REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-DEC-05 2FIU COMPND CONSERVED HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; SOURCE 3 ORGANISM_TAXID: 176299; SOURCE 4 STRAIN: C58; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR Y.KIM,X.XU,H.ZHENG,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 89 8 HET MSE A 90 8 HET MSE B 1 8 HET MSE B 89 8 HET MSE B 90 8 >MET?A 1 1.08 0.93 38.25 3.39 1.49 35.41 2.23 1.21 36.83 2 0 1000.00 -999 ? >ALA.A 2 1.49 4.50 39.56 2.71 5.01 40.31 2.10 4.76 39.94 2 0 1000.00 -999 ? >LYS.A 3 -0.12 7.30 37.43 -4.77 5.09 35.80 -2.44 6.19 36.61 2 0 1000.00 -999 ? >GLY^A 4 1.97 10.06 35.89 1.11 10.14 35.98 1.54 10.10 35.94 1 0 1000.00 -999 ? >TYR^A 5 -0.57 13.09 38.61 -2.47 11.26 39.51 -1.52 12.18 39.06 3 0 1000.00 -999 ? >TRP^A 6 1.54 18.24 31.46 3.27 16.83 28.18 2.41 17.54 29.82 3 0 1000.00 -999 ? >ILE^A 7 2.20 19.59 37.15 1.87 19.67 38.57 2.04 19.63 37.86 3 0 1000.00 -999 ? >ALA^A 8 2.28 22.63 33.51 1.82 22.54 32.03 2.05 22.58 32.77 2 0 1000.00 -999 ? >GLN^A 9 3.04 25.15 37.21 4.38 25.39 38.86 3.71 25.27 38.03 2 0 1000.00 -999 ? >VAL^A 10 2.17 28.72 32.13 1.75 27.61 30.22 1.96 28.17 31.18 3 0 1000.00 -999 ? >ASP^A 11 2.94 33.54 32.30 2.62 33.66 34.40 2.78 33.60 33.35 2 0 1000.00 -999 ? >VAL^A 12 0.79 33.16 28.08 -0.76 31.92 27.14 0.01 32.54 27.61 3 0 1000.00 -999 ? >ARG.A 13 5.67 37.11 26.28 7.28 34.53 25.85 6.48 35.82 26.07 2 0 1000.00 -999 ? >ASP~A 14 0.81 35.33 21.56 -0.25 35.69 19.72 0.28 35.51 20.64 2 0 1000.00 -999 ? >SER~A 15 -3.33 33.66 23.55 -5.19 35.24 23.55 -4.26 34.45 23.55 2 0 1000.00 -999 ? >GLU~A 16 -4.75 34.35 17.54 -4.61 36.14 16.38 -4.68 35.25 16.96 2 0 1000.00 -999 ? >ARG~A 17 1.76 33.36 17.26 4.71 32.61 17.03 3.23 32.99 17.15 2 0 1000.00 -999 ? >TYR~A 18 -1.14 29.09 24.84 -0.56 27.13 26.75 -0.85 28.11 25.79 3 0 1000.00 -999 ? >LYS~A 19 -4.67 28.14 21.11 -9.96 31.71 21.30 -7.32 29.93 21.21 2 0 1000.00 -999 ? >ASP~A 20 -1.83 27.61 17.16 -2.93 28.92 15.87 -2.38 28.27 16.51 2 0 1000.00 -999 ? >TYR~A 21 0.73 24.77 22.78 1.24 23.01 24.90 0.98 23.89 23.84 3 0 1000.00 -999 ? >VAL~A 22 -3.42 23.48 22.45 -4.84 24.14 24.03 -4.13 23.81 23.24 3 0 1000.00 -999 ? >SER~A 23 -5.06 22.18 19.29 -5.15 23.93 17.63 -5.10 23.06 18.46 2 0 1000.00 -999 ? >THR~A 24 -1.79 20.83 17.82 -0.59 22.42 16.78 -1.19 21.62 17.30 2 0 1000.00 -999 ? >ALA~A 25 -0.85 19.20 21.16 -0.63 19.96 22.48 -0.74 19.58 21.82 2 0 1000.00 -999 ? >LYS~A 26 -4.25 17.51 21.41 -10.54 17.74 22.02 -7.39 17.63 21.72 2 0 1000.00 -999 ? >PRO~A 27 -3.83 15.92 17.28 -3.82 15.11 19.40 -3.82 15.51 18.34 3 0 1000.00 -999 ? >ALA~A 28 -0.48 13.61 21.15 0.74 14.50 21.34 0.13 14.06 21.25 2 0 1000.00 -999 ? >PHE~A 29 -2.18 16.14 25.55 -0.39 18.01 26.59 -1.29 17.07 26.07 3 0 1000.00 -999 ? >GLU~A 30 -7.24 12.75 22.39 -8.44 13.45 20.79 -7.84 13.10 21.59 2 0 1000.00 -999 ? >ARG~A 31 -0.01 8.81 18.87 2.88 9.98 18.84 1.43 9.40 18.86 2 0 1000.00 -999 ? >PHE~A 32 1.37 9.11 24.34 3.28 8.50 22.35 2.33 8.81 23.35 3 0 1000.00 -999 ? >GLY.A 33 -4.14 8.43 27.38 -3.74 9.12 27.34 -3.94 8.77 27.36 1 0 1000.00 -999 ? >ALA.A 34 -4.13 11.98 28.83 -3.77 13.26 28.09 -3.95 12.62 28.46 2 0 1000.00 -999 ? >ASN^A 35 -7.20 11.42 32.38 -8.93 11.81 33.50 -8.07 11.61 32.94 2 0 1000.00 -999 ? >PHE^A 36 -6.56 17.65 29.94 -4.61 18.26 28.03 -5.58 17.96 28.98 3 0 1000.00 -999 ? >LEU^A 37 -7.03 16.45 36.80 -7.01 14.31 37.28 -7.02 15.38 37.04 3 0 1000.00 -999 ? >ALA^A 38 -7.44 20.79 35.52 -6.78 21.37 36.78 -7.11 21.08 36.15 2 0 1000.00 -999 ? >ARG.A 39 -8.58 22.66 28.86 -9.36 19.69 28.45 -8.97 21.17 28.66 2 0 1000.00 -999 ? >GLY.A 40 -6.31 26.68 33.29 -6.85 26.21 33.68 -6.58 26.44 33.48 1 0 1000.00 -999 ? >GLY.A 41 -9.03 26.70 35.99 -8.27 27.07 35.97 -8.65 26.89 35.98 1 0 1000.00 -999 ? >SER.A 42 -9.03 29.60 38.42 -11.13 29.67 39.62 -10.08 29.63 39.02 2 0 1000.00 -999 ? >VAL^A 43 -6.05 29.75 40.78 -4.04 29.80 39.84 -5.04 29.77 40.31 3 0 1000.00 -999 ? >THR^A 44 -6.20 30.49 44.47 -7.81 30.25 45.84 -7.01 30.37 45.15 2 0 1000.00 -999 ? >GLU^A 45 -1.72 32.96 43.59 -0.53 34.69 43.18 -1.12 33.82 43.38 2 0 1000.00 -999 ? >LEU^A 46 -2.05 28.72 49.32 -3.92 27.57 49.37 -2.99 28.14 49.35 3 0 1000.00 -999 ? >GLU^A 47 1.80 29.95 51.63 2.44 28.42 52.98 2.12 29.19 52.31 2 0 1000.00 -999 ? >GLY.A 48 4.19 32.31 46.67 3.35 32.36 46.62 3.77 32.34 46.64 1 0 1000.00 -999 ? >THR.A 49 3.40 33.44 43.14 3.91 35.36 42.24 3.66 34.40 42.69 2 0 1000.00 -999 ? >ALA.A 50 1.46 31.22 40.74 0.06 30.75 41.04 0.76 30.98 40.89 2 0 1000.00 -999 ? >ARG.A 51 4.49 30.42 34.80 7.19 31.90 34.51 5.84 31.16 34.65 2 0 1000.00 -999 ? >ALA.A 52 -1.89 32.22 35.48 -2.20 33.39 34.51 -2.05 32.80 34.99 2 0 1000.00 -999 ? >ARG^A 53 -3.52 28.61 29.78 -6.57 29.02 29.96 -5.05 28.82 29.87 2 0 1000.00 -999 ? >ASN^A 54 -2.13 25.82 36.91 -1.05 27.56 37.56 -1.59 26.69 37.23 2 0 1000.00 -999 ? >VAL^A 55 -2.72 22.31 33.83 -2.74 22.26 31.62 -2.73 22.29 32.73 3 0 1000.00 -999 ? >VAL^A 56 -2.86 18.94 35.62 -3.02 18.73 37.83 -2.94 18.84 36.72 3 0 1000.00 -999 ? >ILE^A 57 -2.28 15.96 31.93 -2.25 16.24 30.49 -2.26 16.10 31.21 3 0 1000.00 -999 ? >GLU^A 58 -4.28 10.54 36.21 -6.06 9.86 37.12 -5.17 10.20 36.66 2 0 1000.00 -999 ? >PHE^A 59 -0.13 11.11 30.84 0.12 13.17 28.93 -0.01 12.14 29.89 3 0 1000.00 -999 ? >PRO.A 60 -2.71 5.86 30.63 -1.82 6.60 32.53 -2.27 6.23 31.58 3 0 1000.00 -999 ? >SER~A 61 1.87 5.99 33.97 3.12 4.71 32.27 2.49 5.35 33.12 2 0 1000.00 -999 ? >VAL~A 62 4.94 8.24 34.10 6.51 8.85 35.61 5.73 8.54 34.86 3 0 1000.00 -999 ? >GLN~A 63 7.46 4.82 29.42 9.35 5.84 29.55 8.40 5.33 29.49 2 0 1000.00 -999 ? >HIS~A 64 1.13 5.78 29.25 0.54 3.78 29.04 0.84 4.78 29.15 3 0 1000.00 -999 ? >ALA~A 65 3.53 11.06 30.07 3.50 11.54 31.51 3.51 11.30 30.79 2 0 1000.00 -999 ? >ILE~A 66 8.36 10.13 29.62 9.63 9.89 30.31 8.99 10.01 29.97 3 0 1000.00 -999 ? >ASP~A 67 5.85 8.01 25.50 7.14 6.38 26.00 6.49 7.20 25.75 2 0 1000.00 -999 ? >CYH~A 68 3.82 12.01 25.01 1.50 13.64 25.25 2.66 12.83 25.13 2 0 1000.00 -999 ? >TYR~A 69 7.79 16.40 27.05 9.29 18.76 26.85 8.54 17.58 26.95 3 0 1000.00 -999 ? >ASN~A 70 10.05 12.19 23.96 11.12 12.70 25.69 10.58 12.45 24.82 2 0 1000.00 -999 ? >SER~A 71 6.79 12.47 20.55 4.54 13.30 20.89 5.66 12.89 20.72 2 0 1000.00 -999 ? >PRO~A 72 8.02 12.28 16.39 7.35 13.88 17.82 7.69 13.08 17.10 3 0 1000.00 -999 ? >GLU~A 73 2.42 13.76 16.37 3.68 12.04 16.29 3.05 12.90 16.33 2 0 1000.00 -999 ? >TYR~A 74 3.87 17.57 23.37 3.81 19.73 25.14 3.84 18.65 24.26 3 0 1000.00 -999 ? >GLN~A 75 9.32 16.82 21.13 10.11 18.11 22.65 9.71 17.47 21.89 2 0 1000.00 -999 ? >ALA~A 76 6.24 20.28 17.18 5.61 19.63 15.96 5.93 19.96 16.57 2 0 1000.00 -999 ? >ALA~A 77 3.35 21.84 19.12 2.25 21.02 19.82 2.80 21.43 19.47 2 0 1000.00 -999 ? >ALA~A 78 5.72 22.72 21.98 6.64 21.73 22.66 6.18 22.22 22.32 2 0 1000.00 -999 ? >LYS~A 79 7.84 24.95 19.73 10.47 21.53 20.65 9.16 23.24 20.19 2 0 1000.00 -999 ? >ILE~A 80 3.35 26.84 18.79 2.18 26.92 17.90 2.76 26.88 18.34 3 0 1000.00 -999 ? >ARG~A 81 3.60 25.40 26.34 6.16 23.64 26.42 4.88 24.52 26.38 2 0 1000.00 -999 ? >GLN~A 82 9.10 25.78 24.38 10.26 24.13 23.65 9.68 24.96 24.02 2 0 1000.00 -999 ? >GLU~A 83 8.49 31.01 18.99 7.89 31.47 17.01 8.19 31.24 18.00 2 0 1000.00 -999 ? >VAL~A 84 4.59 32.54 23.01 3.10 31.87 21.50 3.85 32.21 22.25 3 0 1000.00 -999 ? >ALA^A 85 4.70 31.54 26.70 3.57 30.55 26.95 4.13 31.04 26.83 2 0 1000.00 -999 ? >ASP^A 86 7.32 32.17 30.69 8.36 33.72 29.68 7.84 32.94 30.19 2 0 1000.00 -999 ? >ALA^A 87 6.28 27.65 31.37 5.62 26.79 30.31 5.95 27.22 30.84 2 0 1000.00 -999 ? >GLU^A 88 8.78 26.47 35.74 8.08 28.44 35.40 8.43 27.45 35.57 2 0 1000.00 -999 ? >MET?A 89 6.56 21.61 33.19 5.44 22.21 29.31 6.00 21.91 31.25 2 0 1000.00 -999 ? >MET?A 90 7.18 18.39 35.01 7.01 19.52 39.13 7.10 18.96 37.07 2 0 1000.00 -999 ? >ILE^A 91 6.07 13.70 34.56 5.91 12.93 33.50 5.99 13.32 34.03 3 0 1000.00 -999 ? >VAL^A 92 5.32 13.73 39.18 5.14 15.07 40.92 5.23 14.40 40.05 3 0 1000.00 -999 ? >GLU^A 93 5.20 7.58 40.00 6.64 6.06 39.72 5.92 6.82 39.86 2 0 1000.00 -999 ? >GLY.A 94 1.43 9.22 41.56 2.15 8.83 41.67 1.79 9.02 41.62 1 0 1000.00 -999 ? >ILE.A 95 0.21 7.76 46.13 -0.81 8.06 46.75 -0.30 7.91 46.44 3 0 1000.00 -999 ? >GLY.A 96 2.72 4.12 45.34 2.90 4.78 45.95 2.81 4.45 45.65 1 0 1000.00 -999 ? >MET?B 1 -18.79 20.78 41.98 -20.14 23.08 44.36 -19.47 21.93 43.17 2 0 1000.00 -999 ? >ALA.B 2 -15.50 20.76 40.15 -14.91 21.89 39.34 -15.20 21.33 39.74 2 0 1000.00 -999 ? >LYS.B 3 -12.71 19.26 42.29 -13.96 14.14 42.17 -13.34 16.70 42.23 2 0 1000.00 -999 ? >GLY^B 4 -10.08 21.46 43.93 -9.98 20.63 43.84 -10.03 21.04 43.89 1 0 1000.00 -999 ? >TYR^B 5 -6.90 19.13 41.13 -8.62 17.15 40.11 -7.76 18.14 40.62 3 0 1000.00 -999 ? >TRP^B 6 -2.02 21.17 48.59 -3.58 22.76 51.85 -2.80 21.96 50.22 3 0 1000.00 -999 ? >ILE^B 7 -0.54 22.03 43.01 -0.50 21.83 41.67 -0.52 21.93 42.34 3 0 1000.00 -999 ? >ALA^B 8 2.43 22.13 46.72 2.36 21.67 48.23 2.40 21.90 47.47 2 0 1000.00 -999 ? >GLN^B 9 5.21 22.97 43.12 5.35 24.39 41.54 5.28 23.68 42.33 2 0 1000.00 -999 ? >VAL^B 10 8.48 22.08 48.34 7.38 21.46 50.22 7.93 21.77 49.28 3 0 1000.00 -999 ? >ASP^B 11 13.27 23.05 48.39 13.45 22.74 46.30 13.36 22.89 47.35 2 0 1000.00 -999 ? >VAL^B 12 12.71 20.87 52.64 11.72 19.10 53.53 12.22 19.98 53.08 3 0 1000.00 -999 ? >ARG.B 13 14.92 26.56 54.60 16.16 28.87 56.21 15.54 27.71 55.41 2 0 1000.00 -999 ? >ASP~B 14 14.69 21.68 59.11 15.16 20.90 61.05 14.93 21.29 60.08 2 0 1000.00 -999 ? >SER~B 15 13.69 17.19 57.32 15.70 15.89 56.90 14.70 16.54 57.11 2 0 1000.00 -999 ? >GLU~B 16 13.94 15.78 63.45 15.47 16.05 64.92 14.70 15.91 64.19 2 0 1000.00 -999 ? >ARG~B 17 12.60 22.26 63.48 11.47 25.11 63.74 12.03 23.68 63.61 2 0 1000.00 -999 ? >TYR~B 18 8.85 18.74 55.77 7.02 19.18 53.71 7.93 18.96 54.74 3 0 1000.00 -999 ? >LYS~B 19 7.77 15.42 59.53 9.70 14.21 64.05 8.73 14.82 61.79 2 0 1000.00 -999 ? >ASP~B 20 7.15 18.51 63.34 8.51 17.59 64.73 7.83 18.05 64.04 2 0 1000.00 -999 ? >TYR~B 21 4.19 20.56 57.55 2.60 20.97 55.31 3.40 20.77 56.43 3 0 1000.00 -999 ? >VAL~B 22 3.32 16.42 57.91 4.18 15.11 56.34 3.75 15.76 57.12 3 0 1000.00 -999 ? >SER~B 23 1.93 14.72 61.03 3.61 14.88 62.78 2.77 14.80 61.91 2 0 1000.00 -999 ? >THR~B 24 0.10 17.78 62.44 1.55 19.02 63.51 0.82 18.40 62.98 2 0 1000.00 -999 ? >ALA~B 25 -1.34 18.71 59.02 -0.54 19.04 57.76 -0.94 18.88 58.39 2 0 1000.00 -999 ? >LYS~B 26 -2.77 15.21 58.60 -2.25 9.00 59.57 -2.51 12.10 59.09 2 0 1000.00 -999 ? >PRO~B 27 -4.45 15.90 62.67 -5.19 15.64 60.55 -4.82 15.77 61.61 3 0 1000.00 -999 ? >ALA~B 28 -6.85 18.79 58.65 -6.04 20.11 58.50 -6.45 19.45 58.58 2 0 1000.00 -999 ? >PHE~B 29 -3.99 17.26 54.41 -2.00 19.11 53.59 -2.99 18.19 54.00 3 0 1000.00 -999 ? >GLU~B 30 -7.11 12.03 57.04 -6.34 10.50 58.30 -6.72 11.27 57.67 2 0 1000.00 -999 ? >ARG~B 31 -12.38 18.43 60.94 -12.24 21.49 60.94 -12.31 19.96 60.94 2 0 1000.00 -999 ? >PHE~B 32 -11.29 20.37 55.43 -12.11 22.18 57.41 -11.70 21.28 56.42 3 0 1000.00 -999 ? >GLY.B 33 -11.60 14.92 52.28 -10.97 15.39 52.37 -11.29 15.16 52.33 1 0 1000.00 -999 ? >ALA.B 34 -8.05 15.19 50.93 -6.81 15.61 51.67 -7.43 15.40 51.30 2 0 1000.00 -999 ? >ASN^B 35 -8.48 12.24 47.19 -8.01 10.55 45.95 -8.24 11.40 46.57 2 0 1000.00 -999 ? >PHE^B 36 -2.36 12.97 49.91 -1.92 14.92 51.88 -2.14 13.94 50.89 3 0 1000.00 -999 ? >LEU^B 37 -3.30 12.66 42.97 -5.36 12.54 42.26 -4.33 12.60 42.62 3 0 1000.00 -999 ? >ALA^B 38 1.05 12.39 44.39 1.64 13.07 43.14 1.35 12.73 43.77 2 0 1000.00 -999 ? >ARG.B 39 2.66 11.92 51.23 0.01 11.93 52.82 1.34 11.92 52.03 2 0 1000.00 -999 ? >GLY.B 40 6.87 13.47 46.91 6.39 12.99 46.48 6.63 13.23 46.70 1 0 1000.00 -999 ? >GLY.B 41 7.01 10.95 44.06 7.36 11.67 44.11 7.19 11.31 44.08 1 0 1000.00 -999 ? >SER.B 42 9.68 10.70 41.41 10.98 9.60 39.73 10.33 10.15 40.57 2 0 1000.00 -999 ? >VAL^B 43 9.84 14.01 39.44 9.66 16.00 40.40 9.75 15.00 39.92 3 0 1000.00 -999 ? >THR^B 44 10.72 14.22 35.78 10.52 12.68 34.27 10.62 13.45 35.03 2 0 1000.00 -999 ? >GLU^B 45 13.20 18.64 36.86 14.83 19.99 37.29 14.01 19.31 37.08 2 0 1000.00 -999 ? >LEU^B 46 9.18 18.31 30.90 8.26 16.37 30.68 8.72 17.34 30.79 3 0 1000.00 -999 ? >GLU^B 47 10.03 22.22 28.79 8.69 23.09 27.41 9.36 22.65 28.10 2 0 1000.00 -999 ? >GLY.B 48 12.36 24.41 33.97 12.52 23.59 33.91 12.44 24.00 33.94 1 0 1000.00 -999 ? >THR.B 49 13.69 23.43 37.37 15.62 23.83 38.30 14.66 23.63 37.84 2 0 1000.00 -999 ? >ALA.B 50 11.30 21.66 39.78 10.83 20.26 39.45 11.06 20.96 39.61 2 0 1000.00 -999 ? >ARG.B 51 10.20 24.53 45.74 11.55 27.22 46.27 10.87 25.87 46.00 2 0 1000.00 -999 ? >ALA.B 52 12.29 18.29 45.01 13.39 18.03 46.05 12.84 18.16 45.53 2 0 1000.00 -999 ? >ARG^B 53 8.03 16.44 50.50 5.19 15.93 51.59 6.61 16.19 51.04 2 0 1000.00 -999 ? >ASN^B 54 5.91 17.85 43.32 7.55 19.05 42.68 6.73 18.45 43.00 2 0 1000.00 -999 ? >VAL^B 55 2.28 17.16 46.16 2.11 16.93 48.37 2.20 17.05 47.26 3 0 1000.00 -999 ? >VAL^B 56 -1.02 16.97 44.29 -1.13 16.88 42.09 -1.07 16.93 43.19 3 0 1000.00 -999 ? >ILE^B 57 -4.13 17.23 47.86 -3.88 17.27 49.26 -4.01 17.25 48.56 3 0 1000.00 -999 ? >GLU^B 58 -9.53 15.18 43.60 -10.12 13.37 42.63 -9.83 14.27 43.12 2 0 1000.00 -999 ? >PHE^B 59 -9.07 19.26 48.98 -6.98 19.43 50.84 -8.03 19.35 49.91 3 0 1000.00 -999 ? >PRO.B 60 -14.22 16.38 48.85 -13.52 17.51 47.04 -13.86 16.95 47.94 3 0 1000.00 -999 ? >SER~B 61 -14.23 21.20 45.78 -15.58 22.32 47.53 -14.91 21.76 46.66 2 0 1000.00 -999 ? >VAL~B 62 -12.10 24.37 45.75 -11.57 25.95 44.35 -11.84 25.16 45.05 3 0 1000.00 -999 ? >GLN~B 63 -15.83 26.58 50.23 -14.93 28.51 50.27 -15.38 27.54 50.25 2 0 1000.00 -999 ? >HIS~B 64 -14.60 20.23 50.39 -16.47 19.38 50.85 -15.53 19.81 50.62 3 0 1000.00 -999 ? >ALA~B 65 -9.35 22.89 49.75 -8.80 22.94 48.38 -9.08 22.92 49.06 2 0 1000.00 -999 ? >ILE~B 66 -10.45 27.64 50.28 -10.73 28.86 49.66 -10.59 28.25 49.97 3 0 1000.00 -999 ? >ASP~B 67 -12.65 24.97 54.31 -14.28 26.13 53.63 -13.46 25.55 53.97 2 0 1000.00 -999 ? >CYH~B 68 -8.64 23.02 54.84 -6.87 20.75 54.54 -7.75 21.89 54.69 2 0 1000.00 -999 ? >TYR~B 69 -4.32 27.23 53.11 -2.03 28.86 53.34 -3.17 28.04 53.22 3 0 1000.00 -999 ? >ASN~B 70 -8.90 28.83 56.07 -8.44 30.27 54.63 -8.67 29.55 55.35 2 0 1000.00 -999 ? >SER~B 71 -8.47 25.56 59.34 -7.36 23.46 58.72 -7.91 24.51 59.03 2 0 1000.00 -999 ? >PRO~B 72 -9.15 26.29 63.60 -7.36 26.13 62.23 -8.25 26.21 62.92 3 0 1000.00 -999 ? >GLU~B 73 -5.85 20.29 62.41 -7.44 18.91 62.32 -6.64 19.60 62.37 2 0 1000.00 -999 ? >TYR~B 74 -3.06 23.35 56.64 -0.79 23.30 54.99 -1.93 23.33 55.82 3 0 1000.00 -999 ? >GLN~B 75 -4.39 28.65 59.06 -3.10 29.60 57.65 -3.74 29.13 58.36 2 0 1000.00 -999 ? >ALA~B 76 -0.69 25.86 62.96 -1.27 25.20 64.19 -0.98 25.53 63.57 2 0 1000.00 -999 ? >ALA~B 77 1.08 23.09 60.97 0.35 21.93 60.28 0.71 22.51 60.63 2 0 1000.00 -999 ? >ALA~B 78 1.92 25.60 58.21 0.91 26.43 57.42 1.41 26.01 57.82 2 0 1000.00 -999 ? >LYS~B 79 3.89 27.83 60.65 2.06 31.85 58.97 2.97 29.84 59.81 2 0 1000.00 -999 ? >ILE~B 80 5.79 23.41 61.60 5.81 22.32 62.58 5.80 22.87 62.09 3 0 1000.00 -999 ? >ARG~B 81 4.93 23.33 53.90 3.06 25.80 53.94 4.00 24.57 53.92 2 0 1000.00 -999 ? >GLN~B 82 5.07 29.14 55.97 3.32 30.06 56.77 4.19 29.60 56.37 2 0 1000.00 -999 ? >GLU~B 83 9.62 29.10 61.13 10.12 29.22 63.19 9.87 29.16 62.16 2 0 1000.00 -999 ? >VAL~B 84 11.65 24.58 57.67 10.85 23.16 59.19 11.25 23.87 58.43 3 0 1000.00 -999 ? >ALA^B 85 10.88 24.61 53.94 9.84 23.48 53.75 10.36 24.05 53.84 2 0 1000.00 -999 ? >ASP^B 86 11.54 27.34 50.05 13.01 28.26 51.27 12.27 27.80 50.66 2 0 1000.00 -999 ? >ALA^B 87 7.16 26.09 49.09 6.26 25.34 50.08 6.71 25.72 49.58 2 0 1000.00 -999 ? >GLU^B 88 6.14 28.75 44.66 8.11 28.04 44.97 7.12 28.40 44.81 2 0 1000.00 -999 ? >MET?B 89 1.24 26.36 47.11 1.69 25.10 51.00 1.47 25.73 49.05 2 0 1000.00 -999 ? >MET?B 90 -1.96 26.89 45.20 -0.65 26.85 41.10 -1.31 26.87 43.15 2 0 1000.00 -999 ? >ILE^B 91 -6.61 25.73 45.54 -7.36 25.40 46.61 -6.99 25.57 46.08 3 0 1000.00 -999 ? >VAL^B 92 -6.48 25.07 40.86 -5.08 24.74 39.23 -5.78 24.91 40.05 3 0 1000.00 -999 ? >GLU^B 93 -12.58 24.96 39.60 -14.15 26.34 39.80 -13.37 25.65 39.70 2 0 1000.00 -999 ? >GLY.B 94 -10.72 21.20 38.23 -11.14 21.89 38.13 -10.93 21.55 38.18 1 0 1000.00 -999 ? >ILE.B 95 -12.09 19.94 33.68 -11.54 18.90 33.03 -11.82 19.42 33.35 3 0 1000.00 -999 ? >GLY.B 96 -16.24 21.41 34.89 -15.95 20.89 34.35 -16.10 21.15 34.62 1 0 1000.00 -999 ?