REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-JUL-06 2HRX COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; SOURCE 3 ORGANISM_TAXID: 1717; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR A.P.KUZIN,M.SU,S.JAYARAMAN,C.K.HO,H.JANJUA,K.CUNNINGHAM, AUTHOR 2 L.C.MA,R.XIAO,J.LIU,M.BARAN,T.B.ACTON,B.ROST,G.T.MONTELIONE, AUTHOR 3 L.TONG,J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM AUTHOR 4 (NESG) HET MSE A 1 8 HET MSE A 10 8 HET MSE A 19 8 HET MSE A 27 8 HET MSE A 115 8 HET MSE A 132 8 HET MSE A 178 8 HET MSE A 183 8 >MET?A 1 21.89 41.36 13.21 22.91 37.95 10.87 22.40 39.65 12.04 2 0 1000.00 -999 ? >PHE.A 2 17.83 40.92 16.30 16.38 43.32 16.28 17.10 42.12 16.29 3 0 1000.00 -999 ? >ALA.A 3 21.02 36.10 15.65 20.76 35.32 14.36 20.89 35.71 15.01 2 0 1000.00 -999 ? >ASP.A 4 25.28 35.25 15.22 27.11 34.59 16.03 26.19 34.92 15.62 2 0 1000.00 -999 ? >ARG~A 5 29.71 40.27 16.69 31.67 42.24 15.40 30.69 41.25 16.04 2 0 1000.00 -999 ? >LEU~A 6 27.17 41.33 10.56 26.34 41.97 8.67 26.75 41.65 9.62 3 0 1000.00 -999 ? >PHE~A 7 31.52 39.93 9.11 32.01 42.53 8.15 31.76 41.23 8.63 3 0 1000.00 -999 ? >ASN~A 8 28.93 34.50 12.70 30.67 34.93 13.82 29.80 34.72 13.26 2 0 1000.00 -999 ? >ALA~A 9 26.00 34.48 9.00 24.85 35.47 9.13 25.42 34.97 9.07 2 0 1000.00 -999 ? >MET?A 10 28.24 34.71 5.94 26.59 37.32 4.73 27.42 36.02 5.34 2 0 1000.00 -999 ? >GLU~A 11 30.73 30.54 2.37 28.97 29.48 2.87 29.85 30.01 2.62 2 0 1000.00 -999 ? >ARG~A 12 33.42 31.17 8.93 34.34 32.28 11.63 33.88 31.73 10.28 2 0 1000.00 -999 ? >ASN~A 13 36.46 33.89 1.54 34.56 33.88 0.54 35.51 33.89 1.04 2 0 1000.00 -999 ? >GLU~A 14 40.79 29.28 3.53 41.80 29.47 5.39 41.29 29.37 4.46 2 0 1000.00 -999 ? >PRO~A 15 41.86 34.56 6.12 42.13 34.06 3.96 42.00 34.31 5.04 3 0 1000.00 -999 ? >ALA~A 16 45.24 35.00 1.19 44.82 34.00 0.11 45.03 34.50 0.65 2 0 1000.00 -999 ? >PRO~A 17 49.16 36.46 -0.14 47.02 37.06 -0.29 48.09 36.76 -0.22 3 0 1000.00 -999 ? >GLY~A 18 44.84 39.58 -2.90 44.62 39.46 -2.12 44.73 39.52 -2.51 1 0 1000.00 -999 ? >MET?A 19 41.90 39.26 -0.53 40.24 36.41 -1.59 41.07 37.83 -1.06 2 0 1000.00 -999 ? >VAL~A 20 40.66 42.17 1.60 39.60 43.47 0.18 40.13 42.82 0.89 3 0 1000.00 -999 ? >LEU~A 21 40.67 41.90 6.38 41.95 40.21 6.87 41.31 41.05 6.63 3 0 1000.00 -999 ? >VAL~A 22 36.47 44.09 5.76 34.92 44.36 4.25 35.69 44.23 5.00 3 0 1000.00 -999 ? >ALA~A 23 35.99 45.56 9.23 36.49 46.93 9.69 36.24 46.24 9.46 2 0 1000.00 -999 ? >ALA~A 24 32.76 44.64 11.00 32.64 43.73 12.22 32.70 44.18 11.61 2 0 1000.00 -999 ? >PRO~A 25 28.86 46.29 9.96 30.61 46.90 11.21 29.74 46.60 10.58 3 0 1000.00 -999 ? >SER~A 26 30.66 47.46 15.15 30.64 45.12 15.87 30.65 46.29 15.51 2 0 1000.00 -999 ? >MET?A 27 34.48 47.68 15.15 38.10 46.40 13.20 36.29 47.04 14.18 2 0 1000.00 -999 ? >GLU~A 28 32.96 51.04 18.08 32.02 51.47 19.93 32.49 51.26 19.00 2 0 1000.00 -999 ? >SER~A 29 39.00 51.33 17.02 41.31 50.64 16.77 40.15 50.98 16.90 2 0 1000.00 -999 ? >GLU~A 30 42.08 55.60 16.92 42.74 57.31 17.99 42.41 56.46 17.46 2 0 1000.00 -999 ? >ASP~A 31 44.19 52.13 14.44 45.63 53.57 15.04 44.91 52.85 14.74 2 0 1000.00 -999 ? >PHE~A 32 42.48 48.27 12.97 45.19 47.51 13.06 43.83 47.89 13.01 3 0 1000.00 -999 ? >ALA~A 33 37.13 51.13 12.15 36.49 52.22 13.00 36.81 51.67 12.57 2 0 1000.00 -999 ? >ARG~A 34 32.68 51.53 9.49 29.99 50.98 10.88 31.33 51.25 10.18 2 0 1000.00 -999 ? >SER~A 35 38.83 49.57 7.16 39.86 48.16 8.86 39.35 48.87 8.01 2 0 1000.00 -999 ? >VAL^A 36 39.29 47.39 4.07 37.98 47.60 2.36 38.64 47.49 3.21 3 0 1000.00 -999 ? >ILE^A 37 43.13 45.32 5.90 43.88 45.64 7.13 43.50 45.48 6.52 3 0 1000.00 -999 ? >LEU^A 38 44.79 45.06 0.25 45.21 44.25 -1.72 45.00 44.65 -0.74 3 0 1000.00 -999 ? >ILE^A 39 45.87 39.81 2.67 45.56 38.70 3.50 45.71 39.25 3.08 3 0 1000.00 -999 ? >ILE^A 40 50.49 42.99 0.85 50.51 44.39 1.31 50.50 43.69 1.08 3 0 1000.00 -999 ? >GLU^A 41 53.95 38.50 4.03 54.82 37.17 2.64 54.39 37.84 3.33 2 0 1000.00 -999 ? >HIS^A 42 48.10 34.57 4.77 46.85 33.62 6.17 47.48 34.09 5.47 3 0 1000.00 -999 ? >SER~A 43 52.75 33.23 5.97 54.65 34.38 6.94 53.70 33.80 6.46 2 0 1000.00 -999 ? >GLU~A 44 55.55 29.88 8.54 55.80 29.38 6.49 55.68 29.63 7.52 2 0 1000.00 -999 ? >TYR~A 45 57.57 33.41 10.00 59.53 31.40 9.87 58.55 32.41 9.93 3 0 1000.00 -999 ? >ALA~A 46 52.58 36.69 9.98 53.39 37.94 10.34 52.99 37.31 10.16 2 0 1000.00 -999 ? >THR^A 47 49.93 38.32 7.86 47.91 37.57 7.58 48.92 37.94 7.72 2 0 1000.00 -999 ? >PHE^A 48 53.09 41.94 7.06 55.22 41.44 8.80 54.16 41.69 7.93 3 0 1000.00 -999 ? >GLY^A 49 48.06 44.11 4.96 48.55 44.60 5.44 48.30 44.35 5.20 1 0 1000.00 -999 ? >VAL^A 50 47.34 47.71 3.99 48.84 47.94 2.41 48.09 47.82 3.20 3 0 1000.00 -999 ? >ASN^A 51 43.82 50.54 5.73 41.79 51.16 5.96 42.81 50.85 5.84 2 0 1000.00 -999 ? >LEU~A 52 42.12 49.94 0.20 43.09 48.33 -0.85 42.60 49.14 -0.33 3 0 1000.00 -999 ? >ALA~A 53 39.99 53.12 2.84 38.90 52.44 3.66 39.44 52.78 3.25 2 0 1000.00 -999 ? >SER~A 54 41.95 55.97 4.45 42.79 56.84 6.56 42.37 56.40 5.50 2 0 1000.00 -999 ? >ARG^A 55 43.28 60.65 -0.85 41.33 63.00 -0.88 42.31 61.83 -0.87 2 0 1000.00 -999 ? >SER^A 56 46.09 60.90 4.26 48.39 60.90 3.51 47.24 60.90 3.89 2 0 1000.00 -999 ? >ASP^A 57 46.54 65.61 4.95 47.72 65.27 6.68 47.13 65.44 5.82 2 0 1000.00 -999 ? >VAL^A 58 50.36 63.96 2.58 52.04 63.26 3.79 51.20 63.61 3.18 3 0 1000.00 -999 ? >ALA^A 59 50.92 64.39 -1.16 50.99 65.74 -1.87 50.96 65.06 -1.51 2 0 1000.00 -999 ? >VAL~A 60 53.09 61.80 -2.90 52.73 60.02 -4.11 52.91 60.91 -3.50 3 0 1000.00 -999 ? >PHE~A 61 55.28 66.81 -5.84 57.09 68.50 -7.16 56.18 67.65 -6.50 3 0 1000.00 -999 ? >ASN~A 62 55.45 66.46 -0.06 54.47 68.18 -0.82 54.96 67.32 -0.44 2 0 1000.00 -999 ? >VAL~A 63 57.74 62.29 -0.32 56.75 60.99 1.11 57.24 61.64 0.40 3 0 1000.00 -999 ? >ILE~A 64 58.58 58.89 -3.52 58.10 58.41 -2.14 58.34 58.65 -2.83 3 0 1000.00 -999 ? >PRO~A 65 60.10 63.78 -5.73 58.24 62.56 -5.80 59.17 63.17 -5.77 3 0 1000.00 -999 ? >GLU~A 66 60.91 58.79 -7.69 61.73 59.54 -5.89 61.32 59.16 -6.79 2 0 1000.00 -999 ? >TRP~A 67 58.49 56.19 -6.56 57.97 53.25 -9.12 58.23 54.72 -7.84 3 0 1000.00 -999 ? >VAL~A 68 53.76 60.78 -9.17 53.38 62.83 -8.55 53.57 61.80 -8.86 3 0 1000.00 -999 ? >PRO~A 69 55.58 61.02 -13.16 53.76 60.14 -12.25 54.67 60.58 -12.70 3 0 1000.00 -999 ? >CYH~A 70 52.53 56.38 -12.05 54.96 55.19 -12.81 53.74 55.78 -12.43 2 0 1000.00 -999 ? >VAL~A 71 50.19 57.17 -9.15 50.71 57.68 -7.11 50.45 57.42 -8.13 3 0 1000.00 -999 ? >THR~A 72 46.42 57.10 -9.71 45.12 55.44 -10.25 45.77 56.27 -9.98 2 0 1000.00 -999 ? >LYS~A 73 44.50 60.13 -8.42 43.77 65.12 -12.30 44.13 62.63 -10.36 2 0 1000.00 -999 ? >PRO~A 74 42.09 60.89 -4.54 43.83 60.60 -5.90 42.96 60.75 -5.22 3 0 1000.00 -999 ? >GLN~A 75 48.40 61.68 -8.17 49.40 62.74 -9.72 48.90 62.21 -8.94 2 0 1000.00 -999 ? >ALA^A 76 48.28 61.25 -1.90 47.14 61.91 -1.16 47.71 61.58 -1.53 2 0 1000.00 -999 ? >LEU^A 77 50.82 58.85 1.49 52.89 59.04 0.91 51.86 58.95 1.20 3 0 1000.00 -999 ? >TYR^A 78 45.26 55.98 0.19 43.38 57.18 -1.52 44.32 56.58 -0.66 3 0 1000.00 -999 ? >ILE^A 79 46.58 55.89 6.80 46.56 56.75 7.99 46.57 56.32 7.40 3 0 1000.00 -999 ? >GLY~A 80 47.96 51.53 5.29 47.92 51.91 5.99 47.94 51.72 5.64 1 0 1000.00 -999 ? >GLY~A 81 48.07 50.84 9.01 48.52 51.54 8.88 48.30 51.19 8.95 1 0 1000.00 -999 ? >PRO~A 82 48.23 50.10 13.33 49.05 51.59 11.90 48.64 50.84 12.61 3 0 1000.00 -999 ? >LEU^A 83 52.83 48.61 12.12 52.64 47.23 13.76 52.74 47.92 12.94 3 0 1000.00 -999 ? >ASN^A 84 56.42 50.34 9.52 57.47 48.89 10.68 56.94 49.62 10.10 2 0 1000.00 -999 ? >GLN^A 85 52.27 54.94 10.82 50.60 56.18 11.22 51.44 55.56 11.02 2 0 1000.00 -999 ? >GLN^A 86 58.68 57.06 9.72 58.79 59.09 9.08 58.73 58.07 9.40 2 0 1000.00 -999 ? >SER^A 87 57.48 52.85 5.43 58.67 51.32 6.90 58.07 52.08 6.17 2 0 1000.00 -999 ? >VAL^A 88 55.76 53.22 2.07 55.46 55.19 1.21 55.61 54.20 1.64 3 0 1000.00 -999 ? >VAL^A 89 54.61 50.43 -0.21 53.72 48.50 0.24 54.17 49.46 0.02 3 0 1000.00 -999 ? >GLY^A 90 53.01 50.50 -3.64 53.09 49.76 -3.35 53.05 50.13 -3.49 1 0 1000.00 -999 ? >VAL^A 91 50.18 48.36 -4.99 48.73 47.33 -3.73 49.46 47.85 -4.36 3 0 1000.00 -999 ? >GLY^A 92 49.55 48.40 -8.71 49.28 47.70 -8.37 49.42 48.05 -8.54 1 0 1000.00 -999 ? >VAL^A 93 47.25 46.91 -11.31 45.12 47.35 -11.34 46.19 47.13 -11.33 3 0 1000.00 -999 ? >THR^A 94 49.11 45.19 -14.13 49.35 43.11 -13.65 49.23 44.15 -13.89 2 0 1000.00 -999 ? >ALA~A 95 48.57 46.49 -17.64 49.52 47.47 -18.32 49.04 46.98 -17.98 2 0 1000.00 -999 ? >GLN~A 96 45.27 45.34 -21.48 43.89 43.97 -20.61 44.58 44.65 -21.05 2 0 1000.00 -999 ? >GLY~A 97 50.15 41.87 -21.60 50.03 41.98 -20.83 50.09 41.92 -21.22 1 0 1000.00 -999 ? >VAL~A 98 51.99 41.84 -18.27 52.83 43.58 -17.25 52.41 42.71 -17.76 3 0 1000.00 -999 ? >ASP~A 99 53.09 37.44 -16.93 53.28 35.76 -15.63 53.19 36.60 -16.28 2 0 1000.00 -999 ? >ALA~A 100 54.21 39.83 -12.84 53.38 40.06 -11.57 53.80 39.94 -12.20 2 0 1000.00 -999 ? >ALA~A 101 56.11 36.54 -12.49 55.51 35.16 -12.70 55.81 35.85 -12.60 2 0 1000.00 -999 ? >ARG~A 102 58.19 35.28 -17.55 58.69 32.71 -19.15 58.44 33.99 -18.35 2 0 1000.00 -999 ? >VAL~A 103 59.09 41.06 -13.86 58.04 42.80 -14.60 58.56 41.93 -14.23 3 0 1000.00 -999 ? >ASP~A 104 62.99 41.35 -11.00 63.93 39.61 -11.75 63.46 40.48 -11.37 2 0 1000.00 -999 ? >ASN~A 105 60.63 45.91 -10.44 62.70 46.25 -10.01 61.67 46.08 -10.23 2 0 1000.00 -999 ? >LEU^A 106 55.75 43.48 -11.01 55.01 45.29 -11.96 55.38 44.39 -11.49 3 0 1000.00 -999 ? >THR^A 107 55.28 40.88 -7.16 56.30 40.44 -5.31 55.79 40.66 -6.24 2 0 1000.00 -999 ? >ARG^A 108 49.98 36.68 -10.04 48.97 34.35 -8.31 49.48 35.51 -9.17 2 0 1000.00 -999 ? >LEU^A 109 48.66 40.48 -4.51 49.64 41.90 -3.20 49.15 41.19 -3.86 3 0 1000.00 -999 ? >ALA^A 110 46.47 37.76 -7.02 45.39 37.42 -6.00 45.93 37.59 -6.51 2 0 1000.00 -999 ? >ASN~A 111 43.51 39.03 -10.03 42.18 37.44 -9.48 42.85 38.24 -9.75 2 0 1000.00 -999 ? >ARG~A 112 44.92 43.25 -15.02 44.28 41.52 -17.46 44.60 42.38 -16.24 2 0 1000.00 -999 ? >LEU^A 113 46.32 42.92 -6.94 44.44 43.93 -6.63 45.38 43.42 -6.78 3 0 1000.00 -999 ? >VAL^A 114 50.87 43.49 -7.58 51.38 43.69 -9.70 51.12 43.59 -8.64 3 0 1000.00 -999 ? >MET?A 115 53.42 44.91 -5.19 52.20 44.60 -2.17 52.81 44.75 -3.68 2 0 1000.00 -999 ? >VAL^A 116 55.67 47.50 -6.84 54.97 48.98 -8.29 55.32 48.24 -7.57 3 0 1000.00 -999 ? >ASN~A 117 60.49 46.93 -6.53 62.37 47.37 -5.62 61.43 47.15 -6.08 2 0 1000.00 -999 ? >LEU~A 118 58.96 52.21 -4.02 56.83 52.60 -3.85 57.90 52.41 -3.93 3 0 1000.00 -999 ? >GLY~A 119 63.31 51.26 -5.76 62.75 51.06 -6.39 63.03 51.16 -6.08 1 0 1000.00 -999 ? >ALA~A 120 62.70 50.53 -9.44 61.61 49.59 -9.95 62.16 50.06 -9.69 2 0 1000.00 -999 ? >ASP~A 121 63.72 52.97 -13.47 63.90 54.75 -14.60 63.81 53.86 -14.04 2 0 1000.00 -999 ? >PRO~A 122 60.12 56.26 -10.86 60.10 54.61 -12.37 60.11 55.43 -11.61 3 0 1000.00 -999 ? >GLU~A 123 61.24 56.91 -16.79 59.85 58.02 -17.94 60.54 57.46 -17.37 2 0 1000.00 -999 ? >GLU~A 124 61.16 48.71 -15.59 61.79 47.68 -13.85 61.48 48.20 -14.72 2 0 1000.00 -999 ? >ILE~A 125 57.02 50.84 -12.76 56.98 49.51 -12.22 57.00 50.18 -12.49 3 0 1000.00 -999 ? >LYS~A 126 54.88 53.15 -15.94 53.27 57.98 -16.56 54.07 55.56 -16.25 2 0 1000.00 -999 ? >PRO~A 127 56.21 50.81 -19.50 54.31 51.40 -18.48 55.26 51.11 -18.99 3 0 1000.00 -999 ? >LEU~A 128 54.63 47.19 -16.14 56.47 46.58 -17.10 55.55 46.89 -16.62 3 0 1000.00 -999 ? >VAL^A 129 50.68 49.16 -14.65 51.89 49.63 -12.90 51.29 49.40 -13.78 3 0 1000.00 -999 ? >SER^A 130 47.37 50.87 -15.44 45.61 49.25 -15.05 46.49 50.06 -15.25 2 0 1000.00 -999 ? >GLY^A 131 47.03 52.12 -11.89 47.67 51.57 -11.91 47.35 51.84 -11.90 1 0 1000.00 -999 ? >MET?A 132 48.91 52.40 -8.61 53.15 52.49 -8.46 51.03 52.44 -8.53 2 0 1000.00 -999 ? >ARG^A 133 45.16 54.35 -3.31 42.84 55.62 -4.87 44.00 54.99 -4.09 2 0 1000.00 -999 ? >LEU^A 134 52.00 55.43 -2.40 53.67 55.41 -3.78 52.83 55.42 -3.09 3 0 1000.00 -999 ? >PHE^A 135 48.70 51.57 0.58 46.60 51.23 -1.23 47.65 51.40 -0.32 3 0 1000.00 -999 ? >ALA^A 136 52.32 54.55 4.38 52.38 56.04 4.70 52.35 55.30 4.54 2 0 1000.00 -999 ? >GLY^A 137 52.22 52.12 7.31 52.05 51.90 6.52 52.14 52.01 6.91 1 0 1000.00 -999 ? >HIS^A 138 52.69 47.24 7.69 54.15 46.51 9.01 53.42 46.87 8.35 3 0 1000.00 -999 ? >ALA^A 139 48.77 46.28 9.78 47.26 46.17 9.66 48.01 46.22 9.72 2 0 1000.00 -999 ? >GLU^A 140 52.41 41.74 11.57 54.22 41.78 12.69 53.32 41.76 12.13 2 0 1000.00 -999 ? >TRP^A 141 45.12 40.03 12.61 45.09 42.69 9.70 45.11 41.36 11.15 3 0 1000.00 -999 ? >ALA~A 142 50.59 37.60 14.84 50.62 37.65 16.35 50.60 37.63 15.60 2 0 1000.00 -999 ? >PRO~A 143 52.78 33.92 14.10 50.64 34.54 14.21 51.71 34.23 14.16 3 0 1000.00 -999 ? >GLY~A 144 46.92 32.54 14.65 47.07 33.32 14.55 46.99 32.93 14.60 1 0 1000.00 -999 ? >GLN~A 145 45.77 38.44 16.41 44.68 37.99 18.19 45.22 38.21 17.30 2 0 1000.00 -999 ? >LEU~A 146 44.40 36.69 10.83 43.52 37.77 9.17 43.96 37.23 10.00 3 0 1000.00 -999 ? >ALA~A 147 41.97 33.35 12.54 42.63 31.97 12.68 42.30 32.66 12.61 2 0 1000.00 -999 ? >GLN~A 148 42.56 33.39 17.81 41.30 32.33 19.16 41.93 32.86 18.49 2 0 1000.00 -999 ? >GLU~A 149 41.15 39.47 15.69 42.56 40.91 15.09 41.85 40.19 15.39 2 0 1000.00 -999 ? >ILE~A 150 38.26 35.35 10.86 38.54 35.86 10.25 38.40 35.60 10.56 3 0 1000.00 -999 ? >GLU~A 151 37.63 31.56 14.32 38.60 30.03 15.43 38.11 30.80 14.88 2 0 1000.00 -999 ? >ASN~A 152 36.15 37.41 17.42 35.22 38.68 18.86 35.69 38.04 18.14 2 0 1000.00 -999 ? >GLY~A 153 33.24 38.22 13.82 33.97 38.50 14.03 33.60 38.36 13.92 1 0 1000.00 -999 ? >ASP~A 154 37.12 41.17 13.97 37.07 41.18 16.08 37.09 41.17 15.02 2 0 1000.00 -999 ? >TRP^A 155 39.51 40.52 11.39 40.20 44.30 10.50 39.85 42.41 10.95 3 0 1000.00 -999 ? >PHE^A 156 32.85 39.32 4.80 31.81 37.79 2.70 32.33 38.55 3.75 3 0 1000.00 -999 ? >VAL^A 157 37.17 37.97 3.91 38.82 36.56 4.29 37.99 37.26 4.10 3 0 1000.00 -999 ? >ALA^A 158 36.37 38.88 0.32 35.25 39.90 0.26 35.81 39.39 0.29 2 0 1000.00 -999 ? >PRO^A 159 36.36 38.38 -4.04 37.78 39.03 -2.45 37.07 38.70 -3.25 3 0 1000.00 -999 ? >ALA~A 160 39.66 42.60 -3.85 40.99 43.12 -3.35 40.32 42.86 -3.60 2 0 1000.00 -999 ? >LEU~A 161 37.65 44.80 -7.50 35.95 43.59 -8.02 36.80 44.19 -7.76 3 0 1000.00 -999 ? >PRO~A 162 41.71 44.95 -10.59 41.06 46.10 -8.79 41.39 45.53 -9.69 3 0 1000.00 -999 ? >SER~A 163 38.90 49.36 -8.49 36.76 48.16 -8.38 37.83 48.76 -8.43 2 0 1000.00 -999 ? >ASP~A 164 39.40 47.94 -3.82 37.63 46.81 -3.92 38.51 47.37 -3.87 2 0 1000.00 -999 ? >VAL~A 165 43.06 50.07 -5.13 44.79 48.73 -5.28 43.93 49.40 -5.20 3 0 1000.00 -999 ? >THR~A 166 42.47 52.79 -7.72 42.73 51.65 -9.54 42.60 52.22 -8.63 2 0 1000.00 -999 ? >ALA~A 167 39.26 54.15 -6.21 38.62 53.62 -4.93 38.94 53.89 -5.57 2 0 1000.00 -999 ? >PRO~A 168 37.38 57.14 -8.67 38.58 57.16 -6.79 37.97 57.15 -7.73 3 0 1000.00 -999 ? >GLY~A 169 38.70 60.24 -3.80 38.04 60.02 -4.19 38.37 60.13 -4.00 1 0 1000.00 -999 ? >SER~A 170 34.91 60.62 -3.74 34.10 60.42 -6.00 34.50 60.52 -4.87 2 0 1000.00 -999 ? >VAL~A 171 34.47 56.87 -3.27 34.73 55.24 -4.71 34.60 56.05 -3.99 3 0 1000.00 -999 ? >ASP~A 172 32.16 55.53 0.73 31.90 54.42 2.52 32.03 54.98 1.63 2 0 1000.00 -999 ? >VAL~A 173 35.72 52.25 -0.08 37.85 51.94 -0.45 36.78 52.10 -0.26 3 0 1000.00 -999 ? >TRP~A 174 34.60 48.77 5.96 30.82 49.23 6.97 32.71 49.00 6.46 3 0 1000.00 -999 ? >GLY~A 175 30.83 51.33 1.95 31.41 50.96 1.50 31.12 51.15 1.72 1 0 1000.00 -999 ? >ASP~A 176 31.87 50.90 -2.78 30.79 52.63 -3.40 31.33 51.76 -3.09 2 0 1000.00 -999 ? >VAL~A 177 33.02 46.92 -0.82 35.05 46.27 -0.32 34.03 46.60 -0.57 3 0 1000.00 -999 ? >MET?A 178 30.15 46.07 1.55 30.55 45.26 5.08 30.35 45.66 3.32 2 0 1000.00 -999 ? >ARG~A 179 26.68 50.61 -1.46 27.68 52.89 0.34 27.18 51.75 -0.56 2 0 1000.00 -999 ? >ARG~A 180 32.68 44.17 -4.83 35.42 45.13 -3.82 34.05 44.65 -4.32 2 0 1000.00 -999 ? >GLN~A 181 30.84 42.11 0.50 32.22 41.23 -0.86 31.53 41.67 -0.18 2 0 1000.00 -999 ? >PRO~A 182 27.48 37.33 -0.91 26.57 39.33 -0.54 27.02 38.33 -0.73 3 0 1000.00 -999 ? >MET?A 183 22.88 40.16 1.53 20.84 42.79 0.75 21.86 41.48 1.14 2 0 1000.00 -999 ? >PRO~A 184 22.43 40.27 6.24 22.71 40.69 4.09 22.57 40.48 5.16 3 0 1000.00 -999 ? >LEU~A 185 27.21 42.57 3.69 28.43 41.20 4.86 27.82 41.88 4.28 3 0 1000.00 -999 ? >PRO~A 186 24.82 44.35 0.18 24.89 45.26 2.21 24.85 44.81 1.20 3 0 1000.00 -999 ? >LEU~A 187 21.13 45.93 5.20 19.28 45.42 4.24 20.21 45.67 4.72 3 0 1000.00 -999 ? >TYR~A 188 24.81 45.96 8.44 22.96 44.47 9.95 23.89 45.21 9.20 3 0 1000.00 -999 ? >SER~A 189 26.86 50.12 4.36 25.62 49.98 2.27 26.24 50.05 3.31 2 0 1000.00 -999 ? >THR~A 190 26.20 53.86 4.77 26.87 54.99 6.49 26.53 54.42 5.63 2 0 1000.00 -999 ? >PHE~A 191 25.85 56.07 0.67 24.24 54.57 -1.07 25.05 55.32 -0.20 3 0 1000.00 -999 ?