REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-MAR-06 2GF4 COMPND PROTEIN VNG1086C; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SP.; SOURCE 3 ORGANISM_TAXID: 64091; SOURCE 4 STRAIN: NRC-1; SOURCE 5 GENE: VNG1086C; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: XL10; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR J.BENACH,W.ZHOU,S.JAYARAMAN,F.F.FOROUHAR,H.JANJUA,R.XIAO,L.-C.MA, AUTHOR 2 K.CUNNINGHAM,D.WANG,T.B.ACTON,G.T.MONTELIONE,L.TONG,J.F.HUNT, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 1 8 HET MSE A 13 8 HET MSE A 66 8 HET MSE A 81 8 HET MSE B 1 8 HET MSE B 13 8 HET MSE B 66 8 HET CA B 201 1 HET CA A 202 1 HET ACT B 801 4 HET ACT B 802 4 SITE 1 AC1 6 GLU A 40 ASP B 38 GLU B 40 HOH B 804 SITE 1 AC2 6 ASP A 38 GLU A 40 HOH A 204 HOH A 205 SITE 1 AC3 1 GLN B 19 >MET?A 1 18.02 39.69 46.98 17.47 37.20 50.42 17.74 38.45 48.70 2 0 21.02 -999 ? CA CA A 202 >HIS~A 2 22.09 39.77 43.94 22.07 41.64 42.98 22.08 40.70 43.46 3 0 23.51 -999 ? OXT ACT B 801 >LYS~A 3 20.81 34.16 44.49 19.85 28.53 41.75 20.33 31.35 43.12 2 0 15.08 -999 ? OXT ACT B 801 >ASP~A 4 25.57 34.71 45.51 26.38 33.70 43.83 25.97 34.20 44.67 2 0 21.72 -999 ? CA CA A 202 >GLU~A 5 23.31 38.61 48.39 22.38 40.48 47.97 22.85 39.54 48.18 2 0 25.21 -999 ? CA CA A 202 >LEU~A 6 18.94 33.56 48.46 16.91 32.94 48.78 17.92 33.25 48.62 3 0 17.51 -999 ? CA CA A 202 >LEU~A 7 23.29 30.26 48.25 22.61 29.09 46.50 22.95 29.67 47.37 3 0 15.61 -999 ? CA CA A 202 >GLU~A 8 26.55 33.36 50.86 27.60 35.12 50.29 27.08 34.24 50.58 2 0 21.63 -999 ? CA CA A 202 >LEU~A 9 20.27 33.94 53.67 18.93 35.01 54.97 19.60 34.47 54.32 3 0 18.30 -999 ? CA CA A 202 >HIS~A 10 19.28 27.48 52.70 18.40 25.59 52.72 18.84 26.53 52.71 3 0 10.31 -999 ? CA CA A 202 >GLU~A 11 26.25 27.59 54.14 27.19 27.48 52.23 26.72 27.53 53.19 2 0 14.95 -999 ? CA CA A 202 >GLN~A 12 25.41 32.42 57.56 27.07 31.52 58.54 26.24 31.97 58.05 2 0 18.84 -999 ? CA CA A 202 >MET?A 13 20.31 29.45 59.00 18.21 31.70 60.21 19.26 30.58 59.60 2 0 16.90 -999 ? CA CA A 202 >VAL~A 14 21.47 25.85 58.80 21.59 24.34 57.33 21.53 25.09 58.06 3 0 10.88 -999 ? CA CA A 202 >ASN~A 15 25.38 27.93 60.94 26.84 27.34 59.51 26.11 27.64 60.22 2 0 15.90 -999 ? CA CA A 202 >ILE~A 16 20.54 29.28 63.14 20.61 30.36 64.14 20.58 29.82 63.64 3 0 17.36 -999 ? CA CA A 202 >LYS~A 17 19.68 24.92 63.26 19.27 20.80 60.44 19.47 22.86 61.85 2 0 8.75 -999 ? CA CA A 202 >ASP~A 18 23.94 22.65 63.18 23.40 21.50 61.45 23.67 22.07 62.32 2 0 11.52 -999 ? CA CA A 202 >GLN~A 19 24.07 27.47 67.98 24.05 29.58 67.89 24.06 28.52 67.93 2 0 20.91 -999 ? CA CA A 202 >PHE~A 20 17.45 24.86 68.27 15.02 24.17 69.44 16.24 24.51 68.86 3 0 17.69 -999 ? CA CA A 202 >LEU~A 21 20.08 20.23 66.75 18.34 19.83 65.53 19.21 20.03 66.14 3 0 13.60 -999 ? CA CA A 202 >GLY~A 22 23.21 21.10 70.07 22.50 21.48 70.30 22.85 21.29 70.18 1 0 18.52 -999 ? CA CA A 202 >PHE.A 23 21.09 25.12 72.44 22.15 27.43 71.35 21.62 26.28 71.89 3 0 21.62 -999 ? CA CA A 202 >ASP.A 24 20.63 21.72 77.63 20.78 20.24 79.08 20.70 20.98 78.36 2 0 26.42 -999 ? CA CA A 202 >HIS.A 25 16.66 18.79 78.66 17.26 17.28 79.97 16.96 18.03 79.31 3 0 26.12 -999 ? CA CA B 201 >VAL.A 26 15.69 20.96 73.03 17.46 21.74 72.14 16.58 21.35 72.59 3 0 20.04 -999 ? CA CA A 202 >ASP.A 27 11.73 20.36 70.40 10.57 19.24 69.08 11.15 19.80 69.74 2 0 17.47 -999 ? CA CA A 202 >GLU.A 28 14.93 15.17 68.81 13.76 15.16 70.59 14.34 15.17 69.70 2 0 17.79 -999 ? CA CA A 202 >THR.A 29 12.00 17.38 65.85 10.47 16.33 66.97 11.24 16.86 66.41 2 0 15.36 -999 ? CA CA A 202 >ALA.A 30 11.63 21.17 65.56 12.37 22.17 66.35 12.00 21.67 65.96 2 0 15.19 -999 ? CA CA A 202 >PHE~A 31 14.69 22.82 62.54 15.61 24.88 64.09 15.15 23.85 63.32 3 0 12.77 -999 ? CA CA A 202 >ALA~A 32 10.77 18.52 60.60 9.90 17.61 61.30 10.34 18.07 60.95 2 0 11.01 -999 ? CA CA A 202 >ALA~A 33 8.98 20.65 58.05 8.13 21.77 58.29 8.56 21.21 58.17 2 0 11.76 -999 ? CA CA A 202 >TYR~A 34 14.67 22.85 56.72 17.08 23.07 55.48 15.88 22.96 56.10 3 0 7.34 -999 ? CA CA A 202 >GLU~A 35 14.74 18.03 58.46 16.79 18.12 57.91 15.77 18.08 58.19 2 0 5.06 -999 ? CA CA A 202 >GLU~A 36 8.53 16.97 55.87 6.50 17.32 56.35 7.51 17.14 56.11 2 0 11.24 -999 ? CA CA A 202 >LEU~A 37 11.49 21.64 52.06 11.55 23.23 50.62 11.52 22.44 51.34 3 0 8.55 -999 ? CA CA A 202 >ASP~A 38 14.49 17.18 50.40 16.42 16.29 49.93 15.46 16.73 50.16 2 0 -3.36 -999 ? CA CA A 202s >VAL.A 39 16.13 21.81 49.87 15.21 23.34 48.72 15.67 22.57 49.30 3 0 7.50 -999 ? CA CA A 202 >GLU.A 40 19.19 19.98 52.16 20.07 18.13 52.69 19.63 19.06 52.42 2 0 3.38 -999 ? CA CA A 202s >PRO.A 41 22.25 24.89 53.37 21.86 24.41 51.30 22.05 24.65 52.34 3 0 9.62 -999 ? CA CA A 202 >SER.A 42 24.49 22.68 48.88 24.08 20.35 49.41 24.28 21.51 49.14 2 0 8.78 -999 ? CA CA A 202 >HIS.A 43 20.15 20.72 47.43 19.82 19.00 48.57 19.99 19.86 48.00 3 0 6.83 -999 ? CA CA A 202 >VAL.A 44 23.02 25.42 44.46 25.16 25.32 44.53 24.09 25.37 44.49 3 0 14.27 -999 ? CA CA A 202 >HIS.A 45 22.98 23.53 40.00 25.00 23.74 39.51 23.99 23.64 39.76 3 0 16.70 -999 ? CA CA A 202 >LYS.A 46 17.72 24.61 42.81 16.30 19.73 46.29 17.01 22.17 44.55 2 0 7.73 -999 ? CA CA A 202 >SER~A 47 15.53 27.71 42.41 13.14 27.33 42.95 14.33 27.52 42.68 2 0 10.78 -999 ? OXT ACT B 801 >LYS~A 48 15.60 31.02 44.27 16.30 36.87 43.73 15.95 33.95 44.00 2 0 17.72 -999 ? OXT ACT B 801 >SER~A 49 12.01 30.11 45.26 9.74 29.35 44.91 10.88 29.73 45.08 2 0 11.81 -999 ? OXT ACT B 801 >GLU~A 50 12.68 24.99 44.98 13.54 23.53 43.68 13.11 24.26 44.33 2 0 11.43 -999 ? OXT ACT B 801 >HIS~A 51 17.98 27.94 47.81 19.27 26.33 47.47 18.62 27.14 47.64 3 0 12.20 -999 ? CA CA A 202 >LYS~A 52 13.41 31.22 50.01 11.37 34.80 45.78 12.39 33.01 47.90 2 0 15.73 -999 ? OXT ACT B 801 >HIS~A 53 9.33 26.57 50.59 7.78 25.45 51.45 8.56 26.01 51.02 3 0 13.16 -999 ? CA CA A 202 >ALA~A 54 13.75 26.68 52.93 15.03 26.06 52.36 14.39 26.37 52.65 2 0 9.99 -999 ? CA CA A 202 >VAL~A 55 14.77 29.84 54.78 16.15 31.42 54.50 15.46 30.63 54.64 3 0 14.45 -999 ? CA CA A 202 >PHE~A 56 8.62 30.56 55.11 6.08 30.87 56.13 7.35 30.72 55.62 3 0 17.60 -999 ? CA CA A 202 >LEU~A 57 10.84 25.68 56.37 9.13 24.78 55.43 9.98 25.23 55.90 3 0 11.78 -999 ? CA CA A 202 >LEU~A 58 15.30 27.73 58.64 16.62 26.16 58.05 15.96 26.94 58.35 3 0 11.84 -999 ? CA CA A 202 >GLY~A 59 12.94 30.92 60.55 12.49 30.19 60.50 12.71 30.55 60.52 1 0 16.87 -999 ? CA CA A 202 >ASN~A 60 8.60 29.15 60.20 6.72 29.87 60.34 7.66 29.51 60.27 2 0 18.55 -999 ? CA CA A 202 >ALA~A 61 10.62 26.67 62.98 11.31 25.55 62.37 10.96 26.11 62.68 2 0 14.28 -999 ? CA CA A 202 >LEU~A 62 14.17 29.40 64.74 16.01 29.69 65.74 15.09 29.54 65.24 3 0 17.99 -999 ? CA CA A 202 >ALA~A 63 10.26 30.81 66.29 9.58 31.78 65.43 9.92 31.30 65.86 2 0 21.13 -999 ? CA CA A 202 >ALA~A 64 7.86 27.93 66.93 7.41 26.91 65.95 7.64 27.42 66.44 2 0 19.01 -999 ? CA CA B 201 >ALA~A 65 10.49 26.24 69.12 11.82 25.79 68.69 11.15 26.01 68.90 2 0 18.94 -999 ? CA CA A 202 >MET?A 66 10.87 29.43 71.21 14.10 30.36 71.25 12.49 29.89 71.23 2 0 23.07 -999 ? CA CA A 202 >SER~A 67 7.12 29.60 71.54 4.89 29.99 70.85 6.01 29.80 71.20 2 0 18.51 -999 ? CA CA B 201 >GLU~A 68 6.28 24.34 70.76 4.27 24.24 71.35 5.28 24.29 71.06 2 0 14.30 -999 ? CA CA B 201 >ASP~A 69 11.02 26.78 74.77 12.23 26.87 76.45 11.62 26.83 75.61 2 0 23.19 -999 ? CA CA B 201 >GLU~A 70 7.07 31.83 76.89 8.40 32.80 78.24 7.74 32.31 77.57 2 0 24.16 -999 ? CA CA B 201 >PHE~A 71 2.73 28.74 74.75 1.20 30.86 73.64 1.96 29.80 74.19 3 0 16.87 -999 ? CA CA B 201 >SER~A 72 5.94 24.99 78.50 7.74 23.37 78.35 6.84 24.18 78.43 2 0 18.54 -999 ? CA CA B 201 >SER~A 73 7.90 26.85 81.17 9.44 28.34 79.99 8.67 27.59 80.58 2 0 22.81 -999 ? CA CA B 201 >ALA~A 74 6.26 30.16 81.94 6.49 31.41 81.30 6.38 30.78 81.62 2 0 23.17 -999 ? CA CA B 201 >GLY~A 75 2.98 28.86 80.60 3.46 28.58 81.25 3.22 28.72 80.93 1 0 19.13 -999 ? CA CA B 201 >ARG~A 76 4.46 22.84 83.40 3.22 20.31 82.22 3.84 21.57 82.81 2 0 16.28 -999 ? CA CA B 201 >ILE~A 77 4.62 29.86 86.20 5.16 29.49 87.45 4.89 29.67 86.83 3 0 24.34 -999 ? CA CA B 201 >SER~A 78 0.59 30.86 84.57 0.46 32.77 83.16 0.52 31.82 83.87 2 0 22.09 -999 ? CA CA B 201 >LYS~A 79 -1.65 27.80 84.43 -2.82 22.46 85.13 -2.23 25.13 84.78 2 0 16.33 -999 ? CA CA B 201 >ARG~A 80 1.65 24.64 89.61 4.49 24.81 90.71 3.07 24.72 90.16 2 0 24.83 -999 ? CA CA B 201 >MET?A 81 -1.42 30.57 89.21 -0.38 33.35 91.05 -0.90 31.96 90.13 2 0 27.43 -999 ? CA CA B 201 >GLU~A 82 -6.39 30.15 85.63 -6.65 30.56 83.58 -6.52 30.35 84.61 2 0 19.14 -999 ? CA CA B 201 >GLU~A 83 -4.99 25.05 87.76 -3.42 23.71 87.32 -4.20 24.38 87.54 2 0 18.60 -999 ? CA CA B 201 >LEU~A 84 -3.25 29.02 92.98 -2.55 29.16 95.01 -2.90 29.09 94.00 3 0 26.90 -999 ? CA CA B 201 >ALA~A 85 -6.86 31.64 92.16 -6.77 32.64 91.11 -6.81 32.14 91.63 2 0 26.05 -999 ? CA CA B 201 >ASP~A 86 -9.65 28.18 90.30 -9.88 28.72 88.34 -9.77 28.45 89.32 2 0 21.59 -999 ? CA CA B 201 >ASP~A 87 -7.78 26.60 94.58 -7.92 24.72 93.60 -7.85 25.66 94.09 2 0 24.31 -999 ? CA CA B 201 >ALA~A 88 -9.11 30.58 96.15 -8.06 31.49 96.50 -8.58 31.03 96.33 2 0 29.84 -999 ? CA CA B 201 >SER.A 89 -12.69 31.22 95.22 -13.60 30.36 93.26 -13.14 30.79 94.24 2 0 27.14 -999 ? CA CA B 201 >MET?B 1 -8.44 39.73 77.01 -8.22 37.11 73.63 -8.33 38.42 75.32 2 0 20.28 -999 ? CH3 ACT B 802 >HIS~B 2 -12.31 39.90 79.94 -12.15 41.88 80.62 -12.23 40.89 80.28 3 0 26.00 -999 ? CH3 ACT B 802 >LYS~B 3 -11.18 34.10 79.40 -10.41 28.56 82.35 -10.80 31.33 80.88 2 0 17.03 -999 ? CA CA B 201 >ASP~B 4 -15.90 34.72 78.46 -16.76 33.64 80.09 -16.33 34.18 79.27 2 0 21.62 -999 ? CA CA B 201 >GLU~B 5 -13.74 38.60 75.53 -12.83 40.48 75.93 -13.28 39.54 75.73 2 0 21.97 -999 ? CH3 ACT B 802 >LEU~B 6 -9.33 33.64 75.45 -7.31 32.96 75.30 -8.32 33.30 75.37 3 0 17.55 -999 ? CA CA B 201 >LEU~B 7 -13.53 30.11 75.67 -12.84 28.99 77.40 -13.19 29.55 76.53 3 0 15.40 -999 ? CA CA B 201 >GLU~B 8 -16.78 33.39 73.09 -17.99 35.10 73.27 -17.39 34.24 73.18 2 0 16.54 -999 ? CH3 ACT B 802 >LEU~B 9 -10.60 33.94 70.21 -9.31 35.02 68.93 -9.96 34.48 69.57 3 0 15.27 -999 ? CH3 ACT B 802 >HIS~B 10 -9.62 27.46 71.20 -8.83 25.53 71.16 -9.22 26.49 71.18 3 0 10.24 -999 ? CA CA B 201 >GLU~B 11 -16.70 27.94 69.16 -17.07 25.96 69.86 -16.88 26.95 69.51 2 0 12.56 -999 ? CH3 ACT B 802 >GLN~B 12 -15.71 32.44 66.39 -17.33 31.46 65.41 -16.52 31.95 65.90 2 0 7.97 -999 ? CH3 ACT B 802 >MET?B 13 -10.61 29.46 64.94 -8.49 31.70 63.76 -9.55 30.58 64.35 2 0 11.62 -999 ? CH3 ACT B 802 >VAL~B 14 -11.76 25.84 65.17 -11.92 24.28 66.62 -11.84 25.06 65.89 3 0 10.79 -999 ? CA CA B 201 >ASN~B 15 -15.63 27.98 63.03 -17.12 27.37 64.41 -16.37 27.68 63.72 2 0 6.97 -999 ? CH3 ACT B 802 >ILE~B 16 -10.81 29.29 60.89 -11.01 30.30 59.96 -10.91 29.79 60.42 3 0 7.74 -999 ? CH3 ACT B 802 >LYS~B 17 -9.98 24.92 60.71 -9.24 20.80 63.54 -9.61 22.86 62.13 2 0 8.61 -999 ? CA CA B 201 >ASP~B 18 -14.19 22.62 60.80 -13.56 21.49 62.54 -13.88 22.05 61.67 2 0 9.64 -999 ? OXT ACT B 802 >GLN~B 19 -14.34 27.46 55.84 -14.40 29.60 55.97 -14.37 28.53 55.90 2 0 -3.87 -999 ? C ACT B 802s >PHE~B 20 -7.70 24.90 55.69 -5.26 24.19 54.58 -6.48 24.54 55.14 3 0 11.74 -999 ? OXT ACT B 802 >LEU~B 21 -10.34 20.33 57.22 -8.69 19.85 58.46 -9.52 20.09 57.84 3 0 11.20 -999 ? OXT ACT B 802 >GLY~B 22 -13.40 21.13 53.86 -12.71 21.54 53.62 -13.06 21.34 53.74 1 0 8.09 -999 ? OXT ACT B 802 >PHE.B 23 -11.47 25.16 51.60 -12.77 27.41 52.70 -12.12 26.28 52.15 3 0 7.12 -999 ? OXT ACT B 802 >ASP.B 24 -10.90 21.62 46.30 -10.75 20.16 44.81 -10.82 20.89 45.55 2 0 15.33 -999 ? OXT ACT B 802 >HIS.B 25 -6.96 18.75 45.30 -7.92 17.57 43.86 -7.44 18.16 44.58 3 0 17.04 -999 ? CH3 ACT B 801 >VAL.B 26 -5.82 21.03 51.01 -7.71 21.65 51.92 -6.77 21.34 51.46 3 0 13.51 -999 ? OXT ACT B 802 >ASP.B 27 -1.83 20.43 53.73 -0.68 19.31 55.10 -1.25 19.87 54.42 2 0 17.39 -999 ? CA CA B 201 >GLU.B 28 -4.88 15.15 55.19 -3.87 15.18 53.31 -4.37 15.16 54.25 2 0 17.90 -999 ? CA CA B 201 >THR.B 29 -2.22 17.51 58.24 -0.75 16.42 57.04 -1.48 16.97 57.64 2 0 15.37 -999 ? CA CA B 201 >ALA.B 30 -1.80 21.27 58.53 -2.55 22.27 57.73 -2.18 21.77 58.13 2 0 15.19 -999 ? CA CA B 201 >PHE~B 31 -4.97 22.83 61.54 -5.76 25.03 60.15 -5.36 23.93 60.85 3 0 12.67 -999 ? CA CA B 201 >ALA~B 32 -1.09 18.56 63.53 -0.24 17.60 62.85 -0.66 18.08 63.19 2 0 10.92 -999 ? CA CA B 201 >ALA~B 33 0.71 20.60 66.10 1.61 21.70 65.89 1.16 21.15 65.99 2 0 11.75 -999 ? CA CA B 201 >TYR~B 34 -4.97 22.79 67.30 -7.41 23.00 68.45 -6.19 22.90 67.88 3 0 7.28 -999 ? CA CA B 201 >GLU~B 35 -5.01 17.82 65.60 -7.08 17.81 66.03 -6.04 17.82 65.82 2 0 4.98 -999 ? CA CA B 201 >GLU~B 36 1.18 16.63 68.50 3.14 16.97 67.89 2.16 16.80 68.20 2 0 11.20 -999 ? CA CA B 201 >LEU~B 37 -1.88 21.62 71.94 -1.91 23.21 73.38 -1.90 22.42 72.66 3 0 8.56 -999 ? CA CA B 201 >ASP~B 38 -4.95 17.23 73.65 -6.90 16.31 73.97 -5.92 16.77 73.81 2 0 -3.30 -999 ? CA CA B 201s >VAL.B 39 -6.55 21.84 74.11 -5.68 23.30 75.35 -6.11 22.57 74.73 3 0 7.51 -999 ? CA CA B 201 >GLU.B 40 -9.63 20.01 71.75 -10.53 18.20 71.23 -10.08 19.11 71.49 2 0 3.43 -999 ? CA CA B 201s >PRO.B 41 -12.56 24.95 70.50 -12.25 24.40 72.56 -12.40 24.68 71.53 3 0 9.58 -999 ? CA CA B 201 >SER.B 42 -14.88 22.70 74.95 -14.62 20.32 74.49 -14.75 21.51 74.72 2 0 8.82 -999 ? CA CA B 201 >HIS.B 43 -10.59 20.73 76.53 -10.28 19.02 75.37 -10.44 19.88 75.95 3 0 6.84 -999 ? CA CA B 201 >VAL.B 44 -13.47 25.43 79.50 -15.56 25.30 79.50 -14.51 25.37 79.50 3 0 14.28 -999 ? CA CA B 201 >HIS.B 45 -13.51 23.76 84.04 -15.48 24.29 84.50 -14.49 24.03 84.27 3 0 16.95 -999 ? CA CA B 201 >LYS.B 46 -8.20 24.59 81.13 -6.93 19.58 77.81 -7.57 22.09 79.47 2 0 7.77 -999 ? CA CA B 201 >SER~B 47 -5.98 27.66 81.59 -3.55 27.32 80.93 -4.76 27.49 81.26 2 0 15.49 -999 ? CA CA B 201 >LYS~B 48 -6.08 30.98 79.72 -6.69 36.84 80.65 -6.39 33.91 80.19 2 0 22.74 -999 ? CA CA B 201 >SER~B 49 -2.45 30.10 78.86 -0.23 29.26 79.33 -1.34 29.68 79.10 2 0 17.16 -999 ? CA CA B 201 >GLU~B 50 -3.14 24.90 79.07 -4.11 23.58 80.41 -3.63 24.24 79.74 2 0 12.54 -999 ? CA CA B 201 >HIS~B 51 -8.32 27.87 76.15 -9.65 26.27 76.41 -8.99 27.07 76.28 3 0 12.10 -999 ? CA CA B 201 >LYS~B 52 -3.85 31.32 74.04 -1.50 34.25 78.56 -2.68 32.78 76.30 2 0 20.44 -999 ? CA CA B 201 >HIS~B 53 0.46 27.04 73.26 2.14 26.33 72.22 1.30 26.69 72.74 3 0 13.80 -999 ? CA CA B 201 >ALA~B 54 -4.07 26.74 71.12 -5.32 26.04 71.64 -4.69 26.39 71.38 2 0 9.98 -999 ? CA CA B 201 >VAL~B 55 -5.14 29.92 69.29 -6.52 31.49 69.52 -5.83 30.71 69.40 3 0 14.50 -999 ? CA CA B 201 >PHE~B 56 1.08 30.45 68.86 3.64 30.39 67.74 2.36 30.42 68.30 3 0 17.42 -999 ? CA CA B 201 >LEU~B 57 -1.07 25.73 67.74 0.62 24.81 68.68 -0.23 25.27 68.21 3 0 11.87 -999 ? CA CA B 201 >LEU~B 58 -5.66 27.68 65.34 -6.87 26.06 66.03 -6.27 26.87 65.68 3 0 11.74 -999 ? CA CA B 201 >GLY~B 59 -3.24 30.93 63.51 -2.79 30.21 63.56 -3.02 30.57 63.53 1 0 16.07 -999 ? CH3 ACT B 802 >ASN~B 60 1.10 29.32 63.94 3.07 29.39 63.42 2.08 29.35 63.68 2 0 18.39 -999 ? CA CA B 201 >ALA~B 61 -0.95 26.60 61.17 -1.77 25.53 61.77 -1.36 26.06 61.47 2 0 14.12 -999 ? CA CA B 201 >LEU~B 62 -4.37 29.35 59.20 -6.22 29.77 58.30 -5.30 29.56 58.75 3 0 12.89 -999 ? OXT ACT B 802 >ALA~B 63 -0.49 30.91 57.78 0.13 31.85 58.64 -0.18 31.38 58.21 2 0 18.50 -999 ? CH3 ACT B 802 >ALA~B 64 1.92 28.01 57.26 2.24 26.93 58.24 2.08 27.47 57.75 2 0 19.03 -999 ? CA CA A 202 >ALA~B 65 -0.60 26.31 54.99 -1.88 25.72 55.43 -1.24 26.02 55.21 2 0 16.03 -999 ? OXT ACT B 802 >MET?B 66 -1.10 29.51 52.93 -4.37 30.37 52.64 -2.73 29.94 52.78 2 0 14.20 -999 ? OXT ACT B 802 >SER~B 67 2.68 29.83 52.62 3.84 31.35 54.03 3.26 30.59 53.32 2 0 20.12 -999 ? CA CA A 202 >GLU~B 68 3.52 24.40 53.24 5.54 24.28 52.66 4.53 24.34 52.95 2 0 14.14 -999 ? CA CA A 202 >ASP~B 69 -0.95 26.94 49.29 -2.15 27.04 47.60 -1.55 26.99 48.45 2 0 15.19 -999 ? CH3 ACT B 801 >GLU~B 70 2.91 32.18 47.37 1.68 33.21 45.95 2.29 32.69 46.66 2 0 15.15 -999 ? CH3 ACT B 801 >PHE~B 71 7.21 29.24 49.58 8.41 31.42 50.73 7.81 30.33 50.16 3 0 16.66 -999 ? CH3 ACT B 801 >SER~B 72 4.20 25.43 45.78 2.18 24.15 45.83 3.19 24.79 45.81 2 0 11.29 -999 ? CH3 ACT B 801 >SER~B 73 2.10 27.36 43.24 -0.07 27.79 43.89 1.01 27.57 43.56 2 0 11.38 -999 ? CH3 ACT B 801 >ALA~B 74 5.44 29.00 42.38 6.07 29.96 43.23 5.76 29.48 42.81 2 0 10.38 -999 ? OXT ACT B 801 >GLY.B 75 6.69 25.77 40.85 5.83 25.81 40.83 6.26 25.79 40.84 1 0 6.25 -999 ? CH3 ACT B 801