REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-AUG-07 2QZG COMPND CONSERVED UNCHARACTERIZED ARCHAEAL PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCOCCUS MARIPALUDIS S2; SOURCE 3 ORGANISM_TAXID: 267377; SOURCE 4 STRAIN: S2, LL; SOURCE 5 GENE: MMP1188; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR C.CHANG,V.PEREZ,L.VOLKART,L.FREEMAN,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 19 8 HET MSE A 71 8 HET MSE B 19 8 HET MSE B 71 8 HET MSE C 19 8 HET MSE C 71 8 HET MSE D 19 8 HET MSE D 71 8 >ALA.A 4 7.53 17.19 -14.90 7.94 16.83 -16.33 7.74 17.01 -15.61 2 0 1000.00 -999 ? >LEU.A 7 10.09 26.15 -9.14 9.80 25.70 -7.04 9.94 25.92 -8.09 3 0 1000.00 -999 ? >SER~A 8 7.19 28.86 -11.70 5.14 29.36 -10.51 6.16 29.11 -11.11 2 0 1000.00 -999 ? >PRO~A 9 8.29 32.72 -13.50 8.07 31.86 -11.45 8.18 32.29 -12.47 3 0 1000.00 -999 ? >ALA~A 10 5.21 32.91 -8.87 3.75 32.69 -9.29 4.48 32.80 -9.08 2 0 1000.00 -999 ? >ASP~A 11 6.16 28.42 -7.26 4.22 27.69 -7.75 5.19 28.06 -7.51 2 0 1000.00 -999 ? >LYS~A 12 9.76 31.06 -6.44 13.44 29.24 -11.33 11.60 30.15 -8.89 2 0 1000.00 -999 ? >LEU~A 13 7.76 35.40 -6.11 7.87 37.47 -6.41 7.82 36.44 -6.26 3 0 1000.00 -999 ? >LYS~A 14 6.15 32.87 -2.79 1.74 30.62 -0.70 3.94 31.75 -1.74 2 0 1000.00 -999 ? >ASN~A 15 9.58 29.52 -2.21 8.34 27.83 -2.69 8.96 28.67 -2.45 2 0 1000.00 -999 ? >ILE~A 16 12.03 34.31 -2.13 13.07 34.74 -2.92 12.55 34.52 -2.52 3 0 1000.00 -999 ? >SER~A 17 8.70 35.71 0.62 7.65 37.04 -1.12 8.17 36.38 -0.25 2 0 1000.00 -999 ? >SER~A 18 7.93 32.97 3.17 6.11 31.68 2.22 7.02 32.32 2.70 2 0 1000.00 -999 ? >MET?A 19 11.65 32.63 3.93 13.94 30.52 1.12 12.80 31.58 2.52 2 0 1000.00 -999 ? >LEU~A 20 11.47 37.46 3.36 13.02 38.31 2.09 12.24 37.89 2.73 3 0 1000.00 -999 ? >GLU~A 21 6.10 36.28 7.34 5.75 38.33 7.84 5.92 37.30 7.59 2 0 1000.00 -999 ? >GLU~A 22 11.53 31.45 9.28 12.02 29.54 8.50 11.78 30.50 8.89 2 0 1000.00 -999 ? >ILE~A 23 14.07 36.89 8.68 15.38 37.13 8.15 14.73 37.01 8.42 3 0 1000.00 -999 ? >VAL~A 24 10.46 39.11 10.12 9.34 40.42 8.72 9.90 39.77 9.42 3 0 1000.00 -999 ? >GLU~A 25 6.43 36.53 11.32 4.86 35.16 10.94 5.64 35.85 11.13 2 0 1000.00 -999 ? >ASP.A 26 12.91 35.16 13.72 14.15 33.89 14.86 13.53 34.53 14.29 2 0 1000.00 -999 ? >THR.A 27 11.21 38.05 17.33 10.02 38.08 19.13 10.62 38.06 18.23 2 0 1000.00 -999 ? >THR.A 28 14.71 37.01 18.58 16.09 35.32 18.41 15.40 36.17 18.50 2 0 1000.00 -999 ? >VAL.A 29 16.16 38.99 15.66 16.26 38.24 13.57 16.21 38.61 14.62 3 0 1000.00 -999 ? >PRO~A 30 19.37 41.97 15.96 17.14 41.97 15.97 18.25 41.97 15.96 3 0 1000.00 -999 ? >ARG~A 31 12.52 48.11 16.53 9.94 49.67 15.80 11.23 48.89 16.17 2 0 1000.00 -999 ? >ASN~A 32 17.80 47.48 12.33 19.53 46.31 12.80 18.67 46.90 12.56 2 0 1000.00 -999 ? >ILE~A 33 18.19 42.16 11.14 19.39 41.47 11.29 18.79 41.82 11.21 3 0 1000.00 -999 ? >ARG~A 34 12.46 40.72 14.18 11.55 42.88 16.21 12.00 41.80 15.20 2 0 1000.00 -999 ? >ALA~A 35 12.85 45.69 9.05 13.28 47.03 9.64 13.07 46.36 9.34 2 0 1000.00 -999 ? >ALA~A 36 15.40 44.92 6.26 16.88 44.67 6.48 16.14 44.79 6.37 2 0 1000.00 -999 ? >ALA~A 37 13.79 41.55 5.57 13.76 40.35 6.51 13.78 40.95 6.04 2 0 1000.00 -999 ? >ASP~A 38 9.53 43.80 6.50 7.44 43.38 6.37 8.49 43.59 6.43 2 0 1000.00 -999 ? >ASN~A 39 12.75 46.79 3.23 12.31 48.15 4.82 12.53 47.47 4.02 2 0 1000.00 -999 ? >ALA~A 40 13.12 43.01 0.82 14.17 42.00 1.31 13.65 42.51 1.07 2 0 1000.00 -999 ? >LYS~A 41 9.78 41.17 1.05 4.87 40.18 4.75 7.33 40.68 2.90 2 0 1000.00 -999 ? >ASN~A 42 7.63 45.53 0.85 6.55 45.22 2.70 7.09 45.38 1.77 2 0 1000.00 -999 ? >ALA~A 43 10.30 44.87 -2.85 11.84 44.97 -2.76 11.07 44.92 -2.81 2 0 1000.00 -999 ? >LEU~A 44 9.57 40.10 -3.58 11.48 39.06 -3.68 10.52 39.58 -3.63 3 0 1000.00 -999 ? >HIS.A 45 4.96 40.92 -2.71 5.02 38.89 -2.16 4.99 39.91 -2.44 3 0 1000.00 -999 ? >ASN.A 46 7.66 46.68 -6.34 7.38 48.60 -7.19 7.52 47.64 -6.77 2 0 1000.00 -999 ? >GLU.A 47 1.94 44.25 -7.89 0.02 44.51 -7.00 0.98 44.38 -7.45 2 0 1000.00 -999 ? >GLU.A 48 4.14 50.40 -10.05 2.52 49.80 -11.25 3.33 50.10 -10.65 2 0 1000.00 -999 ? >GLN.A 49 10.03 47.82 -10.30 11.33 47.95 -8.63 10.68 47.88 -9.47 2 0 1000.00 -999 ? >GLU~A 50 8.67 43.52 -15.87 9.24 43.53 -17.88 8.95 43.53 -16.87 2 0 1000.00 -999 ? >LEU~A 51 10.31 38.62 -11.62 10.12 37.25 -9.86 10.21 37.93 -10.74 3 0 1000.00 -999 ? >ILE~A 52 15.16 40.25 -13.38 15.40 40.01 -14.76 15.28 40.13 -14.07 3 0 1000.00 -999 ? >VAL~A 53 14.17 44.29 -11.11 13.77 46.17 -12.26 13.97 45.23 -11.69 3 0 1000.00 -999 ? >ARG~A 54 8.45 42.46 -8.17 5.64 41.57 -8.97 7.04 42.01 -8.57 2 0 1000.00 -999 ? >SER~A 55 14.78 40.66 -7.20 13.97 38.73 -8.35 14.37 39.69 -7.78 2 0 1000.00 -999 ? >ALA~A 56 17.76 43.01 -7.61 18.08 43.79 -8.88 17.92 43.40 -8.24 2 0 1000.00 -999 ? >THR~A 57 16.05 45.55 -5.33 14.47 47.00 -5.62 15.26 46.28 -5.47 2 0 1000.00 -999 ? >ALA~A 58 15.46 42.91 -2.66 14.56 41.70 -2.82 15.01 42.30 -2.74 2 0 1000.00 -999 ? >ILE~A 59 19.78 41.15 -4.27 20.50 40.21 -5.13 20.14 40.68 -4.70 3 0 1000.00 -999 ? >GLN~A 60 21.03 47.59 -2.95 23.15 47.27 -2.97 22.09 47.43 -2.96 2 0 1000.00 -999 ? >TYR~A 61 15.87 46.65 0.72 14.23 48.86 0.19 15.05 47.75 0.46 3 0 1000.00 -999 ? >LEU~A 62 19.27 40.83 1.46 17.34 39.88 1.92 18.30 40.36 1.69 3 0 1000.00 -999 ? >ASP~A 63 23.88 43.36 -0.20 23.88 41.69 -1.52 23.88 42.53 -0.86 2 0 1000.00 -999 ? >ASP~A 64 21.79 47.34 2.87 22.03 48.59 1.18 21.91 47.96 2.03 2 0 1000.00 -999 ? >ILE~A 65 20.45 44.19 6.60 20.15 44.26 7.34 20.30 44.22 6.97 3 0 1000.00 -999 ? >SER~A 66 24.54 41.89 5.94 23.72 40.34 4.25 24.13 41.12 5.09 2 0 1000.00 -999 ? >GLU.A 67 27.50 45.68 4.78 29.20 44.40 4.55 28.35 45.04 4.67 2 0 1000.00 -999 ? >ASP.A 68 23.67 44.57 10.69 22.95 45.32 12.53 23.31 44.94 11.61 2 0 1000.00 -999 ? >PRO.A 69 27.76 46.18 13.56 26.95 44.15 13.05 27.36 45.16 13.31 3 0 1000.00 -999 ? >ASN.A 70 23.76 42.80 16.56 24.97 43.94 17.86 24.37 43.37 17.21 2 0 1000.00 -999 ? >MET?A 71 23.28 39.50 13.03 22.55 38.87 9.08 22.91 39.18 11.06 2 0 1000.00 -999 ? >PRO~A 72 20.46 36.96 15.01 22.55 36.71 14.24 21.51 36.84 14.62 3 0 1000.00 -999 ? >ILE~A 73 25.32 32.07 13.60 26.16 32.16 13.96 25.74 32.12 13.78 3 0 1000.00 -999 ? >HIS~A 74 18.88 30.32 12.41 17.41 29.07 11.57 18.14 29.69 11.99 3 0 1000.00 -999 ? >THR~A 75 19.82 34.65 10.21 18.81 36.38 11.08 19.32 35.51 10.65 2 0 1000.00 -999 ? >ARG~A 76 26.83 36.02 8.24 26.48 39.11 8.43 26.65 37.56 8.34 2 0 1000.00 -999 ? >THR~A 77 22.68 31.51 6.82 23.22 29.56 7.57 22.95 30.54 7.20 2 0 1000.00 -999 ? >GLN~A 78 17.42 31.59 7.92 16.14 32.25 9.49 16.78 31.92 8.70 2 0 1000.00 -999 ? >ILE~A 79 20.38 36.89 4.76 20.25 38.30 5.06 20.31 37.59 4.91 3 0 1000.00 -999 ? >TRP~A 80 25.08 32.45 0.60 25.12 28.61 1.49 25.10 30.53 1.05 3 0 1000.00 -999 ? >GLY~A 81 19.97 31.11 1.02 19.91 31.95 1.00 19.94 31.53 1.01 1 0 1000.00 -999 ? >ILE~A 82 16.80 34.82 1.18 15.74 35.41 1.92 16.27 35.11 1.55 3 0 1000.00 -999 ? >VAL~A 83 19.99 35.85 -1.77 21.43 37.46 -1.36 20.71 36.65 -1.57 3 0 1000.00 -999 ? >SER~A 84 21.30 32.79 -3.66 22.96 31.83 -2.17 22.13 32.31 -2.91 2 0 1000.00 -999 ? >GLU~A 85 16.71 30.15 -3.20 15.27 29.59 -1.76 15.99 29.87 -2.48 2 0 1000.00 -999 ? >LEU~A 86 17.22 36.84 -4.84 15.58 37.78 -3.64 16.40 37.31 -4.24 3 0 1000.00 -999 ? >GLU~A 87 22.06 36.49 -6.54 23.86 36.14 -5.43 22.96 36.32 -5.98 2 0 1000.00 -999 ? >THR~A 88 18.70 32.43 -9.89 18.24 30.80 -8.49 18.47 31.62 -9.19 2 0 1000.00 -999 ? >ILE.A 89 14.86 35.41 -10.12 13.68 35.79 -9.47 14.27 35.60 -9.79 3 0 1000.00 -999 ? >LYS.A 90 16.00 35.27 -14.78 20.76 33.85 -13.42 18.38 34.56 -14.10 2 0 1000.00 -999 ? >ASN.A 91 12.61 35.44 -17.57 12.80 34.02 -19.11 12.70 34.73 -18.34 2 0 1000.00 -999 ? >PHE.B 2 51.65 45.72 -16.36 51.06 43.27 -15.09 51.35 44.49 -15.73 3 0 1000.00 -999 ? >SER.B 3 48.08 46.85 -14.66 46.19 47.66 -13.40 47.13 47.26 -14.03 2 0 1000.00 -999 ? >ALA.B 4 47.24 43.54 -13.08 48.29 42.60 -12.49 47.76 43.07 -12.78 2 0 1000.00 -999 ? >LYS.B 5 44.41 45.22 -11.11 45.53 51.04 -8.77 44.97 48.13 -9.94 2 0 1000.00 -999 ? >LYS.B 6 41.11 43.28 -11.04 40.78 38.21 -7.28 40.95 40.75 -9.16 2 0 1000.00 -999 ? >LEU.B 7 37.31 43.55 -14.02 37.28 43.79 -16.15 37.29 43.67 -15.08 3 0 1000.00 -999 ? >SER~B 8 35.95 47.07 -11.23 36.27 49.23 -12.24 36.11 48.15 -11.74 2 0 1000.00 -999 ? >PRO~B 9 32.01 47.14 -9.26 32.82 47.32 -11.35 32.42 47.23 -10.30 3 0 1000.00 -999 ? >ALA~B 10 32.91 50.60 -13.60 33.58 51.84 -12.99 33.24 51.22 -13.30 2 0 1000.00 -999 ? >ASP~B 11 36.62 48.08 -15.65 38.16 49.26 -14.77 37.39 48.67 -15.21 2 0 1000.00 -999 ? >LYS~B 12 32.69 46.14 -16.42 33.14 41.72 -11.78 32.92 43.93 -14.10 2 0 1000.00 -999 ? >LEU~B 13 29.33 49.65 -16.21 27.64 49.18 -14.92 28.48 49.41 -15.57 3 0 1000.00 -999 ? >LYS~B 14 32.25 50.44 -19.59 36.54 53.99 -22.15 34.40 52.22 -20.87 2 0 1000.00 -999 ? >ASN~B 15 33.75 46.06 -21.05 35.82 46.61 -20.92 34.78 46.33 -20.99 2 0 1000.00 -999 ? >ILE~B 16 28.22 46.11 -20.36 27.50 45.37 -19.54 27.86 45.74 -19.95 3 0 1000.00 -999 ? >SER~B 17 28.24 49.89 -22.91 28.00 51.14 -20.86 28.12 50.52 -21.89 2 0 1000.00 -999 ? >SER~B 18 30.90 49.52 -25.62 32.97 48.44 -26.32 31.93 48.98 -25.97 2 0 1000.00 -999 ? >MET?B 19 29.29 46.21 -26.65 30.44 42.84 -24.23 29.86 44.52 -25.44 2 0 1000.00 -999 ? >LEU~B 20 25.10 48.35 -25.38 23.80 47.25 -23.97 24.45 47.80 -24.68 3 0 1000.00 -999 ? >GLU~B 21 28.49 53.00 -29.16 26.79 54.28 -29.46 27.64 53.64 -29.31 2 0 1000.00 -999 ? >GLU~B 22 29.45 46.23 -32.29 30.97 44.79 -32.06 30.21 45.51 -32.18 2 0 1000.00 -999 ? >ILE~B 23 23.84 46.35 -30.65 23.10 45.19 -30.15 23.47 45.77 -30.40 3 0 1000.00 -999 ? >VAL~B 24 23.39 50.72 -31.75 23.15 52.26 -30.14 23.27 51.49 -30.95 3 0 1000.00 -999 ? >GLU~B 25 27.36 53.21 -33.28 29.42 53.61 -32.83 28.39 53.41 -33.06 2 0 1000.00 -999 ? >ASP.B 26 24.92 47.04 -35.83 25.34 45.43 -37.16 25.13 46.24 -36.49 2 0 1000.00 -999 ? >THR.B 27 22.97 49.67 -39.50 24.07 51.28 -40.51 23.52 50.48 -40.00 2 0 1000.00 -999 ? >THR.B 28 22.61 45.97 -40.38 23.94 44.27 -40.79 23.28 45.12 -40.58 2 0 1000.00 -999 ? >VAL.B 29 20.29 45.56 -37.37 21.00 45.03 -35.32 20.64 45.29 -36.35 3 0 1000.00 -999 ? >PRO~B 30 16.23 43.99 -37.37 17.17 46.03 -37.31 16.70 45.01 -37.34 3 0 1000.00 -999 ? >ARG~B 31 15.65 52.73 -38.53 17.78 54.76 -39.49 16.72 53.75 -39.01 2 0 1000.00 -999 ? >ASN~B 32 12.40 48.04 -32.97 12.38 45.95 -33.43 12.39 46.99 -33.20 2 0 1000.00 -999 ? >ILE~B 33 16.97 45.03 -32.39 17.08 43.65 -32.53 17.03 44.34 -32.46 3 0 1000.00 -999 ? >ARG~B 34 20.94 50.05 -35.20 20.43 51.79 -37.68 20.69 50.92 -36.44 2 0 1000.00 -999 ? >ALA~B 35 16.91 51.26 -29.82 15.55 51.83 -30.22 16.23 51.55 -30.02 2 0 1000.00 -999 ? >ALA~B 36 16.49 48.46 -27.25 15.90 47.09 -27.53 16.19 47.77 -27.39 2 0 1000.00 -999 ? >ALA~B 37 20.30 48.21 -26.95 21.24 47.81 -28.06 20.77 48.01 -27.51 2 0 1000.00 -999 ? >ASP~B 38 19.83 53.03 -27.71 20.58 54.96 -27.28 20.21 54.00 -27.49 2 0 1000.00 -999 ? >ASN~B 39 16.30 51.40 -23.98 15.05 52.68 -25.17 15.68 52.04 -24.57 2 0 1000.00 -999 ? >ALA~B 40 19.72 49.12 -22.06 20.11 47.79 -22.67 19.91 48.45 -22.37 2 0 1000.00 -999 ? >LYS~B 41 22.78 51.41 -22.42 25.87 55.39 -25.04 24.33 53.40 -23.73 2 0 1000.00 -999 ? >ASN~B 42 19.84 55.25 -21.70 20.30 56.02 -23.63 20.07 55.64 -22.67 2 0 1000.00 -999 ? >ALA~B 43 19.65 52.31 -18.15 18.90 50.98 -18.28 19.28 51.65 -18.22 2 0 1000.00 -999 ? >LEU~B 44 24.28 50.94 -17.94 24.37 48.81 -18.28 24.32 49.88 -18.11 3 0 1000.00 -999 ? >HIS.B 45 25.47 55.34 -18.24 26.71 54.10 -19.40 26.09 54.72 -18.82 3 0 1000.00 -999 ? >ASN.B 46 19.63 55.19 -14.09 17.82 56.27 -13.77 18.73 55.73 -13.93 2 0 1000.00 -999 ? >GLU.B 47 24.07 58.81 -9.44 25.61 60.27 -9.54 24.84 59.54 -9.49 2 0 1000.00 -999 ? >GLU.B 48 17.63 58.99 -11.21 17.74 60.92 -10.31 17.69 59.96 -10.76 2 0 1000.00 -999 ? >GLN.B 49 17.13 52.90 -10.44 16.42 51.89 -12.15 16.78 52.40 -11.29 2 0 1000.00 -999 ? >GLU~B 50 19.95 50.53 -5.30 21.23 51.34 -3.86 20.59 50.93 -4.58 2 0 1000.00 -999 ? >LEU~B 51 25.43 49.27 -9.17 27.23 48.57 -9.99 26.33 48.92 -9.58 3 0 1000.00 -999 ? >ILE~B 52 22.50 44.89 -8.40 22.70 44.35 -7.14 22.60 44.62 -7.77 3 0 1000.00 -999 ? >VAL~B 53 19.04 47.48 -10.29 17.48 48.27 -8.98 18.26 47.88 -9.63 3 0 1000.00 -999 ? >ARG~B 54 22.19 52.71 -12.80 24.80 52.61 -11.18 23.49 52.66 -11.99 2 0 1000.00 -999 ? >SER~B 55 21.94 46.01 -14.48 24.20 45.83 -13.64 23.07 45.92 -14.06 2 0 1000.00 -999 ? >ALA~B 56 18.61 44.22 -14.01 17.85 44.06 -12.69 18.23 44.14 -13.35 2 0 1000.00 -999 ? >THR~B 57 16.77 46.99 -15.91 16.06 48.92 -15.16 16.42 47.96 -15.53 2 0 1000.00 -999 ? >ALA~B 58 19.24 46.76 -18.83 20.72 47.15 -18.80 19.98 46.95 -18.82 2 0 1000.00 -999 ? >ILE~B 59 19.13 41.92 -17.71 19.72 40.80 -17.05 19.42 41.36 -17.38 3 0 1000.00 -999 ? >GLN~B 60 12.75 44.02 -18.00 12.12 41.98 -18.01 12.43 43.00 -18.00 2 0 1000.00 -999 ? >TYR~B 61 15.26 48.24 -21.54 14.01 50.51 -20.47 14.63 49.38 -21.00 3 0 1000.00 -999 ? >LEU~B 62 18.76 42.80 -23.47 20.52 44.02 -24.09 19.64 43.41 -23.78 3 0 1000.00 -999 ? >ASP~B 63 14.73 39.78 -21.23 16.36 38.86 -20.22 15.54 39.32 -20.73 2 0 1000.00 -999 ? >ASP~B 64 11.56 43.42 -23.60 10.87 43.51 -21.60 11.21 43.46 -22.60 2 0 1000.00 -999 ? >ILE~B 65 14.10 43.16 -28.21 14.97 43.87 -28.28 14.54 43.52 -28.24 3 0 1000.00 -999 ? >SER~B 66 14.77 38.50 -27.59 14.00 37.43 -25.53 14.39 37.97 -26.56 2 0 1000.00 -999 ? >GLU~B 67 10.60 35.70 -27.03 10.93 33.74 -27.71 10.76 34.72 -27.37 2 0 1000.00 -999 ? >ASP.B 68 12.42 40.78 -32.02 11.76 42.02 -33.63 12.09 41.40 -32.82 2 0 1000.00 -999 ? >PRO.B 69 9.25 39.10 -35.47 11.04 38.03 -34.61 10.14 38.57 -35.04 3 0 1000.00 -999 ? >ASN.B 70 13.22 41.08 -37.81 11.30 41.04 -38.70 12.26 41.06 -38.26 2 0 1000.00 -999 ? >MET?B 71 16.37 39.26 -34.56 18.35 39.80 -31.82 17.36 39.53 -33.19 2 0 1000.00 -999 ? >PRO~B 72 19.63 41.16 -36.59 19.09 39.05 -36.09 19.36 40.10 -36.34 3 0 1000.00 -999 ? >ILE~B 73 22.24 34.62 -36.63 22.11 33.61 -37.45 22.18 34.11 -37.04 3 0 1000.00 -999 ? >HIS~B 74 25.36 39.80 -36.30 24.50 41.55 -37.09 24.93 40.68 -36.70 3 0 1000.00 -999 ? >THR~B 75 23.05 40.25 -32.77 22.01 42.07 -33.31 22.53 41.16 -33.04 2 0 1000.00 -999 ? >ARG~B 76 19.82 34.07 -30.85 16.89 34.58 -31.54 18.35 34.32 -31.20 2 0 1000.00 -999 ? >THR~B 77 24.93 36.19 -29.92 26.23 34.86 -30.98 25.58 35.53 -30.45 2 0 1000.00 -999 ? >GLN~B 78 27.11 40.86 -31.05 26.99 42.44 -32.47 27.05 41.65 -31.76 2 0 1000.00 -999 ? >ILE~B 79 21.59 40.25 -27.13 20.33 40.93 -27.29 20.96 40.59 -27.21 3 0 1000.00 -999 ? >TRP~B 80 23.95 33.87 -23.57 27.31 32.40 -25.00 25.63 33.14 -24.29 3 0 1000.00 -999 ? >GLY~B 81 27.28 38.01 -24.25 26.57 38.34 -24.04 26.92 38.18 -24.14 1 0 1000.00 -999 ? >ILE~B 82 25.33 42.37 -23.64 25.17 43.61 -24.34 25.25 42.99 -23.99 3 0 1000.00 -999 ? >VAL~B 83 23.31 39.77 -20.62 21.18 39.06 -20.93 22.25 39.42 -20.78 3 0 1000.00 -999 ? >SER~B 84 25.67 37.10 -19.29 27.33 36.31 -20.86 26.50 36.71 -20.07 2 0 1000.00 -999 ? >GLU~B 85 29.99 40.05 -20.11 31.08 41.33 -21.38 30.54 40.69 -20.74 2 0 1000.00 -999 ? >LEU~B 86 24.14 42.58 -17.44 23.82 44.49 -18.48 23.98 43.53 -17.96 3 0 1000.00 -999 ? >GLU~B 87 22.54 37.93 -15.83 21.58 36.33 -16.75 22.06 37.13 -16.29 2 0 1000.00 -999 ? >THR.B 88 27.90 39.06 -12.98 29.39 38.84 -14.55 28.65 38.95 -13.77 2 0 1000.00 -999 ? >ILE.B 89 26.86 43.88 -12.46 27.93 44.85 -12.91 27.40 44.37 -12.69 3 0 1000.00 -999 ? >LYS.B 90 27.21 42.24 -7.92 25.19 37.28 -9.46 26.20 39.76 -8.69 2 0 1000.00 -999 ? >ASN.B 91 29.05 44.22 -4.53 30.30 42.48 -4.41 29.67 43.35 -4.47 2 0 1000.00 -999 ? >ALA.C 4 31.15 41.67 2.92 29.92 41.40 2.08 30.53 41.53 2.50 2 0 1000.00 -999 ? >LYS.C 6 29.75 36.38 4.92 34.00 36.40 0.22 31.88 36.39 2.57 2 0 1000.00 -999 ? >LEU.C 7 28.58 31.74 5.45 26.51 31.71 6.08 27.55 31.73 5.77 3 0 1000.00 -999 ? >SER~C 8 32.98 30.85 5.27 33.16 29.21 7.05 33.07 30.03 6.16 2 0 1000.00 -999 ? >PRO~C 9 35.13 29.56 1.76 33.33 28.86 2.88 34.23 29.21 2.32 3 0 1000.00 -999 ? >ALA~C 10 33.42 25.64 5.14 34.36 25.71 6.34 33.89 25.68 5.74 2 0 1000.00 -999 ? >ASP~C 11 29.94 28.22 7.36 30.63 28.15 9.38 30.28 28.19 8.37 2 0 1000.00 -999 ? >LYS~C 12 28.40 27.05 3.19 29.47 32.51 0.18 28.93 29.78 1.69 2 0 1000.00 -999 ? >LEU~C 13 30.86 22.95 2.28 31.72 23.04 0.25 31.29 22.99 1.26 3 0 1000.00 -999 ? >LYS~C 14 28.25 22.32 5.90 29.54 22.44 11.68 28.89 22.38 8.79 2 0 1000.00 -999 ? >ASN~C 15 24.64 25.49 5.48 24.52 26.24 7.48 24.58 25.87 6.48 2 0 1000.00 -999 ? >ILE~C 16 25.30 22.87 0.63 25.58 23.35 -0.64 25.44 23.11 0.00 3 0 1000.00 -999 ? >SER~C 17 25.39 19.01 3.10 27.83 19.11 3.03 26.61 19.06 3.06 2 0 1000.00 -999 ? >SER~C 18 22.90 19.30 5.96 21.69 20.83 7.39 22.30 20.07 6.67 2 0 1000.00 -999 ? >MET?C 19 20.14 20.36 3.55 19.84 24.40 2.29 19.99 22.38 2.92 2 0 1000.00 -999 ? >LEU~C 20 22.33 17.21 0.57 22.82 17.78 -1.48 22.58 17.49 -0.45 3 0 1000.00 -999 ? >GLU~C 21 21.87 13.85 6.39 22.25 12.04 5.31 22.06 12.94 5.85 2 0 1000.00 -999 ? >GLU~C 22 15.59 18.00 5.72 15.23 20.09 6.03 15.41 19.05 5.88 2 0 1000.00 -999 ? >ILE~C 23 16.59 15.38 0.28 16.42 15.99 -1.00 16.51 15.68 -0.36 3 0 1000.00 -999 ? >VAL~C 24 18.25 11.70 2.13 20.42 11.17 1.97 19.33 11.44 2.05 3 0 1000.00 -999 ? >GLU~C 25 18.48 11.22 6.97 19.26 11.90 8.83 18.87 11.56 7.90 2 0 1000.00 -999 ? >ASP.C 26 12.90 13.26 3.24 10.89 13.89 3.01 11.90 13.58 3.13 2 0 1000.00 -999 ? >THR.C 27 10.85 8.85 3.72 10.37 8.26 5.75 10.61 8.56 4.73 2 0 1000.00 -999 ? >THR.C 28 8.20 10.60 1.57 7.54 12.37 2.64 7.87 11.49 2.10 2 0 1000.00 -999 ? >VAL.C 29 10.72 10.81 -1.28 12.04 12.59 -1.43 11.38 11.70 -1.36 3 0 1000.00 -999 ? >PRO~C 30 9.93 9.45 -5.42 11.06 8.74 -3.61 10.49 9.10 -4.52 3 0 1000.00 -999 ? >ARG~C 31 13.92 2.83 -1.29 14.89 2.64 1.60 14.40 2.73 0.15 2 0 1000.00 -999 ? >ASN~C 32 15.57 6.92 -7.88 13.95 8.15 -8.48 14.76 7.54 -8.18 2 0 1000.00 -999 ? >ILE~C 33 14.45 11.72 -5.58 13.49 12.52 -6.07 13.97 12.12 -5.83 3 0 1000.00 -999 ? >ARG~C 34 14.22 8.66 0.19 14.49 6.90 2.73 14.35 7.78 1.46 2 0 1000.00 -999 ? >ALA~C 35 19.98 8.41 -3.56 19.92 7.11 -4.35 19.95 7.76 -3.96 2 0 1000.00 -999 ? >ALA~C 36 20.62 11.34 -5.95 19.62 11.91 -6.95 20.12 11.63 -6.45 2 0 1000.00 -999 ? >ALA~C 37 20.77 13.71 -2.97 19.58 14.05 -2.09 20.18 13.88 -2.53 2 0 1000.00 -999 ? >ASP~C 38 23.02 10.02 -0.73 24.03 9.73 1.09 23.53 9.88 0.18 2 0 1000.00 -999 ? >ASN~C 39 24.70 10.77 -5.83 24.24 8.68 -5.88 24.47 9.73 -5.85 2 0 1000.00 -999 ? >ALA~C 40 25.35 15.05 -4.64 24.11 15.91 -4.74 24.73 15.48 -4.69 2 0 1000.00 -999 ? >LYS~C 41 26.39 15.24 -0.99 25.56 13.45 4.96 25.98 14.35 1.98 2 0 1000.00 -999 ? >ASN~C 42 29.23 11.31 -1.70 28.33 10.29 -0.07 28.78 10.80 -0.89 2 0 1000.00 -999 ? >ALA~C 43 30.34 14.70 -4.69 29.38 15.12 -5.82 29.86 14.91 -5.25 2 0 1000.00 -999 ? >LEU~C 44 30.01 18.41 -1.52 28.62 19.95 -2.05 29.31 19.18 -1.79 3 0 1000.00 -999 ? >HIS.C 45 32.23 15.87 1.65 30.86 17.02 2.75 31.55 16.44 2.20 3 0 1000.00 -999 ? >ASN.C 46 34.85 14.12 -4.88 36.15 13.00 -6.17 35.50 13.56 -5.53 2 0 1000.00 -999 ? >GLU.C 47 38.60 16.28 0.09 39.75 16.40 1.89 39.18 16.34 0.99 2 0 1000.00 -999 ? >GLU.C 48 40.24 12.93 -7.62 39.09 11.38 -8.46 39.67 12.16 -8.04 2 0 1000.00 -999 ? >GLN.C 49 37.00 16.30 -8.77 34.96 15.85 -9.20 35.98 16.08 -8.98 2 0 1000.00 -999 ? >GLU~C 50 40.82 22.24 -7.98 41.78 23.61 -9.29 41.30 22.92 -8.64 2 0 1000.00 -999 ? >LEU~C 51 35.49 24.49 -4.43 34.74 24.65 -2.41 35.11 24.57 -3.42 3 0 1000.00 -999 ? >ILE~C 52 34.75 25.43 -9.74 34.07 26.57 -9.60 34.41 26.00 -9.67 3 0 1000.00 -999 ? >VAL~C 53 34.07 21.04 -10.22 35.48 20.06 -11.56 34.77 20.55 -10.89 3 0 1000.00 -999 ? >ARG~C 54 34.95 18.96 -3.99 37.20 20.29 -2.42 36.07 19.63 -3.20 2 0 1000.00 -999 ? >SER~C 55 29.84 21.88 -6.83 30.80 23.72 -5.64 30.32 22.80 -6.23 2 0 1000.00 -999 ? >ALA~C 56 29.00 21.36 -10.49 29.97 21.67 -11.60 29.49 21.51 -11.04 2 0 1000.00 -999 ? >THR~C 57 29.08 17.57 -10.08 30.70 16.16 -9.97 29.89 16.87 -10.02 2 0 1000.00 -999 ? >ALA~C 58 26.66 17.91 -7.14 26.96 18.60 -5.86 26.81 18.26 -6.50 2 0 1000.00 -999 ? >ILE~C 59 24.85 21.63 -9.83 24.78 23.01 -10.05 24.82 22.32 -9.94 3 0 1000.00 -999 ? >GLN~C 60 25.58 16.54 -14.03 25.73 17.87 -15.69 25.66 17.21 -14.86 2 0 1000.00 -999 ? >TYR~C 61 24.90 13.40 -8.66 26.92 11.46 -8.93 25.91 12.43 -8.79 3 0 1000.00 -999 ? >LEU~C 62 20.52 18.33 -7.76 20.73 18.03 -5.60 20.63 18.18 -6.68 3 0 1000.00 -999 ? >ASP~C 63 20.55 19.41 -13.10 20.69 21.44 -12.52 20.62 20.43 -12.81 2 0 1000.00 -999 ? >ASP~C 64 20.66 14.03 -13.63 22.32 14.54 -14.86 21.49 14.29 -14.24 2 0 1000.00 -999 ? >ILE~C 65 17.40 13.48 -9.62 17.23 12.78 -9.17 17.32 13.13 -9.40 3 0 1000.00 -999 ? >SER~C 66 14.93 17.13 -11.46 15.74 18.74 -13.12 15.33 17.94 -12.29 2 0 1000.00 -999 ? >GLU.C 67 13.45 16.04 -17.18 13.44 18.16 -17.38 13.45 17.10 -17.28 2 0 1000.00 -999 ? >ASP.C 68 12.52 12.33 -11.27 12.10 10.30 -10.88 12.31 11.32 -11.08 2 0 1000.00 -999 ? >PRO.C 69 8.20 11.00 -14.10 8.79 12.83 -12.93 8.50 11.91 -13.52 3 0 1000.00 -999 ? >ASN.C 70 7.98 10.04 -9.07 6.32 8.72 -9.18 7.15 9.38 -9.13 2 0 1000.00 -999 ? >MET?C 71 9.30 14.26 -7.44 12.40 16.73 -7.11 10.85 15.49 -7.28 2 0 1000.00 -999 ? >PRO~C 72 8.42 13.99 -3.31 7.80 15.43 -4.96 8.11 14.71 -4.14 3 0 1000.00 -999 ? >ILE~C 73 5.26 20.25 -4.37 4.20 21.15 -4.91 4.73 20.70 -4.64 3 0 1000.00 -999 ? >HIS~C 74 8.37 18.07 0.45 8.74 16.02 0.71 8.55 17.05 0.58 3 0 1000.00 -999 ? >THR~C 75 11.53 18.29 -2.36 12.00 16.20 -2.30 11.77 17.24 -2.33 2 0 1000.00 -999 ? >ARG~C 76 9.65 21.16 -8.85 10.09 18.60 -10.50 9.87 19.88 -9.67 2 0 1000.00 -999 ? >THR~C 77 11.76 23.50 -3.49 10.31 24.88 -2.56 11.04 24.19 -3.02 2 0 1000.00 -999 ? >GLN~C 78 13.49 20.99 0.85 12.94 19.18 1.85 13.21 20.09 1.35 2 0 1000.00 -999 ? >ILE~C 79 16.26 20.04 -5.29 16.44 18.86 -5.89 16.35 19.45 -5.59 3 0 1000.00 -999 ? >TRP~C 80 15.68 27.34 -7.52 13.49 29.78 -5.35 14.58 28.56 -6.44 3 0 1000.00 -999 ? >GLY~C 81 17.50 26.12 -2.67 17.81 25.53 -3.11 17.65 25.83 -2.89 1 0 1000.00 -999 ? >ILE~C 82 20.39 22.14 -2.38 20.48 20.91 -1.79 20.44 21.53 -2.09 3 0 1000.00 -999 ? >VAL~C 83 21.26 24.25 -6.28 20.61 23.46 -8.23 20.94 23.85 -7.26 3 0 1000.00 -999 ? >SER~C 84 21.02 28.05 -5.82 18.70 28.55 -6.02 19.86 28.30 -5.92 2 0 1000.00 -999 ? >GLU~C 85 22.08 28.01 -0.82 21.49 26.90 0.89 21.79 27.46 0.03 2 0 1000.00 -999 ? >LEU~C 86 25.45 24.09 -5.40 25.79 22.10 -4.50 25.62 23.10 -4.95 3 0 1000.00 -999 ? >GLU~C 87 24.20 27.17 -9.23 22.60 27.53 -10.55 23.40 27.35 -9.89 2 0 1000.00 -999 ? >THR~C 88 27.44 30.64 -5.25 26.02 30.92 -3.63 26.73 30.78 -4.44 2 0 1000.00 -999 ? >ILE.C 89 30.21 26.78 -4.12 30.37 26.69 -2.73 30.29 26.73 -3.42 3 0 1000.00 -999 ? >LYS.C 90 33.29 30.12 -6.06 31.98 35.73 -8.61 32.63 32.92 -7.34 2 0 1000.00 -999 ? >LEU.D 7 21.64 31.50 -28.46 23.56 32.26 -29.17 22.60 31.88 -28.82 3 0 1000.00 -999 ? >SER~D 8 21.83 26.70 -28.92 23.20 25.85 -30.76 22.51 26.27 -29.84 2 0 1000.00 -999 ? >PRO~D 9 22.39 23.89 -25.60 23.65 25.30 -26.80 23.02 24.59 -26.20 3 0 1000.00 -999 ? >ALA~D 10 26.53 24.17 -29.31 26.18 23.21 -30.47 26.35 23.69 -29.89 2 0 1000.00 -999 ? >ASP~D 11 25.14 28.47 -31.20 24.33 27.62 -32.98 24.74 28.05 -32.09 2 0 1000.00 -999 ? >LYS~D 12 27.22 28.95 -27.17 21.81 30.09 -23.75 24.52 29.52 -25.46 2 0 1000.00 -999 ? >LEU~D 13 30.16 25.00 -26.84 30.07 23.95 -24.91 30.11 24.48 -25.87 3 0 1000.00 -999 ? >LYS~D 14 31.35 27.52 -30.37 31.04 29.43 -35.59 31.19 28.47 -32.98 2 0 1000.00 -999 ? >ASN~D 15 30.21 32.01 -29.00 30.46 34.13 -29.07 30.34 33.07 -29.03 2 0 1000.00 -999 ? >ILE~D 16 32.62 29.70 -24.94 32.06 29.54 -23.76 32.34 29.62 -24.35 3 0 1000.00 -999 ? >SER~D 17 35.89 28.30 -27.87 34.85 26.10 -28.03 35.37 27.20 -27.95 2 0 1000.00 -999 ? >SER~D 18 36.56 30.97 -30.49 36.01 32.41 -32.34 36.28 31.69 -31.42 2 0 1000.00 -999 ? >MET?D 19 36.97 33.64 -27.78 33.44 35.30 -26.00 35.20 34.47 -26.89 2 0 1000.00 -999 ? >LEU~D 20 39.15 30.02 -25.35 38.46 29.48 -23.35 38.80 29.75 -24.35 3 0 1000.00 -999 ? >GLU~D 21 41.06 28.94 -30.87 43.11 28.39 -30.59 42.08 28.67 -30.73 2 0 1000.00 -999 ? >GLU~D 22 40.76 37.01 -30.12 38.85 37.99 -30.31 39.81 37.50 -30.21 2 0 1000.00 -999 ? >ILE~D 23 43.23 34.17 -24.77 42.89 34.51 -23.38 43.06 34.34 -24.08 3 0 1000.00 -999 ? >VAL~D 24 45.72 31.41 -27.29 45.16 29.29 -27.51 45.44 30.35 -27.40 3 0 1000.00 -999 ? >GLU~D 25 45.69 32.04 -32.19 44.06 31.98 -33.62 44.87 32.01 -32.91 2 0 1000.00 -999 ? >ASP.D 26 46.65 37.24 -27.52 46.89 39.36 -27.34 46.77 38.30 -27.43 2 0 1000.00 -999 ? >THR.D 27 51.33 37.30 -28.81 52.73 37.72 -30.43 52.03 37.51 -29.62 2 0 1000.00 -999 ? >THR.D 28 51.24 40.06 -26.18 49.85 41.56 -26.97 50.55 40.81 -26.58 2 0 1000.00 -999 ? >VAL.D 29 49.99 37.61 -23.53 47.87 37.07 -23.36 48.93 37.34 -23.45 3 0 1000.00 -999 ? >PRO~D 30 51.98 37.40 -19.57 51.83 36.17 -21.45 51.91 36.78 -20.51 3 0 1000.00 -999 ? >ARG~D 31 55.83 29.75 -23.51 55.43 30.08 -26.59 55.63 29.92 -25.05 2 0 1000.00 -999 ? >ASN~D 32 51.82 30.40 -17.85 51.64 32.29 -16.91 51.73 31.34 -17.38 2 0 1000.00 -999 ? >ILE~D 33 47.94 33.99 -19.48 47.54 35.14 -18.72 47.74 34.56 -19.10 3 0 1000.00 -999 ? >ARG~D 34 50.33 33.37 -25.70 51.52 32.97 -28.52 50.93 33.17 -27.11 2 0 1000.00 -999 ? >ALA~D 35 48.30 27.82 -22.32 49.56 27.28 -21.66 48.93 27.55 -21.99 2 0 1000.00 -999 ? >ALA~D 36 45.56 28.06 -19.62 45.58 29.03 -18.45 45.57 28.55 -19.04 2 0 1000.00 -999 ? >ALA~D 37 43.19 29.41 -22.29 43.44 30.65 -23.13 43.32 30.03 -22.71 2 0 1000.00 -999 ? >ASP~D 38 45.46 26.14 -25.06 45.32 25.01 -26.84 45.39 25.58 -25.95 2 0 1000.00 -999 ? >ASN~D 39 44.21 24.16 -20.16 46.28 23.56 -20.23 45.24 23.86 -20.19 2 0 1000.00 -999 ? >ALA~D 40 40.03 25.68 -20.85 39.75 27.15 -20.57 39.89 26.42 -20.71 2 0 1000.00 -999 ? >LYS~D 41 39.24 25.30 -24.56 41.23 24.67 -29.77 40.23 24.99 -27.17 2 0 1000.00 -999 ? >ASN~D 42 41.59 21.03 -24.30 43.03 21.59 -25.79 42.31 21.31 -25.04 2 0 1000.00 -999 ? >ALA~D 43 38.13 20.98 -21.35 38.22 21.79 -20.07 38.18 21.39 -20.71 2 0 1000.00 -999 ? >LEU~D 44 34.85 23.50 -23.89 33.87 25.17 -22.92 34.36 24.33 -23.41 3 0 1000.00 -999 ? >HIS.D 45 36.76 20.30 -27.48 37.23 22.01 -28.59 37.00 21.15 -28.03 3 0 1000.00 -999 ? >ASN.D 46 36.43 15.75 -22.35 38.48 16.15 -22.76 37.46 15.95 -22.56 2 0 1000.00 -999 ? >GLU.D 47 31.75 15.21 -26.76 32.49 14.73 -28.69 32.12 14.97 -27.72 2 0 1000.00 -999 ? >GLU.D 48 33.73 10.31 -19.85 33.47 8.42 -20.81 33.60 9.36 -20.33 2 0 1000.00 -999 ? >GLN.D 49 33.79 15.16 -18.27 35.31 16.53 -17.66 34.55 15.84 -17.96 2 0 1000.00 -999 ? >GLU~D 50 26.72 14.43 -17.84 24.93 13.89 -16.81 25.83 14.16 -17.33 2 0 1000.00 -999 ? >LEU~D 51 26.39 20.70 -20.58 26.18 21.30 -22.67 26.28 21.00 -21.62 3 0 1000.00 -999 ? >ILE~D 52 26.61 22.04 -15.60 25.11 21.76 -15.28 25.86 21.90 -15.44 3 0 1000.00 -999 ? >VAL~D 53 30.79 19.69 -15.38 31.11 17.75 -14.38 30.95 18.72 -14.88 3 0 1000.00 -999 ? >ARG~D 54 32.40 18.50 -22.08 30.65 19.03 -24.56 31.53 18.76 -23.32 2 0 1000.00 -999 ? >SER~D 55 31.86 24.16 -18.33 29.66 24.19 -19.29 30.76 24.18 -18.81 2 0 1000.00 -999 ? >ALA~D 56 32.88 24.16 -14.69 32.19 23.33 -13.60 32.54 23.74 -14.14 2 0 1000.00 -999 ? >THR~D 57 36.15 22.50 -15.69 36.65 20.41 -16.05 36.40 21.46 -15.87 2 0 1000.00 -999 ? >ALA~D 58 36.93 25.23 -18.24 36.12 25.53 -19.49 36.53 25.38 -18.87 2 0 1000.00 -999 ? >ILE~D 59 34.66 28.06 -14.89 33.51 28.87 -14.46 34.09 28.47 -14.68 3 0 1000.00 -999 ? >GLN~D 60 39.30 24.49 -11.66 38.33 25.01 -9.84 38.82 24.75 -10.75 2 0 1000.00 -999 ? >TYR~D 61 41.92 24.74 -16.95 42.68 22.03 -17.08 42.30 23.39 -17.02 3 0 1000.00 -999 ? >LEU~D 62 39.24 30.87 -16.83 39.13 30.72 -19.01 39.19 30.80 -17.92 3 0 1000.00 -999 ? >ASP~D 63 38.84 30.46 -11.44 36.84 31.13 -11.78 37.84 30.80 -11.61 2 0 1000.00 -999 ? >ASP~D 64 43.65 28.22 -11.65 42.44 26.84 -10.52 43.04 27.53 -11.08 2 0 1000.00 -999 ? >ILE~D 65 45.04 31.59 -15.64 45.72 31.73 -16.07 45.38 31.66 -15.85 3 0 1000.00 -999 ? >SER~D 66 43.07 35.06 -13.10 41.40 34.92 -11.32 42.24 34.99 -12.21 2 0 1000.00 -999 ? >GLU.D 67 45.36 34.74 -7.76 43.56 35.88 -7.59 44.46 35.31 -7.67 2 0 1000.00 -999 ? >ASP.D 68 48.80 35.19 -13.91 50.80 34.97 -14.51 49.80 35.08 -14.21 2 0 1000.00 -999 ? >PRO.D 69 52.38 37.34 -10.90 50.39 38.08 -11.62 51.39 37.71 -11.26 3 0 1000.00 -999 ? >ASN.D 70 52.62 38.78 -15.86 54.47 39.28 -14.95 53.54 39.03 -15.40 2 0 1000.00 -999 ? >MET?D 71 47.79 39.20 -16.37 44.85 37.84 -17.52 46.32 38.52 -16.95 2 0 1000.00 -999 ? >PRO~D 72 48.14 40.34 -20.50 47.30 41.30 -18.63 47.72 40.82 -19.56 3 0 1000.00 -999 ? >ILE~D 73 44.34 45.89 -18.97 44.51 47.17 -18.73 44.42 46.53 -18.85 3 0 1000.00 -999 ? >HIS~D 74 44.34 42.95 -23.85 46.11 41.97 -24.41 45.22 42.46 -24.13 3 0 1000.00 -999 ? >THR~D 75 43.05 39.66 -21.32 44.74 38.37 -21.77 43.89 39.02 -21.55 2 0 1000.00 -999 ? >ARG~D 76 41.62 41.39 -14.26 43.78 39.71 -12.82 42.70 40.55 -13.54 2 0 1000.00 -999 ? >THR~D 77 38.43 41.58 -19.64 38.08 43.67 -20.08 38.25 42.63 -19.86 2 0 1000.00 -999 ? >GLN~D 78 39.65 39.53 -24.37 41.38 39.03 -25.47 40.52 39.28 -24.92 2 0 1000.00 -999 ? >ILE~D 79 39.62 35.82 -18.72 40.65 35.04 -18.09 40.14 35.43 -18.40 3 0 1000.00 -999 ? >TRP~D 80 33.41 39.26 -15.70 32.23 42.38 -17.82 32.82 40.82 -16.76 3 0 1000.00 -999 ? >GLY~D 81 33.43 37.63 -20.83 33.83 37.04 -20.43 33.63 37.34 -20.63 1 0 1000.00 -999 ? >ILE~D 82 35.67 33.43 -21.62 36.70 32.91 -22.34 36.18 33.17 -21.98 3 0 1000.00 -999 ? >VAL~D 83 33.57 32.94 -17.74 34.65 32.77 -15.84 34.11 32.86 -16.79 3 0 1000.00 -999 ? >SER~D 84 30.36 34.98 -17.66 30.95 37.22 -17.03 30.66 36.10 -17.34 2 0 1000.00 -999 ? >GLU~D 85 29.43 34.55 -22.79 30.35 34.79 -24.65 29.89 34.67 -23.72 2 0 1000.00 -999 ? >LEU~D 86 31.71 29.34 -18.93 33.19 28.25 -20.12 32.45 28.80 -19.52 3 0 1000.00 -999 ? >GLU~D 87 29.78 30.98 -14.56 30.59 32.51 -13.40 30.19 31.74 -13.98 2 0 1000.00 -999 ? >THR.D 88 25.05 30.38 -18.49 25.29 32.06 -19.85 25.17 31.22 -19.17 2 0 1000.00 -999 ? >ILE.D 89 26.84 26.21 -20.30 27.72 25.99 -21.13 27.28 26.10 -20.72 3 0 1000.00 -999 ? >LYS.D 90 22.91 25.15 -17.59 21.24 25.41 -12.58 22.07 25.28 -15.08 2 0 1000.00 -999 ?