REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-FEB-07 2P06 COMPND HYPOTHETICAL PROTEIN AF_0060; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS DSM 4304; SOURCE 3 ORGANISM_TAXID: 224325; SOURCE 4 STRAIN: DSM 4304, VC-16, JCM 9628, NBRC 100126; SOURCE 5 ATCC: 49558; SOURCE 6 GENE: AF_0060; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21-GOLD(DE3); SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR B.NOCEK,X.XU,Y.KONIYENKO,A.YAKOUNINE,A.SAVCHENKO,A.EDWARDS, AUTHOR 2 A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 14 8 HET MSE A 19 8 HET MSE A 48 8 HET MSE A 75 8 HET MSE B 1 8 HET MSE B 14 8 HET MSE B 19 8 HET MSE B 48 8 HET MSE B 75 8 HET MG A 101 1 HET MG B 101 1 HET GOL A 102 6 SITE 1 AC1 5 GLU A 47 GLU A 50 GLU A 66 ASP A 69 SITE 1 AC2 6 GLU B 47 GLU B 50 GLU B 66 ASP B 69 SITE 1 AC3 3 ARG A 30 HOH A 143 ARG B 5 >MET?A 1 8.59 86.48 -14.29 9.81 82.67 -13.45 9.20 84.58 -13.87 2 0 22.84 -999 ? MG MG A 101 >ASP~A 2 4.00 87.82 -14.82 3.38 86.47 -16.36 3.69 87.14 -15.59 2 0 23.18 -999 ? MG MG B 101 >TYR~A 3 0.82 84.03 -10.44 -0.22 81.95 -8.90 0.30 82.99 -9.67 3 0 15.39 -999 ? MG MG B 101 >PHE~A 4 -0.32 83.97 -15.90 -2.79 85.16 -15.41 -1.55 84.57 -15.66 3 0 21.14 -999 ? MG MG B 101 >ARG~A 5 5.55 83.21 -19.05 3.25 85.11 -19.86 4.40 84.16 -19.46 2 0 26.19 -999 ? MG MG B 101 >LEU~A 6 6.34 82.06 -11.31 7.39 81.46 -9.48 6.87 81.76 -10.40 3 0 18.73 -999 ? MG MG B 101 >ALA~A 7 3.40 78.89 -12.13 1.92 79.36 -12.01 2.66 79.12 -12.07 2 0 18.11 -999 ? MG MG B 101 >GLU~A 8 2.76 78.22 -17.39 2.83 79.37 -19.17 2.80 78.79 -18.28 2 0 25.21 -999 ? MG MG B 101 >LYS~A 9 7.66 76.42 -14.40 12.60 80.07 -15.71 10.13 78.25 -15.05 2 0 22.78 -999 ? MG MG A 101 >PHE~A 10 5.82 75.64 -8.49 5.74 74.70 -5.86 5.78 75.17 -7.17 3 0 13.54 -999 ? MG MG A 101 >LEU~A 11 2.68 73.34 -13.13 1.01 71.99 -13.48 1.85 72.67 -13.30 3 0 17.99 -999 ? MG MG A 101 >ARG~A 12 7.57 73.24 -17.82 8.36 70.80 -19.56 7.96 72.02 -18.69 2 0 21.55 -999 ? MG MG A 101 >GLU~A 13 10.55 72.38 -11.44 12.14 71.03 -11.64 11.34 71.70 -11.54 2 0 14.39 -999 ? MG MG A 101 >MET?A 14 5.72 69.48 -9.40 2.86 72.47 -8.23 4.29 70.97 -8.81 2 0 13.60 -999 ? MG MG A 101 >HIS~A 15 4.11 66.24 -14.44 3.63 64.55 -15.58 3.87 65.39 -15.01 3 0 16.87 -999 ? C1 GOL A 102 >ALA~A 16 8.40 65.76 -12.46 9.65 66.55 -12.89 9.03 66.15 -12.68 2 0 14.17 -999 ? MG MG A 101 >LYS~A 17 8.42 65.18 -8.68 10.18 64.51 -4.06 9.30 64.85 -6.37 2 0 5.37 -999 ? MG MG A 101 >TYR~A 18 2.82 62.96 -10.15 0.98 61.17 -11.29 1.90 62.07 -10.72 3 0 13.90 -999 ? C1 GOL A 102 >MET?A 19 6.59 61.13 -11.74 5.22 61.72 -14.35 5.90 61.42 -13.04 2 0 16.46 -999 ? MG MG A 101 >LYS~A 20 9.54 60.15 -9.61 13.54 64.69 -9.05 11.54 62.42 -9.33 2 0 11.08 -999 ? MG MG A 101 >ARG~A 21 5.03 60.51 -3.74 6.84 61.80 -1.57 5.94 61.16 -2.65 2 0 5.04 -999 ? MG MG A 101 >VAL~A 22 4.81 57.24 -8.63 3.51 58.50 -9.91 4.16 57.87 -9.27 3 0 13.78 -999 ? MG MG A 101 >SER~A 23 7.72 55.36 -10.30 9.85 56.50 -10.00 8.78 55.93 -10.15 2 0 14.17 -999 ? MG MG A 101 >ARG.A 24 9.52 56.13 -4.11 8.09 57.24 -1.62 8.80 56.68 -2.87 2 0 8.50 -999 ? MG MG A 101 >PRO.A 25 9.31 49.31 -7.08 7.53 50.70 -6.94 8.42 50.01 -7.01 3 0 17.26 -999 ? MG MG A 101 >GLY.A 26 3.67 49.97 -5.27 3.85 50.64 -5.67 3.76 50.30 -5.47 1 0 17.47 -999 ? MG MG A 101 >ASN.A 27 3.97 54.87 -5.58 4.68 55.66 -3.72 4.33 55.26 -4.65 2 0 11.69 -999 ? MG MG A 101 >THR.A 28 -0.48 54.88 -6.61 -2.03 56.11 -5.70 -1.26 55.49 -6.16 2 0 11.69 -999 ? C3 GOL A 102 >PRO.A 29 -1.39 55.33 -10.91 -0.50 56.54 -9.23 -0.94 55.94 -10.07 3 0 10.66 -999 ? O3 GOL A 102 >ARG~A 30 -5.88 58.44 -11.33 -8.23 56.53 -11.80 -7.05 57.49 -11.57 2 0 -3.49 -999 ? C3 GOL A 102s >PRO~A 31 -1.10 60.81 -5.24 -2.99 59.60 -5.29 -2.05 60.21 -5.26 3 0 12.15 -999 ? C1 GOL A 102 >TRP~A 32 -6.82 62.92 -8.01 -3.25 62.42 -9.52 -5.04 62.67 -8.76 3 0 8.67 -999 ? O1 GOL A 102 >PHE~A 33 -9.65 58.60 -7.79 -11.98 57.29 -8.57 -10.81 57.94 -8.18 3 0 4.77 -999 ? C1 GOL A 102 >ASP~A 34 -5.80 55.81 -4.70 -5.98 55.04 -6.69 -5.89 55.42 -5.70 2 0 8.06 -999 ? C3 GOL A 102 >PHE~A 35 -3.86 57.85 -0.60 -1.41 56.58 -1.16 -2.63 57.22 -0.88 3 0 14.55 -999 ? MG MG A 101 >SER~A 36 -8.85 58.95 1.98 -7.98 58.16 4.12 -8.41 58.56 3.05 2 0 17.09 -999 ? C3 GOL A 102 >GLU~A 37 -11.19 63.72 2.48 -12.49 62.21 1.75 -11.84 62.96 2.11 2 0 14.80 -999 ? O2 GOL A 102 >GLU~A 38 -9.29 60.81 8.09 -11.04 60.40 6.94 -10.17 60.61 7.52 2 0 19.54 -999 ? O2 GOL A 102 >ARG~A 39 -2.25 57.82 4.67 0.75 57.56 5.38 -0.75 57.69 5.03 2 0 12.23 -999 ? MG MG A 101 >LEU~A 40 -4.99 63.20 1.44 -5.11 62.63 -0.62 -5.05 62.92 0.41 3 0 14.62 -999 ? MG MG A 101 >LEU~A 41 -5.04 65.06 6.59 -6.28 66.70 7.08 -5.66 65.88 6.83 3 0 15.63 -999 ? MG MG B 101 >SER~A 42 -1.59 62.58 7.24 -0.99 60.54 8.26 -1.29 61.56 7.75 2 0 13.35 -999 ? MG MG A 101 >ARG~A 43 1.54 59.75 2.83 4.06 61.35 1.95 2.80 60.55 2.39 2 0 6.58 -999 ? MG MG A 101 >LEU~A 44 -0.55 67.25 3.64 -0.51 69.31 2.98 -0.53 68.28 3.31 3 0 10.60 -999 ? MG MG A 101 >PHE~A 45 -0.09 67.42 9.15 -2.03 69.29 9.88 -1.06 68.35 9.52 3 0 13.72 -999 ? MG MG A 101 >GLU~A 46 3.86 61.92 7.45 3.42 60.06 6.52 3.64 60.99 6.99 2 0 9.47 -999 ? MG MG A 101 >GLU~A 47 4.75 65.22 1.90 6.50 64.12 1.44 5.62 64.67 1.67 2 0 -3.06 -999 ? MG MG A 101s >MET?A 48 5.47 69.64 5.88 1.70 71.67 6.00 3.58 70.66 5.94 2 0 11.01 -999 ? MG MG B 101 >ASP~A 49 7.12 66.88 9.54 5.57 67.22 10.94 6.35 67.05 10.24 2 0 10.66 -999 ? MG MG A 101 >GLU~A 50 9.84 64.68 5.48 9.59 63.34 3.88 9.71 64.01 4.68 2 0 -3.24 -999 ? MG MG A 101s >LEU~A 51 9.05 71.44 4.27 8.66 73.51 3.78 8.86 72.48 4.02 3 0 7.86 -999 ? MG MG A 101 >ARG~A 52 7.36 72.51 10.53 5.94 75.28 10.79 6.65 73.89 10.66 2 0 12.62 -999 ? MG MG B 101 >GLU~A 53 12.67 67.17 9.74 12.16 65.23 8.95 12.42 66.20 9.34 2 0 8.23 -999 ? MG MG A 101 >ALA~A 54 15.24 70.70 5.75 14.66 70.61 4.34 14.95 70.65 5.05 2 0 8.22 -999 ? MG MG A 101 >VAL~A 55 14.96 74.31 6.92 13.42 75.88 6.79 14.19 75.09 6.86 3 0 12.40 -999 ? MG MG A 101 >GLU~A 56 14.49 72.94 11.91 13.21 71.47 12.82 13.85 72.20 12.37 2 0 13.76 -999 ? MG MG A 101 >LYS~A 57 19.37 71.61 8.77 16.62 66.07 9.12 17.99 68.84 8.95 2 0 10.77 -999 ? MG MG A 101 >GLU.A 58 20.75 75.91 8.28 22.27 77.24 8.83 21.51 76.57 8.56 2 0 19.25 -999 ? MG MG A 101 >ASP~A 59 19.24 70.49 3.86 19.81 69.15 2.31 19.52 69.82 3.09 2 0 11.23 -999 ? MG MG A 101 >TRP~A 60 21.00 76.92 2.10 18.20 77.49 4.82 19.60 77.21 3.46 3 0 15.96 -999 ? MG MG A 101 >GLU~A 61 20.67 70.53 -3.65 22.44 69.40 -3.98 21.55 69.97 -3.81 2 0 14.68 -999 ? MG MG A 101 >ASN~A 62 17.07 68.72 0.82 15.64 67.16 1.18 16.36 67.94 1.00 2 0 6.58 -999 ? MG MG A 101 >LEU~A 63 14.90 73.88 0.90 13.42 75.07 2.04 14.16 74.47 1.47 3 0 10.48 -999 ? MG MG A 101 >ARG~A 64 15.01 75.21 -5.99 16.32 73.97 -8.51 15.67 74.59 -7.25 2 0 14.85 -999 ? MG MG A 101 >ASP~A 65 13.30 68.04 -3.31 14.20 67.42 -5.12 13.75 67.73 -4.21 2 0 8.27 -999 ? MG MG A 101 >GLU~A 66 11.79 68.59 1.71 10.57 66.83 1.62 11.18 67.71 1.66 2 0 -2.09 -999 ? MG MG A 101s >LEU~A 67 9.20 73.91 -2.00 9.88 75.57 -0.76 9.54 74.74 -1.38 3 0 9.93 -999 ? MG MG A 101 >LEU~A 68 8.38 69.86 -5.53 9.37 70.89 -7.17 8.88 70.37 -6.35 3 0 9.20 -999 ? MG MG A 101 >ASP~A 69 7.22 66.94 -1.19 8.62 65.57 -2.01 7.92 66.25 -1.60 2 0 -3.33 -999 ? MG MG A 101s >VAL~A 70 4.32 70.05 -0.08 4.70 71.23 1.76 4.51 70.64 0.84 3 0 7.34 -999 ? MG MG A 101 >ALA~A 71 2.71 71.75 -3.10 3.42 72.56 -4.22 3.07 72.15 -3.66 2 0 10.94 -999 ? MG MG A 101 >ASN~A 72 2.65 67.26 -5.09 3.38 67.44 -7.09 3.02 67.35 -6.09 2 0 10.49 -999 ? MG MG A 101 >PHE~A 73 1.28 65.07 -0.58 1.95 62.50 -1.40 1.62 63.79 -0.99 3 0 8.18 -999 ? MG MG A 101 >CYH~A 74 -1.69 70.43 -0.94 -0.29 72.40 0.50 -0.99 71.41 -0.22 2 0 10.55 -999 ? MG MG B 101 >MET?A 75 -3.06 69.89 -4.44 -2.08 70.01 -8.57 -2.57 69.95 -6.51 2 0 15.05 -999 ? O1 GOL A 102 >TYR~A 76 -1.87 64.94 -4.38 0.34 64.55 -6.01 -0.76 64.75 -5.20 3 0 12.00 -999 ? MG MG A 101 >LEU~A 77 -5.33 67.45 0.73 -6.35 67.13 2.63 -5.84 67.29 1.68 3 0 14.58 -999 ? MG MG B 101 >TRP~A 78 -8.24 73.50 -2.86 -9.38 72.84 -6.57 -8.81 73.17 -4.71 3 0 13.78 -999 ? MG MG B 101 >GLY~A 79 -8.63 67.81 -5.14 -8.76 67.74 -4.31 -8.69 67.77 -4.72 1 0 11.82 -999 ? O1 GOL A 102 >LYS~A 80 -10.06 65.22 -2.78 -12.33 61.06 -1.35 -11.20 63.14 -2.06 2 0 11.52 -999 ? O2 GOL A 102 >LEU~A 81 -11.32 68.95 0.11 -10.65 68.52 2.13 -10.99 68.74 1.12 3 0 15.10 -999 ? MG MG B 101 >SER~A 82 -13.20 69.65 -3.97 -11.37 71.16 -4.18 -12.28 70.40 -4.07 2 0 14.54 -999 ? O1 GOL A 102 >VAL~A 83 -15.00 66.55 -5.23 -14.42 64.77 -6.36 -14.71 65.66 -5.80 3 0 9.76 -999 ? O1 GOL A 102 >LEU.B -4 -5.85 50.45 -20.50 -4.90 49.28 -18.87 -5.38 49.87 -19.69 3 0 9.87 -999 ? O3 GOL A 102 >TYR.B -3 -8.66 55.74 -17.04 -9.32 58.35 -16.44 -8.99 57.05 -16.74 3 0 4.37 -999 ? O3 GOL A 102 >PHE.B -2 -3.05 58.38 -20.24 -0.44 59.32 -20.76 -1.74 58.85 -20.50 3 0 12.22 -999 ? C1 GOL A 102 >GLN.B -1 -5.06 55.25 -13.98 -4.47 53.69 -12.66 -4.76 54.47 -13.32 2 0 6.73 -999 ? O3 GOL A 102 >GLY~B 0 -1.49 59.88 -15.41 -2.21 59.99 -15.67 -1.85 59.93 -15.54 1 0 10.24 -999 ? C1 GOL A 102 >MET?B 1 -3.49 62.44 -17.38 -2.00 63.53 -20.08 -2.74 62.98 -18.73 2 0 12.86 -999 ? C1 GOL A 102 >ASP~B 2 -6.28 61.73 -13.40 -7.94 60.71 -14.22 -7.11 61.22 -13.81 2 0 4.33 -999 ? C1 GOL A 102 >TYR~B 3 -0.34 65.32 -12.15 1.29 67.11 -10.73 0.48 66.21 -11.44 3 0 14.22 -999 ? O1 GOL A 102 >PHE~B 4 -1.17 67.26 -16.83 1.61 67.05 -16.91 0.22 67.16 -16.87 3 0 14.93 -999 ? O1 GOL A 102 >ARG~B 5 -10.12 65.25 -15.49 -11.00 62.59 -14.27 -10.56 63.92 -14.88 2 0 -3.49 -999 ? O1 GOL A 102s >LEU~B 6 -5.82 67.25 -10.29 -6.03 67.55 -8.15 -5.93 67.40 -9.22 3 0 10.59 -999 ? O1 GOL A 102 >ALA~B 7 -3.50 70.71 -11.86 -2.10 70.36 -12.43 -2.80 70.53 -12.15 2 0 14.67 -999 ? O1 GOL A 102 >GLU~B 8 -6.74 72.86 -16.70 -8.79 73.28 -16.48 -7.76 73.07 -16.59 2 0 14.55 -999 ? O1 GOL A 102 >LYS~B 9 -8.05 73.50 -11.84 -11.65 68.75 -12.73 -9.85 71.12 -12.28 2 0 9.22 -999 ? O1 GOL A 102 >PHE~B 10 -4.26 73.06 -6.95 -3.14 73.65 -4.49 -3.70 73.35 -5.72 3 0 13.43 -999 ? MG MG B 101 >LEU~B 11 -2.38 75.99 -11.78 -0.59 75.19 -10.75 -1.49 75.59 -11.27 3 0 17.48 -999 ? MG MG B 101 >ARG~B 12 -8.50 77.51 -14.58 -7.50 77.59 -17.46 -8.00 77.55 -16.02 2 0 19.15 -999 ? O1 GOL A 102 >GLU~B 13 -9.30 76.81 -7.75 -10.86 78.02 -7.07 -10.08 77.41 -7.41 2 0 14.56 -999 ? MG MG B 101 >MET?B 14 -3.93 79.36 -6.75 -1.02 76.23 -6.96 -2.48 77.80 -6.86 2 0 13.35 -999 ? MG MG B 101 >HIS~B 15 -3.93 83.50 -11.37 -3.88 85.40 -12.25 -3.91 84.45 -11.81 3 0 17.23 -999 ? MG MG B 101 >ALA~B 16 -7.26 83.46 -8.09 -8.56 82.71 -8.26 -7.91 83.08 -8.17 2 0 14.34 -999 ? MG MG B 101 >LYS~B 17 -6.12 83.32 -4.48 -6.28 82.93 0.65 -6.20 83.13 -1.91 2 0 5.47 -999 ? MG MG B 101 >TYR~B 18 -1.23 86.06 -7.16 0.23 88.00 -8.44 -0.50 87.03 -7.80 3 0 14.48 -999 ? MG MG B 101 >MET?B 19 -5.29 87.93 -7.02 -5.17 87.78 -9.87 -5.23 87.85 -8.44 2 0 16.41 -999 ? MG MG B 101 >LYS~B 20 -7.39 88.34 -3.93 -10.76 83.55 -2.77 -9.07 85.95 -3.35 2 0 10.89 -999 ? MG MG B 101 >ARG~B 21 -2.68 85.78 -0.39 -2.18 85.18 2.60 -2.43 85.48 1.11 2 0 4.86 -999 ? MG MG B 101 >VAL~B 22 -1.93 90.80 -4.09 -1.77 91.16 -6.27 -1.85 90.98 -5.18 3 0 14.26 -999 ? MG MG B 101 >SER~B 23 -4.15 93.86 -3.40 -5.97 92.64 -4.47 -5.06 93.25 -3.93 2 0 15.06 -999 ? MG MG B 101 >ARG.B 24 -6.09 90.76 1.66 -6.99 91.28 4.61 -6.54 91.02 3.14 2 0 10.57 -999 ? MG MG B 101 >PRO.B 25 -3.59 96.72 3.66 -2.15 95.63 2.32 -2.87 96.18 2.99 3 0 15.07 -999 ? MG MG B 101 >GLY.B 26 2.03 94.72 2.74 1.52 94.53 2.14 1.77 94.62 2.44 1 0 14.77 -999 ? MG MG B 101 >ASN.B 27 0.22 91.83 -0.53 -0.29 90.45 1.06 -0.04 91.14 0.27 2 0 10.56 -999 ? MG MG B 101 >THR.B 28 3.56 93.05 -3.58 5.61 92.35 -3.74 4.58 92.70 -3.66 2 0 16.91 -999 ? MG MG B 101 >PRO.B 29 3.13 93.91 -7.88 2.79 92.20 -6.48 2.96 93.06 -7.18 3 0 18.25 -999 ? MG MG B 101 >ARG~B 30 6.75 90.32 -10.88 6.95 90.67 -13.92 6.85 90.49 -12.40 2 0 23.71 -999 ? MG MG B 101 >PRO~B 31 4.52 87.18 -3.85 6.35 88.40 -4.38 5.43 87.79 -4.12 3 0 14.47 -999 ? MG MG B 101 >TRP~B 32 8.64 85.85 -8.85 4.75 86.36 -8.76 6.70 86.10 -8.81 3 0 17.98 -999 ? MG MG B 101 >PHE~B 33 11.79 90.03 -8.60 13.76 91.67 -9.75 12.78 90.85 -9.18 3 0 23.76 -999 ? MG MG B 101 >ASP~B 34 9.10 92.04 -4.08 8.53 92.94 -5.91 8.81 92.49 -4.99 2 0 20.12 -999 ? MG MG B 101 >PHE~B 35 8.53 89.52 0.04 6.21 90.96 0.68 7.37 90.24 0.36 3 0 14.95 -999 ? MG MG B 101 >SER~B 36 14.00 87.88 0.63 13.93 88.22 3.04 13.97 88.05 1.83 2 0 18.97 -999 ? MG MG B 101 >GLU~B 37 16.16 83.15 -0.55 17.16 84.82 -1.40 16.66 83.98 -0.98 2 0 21.31 -999 ? MG MG A 101 >GLU~B 38 16.39 85.01 5.80 17.65 85.50 4.16 17.02 85.26 4.98 2 0 21.68 -999 ? MG MG B 101 >ARG~B 39 8.77 88.39 5.61 6.18 88.34 7.28 7.48 88.36 6.45 2 0 12.25 -999 ? MG MG B 101 >LEU~B 40 9.88 83.74 0.66 9.39 84.86 -1.12 9.63 84.30 -0.23 3 0 14.59 -999 ? MG MG B 101 >LEU~B 41 11.62 81.16 5.14 12.89 79.43 5.05 12.25 80.30 5.10 3 0 15.89 -999 ? MG MG B 101 >SER~B 42 8.62 82.98 7.57 9.19 85.26 7.50 8.90 84.12 7.54 2 0 13.60 -999 ? MG MG B 101 >ARG~B 43 4.40 86.96 4.80 1.74 85.38 4.62 3.07 86.17 4.71 2 0 6.75 -999 ? MG MG B 101 >LEU~B 44 6.41 79.32 3.58 6.12 77.38 2.63 6.26 78.35 3.11 3 0 10.49 -999 ? MG MG B 101 >PHE~B 45 7.94 78.16 8.67 9.92 76.17 8.42 8.93 77.17 8.54 3 0 13.63 -999 ? MG MG B 101 >GLU~B 46 3.73 83.72 9.59 4.09 85.72 8.97 3.91 84.72 9.28 2 0 9.68 -999 ? MG MG B 101 >GLU~B 47 0.87 81.57 4.23 -0.93 82.65 4.53 -0.03 82.11 4.38 2 0 -3.06 -999 ? MG MG B 101s >MET?B 48 1.44 76.37 7.26 5.03 74.60 5.80 3.24 75.48 6.53 2 0 10.94 -999 ? MG MG B 101 >ASP~B 49 1.23 78.44 11.67 3.20 77.88 12.33 2.21 78.16 12.00 2 0 10.47 -999 ? MG MG B 101 >GLU~B 50 -2.89 81.16 9.25 -3.01 82.71 7.85 -2.95 81.93 8.55 2 0 -3.13 -999 ? MG MG B 101s >LEU~B 51 -2.49 74.82 6.63 -3.06 73.19 5.34 -2.78 74.01 5.98 3 0 7.37 -999 ? MG MG B 101 >ARG~B 52 1.17 72.73 11.66 3.07 70.51 10.58 2.12 71.62 11.12 2 0 12.51 -999 ? MG MG A 101 >GLU~B 53 -5.90 77.77 14.00 -5.74 77.07 16.00 -5.82 77.42 15.00 2 0 11.85 -999 ? MG MG B 101 >ALA~B 54 -7.84 74.97 10.31 -7.82 75.27 8.80 -7.83 75.12 9.56 2 0 8.21 -999 ? MG MG B 101 >VAL~B 55 -7.27 71.23 10.66 -5.93 69.75 9.78 -6.60 70.49 10.22 3 0 12.31 -999 ? MG MG B 101 >GLU~B 56 -5.07 71.46 15.45 -3.61 72.64 16.47 -4.34 72.05 15.96 2 0 14.26 -999 ? MG MG B 101 >LYS~B 57 -10.72 73.38 14.29 -9.04 79.51 14.44 -9.88 76.44 14.37 2 0 10.94 -999 ? MG MG B 101 >GLU.B 58 -12.22 69.05 13.44 -13.45 67.58 14.33 -12.83 68.31 13.89 2 0 19.22 -999 ? MG MG B 101 >ASP~B 59 -12.50 75.29 9.80 -13.50 76.74 8.62 -13.00 76.01 9.21 2 0 11.43 -999 ? MG MG B 101 >TRP~B 60 -14.46 69.10 7.88 -10.82 68.23 9.10 -12.64 68.67 8.49 3 0 15.88 -999 ? MG MG B 101 >GLU~B 61 -16.04 76.69 3.62 -17.79 77.73 4.25 -16.92 77.21 3.94 2 0 14.65 -999 ? MG MG B 101 >ASN~B 62 -11.54 77.97 6.41 -11.21 80.09 6.15 -11.38 79.03 6.28 2 0 7.77 -999 ? MG MG B 101 >LEU~B 63 -9.27 72.84 5.15 -7.63 71.44 5.38 -8.45 72.14 5.27 3 0 10.35 -999 ? MG MG B 101 >ARG~B 64 -12.57 72.86 -0.50 -13.37 74.41 -3.06 -12.97 73.64 -1.78 2 0 14.48 -999 ? MG MG B 101 >ASP~B 65 -9.10 79.31 1.57 -10.58 80.06 0.23 -9.84 79.68 0.90 2 0 8.61 -999 ? MG MG B 101 >GLU~B 66 -6.42 77.69 5.78 -6.03 79.78 5.97 -6.23 78.74 5.88 2 0 -2.98 -999 ? MG MG B 101s >LEU~B 67 -4.89 73.50 0.52 -5.21 71.62 1.59 -5.05 72.56 1.05 3 0 9.73 -999 ? MG MG B 101 >LEU~B 68 -5.30 78.14 -2.31 -6.80 77.43 -3.74 -6.05 77.78 -3.03 3 0 9.20 -999 ? MG MG B 101 >ASP~B 69 -2.53 80.28 1.78 -4.07 81.74 1.69 -3.30 81.01 1.73 2 0 -3.49 -999 ? MG MG B 101s >VAL~B 70 0.51 77.09 1.35 0.82 75.60 2.94 0.67 76.35 2.15 3 0 7.17 -999 ? MG MG B 101 >ALA~B 71 0.92 76.00 -2.29 -0.18 75.43 -3.22 0.37 75.72 -2.76 2 0 10.75 -999 ? MG MG B 101 >ASN~B 72 0.39 80.78 -3.27 -0.95 81.01 -4.91 -0.28 80.89 -4.09 2 0 10.38 -999 ? MG MG B 101 >PHE~B 73 3.28 82.09 0.80 2.39 84.73 0.80 2.83 83.41 0.80 3 0 8.04 -999 ? MG MG B 101 >CYH~B 74 5.85 77.04 -1.62 4.93 74.82 -0.22 5.39 75.93 -0.92 2 0 10.73 -999 ? MG MG A 101 >MET?B 75 5.78 78.35 -5.17 3.37 79.23 -8.52 4.57 78.79 -6.85 2 0 15.45 -999 ? MG MG B 101 >TYR~B 76 4.91 83.18 -3.72 2.27 83.76 -4.33 3.59 83.47 -4.03 3 0 11.84 -999 ? MG MG B 101 >LEU~B 77 9.92 79.84 -0.90 11.53 79.79 0.51 10.72 79.82 -0.20 3 0 14.79 -999 ? MG MG A 101 >TRP~B 78 11.08 74.80 -6.34 10.79 76.18 -10.01 10.94 75.49 -8.18 3 0 14.05 -999 ? MG MG A 101 >GLY~B 79 10.83 80.67 -7.47 11.25 80.63 -6.76 11.04 80.65 -7.12 1 0 17.84 -999 ? MG MG A 101 >LYS~B 80 13.16 82.84 -5.41 16.18 86.24 -4.03 14.67 84.54 -4.72 2 0 22.36 -999 ? MG MG B 101 >LEU~B 81 15.06 78.65 -3.95 15.29 78.49 -1.79 15.18 78.57 -2.87 3 0 15.17 -999 ? MG MG A 101 >SER~B 82 15.40 78.73 -8.48 13.77 77.05 -7.98 14.58 77.89 -8.23 2 0 15.66 -999 ? MG MG A 101 >VAL~B 83 16.27 81.91 -10.46 14.67 83.33 -10.07 15.47 82.62 -10.26 3 0 21.77 -999 ? MG MG A 101