REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-MAR-09 3GOZ COMPND LEUCINE-RICH REPEAT-CONTAINING PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. SOURCE 3 PNEUMOPHILA STR. PHILADELPHIA 1; SOURCE 4 ORGANISM_TAXID: 272624; SOURCE 5 STRAIN: PHILADELPHIA 1 / DSM 7513; SOURCE 6 ATCC: 33152; SOURCE 7 GENE: LEG7, LEGL7, LPG2400; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 10 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 11 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 12 EXPRESSION_SYSTEM_PLASMID: PET21-23C AUTHOR S.M.VOROBIEV,M.ABASHIDZE,J.SEETHARAMAN,R.L.BELOTE,E.L.FOOTE, AUTHOR 2 C.CICCOSANTI,H.JANJUA,R.XIAO,T.B.ACTON,G.T.MONTELIONE, AUTHOR 3 J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM AUTHOR 4 (NESG) HET MSE A 1 8 HET MSE A 268 8 >MET?A 1 26.08 -7.01 72.24 23.67 -8.65 69.14 24.88 -7.83 70.69 2 0 1000.00 -999 ? >ASN^A 2 30.05 -9.71 72.43 31.95 -10.33 71.69 31.00 -10.02 72.06 2 0 1000.00 -999 ? >TYR^A 3 28.83 -10.82 65.71 28.38 -12.36 63.44 28.60 -11.59 64.58 3 0 1000.00 -999 ? >LYS^A 4 32.73 -13.02 67.11 34.12 -16.20 72.45 33.42 -14.61 69.78 2 0 1000.00 -999 ? >LEU.A 5 33.70 -11.59 62.72 33.81 -11.34 60.57 33.75 -11.46 61.64 3 0 1000.00 -999 ? >THR.A 6 35.74 -15.98 62.61 35.75 -17.97 63.41 35.74 -16.98 63.01 2 0 1000.00 -999 ? >LEU.A 7 38.75 -14.24 59.44 37.61 -12.42 58.90 38.18 -13.33 59.17 3 0 1000.00 -999 ? >HIS.A 8 37.53 -20.03 58.15 36.16 -20.58 59.65 36.84 -20.31 58.90 3 0 1000.00 -999 ? >PRO.A 9 43.11 -20.55 56.38 42.00 -18.69 55.81 42.55 -19.62 56.09 3 0 1000.00 -999 ? >GLY.A 10 40.27 -18.25 52.26 39.99 -17.93 52.94 40.13 -18.09 52.60 1 0 1000.00 -999 ? >SER.A 11 37.65 -15.95 53.78 37.05 -16.81 55.98 37.35 -16.38 54.88 2 0 1000.00 -999 ? >ASN~A 12 35.97 -12.53 50.74 35.74 -10.48 50.14 35.86 -11.51 50.44 2 0 1000.00 -999 ? >PRO~A 13 38.99 -9.94 54.41 36.83 -10.51 54.26 37.91 -10.23 54.33 3 0 1000.00 -999 ? >VAL~A 14 34.21 -7.84 52.87 34.32 -6.51 51.13 34.27 -7.18 52.00 3 0 1000.00 -999 ? >GLU~A 15 31.84 -11.70 50.18 32.87 -13.12 48.97 32.35 -12.41 49.58 2 0 1000.00 -999 ? >GLU~A 16 34.01 -13.64 56.07 32.48 -15.09 55.77 33.25 -14.37 55.92 2 0 1000.00 -999 ? >PHE~A 17 33.53 -6.86 58.16 35.69 -6.47 59.88 34.61 -6.67 59.02 3 0 1000.00 -999 ? >THR~A 18 28.16 -8.13 55.74 28.31 -8.81 53.67 28.24 -8.47 54.71 2 0 1000.00 -999 ? >SER~A 19 26.93 -10.90 58.05 28.72 -12.46 58.60 27.82 -11.68 58.32 2 0 1000.00 -999 ? >ILE.A 20 28.67 -7.77 61.46 29.91 -7.34 62.09 29.29 -7.55 61.78 3 0 1000.00 -999 ? >PRO.A 21 24.16 -10.05 63.50 24.71 -8.18 62.40 24.43 -9.11 62.95 3 0 1000.00 -999 ? >HIS.A 22 22.92 -2.98 61.01 23.57 -2.66 59.04 23.24 -2.82 60.03 3 0 1000.00 -999 ? >GLY.A 23 23.09 -3.55 66.93 23.83 -3.78 66.58 23.46 -3.66 66.75 1 0 1000.00 -999 ? >VAL.A 24 26.41 -5.30 67.49 27.65 -6.83 66.55 27.03 -6.06 67.02 3 0 1000.00 -999 ? >THR.A 25 28.37 -3.02 69.81 27.09 -2.85 71.56 27.73 -2.93 70.69 2 0 1000.00 -999 ? >SER^A 26 31.45 -5.19 70.32 32.75 -6.45 71.95 32.10 -5.82 71.13 2 0 1000.00 -999 ? >LEU^A 27 33.38 -6.11 66.11 33.70 -7.08 64.16 33.54 -6.60 65.13 3 0 1000.00 -999 ? >ASP^A 28 35.33 -10.84 69.15 37.02 -11.96 69.79 36.18 -11.40 69.47 2 0 1000.00 -999 ? >LEU.A 29 38.55 -9.24 64.38 37.23 -8.33 62.90 37.89 -8.79 63.64 3 0 1000.00 -999 ? >SER.A 30 40.78 -11.98 67.67 39.78 -12.96 69.67 40.28 -12.47 68.67 2 0 1000.00 -999 ? >LEU.A 31 42.22 -16.17 67.83 43.14 -16.48 69.81 42.68 -16.33 68.82 3 0 1000.00 -999 ? >ASN.A 32 41.12 -13.57 62.72 39.09 -14.03 63.16 40.11 -13.80 62.94 2 0 1000.00 -999 ? >ASN~A 33 45.79 -15.97 60.87 46.41 -17.75 61.86 46.10 -16.86 61.36 2 0 1000.00 -999 ? >LEU~A 34 44.44 -10.06 61.58 42.27 -9.80 61.50 43.36 -9.93 61.54 3 0 1000.00 -999 ? >TYR~A 35 50.23 -12.64 60.60 50.71 -15.33 60.05 50.47 -13.99 60.32 3 0 1000.00 -999 ? >SER~A 36 48.41 -12.59 56.81 47.55 -14.83 57.19 47.98 -13.71 57.00 2 0 1000.00 -999 ? >ILE~A 37 43.88 -10.79 56.59 42.73 -10.07 56.89 43.30 -10.43 56.74 3 0 1000.00 -999 ? >SER~A 38 44.85 -9.14 52.59 43.77 -8.20 50.63 44.31 -8.67 51.61 2 0 1000.00 -999 ? >THR~A 39 45.29 -5.56 53.76 46.94 -4.35 54.50 46.12 -4.95 54.13 2 0 1000.00 -999 ? >VAL~A 40 43.16 -4.19 50.91 43.38 -3.81 48.78 43.27 -4.00 49.85 3 0 1000.00 -999 ? >GLU~A 41 40.22 -8.40 50.08 40.54 -10.46 49.77 40.38 -9.43 49.92 2 0 1000.00 -999 ? >LEU~A 42 41.54 -6.16 56.40 41.33 -6.78 58.47 41.44 -6.47 57.43 3 0 1000.00 -999 ? >ILE~A 43 41.57 -1.32 53.98 42.56 -0.29 53.75 42.06 -0.80 53.87 3 0 1000.00 -999 ? >GLN~A 44 38.31 -2.58 50.26 37.97 -3.23 48.26 38.14 -2.90 49.26 2 0 1000.00 -999 ? >ALA~A 45 35.73 -4.73 55.20 36.31 -6.05 55.77 36.02 -5.39 55.49 2 0 1000.00 -999 ? >PHE~A 46 38.44 -2.23 59.20 39.93 -3.76 61.01 39.19 -2.99 60.11 3 0 1000.00 -999 ? >ALA~A 47 34.41 0.51 55.68 34.77 0.92 54.26 34.59 0.71 54.97 2 0 1000.00 -999 ? >ASN~A 48 31.15 -2.88 54.71 31.58 -2.25 52.72 31.37 -2.56 53.71 2 0 1000.00 -999 ? >THR.A 49 31.27 -2.17 59.56 32.93 -2.44 60.92 32.10 -2.31 60.24 2 0 1000.00 -999 ? >PRO.A 50 27.71 -3.86 61.47 28.56 -1.81 61.05 28.13 -2.84 61.26 3 0 1000.00 -999 ? >ALA.A 51 27.92 1.98 62.93 27.04 3.13 62.47 27.48 2.56 62.70 2 0 1000.00 -999 ? >SER.A 52 26.81 0.44 66.22 25.85 -1.72 65.67 26.33 -0.64 65.95 2 0 1000.00 -999 ? >VAL.A 53 30.24 -1.11 66.80 31.31 -2.72 65.79 30.77 -1.91 66.29 3 0 1000.00 -999 ? >THR.A 54 32.07 0.87 69.48 30.37 1.43 70.69 31.22 1.15 70.09 2 0 1000.00 -999 ? >SER^A 55 34.57 -1.80 70.54 35.26 -2.95 72.55 34.92 -2.37 71.54 2 0 1000.00 -999 ? >LEU^A 56 37.60 -2.89 67.19 37.97 -3.64 65.16 37.79 -3.27 66.18 3 0 1000.00 -999 ? >ASN^A 57 38.42 -7.83 70.21 39.83 -8.96 71.36 39.12 -8.40 70.78 2 0 1000.00 -999 ? >LEU.A 58 42.84 -6.21 66.50 41.87 -5.14 64.86 42.35 -5.67 65.68 3 0 1000.00 -999 ? >SER.A 59 44.06 -9.40 69.87 42.54 -10.45 71.44 43.30 -9.92 70.66 2 0 1000.00 -999 ? >GLY.A 60 46.06 -12.57 69.17 45.89 -12.02 68.61 45.97 -12.29 68.89 1 0 1000.00 -999 ? >ASN.A 61 45.73 -10.72 64.94 43.69 -11.30 64.81 44.71 -11.01 64.87 2 0 1000.00 -999 ? >SER~A 62 50.46 -11.68 65.33 50.60 -14.09 65.18 50.53 -12.89 65.26 2 0 1000.00 -999 ? >LEU~A 63 49.11 -7.07 64.46 47.09 -7.05 63.62 48.10 -7.06 64.04 3 0 1000.00 -999 ? >GLY~A 64 53.75 -7.42 65.13 53.46 -7.85 64.50 53.61 -7.63 64.81 1 0 1000.00 -999 ? >PHE~A 65 55.86 -11.36 63.38 57.43 -12.03 65.56 56.64 -11.69 64.47 3 0 1000.00 -999 ? >LYS~A 66 52.50 -7.78 59.58 48.21 -8.09 56.70 50.35 -7.93 58.14 2 0 1000.00 -999 ? >ASN~A 67 53.78 -5.39 55.61 54.69 -3.77 54.58 54.23 -4.58 55.09 2 0 1000.00 -999 ? >SER~A 68 54.61 -2.23 59.06 56.51 -2.32 60.60 55.56 -2.28 59.83 2 0 1000.00 -999 ? >ASP~A 69 53.81 0.45 55.08 55.76 1.25 55.21 54.78 0.85 55.15 2 0 1000.00 -999 ? >GLU~A 70 50.65 -3.50 54.01 50.61 -5.40 53.10 50.63 -4.45 53.55 2 0 1000.00 -999 ? >LEU~A 71 50.65 -2.67 60.88 49.95 -3.40 62.84 50.30 -3.03 61.86 3 0 1000.00 -999 ? >VAL~A 72 49.54 1.53 59.85 51.03 3.13 59.71 50.28 2.33 59.78 3 0 1000.00 -999 ? >GLN~A 73 48.04 1.61 54.88 48.35 0.73 52.96 48.20 1.17 53.92 2 0 1000.00 -999 ? >ILE~A 74 45.13 -2.52 59.33 45.15 -3.83 59.24 45.14 -3.17 59.29 3 0 1000.00 -999 ? >LEU~A 75 45.99 1.20 63.12 46.74 -0.29 64.56 46.37 0.46 63.84 3 0 1000.00 -999 ? >ALA~A 76 44.01 4.18 60.31 44.88 4.84 59.25 44.44 4.51 59.78 2 0 1000.00 -999 ? >ALA~A 77 41.09 2.38 58.67 41.33 1.32 57.58 41.21 1.85 58.13 2 0 1000.00 -999 ? >ILE.A 78 40.03 1.46 63.34 40.41 0.82 64.57 40.22 1.14 63.96 3 0 1000.00 -999 ? >PRO.A 79 35.17 0.57 61.45 36.34 2.46 61.86 35.75 1.51 61.65 3 0 1000.00 -999 ? >ALA.A 80 35.19 6.28 63.52 34.67 7.53 62.79 34.93 6.90 63.15 2 0 1000.00 -999 ? >ASN.A 81 31.26 4.12 65.31 31.69 2.76 63.71 31.47 3.44 64.51 2 0 1000.00 -999 ? >VAL.A 82 35.06 2.60 67.48 36.10 0.77 66.87 35.58 1.68 67.18 3 0 1000.00 -999 ? >THR.A 83 36.22 4.02 70.81 35.11 4.61 72.55 35.66 4.32 71.68 2 0 1000.00 -999 ? >SER^A 84 37.81 0.99 72.44 37.56 -0.66 74.17 37.69 0.17 73.30 2 0 1000.00 -999 ? >LEU^A 85 41.46 -0.22 69.87 42.54 -0.90 68.08 42.00 -0.56 68.98 3 0 1000.00 -999 ? >ASN^A 86 41.35 -5.40 72.51 42.38 -6.84 73.68 41.86 -6.12 73.10 2 0 1000.00 -999 ? >LEU.A 87 46.49 -3.62 70.05 46.12 -2.43 68.29 46.30 -3.03 69.17 3 0 1000.00 -999 ? >SER.A 88 46.86 -7.28 73.14 45.03 -8.53 74.17 45.94 -7.91 73.65 2 0 1000.00 -999 ? >GLY.A 89 48.81 -10.47 72.31 48.76 -9.81 71.83 48.78 -10.14 72.07 1 0 1000.00 -999 ? >ASN.A 90 49.48 -8.02 68.45 47.54 -8.53 67.68 48.51 -8.28 68.07 2 0 1000.00 -999 ? >PHE~A 91 54.17 -11.92 68.82 53.73 -14.54 69.66 53.95 -13.23 69.24 3 0 1000.00 -999 ? >LEU~A 92 53.19 -4.69 69.64 51.22 -4.56 68.58 52.21 -4.63 69.11 3 0 1000.00 -999 ? >SER~A 93 57.65 -5.55 70.62 57.47 -5.30 72.98 57.56 -5.42 71.80 2 0 1000.00 -999 ? >TYR~A 94 59.09 -9.77 67.75 59.72 -12.01 69.29 59.40 -10.89 68.52 3 0 1000.00 -999 ? >LYS~A 95 58.57 -3.96 65.79 54.97 -4.55 62.38 56.77 -4.25 64.09 2 0 1000.00 -999 ? >SER~A 96 61.53 -1.57 65.91 61.73 -0.56 63.68 61.63 -1.06 64.79 2 0 1000.00 -999 ? >SER~A 97 61.21 1.75 67.71 61.96 3.21 69.51 61.59 2.48 68.61 2 0 1000.00 -999 ? >ASP~A 98 61.71 3.81 63.35 63.36 4.96 64.02 62.54 4.38 63.69 2 0 1000.00 -999 ? >GLU~A 99 59.08 -0.62 61.69 59.80 -2.60 61.76 59.44 -1.61 61.73 2 0 1000.00 -999 ? >LEU~A 100 57.04 0.65 67.85 56.00 -0.54 69.32 56.52 0.06 68.59 3 0 1000.00 -999 ? >VAL~A 101 56.12 4.92 66.68 57.47 6.64 66.74 56.79 5.78 66.71 3 0 1000.00 -999 ? >LYS~A 102 54.26 5.00 63.37 57.17 3.84 58.33 55.71 4.42 60.85 2 0 1000.00 -999 ? >THR~A 103 52.06 2.07 64.35 52.38 -0.06 64.51 52.22 1.00 64.43 2 0 1000.00 -999 ? >LEU~A 104 51.71 3.79 68.90 51.90 2.06 70.22 51.81 2.92 69.56 3 0 1000.00 -999 ? >ALA~A 105 50.53 7.12 65.95 51.67 7.94 65.33 51.10 7.53 65.64 2 0 1000.00 -999 ? >ALA~A 106 48.22 5.46 63.42 48.63 4.25 62.58 48.42 4.85 63.00 2 0 1000.00 -999 ? >ILE.A 107 45.88 4.16 67.54 45.90 3.20 68.59 45.89 3.68 68.06 3 0 1000.00 -999 ? >PRO.A 108 41.73 5.11 64.31 43.10 6.43 65.49 42.42 5.77 64.90 3 0 1000.00 -999 ? >PHE.A 109 42.11 12.35 68.54 42.11 14.10 70.71 42.11 13.22 69.63 3 0 1000.00 -999 ? >THR.A 110 38.62 8.44 68.13 37.26 7.38 66.80 37.94 7.91 67.46 2 0 1000.00 -999 ? >ILE.A 111 41.27 4.81 70.03 40.65 3.52 69.99 40.96 4.17 70.01 3 0 1000.00 -999 ? >THR.A 112 39.93 6.52 74.17 37.97 7.40 74.33 38.95 6.96 74.25 2 0 1000.00 -999 ? >VAL^A 113 40.48 3.00 75.56 39.01 2.12 76.92 39.74 2.56 76.24 3 0 1000.00 -999 ? >LEU^A 114 44.63 1.86 73.92 45.93 1.30 72.24 45.28 1.58 73.08 3 0 1000.00 -999 ? >ASP^A 115 43.72 -3.71 75.49 44.33 -5.31 76.79 44.02 -4.51 76.14 2 0 1000.00 -999 ? >LEU.A 116 49.39 -2.02 74.67 49.54 -0.58 73.04 49.46 -1.30 73.86 3 0 1000.00 -999 ? >GLY.A 117 48.56 -6.20 77.07 48.72 -6.19 76.25 48.64 -6.19 76.66 1 0 1000.00 -999 ? >TRP.A 118 47.93 -10.30 78.11 49.99 -13.03 80.03 48.96 -11.67 79.07 3 0 1000.00 -999 ? >ASN.A 119 52.59 -6.22 73.30 50.85 -6.38 72.05 51.72 -6.30 72.67 2 0 1000.00 -999 ? >ASP~A 120 57.18 -9.10 74.28 56.41 -11.04 73.92 56.79 -10.07 74.10 2 0 1000.00 -999 ? >PHE~A 121 55.14 -3.24 75.53 53.74 -2.40 73.29 54.44 -2.82 74.41 3 0 1000.00 -999 ? >SER~A 122 59.47 -5.85 79.10 59.77 -8.24 79.26 59.62 -7.05 79.18 2 0 1000.00 -999 ? >SER~A 123 61.93 -6.14 76.18 60.79 -6.24 74.06 61.36 -6.19 75.12 2 0 1000.00 -999 ? >LYS~A 124 61.84 -2.34 75.79 60.66 -2.94 70.69 61.25 -2.64 73.24 2 0 1000.00 -999 ? >SER~A 125 64.08 0.08 77.69 65.22 1.60 76.23 64.65 0.84 76.96 2 0 1000.00 -999 ? >SER~A 126 62.45 3.11 79.29 64.11 4.15 80.72 63.28 3.63 80.00 2 0 1000.00 -999 ? >SER~A 127 63.84 5.22 76.41 66.07 6.14 76.70 64.96 5.68 76.55 2 0 1000.00 -999 ? >GLU~A 128 63.85 1.33 73.00 64.52 -0.70 72.94 64.19 0.32 72.97 2 0 1000.00 -999 ? >PHE~A 129 58.18 1.48 77.83 57.07 -0.97 78.55 57.63 0.25 78.19 3 0 1000.00 -999 ? >LYS~A 130 59.10 6.86 76.03 61.13 8.53 80.20 60.11 7.70 78.11 2 0 1000.00 -999 ? >GLN~A 131 60.77 6.60 70.00 62.50 5.86 69.00 61.64 6.23 69.50 2 0 1000.00 -999 ? >ALA~A 132 56.81 4.54 71.60 56.79 3.09 72.07 56.80 3.81 71.84 2 0 1000.00 -999 ? >PHE~A 133 53.88 4.29 75.74 53.41 1.64 76.42 53.65 2.97 76.08 3 0 1000.00 -999 ? >SER~A 134 54.90 9.65 73.06 56.90 9.98 71.71 55.90 9.82 72.38 2 0 1000.00 -999 ? >ASN.A 135 53.92 8.46 68.58 55.77 9.47 68.23 54.84 8.96 68.40 2 0 1000.00 -999 ? >LEU.A 136 49.64 6.97 72.43 49.75 4.84 72.79 49.69 5.91 72.61 3 0 1000.00 -999 ? >PRO.A 137 45.86 7.68 69.66 47.33 9.27 70.27 46.60 8.48 69.96 3 0 1000.00 -999 ? >ALA.A 138 46.12 12.17 73.15 46.42 13.68 73.15 46.27 12.93 73.15 2 0 1000.00 -999 ? >SER.A 139 42.55 10.85 73.17 42.51 9.36 71.27 42.53 10.10 72.22 2 0 1000.00 -999 ? >ILE.A 140 44.76 6.87 74.81 45.33 5.64 74.39 45.05 6.26 74.60 3 0 1000.00 -999 ? >THR.A 141 42.43 8.02 78.83 40.48 8.97 78.66 41.46 8.50 78.75 2 0 1000.00 -999 ? >SER^A 142 42.55 4.29 79.57 41.26 2.42 80.35 41.91 3.36 79.96 2 0 1000.00 -999 ? >LEU^A 143 47.00 3.11 78.83 48.76 2.72 77.62 47.88 2.91 78.23 3 0 1000.00 -999 ? >ASN^A 144 44.97 -2.39 79.10 44.66 -4.09 80.35 44.82 -3.24 79.73 2 0 1000.00 -999 ? >LEU.A 145 50.68 -1.82 80.57 51.41 -0.09 79.41 51.04 -0.95 79.99 3 0 1000.00 -999 ? >ARG.A 146 45.20 -7.35 80.15 44.11 -9.04 77.81 44.66 -8.20 78.98 2 0 1000.00 -999 ? >GLY.A 147 50.88 -9.18 81.08 51.12 -8.45 80.95 51.00 -8.82 81.01 1 0 1000.00 -999 ? >ASN.A 148 53.97 -5.94 79.45 52.78 -5.72 77.70 53.37 -5.83 78.58 2 0 1000.00 -999 ? >ASP~A 149 57.20 -9.84 82.04 58.47 -10.85 83.44 57.84 -10.34 82.74 2 0 1000.00 -999 ? >LEU~A 150 55.91 -4.23 84.13 55.33 -3.07 82.38 55.62 -3.65 83.26 3 0 1000.00 -999 ? >GLY~A 151 57.96 -6.93 87.30 58.36 -6.96 86.60 58.16 -6.95 86.95 1 0 1000.00 -999 ? >ILE~A 152 61.33 -8.98 84.41 61.97 -9.53 83.27 61.65 -9.25 83.84 3 0 1000.00 -999 ? >LYS~A 153 62.32 -4.49 85.10 63.44 -3.48 80.28 62.88 -3.98 82.69 2 0 1000.00 -999 ? >SER~A 154 64.80 -2.91 87.52 66.05 -1.11 86.47 65.43 -2.01 87.00 2 0 1000.00 -999 ? >SER~A 155 63.08 -0.39 89.75 64.50 -0.04 91.68 63.79 -0.21 90.71 2 0 1000.00 -999 ? >ASP~A 156 66.46 2.65 87.96 67.47 2.82 89.83 66.96 2.74 88.89 2 0 1000.00 -999 ? >GLU~A 157 63.99 0.34 82.43 65.48 1.60 81.60 64.74 0.97 82.01 2 0 1000.00 -999 ? >LEU~A 158 59.71 0.01 87.12 58.63 -1.86 86.97 59.17 -0.93 87.05 3 0 1000.00 -999 ? >ILE~A 159 60.96 4.97 88.54 61.21 5.49 89.84 61.09 5.23 89.19 3 0 1000.00 -999 ? >GLN~A 160 63.64 6.33 84.11 63.16 8.30 84.74 63.40 7.31 84.43 2 0 1000.00 -999 ? >ILE~A 161 58.32 2.28 82.35 58.26 1.00 81.76 58.29 1.64 82.06 3 0 1000.00 -999 ? >LEU~A 162 55.85 5.39 86.10 54.51 4.08 87.18 55.18 4.73 86.64 3 0 1000.00 -999 ? >ALA~A 163 57.23 8.73 83.36 58.69 9.20 83.47 57.96 8.96 83.42 2 0 1000.00 -999 ? >ALA~A 164 56.41 7.60 79.81 57.17 6.46 79.11 56.79 7.03 79.46 2 0 1000.00 -999 ? >ILE.A 165 51.98 6.80 81.73 51.46 5.49 81.42 51.72 6.14 81.58 3 0 1000.00 -999 ? >PRO.A 166 50.58 8.22 76.66 51.16 9.24 78.56 50.87 8.73 77.61 3 0 1000.00 -999 ? >ALA.A 167 49.62 12.77 80.47 50.03 14.23 80.28 49.82 13.50 80.37 2 0 1000.00 -999 ? >ASN.A 168 45.62 12.19 77.81 47.08 11.33 76.48 46.35 11.76 77.14 2 0 1000.00 -999 ? >VAL.A 169 45.90 8.58 80.75 46.89 6.68 80.25 46.39 7.63 80.50 3 0 1000.00 -999 ? >ASN.A 170 42.57 9.51 84.05 40.80 8.88 83.09 41.68 9.20 83.57 2 0 1000.00 -999 ? >SER^A 171 43.19 4.80 84.07 41.53 3.04 84.09 42.36 3.92 84.08 2 0 1000.00 -999 ? >LEU^A 172 47.48 3.07 84.73 49.51 2.78 83.98 48.50 2.93 84.35 3 0 1000.00 -999 ? >ASN^A 173 45.01 -2.05 83.22 44.31 -3.91 84.03 44.66 -2.98 83.63 2 0 1000.00 -999 ? >LEU.A 174 49.99 -2.31 86.50 51.17 -0.55 86.00 50.58 -1.43 86.25 3 0 1000.00 -999 ? >ARG.A 175 44.37 -8.28 84.68 43.79 -11.20 85.45 44.08 -9.74 85.06 2 0 1000.00 -999 ? >GLY.A 176 49.49 -9.62 85.81 49.80 -8.89 85.80 49.64 -9.25 85.80 1 0 1000.00 -999 ? >ASN.A 177 53.02 -6.56 85.52 52.42 -5.91 83.57 52.72 -6.24 84.54 2 0 1000.00 -999 ? >ASN~A 178 55.63 -11.00 87.77 54.84 -12.61 86.61 55.23 -11.81 87.19 2 0 1000.00 -999 ? >LEU~A 179 54.03 -5.73 90.42 53.81 -4.10 88.96 53.92 -4.91 89.69 3 0 1000.00 -999 ? >ALA~A 180 55.57 -8.69 93.64 54.51 -9.50 94.39 55.04 -9.09 94.01 2 0 1000.00 -999 ? >SER~A 181 58.78 -10.12 92.13 58.24 -11.12 89.97 58.51 -10.62 91.05 2 0 1000.00 -999 ? >LYS~A 182 60.36 -6.90 93.34 62.42 -5.79 89.82 61.39 -6.35 91.58 2 0 1000.00 -999 ? >ASN~A 183 62.62 -6.31 97.64 63.67 -4.50 97.21 63.15 -5.41 97.42 2 0 1000.00 -999 ? >CYH~A 184 59.04 -4.11 99.19 57.84 -3.02 101.52 58.44 -3.57 100.35 2 0 1000.00 -999 ? >ALA~A 185 61.15 -0.97 99.04 62.58 -0.82 99.56 61.87 -0.89 99.30 2 0 1000.00 -999 ? >GLU~A 186 63.54 -2.30 94.57 64.29 -3.99 93.60 63.91 -3.14 94.08 2 0 1000.00 -999 ? >LEU~A 187 57.01 -3.06 95.22 55.42 -3.95 94.03 56.22 -3.50 94.63 3 0 1000.00 -999 ? >ALA~A 188 56.83 1.04 97.24 57.22 1.12 98.74 57.02 1.08 97.99 2 0 1000.00 -999 ? >LYS~A 189 59.02 3.51 95.33 65.10 3.43 97.22 62.06 3.47 96.27 2 0 1000.00 -999 ? >PHE~A 190 56.45 0.77 90.34 54.85 0.45 88.09 55.65 0.61 89.21 3 0 1000.00 -999 ? >LEU~A 191 53.24 2.19 94.41 52.26 0.29 93.87 52.75 1.24 94.14 3 0 1000.00 -999 ? >ALA~A 192 54.85 6.41 94.81 55.97 6.67 95.79 55.41 6.54 95.30 2 0 1000.00 -999 ? >SER~A 193 55.76 7.46 91.26 58.14 7.19 91.53 56.95 7.32 91.40 2 0 1000.00 -999 ? >ILE.A 194 51.16 5.98 90.42 50.69 4.94 89.46 50.92 5.46 89.94 3 0 1000.00 -999 ? >PRO.A 195 52.50 8.35 85.80 51.88 9.08 87.83 52.19 8.72 86.81 3 0 1000.00 -999 ? >ALA.A 196 49.56 12.55 88.95 49.98 14.02 88.96 49.77 13.28 88.96 2 0 1000.00 -999 ? >SER.A 197 47.19 11.93 86.05 46.67 12.10 83.70 46.93 12.02 84.88 2 0 1000.00 -999 ? >VAL.A 198 46.29 8.40 87.02 47.42 6.61 86.49 46.85 7.51 86.75 3 0 1000.00 -999 ? >THR.A 199 43.28 8.23 89.32 42.07 9.83 88.59 42.68 9.03 88.95 2 0 1000.00 -999 ? >SER^A 200 42.37 4.59 88.59 40.04 4.98 88.07 41.21 4.78 88.33 2 0 1000.00 -999 ? >LEU^A 201 45.96 2.17 90.02 48.07 1.62 89.90 47.02 1.90 89.96 3 0 1000.00 -999 ? >ASP^A 202 43.96 -2.51 87.18 43.16 -4.45 87.44 43.56 -3.48 87.31 2 0 1000.00 -999 ? >LEU.A 203 47.76 -3.45 91.72 49.10 -1.72 91.79 48.43 -2.59 91.75 3 0 1000.00 -999 ? >SER.A 204 45.24 -7.32 90.22 43.86 -7.47 88.20 44.55 -7.39 89.21 2 0 1000.00 -999 ? >ALA.A 205 47.01 -10.68 89.75 46.51 -11.17 88.42 46.76 -10.92 89.08 2 0 1000.00 -999 ? >ASN.A 206 50.62 -7.85 90.82 50.60 -6.94 88.87 50.61 -7.40 89.84 2 0 1000.00 -999 ? >LEU~A 207 52.53 -12.61 92.98 52.87 -14.16 91.48 52.70 -13.38 92.23 3 0 1000.00 -999 ? >LEU~A 208 50.08 -7.96 96.06 50.58 -6.19 94.86 50.33 -7.07 95.46 3 0 1000.00 -999 ? >GLY~A 209 49.79 -11.89 98.57 50.52 -11.85 98.23 50.15 -11.87 98.40 1 0 1000.00 -999 ? >LEU~A 210 54.20 -13.61 97.48 53.68 -15.34 96.24 53.94 -14.48 96.86 3 0 1000.00 -999 ? >LYS~A 211 54.38 -10.16 100.66 57.39 -6.90 97.59 55.88 -8.53 99.13 2 0 1000.00 -999 ? >SER~A 212 54.10 -9.90 104.46 55.55 -8.34 105.63 54.82 -9.12 105.05 2 0 1000.00 -999 ? >TYR~A 213 49.16 -8.95 106.17 47.16 -10.52 105.06 48.16 -9.73 105.61 3 0 1000.00 -999 ? >ALA~A 214 53.80 -5.24 107.19 54.91 -5.53 108.20 54.35 -5.38 107.69 2 0 1000.00 -999 ? >GLU~A 215 57.32 -6.39 103.02 57.97 -8.23 102.23 57.65 -7.31 102.63 2 0 1000.00 -999 ? >LEU~A 216 50.67 -5.61 102.18 50.25 -7.09 100.66 50.46 -6.35 101.42 3 0 1000.00 -999 ? >ALA~A 217 50.98 -1.84 104.58 51.12 -1.94 106.09 51.05 -1.89 105.34 2 0 1000.00 -999 ? >TYR~A 218 56.53 0.73 103.33 58.36 2.72 102.68 57.44 1.72 103.01 3 0 1000.00 -999 ? >ILE~A 219 53.17 -2.07 99.17 53.58 -3.10 98.31 53.38 -2.59 98.74 3 0 1000.00 -999 ? >PHE~A 220 48.13 -1.51 100.50 47.41 -4.08 99.71 47.77 -2.79 100.10 3 0 1000.00 -999 ? >SER~A 221 50.59 3.69 101.94 52.39 3.08 103.48 51.49 3.39 102.71 2 0 1000.00 -999 ? >SER~A 222 52.99 4.55 99.09 55.13 3.63 99.72 54.06 4.09 99.41 2 0 1000.00 -999 ? >ILE~A 223 48.90 3.81 96.46 48.15 2.78 95.85 48.53 3.30 96.16 3 0 1000.00 -999 ? >PRO.A 224 51.14 8.07 94.03 49.89 7.78 95.87 50.51 7.92 94.95 3 0 1000.00 -999 ? >ASN.A 225 46.97 12.02 97.66 45.56 13.41 96.87 46.26 12.72 97.27 2 0 1000.00 -999 ? >HIS.A 226 47.49 11.26 92.17 49.30 10.35 91.60 48.40 10.81 91.89 3 0 1000.00 -999 ? >VAL.A 227 44.51 7.43 92.94 45.92 5.72 92.95 45.21 6.57 92.95 3 0 1000.00 -999 ? >VAL.A 228 41.02 7.00 94.30 40.22 8.95 93.72 40.62 7.97 94.01 3 0 1000.00 -999 ? >SER^A 229 40.17 3.73 92.56 38.70 2.61 90.98 39.43 3.17 91.77 2 0 1000.00 -999 ? >LEU^A 230 43.08 0.72 94.34 45.14 0.03 94.66 44.11 0.38 94.50 3 0 1000.00 -999 ? >ASN^A 231 41.48 -3.35 90.45 40.61 -5.28 90.14 41.05 -4.31 90.29 2 0 1000.00 -999 ? >LEU.A 232 43.42 -5.13 95.72 44.81 -3.75 96.65 44.12 -4.44 96.18 3 0 1000.00 -999 ? >CYH.A 233 41.82 -8.77 93.04 39.16 -8.02 92.47 40.49 -8.40 92.75 2 0 1000.00 -999 ? >LEU.A 234 43.56 -12.31 90.91 41.95 -13.36 89.88 42.75 -12.83 90.39 3 0 1000.00 -999 ? >ASN.A 235 46.69 -9.81 95.11 47.56 -8.62 93.56 47.13 -9.21 94.34 2 0 1000.00 -999 ? >CYH.A 236 46.33 -14.45 96.69 47.31 -15.86 94.43 46.82 -15.16 95.56 2 0 1000.00 -999 ? >LEU.A 237 44.96 -11.72 100.51 45.55 -9.66 100.10 45.26 -10.69 100.30 3 0 1000.00 -999 ? >HIS.A 238 48.28 -17.27 103.68 48.86 -18.36 105.38 48.57 -17.82 104.53 3 0 1000.00 -999 ? >GLY.A 239 45.78 -15.96 106.41 45.70 -15.33 105.92 45.74 -15.65 106.16 1 0 1000.00 -999 ? >PRO.A 240 42.63 -13.52 104.96 44.10 -13.34 106.65 43.37 -13.43 105.81 3 0 1000.00 -999 ? >SER~A 241 44.25 -12.95 110.60 46.61 -12.67 111.10 45.43 -12.81 110.85 2 0 1000.00 -999 ? >LEU~A 242 41.99 -10.35 113.94 40.05 -9.35 114.05 41.02 -9.85 114.00 3 0 1000.00 -999 ? >GLU~A 243 46.81 -9.86 115.93 46.12 -8.08 116.83 46.46 -8.97 116.38 2 0 1000.00 -999 ? >ASN~A 244 47.44 -10.26 109.07 49.02 -11.64 109.36 48.23 -10.95 109.21 2 0 1000.00 -999 ? >LEU~A 245 43.18 -7.43 108.89 42.69 -8.68 107.17 42.93 -8.05 108.03 3 0 1000.00 -999 ? >LEU~A 247 49.74 -4.71 109.77 51.12 -5.64 111.19 50.43 -5.17 110.48 3 0 1000.00 -999 ? >LEU~A 248 46.13 -3.27 106.05 46.93 -4.98 104.94 46.53 -4.13 105.49 3 0 1000.00 -999 ? >LYS.A 249 45.10 0.27 109.06 42.94 3.62 112.67 44.02 1.95 110.87 2 0 1000.00 -999 ? >ASP.A 250 45.37 4.55 108.18 43.87 5.41 109.43 44.62 4.98 108.81 2 0 1000.00 -999 ? >SER.A 251 47.20 2.34 104.39 47.03 -0.08 104.00 47.11 1.13 104.19 2 0 1000.00 -999 ? >LEU.A 252 43.92 1.72 101.10 44.86 0.16 99.90 44.39 0.94 100.50 3 0 1000.00 -999 ? >LYS.A 253 42.86 6.00 103.21 47.65 7.81 106.04 45.25 6.90 104.63 2 0 1000.00 -999 ? >HIS.A 254 45.08 8.93 100.11 46.53 9.68 101.42 45.81 9.30 100.77 3 0 1000.00 -999 ? >LEU.A 255 40.82 3.81 98.37 42.49 2.74 97.46 41.65 3.27 97.91 3 0 1000.00 -999 ? >GLN.A 256 37.15 8.55 96.85 37.15 10.22 95.54 37.15 9.39 96.20 2 0 1000.00 -999 ? >THR^A 257 36.64 2.78 95.08 35.49 2.67 93.24 36.07 2.73 94.16 2 0 1000.00 -999 ? >VAL^A 258 38.24 -0.62 95.74 38.86 -1.57 97.65 38.55 -1.10 96.70 3 0 1000.00 -999 ? >TYR^A 259 37.52 -3.16 91.61 36.36 -1.29 89.89 36.94 -2.22 90.75 3 0 1000.00 -999 ? >LEU^A 260 37.75 -6.82 97.64 38.62 -5.44 99.09 38.19 -6.13 98.37 3 0 1000.00 -999 ? >ASP^A 261 39.11 -11.82 95.90 40.37 -11.96 94.22 39.74 -11.89 95.06 2 0 1000.00 -999 ? >TYR~A 262 32.35 -13.26 96.71 30.45 -14.91 97.90 31.40 -14.08 97.30 3 0 1000.00 -999 ? >ASP~A 263 37.00 -16.28 96.67 35.80 -17.73 95.74 36.40 -17.00 96.21 2 0 1000.00 -999 ? >ILE~A 264 39.57 -12.63 99.83 41.08 -12.33 99.96 40.32 -12.48 99.89 3 0 1000.00 -999 ? >VAL~A 265 35.97 -11.53 102.06 35.31 -9.88 100.81 35.64 -10.71 101.43 3 0 1000.00 -999 ? >ASN.A 267 36.11 -17.27 104.54 35.47 -18.74 103.15 35.79 -18.01 103.84 2 0 1000.00 -999 ? >MET?A 268 35.89 -13.29 107.02 38.08 -10.14 105.14 36.98 -11.71 106.08 2 0 1000.00 -999 ? >SER~A 269 34.30 -12.61 110.40 35.92 -11.86 112.03 35.11 -12.24 111.22 2 0 1000.00 -999 ? >LYS~A 270 32.64 -9.30 111.25 28.55 -11.93 112.59 30.59 -10.61 111.92 2 0 1000.00 -999 ? >GLU~A 271 35.51 -8.98 115.47 33.96 -10.44 115.31 34.74 -9.71 115.39 2 0 1000.00 -999 ? >GLN~A 272 39.01 -11.51 110.13 38.92 -13.52 109.43 38.97 -12.52 109.78 2 0 1000.00 -999 ? >CYH~A 273 35.69 -7.20 107.70 33.78 -8.94 106.59 34.73 -8.07 107.14 2 0 1000.00 -999 ? >LYS~A 274 35.83 -4.18 109.99 33.94 -1.46 111.94 34.88 -2.82 110.97 2 0 1000.00 -999 ? >ALA~A 275 39.61 -4.57 110.12 40.35 -5.76 110.71 39.98 -5.16 110.42 2 0 1000.00 -999 ? >LEU~A 276 39.48 -5.87 105.38 40.17 -6.17 103.31 39.82 -6.02 104.35 3 0 1000.00 -999 ? >GLY~A 277 37.58 -1.88 105.96 38.29 -1.94 106.39 37.93 -1.91 106.18 1 0 1000.00 -999 ? >ALA~A 278 39.89 0.05 108.29 40.27 -0.40 109.71 40.08 -0.18 109.00 2 0 1000.00 -999 ? >ALA.A 279 42.57 0.00 105.59 42.96 -1.18 104.72 42.76 -0.59 105.15 2 0 1000.00 -999 ? >PHE.A 280 39.41 0.34 102.10 38.51 -2.31 101.97 38.96 -0.98 102.04 3 0 1000.00 -999 ? >PRO.A 281 40.48 4.58 107.10 38.80 4.04 105.71 39.64 4.31 106.40 3 0 1000.00 -999 ? >ASN.A 282 37.92 7.96 103.13 38.90 8.74 104.86 38.41 8.35 103.99 2 0 1000.00 -999 ? >ILE.A 283 35.88 2.60 101.18 35.91 2.24 100.49 35.89 2.42 100.83 3 0 1000.00 -999 ? >GLN.A 284 31.63 6.90 97.69 31.69 9.03 97.58 31.66 7.97 97.64 2 0 1000.00 -999 ? >LYS^A 285 32.26 2.05 96.75 28.96 -0.09 92.97 30.61 0.98 94.86 2 0 1000.00 -999 ? >ILE^A 286 33.26 -2.20 98.79 34.00 -2.84 99.96 33.63 -2.52 99.38 3 0 1000.00 -999 ? >ILE^A 287 33.47 -3.35 93.18 33.17 -2.78 91.92 33.32 -3.06 92.55 3 0 1000.00 -999 ? >LEU^A 288 32.65 -8.43 96.17 32.96 -8.00 98.29 32.81 -8.21 97.23 3 0 1000.00 -999 ? >VAL^A 289 34.49 -9.75 92.15 35.81 -8.74 90.76 35.15 -9.25 91.46 3 0 1000.00 -999 ? >ASP.A 290 32.61 -14.08 90.96 32.35 -13.73 88.89 32.48 -13.91 89.93 2 0 1000.00 -999 ? >ASN.A 292 34.79 -15.85 86.00 34.27 -17.82 86.64 34.53 -16.83 86.32 2 0 1000.00 -999 ? >GLY.A 293 36.46 -11.51 87.31 35.72 -11.84 87.27 36.09 -11.68 87.29 1 0 1000.00 -999 ? >LYS.A 294 32.75 -10.69 87.24 27.29 -10.81 86.10 30.02 -10.75 86.67 2 0 1000.00 -999 ? >GLU.A 295 32.58 -5.75 88.48 32.35 -3.67 88.14 32.47 -4.71 88.31 2 0 1000.00 -999 ? >ILE.A 296 29.27 -10.00 93.02 29.38 -11.24 93.66 29.32 -10.62 93.34 3 0 1000.00 -999 ? >HIS~A 297 23.76 -5.65 91.42 22.68 -3.85 91.31 23.22 -4.75 91.36 3 0 1000.00 -999 ? >PRO~A 298 26.33 -4.09 95.54 25.28 -6.06 95.28 25.80 -5.08 95.41 3 0 1000.00 -999 ? >SER~A 299 21.28 -5.81 95.46 20.58 -4.18 93.78 20.93 -4.99 94.62 2 0 1000.00 -999 ? >HIS~A 300 21.17 -9.62 91.99 22.37 -9.36 90.29 21.77 -9.49 91.14 3 0 1000.00 -999 ? >SER~A 301 22.70 -11.26 97.24 24.56 -12.77 97.62 23.63 -12.01 97.43 2 0 1000.00 -999 ? >ILE~A 302 20.97 -11.73 101.78 19.87 -12.00 102.33 20.42 -11.86 102.06 3 0 1000.00 -999 ? >PRO~A 303 24.71 -14.35 101.33 24.77 -12.14 101.77 24.74 -13.25 101.55 3 0 1000.00 -999 ? >ILE~A 304 27.04 -9.80 98.00 27.48 -10.31 97.49 27.26 -10.06 97.75 3 0 1000.00 -999 ? >SER~A 305 25.10 -6.95 100.82 23.13 -5.55 101.08 24.12 -6.25 100.95 2 0 1000.00 -999 ? >ASN~A 306 25.72 -9.16 105.16 23.63 -9.41 105.50 24.67 -9.28 105.33 2 0 1000.00 -999 ? >LEU~A 307 30.32 -8.97 102.31 30.81 -11.09 102.72 30.57 -10.03 102.51 3 0 1000.00 -999 ? >ILE~A 308 29.05 -4.21 100.72 29.01 -3.70 99.37 29.03 -3.95 100.05 3 0 1000.00 -999 ? >ARG~A 309 24.50 -2.86 106.67 25.26 -5.03 108.70 24.88 -3.94 107.69 2 0 1000.00 -999 ? >GLU~A 310 30.86 -6.53 108.97 29.36 -5.96 110.36 30.11 -6.24 109.67 2 0 1000.00 -999 ? >LEU~A 311 33.86 -4.30 103.71 34.82 -6.20 103.26 34.34 -5.25 103.49 3 0 1000.00 -999 ? >SER~A 312 32.17 -0.11 104.63 30.87 -0.37 102.60 31.52 -0.24 103.61 2 0 1000.00 -999 ? >GLY~A 313 31.73 0.24 108.39 31.14 0.35 107.82 31.43 0.29 108.10 1 0 1000.00 -999 ? >ALA.A 315 25.65 0.74 110.63 26.05 1.44 111.93 25.85 1.09 111.28 2 0 1000.00 -999 ? >ASP.A 316 21.44 -1.53 110.30 22.46 -3.27 110.99 21.95 -2.40 110.64 2 0 1000.00 -999 ? >PRO.A 318 19.19 -4.09 113.74 20.04 -2.55 115.13 19.61 -3.32 114.44 3 0 1000.00 -999 ? >SER.A 319 23.99 -2.73 115.49 24.66 -3.65 113.35 24.32 -3.19 114.42 2 0 1000.00 -999 ? >LEU.A 320 23.02 1.93 116.51 24.15 3.06 115.01 23.59 2.49 115.76 3 0 1000.00 -999 ?