REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-APR-07 2YWA COMPND HYPOTHETICAL PROTEIN TTHA0048; COMPND 3 CHAIN: A, B, C, D; COMPND 4 SYNONYM: UNCHARACTERIZED CONSERVED PROTEIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 300852; SOURCE 4 STRAIN: HB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET-11A AUTHOR Y.KITAMURA,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET MSE A 78 8 HET MSE B 78 8 HET MSE C 78 8 HET MSE D 78 8 >ALA.A 2 60.05 -22.19 19.40 60.26 -20.86 20.12 60.15 -21.52 19.76 2 0 1000.00 -999 ? >SER~A 3 56.85 -23.21 17.54 55.36 -24.70 16.42 56.11 -23.96 16.98 2 0 1000.00 -999 ? >LEU~A 4 53.00 -20.28 17.98 51.51 -19.19 19.11 52.26 -19.74 18.54 3 0 1000.00 -999 ? >ALA~A 5 51.51 -24.16 16.58 51.73 -24.52 15.14 51.62 -24.34 15.86 2 0 1000.00 -999 ? >ARG~A 6 54.36 -29.58 19.58 53.98 -32.15 21.21 54.17 -30.87 20.40 2 0 1000.00 -999 ? >ALA~A 7 52.71 -25.14 22.01 53.15 -23.74 22.38 52.93 -24.44 22.19 2 0 1000.00 -999 ? >VAL~A 8 49.02 -24.94 21.26 47.79 -23.62 20.10 48.41 -24.28 20.68 3 0 1000.00 -999 ? >GLU~A 9 49.99 -30.79 19.41 51.21 -31.61 17.86 50.60 -31.20 18.64 2 0 1000.00 -999 ? >ARG~A 10 54.31 -29.10 24.20 56.03 -28.82 26.71 55.17 -28.96 25.46 2 0 1000.00 -999 ? >LEU~A 11 47.67 -25.71 25.48 46.47 -24.38 26.72 47.07 -25.04 26.10 3 0 1000.00 -999 ? >LYS~A 12 44.94 -28.66 23.74 43.25 -31.45 19.49 44.10 -30.06 21.61 2 0 1000.00 -999 ? >ALA~A 13 46.32 -32.09 24.60 47.78 -32.45 24.47 47.05 -32.27 24.53 2 0 1000.00 -999 ? >ALA~A 14 46.18 -31.58 28.35 47.10 -30.66 29.15 46.64 -31.12 28.75 2 0 1000.00 -999 ? >LEU~A 15 42.57 -28.58 27.35 42.83 -26.74 28.45 42.70 -27.66 27.90 3 0 1000.00 -999 ? >GLU~A 16 41.15 -32.29 23.99 41.24 -32.90 21.94 41.20 -32.60 22.96 2 0 1000.00 -999 ? >ARG~A 17 45.53 -37.00 29.11 43.28 -38.46 27.64 44.41 -37.73 28.38 2 0 1000.00 -999 ? >PRO.A 18 40.76 -38.39 31.81 40.39 -36.24 31.48 40.57 -37.32 31.64 3 0 1000.00 -999 ? >LYS.A 19 40.69 -33.75 34.78 38.74 -30.21 38.47 39.72 -31.98 36.63 2 0 1000.00 -999 ? >ASP~A 20 43.20 -35.90 37.96 44.94 -35.99 36.77 44.07 -35.94 37.37 2 0 1000.00 -999 ? >GLU~A 21 45.98 -33.71 41.94 46.25 -33.70 44.05 46.12 -33.71 42.99 2 0 1000.00 -999 ? >PHE~A 22 48.85 -35.51 39.11 49.38 -36.37 41.72 49.12 -35.94 40.41 3 0 1000.00 -999 ? >ILE~A 23 45.29 -33.56 33.75 45.93 -34.17 32.60 45.61 -33.86 33.18 3 0 1000.00 -999 ? >ARG~A 24 43.61 -27.92 39.10 44.66 -28.49 41.92 44.13 -28.21 40.51 2 0 1000.00 -999 ? >ASP~A 25 49.31 -28.68 38.10 48.40 -28.27 39.98 48.85 -28.48 39.04 2 0 1000.00 -999 ? >SER~A 26 50.13 -29.45 33.76 48.94 -31.37 32.90 49.53 -30.41 33.33 2 0 1000.00 -999 ? >ALA~A 27 47.44 -27.57 31.81 45.94 -27.70 32.01 46.69 -27.63 31.91 2 0 1000.00 -999 ? >ILE~A 28 48.12 -24.28 35.24 47.75 -23.69 36.46 47.94 -23.99 35.85 3 0 1000.00 -999 ? >GLN~A 29 54.04 -26.17 33.86 55.19 -24.99 32.54 54.61 -25.58 33.20 2 0 1000.00 -999 ? >ARG~A 30 50.78 -29.11 29.11 51.59 -31.75 27.73 51.19 -30.43 28.42 2 0 1000.00 -999 ? >PHE~A 31 47.56 -20.54 30.45 46.76 -17.85 30.42 47.16 -19.20 30.43 3 0 1000.00 -999 ? >GLU~A 32 53.83 -19.01 32.01 54.49 -18.61 34.01 54.16 -18.81 33.01 2 0 1000.00 -999 ? >PHE~A 33 55.03 -23.63 27.51 54.04 -26.10 26.66 54.53 -24.86 27.09 3 0 1000.00 -999 ? >THR~A 34 52.05 -20.93 25.29 50.43 -22.16 24.59 51.24 -21.55 24.94 2 0 1000.00 -999 ? >PHE~A 35 50.24 -15.58 27.70 49.33 -12.96 27.74 49.78 -14.27 27.72 3 0 1000.00 -999 ? >GLU~A 36 57.54 -16.66 26.71 57.97 -14.98 27.94 57.76 -15.82 27.32 2 0 1000.00 -999 ? >LEU~A 37 55.26 -19.10 22.12 56.94 -20.41 21.97 56.10 -19.75 22.04 3 0 1000.00 -999 ? >ALA~A 38 52.11 -16.01 21.85 50.81 -16.19 22.60 51.46 -16.10 22.22 2 0 1000.00 -999 ? >TRP~A 39 54.80 -12.77 25.83 56.91 -9.52 25.17 55.86 -11.14 25.50 3 0 1000.00 -999 ? >LYS~A 40 56.50 -12.76 21.48 60.67 -13.72 24.73 58.58 -13.24 23.10 2 0 1000.00 -999 ? >THR~A 41 54.78 -13.74 18.23 53.58 -15.33 17.40 54.18 -14.54 17.82 2 0 1000.00 -999 ? >LEU~A 42 51.72 -10.21 19.43 49.66 -10.81 19.67 50.69 -10.51 19.55 3 0 1000.00 -999 ? >LYS~A 43 55.85 -8.62 19.09 60.82 -7.07 21.09 58.33 -7.85 20.09 2 0 1000.00 -999 ? >THR~A 44 57.85 -9.86 16.11 58.98 -11.59 15.59 58.41 -10.73 15.85 2 0 1000.00 -999 ? >PHE~A 45 52.46 -9.51 13.06 50.57 -8.53 11.24 51.51 -9.02 12.15 3 0 1000.00 -999 ? >LEU~A 46 53.82 -5.43 16.45 51.80 -5.14 17.17 52.81 -5.28 16.81 3 0 1000.00 -999 ? >GLU~A 47 59.00 -5.38 17.23 60.75 -6.07 18.21 59.88 -5.73 17.72 2 0 1000.00 -999 ? >LEU~A 48 57.31 -7.37 10.86 58.07 -9.07 9.76 57.69 -8.22 10.31 3 0 1000.00 -999 ? >GLN~A 49 53.56 -3.75 11.04 52.31 -5.41 10.60 52.93 -4.58 10.82 2 0 1000.00 -999 ? >GLY.A 50 57.59 -0.42 12.35 57.26 -1.01 12.69 57.42 -0.71 12.52 1 0 1000.00 -999 ? >LEU.A 51 54.01 -1.20 15.55 52.28 -0.18 14.78 53.15 -0.69 15.16 3 0 1000.00 -999 ? >GLU.A 52 57.72 0.44 20.20 59.34 1.70 20.73 58.53 1.07 20.47 2 0 1000.00 -999 ? >ALA.A 53 55.78 -3.66 21.69 54.95 -4.88 21.35 55.37 -4.27 21.52 2 0 1000.00 -999 ? >ARG.A 54 59.51 -0.02 24.81 57.27 2.01 24.21 58.39 0.99 24.51 2 0 1000.00 -999 ? >SER~A 55 55.55 -5.65 26.91 54.03 -3.96 27.74 54.79 -4.81 27.32 2 0 1000.00 -999 ? >PRO~A 56 53.99 -9.57 27.93 53.34 -7.84 26.74 53.67 -8.70 27.34 3 0 1000.00 -999 ? >ARG~A 57 48.33 -3.13 29.47 45.64 -4.08 30.57 46.98 -3.61 30.02 2 0 1000.00 -999 ? >ALA~A 58 51.38 -3.48 24.52 52.76 -2.84 24.61 52.07 -3.16 24.56 2 0 1000.00 -999 ? >ALA~A 59 51.65 -6.38 22.07 52.44 -7.66 22.32 52.05 -7.02 22.20 2 0 1000.00 -999 ? >ILE~A 60 47.32 -7.36 24.10 47.00 -8.75 24.02 47.16 -8.05 24.06 3 0 1000.00 -999 ? >ARG~A 61 45.56 -2.18 24.73 42.79 -2.05 26.08 44.18 -2.12 25.41 2 0 1000.00 -999 ? >GLY~A 62 49.23 -3.31 19.19 48.59 -3.82 19.35 48.91 -3.57 19.27 1 0 1000.00 -999 ? >ALA~A 63 47.69 -6.31 17.42 47.76 -7.74 17.91 47.72 -7.03 17.67 2 0 1000.00 -999 ? >PHE~A 64 43.35 -5.55 20.55 42.45 -7.52 22.31 42.90 -6.54 21.43 3 0 1000.00 -999 ? >GLN~A 65 47.08 -0.67 17.15 48.15 1.09 17.76 47.61 0.21 17.46 2 0 1000.00 -999 ? >VAL~A 66 47.03 -2.96 13.66 48.88 -4.10 13.44 47.95 -3.53 13.55 3 0 1000.00 -999 ? >GLY.A 67 44.15 -5.29 12.79 44.61 -5.47 13.39 44.38 -5.38 13.09 1 0 1000.00 -999 ? >LEU.A 68 46.84 -8.93 14.07 48.02 -10.70 13.72 47.43 -9.81 13.90 3 0 1000.00 -999 ? >LEU.A 69 44.07 -10.15 17.84 45.45 -11.72 18.31 44.76 -10.93 18.08 3 0 1000.00 -999 ? >PRO.A 70 39.27 -11.10 16.65 40.43 -9.21 16.67 39.85 -10.16 16.66 3 0 1000.00 -999 ? >GLU.A 71 38.49 -4.14 19.14 39.63 -3.32 20.72 39.06 -3.73 19.93 2 0 1000.00 -999 ? >ASP.A 72 38.99 -10.56 22.22 37.85 -12.02 23.27 38.42 -11.29 22.74 2 0 1000.00 -999 ? >PRO~A 73 36.38 -7.88 26.07 38.52 -7.98 25.45 37.45 -7.93 25.76 3 0 1000.00 -999 ? >PHE~A 74 39.02 -13.90 27.32 39.60 -16.20 28.80 39.31 -15.05 28.06 3 0 1000.00 -999 ? >TRP~A 75 42.67 -11.55 22.65 45.81 -13.88 22.18 44.24 -12.71 22.42 3 0 1000.00 -999 ? >LEU~A 76 43.09 -7.39 28.93 44.03 -6.56 27.17 43.56 -6.98 28.05 3 0 1000.00 -999 ? >GLU~A 77 39.69 -12.22 32.01 37.72 -12.84 31.50 38.71 -12.53 31.75 2 0 1000.00 -999 ? >MET?A 78 44.23 -13.95 30.17 43.67 -15.62 26.21 43.95 -14.78 28.19 2 0 1000.00 -999 ? >LEU~A 79 47.38 -10.34 30.20 48.73 -8.76 30.74 48.05 -9.55 30.47 3 0 1000.00 -999 ? >GLU~A 80 44.07 -9.42 33.88 45.32 -7.65 33.95 44.70 -8.53 33.91 2 0 1000.00 -999 ? >LEU~A 81 44.69 -15.92 34.15 42.61 -16.34 34.33 43.65 -16.13 34.24 3 0 1000.00 -999 ? >ARG~A 82 51.95 -15.55 32.10 54.75 -14.88 31.08 53.35 -15.22 31.59 2 0 1000.00 -999 ? >ASN~A 83 50.30 -12.06 36.68 50.59 -10.90 34.92 50.45 -11.48 35.80 2 0 1000.00 -999 ? >LEU~A 84 47.39 -15.81 39.16 46.46 -14.07 40.04 46.93 -14.94 39.60 3 0 1000.00 -999 ? >THR~A 85 50.27 -19.11 37.76 51.04 -18.86 35.76 50.65 -18.98 36.76 2 0 1000.00 -999 ? >ASN~A 86 54.24 -17.80 40.18 53.79 -15.83 40.82 54.01 -16.82 40.50 2 0 1000.00 -999 ? >HIS~A 87 50.71 -15.79 43.65 52.02 -14.16 43.81 51.37 -14.97 43.73 3 0 1000.00 -999 ? >THR~A 88 48.71 -21.49 42.45 49.05 -22.00 40.41 48.88 -21.74 41.43 2 0 1000.00 -999 ? >TYR.A 89 51.13 -20.91 46.90 51.13 -18.16 47.38 51.13 -19.54 47.14 3 0 1000.00 -999 ? >ASP~A 90 46.09 -20.35 46.43 44.01 -19.98 46.75 45.05 -20.17 46.59 2 0 1000.00 -999 ? >GLU~A 91 45.44 -26.98 45.80 45.15 -29.00 46.43 45.29 -27.99 46.11 2 0 1000.00 -999 ? >ALA~A 92 41.25 -22.68 44.65 40.59 -21.84 45.70 40.92 -22.26 45.17 2 0 1000.00 -999 ? >LEU~A 93 44.30 -19.39 42.87 45.17 -17.78 41.74 44.74 -18.59 42.30 3 0 1000.00 -999 ? >ALA~A 94 44.36 -23.21 40.44 44.96 -24.46 41.04 44.66 -23.83 40.74 2 0 1000.00 -999 ? >GLU~A 95 40.20 -26.07 41.43 40.32 -27.62 39.99 40.26 -26.84 40.71 2 0 1000.00 -999 ? >ARG~A 96 39.30 -17.44 41.12 40.79 -17.31 43.80 40.04 -17.37 42.46 2 0 1000.00 -999 ? >ILE~A 97 44.01 -20.64 36.56 45.35 -19.97 36.50 44.68 -20.31 36.53 3 0 1000.00 -999 ? >TYR~A 98 41.52 -26.54 34.63 40.75 -28.73 33.07 41.14 -27.64 33.85 3 0 1000.00 -999 ? >ALA~A 99 38.26 -22.87 34.35 37.46 -22.22 35.43 37.86 -22.55 34.89 2 0 1000.00 -999 ? >GLU~A 100 39.04 -18.38 33.36 36.92 -18.12 33.29 37.98 -18.25 33.32 2 0 1000.00 -999 ? >LEU~A 101 42.74 -23.47 30.33 44.64 -23.12 31.32 43.69 -23.30 30.82 3 0 1000.00 -999 ? >PRO~A 102 38.58 -25.02 29.09 39.74 -23.57 27.91 39.16 -24.30 28.50 3 0 1000.00 -999 ? >LYS~A 103 38.57 -20.23 26.17 35.12 -16.20 28.76 36.85 -18.22 27.47 2 0 1000.00 -999 ? >ALA~A 104 42.22 -19.18 26.20 43.17 -19.36 27.36 42.69 -19.27 26.78 2 0 1000.00 -999 ? >LEU~A 105 42.32 -23.53 24.09 43.04 -25.15 22.84 42.68 -24.34 23.47 3 0 1000.00 -999 ? >GLU~A 106 37.88 -21.49 22.14 35.80 -21.06 22.13 36.84 -21.28 22.14 2 0 1000.00 -999 ? >ARG~A 107 39.87 -15.68 22.13 37.64 -16.03 24.21 38.75 -15.86 23.17 2 0 1000.00 -999 ? >PHE~A 108 46.60 -19.47 22.78 47.63 -18.42 25.17 47.12 -18.94 23.98 3 0 1000.00 -999 ? >GLN~A 109 43.14 -23.31 18.90 41.70 -24.86 19.07 42.42 -24.08 18.98 2 0 1000.00 -999 ? >GLU~A 110 41.28 -15.58 16.53 39.99 -15.73 14.85 40.64 -15.65 15.69 2 0 1000.00 -999 ? >LEU~A 111 46.68 -15.88 17.66 48.39 -14.55 17.60 47.53 -15.21 17.63 3 0 1000.00 -999 ? >LEU~A 112 47.28 -20.59 15.11 48.95 -21.68 15.89 48.12 -21.13 15.50 3 0 1000.00 -999 ? >ARG~A 113 41.13 -20.21 12.13 40.19 -20.65 15.01 40.66 -20.43 13.57 2 0 1000.00 -999 ? >ARG~A 114 42.56 -12.88 13.56 39.54 -12.94 12.89 41.05 -12.91 13.22 2 0 1000.00 -999 ? >LEU~A 115 49.72 -15.91 12.25 50.66 -14.87 13.89 50.19 -15.39 13.07 3 0 1000.00 -999 ? >GLU.A 116 47.44 -15.73 5.84 46.07 -14.35 6.64 46.75 -15.04 6.24 2 0 1000.00 -999 ? >ALA.B 2 49.39 -20.84 52.28 50.03 -20.21 51.07 49.71 -20.52 51.68 2 0 1000.00 -999 ? >SER~B 3 51.48 -23.67 53.77 51.79 -25.64 55.12 51.63 -24.65 54.45 2 0 1000.00 -999 ? >LEU~B 4 56.30 -23.89 53.11 58.21 -23.98 52.13 57.26 -23.94 52.62 3 0 1000.00 -999 ? >ALA~B 5 54.85 -27.85 54.15 54.49 -28.11 55.60 54.67 -27.98 54.87 2 0 1000.00 -999 ? >ARG~B 6 49.01 -29.64 51.05 47.82 -31.69 49.08 48.42 -30.66 50.06 2 0 1000.00 -999 ? >ALA~B 7 53.16 -27.19 48.84 53.61 -25.77 48.58 53.38 -26.48 48.71 2 0 1000.00 -999 ? >VAL~B 8 56.22 -29.38 49.35 58.04 -29.49 50.53 57.13 -29.43 49.94 3 0 1000.00 -999 ? >GLU~B 9 51.97 -33.75 50.73 50.14 -33.63 51.81 51.06 -33.69 51.27 2 0 1000.00 -999 ? >ARG~B 10 49.23 -29.51 45.89 48.66 -26.98 44.26 48.94 -28.25 45.08 2 0 1000.00 -999 ? >LEU~B 11 56.80 -30.70 45.04 58.44 -30.21 43.72 57.62 -30.46 44.38 3 0 1000.00 -999 ? >LYS~B 12 56.59 -34.90 46.38 58.51 -38.69 49.67 57.55 -36.80 48.03 2 0 1000.00 -999 ? >ALA~B 13 53.36 -36.43 45.18 51.99 -35.88 45.44 52.68 -36.15 45.31 2 0 1000.00 -999 ? >ALA~B 14 53.86 -35.51 41.55 53.83 -34.12 40.93 53.85 -34.81 41.24 2 0 1000.00 -999 ? >LEU~B 15 58.51 -36.15 42.75 59.73 -34.56 41.99 59.12 -35.35 42.37 3 0 1000.00 -999 ? >GLU~B 16 56.60 -40.01 45.76 56.11 -40.89 47.67 56.35 -40.45 46.72 2 0 1000.00 -999 ? >ARG~B 17 50.37 -39.84 40.31 49.16 -41.53 42.54 49.77 -40.69 41.43 2 0 1000.00 -999 ? >PRO.B 18 53.26 -44.01 37.49 54.94 -42.64 37.96 54.10 -43.32 37.72 3 0 1000.00 -999 ? >LYS.B 19 56.53 -40.34 34.75 59.95 -37.71 31.48 58.24 -39.02 33.12 2 0 1000.00 -999 ? >ASP~B 20 53.61 -39.74 31.39 52.15 -38.64 32.43 52.88 -39.19 31.91 2 0 1000.00 -999 ? >GLU~B 21 52.83 -35.98 27.96 52.57 -35.70 25.86 52.70 -35.84 26.91 2 0 1000.00 -999 ? >PHE~B 22 49.55 -35.06 30.54 48.63 -34.77 27.92 49.09 -34.91 29.23 3 0 1000.00 -999 ? >ILE~B 23 53.51 -37.01 35.69 53.04 -36.98 37.07 53.28 -36.99 36.38 3 0 1000.00 -999 ? >ARG~B 24 58.86 -33.54 31.11 57.95 -33.11 28.22 58.41 -33.33 29.66 2 0 1000.00 -999 ? >ASP~B 25 53.90 -30.40 32.10 54.91 -30.54 30.20 54.41 -30.47 31.15 2 0 1000.00 -999 ? >SER~B 26 52.79 -30.76 36.49 52.24 -32.89 37.55 52.52 -31.83 37.02 2 0 1000.00 -999 ? >ALA~B 27 55.91 -31.37 38.56 56.88 -32.53 38.40 56.40 -31.95 38.48 2 0 1000.00 -999 ? >ILE~B 28 57.64 -28.08 35.46 58.45 -27.76 34.32 58.04 -27.92 34.89 3 0 1000.00 -999 ? >GLN~B 29 52.38 -25.21 36.70 51.96 -23.79 38.22 52.17 -24.50 37.46 2 0 1000.00 -999 ? >ARG~B 30 52.19 -30.56 42.00 49.56 -32.08 42.31 50.87 -31.32 42.15 2 0 1000.00 -999 ? >PHE~B 31 60.34 -26.31 40.81 62.78 -25.00 41.15 61.56 -25.65 40.98 3 0 1000.00 -999 ? >GLU~B 32 56.41 -21.38 38.28 55.12 -21.10 36.59 55.76 -21.24 37.44 2 0 1000.00 -999 ? >PHE~B 33 52.92 -23.92 43.56 51.99 -26.45 44.33 52.46 -25.18 43.94 3 0 1000.00 -999 ? >THR~B 34 56.50 -24.41 45.84 57.59 -26.23 45.97 57.04 -25.32 45.90 2 0 1000.00 -999 ? >PHE~B 35 61.67 -21.42 44.07 63.94 -19.78 44.27 62.81 -20.60 44.17 3 0 1000.00 -999 ? >GLU~B 36 55.84 -17.33 44.97 56.86 -15.70 44.04 56.35 -16.51 44.50 2 0 1000.00 -999 ? >LEU~B 37 55.49 -21.18 49.22 53.53 -20.71 49.92 54.51 -20.94 49.57 3 0 1000.00 -999 ? >ALA~B 38 59.90 -21.01 49.85 60.76 -21.98 49.06 60.33 -21.49 49.45 2 0 1000.00 -999 ? >TRP~B 39 60.01 -16.35 46.47 60.78 -12.58 47.24 60.39 -14.46 46.86 3 0 1000.00 -999 ? >LYS~B 40 58.56 -15.79 50.76 55.38 -12.97 49.69 56.97 -14.38 50.23 2 0 1000.00 -999 ? >THR~B 41 59.08 -18.04 53.81 58.37 -20.02 54.25 58.72 -19.03 54.03 2 0 1000.00 -999 ? >LEU~B 42 63.82 -17.36 53.00 65.01 -19.14 52.72 64.41 -18.25 52.86 3 0 1000.00 -999 ? >LYS~B 43 61.92 -13.50 53.63 60.09 -8.99 50.81 61.00 -11.24 52.22 2 0 1000.00 -999 ? >THR~B 44 59.50 -13.77 56.55 57.43 -14.41 56.81 58.46 -14.09 56.68 2 0 1000.00 -999 ? >PHE~B 45 63.69 -17.48 59.29 65.63 -18.34 61.13 64.66 -17.91 60.21 3 0 1000.00 -999 ? >LEU~B 46 65.29 -12.72 56.47 66.49 -14.39 55.84 65.89 -13.56 56.15 3 0 1000.00 -999 ? >GLU~B 47 61.06 -8.75 57.18 60.35 -9.09 55.21 60.70 -8.92 56.19 2 0 1000.00 -999 ? >LEU~B 48 61.00 -13.17 62.26 60.32 -14.33 63.93 60.66 -13.75 63.09 3 0 1000.00 -999 ? >GLN~B 49 66.14 -14.45 61.68 66.13 -15.11 63.67 66.14 -14.78 62.67 2 0 1000.00 -999 ? >GLY~B 50 65.71 -8.43 62.13 65.94 -8.93 61.52 65.83 -8.68 61.82 1 0 1000.00 -999 ? >LEU.B 51 68.05 -9.71 58.24 69.91 -10.36 59.10 68.98 -10.03 58.67 3 0 1000.00 -999 ? >GLU.B 52 65.42 -5.42 53.81 66.22 -3.57 53.12 65.82 -4.50 53.47 2 0 1000.00 -999 ? >ALA.B 53 65.58 -9.39 52.05 65.48 -10.89 52.28 65.53 -10.14 52.16 2 0 1000.00 -999 ? >ARG.B 54 63.43 -5.02 50.19 64.88 -2.32 50.01 64.16 -3.67 50.10 2 0 1000.00 -999 ? >SER~B 55 64.60 -10.38 46.29 66.89 -10.25 45.63 65.74 -10.32 45.96 2 0 1000.00 -999 ? >PRO~B 56 63.17 -13.96 44.31 64.65 -13.47 45.87 63.91 -13.72 45.09 3 0 1000.00 -999 ? >ARG~B 57 71.96 -13.32 43.94 70.87 -14.08 41.18 71.41 -13.70 42.56 2 0 1000.00 -999 ? >ALA~B 58 68.98 -11.64 48.54 68.29 -10.31 48.60 68.63 -10.98 48.57 2 0 1000.00 -999 ? >ALA~B 59 66.77 -13.96 50.61 65.36 -14.31 50.21 66.06 -14.14 50.41 2 0 1000.00 -999 ? >ILE~B 60 68.99 -17.65 48.39 68.76 -18.76 47.50 68.88 -18.20 47.95 3 0 1000.00 -999 ? >ARG~B 61 74.38 -12.07 49.59 72.13 -10.10 48.72 73.25 -11.09 49.16 2 0 1000.00 -999 ? >GLY~B 62 70.54 -14.02 53.74 70.59 -14.80 53.45 70.57 -14.41 53.60 1 0 1000.00 -999 ? >ALA~B 63 69.51 -17.58 54.60 68.78 -18.51 53.66 69.14 -18.05 54.13 2 0 1000.00 -999 ? >PHE~B 64 73.50 -19.61 51.99 72.65 -21.35 49.96 73.08 -20.48 50.98 3 0 1000.00 -999 ? >GLN~B 65 74.95 -13.39 56.95 73.71 -11.80 57.67 74.33 -12.60 57.31 2 0 1000.00 -999 ? >VAL~B 66 72.14 -16.20 59.42 70.13 -15.62 58.92 71.14 -15.91 59.17 3 0 1000.00 -999 ? >GLY.B 67 73.03 -19.88 59.41 72.32 -19.64 59.22 72.67 -19.76 59.31 1 0 1000.00 -999 ? >LEU.B 68 68.38 -20.49 58.01 66.28 -20.97 57.95 67.33 -20.73 57.98 3 0 1000.00 -999 ? >LEU.B 69 70.03 -22.81 54.23 68.06 -23.28 53.57 69.04 -23.04 53.90 3 0 1000.00 -999 ? >PRO.B 70 73.00 -26.61 54.72 73.32 -24.49 55.26 73.16 -25.55 54.99 3 0 1000.00 -999 ? >GLU.B 71 78.46 -22.31 51.50 77.97 -20.29 51.82 78.22 -21.30 51.66 2 0 1000.00 -999 ? >ASP.B 72 73.64 -25.70 49.54 73.34 -27.33 48.24 73.49 -26.51 48.89 2 0 1000.00 -999 ? >PRO~B 73 77.06 -25.02 45.41 75.43 -23.84 46.33 76.25 -24.43 45.87 3 0 1000.00 -999 ? >PHE~B 74 71.08 -27.65 43.92 69.22 -28.71 42.11 70.15 -28.18 43.02 3 0 1000.00 -999 ? >TRP~B 75 70.03 -24.08 49.11 66.14 -23.75 49.54 68.09 -23.91 49.33 3 0 1000.00 -999 ? >LEU~B 76 72.44 -19.90 43.19 73.00 -18.27 44.46 72.72 -19.08 43.82 3 0 1000.00 -999 ? >GLU~B 77 72.57 -24.69 39.46 73.68 -26.52 39.60 73.12 -25.61 39.53 2 0 1000.00 -999 ? >MET?B 78 67.16 -23.63 41.51 66.71 -25.83 45.12 66.94 -24.73 43.31 2 0 1000.00 -999 ? >LEU~B 79 67.20 -18.83 42.06 66.59 -16.77 42.06 66.90 -17.80 42.06 3 0 1000.00 -999 ? >GLU~B 80 70.42 -19.40 36.98 69.90 -18.94 34.98 70.16 -19.17 35.98 2 0 1000.00 -999 ? >LEU~B 81 65.79 -24.22 37.69 67.25 -25.67 37.11 66.52 -24.95 37.40 3 0 1000.00 -999 ? >ARG~B 82 60.70 -19.27 39.76 57.90 -18.18 39.26 59.30 -18.73 39.51 2 0 1000.00 -999 ? >ASN~B 83 64.24 -17.32 36.21 64.27 -16.36 38.12 64.25 -16.84 37.17 2 0 1000.00 -999 ? >LEU~B 84 64.25 -21.69 32.80 66.17 -21.01 32.16 65.21 -21.35 32.48 3 0 1000.00 -999 ? >THR~B 85 59.68 -22.26 33.62 58.96 -21.70 35.57 59.32 -21.98 34.59 2 0 1000.00 -999 ? >ASN~B 86 58.10 -18.35 31.21 59.96 -17.35 31.62 59.03 -17.85 31.41 2 0 1000.00 -999 ? >HIS~B 87 62.32 -19.22 28.18 62.44 -17.13 28.18 62.38 -18.17 28.18 3 0 1000.00 -999 ? >THR~B 88 59.38 -24.65 28.61 58.62 -25.88 30.18 59.00 -25.26 29.40 2 0 1000.00 -999 ? >TYR.B 89 58.56 -22.17 24.34 60.58 -20.23 24.30 59.57 -21.20 24.32 3 0 1000.00 -999 ? >ASP~B 90 62.38 -25.30 24.61 64.15 -26.46 24.82 63.27 -25.88 24.72 2 0 1000.00 -999 ? >GLU~B 91 58.54 -30.57 24.81 57.42 -32.07 23.85 57.98 -31.32 24.33 2 0 1000.00 -999 ? >ALA~B 92 64.51 -30.41 25.95 65.53 -30.05 24.92 65.02 -30.23 25.43 2 0 1000.00 -999 ? >LEU~B 93 64.11 -26.27 28.40 64.71 -24.73 29.80 64.41 -25.50 29.10 3 0 1000.00 -999 ? >ALA~B 94 61.50 -29.19 30.55 60.18 -29.55 29.92 60.84 -29.37 30.23 2 0 1000.00 -999 ? >GLU~B 95 62.65 -34.10 28.89 61.82 -35.55 30.22 62.23 -34.82 29.55 2 0 1000.00 -999 ? >ARG~B 96 68.92 -27.49 31.39 68.83 -27.99 28.33 68.87 -27.74 29.86 2 0 1000.00 -999 ? >ILE~B 97 63.13 -28.12 34.60 63.56 -26.77 35.03 63.35 -27.44 34.81 3 0 1000.00 -999 ? >TYR~B 98 61.19 -34.30 35.52 60.12 -36.45 36.95 60.65 -35.38 36.23 3 0 1000.00 -999 ? >ALA~B 99 65.85 -34.05 36.14 66.94 -34.11 35.12 66.40 -34.08 35.63 2 0 1000.00 -999 ? >GLU~B 100 68.58 -30.18 37.61 70.32 -31.18 38.41 69.45 -30.68 38.01 2 0 1000.00 -999 ? >LEU~B 101 62.17 -31.97 40.19 61.21 -30.27 39.25 61.69 -31.12 39.72 3 0 1000.00 -999 ? >PRO~B 102 64.06 -36.04 41.07 64.24 -34.30 42.42 64.15 -35.17 41.74 3 0 1000.00 -999 ? >LYS~B 103 67.39 -32.84 44.29 72.91 -31.49 43.11 70.15 -32.16 43.70 2 0 1000.00 -999 ? >ALA~B 104 65.35 -29.67 44.74 64.56 -28.96 43.66 64.96 -29.31 44.20 2 0 1000.00 -999 ? >LEU~B 105 62.00 -32.81 46.41 60.17 -33.35 47.44 61.08 -33.08 46.93 3 0 1000.00 -999 ? >GLU~B 106 66.84 -34.92 48.50 68.74 -35.76 47.98 67.79 -35.34 48.24 2 0 1000.00 -999 ? >ARG~B 107 69.30 -28.18 47.45 71.15 -30.63 47.39 70.22 -29.40 47.42 2 0 1000.00 -999 ? >PHE~B 108 61.69 -27.18 48.26 61.50 -25.38 46.14 61.60 -26.28 47.20 3 0 1000.00 -999 ? >GLN~B 109 61.25 -32.72 51.76 61.66 -34.63 50.94 61.45 -33.68 51.35 2 0 1000.00 -999 ? >GLU~B 110 68.07 -29.25 54.85 68.14 -30.73 56.40 68.10 -29.99 55.63 2 0 1000.00 -999 ? >LEU~B 111 64.01 -25.12 53.59 63.80 -22.98 53.72 63.90 -24.05 53.65 3 0 1000.00 -999 ? >LEU~B 112 60.23 -28.21 55.61 58.34 -27.85 54.71 59.28 -28.03 55.16 3 0 1000.00 -999 ? >ARG~B 113 65.36 -32.42 58.98 67.89 -31.07 60.13 66.62 -31.75 59.56 2 0 1000.00 -999 ? >ARG~B 114 68.81 -25.90 58.52 71.01 -27.90 57.78 69.91 -26.90 58.15 2 0 1000.00 -999 ? >LEU~B 115 61.43 -23.51 59.24 61.78 -22.08 57.67 61.60 -22.79 58.46 3 0 1000.00 -999 ? >GLU.B 116 60.45 -28.15 63.74 58.67 -27.24 63.08 59.56 -27.70 63.41 2 0 1000.00 -999 ? >SER~C 3 42.24 -60.17 59.52 44.53 -59.85 60.23 43.39 -60.01 59.88 2 0 1000.00 -999 ? >LEU~C 4 40.85 -56.60 62.54 39.94 -54.76 63.21 40.40 -55.68 62.87 3 0 1000.00 -999 ? >ALA~C 5 45.21 -56.41 61.91 46.08 -57.49 62.55 45.64 -56.95 62.23 2 0 1000.00 -999 ? >ARG~C 6 46.97 -57.25 55.07 47.45 -56.47 52.14 47.21 -56.86 53.60 2 0 1000.00 -999 ? >ALA~C 7 43.43 -54.13 57.25 41.94 -54.34 57.47 42.68 -54.24 57.36 2 0 1000.00 -999 ? >VAL~C 8 44.31 -51.49 59.81 44.99 -51.59 61.87 44.65 -51.54 60.84 3 0 1000.00 -999 ? >GLU~C 9 50.01 -53.21 58.01 51.10 -52.88 59.81 50.56 -53.05 58.91 2 0 1000.00 -999 ? >ARG~C 10 45.38 -54.21 52.82 43.60 -54.07 50.32 44.49 -54.14 51.57 2 0 1000.00 -999 ? >LEU~C 11 44.00 -48.08 57.31 42.51 -46.55 57.63 43.25 -47.32 57.47 3 0 1000.00 -999 ? >LYS~C 12 48.07 -46.70 57.77 52.84 -47.14 59.46 50.46 -46.92 58.61 2 0 1000.00 -999 ? >ALA~C 13 49.94 -47.39 54.54 49.89 -48.69 53.78 49.91 -48.04 54.16 2 0 1000.00 -999 ? >ALA~C 14 47.69 -44.99 52.62 46.26 -45.28 52.22 46.97 -45.14 52.42 2 0 1000.00 -999 ? >LEU~C 15 47.30 -42.39 56.69 45.18 -42.10 57.09 46.24 -42.25 56.89 3 0 1000.00 -999 ? >GLU~C 16 52.51 -43.83 56.79 53.90 -45.41 57.23 53.21 -44.62 57.01 2 0 1000.00 -999 ? >ARG~C 17 52.16 -44.29 49.87 54.53 -42.58 49.01 53.35 -43.43 49.44 2 0 1000.00 -999 ? >PRO.C 18 53.28 -38.16 48.61 51.97 -38.31 50.39 52.63 -38.24 49.50 3 0 1000.00 -999 ? >LYS.C 19 48.17 -36.66 49.87 43.93 -32.34 50.97 46.05 -34.50 50.42 2 0 1000.00 -999 ? >ASP~C 20 47.81 -36.70 45.33 47.99 -38.79 45.11 47.90 -37.74 45.22 2 0 1000.00 -999 ? >GLU~C 21 42.82 -36.71 42.74 41.64 -35.70 41.30 42.23 -36.20 42.02 2 0 1000.00 -999 ? >PHE~C 22 44.48 -40.54 41.99 43.75 -39.49 39.52 44.11 -40.01 40.76 3 0 1000.00 -999 ? >ILE~C 23 46.80 -40.70 48.39 47.60 -41.88 48.87 47.20 -41.29 48.63 3 0 1000.00 -999 ? >ARG~C 24 40.29 -36.47 49.26 39.15 -35.58 46.57 39.72 -36.03 47.91 2 0 1000.00 -999 ? >ASP~C 25 39.58 -41.29 46.34 38.42 -39.55 45.94 39.00 -40.42 46.14 2 0 1000.00 -999 ? >SER~C 26 41.84 -44.64 48.42 44.25 -44.61 48.38 43.05 -44.63 48.40 2 0 1000.00 -999 ? >ALA~C 27 42.23 -43.93 52.11 42.88 -42.69 52.70 42.56 -43.31 52.41 2 0 1000.00 -999 ? >ILE~C 28 37.68 -42.55 51.47 36.84 -41.57 51.18 37.26 -42.06 51.33 3 0 1000.00 -999 ? >GLN~C 29 38.30 -48.61 48.89 36.21 -49.04 49.00 37.25 -48.83 48.95 2 0 1000.00 -999 ? >ARG~C 30 44.10 -48.63 51.88 46.46 -49.44 50.10 45.28 -49.04 50.99 2 0 1000.00 -999 ? >PHE~C 31 37.28 -45.18 57.09 35.37 -44.57 59.04 36.32 -44.87 58.06 3 0 1000.00 -999 ? >GLU~C 32 33.52 -49.25 52.96 32.31 -48.65 51.30 32.91 -48.95 52.13 2 0 1000.00 -999 ? >PHE~C 33 38.64 -52.45 53.33 41.39 -52.17 52.79 40.02 -52.31 53.06 3 0 1000.00 -999 ? >THR~C 34 38.55 -51.60 57.90 40.38 -50.69 58.54 39.47 -51.14 58.22 2 0 1000.00 -999 ? >PHE~C 35 33.61 -48.72 60.31 31.54 -48.29 62.15 32.57 -48.50 61.23 3 0 1000.00 -999 ? >GLU~C 36 32.66 -54.75 56.60 30.59 -54.38 56.75 31.63 -54.56 56.67 2 0 1000.00 -999 ? >LEU~C 37 37.33 -55.93 58.68 38.34 -57.69 58.01 37.84 -56.81 58.35 3 0 1000.00 -999 ? >ALA~C 38 36.27 -54.08 62.74 36.77 -52.67 62.89 36.52 -53.37 62.82 2 0 1000.00 -999 ? >TRP~C 39 30.89 -53.81 60.95 27.61 -55.55 62.22 29.25 -54.68 61.58 3 0 1000.00 -999 ? >LYS~C 40 32.37 -57.73 62.49 31.54 -59.18 56.39 31.95 -58.45 59.44 2 0 1000.00 -999 ? >THR~C 41 35.23 -58.28 64.94 37.37 -57.92 65.01 36.30 -58.10 64.97 2 0 1000.00 -999 ? >LEU~C 42 32.96 -55.14 67.81 33.98 -53.51 68.73 33.47 -54.33 68.27 3 0 1000.00 -999 ? >LYS~C 43 30.26 -58.57 67.02 27.02 -61.94 64.73 28.64 -60.26 65.88 2 0 1000.00 -999 ? >THR~C 44 32.25 -61.77 67.37 33.70 -62.95 66.27 32.98 -62.36 66.82 2 0 1000.00 -999 ? >PHE~C 45 35.06 -59.12 72.25 35.90 -59.08 74.91 35.48 -59.10 73.58 3 0 1000.00 -999 ? >LEU~C 46 29.36 -58.76 71.65 29.49 -56.64 72.02 29.43 -57.70 71.83 3 0 1000.00 -999 ? >GLU~C 47 27.39 -63.61 69.05 27.29 -63.14 66.97 27.34 -63.38 68.01 2 0 1000.00 -999 ? >LEU~C 48 33.23 -64.89 72.32 34.76 -66.37 72.74 33.99 -65.63 72.53 3 0 1000.00 -999 ? >GLN~C 49 32.22 -60.88 75.55 33.82 -61.59 76.73 33.02 -61.23 76.14 2 0 1000.00 -999 ? >GLY~C 50 27.41 -64.30 75.61 27.56 -63.51 75.39 27.49 -63.90 75.50 1 0 1000.00 -999 ? >LEU.C 51 26.41 -59.79 74.65 26.74 -58.89 76.60 26.58 -59.34 75.62 3 0 1000.00 -999 ? >GLU.C 52 21.48 -62.16 71.60 21.05 -63.04 73.60 21.26 -62.60 72.60 2 0 1000.00 -999 ? >ALA.C 53 24.38 -57.52 68.91 25.72 -57.08 69.42 25.05 -57.30 69.16 2 0 1000.00 -999 ? >ARG.C 54 20.01 -58.06 66.65 21.22 -55.32 67.49 20.61 -56.69 67.07 2 0 1000.00 -999 ? >SER~C 55 24.01 -53.78 64.05 22.77 -51.90 65.03 23.39 -52.84 64.54 2 0 1000.00 -999 ? >PRO~C 56 27.17 -51.88 61.81 26.63 -52.08 63.94 26.90 -51.98 62.87 3 0 1000.00 -999 ? >ARG~C 57 23.30 -46.18 66.73 22.33 -44.85 64.13 22.82 -45.52 65.43 2 0 1000.00 -999 ? >ALA~C 58 24.67 -51.97 68.85 23.65 -53.01 68.55 24.16 -52.49 68.70 2 0 1000.00 -999 ? >ALA~C 59 28.10 -53.61 68.69 28.77 -54.12 67.43 28.43 -53.87 68.06 2 0 1000.00 -999 ? >ILE~C 60 29.71 -48.97 68.91 30.31 -47.88 68.18 30.01 -48.43 68.55 3 0 1000.00 -999 ? >ARG~C 61 24.85 -47.65 72.94 24.18 -45.56 70.78 24.51 -46.60 71.86 2 0 1000.00 -999 ? >GLY~C 62 28.00 -53.37 73.56 28.55 -52.75 73.39 28.28 -53.06 73.47 1 0 1000.00 -999 ? >ALA~C 63 31.76 -52.90 73.28 32.49 -52.48 72.01 32.12 -52.69 72.65 2 0 1000.00 -999 ? >PHE~C 64 31.16 -47.81 74.40 32.29 -46.10 72.50 31.72 -46.95 73.45 3 0 1000.00 -999 ? >GLN~C 65 27.55 -53.60 77.85 25.62 -54.37 78.33 26.59 -53.99 78.09 2 0 1000.00 -999 ? >VAL~C 66 31.04 -54.94 78.42 31.93 -56.32 76.98 31.49 -55.63 77.70 3 0 1000.00 -999 ? >GLY.C 67 34.20 -52.87 78.81 34.15 -53.25 78.14 34.17 -53.06 78.48 1 0 1000.00 -999 ? >LEU.C 68 35.76 -54.11 74.36 37.19 -54.97 72.98 36.48 -54.54 73.67 3 0 1000.00 -999 ? >LEU.C 69 36.16 -49.54 73.23 36.40 -50.88 71.59 36.28 -50.21 72.41 3 0 1000.00 -999 ? >PRO.C 70 38.80 -47.43 77.14 36.70 -47.53 76.45 37.75 -47.48 76.79 3 0 1000.00 -999 ? >GLU.C 71 31.67 -44.45 78.15 29.98 -44.09 76.91 30.82 -44.27 77.53 2 0 1000.00 -999 ? >ASP.C 72 35.71 -43.29 72.64 36.97 -41.99 71.56 36.34 -42.64 72.10 2 0 1000.00 -999 ? >PRO~C 73 32.10 -39.01 73.27 32.48 -40.68 71.87 32.29 -39.85 72.57 3 0 1000.00 -999 ? >PHE~C 74 36.36 -40.44 67.04 37.37 -40.01 64.47 36.87 -40.22 65.75 3 0 1000.00 -999 ? >TRP~C 75 35.16 -45.93 69.91 36.45 -48.36 67.11 35.81 -47.15 68.51 3 0 1000.00 -999 ? >LEU~C 76 28.59 -42.61 67.81 28.18 -44.47 68.86 28.39 -43.54 68.33 3 0 1000.00 -999 ? >GLU~C 77 32.14 -38.16 64.26 33.24 -36.50 65.03 32.69 -37.33 64.64 2 0 1000.00 -999 ? >MET?C 78 33.07 -42.96 62.70 36.57 -44.45 64.72 34.82 -43.70 63.71 2 0 1000.00 -999 ? >LEU~C 79 28.96 -45.40 63.20 27.19 -46.54 62.76 28.07 -45.97 62.98 3 0 1000.00 -999 ? >GLU~C 80 27.02 -39.80 61.97 26.20 -39.09 60.16 26.61 -39.45 61.07 2 0 1000.00 -999 ? >LEU~C 81 32.68 -40.74 58.83 33.50 -38.85 59.42 33.09 -39.80 59.12 3 0 1000.00 -999 ? >ARG~C 82 31.71 -47.97 57.01 30.07 -48.88 54.60 30.89 -48.43 55.81 2 0 1000.00 -999 ? >ASN~C 83 26.56 -44.28 56.93 26.38 -45.79 58.40 26.47 -45.04 57.66 2 0 1000.00 -999 ? >LEU~C 84 28.92 -39.90 54.76 27.60 -38.42 55.59 28.26 -39.16 55.18 3 0 1000.00 -999 ? >THR~C 85 31.26 -42.70 51.88 31.99 -44.51 52.78 31.63 -43.61 52.33 2 0 1000.00 -999 ? >ASN~C 86 27.52 -44.15 49.14 26.04 -43.84 50.65 26.78 -43.99 49.90 2 0 1000.00 -999 ? >HIS~C 87 25.84 -39.17 50.20 23.87 -39.86 50.15 24.85 -39.52 50.17 3 0 1000.00 -999 ? >THR~C 88 31.67 -38.58 48.33 32.83 -40.25 49.03 32.25 -39.42 48.68 2 0 1000.00 -999 ? >TYR.C 89 28.26 -37.59 44.75 25.88 -37.42 46.22 27.07 -37.50 45.48 3 0 1000.00 -999 ? >ASP~C 90 29.83 -33.92 47.85 30.27 -32.15 48.94 30.05 -33.04 48.40 2 0 1000.00 -999 ? >GLU~C 91 36.29 -33.92 45.09 36.94 -33.32 43.15 36.61 -33.62 44.12 2 0 1000.00 -999 ? >ALA~C 92 34.20 -31.28 49.98 33.24 -30.12 50.12 33.72 -30.70 50.05 2 0 1000.00 -999 ? >LEU~C 93 31.45 -34.96 51.51 30.29 -36.23 52.81 30.87 -35.59 52.16 3 0 1000.00 -999 ? >ALA~C 94 35.54 -36.44 50.82 36.05 -36.61 49.41 35.80 -36.53 50.11 2 0 1000.00 -999 ? >GLU~C 95 39.12 -32.39 50.48 41.11 -33.12 50.68 40.12 -32.75 50.58 2 0 1000.00 -999 ? >ARG~C 96 32.38 -32.04 56.06 30.24 -31.59 53.90 31.31 -31.82 54.98 2 0 1000.00 -999 ? >ILE~C 97 35.58 -38.58 55.01 34.68 -39.65 54.72 35.13 -39.11 54.87 3 0 1000.00 -999 ? >TYR~C 98 42.04 -37.54 53.78 44.81 -37.96 53.63 43.42 -37.75 53.70 3 0 1000.00 -999 ? >ALA~C 99 40.73 -35.28 57.70 40.08 -33.93 57.79 40.41 -34.61 57.74 2 0 1000.00 -999 ? >GLU~C 100 36.96 -36.61 60.49 37.33 -35.39 62.18 37.15 -36.00 61.34 2 0 1000.00 -999 ? >LEU~C 101 41.46 -41.19 57.84 39.94 -41.95 56.49 40.70 -41.57 57.17 3 0 1000.00 -999 ? >PRO~C 102 44.91 -38.72 59.65 43.73 -40.22 60.78 44.32 -39.47 60.21 3 0 1000.00 -999 ? >LYS~C 103 42.01 -40.12 64.32 38.81 -36.08 65.74 40.41 -38.10 65.03 2 0 1000.00 -999 ? >ALA~C 104 40.04 -43.18 63.29 39.29 -43.30 61.98 39.67 -43.24 62.63 2 0 1000.00 -999 ? >LEU~C 105 44.53 -44.50 61.96 45.83 -46.07 61.21 45.18 -45.29 61.59 3 0 1000.00 -999 ? >GLU~C 106 45.51 -42.26 66.79 45.42 -40.42 67.84 45.46 -41.34 67.31 2 0 1000.00 -999 ? >ARG~C 107 39.91 -43.33 68.25 39.76 -40.54 69.52 39.84 -41.93 68.89 2 0 1000.00 -999 ? >PHE~C 108 40.46 -48.89 63.08 38.19 -48.20 61.61 39.33 -48.54 62.34 3 0 1000.00 -999 ? >GLN~C 109 46.43 -48.24 64.94 48.07 -46.94 64.55 47.25 -47.59 64.74 2 0 1000.00 -999 ? >GLU~C 110 42.40 -47.85 71.91 44.03 -47.68 73.26 43.22 -47.77 72.59 2 0 1000.00 -999 ? >LEU~C 111 40.06 -51.81 68.32 38.24 -52.97 68.20 39.15 -52.39 68.26 3 0 1000.00 -999 ? >LEU~C 112 44.61 -54.26 67.15 44.32 -54.58 65.06 44.47 -54.42 66.10 3 0 1000.00 -999 ? >ARG~C 113 47.83 -50.50 72.60 46.26 -50.07 75.23 47.04 -50.28 73.92 2 0 1000.00 -999 ? >ARG~C 114 40.70 -51.54 74.99 41.98 -49.00 76.13 41.34 -50.27 75.56 2 0 1000.00 -999 ? >LEU~C 115 41.34 -57.86 70.45 39.47 -57.15 69.64 40.40 -57.51 70.04 3 0 1000.00 -999 ? >GLU.C 116 45.20 -61.18 75.18 45.39 -60.10 76.98 45.29 -60.64 76.08 2 0 1000.00 -999 ? >ALA.D 2 25.97 -33.19 42.06 25.48 -34.37 42.88 25.73 -33.78 42.47 2 0 1000.00 -999 ? >SER~D 3 27.17 -33.66 38.50 28.10 -32.99 36.40 27.64 -33.33 37.45 2 0 1000.00 -999 ? >LEU~D 4 25.87 -37.86 36.49 25.61 -39.93 36.00 25.74 -38.90 36.24 3 0 1000.00 -999 ? >ALA~D 5 29.25 -36.26 34.34 28.99 -35.08 33.46 29.12 -35.67 33.90 2 0 1000.00 -999 ? >ARG~D 6 34.20 -33.46 38.22 37.15 -33.60 39.05 35.67 -33.53 38.63 2 0 1000.00 -999 ? >ALA~D 7 31.85 -38.29 38.66 30.67 -38.89 39.37 31.26 -38.59 39.01 2 0 1000.00 -999 ? >VAL~D 8 32.22 -40.21 35.42 31.00 -40.75 33.72 31.61 -40.48 34.57 3 0 1000.00 -999 ? >GLU~D 9 36.54 -35.79 34.60 36.28 -33.71 34.24 36.41 -34.75 34.42 2 0 1000.00 -999 ? >ARG~D 10 35.30 -36.40 41.04 36.37 -37.47 43.71 35.83 -36.93 42.38 2 0 1000.00 -999 ? >LEU~D 11 35.03 -43.29 37.50 34.88 -45.46 37.56 34.96 -44.37 37.53 3 0 1000.00 -999 ? >LYS~D 12 37.67 -42.30 34.15 37.26 -39.64 28.49 37.46 -40.97 31.32 2 0 1000.00 -999 ? >ALA~D 13 40.63 -40.42 35.60 40.53 -39.15 36.40 40.58 -39.79 36.00 2 0 1000.00 -999 ? >ALA~D 14 41.49 -43.19 38.05 40.69 -43.58 39.27 41.09 -43.39 38.66 2 0 1000.00 -999 ? >LEU~D 15 40.06 -46.20 34.60 38.64 -47.47 35.60 39.35 -46.84 35.10 3 0 1000.00 -999 ? >GLU~D 16 42.22 -41.88 32.19 41.93 -42.25 30.14 42.08 -42.06 31.16 2 0 1000.00 -999 ? >ARG~D 17 46.76 -41.18 37.96 48.10 -39.42 35.86 47.43 -40.30 36.91 2 0 1000.00 -999 ? >PRO.D 18 50.50 -45.42 35.18 48.57 -46.37 35.72 49.54 -45.90 35.45 3 0 1000.00 -999 ? >LYS.D 19 47.57 -49.76 38.08 46.21 -55.72 39.57 46.89 -52.74 38.82 2 0 1000.00 -999 ? >ASP~D 20 49.60 -47.97 41.54 49.94 -47.16 43.45 49.77 -47.56 42.50 2 0 1000.00 -999 ? >GLU~D 21 48.63 -50.22 47.25 49.51 -51.09 48.99 49.07 -50.65 48.12 2 0 1000.00 -999 ? >PHE~D 22 48.17 -46.36 47.22 49.75 -46.98 49.43 48.96 -46.67 48.33 3 0 1000.00 -999 ? >ILE~D 23 45.83 -46.28 40.87 45.39 -45.03 40.25 45.61 -45.66 40.56 3 0 1000.00 -999 ? >ARG~D 24 43.16 -53.28 43.16 44.23 -54.18 45.86 43.69 -53.73 44.51 2 0 1000.00 -999 ? >ASP~D 25 42.19 -48.91 47.01 42.54 -50.87 47.76 42.36 -49.89 47.38 2 0 1000.00 -999 ? >SER~D 26 40.45 -45.41 44.60 42.06 -44.24 43.23 41.26 -44.83 43.92 2 0 1000.00 -999 ? >ALA~D 27 39.06 -46.54 41.26 39.73 -47.46 40.25 39.39 -47.00 40.75 2 0 1000.00 -999 ? >ILE~D 28 37.37 -49.88 44.34 37.51 -51.13 44.90 37.44 -50.50 44.62 3 0 1000.00 -999 ? >GLN~D 29 36.45 -44.73 47.87 35.02 -43.17 47.71 35.73 -43.95 47.79 2 0 1000.00 -999 ? >ARG~D 30 38.03 -41.66 41.61 40.06 -39.36 41.57 39.05 -40.51 41.59 2 0 1000.00 -999 ? >PHE~D 31 32.21 -48.76 40.66 30.28 -50.73 40.25 31.24 -49.74 40.46 3 0 1000.00 -999 ? >GLU~D 32 30.59 -46.70 47.11 31.61 -46.79 49.02 31.10 -46.75 48.06 2 0 1000.00 -999 ? >PHE~D 33 31.66 -41.26 44.41 33.67 -40.02 42.94 32.66 -40.64 43.68 3 0 1000.00 -999 ? >THR~D 34 29.44 -42.66 40.79 30.70 -42.50 39.06 30.07 -42.58 39.92 2 0 1000.00 -999 ? >PHE~D 35 26.20 -47.96 40.85 24.14 -49.80 40.46 25.17 -48.88 40.66 3 0 1000.00 -999 ? >GLU~D 36 24.98 -42.60 45.69 23.63 -43.68 46.88 24.31 -43.14 46.28 2 0 1000.00 -999 ? >LEU~D 37 25.78 -39.81 41.24 25.97 -37.79 41.95 25.88 -38.80 41.59 3 0 1000.00 -999 ? >ALA~D 38 23.69 -42.82 38.47 24.54 -43.93 37.88 24.11 -43.38 38.18 2 0 1000.00 -999 ? >TRP~D 39 21.33 -45.39 43.04 17.61 -45.40 44.32 19.47 -45.40 43.68 3 0 1000.00 -999 ? >LYS~D 40 19.65 -41.56 41.74 20.00 -41.22 46.79 19.82 -41.39 44.26 2 0 1000.00 -999 ? >THR~D 41 19.40 -39.69 38.43 21.40 -39.29 37.63 20.40 -39.49 38.03 2 0 1000.00 -999 ? >LEU~D 42 18.49 -44.10 36.58 18.91 -45.33 34.89 18.70 -44.71 35.74 3 0 1000.00 -999 ? >LYS~D 43 15.31 -42.35 39.21 13.61 -43.26 44.22 14.46 -42.81 41.72 2 0 1000.00 -999 ? >THR~D 44 14.52 -38.66 38.76 15.46 -36.81 39.31 14.99 -37.73 39.03 2 0 1000.00 -999 ? >PHE~D 45 14.85 -40.14 32.78 13.90 -40.76 30.23 14.38 -40.45 31.50 3 0 1000.00 -999 ? >LEU~D 46 12.17 -43.43 36.17 12.99 -44.97 34.91 12.58 -44.20 35.54 3 0 1000.00 -999 ? >GLU~D 47 10.61 -40.79 40.39 10.97 -40.19 42.40 10.79 -40.49 41.40 2 0 1000.00 -999 ? >LEU.D 48 10.25 -37.13 34.42 11.29 -35.36 35.10 10.77 -36.25 34.76 3 0 1000.00 -999 ? >GLN.D 49 8.31 -41.07 31.02 10.26 -40.25 31.18 9.28 -40.66 31.10 2 0 1000.00 -999 ? >GLY.D 50 5.03 -40.96 36.25 5.66 -41.44 35.97 5.34 -41.20 36.11 1 0 1000.00 -999 ? >LEU.D 51 8.01 -44.71 35.81 6.85 -45.60 34.23 7.43 -45.15 35.02 3 0 1000.00 -999 ? >GLU.D 52 6.37 -45.06 41.67 5.68 -45.70 43.56 6.02 -45.38 42.62 2 0 1000.00 -999 ? >ALA.D 53 11.63 -46.88 41.02 12.62 -46.45 39.96 12.12 -46.66 40.49 2 0 1000.00 -999 ? >ARG.D 54 9.00 -47.10 44.60 7.09 -49.11 45.97 8.05 -48.10 45.28 2 0 1000.00 -999 ? >SER~D 55 15.45 -49.14 44.26 14.78 -51.38 43.65 15.12 -50.26 43.96 2 0 1000.00 -999 ? >PRO~D 56 19.81 -48.98 44.09 18.14 -49.32 42.68 18.97 -49.15 43.39 3 0 1000.00 -999 ? >ARG~D 57 16.56 -56.30 40.86 18.91 -58.17 40.23 17.74 -57.24 40.55 2 0 1000.00 -999 ? >ALA~D 58 13.97 -51.06 39.90 13.05 -50.48 40.95 13.51 -50.77 40.42 2 0 1000.00 -999 ? >ALA~D 59 15.60 -48.03 38.28 16.60 -47.15 38.97 16.10 -47.59 38.62 2 0 1000.00 -999 ? >ILE~D 60 18.75 -51.18 36.33 20.10 -51.69 36.30 19.42 -51.43 36.32 3 0 1000.00 -999 ? >ARG~D 61 12.76 -55.53 36.84 10.60 -53.32 37.24 11.68 -54.43 37.04 2 0 1000.00 -999 ? >GLY~D 62 12.71 -49.53 34.86 13.42 -49.71 34.45 13.07 -49.62 34.65 1 0 1000.00 -999 ? >ALA~D 63 14.98 -47.71 32.40 16.36 -47.16 32.73 15.67 -47.44 32.56 2 0 1000.00 -999 ? >PHE~D 64 16.93 -52.47 30.88 19.63 -52.97 31.37 18.28 -52.72 31.12 3 0 1000.00 -999 ? >GLN~D 65 10.32 -52.01 31.49 8.86 -52.04 33.07 9.59 -52.03 32.28 2 0 1000.00 -999 ? >VAL~D 66 11.11 -46.77 28.98 10.77 -45.23 30.48 10.94 -46.00 29.73 3 0 1000.00 -999 ? >GLY.D 67 13.77 -47.53 26.37 13.95 -47.14 27.00 13.86 -47.34 26.68 1 0 1000.00 -999 ? >LEU.D 68 16.45 -44.70 29.28 17.56 -42.92 29.74 17.01 -43.81 29.51 3 0 1000.00 -999 ? >LEU.D 69 19.83 -48.13 29.34 20.65 -46.72 30.73 20.24 -47.43 30.04 3 0 1000.00 -999 ? >PRO.D 70 21.57 -50.29 25.33 19.52 -50.34 26.19 20.55 -50.32 25.76 3 0 1000.00 -999 ? >GLU.D 71 16.39 -54.89 28.01 15.11 -56.56 28.25 15.75 -55.73 28.13 2 0 1000.00 -999 ? >ASP.D 72 23.42 -54.09 28.84 25.37 -54.85 28.57 24.40 -54.47 28.71 2 0 1000.00 -999 ? >PRO~D 73 23.67 -59.14 29.97 22.58 -57.50 31.00 23.13 -58.32 30.48 3 0 1000.00 -999 ? >PHE~D 74 28.22 -55.43 32.62 30.58 -54.97 34.04 29.40 -55.20 33.33 3 0 1000.00 -999 ? >TRP~D 75 23.05 -51.19 31.88 24.15 -48.11 34.07 23.60 -49.65 32.97 3 0 1000.00 -999 ? >LEU~D 76 21.76 -57.03 36.62 19.62 -56.72 36.59 20.69 -56.88 36.60 3 0 1000.00 -999 ? >GLU~D 77 28.09 -59.25 37.16 29.92 -59.55 36.09 29.00 -59.40 36.63 2 0 1000.00 -999 ? >MET?D 78 27.48 -54.09 38.45 27.64 -51.01 35.54 27.56 -52.55 37.00 2 0 1000.00 -999 ? >LEU~D 79 23.65 -53.07 41.24 21.84 -54.06 41.75 22.75 -53.57 41.50 3 0 1000.00 -999 ? >GLU~D 80 26.04 -59.51 42.27 26.50 -61.22 41.08 26.27 -60.36 41.68 2 0 1000.00 -999 ? >LEU~D 81 30.55 -55.34 41.28 31.98 -56.47 40.15 31.26 -55.91 40.71 3 0 1000.00 -999 ? >ARG~D 82 27.38 -49.35 44.86 25.30 -47.24 45.64 26.34 -48.29 45.25 2 0 1000.00 -999 ? >ASN~D 83 26.56 -55.66 47.09 24.58 -54.88 47.21 25.57 -55.27 47.15 2 0 1000.00 -999 ? >LEU~D 84 31.73 -56.96 46.54 30.50 -58.64 45.99 31.11 -57.80 46.27 3 0 1000.00 -999 ? >THR~D 85 33.00 -52.74 47.71 31.67 -51.14 47.07 32.33 -51.94 47.39 2 0 1000.00 -999 ? >ASN~D 86 31.77 -52.47 52.40 29.91 -53.22 51.70 30.84 -52.85 52.05 2 0 1000.00 -999 ? >HIS~D 87 32.26 -57.66 52.07 30.65 -57.68 53.40 31.46 -57.67 52.73 3 0 1000.00 -999 ? >THR~D 88 37.46 -55.55 49.54 37.05 -53.70 48.58 37.25 -54.63 49.06 2 0 1000.00 -999 ? >TYR.D 89 38.04 -57.26 54.27 35.81 -58.94 54.63 36.93 -58.10 54.45 3 0 1000.00 -999 ? >ASP~D 90 38.87 -60.50 50.57 39.19 -61.96 49.03 39.03 -61.23 49.80 2 0 1000.00 -999 ? >GLU~D 91 44.48 -57.27 48.76 46.28 -56.62 47.89 45.38 -56.94 48.32 2 0 1000.00 -999 ? >ALA~D 92 41.25 -61.25 45.57 40.94 -62.69 45.96 41.10 -61.97 45.77 2 0 1000.00 -999 ? >LEU~D 93 36.98 -59.45 46.79 34.91 -58.91 46.69 35.95 -59.18 46.74 3 0 1000.00 -999 ? >ALA~D 94 39.27 -56.10 45.11 40.34 -55.49 45.98 39.81 -55.79 45.54 2 0 1000.00 -999 ? >GLU~D 95 43.50 -57.78 42.64 44.54 -56.33 41.51 44.02 -57.06 42.08 2 0 1000.00 -999 ? >ARG~D 96 35.17 -61.63 41.72 37.18 -63.02 43.66 36.17 -62.32 42.69 2 0 1000.00 -999 ? >ILE~D 97 35.75 -54.91 42.14 34.68 -54.40 43.06 35.21 -54.65 42.60 3 0 1000.00 -999 ? >TYR~D 98 41.11 -52.35 39.22 42.79 -50.72 37.69 41.95 -51.53 38.45 3 0 1000.00 -999 ? >ALA~D 99 38.89 -55.65 36.54 39.14 -57.11 36.67 39.02 -56.38 36.60 2 0 1000.00 -999 ? >GLU~D 100 34.39 -56.74 36.88 34.73 -58.09 35.31 34.56 -57.41 36.10 2 0 1000.00 -999 ? >LEU~D 101 36.24 -50.30 37.17 35.83 -50.37 39.29 36.04 -50.34 38.23 3 0 1000.00 -999 ? >PRO~D 102 38.61 -51.29 33.32 36.54 -50.52 33.35 37.57 -50.91 33.33 3 0 1000.00 -999 ? >LYS~D 103 33.57 -52.10 31.36 33.43 -57.84 31.57 33.50 -54.97 31.47 2 0 1000.00 -999 ? >ALA~D 104 31.39 -50.25 33.87 31.53 -50.32 35.38 31.46 -50.29 34.63 2 0 1000.00 -999 ? >LEU~D 105 34.18 -46.46 32.62 35.00 -44.45 32.47 34.59 -45.45 32.54 3 0 1000.00 -999 ? >GLU~D 106 31.60 -48.93 26.97 30.17 -50.36 26.22 30.89 -49.65 26.60 2 0 1000.00 -999 ? >ARG~D 107 27.32 -51.63 30.35 29.22 -52.96 28.34 28.27 -52.29 29.34 2 0 1000.00 -999 ? >PHE~D 108 28.74 -45.28 35.05 28.19 -46.54 37.49 28.46 -45.91 36.27 3 0 1000.00 -999 ? >GLN~D 109 31.85 -43.36 29.81 33.69 -42.97 28.82 32.77 -43.17 29.32 2 0 1000.00 -999 ? >GLU~D 110 25.42 -46.50 26.58 26.36 -46.18 24.70 25.89 -46.34 25.64 2 0 1000.00 -999 ? >LEU~D 111 23.83 -43.70 31.73 22.15 -43.41 33.04 22.99 -43.55 32.38 3 0 1000.00 -999 ? >LEU~D 112 26.69 -39.52 30.50 27.15 -38.32 32.22 26.92 -38.92 31.36 3 0 1000.00 -999 ? >ARG~D 113 27.95 -41.22 24.56 25.94 -43.10 23.19 26.94 -42.16 23.87 2 0 1000.00 -999 ? >ARG~D 114 20.61 -43.96 24.87 22.47 -46.14 23.78 21.54 -45.05 24.33 2 0 1000.00 -999 ? >LEU~D 115 20.95 -38.34 30.18 20.51 -39.29 32.06 20.73 -38.81 31.12 3 0 1000.00 -999 ? >GLU.D 116 22.71 -35.00 26.71 21.39 -33.49 27.45 22.05 -34.25 27.08 2 0 1000.00 -999 ?