 12.56 3 0 1000.00 -999 ? >LEU.B 6 29.60 77.32 14.33 28.24 76.31 12.94 28.92 76.81 13.63 3 0 1000.00 -999 ? >GLN.B 7 32.44 75.60 20.29 31.89 74.15 21.73 32.16 74.87 21.01 2 0 1000.00 -999 ? >SER.B 8 35.01 77.41 16.56 36.29 78.96 17.92 35.65 78.18 17.24 2 0 1000.00 -999 ? >GLU^B 9 39.05 75.73 18.77 40.80 75.54 19.96 39.93 75.64 19.37 2 0 1000.00 -999 ? >TYR^B 10 33.59 69.62 19.36 32.22 67.81 20.97 32.91 68.71 20.17 3 0 1000.00 -999 ? >GLY.B 11 38.36 68.67 20.44 38.40 69.36 19.92 38.38 69.01 20.18 1 0 1000.00 -999 ? >VAL.B 12 41.03 68.33 17.74 41.51 66.73 16.33 41.27 67.53 17.04 3 0 1000.00 -999 ? >LEU^B 13 37.35 69.62 14.91 36.78 67.77 13.88 37.06 68.70 14.39 3 0 1000.00 -999 ? >LYS^B 14 39.63 73.74 14.57 43.34 77.16 16.57 41.49 75.45 15.57 2 0 1000.00 -999 ? >ALA.B 15 37.60 76.08 12.35 36.72 77.22 12.86 37.16 76.65 12.60 2 0 1000.00 -999 ? >GLY.B 16 39.28 76.89 9.03 39.37 76.16 9.34 39.32 76.52 9.18 1 0 1000.00 -999 ? >GLN.B 17 42.94 74.43 11.23 44.70 75.09 10.23 43.82 74.76 10.73 2 0 1000.00 -999 ? >CYH^B 18 41.45 70.89 6.77 41.43 72.31 4.40 41.44 71.60 5.58 2 0 1000.00 -999 ? >TYR^B 19 40.52 68.14 10.37 41.12 70.01 12.33 40.82 69.08 11.35 3 0 1000.00 -999 ? >LYS^B 20 41.46 63.91 6.52 45.75 59.50 4.84 43.60 61.70 5.68 2 0 1000.00 -999 ? >VAL^B 21 39.23 61.09 7.70 37.12 60.56 7.49 38.17 60.83 7.60 3 0 1000.00 -999 ? >VAL.B 22 41.43 58.34 9.15 42.83 59.48 10.35 42.13 58.91 9.75 3 0 1000.00 -999 ? >ARG.B 23 38.05 53.96 13.65 36.77 52.44 16.02 37.41 53.20 14.83 2 0 1000.00 -999 ? >SER.B 24 35.65 55.32 8.18 36.48 54.27 6.16 36.06 54.80 7.17 2 0 1000.00 -999 ? >PHE^B 25 32.72 58.26 11.03 32.63 60.99 10.51 32.68 59.62 10.77 3 0 1000.00 -999 ? >ARG^B 26 26.94 54.20 7.89 26.83 53.28 4.98 26.88 53.74 6.43 2 0 1000.00 -999 ? >ASP.B 27 26.94 60.75 10.82 25.66 61.35 9.22 26.30 61.05 10.02 2 0 1000.00 -999 ? >TYR.B 28 21.51 60.30 14.36 19.07 59.86 15.65 20.29 60.08 15.01 3 0 1000.00 -999 ? >ARG.B 29 20.34 63.46 8.83 19.89 65.90 10.63 20.11 64.68 9.73 2 0 1000.00 -999 ? >ASN.B 30 22.40 55.98 7.35 21.01 55.43 8.86 21.71 55.71 8.11 2 0 1000.00 -999 ? >ILE.B 31 26.11 60.41 5.79 25.59 60.64 4.53 25.85 60.52 5.16 3 0 1000.00 -999 ? >ASN^B 32 29.41 55.87 4.31 31.26 54.85 4.54 30.34 55.36 4.43 2 0 1000.00 -999 ? >TYR^B 33 31.42 61.03 6.92 29.17 62.65 7.05 30.30 61.84 6.99 3 0 1000.00 -999 ? >GLU.B 34 34.46 55.92 2.08 34.88 54.05 2.95 34.67 54.98 2.51 2 0 1000.00 -999 ? >ARG.B 35 41.92 54.98 6.61 42.55 51.98 6.62 42.23 53.48 6.62 2 0 1000.00 -999 ? >GLY.B 36 40.76 59.48 2.87 40.11 59.78 3.26 40.44 59.63 3.07 1 0 1000.00 -999 ? >ASP.B 37 36.56 61.88 3.27 35.24 60.92 1.95 35.90 61.40 2.61 2 0 1000.00 -999 ? >VAL^B 38 39.24 65.60 3.08 41.23 66.23 2.48 40.23 65.92 2.78 3 0 1000.00 -999 ? >MET?B 39 37.08 68.39 4.47 33.53 65.97 5.14 35.31 67.18 4.80 2 0 1000.00 -999 ? >ARG^B 40 38.56 75.45 4.99 35.94 76.76 4.10 37.25 76.11 4.55 2 0 1000.00 -999 ? >PHE^B 41 35.81 71.81 12.07 34.10 71.83 14.27 34.95 71.82 13.17 3 0 1000.00 -999 ? >LEU^B 42 32.39 75.19 9.08 32.48 75.32 6.94 32.43 75.26 8.01 3 0 1000.00 -999 ? >GLY^B 43 32.43 74.75 13.55 32.13 74.12 13.08 32.28 74.44 13.32 1 0 1000.00 -999 ? >SER^B 44 30.05 72.79 15.73 31.15 72.61 17.87 30.60 72.70 16.80 2 0 1000.00 -999 ? >ASN^B 45 25.59 73.74 16.62 23.98 74.43 17.84 24.79 74.08 17.23 2 0 1000.00 -999 ? >PHE^B 46 25.80 69.54 22.26 25.10 67.34 23.82 25.45 68.44 23.04 3 0 1000.00 -999 ? >VAL^B 47 21.57 70.44 20.88 19.97 70.55 19.41 20.77 70.50 20.14 3 0 1000.00 -999 ? >PRO.B 48 21.88 71.61 24.95 21.39 69.69 23.90 21.63 70.65 24.43 3 0 1000.00 -999 ? >TYR.B 49 15.37 67.90 24.83 13.11 66.72 25.94 14.24 67.31 25.38 3 0 1000.00 -999 ? >GLU.B 50 17.11 66.51 20.11 16.81 67.31 18.18 16.96 66.91 19.14 2 0 1000.00 -999 ? >SER.B 51 22.46 64.99 22.50 22.28 63.52 24.42 22.37 64.25 23.46 2 0 1000.00 -999 ? >GLY^B 52 22.78 66.13 18.89 23.23 66.54 19.45 23.01 66.33 19.17 1 0 1000.00 -999 ? >LEU^B 53 27.52 66.56 18.55 29.50 67.49 18.65 28.51 67.03 18.60 3 0 1000.00 -999 ? >SER^B 54 26.54 68.74 14.49 24.21 69.23 13.95 25.38 68.99 14.22 2 0 1000.00 -999 ? >LEU^B 55 31.09 67.91 13.17 32.01 67.29 15.04 31.55 67.60 14.11 3 0 1000.00 -999 ? >PHE^B 56 27.83 72.70 10.65 25.25 72.72 11.73 26.54 72.71 11.19 3 0 1000.00 -999 ? >PHE^B 57 33.68 68.88 8.32 34.90 67.76 10.57 34.29 68.32 9.44 3 0 1000.00 -999 ? >ASP^B 58 33.56 73.52 3.48 33.66 73.85 1.40 33.61 73.68 2.44 2 0 1000.00 -999 ? >LYS^B 59 33.50 69.48 1.20 34.52 64.64 -0.84 34.01 67.06 0.18 2 0 1000.00 -999 ? >ASN.B 60 33.88 69.37 -3.25 35.35 67.83 -3.25 34.61 68.60 -3.25 2 0 1000.00 -999 ? >GLY.B 61 32.36 73.85 -1.94 32.10 73.27 -1.51 32.23 73.56 -1.73 1 0 1000.00 -999 ? >SER^B 62 29.26 72.66 -0.07 28.72 70.37 -0.67 28.99 71.52 -0.37 2 0 1000.00 -999 ? >GLU^B 63 28.02 73.61 5.95 26.96 75.11 7.00 27.49 74.36 6.47 2 0 1000.00 -999 ? >ARG^B 64 27.71 67.41 2.71 26.38 66.24 0.19 27.04 66.83 1.45 2 0 1000.00 -999 ? >GLN^B 65 24.46 68.74 10.28 22.35 68.89 10.56 23.40 68.81 10.42 2 0 1000.00 -999 ? >ILE^B 66 29.46 65.25 10.34 30.65 64.43 9.97 30.06 64.84 10.15 3 0 1000.00 -999 ? >MET?B 67 25.29 64.42 12.65 22.38 66.06 13.20 23.84 65.24 12.92 2 0 1000.00 -999 ? >LEU^B 68 28.11 63.00 16.22 29.93 62.57 15.08 29.02 62.79 15.65 3 0 1000.00 -999 ? >CYH^B 69 24.19 61.62 18.44 21.95 60.56 19.73 23.07 61.09 19.08 2 0 1000.00 -999 ? >VAL.B 70 26.33 61.55 21.55 27.83 63.06 22.00 27.08 62.31 21.77 3 0 1000.00 -999 ? >ARG.B 71 21.26 59.64 23.43 18.96 61.73 23.58 20.11 60.69 23.50 2 0 1000.00 -999 ? >PRO.B 72 26.19 55.09 25.67 26.19 55.47 23.45 26.19 55.28 24.56 3 0 1000.00 -999 ? >GLU.B 73 21.72 53.02 19.76 19.62 53.18 19.99 20.67 53.10 19.87 2 0 1000.00 -999 ? >PHE.B 74 22.69 56.67 18.01 20.03 55.83 17.82 21.36 56.25 17.92 3 0 1000.00 -999 ? >GLN~B 75 27.58 58.59 15.41 25.49 58.15 15.30 26.54 58.37 15.36 2 0 1000.00 -999 ? >MET?B 76 29.46 58.74 21.40 28.93 58.04 25.48 29.19 58.39 23.44 2 0 1000.00 -999 ? >GLU~B 77 33.83 54.99 19.08 35.82 55.05 19.87 34.83 55.02 19.48 2 0 1000.00 -999 ? >ILE~B 78 32.44 59.22 16.41 32.13 59.02 15.06 32.28 59.12 15.73 3 0 1000.00 -999 ? >ALA~B 79 32.43 62.32 19.51 31.06 62.64 20.11 31.74 62.48 19.81 2 0 1000.00 -999 ? >HIS~B 80 32.97 60.88 24.35 31.44 61.49 25.64 32.20 61.19 24.99 3 0 1000.00 -999 ? >HIS~B 81 37.41 58.14 21.76 37.06 57.30 23.65 37.24 57.72 22.70 3 0 1000.00 -999 ? >LEU~B 82 37.28 64.04 17.35 35.24 64.72 17.03 36.26 64.38 17.19 3 0 1000.00 -999 ? >ASP~B 83 42.64 62.65 17.70 42.68 61.73 19.61 42.66 62.19 18.65 2 0 1000.00 -999 ? >SER~B 84 40.80 58.49 16.05 40.69 57.36 18.21 40.75 57.93 17.13 2 0 1000.00 -999 ? >TYR.B 85 36.63 58.63 14.24 35.75 56.43 15.68 36.19 57.53 14.96 3 0 1000.00 -999 ? >PHE^B 86 37.82 64.06 11.89 35.20 63.85 11.00 36.51 63.95 11.45 3 0 1000.00 -999 ? >CYH^B 87 43.69 64.03 11.34 46.35 63.35 10.98 45.02 63.69 11.16 2 0 1000.00 -999 ? >LYS^B 88 44.90 67.53 10.62 47.92 72.59 11.47 46.41 70.06 11.04 2 0 1000.00 -999 ? >LEU.B 89 47.20 67.48 6.86 48.43 69.06 7.22 47.82 68.27 7.04 3 0 1000.00 -999 ?