REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-MAY-05 2CU5 COMPND CONSERVED HYPOTHETICAL PROTEIN TT1486; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 300852; SOURCE 4 STRAIN: HB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR S.SATOH,N.NAKAGAWA,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) >MET.A 1 7.76 54.44 36.28 5.80 52.47 33.16 6.78 53.46 34.72 2 0 1000.00 -999 ? >GLU.A 2 8.41 52.25 42.07 7.70 52.86 43.98 8.06 52.55 43.03 2 0 1000.00 -999 ? >GLY.A 3 9.98 49.30 39.37 9.86 49.76 38.73 9.92 49.53 39.05 1 0 1000.00 -999 ? >VAL.A 4 9.56 49.27 35.60 7.59 48.78 34.83 8.58 49.03 35.22 3 0 1000.00 -999 ? >VAL^A 5 12.24 50.19 33.09 14.35 49.66 33.07 13.30 49.92 33.08 3 0 1000.00 -999 ? >ARG^A 6 8.59 54.47 28.80 6.76 55.90 30.80 7.67 55.19 29.80 2 0 1000.00 -999 ? >LEU^A 7 13.68 49.74 26.45 15.05 48.45 27.53 14.36 49.09 26.99 3 0 1000.00 -999 ? >GLU^A 8 12.51 55.19 25.29 11.96 57.23 25.47 12.23 56.21 25.38 2 0 1000.00 -999 ? >VAL^A 9 13.49 51.37 20.48 13.66 49.20 20.68 13.57 50.29 20.58 3 0 1000.00 -999 ? >PRO^A 10 15.78 54.00 17.92 14.01 52.66 17.68 14.89 53.33 17.80 3 0 1000.00 -999 ? >THR^A 11 12.10 50.83 14.36 10.28 50.48 15.47 11.19 50.66 14.91 2 0 1000.00 -999 ? >PRO.A 12 12.57 48.47 10.70 12.09 50.57 11.24 12.33 49.52 10.97 3 0 1000.00 -999 ? >GLU.A 13 7.34 51.15 6.41 7.19 51.22 4.31 7.26 51.18 5.36 2 0 1000.00 -999 ? >GLU.A 14 8.18 45.75 6.97 6.74 44.48 6.06 7.46 45.11 6.52 2 0 1000.00 -999 ? >GLY^A 15 10.97 44.48 10.50 10.47 44.69 11.11 10.72 44.58 10.80 1 0 1000.00 -999 ? >PHE^A 16 11.18 40.22 13.05 8.81 38.82 12.51 10.00 39.52 12.78 3 0 1000.00 -999 ? >VAL^A 17 14.45 44.58 15.71 14.35 46.75 15.93 14.40 45.67 15.82 3 0 1000.00 -999 ? >ASN^A 18 18.09 41.93 17.44 18.85 40.38 18.69 18.47 41.16 18.06 2 0 1000.00 -999 ? >ILE~A 19 15.01 44.52 21.85 13.59 44.63 21.73 14.30 44.58 21.79 3 0 1000.00 -999 ? >THR~A 20 18.00 41.08 23.32 18.45 39.04 22.71 18.22 40.06 23.01 2 0 1000.00 -999 ? >ARG~A 21 23.73 43.46 25.55 25.62 41.42 24.25 24.67 42.44 24.90 2 0 1000.00 -999 ? >LYS~A 22 19.04 46.24 25.24 18.69 50.60 20.62 18.86 48.42 22.93 2 0 1000.00 -999 ? >VAL~A 23 16.72 44.21 27.48 15.00 42.86 27.29 15.86 43.54 27.39 3 0 1000.00 -999 ? >GLU~A 24 20.18 40.40 27.89 21.61 39.19 26.90 20.90 39.80 27.39 2 0 1000.00 -999 ? >ALA~A 25 21.28 45.96 29.77 21.62 46.99 28.70 21.45 46.48 29.24 2 0 1000.00 -999 ? >ALA~A 26 18.17 46.88 31.77 16.83 47.16 31.11 17.50 47.02 31.44 2 0 1000.00 -999 ? >LEU.A 27 18.67 42.39 33.46 17.18 41.35 32.30 17.92 41.87 32.88 3 0 1000.00 -999 ? >SER.A 28 21.27 45.02 36.23 20.37 47.24 36.69 20.82 46.13 36.46 2 0 1000.00 -999 ? >GLY.A 29 22.53 41.46 36.69 21.78 41.68 36.76 22.16 41.57 36.72 1 0 1000.00 -999 ? >HIS.A 30 16.56 40.03 37.76 14.91 39.00 38.56 15.73 39.51 38.16 3 0 1000.00 -999 ? >THR.A 31 18.47 36.46 38.14 19.87 34.96 38.83 19.17 35.71 38.49 2 0 1000.00 -999 ? >GLY^A 32 14.88 35.31 37.69 15.19 35.64 36.96 15.04 35.47 37.32 1 0 1000.00 -999 ? >LEU^A 33 10.52 35.35 35.58 9.82 33.37 35.08 10.17 34.36 35.33 3 0 1000.00 -999 ? >VAL^A 34 11.74 39.02 33.24 13.56 39.94 32.47 12.65 39.48 32.86 3 0 1000.00 -999 ? >TYR^A 35 6.13 41.49 32.30 3.80 42.48 31.09 4.96 41.99 31.69 3 0 1000.00 -999 ? >LEU^A 36 9.31 41.94 27.54 11.46 41.91 27.54 10.39 41.92 27.54 3 0 1000.00 -999 ? >PHE^A 37 3.21 45.30 28.04 0.61 46.13 27.40 1.91 45.72 27.72 3 0 1000.00 -999 ? >VAL.A 38 4.90 46.87 24.34 5.47 45.80 22.50 5.19 46.33 23.42 3 0 1000.00 -999 ? >PRO.A 39 3.86 50.92 25.64 2.79 49.07 25.03 3.32 50.00 25.34 3 0 1000.00 -999 ? >HIS.A 40 3.56 50.57 21.14 4.85 52.02 21.92 4.21 51.29 21.53 3 0 1000.00 -999 ? >THR.A 41 -1.28 47.96 19.07 -2.93 49.31 19.41 -2.11 48.63 19.24 2 0 1000.00 -999 ? >THR.A 42 0.63 47.93 15.77 0.03 49.90 15.10 0.33 48.92 15.44 2 0 1000.00 -999 ? >CYH^A 43 3.84 46.10 16.73 4.93 47.69 18.82 4.38 46.90 17.78 2 0 1000.00 -999 ? >GLY^A 44 4.62 42.98 18.74 5.33 43.31 18.53 4.98 43.15 18.64 1 0 1000.00 -999 ? >LEU^A 45 7.19 41.20 22.24 7.99 42.89 23.29 7.59 42.04 22.76 3 0 1000.00 -999 ? >THR^A 46 8.42 37.55 19.73 8.54 36.88 17.65 8.48 37.22 18.69 2 0 1000.00 -999 ? >VAL^A 47 11.26 35.13 20.32 11.89 34.27 22.21 11.58 34.70 21.26 3 0 1000.00 -999 ? >GLN^A 48 10.59 33.71 15.59 10.93 31.67 15.06 10.76 32.69 15.32 2 0 1000.00 -999 ? >GLU.A 49 17.43 31.49 13.93 17.69 30.06 12.42 17.56 30.77 13.17 2 0 1000.00 -999 ? >GLY.A 50 18.19 35.89 14.02 18.51 35.13 13.98 18.35 35.51 14.00 1 0 1000.00 -999 ? >ALA.A 51 21.28 33.87 13.07 21.61 32.48 13.57 21.44 33.18 13.32 2 0 1000.00 -999 ? >ASP~A 52 19.33 32.04 9.08 19.11 31.97 6.99 19.22 32.01 8.04 2 0 1000.00 -999 ? >PRO~A 53 20.86 37.21 7.90 18.97 36.14 8.38 19.91 36.67 8.14 3 0 1000.00 -999 ? >THR~A 54 16.19 34.89 5.84 17.37 33.47 4.72 16.78 34.18 5.28 2 0 1000.00 -999 ? >VAL~A 55 14.09 33.57 8.73 14.32 32.27 10.49 14.20 32.92 9.61 3 0 1000.00 -999 ? >ALA~A 56 12.94 37.11 9.55 13.83 38.23 10.12 13.39 37.67 9.84 2 0 1000.00 -999 ? >GLN~A 57 14.78 38.63 4.87 16.49 38.09 3.71 15.63 38.36 4.29 2 0 1000.00 -999 ? >ASP~A 58 10.61 33.40 5.32 11.89 32.87 3.70 11.25 33.13 4.51 2 0 1000.00 -999 ? >LEU~A 59 8.82 35.84 9.89 9.07 34.32 11.41 8.95 35.08 10.65 3 0 1000.00 -999 ? >LEU~A 60 8.51 40.32 7.21 9.13 41.66 8.78 8.82 40.99 8.00 3 0 1000.00 -999 ? >GLY~A 61 6.75 38.05 3.81 6.42 37.77 4.53 6.58 37.91 4.17 1 0 1000.00 -999 ? >ARG~A 62 6.08 31.97 5.62 5.83 29.20 4.32 5.96 30.59 4.97 2 0 1000.00 -999 ? >LEU~A 63 3.40 38.42 8.71 3.58 37.74 10.75 3.49 38.08 9.73 3 0 1000.00 -999 ? >ALA~A 64 2.00 40.16 4.77 3.05 40.79 3.85 2.53 40.47 4.31 2 0 1000.00 -999 ? >GLU~A 65 2.06 36.41 1.50 2.92 34.66 0.66 2.49 35.53 1.08 2 0 1000.00 -999 ? >LEU~A 66 -1.32 35.93 7.24 -0.94 33.81 7.39 -1.13 34.87 7.32 3 0 1000.00 -999 ? >ALA~A 67 -2.46 40.28 6.76 -2.01 40.68 8.17 -2.24 40.48 7.46 2 0 1000.00 -999 ? >PRO.A 68 -4.27 41.15 2.89 -2.49 41.82 4.05 -3.38 41.49 3.47 3 0 1000.00 -999 ? >ARG.A 69 1.40 47.35 3.21 3.45 47.94 5.41 2.43 47.64 4.31 2 0 1000.00 -999 ? >HIS.A 70 -5.43 46.60 -1.42 -7.00 47.07 -2.73 -6.21 46.83 -2.08 3 0 1000.00 -999 ? >ARG.A 71 -9.11 42.78 5.00 -11.92 42.45 6.19 -10.52 42.62 5.59 2 0 1000.00 -999 ? >PRO.A 72 -11.34 45.15 -0.86 -10.67 46.56 0.72 -11.01 45.85 -0.07 3 0 1000.00 -999 ? >GLN.A 73 -14.28 43.28 2.25 -14.63 41.20 2.57 -14.45 42.24 2.41 2 0 1000.00 -999 ? >ASP.A 74 -10.03 47.65 5.96 -8.62 46.17 6.53 -9.32 46.91 6.25 2 0 1000.00 -999 ? >ARG.A 75 -16.65 48.91 7.55 -19.53 48.55 6.57 -18.09 48.73 7.06 2 0 1000.00 -999 ? >HIS.A 76 -8.61 51.19 11.40 -7.47 52.39 12.69 -8.04 51.79 12.05 3 0 1000.00 -999 ? >LEU.A 77 -10.67 55.49 7.60 -12.74 55.75 7.06 -11.71 55.62 7.33 3 0 1000.00 -999 ? >GLU.A 78 -6.83 55.81 11.18 -8.93 55.47 11.28 -7.88 55.64 11.23 2 0 1000.00 -999 ? >GLY.A 79 -5.34 51.82 6.84 -5.18 51.85 7.57 -5.26 51.84 7.21 1 0 1000.00 -999 ? >ASN~A 80 -2.48 50.83 10.52 -3.69 51.95 11.86 -3.09 51.39 11.19 2 0 1000.00 -999 ? >SER~A 81 -5.65 47.18 10.31 -8.00 47.79 10.18 -6.83 47.48 10.24 2 0 1000.00 -999 ? >HIS~A 82 -1.34 46.14 7.50 -0.09 47.83 7.63 -0.71 46.99 7.56 3 0 1000.00 -999 ? >ALA~A 83 -0.63 45.89 11.50 0.01 47.27 11.58 -0.31 46.58 11.54 2 0 1000.00 -999 ? >HIS~A 84 -4.64 47.63 14.65 -4.61 49.58 15.42 -4.62 48.61 15.03 3 0 1000.00 -999 ? >LEU~A 85 -4.36 41.51 11.77 -5.24 39.54 11.51 -4.80 40.52 11.64 3 0 1000.00 -999 ? >LYS~A 86 -0.08 41.13 12.92 2.38 43.12 7.50 1.15 42.13 10.21 2 0 1000.00 -999 ? >SER~A 87 0.24 42.51 16.45 -0.03 44.13 18.26 0.10 43.32 17.35 2 0 1000.00 -999 ? >LEU~A 88 -4.10 40.47 17.21 -5.81 39.14 17.33 -4.95 39.80 17.27 3 0 1000.00 -999 ? >LEU~A 89 -1.02 37.13 14.56 -2.57 36.47 13.21 -1.79 36.80 13.89 3 0 1000.00 -999 ? >THR~A 90 2.34 37.91 17.38 4.00 38.92 16.43 3.17 38.42 16.90 2 0 1000.00 -999 ? >GLY~A 91 1.46 39.03 20.89 1.89 39.58 20.38 1.67 39.31 20.63 1 0 1000.00 -999 ? >VAL.A 92 2.52 42.08 22.91 0.67 43.22 22.84 1.59 42.65 22.88 3 0 1000.00 -999 ? >HIS^A 93 2.73 39.24 27.52 1.78 37.42 27.92 2.26 38.33 27.72 3 0 1000.00 -999 ? >LEU^A 94 8.20 38.20 26.00 8.51 37.68 23.94 8.36 37.94 24.97 3 0 1000.00 -999 ? >LEU^A 95 6.99 35.60 30.77 6.85 35.63 32.92 6.92 35.61 31.84 3 0 1000.00 -999 ? >LEU^A 96 12.51 35.80 28.87 12.12 35.96 26.75 12.31 35.88 27.81 3 0 1000.00 -999 ? >LEU^A 97 14.64 32.12 32.30 13.54 30.47 33.11 14.09 31.30 32.71 3 0 1000.00 -999 ? >ALA^A 98 17.44 35.59 33.13 17.20 37.09 33.33 17.32 36.34 33.23 2 0 1000.00 -999 ? >GLU^A 99 22.18 32.66 35.53 22.79 30.70 35.06 22.49 31.68 35.30 2 0 1000.00 -999 ? >LYS.A 100 22.93 37.25 36.29 26.63 32.90 39.07 24.78 35.07 37.68 2 0 1000.00 -999 ? >GLY.A 101 21.76 39.85 33.79 21.76 39.10 33.59 21.76 39.47 33.69 1 0 1000.00 -999 ? >ARG^A 102 25.42 36.93 29.98 27.37 38.84 31.40 26.39 37.88 30.69 2 0 1000.00 -999 ? >LEU^A 103 17.81 36.72 28.00 16.40 38.34 28.12 17.11 37.53 28.06 3 0 1000.00 -999 ? >ARG.A 104 20.27 31.63 31.50 20.88 29.20 29.70 20.57 30.42 30.60 2 0 1000.00 -999 ? >LEU.A 105 17.60 32.54 24.60 16.54 34.40 24.85 17.07 33.47 24.73 3 0 1000.00 -999 ? >GLY.A 106 17.88 28.48 23.08 18.21 29.28 23.03 18.04 28.88 23.06 1 0 1000.00 -999 ? >ARG.A 107 23.25 25.92 18.81 24.76 23.30 19.30 24.01 24.61 19.05 2 0 1000.00 -999 ? >TRP.A 108 19.47 26.69 16.83 22.47 27.90 14.58 20.97 27.29 15.71 3 0 1000.00 -999 ? >GLN.A 109 15.05 30.66 20.78 13.95 30.10 22.53 14.50 30.38 21.66 2 0 1000.00 -999 ? >GLN^A 110 18.91 36.38 18.65 20.24 37.11 20.15 19.57 36.74 19.40 2 0 1000.00 -999 ? >VAL^A 111 14.20 38.64 21.43 13.70 39.03 23.51 13.95 38.83 22.47 3 0 1000.00 -999 ? >PHE^A 112 13.59 39.49 16.78 15.86 38.31 15.64 14.72 38.90 16.21 3 0 1000.00 -999 ? >LEU^A 113 10.85 45.27 18.98 9.54 46.99 18.88 10.19 46.13 18.93 3 0 1000.00 -999 ? >ALA^A 114 8.25 43.06 15.61 7.36 41.82 15.53 7.80 42.44 15.57 2 0 1000.00 -999 ? >GLU^A 115 7.87 48.77 13.15 6.51 49.62 14.52 7.19 49.19 13.83 2 0 1000.00 -999 ? >PHE.A 116 3.76 44.09 12.41 4.48 41.64 13.57 4.12 42.86 12.99 3 0 1000.00 -999 ? >ASP.A 117 2.36 50.29 11.71 1.49 52.04 10.91 1.92 51.17 11.31 2 0 1000.00 -999 ? >GLY.A 118 6.91 52.17 11.49 6.55 52.11 10.74 6.73 52.14 11.11 1 0 1000.00 -999 ? >PRO.A 119 9.83 55.49 9.78 8.77 53.82 10.81 9.30 54.66 10.30 3 0 1000.00 -999 ? >ARG^A 120 5.03 54.01 15.38 2.00 54.23 15.19 3.52 54.12 15.29 2 0 1000.00 -999 ? >VAL^A 121 10.42 54.93 18.36 11.87 56.40 19.05 11.14 55.66 18.71 3 0 1000.00 -999 ? >ARG^A 122 6.37 51.28 18.34 3.74 51.01 16.81 5.06 51.14 17.58 2 0 1000.00 -999 ? >GLU^A 123 7.71 53.92 25.14 6.38 54.78 26.55 7.05 54.35 25.85 2 0 1000.00 -999 ? >VAL^A 124 9.24 48.36 25.65 10.29 46.80 24.55 9.76 47.58 25.10 3 0 1000.00 -999 ? >TRP^A 125 7.13 50.52 29.00 3.28 50.68 29.78 5.20 50.60 29.39 3 0 1000.00 -999 ? >VAL^A 126 10.83 45.68 31.43 12.82 45.26 30.67 11.83 45.47 31.05 3 0 1000.00 -999 ? >ARG^A 127 8.21 44.61 37.49 6.77 43.05 39.70 7.49 43.83 38.60 2 0 1000.00 -999 ? >LEU^A 128 13.24 42.36 37.57 14.96 43.18 36.54 14.10 42.77 37.06 3 0 1000.00 -999 ? >LEU.A 129 9.23 38.17 38.31 7.90 38.18 36.61 8.56 38.18 37.46 3 0 1000.00 -999 ? >GLY.B 3 16.40 27.11 39.00 16.46 26.64 38.32 16.43 26.87 38.66 1 0 1000.00 -999 ? >VAL.B 4 14.40 25.35 36.29 15.06 26.53 34.58 14.73 25.94 35.43 3 0 1000.00 -999 ? >VAL^B 5 13.32 21.77 35.63 12.19 20.43 36.94 12.75 21.10 36.29 3 0 1000.00 -999 ? >ARG^B 6 17.25 21.91 31.30 19.48 21.07 29.39 18.37 21.49 30.34 2 0 1000.00 -999 ? >LEU^B 7 9.91 18.32 30.34 8.55 18.52 32.00 9.23 18.42 31.17 3 0 1000.00 -999 ? >GLU^B 8 14.84 15.35 28.36 15.79 17.10 27.67 15.31 16.23 28.01 2 0 1000.00 -999 ? >VAL^B 9 9.57 15.77 25.05 7.78 16.96 25.44 8.68 16.36 25.24 3 0 1000.00 -999 ? >PRO^B 10 8.43 11.86 23.48 9.48 13.67 22.72 8.95 12.77 23.10 3 0 1000.00 -999 ? >THR.B 11 7.71 14.67 18.99 8.57 16.65 19.00 8.14 15.66 19.00 2 0 1000.00 -999 ? >PRO.B 12 4.37 14.24 16.24 6.54 13.78 16.22 5.46 14.01 16.23 3 0 1000.00 -999 ? >GLU.B 13 7.50 13.61 10.41 7.26 13.17 8.36 7.38 13.39 9.39 2 0 1000.00 -999 ? >GLU.B 14 2.83 17.72 11.20 1.73 19.07 9.98 2.28 18.39 10.59 2 0 1000.00 -999 ? >GLY^B 15 1.58 17.43 16.03 2.12 17.97 16.31 1.85 17.70 16.17 1 0 1000.00 -999 ? >PHE^B 16 -1.52 20.30 18.74 -1.96 22.62 17.23 -1.74 21.46 17.98 3 0 1000.00 -999 ? >VAL^B 17 2.07 16.65 22.06 4.07 15.84 21.88 3.07 16.24 21.97 3 0 1000.00 -999 ? >ASN^B 18 -1.01 15.64 25.62 -2.19 16.20 27.29 -1.60 15.92 26.46 2 0 1000.00 -999 ? >ILE~B 19 3.79 18.46 27.84 4.40 19.54 27.07 4.10 19.00 27.45 3 0 1000.00 -999 ? >THR~B 20 0.03 18.08 30.86 -2.09 18.55 30.74 -1.03 18.32 30.80 2 0 1000.00 -999 ? >ARG~B 21 -1.15 11.73 32.69 -1.17 9.25 30.87 -1.16 10.49 31.78 2 0 1000.00 -999 ? >LYS~B 22 4.72 15.45 32.32 5.37 12.51 27.72 5.05 13.98 30.02 2 0 1000.00 -999 ? >VAL~B 23 4.50 19.00 33.69 3.98 20.95 32.87 4.24 19.97 33.28 3 0 1000.00 -999 ? >GLU~B 24 0.02 18.38 35.94 -1.98 17.71 35.86 -0.98 18.05 35.90 2 0 1000.00 -999 ? >ALA~B 25 4.80 15.13 37.61 5.30 14.03 36.67 5.05 14.58 37.14 2 0 1000.00 -999 ? >ALA~B 26 7.58 17.71 37.80 8.16 18.42 36.58 7.87 18.07 37.19 2 0 1000.00 -999 ? >LEU~B 27 4.00 20.34 39.74 3.50 21.93 38.38 3.75 21.14 39.06 3 0 1000.00 -999 ? >SER~B 28 5.39 17.34 42.88 7.63 16.45 42.57 6.51 16.89 42.72 2 0 1000.00 -999 ? >GLY.B 29 2.31 18.90 44.48 2.79 19.36 44.10 2.55 19.13 44.29 1 0 1000.00 -999 ? >HIS.B 30 4.60 24.51 43.08 5.16 26.49 43.48 4.88 25.50 43.28 3 0 1000.00 -999 ? >THR.B 31 0.66 25.33 44.36 -0.97 25.46 45.79 -0.15 25.39 45.07 2 0 1000.00 -999 ? >GLY^B 32 1.17 28.63 42.54 1.00 28.01 42.00 1.09 28.32 42.27 1 0 1000.00 -999 ? >LEU^B 33 2.12 31.44 38.71 0.47 32.73 38.17 1.29 32.09 38.44 3 0 1000.00 -999 ? >VAL^B 34 4.11 27.81 36.76 4.00 25.64 36.96 4.06 26.72 36.86 3 0 1000.00 -999 ? >TYR^B 35 8.09 30.58 32.85 9.53 31.50 30.63 8.81 31.04 31.74 3 0 1000.00 -999 ? >LEU^B 36 5.62 26.06 30.30 4.77 24.47 31.50 5.19 25.27 30.90 3 0 1000.00 -999 ? >PHE^B 37 11.02 29.46 27.38 12.62 30.80 25.51 11.82 30.13 26.44 3 0 1000.00 -999 ? >VAL.B 38 10.47 26.00 24.74 8.71 25.46 23.56 9.59 25.73 24.15 3 0 1000.00 -999 ? >PRO.B 39 14.74 25.13 24.90 13.43 26.72 24.06 14.09 25.92 24.48 3 0 1000.00 -999 ? >HIS.B 40 13.12 23.99 20.87 14.08 22.54 22.04 13.60 23.26 21.46 3 0 1000.00 -999 ? >THR.B 41 12.07 28.43 17.13 13.96 29.25 16.46 13.01 28.84 16.80 2 0 1000.00 -999 ? >THR.B 42 10.18 25.79 15.12 11.84 24.97 13.98 11.01 25.38 14.55 2 0 1000.00 -999 ? >CYH^B 43 7.77 24.47 17.75 9.39 23.52 19.90 8.58 24.00 18.82 2 0 1000.00 -999 ? >GLY^B 44 5.51 26.15 20.28 5.44 25.36 20.41 5.48 25.76 20.34 1 0 1000.00 -999 ? >LEU^B 45 4.16 26.39 24.74 5.53 25.19 25.92 4.85 25.79 25.33 3 0 1000.00 -999 ? >THR^B 46 -0.34 26.25 23.64 -1.59 25.80 21.94 -0.97 26.03 22.79 2 0 1000.00 -999 ? >VAL^B 47 -3.40 25.28 25.67 -3.74 25.85 27.76 -3.57 25.56 26.71 3 0 1000.00 -999 ? >GLN^B 48 -6.03 24.77 21.42 -8.10 25.27 21.33 -7.07 25.02 21.38 2 0 1000.00 -999 ? >GLU.B 49 -11.07 19.80 23.55 -12.94 19.84 22.60 -12.01 19.82 23.07 2 0 1000.00 -999 ? >GLY.B 50 -7.09 17.39 23.94 -7.82 17.32 23.99 -7.46 17.36 23.96 1 0 1000.00 -999 ? >ALA.B 51 -9.49 14.47 24.51 -10.63 14.47 25.51 -10.06 14.47 25.01 2 0 1000.00 -999 ? >ASP~B 52 -11.95 15.92 20.67 -12.85 15.65 18.78 -12.40 15.78 19.72 2 0 1000.00 -999 ? >PRO~B 53 -9.45 11.96 18.13 -8.73 13.94 18.87 -9.09 12.95 18.50 3 0 1000.00 -999 ? >THR~B 54 -10.00 15.83 15.60 -12.06 15.19 15.57 -11.03 15.51 15.58 2 0 1000.00 -999 ? >VAL~B 55 -9.40 19.25 17.17 -10.11 20.30 18.95 -9.75 19.77 18.06 3 0 1000.00 -999 ? >ALA~B 56 -5.61 18.92 16.90 -4.76 17.94 17.70 -5.19 18.43 17.30 2 0 1000.00 -999 ? >GLN~B 57 -6.55 15.01 13.82 -7.74 13.32 13.32 -7.14 14.17 13.57 2 0 1000.00 -999 ? >ASP~B 58 -9.42 20.80 12.57 -10.82 19.45 11.74 -10.12 20.13 12.16 2 0 1000.00 -999 ? >LEU~B 59 -5.20 22.82 15.44 -6.24 23.86 17.03 -5.72 23.34 16.23 3 0 1000.00 -999 ? >LEU~B 60 -2.04 19.94 12.41 -0.57 19.28 13.83 -1.31 19.61 13.12 3 0 1000.00 -999 ? >GLY~B 61 -4.48 21.16 8.90 -4.36 21.82 9.38 -4.42 21.49 9.14 1 0 1000.00 -999 ? >ARG~B 62 -8.96 25.19 10.74 -11.69 26.20 9.77 -10.32 25.69 10.26 2 0 1000.00 -999 ? >LEU~B 63 -1.39 25.57 11.43 -1.46 26.64 13.31 -1.43 26.11 12.37 3 0 1000.00 -999 ? >ALA~B 64 -0.53 24.17 7.20 -0.63 22.67 6.90 -0.58 23.42 7.05 2 0 1000.00 -999 ? >GLU~B 65 -4.90 24.58 4.40 -6.97 24.29 4.58 -5.93 24.43 4.49 2 0 1000.00 -999 ? >LEU~B 66 -2.37 29.78 7.97 -4.27 30.63 8.53 -3.32 30.21 8.25 3 0 1000.00 -999 ? >ALA~B 67 1.71 28.47 6.53 2.36 28.48 7.93 2.03 28.47 7.23 2 0 1000.00 -999 ? >PRO.B 68 0.93 27.66 2.41 2.24 26.76 3.95 1.58 27.21 3.18 3 0 1000.00 -999 ? >ARG.B 69 5.22 20.54 4.88 6.28 19.56 7.57 5.75 20.05 6.23 2 0 1000.00 -999 ? >HIS.B 70 6.89 22.43 -0.44 7.69 20.70 0.43 7.29 21.56 0.00 3 0 1000.00 -999 ? >ARG.B 71 5.68 31.85 1.38 7.05 34.60 1.25 6.36 33.22 1.31 2 0 1000.00 -999 ? >PRO.B 72 6.39 29.16 -5.04 7.80 29.58 -3.37 7.09 29.37 -4.21 3 0 1000.00 -999 ? >GLN.B 73 7.21 34.60 -3.29 5.33 33.62 -3.23 6.27 34.11 -3.26 2 0 1000.00 -999 ? >ASP.B 74 10.57 30.31 1.32 9.16 30.30 2.89 9.86 30.31 2.10 2 0 1000.00 -999 ? >ARG.B 75 14.06 36.56 0.82 15.49 39.23 0.38 14.77 37.90 0.60 2 0 1000.00 -999 ? >HIS.B 76 14.95 29.60 6.41 15.92 28.64 8.01 15.44 29.12 7.21 3 0 1000.00 -999 ? >LEU.B 77 18.05 27.58 1.36 18.44 29.01 -0.22 18.24 28.30 0.57 3 0 1000.00 -999 ? >GLU.B 78 18.26 25.93 6.64 18.87 27.55 5.40 18.56 26.74 6.02 2 0 1000.00 -999 ? >GLY.B 79 12.84 25.05 4.12 13.04 25.19 4.82 12.94 25.12 4.47 1 0 1000.00 -999 ? >ASN~B 80 11.97 24.57 8.77 13.64 25.58 9.61 12.80 25.08 9.19 2 0 1000.00 -999 ? >SER~B 81 10.08 28.88 7.49 11.49 30.35 6.21 10.79 29.61 6.85 2 0 1000.00 -999 ? >HIS~B 82 6.50 24.92 7.36 7.37 23.08 7.89 6.93 24.00 7.62 3 0 1000.00 -999 ? >ALA~B 83 7.53 26.05 11.11 8.57 24.94 11.33 8.05 25.50 11.22 2 0 1000.00 -999 ? >HIS~B 84 11.56 29.57 11.67 13.48 28.88 12.14 12.52 29.22 11.91 3 0 1000.00 -999 ? >LEU~B 85 5.19 31.19 9.95 3.66 32.67 9.47 4.42 31.93 9.71 3 0 1000.00 -999 ? >LYS~B 86 3.65 28.54 13.14 2.86 23.68 9.23 3.26 26.11 11.18 2 0 1000.00 -999 ? >SER~B 87 5.93 28.93 16.17 7.98 28.97 17.48 6.95 28.95 16.82 2 0 1000.00 -999 ? >LEU~B 88 6.03 33.67 15.00 5.51 35.73 14.51 5.77 34.70 14.75 3 0 1000.00 -999 ? >LEU~B 89 1.08 31.85 14.56 0.71 32.83 12.67 0.89 32.34 13.62 3 0 1000.00 -999 ? >THR~B 90 1.46 29.99 18.65 1.36 27.81 18.56 1.41 28.90 18.60 2 0 1000.00 -999 ? >GLY~B 91 4.03 31.43 21.04 4.15 30.62 20.75 4.09 31.03 20.90 1 0 1000.00 -999 ? >VAL.B 92 6.88 29.81 22.97 8.57 30.69 21.90 7.72 30.25 22.43 3 0 1000.00 -999 ? >HIS^B 93 5.80 32.69 27.42 4.58 34.40 27.49 5.19 33.54 27.46 3 0 1000.00 -999 ? >LEU^B 94 2.33 28.39 28.86 1.03 27.69 27.27 1.68 28.04 28.06 3 0 1000.00 -999 ? >LEU^B 95 2.12 32.41 32.74 2.87 33.20 34.62 2.50 32.80 33.68 3 0 1000.00 -999 ? >LEU^B 96 -0.41 27.20 33.63 -0.89 26.71 31.59 -0.65 26.95 32.61 3 0 1000.00 -999 ? >LEU^B 97 -3.16 28.88 38.13 -3.62 29.46 40.17 -3.39 29.17 39.15 3 0 1000.00 -999 ? >ALA^B 98 -1.20 25.01 39.63 0.23 24.50 39.64 -0.48 24.75 39.64 2 0 1000.00 -999 ? >GLU^B 99 -5.18 24.03 44.07 -7.26 23.73 44.08 -6.22 23.88 44.07 2 0 1000.00 -999 ? >LYS.B 100 -1.58 21.07 44.86 -5.48 22.88 48.09 -3.53 21.97 46.47 2 0 1000.00 -999 ? >GLY.B 101 0.42 19.77 41.91 -0.27 20.07 41.77 0.08 19.92 41.84 1 0 1000.00 -999 ? >ARG^B 102 -2.61 17.27 40.73 -1.41 14.82 42.13 -2.01 16.04 41.43 2 0 1000.00 -999 ? >LEU^B 103 -2.07 22.25 35.12 -0.04 22.47 34.43 -1.05 22.36 34.78 3 0 1000.00 -999 ? >ARG.B 104 -7.31 24.73 39.49 -10.33 24.91 38.93 -8.82 24.82 39.21 2 0 1000.00 -999 ? >LEU.B 105 -6.66 23.28 32.60 -4.62 23.26 31.88 -5.64 23.27 32.24 3 0 1000.00 -999 ? >GLY.B 106 -10.85 24.24 31.94 -10.21 23.60 32.00 -10.53 23.92 31.97 1 0 1000.00 -999 ? >ARG.B 107 -15.40 19.78 34.03 -16.12 21.47 36.49 -15.76 20.63 35.26 2 0 1000.00 -999 ? >TRP.B 108 -14.13 18.54 27.24 -16.77 20.52 29.38 -15.45 19.53 28.31 3 0 1000.00 -999 ? >GLN.B 109 -8.61 24.64 28.23 -8.09 26.46 29.21 -8.35 25.55 28.72 2 0 1000.00 -999 ? >GLN^B 110 -5.71 17.98 27.76 -5.06 17.17 29.63 -5.38 17.57 28.69 2 0 1000.00 -999 ? >VAL^B 111 -1.19 21.73 27.64 -0.02 22.76 29.17 -0.60 22.24 28.40 3 0 1000.00 -999 ? >PHE^B 112 -1.57 20.21 23.25 -3.90 18.69 23.43 -2.74 19.45 23.34 3 0 1000.00 -999 ? >LEU^B 113 5.24 20.39 23.22 7.15 20.39 22.18 6.20 20.39 22.70 3 0 1000.00 -999 ? >ALA^B 114 3.09 22.10 19.34 2.29 23.34 18.96 2.69 22.72 19.15 2 0 1000.00 -999 ? >GLU^B 115 7.29 18.69 16.30 9.07 19.78 16.72 8.18 19.24 16.51 2 0 1000.00 -999 ? >PHE.B 116 4.65 23.97 14.23 2.59 25.04 15.79 3.62 24.51 15.01 3 0 1000.00 -999 ? >ASP.B 117 10.22 21.81 12.37 11.85 21.56 11.04 11.04 21.69 11.71 2 0 1000.00 -999 ? >GLY.B 118 10.07 17.13 13.98 9.93 17.19 13.16 10.00 17.16 13.57 1 0 1000.00 -999 ? >PRO.B 119 10.99 12.51 13.28 10.54 14.56 14.01 10.77 13.54 13.64 3 0 1000.00 -999 ? >ARG.B 120 12.81 18.64 16.15 14.64 20.91 15.21 13.72 19.77 15.68 2 0 1000.00 -999 ? >VAL^B 121 13.24 15.63 21.25 14.02 14.27 22.77 13.63 14.95 22.01 3 0 1000.00 -999 ? >ARG^B 122 11.72 20.41 19.75 12.02 22.01 17.16 11.87 21.21 18.46 2 0 1000.00 -999 ? >GLU^B 123 15.62 20.34 25.92 17.41 21.19 26.65 16.52 20.76 26.28 2 0 1000.00 -999 ? >VAL^B 124 10.45 22.32 27.93 8.32 21.97 27.74 9.38 22.15 27.83 3 0 1000.00 -999 ? >TRP^B 125 14.32 24.23 29.31 16.35 27.41 28.22 15.34 25.82 28.77 3 0 1000.00 -999 ? >VAL^B 126 9.62 24.57 33.88 8.25 22.92 34.32 8.94 23.75 34.10 3 0 1000.00 -999 ? >ARG^B 127 11.83 30.57 36.92 14.11 31.08 38.91 12.97 30.83 37.91 2 0 1000.00 -999 ? >LEU^B 128 8.02 26.82 40.99 7.55 24.70 40.90 7.79 25.76 40.94 3 0 1000.00 -999 ? >LEU.B 129 6.16 32.28 39.84 5.69 32.73 37.78 5.92 32.51 38.81 3 0 1000.00 -999 ? >VAL.C 4 -7.87 33.61 41.97 -7.46 32.58 40.10 -7.67 33.10 41.03 3 0 1000.00 -999 ? >VAL^C 5 -10.82 35.92 41.31 -11.10 38.00 41.86 -10.96 36.96 41.58 3 0 1000.00 -999 ? >ARG^C 6 -14.17 30.80 39.40 -16.17 31.71 41.55 -15.17 31.25 40.48 2 0 1000.00 -999 ? >LEU^C 7 -14.24 38.08 35.67 -13.03 39.69 36.45 -13.63 38.88 36.06 3 0 1000.00 -999 ? >GLU^C 8 -19.48 34.84 36.27 -18.78 33.04 35.42 -19.13 33.94 35.85 2 0 1000.00 -999 ? >VAL^C 9 -18.33 37.70 31.03 -16.50 38.70 30.38 -17.41 38.20 30.70 3 0 1000.00 -999 ? >PRO^C 10 -22.18 39.37 29.74 -20.91 37.59 29.28 -21.54 38.48 29.51 3 0 1000.00 -999 ? >THR.C 11 -20.34 37.26 25.10 -18.84 35.73 25.31 -19.59 36.50 25.21 2 0 1000.00 -999 ? >PRO.C 12 -20.31 39.12 21.14 -21.54 37.64 22.24 -20.92 38.38 21.69 3 0 1000.00 -999 ? >GLU.C 13 -23.96 34.37 17.81 -25.07 34.47 16.03 -24.51 34.42 16.92 2 0 1000.00 -999 ? >GLU.C 14 -16.96 36.69 15.86 -16.91 36.39 13.76 -16.94 36.54 14.81 2 0 1000.00 -999 ? >GLY^C 15 -16.71 39.67 19.04 -16.36 39.09 19.47 -16.54 39.38 19.25 1 0 1000.00 -999 ? >PHE^C 16 -12.16 41.67 19.68 -10.45 40.29 17.95 -11.31 40.98 18.82 3 0 1000.00 -999 ? >VAL^C 17 -15.66 42.12 24.65 -17.19 40.95 25.66 -16.43 41.53 25.15 3 0 1000.00 -999 ? >ASN^C 18 -14.12 46.39 26.35 -12.56 47.64 27.12 -13.34 47.02 26.73 2 0 1000.00 -999 ? >ILE~C 19 -12.86 42.08 30.25 -12.45 40.80 29.82 -12.66 41.44 30.03 3 0 1000.00 -999 ? >THR~C 20 -10.72 46.31 31.10 -9.60 47.78 29.96 -10.16 47.05 30.53 2 0 1000.00 -999 ? >ARG~C 21 -14.83 51.13 32.97 -16.98 52.35 31.15 -15.91 51.74 32.06 2 0 1000.00 -999 ? >LYS~C 22 -14.22 44.47 35.13 -18.53 41.31 32.97 -16.38 42.89 34.05 2 0 1000.00 -999 ? >VAL~C 23 -10.61 43.39 35.65 -9.01 42.51 34.42 -9.81 42.95 35.03 3 0 1000.00 -999 ? >GLU~C 24 -8.64 48.11 35.39 -8.63 50.03 34.51 -8.64 49.07 34.95 2 0 1000.00 -999 ? >ALA~C 25 -12.53 46.27 39.60 -13.97 46.08 39.14 -13.25 46.18 39.37 2 0 1000.00 -999 ? >ALA.C 26 -10.81 43.16 40.99 -10.96 41.85 40.23 -10.89 42.51 40.61 2 0 1000.00 -999 ? >LEU.C 27 -6.72 45.68 40.51 -6.03 44.95 38.60 -6.38 45.31 39.55 3 0 1000.00 -999 ? >SER.C 28 -7.95 46.35 44.92 -9.14 44.41 45.78 -8.54 45.38 45.35 2 0 1000.00 -999 ? >GLY.C 29 -5.33 49.10 44.46 -5.23 48.36 44.24 -5.28 48.73 44.35 1 0 1000.00 -999 ? >HIS.C 30 -1.89 44.38 42.35 -0.23 43.13 42.05 -1.06 43.75 42.20 3 0 1000.00 -999 ? >THR.C 31 0.55 47.88 41.86 1.51 49.81 42.10 1.03 48.84 41.98 2 0 1000.00 -999 ? >GLY^C 32 2.41 45.05 40.16 1.69 45.24 39.71 2.05 45.15 39.94 1 0 1000.00 -999 ? >LEU^C 33 2.60 41.10 37.46 4.42 41.22 36.29 3.51 41.17 36.88 3 0 1000.00 -999 ? >VAL^C 34 -1.84 40.83 36.90 -3.56 42.17 37.02 -2.70 41.50 36.96 3 0 1000.00 -999 ? >TYR^C 35 -2.09 34.79 35.48 -2.44 32.35 34.17 -2.26 33.57 34.82 3 0 1000.00 -999 ? >LEU^C 36 -5.91 37.81 32.39 -6.68 39.72 33.07 -6.29 38.76 32.73 3 0 1000.00 -999 ? >PHE^C 37 -5.99 30.82 32.24 -5.98 28.25 31.13 -5.99 29.53 31.69 3 0 1000.00 -999 ? >VAL.C 38 -9.63 31.89 30.17 -9.82 33.10 28.35 -9.73 32.49 29.26 3 0 1000.00 -999 ? >PRO.C 39 -11.89 28.95 32.46 -10.32 28.92 30.88 -11.11 28.93 31.67 3 0 1000.00 -999 ? >HIS.C 40 -13.68 29.39 28.32 -14.86 29.83 29.99 -14.27 29.61 29.15 3 0 1000.00 -999 ? >THR.C 41 -10.77 26.48 24.06 -11.11 24.36 24.31 -10.94 25.42 24.19 2 0 1000.00 -999 ? >THR.C 42 -12.91 28.52 21.65 -14.61 27.18 21.50 -13.76 27.85 21.57 2 0 1000.00 -999 ? >CYH^C 43 -12.23 32.07 22.87 -13.09 32.08 25.62 -12.66 32.07 24.25 2 0 1000.00 -999 ? >GLY^C 44 -9.09 33.98 23.77 -9.72 34.48 23.90 -9.40 34.23 23.83 1 0 1000.00 -999 ? >LEU^C 45 -7.06 36.82 26.87 -8.20 36.72 28.70 -7.63 36.77 27.78 3 0 1000.00 -999 ? >THR^C 46 -5.82 39.90 23.74 -6.34 40.49 21.73 -6.08 40.19 22.73 2 0 1000.00 -999 ? >VAL^C 47 -4.76 43.51 24.17 -3.42 44.23 25.73 -4.09 43.87 24.95 3 0 1000.00 -999 ? >GLN^C 48 -5.57 44.12 19.32 -4.36 45.46 18.17 -4.97 44.79 18.74 2 0 1000.00 -999 ? >GLU.C 49 -7.47 51.38 19.31 -7.05 52.54 17.61 -7.26 51.96 18.46 2 0 1000.00 -999 ? >GLY.C 50 -10.96 49.81 21.42 -10.53 50.49 21.19 -10.75 50.15 21.30 1 0 1000.00 -999 ? >ALA.C 51 -11.23 53.60 21.02 -10.02 54.54 21.01 -10.62 54.07 21.02 2 0 1000.00 -999 ? >ASP.C 52 -10.91 53.41 16.23 -11.75 53.44 14.29 -11.33 53.42 15.26 2 0 1000.00 -999 ? >PRO~C 53 -16.12 52.24 16.75 -14.27 51.08 17.17 -15.19 51.66 16.96 3 0 1000.00 -999 ? >THR~C 54 -13.59 49.70 13.50 -13.50 51.56 12.39 -13.55 50.63 12.94 2 0 1000.00 -999 ? >VAL~C 55 -10.33 48.11 14.65 -8.54 48.79 15.68 -9.44 48.45 15.16 3 0 1000.00 -999 ? >ALA~C 56 -12.09 45.16 16.30 -12.95 45.24 17.56 -12.52 45.20 16.93 2 0 1000.00 -999 ? >GLN~C 57 -16.22 46.83 13.31 -17.49 47.93 12.00 -16.85 47.38 12.65 2 0 1000.00 -999 ? >ASP~C 58 -10.47 45.55 10.49 -11.39 47.09 9.37 -10.93 46.32 9.93 2 0 1000.00 -999 ? >LEU~C 59 -9.38 42.35 14.77 -7.53 43.20 15.49 -8.46 42.78 15.13 3 0 1000.00 -999 ? >LEU~C 60 -14.16 40.24 14.01 -14.82 39.92 16.03 -14.49 40.08 15.02 3 0 1000.00 -999 ? >GLY~C 61 -13.31 40.17 9.65 -12.63 39.93 10.06 -12.97 40.05 9.86 1 0 1000.00 -999 ? >ARG~C 62 -7.42 42.47 8.69 -5.81 43.74 6.40 -6.61 43.10 7.55 2 0 1000.00 -999 ? >LEU~C 63 -9.90 36.52 12.81 -8.42 36.80 14.35 -9.16 36.66 13.58 3 0 1000.00 -999 ? >ALA~C 64 -12.71 34.96 9.65 -14.03 35.69 9.47 -13.37 35.32 9.56 2 0 1000.00 -999 ? >GLU~C 65 -11.50 37.16 5.48 -10.95 38.91 4.46 -11.22 38.04 4.97 2 0 1000.00 -999 ? >LEU~C 66 -6.82 33.78 8.91 -5.28 35.19 8.41 -6.05 34.49 8.66 3 0 1000.00 -999 ? >ALA~C 67 -10.05 30.77 9.86 -9.85 30.89 11.39 -9.95 30.83 10.63 2 0 1000.00 -999 ? >PRO.C 68 -11.87 29.26 6.24 -12.57 30.35 8.05 -12.22 29.81 7.14 3 0 1000.00 -999 ? >ARG.C 69 -19.07 30.20 11.19 -18.41 32.72 12.83 -18.74 31.46 12.01 2 0 1000.00 -999 ? >HIS.C 70 -17.41 25.86 3.92 -17.78 24.36 2.51 -17.59 25.11 3.22 3 0 1000.00 -999 ? >ARG.C 71 -10.10 23.67 7.04 -8.25 21.22 7.36 -9.17 22.45 7.20 2 0 1000.00 -999 ? >PRO.C 72 -15.00 21.76 1.98 -14.42 21.14 4.04 -14.71 21.45 3.01 3 0 1000.00 -999 ? >GLN.C 73 -9.70 18.81 3.36 -7.73 19.33 2.77 -8.71 19.07 3.07 2 0 1000.00 -999 ? >ASP.C 74 -13.27 20.63 9.41 -12.29 22.45 9.86 -12.78 21.54 9.64 2 0 1000.00 -999 ? >ARG.C 75 -10.51 15.01 8.99 -9.32 14.33 6.24 -9.92 14.67 7.61 2 0 1000.00 -999 ? >HIS.C 76 -13.95 19.56 16.01 -14.80 19.93 17.89 -14.37 19.74 16.95 3 0 1000.00 -999 ? >LEU.C 77 -18.36 16.83 12.14 -17.72 15.86 10.31 -18.04 16.35 11.22 3 0 1000.00 -999 ? >GLU.C 78 -18.69 18.56 17.84 -17.19 17.14 17.38 -17.94 17.85 17.61 2 0 1000.00 -999 ? >GLY.C 79 -18.28 22.85 13.54 -17.90 22.81 14.16 -18.09 22.83 13.85 1 0 1000.00 -999 ? >ASN~C 80 -16.55 25.31 17.20 -16.10 23.72 18.54 -16.33 24.51 17.87 2 0 1000.00 -999 ? >SER~C 81 -12.61 24.22 14.53 -12.26 21.89 13.93 -12.44 23.05 14.23 2 0 1000.00 -999 ? >HIS~C 82 -14.67 28.92 13.06 -16.43 29.35 14.12 -15.55 29.13 13.59 3 0 1000.00 -999 ? >ALA~C 83 -12.90 29.01 16.73 -14.17 28.79 17.53 -13.54 28.90 17.13 2 0 1000.00 -999 ? >HIS~C 84 -11.14 24.39 18.79 -12.35 23.42 20.21 -11.74 23.90 19.50 3 0 1000.00 -999 ? >LEU~C 85 -7.86 27.92 14.06 -6.21 28.29 12.71 -7.03 28.11 13.38 3 0 1000.00 -999 ? >LYS~C 86 -8.67 31.64 16.39 -13.80 33.40 13.17 -11.24 32.52 14.78 2 0 1000.00 -999 ? >SER~C 87 -8.23 30.90 20.09 -8.53 29.77 22.23 -8.38 30.33 21.16 2 0 1000.00 -999 ? >LEU~C 88 -4.47 28.13 18.69 -2.68 27.35 17.73 -3.57 27.74 18.21 3 0 1000.00 -999 ? >LEU~C 89 -4.37 32.70 15.98 -3.88 31.78 14.10 -4.12 32.24 15.04 3 0 1000.00 -999 ? >THR~C 90 -4.86 34.88 19.85 -6.74 35.94 19.83 -5.80 35.41 19.84 2 0 1000.00 -999 ? >GLY~C 91 -3.84 33.10 23.04 -4.67 33.27 22.93 -4.26 33.19 22.99 1 0 1000.00 -999 ? >VAL.C 92 -5.67 32.26 26.26 -5.97 30.12 25.98 -5.82 31.19 26.12 3 0 1000.00 -999 ? >HIS^C 93 -1.25 33.26 29.29 0.73 33.38 28.63 -0.26 33.32 28.96 3 0 1000.00 -999 ? >LEU^C 94 -3.15 38.65 29.26 -3.83 39.43 27.38 -3.49 39.04 28.32 3 0 1000.00 -999 ? >LEU^C 95 1.61 38.40 32.10 2.55 38.11 34.02 2.08 38.26 33.06 3 0 1000.00 -999 ? >LEU^C 96 -1.48 43.37 32.12 -2.47 43.14 30.22 -1.97 43.26 31.17 3 0 1000.00 -999 ? >LEU^C 97 2.38 46.40 34.49 4.47 45.91 34.63 3.42 46.15 34.56 3 0 1000.00 -999 ? >ALA^C 98 -1.11 47.65 37.02 -2.19 46.84 37.71 -1.65 47.24 37.36 2 0 1000.00 -999 ? >GLU^C 99 0.61 53.05 39.20 1.33 54.74 38.17 0.97 53.90 38.68 2 0 1000.00 -999 ? >LYS.C 100 -2.72 51.47 42.07 0.54 54.23 45.22 -1.09 52.85 43.64 2 0 1000.00 -999 ? >GLY.C 101 -5.68 49.44 40.87 -5.20 49.75 40.34 -5.44 49.59 40.61 1 0 1000.00 -999 ? >ARG^C 102 -7.94 52.12 37.26 -9.34 53.02 39.84 -8.64 52.57 38.55 2 0 1000.00 -999 ? >LEU^C 103 -4.86 47.69 33.31 -5.58 45.67 33.57 -5.22 46.68 33.44 3 0 1000.00 -999 ? >ARG.C 104 2.89 50.64 33.84 3.35 52.38 36.33 3.12 51.51 35.09 2 0 1000.00 -999 ? >LEU.C 105 -3.17 49.72 28.92 -4.04 47.77 29.24 -3.60 48.75 29.08 3 0 1000.00 -999 ? >GLY.C 106 -0.71 52.14 26.23 -1.50 52.03 26.52 -1.11 52.09 26.38 1 0 1000.00 -999 ? >ARG.C 107 -2.17 58.25 22.67 -4.37 60.40 22.85 -3.27 59.33 22.76 2 0 1000.00 -999 ? >TRP.C 108 -3.60 54.96 19.79 -6.31 57.44 21.20 -4.95 56.20 20.49 3 0 1000.00 -999 ? >GLN.C 109 -2.54 48.68 24.07 -0.77 47.94 25.00 -1.66 48.31 24.54 2 0 1000.00 -999 ? >GLN^C 110 -9.44 49.71 25.61 -9.66 50.41 27.60 -9.55 50.06 26.60 2 0 1000.00 -999 ? >VAL^C 111 -8.14 44.23 27.38 -7.27 43.36 29.17 -7.71 43.80 28.27 3 0 1000.00 -999 ? >PHE^C 112 -10.77 43.75 23.43 -11.23 46.38 22.60 -11.00 45.07 23.02 3 0 1000.00 -999 ? >LEU^C 113 -13.10 38.27 26.80 -14.10 36.35 26.94 -13.60 37.31 26.87 3 0 1000.00 -999 ? >ALA^C 114 -12.12 37.60 22.13 -10.88 37.48 21.25 -11.50 37.54 21.69 2 0 1000.00 -999 ? >GLU^C 115 -17.64 34.71 22.04 -17.11 33.00 23.17 -17.38 33.85 22.61 2 0 1000.00 -999 ? >PHE.C 116 -12.65 33.58 18.31 -10.47 35.32 18.53 -11.56 34.45 18.42 3 0 1000.00 -999 ? >ASP.C 117 -17.09 29.34 19.71 -18.36 27.66 19.49 -17.73 28.50 19.60 2 0 1000.00 -999 ? >GLY.C 118 -20.53 32.33 21.59 -20.71 32.09 20.81 -20.62 32.21 21.20 1 0 1000.00 -999 ? >PRO.C 119 -25.09 33.46 22.16 -22.90 33.12 22.21 -24.00 33.29 22.18 3 0 1000.00 -999 ? >ARG.C 120 -19.89 29.24 25.30 -18.51 26.83 24.01 -19.20 28.04 24.66 2 0 1000.00 -999 ? >VAL^C 121 -21.11 33.47 29.81 -22.36 33.88 31.53 -21.74 33.67 30.67 3 0 1000.00 -999 ? >ARG^C 122 -16.75 31.61 26.99 -16.17 29.62 24.74 -16.46 30.62 25.87 2 0 1000.00 -999 ? >GLU^C 123 -16.23 31.23 34.39 -15.88 30.55 36.37 -16.05 30.89 35.38 2 0 1000.00 -999 ? >VAL^C 124 -11.84 34.86 33.18 -11.41 36.65 32.01 -11.63 35.75 32.59 3 0 1000.00 -999 ? >TRP^C 125 -11.09 31.55 36.32 -9.37 28.06 35.76 -10.23 29.80 36.04 3 0 1000.00 -999 ? >VAL^C 126 -7.55 36.92 37.67 -8.27 38.95 37.40 -7.91 37.94 37.53 3 0 1000.00 -999 ? >ARG^C 127 -2.21 33.50 40.73 -1.77 32.12 43.44 -1.99 32.81 42.08 2 0 1000.00 -999 ? >LEU^C 128 -2.89 40.30 42.49 -4.60 41.60 42.24 -3.74 40.95 42.37 3 0 1000.00 -999 ? >LEU^C 129 1.88 37.73 40.82 1.89 37.41 38.68 1.89 37.57 39.75 3 0 1000.00 -999 ?