REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 13-FEB-06 2G0J COMPND HYPOTHETICAL PROTEIN SMU.848; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; SOURCE 3 ORGANISM_TAXID: 1309; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET28(A) AUTHOR H.-F.HOU,Z.-Q.GAO,L.-F.LI,Y.-H.LIANG,X.-D.SU,Y.-H.DONG >ARG.A -2 -44.12 -26.53 -23.18 -41.22 -27.50 -23.31 -42.67 -27.01 -23.25 2 0 1000.00 -999 ? >GLY.A -1 -46.43 -22.57 -19.71 -45.56 -22.73 -19.51 -46.00 -22.65 -19.61 1 0 1000.00 -999 ? >SER.A 0 -43.22 -21.26 -18.23 -41.75 -23.15 -18.54 -42.49 -22.21 -18.38 2 0 1000.00 -999 ? >MET.A 1 -43.96 -17.78 -16.89 -44.42 -15.30 -18.99 -44.19 -16.54 -17.94 2 0 1000.00 -999 ? >ILE^A 2 -41.66 -15.65 -13.22 -40.52 -16.05 -12.43 -41.09 -15.85 -12.83 3 0 1000.00 -999 ? >GLN^A 3 -47.34 -11.90 -13.79 -49.30 -12.30 -14.46 -48.32 -12.10 -14.12 2 0 1000.00 -999 ? >ALA^A 4 -44.36 -9.73 -10.91 -43.09 -8.96 -11.27 -43.72 -9.34 -11.09 2 0 1000.00 -999 ? >THR^A 5 -47.46 -8.08 -9.50 -49.47 -8.85 -9.36 -48.46 -8.46 -9.43 2 0 1000.00 -999 ? >PHE^A 6 -44.18 -4.48 -8.78 -41.64 -5.66 -9.00 -42.91 -5.07 -8.89 3 0 1000.00 -999 ? >ILE^A 7 -49.92 -3.41 -4.77 -51.31 -3.74 -4.24 -50.61 -3.58 -4.51 3 0 1000.00 -999 ? >ARG^A 8 -46.76 3.62 -7.48 -44.06 2.95 -8.77 -45.41 3.28 -8.12 2 0 1000.00 -999 ? >ARG^A 9 -52.05 2.09 0.81 -50.62 3.33 3.25 -51.33 2.71 2.03 2 0 1000.00 -999 ? >LYS.A 10 -50.01 6.50 -2.59 -52.10 9.69 0.57 -51.05 8.10 -1.01 2 0 1000.00 -999 ? >GLY.A 11 -46.97 6.98 -4.82 -47.09 6.34 -4.36 -47.03 6.66 -4.59 1 0 1000.00 -999 ? >ILE^A 12 -44.71 4.56 -1.39 -44.77 5.31 -0.18 -44.74 4.94 -0.78 3 0 1000.00 -999 ? >LEU^A 13 -43.37 -0.04 -4.24 -42.78 0.25 -6.30 -43.08 0.11 -5.27 3 0 1000.00 -999 ? >GLU^A 14 -47.51 0.08 0.01 -49.07 0.38 1.36 -48.29 0.23 0.69 2 0 1000.00 -999 ? >SER^A 15 -45.73 -5.28 -1.88 -48.10 -5.68 -2.25 -46.92 -5.48 -2.06 2 0 1000.00 -999 ? >VAL^A 16 -45.13 -7.55 -4.81 -43.13 -7.74 -5.66 -44.13 -7.64 -5.23 3 0 1000.00 -999 ? >GLU^A 17 -48.09 -12.00 -4.30 -50.14 -12.54 -4.39 -49.11 -12.27 -4.34 2 0 1000.00 -999 ? >LEU^A 18 -42.38 -13.45 -7.07 -41.10 -11.82 -7.61 -41.74 -12.63 -7.34 3 0 1000.00 -999 ? >THR^A 19 -45.17 -17.01 -8.52 -47.27 -17.48 -9.05 -46.22 -17.25 -8.78 2 0 1000.00 -999 ? >GLY.A 20 -43.53 -19.65 -10.71 -43.06 -19.25 -10.25 -43.29 -19.45 -10.48 1 0 1000.00 -999 ? >HIS.A 21 -39.65 -17.11 -8.26 -40.06 -17.29 -6.22 -39.86 -17.20 -7.24 3 0 1000.00 -999 ? >ALA.A 22 -38.85 -21.44 -8.55 -39.10 -21.57 -7.05 -38.97 -21.51 -7.80 2 0 1000.00 -999 ? >GLY.A 23 -38.44 -24.87 -10.11 -38.10 -24.22 -10.48 -38.27 -24.54 -10.30 1 0 1000.00 -999 ? >SER.A 24 -37.72 -25.95 -13.69 -36.69 -27.47 -15.32 -37.20 -26.71 -14.51 2 0 1000.00 -999 ? >GLY.A 25 -39.16 -25.52 -17.21 -38.30 -25.83 -17.23 -38.73 -25.68 -17.22 1 0 1000.00 -999 ? >GLU~A 26 -36.37 -24.12 -20.73 -38.29 -23.35 -21.18 -37.33 -23.73 -20.95 2 0 1000.00 -999 ? >TYR~A 27 -30.25 -23.84 -20.42 -28.03 -22.15 -20.32 -29.14 -23.00 -20.37 3 0 1000.00 -999 ? >GLY~A 28 -33.24 -20.80 -20.62 -33.61 -21.29 -20.07 -33.43 -21.05 -20.34 1 0 1000.00 -999 ? >PHE~A 29 -38.39 -21.36 -16.98 -40.24 -20.72 -14.96 -39.32 -21.04 -15.97 3 0 1000.00 -999 ? >ASP~A 30 -33.32 -22.81 -15.07 -34.47 -24.51 -14.58 -33.89 -23.66 -14.83 2 0 1000.00 -999 ? >ILE~A 31 -31.10 -18.51 -17.48 -29.70 -18.95 -17.29 -30.40 -18.73 -17.38 3 0 1000.00 -999 ? >VAL~A 32 -34.55 -16.30 -15.75 -35.96 -15.81 -17.34 -35.26 -16.05 -16.55 3 0 1000.00 -999 ? >CYH~A 33 -35.69 -17.86 -12.47 -37.33 -19.97 -13.44 -36.51 -18.91 -12.96 2 0 1000.00 -999 ? >ALA~A 34 -32.14 -17.55 -11.16 -30.92 -18.17 -11.85 -31.53 -17.86 -11.50 2 0 1000.00 -999 ? >ALA~A 35 -32.22 -13.85 -12.13 -32.35 -13.35 -13.57 -32.28 -13.60 -12.85 2 0 1000.00 -999 ? >VAL~A 36 -35.59 -13.05 -10.51 -37.66 -13.13 -11.16 -36.63 -13.09 -10.83 3 0 1000.00 -999 ? >SER~A 37 -34.79 -14.99 -7.35 -35.64 -17.21 -7.77 -35.22 -16.10 -7.56 2 0 1000.00 -999 ? >THR~A 38 -31.48 -13.10 -6.97 -29.46 -13.21 -7.79 -30.47 -13.16 -7.38 2 0 1000.00 -999 ? >LEU~A 39 -33.74 -9.13 -8.64 -32.69 -8.08 -10.19 -33.21 -8.61 -9.42 3 0 1000.00 -999 ? >SER~A 40 -35.77 -10.81 -5.07 -37.58 -11.51 -6.47 -36.67 -11.16 -5.77 2 0 1000.00 -999 ? >MET~A 41 -33.56 -12.21 -2.34 -34.62 -14.77 -0.88 -34.09 -13.49 -1.61 2 0 1000.00 -999 ? >ASN~A 42 -30.75 -8.57 -3.87 -29.24 -7.16 -3.40 -30.00 -7.86 -3.63 2 0 1000.00 -999 ? >LEU~A 43 -35.54 -6.63 -2.68 -36.88 -4.94 -2.70 -36.21 -5.78 -2.69 3 0 1000.00 -999 ? >VAL~A 44 -35.13 -8.67 1.26 -36.28 -10.49 1.57 -35.71 -9.58 1.41 3 0 1000.00 -999 ? >ASN~A 45 -30.39 -9.43 1.89 -30.53 -11.49 2.39 -30.46 -10.46 2.14 2 0 1000.00 -999 ? >ALA~A 46 -30.71 -5.03 1.45 -30.65 -4.48 0.03 -30.68 -4.76 0.74 2 0 1000.00 -999 ? >LEU~A 47 -35.30 -4.17 2.86 -36.64 -2.82 1.82 -35.97 -3.49 2.34 3 0 1000.00 -999 ? >GLU~A 48 -33.17 -7.36 8.22 -34.29 -9.13 8.62 -33.73 -8.25 8.42 2 0 1000.00 -999 ? >VAL~A 49 -29.31 -4.81 6.53 -27.65 -6.10 6.03 -28.48 -5.45 6.28 3 0 1000.00 -999 ? >LEU~A 50 -28.55 -1.20 3.41 -26.85 -1.75 2.23 -27.70 -1.48 2.82 3 0 1000.00 -999 ? >ALA.A 51 -32.53 -0.22 4.96 -33.59 -0.67 3.94 -33.06 -0.45 4.45 2 0 1000.00 -999 ? >ASP.A 52 -32.80 0.67 9.24 -31.57 0.65 10.97 -32.18 0.66 10.11 2 0 1000.00 -999 ? >CYH.A 53 -36.46 -2.07 7.56 -38.27 -2.40 5.45 -37.37 -2.24 6.50 2 0 1000.00 -999 ? >THR.A 54 -37.65 -5.61 8.39 -38.56 -6.65 10.03 -38.11 -6.13 9.21 2 0 1000.00 -999 ? >VAL.A 55 -39.96 -7.25 5.86 -39.79 -6.84 3.71 -39.87 -7.05 4.78 3 0 1000.00 -999 ? >SER.A 56 -42.92 -9.65 5.97 -44.55 -7.98 6.66 -43.74 -8.82 6.31 2 0 1000.00 -999 ? >LEU.A 57 -40.41 -13.06 3.83 -39.13 -12.98 2.09 -39.77 -13.02 2.96 3 0 1000.00 -999 ? >GLN.A 58 -46.21 -16.16 2.57 -48.15 -15.45 3.10 -47.18 -15.80 2.83 2 0 1000.00 -999 ? >MET.A 59 -42.72 -18.46 0.20 -38.96 -16.77 -0.52 -40.84 -17.61 -0.16 2 0 1000.00 -999 ? >ASP.A 60 -45.04 -22.49 -0.76 -46.32 -21.64 -2.24 -45.68 -22.06 -1.50 2 0 1000.00 -999 ? >GLU.A 61 -38.81 -23.51 -1.72 -37.97 -21.86 -2.75 -38.39 -22.69 -2.23 2 0 1000.00 -999 ? >PHE.A 62 -43.65 -27.46 -2.60 -42.06 -29.11 -0.99 -42.86 -28.29 -1.79 3 0 1000.00 -999 ? >ASP.A 63 -47.62 -24.51 -6.19 -48.23 -25.95 -4.73 -47.93 -25.23 -5.46 2 0 1000.00 -999 ? >GLY.A 64 -44.03 -23.03 -9.31 -43.93 -23.08 -8.50 -43.98 -23.05 -8.90 1 0 1000.00 -999 ? >GLY.A 65 -42.81 -21.04 -6.33 -43.62 -20.90 -6.62 -43.22 -20.97 -6.48 1 0 1000.00 -999 ? >TYR^A 66 -46.66 -17.51 -3.34 -48.16 -15.27 -2.55 -47.41 -16.39 -2.95 3 0 1000.00 -999 ? >MET^A 67 -42.96 -15.04 -3.09 -39.25 -13.84 -2.90 -41.10 -14.44 -3.00 2 0 1000.00 -999 ? >LYS^A 68 -44.62 -12.14 -1.28 -49.46 -9.11 -1.12 -47.04 -10.63 -1.20 2 0 1000.00 -999 ? >ILE^A 69 -41.25 -8.76 -0.79 -39.94 -8.65 -1.12 -40.59 -8.70 -0.95 3 0 1000.00 -999 ? >ASP^A 70 -45.95 -7.70 2.47 -47.71 -6.68 2.04 -46.83 -7.19 2.25 2 0 1000.00 -999 ? >LEU.A 71 -43.35 -2.64 2.84 -41.22 -2.89 2.72 -42.29 -2.76 2.78 3 0 1000.00 -999 ? >SER.A 72 -47.91 -2.52 4.17 -49.29 -3.28 2.31 -48.60 -2.90 3.24 2 0 1000.00 -999 ? >TYR.A 73 -49.44 -4.27 8.00 -51.85 -4.86 6.69 -50.64 -4.57 7.34 3 0 1000.00 -999 ? >ILE~A 74 -42.64 -2.29 7.61 -42.78 -3.74 7.79 -42.71 -3.01 7.70 3 0 1000.00 -999 ? >THR~A 75 -43.61 1.69 10.08 -42.34 2.25 11.75 -42.97 1.97 10.91 2 0 1000.00 -999 ? >ASN~A 76 -39.29 2.66 8.24 -38.62 0.66 8.01 -38.96 1.66 8.13 2 0 1000.00 -999 ? >LYS~A 77 -42.33 1.67 4.57 -48.62 1.27 4.41 -45.48 1.47 4.49 2 0 1000.00 -999 ? >SER~A 78 -42.60 5.26 3.31 -44.36 5.54 4.89 -43.48 5.40 4.10 2 0 1000.00 -999 ? >ASP~A 79 -38.21 4.89 5.16 -36.14 5.14 5.13 -37.17 5.01 5.15 2 0 1000.00 -999 ? >GLU~A 80 -37.58 9.38 0.62 -36.93 11.39 0.50 -37.26 10.39 0.56 2 0 1000.00 -999 ? >LYS~A 81 -34.16 4.40 1.65 -32.68 5.93 7.02 -33.42 5.16 4.34 2 0 1000.00 -999 ? >VAL~A 82 -36.80 1.67 1.64 -38.22 0.88 3.07 -37.51 1.27 2.35 3 0 1000.00 -999 ? >GLN~A 83 -40.54 4.30 -0.72 -41.79 2.76 -1.52 -41.16 3.53 -1.12 2 0 1000.00 -999 ? >LEU~A 84 -33.94 4.24 -3.11 -32.38 4.99 -4.39 -33.16 4.61 -3.75 3 0 1000.00 -999 ? >LEU~A 85 -33.86 -0.78 -1.70 -32.00 -0.94 -0.55 -32.93 -0.86 -1.12 3 0 1000.00 -999 ? >PHE~A 86 -40.07 -1.89 -3.18 -42.03 -3.89 -3.25 -41.05 -2.89 -3.22 3 0 1000.00 -999 ? >GLU~A 87 -38.56 3.51 -6.54 -40.31 3.20 -7.65 -39.43 3.35 -7.09 2 0 1000.00 -999 ? >ALA~A 88 -34.67 -0.50 -8.32 -33.31 -0.41 -7.63 -33.99 -0.45 -7.97 2 0 1000.00 -999 ? >PHE~A 89 -37.48 -5.80 -6.53 -38.81 -8.26 -6.81 -38.14 -7.03 -6.67 3 0 1000.00 -999 ? >LEU~A 90 -39.97 -1.63 -9.50 -41.95 -1.46 -10.30 -40.96 -1.55 -9.90 3 0 1000.00 -999 ? >LEU~A 91 -35.45 -0.58 -12.33 -34.69 0.79 -13.83 -35.07 0.10 -13.08 3 0 1000.00 -999 ? >GLY~A 92 -34.66 -4.93 -12.47 -35.48 -4.78 -12.57 -35.07 -4.85 -12.52 1 0 1000.00 -999 ? >ILE~A 93 -38.91 -7.12 -11.63 -39.11 -8.56 -11.46 -39.01 -7.84 -11.55 3 0 1000.00 -999 ? >THR~A 94 -39.06 -4.66 -15.40 -39.84 -2.65 -15.59 -39.45 -3.65 -15.49 2 0 1000.00 -999 ? >ASN~A 95 -34.78 -4.39 -17.67 -34.87 -2.29 -17.44 -34.83 -3.34 -17.55 2 0 1000.00 -999 ? >LEU~A 96 -35.69 -9.30 -15.74 -34.81 -11.22 -15.42 -35.25 -10.26 -15.58 3 0 1000.00 -999 ? >ALA~A 97 -39.49 -8.99 -18.23 -40.67 -8.43 -17.46 -40.08 -8.71 -17.84 2 0 1000.00 -999 ? >GLU~A 98 -38.45 -4.51 -22.35 -38.04 -2.48 -21.90 -38.25 -3.49 -22.12 2 0 1000.00 -999 ? >ASN~A 99 -34.30 -8.76 -21.61 -33.42 -6.82 -21.41 -33.86 -7.79 -21.51 2 0 1000.00 -999 ? >SER~A 100 -37.40 -12.08 -21.76 -35.40 -13.41 -21.38 -36.40 -12.74 -21.57 2 0 1000.00 -999 ? >PRO.A 101 -40.34 -10.13 -24.01 -40.42 -11.54 -22.30 -40.38 -10.84 -23.16 3 0 1000.00 -999 ? >GLU.A 102 -39.50 -16.32 -23.51 -38.22 -14.76 -24.14 -38.86 -15.54 -23.82 2 0 1000.00 -999 ? >PHE.A 103 -38.58 -17.57 -20.01 -37.73 -19.66 -21.64 -38.16 -18.61 -20.82 3 0 1000.00 -999 ? >VAL^A 104 -41.34 -13.05 -17.15 -39.80 -12.43 -15.79 -40.57 -12.74 -16.47 3 0 1000.00 -999 ? >THR^A 105 -44.35 -10.76 -16.96 -46.13 -11.34 -17.99 -45.24 -11.05 -17.47 2 0 1000.00 -999 ? >ALA^A 106 -44.84 -7.75 -14.69 -43.50 -7.17 -14.31 -44.17 -7.46 -14.50 2 0 1000.00 -999 ? >LYS^A 107 -47.69 -5.35 -13.98 -49.92 -5.29 -9.84 -48.81 -5.32 -11.91 2 0 1000.00 -999 ? >ILE^A 108 -47.04 -1.27 -11.74 -45.83 -0.59 -11.22 -46.44 -0.93 -11.48 3 0 1000.00 -999 ? >MET^A 109 -51.54 -1.76 -10.31 -53.44 -5.15 -8.97 -52.49 -3.46 -9.64 2 0 1000.00 -999 ? >THR^A 110 -51.81 1.23 -8.00 -51.03 2.94 -9.11 -51.42 2.08 -8.55 2 0 1000.00 -999 ? >GLN^A 111 -54.39 -0.48 -4.76 -54.76 -2.03 -3.32 -54.58 -1.26 -4.04 2 0 1000.00 -999 ? >SER.B 0 -15.30 -22.11 -14.34 -16.29 -22.42 -16.54 -15.80 -22.26 -15.44 2 0 1000.00 -999 ? >MET.B 1 -15.23 -19.23 -11.85 -14.40 -18.95 -8.36 -14.82 -19.09 -10.11 2 0 1000.00 -999 ? >ILE^B 2 -17.96 -15.18 -11.57 -19.25 -14.83 -11.95 -18.60 -15.01 -11.76 3 0 1000.00 -999 ? >GLN^B 3 -11.61 -13.04 -9.90 -11.57 -11.41 -8.52 -11.59 -12.22 -9.21 2 0 1000.00 -999 ? >ALA^B 4 -15.50 -9.89 -8.60 -16.92 -10.03 -8.01 -16.21 -9.96 -8.30 2 0 1000.00 -999 ? >THR^B 5 -13.37 -7.10 -7.17 -11.21 -7.19 -7.38 -12.29 -7.15 -7.28 2 0 1000.00 -999 ? >PHE^B 6 -17.18 -4.71 -4.89 -19.53 -6.01 -5.70 -18.35 -5.36 -5.30 3 0 1000.00 -999 ? >ILE^B 7 -12.12 -0.25 -5.94 -10.91 0.06 -6.65 -11.51 -0.09 -6.29 3 0 1000.00 -999 ? >ARG^B 8 -15.84 0.42 1.48 -18.61 -0.82 1.50 -17.22 -0.20 1.49 2 0 1000.00 -999 ? >ARG^B 9 -10.71 5.39 -4.86 -9.91 5.53 -7.80 -10.31 5.46 -6.33 2 0 1000.00 -999 ? >LYS.B 10 -12.05 5.93 2.11 -7.09 6.79 3.63 -9.57 6.36 2.87 2 0 1000.00 -999 ? >GLY.B 11 -15.38 4.39 3.09 -15.23 4.50 2.39 -15.30 4.44 2.74 1 0 1000.00 -999 ? >ILE^B 12 -17.56 6.14 -0.73 -17.36 7.37 -1.32 -17.46 6.75 -1.02 3 0 1000.00 -999 ? >LEU^B 13 -18.78 1.37 -3.40 -19.14 -0.53 -2.47 -18.96 0.42 -2.94 3 0 1000.00 -999 ? >GLU^B 14 -13.90 4.69 -4.92 -14.10 6.76 -5.32 -14.00 5.72 -5.12 2 0 1000.00 -999 ? >SER^B 15 -15.73 0.67 -8.78 -13.36 0.47 -9.25 -14.55 0.57 -9.01 2 0 1000.00 -999 ? >VAL^B 16 -16.13 -3.01 -9.51 -18.06 -3.98 -9.68 -17.09 -3.50 -9.59 3 0 1000.00 -999 ? >GLU^B 17 -11.88 -5.64 -13.12 -9.82 -4.98 -12.98 -10.85 -5.31 -13.05 2 0 1000.00 -999 ? >LEU^B 18 -17.72 -8.70 -12.59 -19.32 -7.34 -12.24 -18.52 -8.02 -12.42 3 0 1000.00 -999 ? >THR^B 19 -14.90 -11.22 -14.92 -12.81 -11.03 -14.34 -13.85 -11.13 -14.63 2 0 1000.00 -999 ? >GLY.B 20 -15.74 -14.78 -15.95 -16.29 -14.24 -15.96 -16.01 -14.51 -15.96 1 0 1000.00 -999 ? >HIS.B 21 -19.68 -11.84 -15.73 -18.87 -10.10 -16.57 -19.28 -10.97 -16.15 3 0 1000.00 -999 ? >ALA.B 22 -21.30 -13.97 -19.18 -20.40 -12.96 -19.93 -20.85 -13.47 -19.55 2 0 1000.00 -999 ? >GLY.B 23 -21.69 -17.71 -19.41 -21.07 -17.39 -19.35 -21.38 -17.55 -19.38 1 0 1000.00 -999 ? >SER.B 24 -19.55 -20.77 -19.95 -17.55 -21.78 -19.03 -18.55 -21.28 -19.49 2 0 1000.00 -999 ? >GLY.B 25 -22.24 -23.25 -21.03 -21.68 -23.23 -20.45 -21.96 -23.24 -20.74 1 0 1000.00 -999 ? >GLU.B 26 -20.19 -25.76 -16.02 -18.34 -25.20 -15.12 -19.26 -25.48 -15.57 2 0 1000.00 -999 ? >TYR~B 27 -27.67 -25.97 -15.64 -30.07 -25.70 -14.26 -28.87 -25.84 -14.95 3 0 1000.00 -999 ? >GLY~B 28 -24.80 -24.82 -12.62 -24.51 -24.35 -13.27 -24.65 -24.58 -12.94 1 0 1000.00 -999 ? >PHE~B 29 -20.14 -21.05 -14.30 -18.45 -18.82 -14.31 -19.30 -19.93 -14.31 3 0 1000.00 -999 ? >ASP~B 30 -25.03 -20.94 -17.40 -23.47 -21.27 -18.81 -24.25 -21.11 -18.10 2 0 1000.00 -999 ? >ILE~B 31 -27.42 -21.27 -12.35 -28.81 -21.31 -12.47 -28.12 -21.29 -12.41 3 0 1000.00 -999 ? >VAL~B 32 -24.75 -18.19 -11.14 -23.43 -18.96 -9.60 -24.09 -18.57 -10.37 3 0 1000.00 -999 ? >CYH~B 33 -23.62 -16.07 -14.09 -21.46 -17.44 -15.40 -22.54 -16.76 -14.75 2 0 1000.00 -999 ? >ALA~B 34 -27.21 -15.02 -14.78 -28.40 -15.97 -14.86 -27.81 -15.49 -14.82 2 0 1000.00 -999 ? >ALA~B 35 -27.27 -14.07 -11.12 -26.88 -15.01 -9.99 -27.07 -14.54 -10.56 2 0 1000.00 -999 ? >VAL~B 36 -24.10 -11.98 -11.39 -21.95 -12.36 -11.29 -23.03 -12.17 -11.34 3 0 1000.00 -999 ? >SER~B 37 -25.17 -10.33 -14.60 -24.02 -11.44 -16.41 -24.59 -10.88 -15.51 2 0 1000.00 -999 ? >THR~B 38 -28.65 -9.55 -13.32 -30.35 -10.79 -12.90 -29.50 -10.17 -13.11 2 0 1000.00 -999 ? >LEU~B 39 -26.49 -8.36 -9.19 -27.43 -9.39 -7.56 -26.96 -8.88 -8.38 3 0 1000.00 -999 ? >SER~B 40 -24.53 -6.14 -12.57 -22.65 -7.67 -12.79 -23.59 -6.90 -12.68 2 0 1000.00 -999 ? >MET~B 41 -26.82 -4.54 -15.12 -25.53 -4.38 -18.07 -26.17 -4.46 -16.59 2 0 1000.00 -999 ? >ASN~B 42 -30.12 -4.38 -11.48 -31.85 -3.42 -10.63 -30.98 -3.90 -11.05 2 0 1000.00 -999 ? >LEU~B 43 -25.43 -1.97 -10.29 -23.98 -0.97 -9.04 -24.71 -1.47 -9.66 3 0 1000.00 -999 ? >VAL~B 44 -25.77 0.29 -13.91 -24.40 -0.19 -15.54 -25.08 0.05 -14.73 3 0 1000.00 -999 ? >ASN~B 45 -30.41 -0.22 -15.19 -29.98 -1.03 -17.09 -30.19 -0.63 -16.14 2 0 1000.00 -999 ? >ALA~B 46 -30.89 1.78 -11.39 -31.00 0.83 -10.17 -30.94 1.31 -10.78 2 0 1000.00 -999 ? >LEU~B 47 -26.41 3.65 -10.97 -25.01 4.11 -9.40 -25.71 3.88 -10.19 3 0 1000.00 -999 ? >GLU~B 48 -29.06 6.11 -16.65 -27.52 7.54 -17.00 -28.29 6.82 -16.83 2 0 1000.00 -999 ? >VAL~B 49 -32.61 5.82 -13.76 -34.00 4.41 -14.61 -33.31 5.11 -14.18 3 0 1000.00 -999 ? >LEU~B 50 -33.16 5.03 -9.14 -34.99 3.91 -9.24 -34.07 4.47 -9.19 3 0 1000.00 -999 ? >ALA.B 51 -29.66 8.05 -9.02 -28.52 7.20 -8.48 -29.09 7.62 -8.75 2 0 1000.00 -999 ? >ASP.B 52 -29.60 11.61 -11.61 -30.14 12.84 -13.24 -29.87 12.22 -12.43 2 0 1000.00 -999 ? >CYH.B 53 -25.63 8.79 -12.26 -23.36 7.91 -10.89 -24.49 8.35 -11.58 2 0 1000.00 -999 ? >THR.B 54 -24.25 7.64 -15.64 -24.77 8.37 -17.63 -24.51 8.00 -16.64 2 0 1000.00 -999 ? >VAL.B 55 -21.34 5.46 -14.55 -22.14 3.62 -13.68 -21.74 4.54 -14.12 3 0 1000.00 -999 ? >SER^B 56 -18.23 4.71 -16.60 -15.90 4.80 -17.23 -17.07 4.75 -16.91 2 0 1000.00 -999 ? >LEU^B 57 -20.55 1.07 -18.54 -21.48 -0.88 -18.58 -21.01 0.09 -18.56 3 0 1000.00 -999 ? >GLN^B 58 -14.59 -1.31 -20.74 -12.58 -1.48 -20.13 -13.59 -1.40 -20.44 2 0 1000.00 -999 ? >MET^B 59 -18.03 -4.60 -21.14 -22.09 -3.97 -20.56 -20.06 -4.29 -20.85 2 0 1000.00 -999 ? >ASP^B 60 -16.88 -7.56 -24.25 -15.19 -8.08 -23.09 -16.03 -7.82 -23.67 2 0 1000.00 -999 ? >GLU.B 61 -21.48 -10.58 -23.26 -23.49 -11.11 -23.59 -22.49 -10.84 -23.43 2 0 1000.00 -999 ? >PHE.B 62 -13.58 -12.07 -26.07 -11.05 -13.06 -26.80 -12.31 -12.56 -26.43 3 0 1000.00 -999 ? >ASP.B 63 -12.21 -14.70 -23.38 -10.78 -16.25 -23.06 -11.49 -15.48 -23.22 2 0 1000.00 -999 ? >GLY.B 64 -15.90 -15.50 -20.26 -15.80 -14.81 -20.65 -15.85 -15.16 -20.46 1 0 1000.00 -999 ? >GLY.B 65 -16.93 -11.84 -20.14 -16.34 -12.12 -19.85 -16.64 -11.98 -20.00 1 0 1000.00 -999 ? >TYR^B 66 -13.45 -7.21 -18.30 -12.42 -5.00 -16.92 -12.93 -6.10 -17.61 3 0 1000.00 -999 ? >MET^B 67 -17.30 -5.84 -17.02 -21.35 -5.22 -15.99 -19.33 -5.53 -16.50 2 0 1000.00 -999 ? >LYS^B 68 -15.96 -2.81 -15.19 -11.19 1.01 -13.93 -13.57 -0.90 -14.56 2 0 1000.00 -999 ? >ILE^B 69 -19.38 -0.62 -12.81 -20.76 -0.86 -12.71 -20.07 -0.74 -12.76 3 0 1000.00 -999 ? >ASP^B 70 -14.99 3.48 -13.30 -13.31 3.95 -12.12 -14.15 3.71 -12.71 2 0 1000.00 -999 ? >LEU.B 71 -18.31 5.55 -9.26 -20.46 5.56 -9.32 -19.38 5.56 -9.29 3 0 1000.00 -999 ? >SER.B 72 -14.01 7.57 -9.80 -12.51 6.78 -11.55 -13.26 7.17 -10.67 2 0 1000.00 -999 ? >TYR.B 73 -12.77 9.37 -14.40 -10.25 8.37 -15.14 -11.51 8.87 -14.77 3 0 1000.00 -999 ? >ILE.B 74 -18.87 10.24 -11.34 -19.98 9.82 -12.21 -19.43 10.03 -11.77 3 0 1000.00 -999 ? >THR.B 75 -18.36 13.69 -8.25 -17.42 15.48 -8.94 -17.89 14.59 -8.60 2 0 1000.00 -999 ? >ASN.B 76 -22.38 11.87 -9.02 -24.36 12.60 -9.02 -23.37 12.23 -9.02 2 0 1000.00 -999 ? >LYS.B 77 -20.36 8.86 -6.31 -13.99 9.43 -6.24 -17.17 9.15 -6.27 2 0 1000.00 -999 ? >SER.B 78 -20.84 10.44 -2.88 -18.69 11.29 -2.15 -19.77 10.86 -2.51 2 0 1000.00 -999 ? >ASP~B 79 -25.31 11.07 -4.67 -27.42 11.15 -4.40 -26.37 11.11 -4.54 2 0 1000.00 -999 ? >GLU~B 80 -28.39 10.05 -0.41 -27.76 11.89 -1.35 -28.07 10.97 -0.88 2 0 1000.00 -999 ? >LYS~B 81 -28.58 7.30 -3.55 -34.16 10.01 -4.72 -31.37 8.66 -4.14 2 0 1000.00 -999 ? >VAL~B 82 -25.52 6.24 -5.55 -24.13 7.28 -6.86 -24.82 6.76 -6.20 3 0 1000.00 -999 ? >GLN~B 83 -21.83 6.10 -1.86 -20.55 4.56 -2.64 -21.19 5.33 -2.25 2 0 1000.00 -999 ? >LEU~B 84 -28.27 3.73 -0.90 -29.97 2.73 0.03 -29.12 3.23 -0.43 3 0 1000.00 -999 ? >LEU~B 85 -27.80 1.97 -5.87 -29.80 2.44 -6.60 -28.80 2.20 -6.23 3 0 1000.00 -999 ? >PHE~B 86 -21.47 0.88 -5.76 -19.29 0.18 -7.36 -20.38 0.53 -6.56 3 0 1000.00 -999 ? >GLU~B 87 -23.56 0.87 0.20 -21.80 0.58 1.34 -22.68 0.72 0.77 2 0 1000.00 -999 ? >ALA~B 88 -26.92 -3.42 -2.24 -28.26 -2.94 -2.71 -27.59 -3.18 -2.47 2 0 1000.00 -999 ? >PHE~B 89 -23.56 -4.49 -7.37 -22.08 -5.86 -9.29 -22.82 -5.18 -8.33 3 0 1000.00 -999 ? >LEU~B 90 -21.22 -4.45 -2.09 -19.20 -4.67 -1.39 -20.21 -4.56 -1.74 3 0 1000.00 -999 ? >LEU~B 91 -25.58 -6.45 0.17 -26.57 -6.97 2.02 -26.07 -6.71 1.09 3 0 1000.00 -999 ? >GLY~B 92 -25.80 -9.19 -3.47 -25.00 -9.11 -3.32 -25.40 -9.15 -3.40 1 0 1000.00 -999 ? >ILE~B 93 -21.40 -9.29 -5.60 -20.96 -9.78 -7.03 -21.18 -9.53 -6.32 3 0 1000.00 -999 ? >THR~B 94 -21.11 -11.01 -1.45 -20.41 -9.84 0.18 -20.76 -10.42 -0.64 2 0 1000.00 -999 ? >ASN~B 95 -25.37 -13.09 -0.40 -25.82 -11.95 1.34 -25.60 -12.52 0.47 2 0 1000.00 -999 ? >LEU~B 96 -23.79 -14.68 -5.24 -25.70 -14.49 -6.24 -24.74 -14.59 -5.74 3 0 1000.00 -999 ? >ALA~B 97 -19.77 -15.75 -3.42 -18.76 -14.62 -3.50 -19.26 -15.18 -3.46 2 0 1000.00 -999 ? >GLU~B 98 -22.21 -16.09 1.54 -22.53 -14.89 3.27 -22.37 -15.49 2.41 2 0 1000.00 -999 ? >ASN~B 99 -24.65 -18.88 -1.69 -25.67 -17.65 -0.26 -25.16 -18.26 -0.98 2 0 1000.00 -999 ? >SER~B 100 -21.14 -20.70 -4.04 -23.13 -21.26 -5.29 -22.14 -20.98 -4.66 2 0 1000.00 -999 ? >PRO.B 101 -17.88 -21.50 -1.42 -18.20 -20.18 -3.16 -18.04 -20.84 -2.29 3 0 1000.00 -999 ? >GLU.B 102 -19.32 -23.85 -6.01 -20.46 -23.76 -4.23 -19.89 -23.81 -5.12 2 0 1000.00 -999 ? >PHE.B 103 -19.96 -22.14 -9.59 -20.59 -24.62 -10.69 -20.28 -23.38 -10.14 3 0 1000.00 -999 ? >VAL^B 104 -17.84 -17.08 -7.16 -19.59 -15.80 -7.33 -18.72 -16.44 -7.25 3 0 1000.00 -999 ? >THR^B 105 -15.09 -15.01 -5.61 -13.17 -15.93 -5.80 -14.13 -15.47 -5.70 2 0 1000.00 -999 ? >ALA^B 106 -15.70 -11.53 -4.24 -17.06 -11.24 -3.64 -16.38 -11.39 -3.94 2 0 1000.00 -999 ? >LYS^B 107 -12.79 -9.40 -3.17 -8.26 -12.96 -5.70 -10.52 -11.18 -4.44 2 0 1000.00 -999 ? >ILE^B 108 -13.77 -5.65 -0.66 -15.07 -5.14 -0.24 -14.42 -5.39 -0.45 3 0 1000.00 -999 ? >MET^B 109 -9.71 -3.61 -1.82 -8.18 -6.15 -3.26 -8.95 -4.88 -2.54 2 0 1000.00 -999 ? >THR^B 110 -9.90 -0.89 0.81 -10.10 -2.00 2.66 -10.00 -1.44 1.73 2 0 1000.00 -999 ? >GLN^B 111 -8.28 2.54 -2.22 -7.41 2.34 -4.16 -7.84 2.44 -3.19 2 0 1000.00 -999 ? >MET.C -4 -31.84 11.28 0.90 -33.70 11.53 3.58 -32.77 11.41 2.24 2 0 1000.00 -999 ? >GLY.C -3 -28.73 10.16 2.78 -28.96 10.94 2.40 -28.85 10.55 2.59 1 0 1000.00 -999 ? >ARG.C -2 -25.58 13.91 0.28 -22.58 13.95 -0.39 -24.08 13.93 -0.05 2 0 1000.00 -999 ? >GLY.C -1 -28.84 15.05 5.50 -28.36 14.26 5.44 -28.60 14.65 5.47 1 0 1000.00 -999 ? >SER.C 0 -26.76 12.64 7.63 -25.22 11.98 5.93 -25.99 12.31 6.78 2 0 1000.00 -999 ? >MET.C 1 -25.25 13.81 10.92 -22.73 16.13 12.03 -23.99 14.97 11.48 2 0 1000.00 -999 ? >ILE^C 2 -24.83 11.22 14.99 -24.95 9.76 15.38 -24.89 10.49 15.19 3 0 1000.00 -999 ? >GLN^C 3 -27.71 17.30 17.64 -26.05 18.58 18.03 -26.88 17.94 17.84 2 0 1000.00 -999 ? >ALA^C 4 -25.57 14.53 20.62 -24.34 13.68 20.95 -24.95 14.10 20.78 2 0 1000.00 -999 ? >THR^C 5 -26.94 17.16 22.98 -28.27 18.74 22.28 -27.60 17.95 22.63 2 0 1000.00 -999 ? >PHE^C 6 -23.85 15.21 26.39 -23.05 12.69 25.52 -23.45 13.95 25.96 3 0 1000.00 -999 ? >ILE^C 7 -28.70 18.62 29.90 -29.94 19.44 30.12 -29.32 19.03 30.01 3 0 1000.00 -999 ? >ARG^C 8 -21.09 19.02 33.25 -19.29 16.57 32.86 -20.19 17.80 33.06 2 0 1000.00 -999 ? >ARG^C 9 -30.28 20.80 35.83 -32.48 19.43 34.20 -31.38 20.11 35.01 2 0 1000.00 -999 ? >LYS.C 10 -24.62 21.31 39.04 -29.94 23.12 41.90 -27.28 22.21 40.47 2 0 1000.00 -999 ? >GLY.C 11 -21.45 19.60 37.96 -22.15 19.31 37.83 -21.80 19.45 37.90 1 0 1000.00 -999 ? >ILE^C 12 -23.72 15.62 37.96 -24.36 15.42 39.15 -24.04 15.52 38.56 3 0 1000.00 -999 ? >LEU^C 13 -23.79 13.93 32.71 -22.07 14.41 31.48 -22.93 14.17 32.09 3 0 1000.00 -999 ? >GLU^C 14 -28.94 16.14 36.04 -30.62 17.17 36.82 -29.78 16.66 36.43 2 0 1000.00 -999 ? >SER^C 15 -29.33 13.75 30.46 -30.54 15.72 29.64 -29.94 14.73 30.05 2 0 1000.00 -999 ? >VAL^C 16 -28.38 13.21 26.83 -27.12 11.56 26.09 -27.75 12.39 26.46 3 0 1000.00 -999 ? >GLU^C 17 -32.62 14.26 22.78 -34.04 15.78 23.04 -33.33 15.02 22.91 2 0 1000.00 -999 ? >LEU^C 18 -28.34 10.57 20.40 -26.74 9.96 21.69 -27.54 10.26 21.04 3 0 1000.00 -999 ? >THR^C 19 -30.60 12.18 16.88 -31.73 13.91 16.22 -31.16 13.05 16.55 2 0 1000.00 -999 ? >GLY.C 20 -29.91 10.96 13.35 -29.72 10.50 13.95 -29.81 10.73 13.65 1 0 1000.00 -999 ? >HIS.C 21 -28.80 7.26 16.55 -30.44 7.27 17.87 -29.62 7.26 17.21 3 0 1000.00 -999 ? >ALA.C 22 -30.55 5.17 12.41 -31.96 5.48 11.91 -31.25 5.32 12.16 2 0 1000.00 -999 ? >GLY.C 23 -28.05 5.05 9.56 -28.78 5.48 9.46 -28.41 5.27 9.51 1 0 1000.00 -999 ? >SER.C 24 -28.43 5.88 5.89 -26.48 7.11 5.19 -27.46 6.49 5.54 2 0 1000.00 -999 ? >GLY.C 25 -27.35 2.70 4.13 -26.84 3.33 4.32 -27.09 3.01 4.22 1 0 1000.00 -999 ? >GLU~C 26 -24.20 6.80 2.48 -24.09 8.87 2.95 -24.14 7.83 2.71 2 0 1000.00 -999 ? >TYR~C 27 -18.76 1.32 4.49 -16.50 0.27 5.78 -17.63 0.79 5.14 3 0 1000.00 -999 ? >GLY~C 28 -19.07 5.39 6.08 -19.80 5.20 6.23 -19.44 5.30 6.16 1 0 1000.00 -999 ? >PHE~C 29 -24.12 8.37 8.17 -26.10 9.28 9.93 -25.11 8.82 9.05 3 0 1000.00 -999 ? >ASP~C 30 -24.05 2.91 8.30 -25.85 3.55 7.41 -24.95 3.23 7.85 2 0 1000.00 -999 ? >ILE~C 31 -18.68 2.89 9.80 -18.14 1.54 9.94 -18.41 2.22 9.87 3 0 1000.00 -999 ? >VAL~C 32 -20.31 5.85 12.73 -19.48 7.81 12.39 -19.90 6.83 12.56 3 0 1000.00 -999 ? >CYH~C 33 -23.96 5.15 13.49 -25.48 6.36 11.49 -24.72 5.75 12.49 2 0 1000.00 -999 ? >ALA~C 34 -23.02 1.73 14.88 -22.38 0.60 14.06 -22.70 1.16 14.47 2 0 1000.00 -999 ? >ALA~C 35 -20.35 3.28 17.09 -19.21 4.16 16.62 -19.78 3.72 16.86 2 0 1000.00 -999 ? >VAL~C 36 -22.73 5.84 18.53 -23.34 7.83 17.89 -23.04 6.84 18.21 3 0 1000.00 -999 ? >SER~C 37 -25.44 3.19 18.93 -26.69 3.04 16.84 -26.06 3.12 17.89 2 0 1000.00 -999 ? >THR~C 38 -23.25 0.75 20.86 -21.79 -0.77 20.38 -22.52 -0.01 20.62 2 0 1000.00 -999 ? >LEU~C 39 -21.23 4.76 22.84 -19.06 4.66 22.86 -20.15 4.71 22.85 3 0 1000.00 -999 ? >SER~C 40 -25.61 4.47 23.76 -26.26 6.16 22.19 -25.94 5.32 22.97 2 0 1000.00 -999 ? >MET~C 41 -26.91 1.00 24.56 -29.80 0.13 23.86 -28.36 0.56 24.21 2 0 1000.00 -999 ? >ASN~C 42 -22.39 0.32 26.27 -21.16 -0.78 27.61 -21.78 -0.23 26.94 2 0 1000.00 -999 ? >LEU~C 43 -24.73 4.77 28.22 -24.70 6.55 29.45 -24.71 5.66 28.84 3 0 1000.00 -999 ? >VAL~C 44 -28.08 2.25 29.18 -30.01 2.35 28.13 -29.05 2.30 28.66 3 0 1000.00 -999 ? >ASN~C 45 -26.51 -2.35 29.01 -28.13 -2.93 27.74 -27.32 -2.64 28.37 2 0 1000.00 -999 ? >ALA~C 46 -23.87 -0.60 32.13 -22.62 0.15 31.70 -23.24 -0.22 31.92 2 0 1000.00 -999 ? >LEU~C 47 -26.67 3.08 33.60 -26.11 5.15 33.76 -26.39 4.12 33.68 3 0 1000.00 -999 ? >GLU~C 48 -30.36 -2.24 34.41 -32.33 -1.85 33.81 -31.34 -2.05 34.11 2 0 1000.00 -999 ? >VAL~C 49 -26.41 -3.74 35.55 -26.22 -5.42 34.19 -26.32 -4.58 34.87 3 0 1000.00 -999 ? >LEU~C 50 -22.08 -1.95 36.24 -21.04 -3.17 34.82 -21.56 -2.56 35.53 3 0 1000.00 -999 ? >ALA~C 51 -24.65 0.83 38.96 -24.23 2.12 38.26 -24.44 1.48 38.61 2 0 1000.00 -999 ? >ASP~C 52 -28.19 -0.24 41.47 -29.01 -2.10 42.00 -28.60 -1.17 41.73 2 0 1000.00 -999 ? >CYH.C 53 -29.41 2.97 38.00 -29.06 5.57 37.10 -29.23 4.27 37.55 2 0 1000.00 -999 ? >THR.C 54 -32.47 2.43 35.90 -34.38 1.66 36.50 -33.42 2.04 36.20 2 0 1000.00 -999 ? >VAL.C 55 -32.54 5.27 33.36 -31.20 5.84 31.73 -31.87 5.55 32.55 3 0 1000.00 -999 ? >SER^C 56 -35.71 6.80 31.91 -37.08 8.69 31.32 -36.40 7.74 31.62 2 0 1000.00 -999 ? >LEU^C 57 -34.58 4.38 28.05 -33.37 3.97 26.32 -33.97 4.18 27.19 3 0 1000.00 -999 ? >GLN^C 58 -38.61 9.19 24.37 -40.40 8.05 24.12 -39.50 8.62 24.24 2 0 1000.00 -999 ? >MET^C 59 -36.43 5.78 21.97 -33.76 2.68 21.93 -35.10 4.23 21.95 2 0 1000.00 -999 ? >ASP^C 60 -38.10 7.11 18.12 -39.25 7.26 16.36 -38.67 7.18 17.24 2 0 1000.00 -999 ? >GLU.C 61 -35.49 1.64 14.10 -33.41 2.05 14.14 -34.45 1.84 14.12 2 0 1000.00 -999 ? >PHE.C 62 -39.86 6.29 13.10 -41.98 7.11 14.77 -40.92 6.70 13.94 3 0 1000.00 -999 ? >ASP.C 63 -38.05 10.50 12.09 -40.10 10.36 11.51 -39.08 10.43 11.80 2 0 1000.00 -999 ? >GLY.C 64 -33.38 9.14 11.54 -33.89 8.81 12.13 -33.63 8.98 11.84 1 0 1000.00 -999 ? >GLY.C 65 -33.65 7.52 14.93 -33.75 8.32 14.78 -33.70 7.92 14.85 1 0 1000.00 -999 ? >TYR^C 66 -35.70 10.81 19.62 -35.88 12.30 21.99 -35.79 11.55 20.81 3 0 1000.00 -999 ? >MET^C 67 -33.13 8.61 21.75 -30.21 5.82 22.68 -31.67 7.22 22.21 2 0 1000.00 -999 ? >LYS^C 68 -33.16 10.23 25.12 -36.42 14.68 28.16 -34.79 12.45 26.64 2 0 1000.00 -999 ? >ILE^C 69 -29.94 8.35 28.11 -29.01 7.24 28.07 -29.47 7.80 28.09 3 0 1000.00 -999 ? >ASP^C 70 -33.65 11.66 31.10 -33.85 13.24 32.46 -33.75 12.45 31.78 2 0 1000.00 -999 ? >LEU.C 71 -29.80 10.42 35.24 -28.98 8.44 35.14 -29.39 9.43 35.19 3 0 1000.00 -999 ? >SER.C 72 -32.79 14.03 35.83 -32.60 15.63 34.00 -32.70 14.83 34.92 2 0 1000.00 -999 ? >TYR.C 73 -37.53 13.30 36.74 -38.69 15.69 35.84 -38.11 14.49 36.29 3 0 1000.00 -999 ? >ILE.C 74 -32.49 8.42 38.40 -33.29 7.20 38.17 -32.89 7.81 38.29 3 0 1000.00 -999 ? >THR~C 75 -32.07 9.11 42.73 -33.26 8.39 44.38 -32.67 8.75 43.56 2 0 1000.00 -999 ? >ASN~C 76 -28.00 6.55 42.62 -29.14 5.15 41.49 -28.57 5.85 42.06 2 0 1000.00 -999 ? >LYS~C 77 -28.17 10.29 39.43 -31.26 15.74 39.83 -29.72 13.01 39.63 2 0 1000.00 -999 ? >SER~C 78 -25.35 11.92 41.35 -26.14 12.25 43.62 -25.75 12.08 42.49 2 0 1000.00 -999 ? >ASP~C 79 -24.73 7.17 42.01 -23.80 5.51 42.89 -24.26 6.34 42.45 2 0 1000.00 -999 ? >GLU~C 80 -19.34 8.66 44.03 -19.28 10.76 43.73 -19.31 9.71 43.88 2 0 1000.00 -999 ? >LYS~C 81 -20.33 5.09 39.48 -17.46 5.18 39.35 -18.89 5.14 39.41 2 0 1000.00 -999 ? >VAL~C 82 -23.29 6.48 37.54 -25.43 6.67 37.86 -24.36 6.58 37.70 3 0 1000.00 -999 ? >GLN~C 83 -22.10 11.60 38.06 -23.22 12.49 36.52 -22.66 12.04 37.29 2 0 1000.00 -999 ? >LEU~C 84 -17.59 6.75 36.44 -15.61 5.91 36.22 -16.60 6.33 36.33 3 0 1000.00 -999 ? >LEU~C 85 -21.24 4.65 33.43 -20.82 2.58 33.90 -21.03 3.62 33.66 3 0 1000.00 -999 ? >PHE~C 86 -24.10 10.24 31.88 -26.15 11.41 30.35 -25.13 10.83 31.12 3 0 1000.00 -999 ? >GLU~C 87 -18.67 12.08 33.71 -18.09 14.09 33.38 -18.38 13.09 33.54 2 0 1000.00 -999 ? >ALA~C 88 -17.20 7.85 29.79 -17.13 6.45 30.23 -17.16 7.15 30.01 2 0 1000.00 -999 ? >PHE~C 89 -22.52 7.89 26.62 -24.20 8.34 24.44 -23.36 8.11 25.53 3 0 1000.00 -999 ? >LEU~C 90 -19.47 12.61 27.80 -19.55 14.69 27.20 -19.51 13.65 27.50 3 0 1000.00 -999 ? >LEU~C 91 -14.64 10.30 27.00 -12.51 10.62 27.24 -13.58 10.46 27.12 3 0 1000.00 -999 ? >GLY~C 92 -16.40 8.52 23.33 -16.76 9.27 23.45 -16.58 8.89 23.39 1 0 1000.00 -999 ? >ILE~C 93 -20.44 11.02 22.49 -21.46 10.58 21.55 -20.95 10.80 22.02 3 0 1000.00 -999 ? >THR~C 94 -16.94 13.62 22.08 -16.35 14.92 23.71 -16.65 14.27 22.89 2 0 1000.00 -999 ? >ASN~C 95 -13.07 10.86 21.23 -11.81 11.74 22.68 -12.44 11.30 21.95 2 0 1000.00 -999 ? >LEU~C 96 -17.51 9.81 18.17 -17.63 7.67 18.36 -17.57 8.74 18.27 3 0 1000.00 -999 ? >ALA~C 97 -17.29 13.97 16.99 -18.12 14.85 17.93 -17.70 14.41 17.46 2 0 1000.00 -999 ? >GLU~C 98 -11.63 15.82 18.34 -11.10 16.12 20.39 -11.36 15.97 19.37 2 0 1000.00 -999 ? >ASN~C 99 -12.46 10.84 14.58 -11.69 10.45 16.51 -12.07 10.64 15.55 2 0 1000.00 -999 ? >SER~C 100 -15.77 12.31 12.14 -15.60 9.89 11.86 -15.69 11.10 12.00 2 0 1000.00 -999 ? >PRO.C 101 -14.82 16.43 12.56 -16.72 15.30 12.34 -15.77 15.86 12.45 3 0 1000.00 -999 ? >GLU.C 102 -18.22 13.30 7.72 -16.40 12.57 8.45 -17.31 12.93 8.09 2 0 1000.00 -999 ? >PHE.C 103 -20.46 10.98 9.17 -19.78 10.50 6.51 -20.12 10.74 7.84 3 0 1000.00 -999 ? >VAL^C 104 -21.21 13.60 14.57 -20.99 11.95 15.98 -21.10 12.77 15.28 3 0 1000.00 -999 ? >THR^C 105 -21.52 16.69 16.71 -22.06 18.55 15.74 -21.79 17.62 16.22 2 0 1000.00 -999 ? >ALA^C 106 -21.67 16.93 20.50 -20.67 16.06 21.29 -21.17 16.50 20.90 2 0 1000.00 -999 ? >LYS^C 107 -22.98 19.83 22.58 -26.50 23.32 20.36 -24.74 21.58 21.47 2 0 1000.00 -999 ? >ILE^C 108 -21.59 19.85 27.10 -20.58 19.03 27.61 -21.08 19.44 27.35 3 0 1000.00 -999 ? >MET^C 109 -25.48 22.50 27.89 -28.79 22.91 25.35 -27.14 22.70 26.62 2 0 1000.00 -999 ? >THR^C 110 -24.84 23.57 31.49 -22.82 24.27 31.47 -23.83 23.92 31.48 2 0 1000.00 -999 ? >GLN.C 111 -28.66 23.51 32.43 -30.60 23.11 31.71 -29.63 23.31 32.07 2 0 1000.00 -999 ? >GLY.D -1 -13.84 -16.80 7.59 -13.86 -16.57 8.40 -13.85 -16.68 7.99 1 0 1000.00 -999 ? >SER.D 0 -14.53 -13.31 8.97 -15.80 -11.51 7.89 -15.16 -12.41 8.43 2 0 1000.00 -999 ? >MET.D 1 -14.50 -13.56 12.79 -16.86 -15.29 14.69 -15.68 -14.43 13.74 2 0 1000.00 -999 ? >ILE^D 2 -14.59 -9.94 16.06 -14.63 -8.43 16.18 -14.61 -9.19 16.12 3 0 1000.00 -999 ? >GLN^D 3 -10.94 -14.44 17.71 -12.58 -15.73 18.11 -11.76 -15.08 17.91 2 0 1000.00 -999 ? >ALA^D 4 -12.62 -11.05 22.39 -13.92 -10.31 22.69 -13.27 -10.68 22.54 2 0 1000.00 -999 ? >THR^D 5 -10.70 -12.87 25.10 -9.53 -14.64 24.73 -10.12 -13.75 24.92 2 0 1000.00 -999 ? >PHE^D 6 -13.08 -10.03 28.42 -14.20 -7.88 27.03 -13.64 -8.95 27.72 3 0 1000.00 -999 ? >ILE^D 7 -7.39 -12.35 31.48 -6.10 -12.93 31.21 -6.75 -12.64 31.34 3 0 1000.00 -999 ? >ARG^D 8 -13.77 -12.45 36.77 -15.12 -9.89 35.72 -14.45 -11.17 36.24 2 0 1000.00 -999 ? >ARG^D 9 -4.14 -12.77 36.77 -2.99 -11.67 34.13 -3.56 -12.22 35.45 2 0 1000.00 -999 ? >LYS.D 10 -9.53 -12.75 41.44 -6.99 -13.01 46.18 -8.26 -12.88 43.81 2 0 1000.00 -999 ? >GLY.D 11 -12.78 -11.35 40.11 -12.06 -10.99 39.93 -12.42 -11.17 40.02 1 0 1000.00 -999 ? >ILE.D 12 -10.09 -7.57 39.34 -9.15 -7.36 40.24 -9.62 -7.47 39.79 3 0 1000.00 -999 ? >LEU^D 13 -11.45 -7.22 33.82 -13.32 -8.13 33.24 -12.39 -7.68 33.53 3 0 1000.00 -999 ? >GLU^D 14 -6.11 -8.85 35.95 -4.53 -8.93 37.34 -5.32 -8.89 36.65 2 0 1000.00 -999 ? >SER^D 15 -6.27 -8.18 30.32 -4.69 -9.26 28.78 -5.48 -8.72 29.55 2 0 1000.00 -999 ? >VAL^D 16 -8.08 -8.62 27.00 -9.58 -7.13 26.40 -8.83 -7.88 26.70 3 0 1000.00 -999 ? >GLU^D 17 -4.82 -11.27 23.25 -4.07 -13.16 22.54 -4.44 -12.21 22.90 2 0 1000.00 -999 ? >LEU^D 18 -9.25 -7.06 20.47 -10.90 -6.23 21.58 -10.08 -6.65 21.02 3 0 1000.00 -999 ? >THR^D 19 -8.64 -10.03 16.94 -7.29 -11.71 16.70 -7.97 -10.87 16.82 2 0 1000.00 -999 ? >GLY.D 20 -10.76 -9.82 13.82 -10.46 -9.12 14.05 -10.61 -9.47 13.93 1 0 1000.00 -999 ? >HIS.D 21 -10.73 -5.32 15.94 -8.87 -5.01 16.87 -9.80 -5.16 16.41 3 0 1000.00 -999 ? >ALA.D 22 -10.39 -3.78 11.48 -8.99 -4.43 11.41 -9.69 -4.11 11.45 2 0 1000.00 -999 ? >GLY.D 23 -12.91 -4.97 8.93 -12.22 -5.15 8.88 -12.57 -5.06 8.91 1 0 1000.00 -999 ? >SER.D 24 -13.01 -6.42 5.46 -15.18 -7.50 5.24 -14.09 -6.96 5.35 2 0 1000.00 -999 ? >GLY.D 25 -14.83 -3.47 3.91 -15.20 -4.27 4.11 -15.01 -3.87 4.01 1 0 1000.00 -999 ? >GLU.D 26 -18.13 -8.21 3.58 -18.69 -9.94 4.66 -18.41 -9.08 4.12 2 0 1000.00 -999 ? >TYR~D 27 -22.63 -2.26 5.01 -24.57 -0.58 6.17 -23.60 -1.42 5.59 3 0 1000.00 -999 ? >GLY~D 28 -22.31 -6.09 7.64 -21.44 -5.84 7.58 -21.88 -5.96 7.61 1 0 1000.00 -999 ? >PHE~D 29 -16.81 -8.50 9.47 -14.80 -9.32 11.22 -15.80 -8.91 10.35 3 0 1000.00 -999 ? >ASP~D 30 -17.15 -2.84 8.27 -15.50 -3.59 7.16 -16.33 -3.22 7.71 2 0 1000.00 -999 ? >ILE~D 31 -21.84 -1.99 11.13 -23.00 -2.19 10.36 -22.42 -2.09 10.75 3 0 1000.00 -999 ? >VAL~D 32 -19.84 -4.73 14.09 -20.69 -6.72 14.29 -20.27 -5.72 14.19 3 0 1000.00 -999 ? >CYH~D 33 -16.09 -4.12 13.91 -15.09 -5.83 11.86 -15.59 -4.98 12.88 2 0 1000.00 -999 ? >ALA~D 34 -16.60 -0.40 14.49 -17.29 0.55 13.52 -16.94 0.08 14.01 2 0 1000.00 -999 ? >ALA~D 35 -18.87 -1.37 17.35 -20.13 -2.23 17.22 -19.50 -1.80 17.28 2 0 1000.00 -999 ? >VAL~D 36 -16.21 -3.39 19.17 -15.56 -5.24 18.16 -15.89 -4.32 18.67 3 0 1000.00 -999 ? >SER~D 37 -13.46 -0.99 18.18 -12.20 -1.51 16.18 -12.83 -1.25 17.18 2 0 1000.00 -999 ? >THR~D 38 -15.35 1.90 19.73 -16.94 3.20 19.13 -16.15 2.55 19.43 2 0 1000.00 -999 ? >LEU~D 39 -16.62 -1.23 23.24 -18.72 -1.31 23.77 -17.67 -1.27 23.51 3 0 1000.00 -999 ? >SER~D 40 -12.18 -0.84 22.94 -12.19 -2.98 21.83 -12.18 -1.91 22.39 2 0 1000.00 -999 ? >MET~D 41 -10.69 2.51 22.15 -8.05 2.81 20.84 -9.37 2.66 21.50 2 0 1000.00 -999 ? >ASN~D 42 -14.66 4.13 24.44 -15.59 5.68 25.59 -15.12 4.91 25.01 2 0 1000.00 -999 ? >LEU~D 43 -11.87 0.32 27.28 -11.66 -0.96 29.03 -11.77 -0.32 28.16 3 0 1000.00 -999 ? >VAL~D 44 -8.39 3.02 27.00 -6.76 2.34 25.72 -7.57 2.68 26.36 3 0 1000.00 -999 ? >ASN~D 45 -9.89 7.53 25.89 -9.41 6.87 23.95 -9.65 7.20 24.92 2 0 1000.00 -999 ? >ALA~D 46 -11.84 6.59 29.70 -13.08 5.71 29.70 -12.46 6.15 29.70 2 0 1000.00 -999 ? >LEU~D 47 -8.64 3.38 31.39 -9.24 1.40 32.05 -8.94 2.39 31.72 3 0 1000.00 -999 ? >GLU~D 48 -4.73 8.45 29.64 -3.07 8.19 30.93 -3.90 8.32 30.28 2 0 1000.00 -999 ? >VAL~D 49 -8.93 10.16 31.55 -9.67 11.39 29.92 -9.30 10.78 30.74 3 0 1000.00 -999 ? >LEU~D 50 -12.78 8.52 33.68 -14.06 9.70 32.40 -13.42 9.11 33.04 3 0 1000.00 -999 ? >ALA~D 51 -9.41 6.48 36.17 -9.61 5.00 35.87 -9.51 5.74 36.02 2 0 1000.00 -999 ? >ASP.D 52 -5.69 9.00 36.74 -3.79 9.90 36.52 -4.74 9.45 36.63 2 0 1000.00 -999 ? >CYH.D 53 -4.86 4.84 34.25 -5.45 2.09 34.42 -5.16 3.46 34.33 2 0 1000.00 -999 ? >THR.D 54 -2.23 4.48 31.56 -0.70 5.97 31.20 -1.47 5.22 31.38 2 0 1000.00 -999 ? >VAL.D 55 -2.78 0.90 30.32 -4.75 0.78 29.38 -3.76 0.84 29.85 3 0 1000.00 -999 ? >SER^D 56 -0.33 -1.45 28.62 1.00 -3.44 28.36 0.34 -2.45 28.49 2 0 1000.00 -999 ? >LEU^D 57 -2.05 0.09 24.56 -3.54 0.55 23.06 -2.79 0.32 23.81 3 0 1000.00 -999 ? >GLN^D 58 1.04 -4.90 21.09 1.64 -6.92 21.28 1.34 -5.91 21.18 2 0 1000.00 -999 ? >MET^D 59 -2.34 -2.23 18.50 -4.38 1.21 19.50 -3.36 -0.51 19.00 2 0 1000.00 -999 ? >ASP^D 60 -0.98 -3.70 14.55 -1.30 -5.77 14.46 -1.14 -4.74 14.50 2 0 1000.00 -999 ? >GLU.D 61 -5.50 -1.17 12.10 -5.74 0.66 11.07 -5.62 -0.26 11.58 2 0 1000.00 -999 ? >PHE.D 62 -0.42 -7.39 9.29 0.64 -9.22 7.45 0.11 -8.30 8.37 3 0 1000.00 -999 ? >ASP.D 63 -3.42 -10.20 8.55 -4.37 -12.05 8.09 -3.89 -11.12 8.32 2 0 1000.00 -999 ? >GLY.D 64 -7.47 -8.29 10.60 -6.79 -7.94 10.81 -7.13 -8.11 10.70 1 0 1000.00 -999 ? >GLY.D 65 -5.76 -6.33 13.37 -5.91 -7.07 13.38 -5.84 -6.70 13.38 1 0 1000.00 -999 ? >TYR^D 66 -3.18 -8.42 18.37 -2.38 -9.36 20.89 -2.78 -8.89 19.63 3 0 1000.00 -999 ? >MET^D 67 -5.26 -5.31 20.25 -7.97 -2.23 21.13 -6.61 -3.77 20.69 2 0 1000.00 -999 ? >LYS^D 68 -4.21 -6.07 23.78 -0.10 -9.62 26.87 -2.16 -7.85 25.33 2 0 1000.00 -999 ? >ILE^D 69 -6.79 -3.47 26.80 -7.82 -2.55 26.65 -7.30 -3.01 26.72 3 0 1000.00 -999 ? >ASP^D 70 -1.95 -5.63 29.48 -1.63 -7.43 30.53 -1.79 -6.53 30.01 2 0 1000.00 -999 ? >LEU.D 71 -4.96 -3.90 33.99 -6.33 -2.29 33.59 -5.65 -3.10 33.79 3 0 1000.00 -999 ? >SER.D 72 -1.48 -7.02 34.86 -0.02 -8.17 33.30 -0.75 -7.60 34.08 2 0 1000.00 -999 ? >TYR.D 73 3.22 -5.58 33.84 4.49 -7.55 32.27 3.85 -6.56 33.05 3 0 1000.00 -999 ? >ILE.D 74 -1.71 -1.20 35.93 -2.16 -0.05 35.11 -1.94 -0.62 35.52 3 0 1000.00 -999 ? >THR.D 75 -1.03 -1.46 40.57 0.26 -0.89 42.21 -0.38 -1.17 41.39 2 0 1000.00 -999 ? >ASN.D 76 -3.79 1.86 39.37 -5.22 3.42 39.47 -4.51 2.64 39.42 2 0 1000.00 -999 ? >LYS.D 77 -5.93 -2.07 38.24 -2.63 -7.21 39.16 -4.28 -4.64 38.70 2 0 1000.00 -999 ? >SER.D 78 -8.32 -2.80 41.12 -6.86 -4.38 42.15 -7.59 -3.59 41.64 2 0 1000.00 -999 ? >ASP~D 79 -8.84 1.88 40.52 -9.15 3.77 41.30 -9.00 2.82 40.91 2 0 1000.00 -999 ? >GLU~D 80 -15.59 1.60 42.61 -16.59 2.57 44.21 -16.09 2.08 43.41 2 0 1000.00 -999 ? >LYS~D 81 -13.38 3.51 38.57 -12.80 9.70 40.03 -13.09 6.61 39.30 2 0 1000.00 -999 ? >VAL~D 82 -11.00 1.25 36.62 -8.87 0.79 36.72 -9.94 1.02 36.67 3 0 1000.00 -999 ? >GLN~D 83 -11.67 -3.41 38.80 -11.03 -4.77 37.29 -11.35 -4.09 38.05 2 0 1000.00 -999 ? >LEU~D 84 -16.82 0.96 37.15 -18.84 1.62 37.50 -17.83 1.29 37.32 3 0 1000.00 -999 ? >LEU~D 85 -14.18 1.90 32.82 -14.41 4.03 32.71 -14.29 2.96 32.76 3 0 1000.00 -999 ? >PHE~D 86 -11.60 -3.90 32.34 -9.88 -5.41 30.75 -10.74 -4.65 31.55 3 0 1000.00 -999 ? >GLU~D 87 -16.47 -5.23 35.92 -16.56 -7.36 35.87 -16.52 -6.30 35.89 2 0 1000.00 -999 ? >ALA~D 88 -18.98 -2.10 31.41 -19.10 -0.60 31.57 -19.04 -1.35 31.49 2 0 1000.00 -999 ? >PHE~D 89 -14.43 -3.12 27.32 -13.27 -4.06 24.95 -13.85 -3.59 26.14 3 0 1000.00 -999 ? >LEU~D 90 -16.92 -7.39 30.30 -16.94 -9.56 30.24 -16.93 -8.47 30.27 3 0 1000.00 -999 ? >LEU~D 91 -21.54 -5.09 30.31 -23.60 -4.95 30.94 -22.57 -5.02 30.63 3 0 1000.00 -999 ? >GLY~D 92 -20.58 -4.27 25.97 -20.31 -5.02 26.12 -20.44 -4.64 26.04 1 0 1000.00 -999 ? >ILE~D 93 -17.06 -7.25 24.29 -16.54 -6.88 23.70 -16.80 -7.06 24.00 3 0 1000.00 -999 ? >THR~D 94 -20.84 -9.47 25.37 -21.29 -10.38 27.24 -21.06 -9.92 26.31 2 0 1000.00 -999 ? >ASN~D 95 -24.81 -6.89 24.53 -24.86 -6.93 26.67 -24.83 -6.91 25.60 2 0 1000.00 -999 ? >LEU~D 96 -21.08 -6.69 20.44 -20.70 -4.76 19.59 -20.89 -5.73 20.02 3 0 1000.00 -999 ? >ALA~D 97 -21.43 -11.16 20.69 -20.40 -11.75 21.65 -20.92 -11.45 21.17 2 0 1000.00 -999 ? >GLU~D 98 -26.72 -13.01 23.51 -26.40 -15.12 23.43 -26.56 -14.06 23.47 2 0 1000.00 -999 ? >ASN~D 99 -26.46 -8.81 19.27 -28.32 -8.24 20.08 -27.39 -8.52 19.68 2 0 1000.00 -999 ? >SER~D 100 -24.10 -10.93 16.15 -23.78 -8.54 16.27 -23.94 -9.74 16.21 2 0 1000.00 -999 ? >PRO.D 101 -24.75 -15.15 16.82 -23.01 -13.81 16.80 -23.88 -14.48 16.81 3 0 1000.00 -999 ? >GLU.D 102 -23.10 -12.93 11.99 -24.73 -12.43 13.28 -23.91 -12.68 12.63 2 0 1000.00 -999 ? >PHE.D 103 -20.09 -10.65 11.73 -21.33 -10.51 9.21 -20.71 -10.58 10.47 3 0 1000.00 -999 ? >VAL^D 104 -18.18 -11.95 17.28 -18.16 -9.95 18.12 -18.17 -10.95 17.70 3 0 1000.00 -999 ? >THR^D 105 -17.24 -14.41 20.04 -16.90 -16.29 19.05 -17.07 -15.35 19.55 2 0 1000.00 -999 ? >ALA^D 106 -16.29 -13.51 23.63 -17.17 -12.54 24.44 -16.73 -13.02 24.04 2 0 1000.00 -999 ? >LYS^D 107 -14.20 -15.73 25.91 -15.77 -18.40 22.16 -14.98 -17.06 24.04 2 0 1000.00 -999 ? >ILE^D 108 -14.42 -14.67 30.50 -15.21 -13.61 31.10 -14.82 -14.14 30.80 3 0 1000.00 -999 ? >MET^D 109 -10.55 -17.22 31.14 -6.80 -18.25 31.98 -8.67 -17.74 31.56 2 0 1000.00 -999 ? >THR^D 110 -10.66 -16.94 34.93 -12.54 -16.65 35.94 -11.60 -16.79 35.44 2 0 1000.00 -999 ? >GLN^D 111 -6.03 -16.31 36.26 -4.27 -16.36 35.05 -5.15 -16.33 35.65 2 0 1000.00 -999 ?