REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-APR-07 2YYB COMPND HYPOTHETICAL PROTEIN TTHA1606; COMPND 3 CHAIN: A, B; 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 GENE: TTHA1606; 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: PET11A AUTHOR F.TOMOIKE,N.NAKAGWA,A.EBIHARA,S.YOKOYAMA,R.MASUI,S.KURAMITSU,RIKEN AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) >MET.A 1 10.95 36.45 42.88 11.72 32.55 41.70 11.33 34.50 42.29 2 0 1000.00 -999 ? >ASP~A 2 6.27 35.43 43.47 4.61 34.93 44.65 5.44 35.18 44.06 2 0 1000.00 -999 ? >ARG~A 3 6.38 32.64 50.35 4.63 34.69 51.85 5.50 33.67 51.10 2 0 1000.00 -999 ? >ASP~A 4 3.55 31.85 46.60 3.02 32.65 48.50 3.28 32.25 47.55 2 0 1000.00 -999 ? >GLU~A 5 5.32 32.20 41.62 5.78 33.53 40.05 5.55 32.86 40.83 2 0 1000.00 -999 ? >LEU~A 6 10.54 30.42 45.31 12.65 29.89 45.39 11.59 30.16 45.35 3 0 1000.00 -999 ? >VAL~A 7 8.00 27.19 47.01 7.21 27.40 49.04 7.61 27.30 48.02 3 0 1000.00 -999 ? >ARG~A 8 2.43 27.07 43.58 2.27 30.10 43.11 2.35 28.58 43.34 2 0 1000.00 -999 ? >TYR~A 9 10.84 25.54 40.66 12.96 24.49 39.14 11.90 25.02 39.90 3 0 1000.00 -999 ? >LEU~A 10 11.39 24.25 45.98 13.26 25.31 45.91 12.32 24.78 45.95 3 0 1000.00 -999 ? >ASP~A 11 6.75 21.57 46.39 6.78 22.66 48.22 6.77 22.11 47.31 2 0 1000.00 -999 ? >ALA~A 12 7.84 20.18 42.26 7.40 21.12 41.15 7.62 20.65 41.71 2 0 1000.00 -999 ? >TYR~A 13 13.90 20.78 41.00 16.53 20.23 40.19 15.21 20.50 40.60 3 0 1000.00 -999 ? >LEU~A 14 12.60 18.55 45.88 14.28 19.85 46.29 13.44 19.20 46.08 3 0 1000.00 -999 ? >ARG~A 15 10.37 13.88 41.46 12.35 13.68 39.10 11.36 13.78 40.28 2 0 1000.00 -999 ? >ILE~A 16 8.50 17.20 48.89 8.35 18.59 49.13 8.42 17.90 49.01 3 0 1000.00 -999 ? >GLN~A 17 4.54 14.11 45.09 5.82 15.64 44.31 5.18 14.87 44.70 2 0 1000.00 -999 ? >ASP~A 18 8.38 10.90 45.65 7.52 11.10 43.73 7.95 11.00 44.69 2 0 1000.00 -999 ? >PHE~A 19 10.98 11.52 49.29 12.64 11.70 47.03 11.81 11.61 48.16 3 0 1000.00 -999 ? >PRO.A 20 5.04 8.81 51.19 6.12 10.58 52.01 5.58 9.70 51.60 3 0 1000.00 -999 ? >GLN.A 21 9.02 6.87 54.24 9.31 7.91 52.39 9.17 7.39 53.31 2 0 1000.00 -999 ? >ASP.A 22 10.47 12.39 55.03 12.36 13.21 55.52 11.41 12.80 55.28 2 0 1000.00 -999 ? >PRO.A 23 11.68 11.67 60.09 9.74 12.15 59.09 10.71 11.91 59.59 3 0 1000.00 -999 ? >SER.A 24 10.75 15.98 58.87 12.10 16.31 56.90 11.42 16.14 57.89 2 0 1000.00 -999 ? >LEU.A 25 7.48 19.47 58.33 5.40 19.47 57.79 6.44 19.47 58.06 3 0 1000.00 -999 ? >ASN.A 26 9.80 17.83 52.94 11.35 16.51 53.67 10.57 17.17 53.31 2 0 1000.00 -999 ? >GLY^A 27 8.79 22.24 52.18 9.23 22.31 52.90 9.01 22.28 52.54 1 0 1000.00 -999 ? >LEU^A 28 7.37 26.83 52.95 7.57 28.98 53.17 7.47 27.91 53.06 3 0 1000.00 -999 ? >GLN^A 29 10.21 23.46 57.40 11.33 22.20 58.73 10.77 22.83 58.06 2 0 1000.00 -999 ? >VAL^A 30 8.51 29.11 58.27 9.46 29.70 60.16 8.98 29.41 59.22 3 0 1000.00 -999 ? >GLU.A 31 5.04 33.17 55.11 2.94 33.50 55.27 3.99 33.33 55.19 2 0 1000.00 -999 ? >GLY.A 32 8.88 35.20 55.57 8.28 35.03 54.97 8.58 35.11 55.27 1 0 1000.00 -999 ? >LYS.A 33 8.92 38.00 52.96 14.48 40.95 53.50 11.70 39.48 53.23 2 0 1000.00 -999 ? >ARG.A 34 3.18 37.98 48.40 2.70 36.51 45.72 2.94 37.24 47.06 2 0 1000.00 -999 ? >THR.A 35 9.49 38.96 47.61 9.31 40.77 46.42 9.40 39.87 47.02 2 0 1000.00 -999 ? >VAL.A 36 12.68 36.91 47.45 12.85 34.77 47.80 12.77 35.84 47.62 3 0 1000.00 -999 ? >ARG.A 37 14.88 42.27 47.43 12.76 44.23 46.40 13.82 43.25 46.92 2 0 1000.00 -999 ? >LYS.A 38 18.62 36.42 47.90 23.95 38.44 50.57 21.29 37.43 49.23 2 0 1000.00 -999 ? >VAL^A 39 18.89 32.71 48.65 18.27 30.99 47.44 18.58 31.85 48.05 3 0 1000.00 -999 ? >GLY^A 40 20.73 31.22 51.60 20.18 30.68 51.14 20.45 30.95 51.37 1 0 1000.00 -999 ? >ALA^A 41 21.90 27.58 51.78 22.52 27.01 50.50 22.21 27.30 51.14 2 0 1000.00 -999 ? >ALA^A 42 22.96 25.70 54.95 22.67 26.63 56.17 22.81 26.17 55.56 2 0 1000.00 -999 ? >VAL^A 43 23.11 22.16 56.32 24.72 20.72 56.47 23.92 21.44 56.40 3 0 1000.00 -999 ? >ASP^A 44 22.02 22.12 60.88 23.19 20.38 60.45 22.60 21.25 60.67 2 0 1000.00 -999 ? >ALA.A 45 18.62 24.96 61.06 17.17 24.55 61.20 17.90 24.76 61.13 2 0 1000.00 -999 ? >GLY~A 46 19.79 26.73 64.20 19.58 27.34 63.63 19.68 27.03 63.92 1 0 1000.00 -999 ? >GLU~A 47 20.57 31.78 67.77 18.97 33.17 67.55 19.77 32.47 67.66 2 0 1000.00 -999 ? >ALA~A 48 23.71 30.57 64.68 24.89 29.65 64.95 24.30 30.11 64.82 2 0 1000.00 -999 ? >ILE~A 49 22.32 28.49 60.46 23.19 28.36 59.36 22.76 28.43 59.91 3 0 1000.00 -999 ? >PHE~A 50 17.85 30.57 61.97 16.35 28.31 61.35 17.10 29.44 61.66 3 0 1000.00 -999 ? >ARG~A 51 21.38 36.55 65.46 18.97 38.18 66.43 20.17 37.37 65.95 2 0 1000.00 -999 ? >LYS~A 52 24.22 34.63 59.74 27.81 30.57 61.27 26.01 32.60 60.50 2 0 1000.00 -999 ? >ALA~A 53 21.31 34.56 57.29 20.14 33.59 57.29 20.72 34.08 57.29 2 0 1000.00 -999 ? >LEU~A 54 19.84 37.90 60.45 18.49 39.33 61.33 19.16 38.62 60.89 3 0 1000.00 -999 ? >GLU~A 55 26.09 39.72 59.03 26.14 41.42 60.34 26.12 40.57 59.68 2 0 1000.00 -999 ? >GLU~A 56 25.58 36.37 55.03 27.21 37.40 54.16 26.40 36.88 54.59 2 0 1000.00 -999 ? >GLU.A 57 20.92 42.09 54.28 21.15 43.89 53.19 21.04 42.99 53.73 2 0 1000.00 -999 ? >VAL.A 58 19.06 36.17 53.13 19.86 34.14 53.23 19.46 35.15 53.18 3 0 1000.00 -999 ? >ASP.A 59 14.78 36.83 50.96 15.36 38.84 50.89 15.07 37.83 50.93 2 0 1000.00 -999 ? >PHE^A 60 13.62 31.03 49.79 11.91 28.85 49.38 12.77 29.94 49.59 3 0 1000.00 -999 ? >LEU^A 61 17.12 30.25 55.13 18.90 29.64 56.15 18.01 29.95 55.64 3 0 1000.00 -999 ? >ILE^A 62 17.54 26.13 50.96 17.17 25.74 49.64 17.35 25.93 50.30 3 0 1000.00 -999 ? >VAL^A 63 18.34 23.75 54.90 17.67 24.73 56.73 18.01 24.24 55.81 3 0 1000.00 -999 ? >HIS^A 64 19.88 17.72 54.33 19.53 15.69 53.90 19.71 16.71 54.12 3 0 1000.00 -999 ? >HIS^A 65 19.80 17.99 58.98 20.76 16.23 58.37 20.28 17.11 58.67 3 0 1000.00 -999 ? >GLY.A 66 14.85 21.71 59.40 15.08 21.17 59.89 14.96 21.44 59.64 1 0 1000.00 -999 ? >LEU.A 67 12.24 23.88 62.73 13.24 25.68 63.30 12.74 24.78 63.01 3 0 1000.00 -999 ? >PHE.A 68 8.34 21.75 62.21 7.63 24.31 63.04 7.98 23.03 62.62 3 0 1000.00 -999 ? >TRP.A 69 13.12 17.62 63.88 15.16 16.34 60.75 14.14 16.98 62.32 3 0 1000.00 -999 ? >GLY.A 70 6.58 15.17 63.80 7.04 15.65 64.29 6.81 15.41 64.04 1 0 1000.00 -999 ? >LYS.A 71 7.34 16.07 67.43 11.88 18.75 67.07 9.61 17.41 67.25 2 0 1000.00 -999 ? >PRO.A 72 3.69 17.80 69.28 5.54 18.49 68.25 4.62 18.15 68.76 3 0 1000.00 -999 ? >PHE.A 73 9.32 22.09 69.10 9.96 23.36 66.68 9.64 22.73 67.89 3 0 1000.00 -999 ? >PRO.A 74 7.65 23.40 74.48 6.72 23.74 72.49 7.18 23.57 73.49 3 0 1000.00 -999 ? >ILE.A 75 6.83 28.73 70.38 6.90 28.44 69.49 6.87 28.59 69.93 3 0 1000.00 -999 ? >VAL~A 76 9.83 28.28 74.35 9.03 27.65 76.28 9.43 27.96 75.32 3 0 1000.00 -999 ? >GLY~A 77 13.51 28.91 75.03 13.14 29.02 74.37 13.33 28.97 74.70 1 0 1000.00 -999 ? >HIS~A 78 16.54 25.89 71.70 15.97 23.89 71.41 16.26 24.89 71.55 3 0 1000.00 -999 ? >HIS~A 79 12.15 25.10 70.45 12.71 23.17 71.01 12.43 24.13 70.73 3 0 1000.00 -999 ? >LYS~A 80 11.42 30.90 70.44 10.07 35.91 73.46 10.75 33.41 71.95 2 0 1000.00 -999 ? >ARG~A 81 17.34 33.25 72.64 17.44 30.65 74.23 17.39 31.95 73.44 2 0 1000.00 -999 ? >ARG~A 82 15.94 27.17 66.68 17.29 24.42 66.68 16.61 25.79 66.68 2 0 1000.00 -999 ? >LEU~A 83 10.35 31.71 65.86 9.48 29.85 65.28 9.92 30.78 65.57 3 0 1000.00 -999 ? >GLU~A 84 11.78 36.00 68.99 12.48 36.57 70.90 12.13 36.29 69.95 2 0 1000.00 -999 ? >THR~A 85 15.41 35.76 64.29 17.38 35.01 64.66 16.39 35.38 64.47 2 0 1000.00 -999 ? >LEU~A 86 12.96 33.10 60.96 13.94 31.24 60.43 13.45 32.17 60.70 3 0 1000.00 -999 ? >PHE~A 87 8.88 35.86 63.27 7.05 33.78 63.62 7.97 34.82 63.44 3 0 1000.00 -999 ? >GLN~A 88 14.86 41.15 63.72 16.50 41.07 65.10 15.68 41.11 64.41 2 0 1000.00 -999 ? >GLY~A 89 14.61 39.26 59.08 13.89 38.99 59.15 14.25 39.12 59.11 1 0 1000.00 -999 ? >GLY.A 90 11.57 38.30 57.05 12.28 37.88 57.20 11.93 38.09 57.13 1 0 1000.00 -999 ? >ILE.A 91 14.66 34.63 57.19 16.02 34.45 57.46 15.34 34.54 57.33 3 0 1000.00 -999 ? >ASN^A 92 11.21 32.14 53.20 9.88 33.68 52.61 10.54 32.91 52.90 2 0 1000.00 -999 ? >LEU^A 93 12.62 28.39 57.44 14.20 27.24 58.39 13.41 27.81 57.91 3 0 1000.00 -999 ? >TYR^A 94 12.08 25.25 50.99 11.03 23.26 49.30 11.56 24.25 50.14 3 0 1000.00 -999 ? >ALA^A 95 13.53 22.44 54.55 13.14 21.99 55.99 13.33 22.22 55.27 2 0 1000.00 -999 ? >ALA.A 96 14.42 19.50 52.27 14.93 19.94 50.90 14.68 19.72 51.58 2 0 1000.00 -999 ? >HIS~A 97 15.36 14.74 56.03 16.26 13.41 57.38 15.81 14.07 56.70 3 0 1000.00 -999 ? >LEU~A 98 14.12 11.75 52.49 14.25 10.20 54.00 14.19 10.97 53.24 3 0 1000.00 -999 ? >PRO~A 99 12.81 15.80 50.12 14.22 14.19 49.58 13.51 15.00 49.85 3 0 1000.00 -999 ? >LEU~A 100 17.68 17.67 49.78 19.27 19.07 49.27 18.47 18.37 49.52 3 0 1000.00 -999 ? >ASP~A 101 18.93 12.53 51.07 20.07 13.04 52.83 19.50 12.79 51.95 2 0 1000.00 -999 ? >ALA~A 102 17.97 11.38 46.90 16.67 10.59 47.00 17.32 10.98 46.95 2 0 1000.00 -999 ? >HIS~A 103 16.93 16.10 43.03 15.98 16.93 41.36 16.46 16.52 42.20 3 0 1000.00 -999 ? >GLU.A 104 18.32 12.68 38.70 16.45 13.56 39.16 17.39 13.12 38.93 2 0 1000.00 -999 ? >GLU.A 105 19.08 16.86 37.70 20.78 17.15 36.45 19.93 17.00 37.08 2 0 1000.00 -999 ? >VAL.A 106 21.26 18.21 43.02 19.85 19.87 42.83 20.55 19.04 42.93 3 0 1000.00 -999 ? >GLY~A 107 20.90 15.44 45.63 21.58 15.77 45.31 21.24 15.61 45.47 1 0 1000.00 -999 ? >ASN~A 108 23.39 14.67 49.72 22.88 16.31 50.97 23.14 15.49 50.35 2 0 1000.00 -999 ? >ASN~A 109 23.82 10.52 47.39 23.62 10.44 49.50 23.72 10.48 48.44 2 0 1000.00 -999 ? >PHE~A 110 22.60 11.07 41.79 21.29 8.81 40.71 21.95 9.94 41.25 3 0 1000.00 -999 ? >VAL~A 111 26.30 15.26 43.40 25.73 17.35 43.70 26.02 16.31 43.55 3 0 1000.00 -999 ? >LEU~A 112 28.86 13.43 47.14 30.56 13.04 48.41 29.71 13.24 47.77 3 0 1000.00 -999 ? >ALA~A 113 29.44 10.80 43.57 28.31 9.97 43.00 28.88 10.38 43.28 2 0 1000.00 -999 ? >ARG~A 114 27.20 14.11 38.50 24.56 12.58 38.62 25.88 13.35 38.56 2 0 1000.00 -999 ? >GLU~A 115 31.86 17.49 42.82 33.24 18.27 41.38 32.55 17.88 42.10 2 0 1000.00 -999 ? >LEU.A 116 33.62 10.91 44.24 34.47 10.45 46.14 34.05 10.68 45.19 3 0 1000.00 -999 ? >GLY.A 117 34.55 9.94 40.01 33.80 9.82 40.35 34.18 9.88 40.18 1 0 1000.00 -999 ? >LEU.A 118 30.74 7.27 41.25 31.96 6.94 42.99 31.35 7.10 42.12 3 0 1000.00 -999 ? >VAL.A 119 30.28 6.49 36.78 32.10 5.94 35.74 31.19 6.21 36.26 3 0 1000.00 -999 ? >ASP.A 120 28.06 2.84 35.73 29.35 2.45 34.08 28.70 2.64 34.90 2 0 1000.00 -999 ? >LEU.A 121 25.32 7.42 38.69 26.96 8.54 39.57 26.14 7.98 39.13 3 0 1000.00 -999 ? >THR.A 122 22.08 4.38 39.59 21.96 2.23 39.71 22.02 3.31 39.65 2 0 1000.00 -999 ? >PRO.A 123 18.11 5.08 41.23 20.18 4.95 42.01 19.14 5.02 41.62 3 0 1000.00 -999 ? >TRP.A 124 22.27 -0.02 46.02 22.43 -0.06 49.95 22.35 -0.04 47.98 3 0 1000.00 -999 ? >ASP.A 125 18.69 3.02 49.94 17.54 3.35 51.70 18.11 3.18 50.82 2 0 1000.00 -999 ? >VAL.A 126 16.45 6.66 49.50 15.45 6.71 51.46 15.95 6.68 50.48 3 0 1000.00 -999 ? >GLY.A 127 18.90 9.49 49.72 18.84 8.95 49.15 18.87 9.22 49.44 1 0 1000.00 -999 ? >VAL.A 128 21.21 7.71 47.31 23.04 7.50 48.38 22.12 7.60 47.85 3 0 1000.00 -999 ? >LYS.A 129 22.36 5.84 44.30 26.90 8.71 45.22 24.63 7.27 44.76 2 0 1000.00 -999 ? >GLY.A 130 25.63 4.26 45.31 25.19 4.23 44.63 25.41 4.24 44.97 1 0 1000.00 -999 ? >ARG.A 131 24.47 -1.20 43.29 25.49 -4.10 43.74 24.98 -2.65 43.51 2 0 1000.00 -999 ? >PHE.A 132 27.87 4.24 40.80 26.72 5.85 42.76 27.29 5.04 41.78 3 0 1000.00 -999 ? >PRO.A 133 31.69 1.10 37.13 32.18 1.62 39.25 31.94 1.36 38.19 3 0 1000.00 -999 ? >GLN.A 134 36.77 4.77 40.79 35.32 4.23 42.25 36.04 4.50 41.52 2 0 1000.00 -999 ? >PRO.A 135 37.96 0.95 35.32 37.43 2.01 37.20 37.70 1.48 36.26 3 0 1000.00 -999 ? >THR.A 136 39.87 -0.29 40.07 40.64 -2.15 39.33 40.25 -1.22 39.70 2 0 1000.00 -999 ? >PRO.A 137 39.38 3.44 42.52 40.95 1.95 41.97 40.17 2.70 42.25 3 0 1000.00 -999 ? >LEU.A 138 44.53 2.33 46.03 45.50 4.14 45.35 45.02 3.23 45.69 3 0 1000.00 -999 ? >LEU.A 139 41.32 1.94 50.15 39.58 1.68 51.43 40.45 1.81 50.79 3 0 1000.00 -999 ? >GLN~A 140 45.29 5.97 49.25 44.45 5.68 51.20 44.87 5.83 50.23 2 0 1000.00 -999 ? >VAL~A 141 39.54 7.52 47.52 38.21 5.80 47.44 38.88 6.66 47.48 3 0 1000.00 -999 ? >ALA~A 142 39.89 8.46 51.19 40.59 7.59 52.21 40.24 8.03 51.70 2 0 1000.00 -999 ? >ASP~A 143 43.47 10.98 49.35 44.68 9.89 50.69 44.08 10.43 50.02 2 0 1000.00 -999 ? >ARG~A 144 39.32 10.65 43.97 39.51 8.59 41.69 39.42 9.62 42.83 2 0 1000.00 -999 ? >LEU~A 145 36.89 11.59 50.98 35.44 10.24 50.11 36.16 10.91 50.54 3 0 1000.00 -999 ? >GLY~A 146 39.63 14.58 52.40 39.43 14.77 51.66 39.53 14.67 52.03 1 0 1000.00 -999 ? >GLN~A 147 41.32 16.15 47.59 39.86 16.86 46.20 40.59 16.50 46.90 2 0 1000.00 -999 ? >LEU~A 148 36.29 16.32 47.93 34.88 16.26 46.32 35.59 16.29 47.12 3 0 1000.00 -999 ? >THR.A 149 36.07 18.05 52.37 35.32 16.57 53.79 35.70 17.31 53.08 2 0 1000.00 -999 ? >GLY.A 150 39.10 19.64 53.99 38.82 18.87 54.18 38.96 19.26 54.09 1 0 1000.00 -999 ? >MET.A 151 39.08 16.81 56.51 39.41 17.00 59.71 39.24 16.91 58.11 2 0 1000.00 -999 ? >GLN.A 152 43.21 12.68 56.15 42.83 10.88 55.03 43.02 11.78 55.59 2 0 1000.00 -999 ? >PRO.A 153 38.41 10.25 54.46 38.49 11.18 56.48 38.45 10.71 55.47 3 0 1000.00 -999 ? >LEU^A 154 36.79 7.60 60.15 36.95 6.31 61.87 36.87 6.96 61.01 3 0 1000.00 -999 ? >VAL^A 155 38.25 4.47 57.06 40.11 4.41 55.89 39.18 4.44 56.47 3 0 1000.00 -999 ? >HIS^A 156 36.01 1.45 60.28 35.74 2.35 62.15 35.88 1.90 61.21 3 0 1000.00 -999 ? >GLN^A 157 40.65 -2.44 54.19 42.65 -2.29 53.48 41.65 -2.36 53.84 2 0 1000.00 -999 ? >GLY.A 158 37.55 -5.03 56.38 37.75 -4.79 55.57 37.65 -4.91 55.97 1 0 1000.00 -999 ? >GLY.A 159 37.64 -6.02 52.75 38.18 -5.46 53.00 37.91 -5.74 52.87 1 0 1000.00 -999 ? >LEU.A 160 39.16 -4.86 48.37 38.29 -6.27 47.00 38.73 -5.57 47.68 3 0 1000.00 -999 ? >ASP.A 161 44.03 -3.24 49.35 45.42 -1.84 50.01 44.72 -2.54 49.68 2 0 1000.00 -999 ? >HIS.A 162 43.54 -2.00 44.90 45.59 -1.67 45.25 44.57 -1.84 45.07 3 0 1000.00 -999 ? >VAL.A 163 37.65 -0.92 45.39 37.28 0.64 46.91 37.46 -0.14 46.15 3 0 1000.00 -999 ? >GLU.A 164 34.97 -1.84 39.97 35.96 -2.95 38.45 35.47 -2.39 39.21 2 0 1000.00 -999 ? >THR.A 165 31.85 -0.75 43.19 31.03 -2.76 43.06 31.44 -1.76 43.12 2 0 1000.00 -999 ? >VAL^A 166 30.95 2.08 45.55 32.45 3.63 45.82 31.70 2.86 45.68 3 0 1000.00 -999 ? >ILE^A 167 26.87 1.80 48.16 25.65 1.05 48.38 26.26 1.42 48.27 3 0 1000.00 -999 ? >LEU^A 168 27.45 7.57 47.77 28.58 9.09 48.84 28.02 8.33 48.30 3 0 1000.00 -999 ? >VAL^A 169 24.67 7.45 51.44 23.18 5.94 52.02 23.92 6.70 51.73 3 0 1000.00 -999 ? >SER.A 170 25.38 10.73 53.24 23.97 12.48 52.31 24.67 11.61 52.77 2 0 1000.00 -999 ? >GLY.A 171 24.59 11.51 56.86 25.01 10.83 56.62 24.80 11.17 56.74 1 0 1000.00 -999 ? >SER.A 172 23.74 8.48 58.99 23.47 9.45 61.22 23.61 8.96 60.10 2 0 1000.00 -999 ? >GLY~A 173 23.74 5.54 56.63 24.08 5.43 57.33 23.91 5.49 56.98 1 0 1000.00 -999 ? >THR~A 174 25.07 2.86 58.98 25.95 3.73 60.73 25.51 3.30 59.86 2 0 1000.00 -999 ? >GLY~A 175 21.54 1.59 59.48 22.06 1.58 58.82 21.80 1.59 59.15 1 0 1000.00 -999 ? >LEU~A 176 21.87 1.46 54.66 20.27 2.36 53.51 21.07 1.91 54.09 3 0 1000.00 -999 ? >LEU~A 177 25.76 -1.67 57.82 27.78 -0.99 58.11 26.77 -1.33 57.97 3 0 1000.00 -999 ? >PRO~A 178 21.60 -3.91 57.33 23.56 -4.32 56.39 22.58 -4.11 56.86 3 0 1000.00 -999 ? >LYS~A 179 22.26 -4.35 52.62 17.06 -4.07 54.61 19.66 -4.21 53.62 2 0 1000.00 -999 ? >VAL~A 180 25.55 -2.86 51.41 27.01 -1.44 52.17 26.28 -2.15 51.79 3 0 1000.00 -999 ? >ASP.A 181 25.65 -5.75 47.86 24.83 -4.70 46.21 25.24 -5.23 47.04 2 0 1000.00 -999 ? >ALA.A 182 29.67 -2.95 47.06 29.40 -1.42 46.86 29.54 -2.18 46.96 2 0 1000.00 -999 ? >ASP.A 183 34.50 -2.84 46.35 34.14 -4.12 44.73 34.32 -3.48 45.54 2 0 1000.00 -999 ? >LEU^A 184 34.05 1.34 48.78 34.76 3.05 49.88 34.41 2.19 49.33 3 0 1000.00 -999 ? >PHE^A 185 28.51 2.00 52.92 26.22 3.16 54.03 27.37 2.58 53.48 3 0 1000.00 -999 ? >VAL^A 186 30.57 5.90 51.77 31.59 7.22 50.39 31.08 6.56 51.08 3 0 1000.00 -999 ? >THR^A 187 28.59 7.66 54.47 27.54 6.67 56.11 28.06 7.17 55.29 2 0 1000.00 -999 ? >GLY.A 188 29.07 10.40 57.04 28.92 9.72 57.34 29.00 10.06 57.19 1 0 1000.00 -999 ? >GLU.A 189 27.77 10.60 62.73 26.26 11.90 63.51 27.02 11.25 63.12 2 0 1000.00 -999 ? >PRO.A 190 31.79 7.72 63.08 30.00 6.93 62.04 30.89 7.33 62.56 3 0 1000.00 -999 ? >LYS~A 191 28.30 4.18 64.88 23.80 3.32 66.24 26.05 3.75 65.56 2 0 1000.00 -999 ? >HIS~A 192 30.46 1.11 69.83 31.37 -0.49 70.85 30.91 0.31 70.34 3 0 1000.00 -999 ? >SER~A 193 27.16 -0.58 67.10 25.14 0.47 66.29 26.15 -0.06 66.69 2 0 1000.00 -999 ? >VAL~A 194 28.28 -1.41 63.52 27.43 0.16 62.27 27.86 -0.62 62.90 3 0 1000.00 -999 ? >PHE~A 195 34.18 -1.46 65.36 36.95 -1.51 65.09 35.56 -1.48 65.22 3 0 1000.00 -999 ? >HIS~A 196 32.92 -6.07 66.82 34.34 -5.60 68.28 33.63 -5.83 67.55 3 0 1000.00 -999 ? >GLU~A 197 27.56 -6.43 60.62 25.84 -5.36 60.04 26.70 -5.89 60.33 2 0 1000.00 -999 ? >THR~A 198 31.73 -4.06 59.29 32.12 -1.96 58.99 31.92 -3.01 59.14 2 0 1000.00 -999 ? >PHE~A 199 36.56 -4.59 60.85 37.56 -1.97 60.93 37.06 -3.28 60.89 3 0 1000.00 -999 ? >GLU~A 200 33.13 -10.04 62.49 31.81 -10.67 63.95 32.47 -10.36 63.22 2 0 1000.00 -999 ? >ARG~A 201 27.99 -8.56 55.71 25.91 -6.68 56.89 26.95 -7.62 56.30 2 0 1000.00 -999 ? >GLY.A 202 34.73 -7.73 55.05 34.02 -7.38 55.13 34.38 -7.55 55.09 1 0 1000.00 -999 ? >LEU.A 203 31.90 -3.90 54.94 29.91 -4.51 54.37 30.91 -4.20 54.65 3 0 1000.00 -999 ? >ASN^A 204 35.79 -1.06 51.96 37.61 -2.16 51.75 36.70 -1.61 51.85 2 0 1000.00 -999 ? >VAL^A 205 33.58 1.80 54.88 31.82 1.50 56.14 32.70 1.65 55.51 3 0 1000.00 -999 ? >ILE^A 206 35.16 6.11 53.50 36.65 6.27 53.63 35.90 6.19 53.57 3 0 1000.00 -999 ? >TYR^A 207 32.26 6.33 59.06 30.97 3.86 59.39 31.62 5.10 59.22 3 0 1000.00 -999 ? >ALA.A 208 33.47 11.48 55.93 33.43 11.69 54.42 33.45 11.58 55.18 2 0 1000.00 -999 ? >GLY~A 209 31.36 13.41 58.45 30.97 12.98 57.88 31.17 13.20 58.17 1 0 1000.00 -999 ? >HIS~A 210 25.33 13.66 59.82 23.28 13.53 59.41 24.31 13.59 59.61 3 0 1000.00 -999 ? >TYR~A 211 28.72 20.15 58.62 28.68 22.84 57.85 28.70 21.49 58.24 3 0 1000.00 -999 ? >ASP~A 212 32.21 17.04 55.76 33.23 18.41 56.98 32.72 17.72 56.37 2 0 1000.00 -999 ? >THR~A 213 28.77 15.04 53.38 28.88 13.04 54.35 28.83 14.04 53.87 2 0 1000.00 -999 ? >GLU~A 214 23.91 14.82 54.74 22.11 14.35 55.86 23.01 14.58 55.30 2 0 1000.00 -999 ? >THR~A 215 26.92 20.02 52.41 28.91 20.94 52.36 27.92 20.48 52.39 2 0 1000.00 -999 ? >PHE~A 216 28.57 17.62 48.55 31.25 17.35 49.38 29.91 17.48 48.96 3 0 1000.00 -999 ? >GLY~A 217 22.78 19.21 48.26 23.24 19.84 48.53 23.01 19.53 48.40 1 0 1000.00 -999 ? >VAL~A 218 21.91 22.68 49.58 22.30 22.80 51.76 22.10 22.74 50.67 3 0 1000.00 -999 ? >LYS~A 219 24.77 24.13 47.54 30.61 24.32 50.06 27.69 24.23 48.80 2 0 1000.00 -999 ? >ALA~A 220 23.70 22.43 44.32 23.60 20.92 44.04 23.65 21.68 44.18 2 0 1000.00 -999 ? >LEU~A 221 19.25 23.10 46.21 17.09 23.09 46.21 18.17 23.10 46.21 3 0 1000.00 -999 ? >ALA~A 222 20.93 27.09 45.45 21.78 27.68 46.57 21.36 27.38 46.01 2 0 1000.00 -999 ? >ALA~A 223 23.15 27.09 42.33 24.37 26.22 42.15 23.76 26.66 42.24 2 0 1000.00 -999 ? >HIS~A 224 18.43 23.90 39.92 16.97 23.27 38.55 17.70 23.59 39.23 3 0 1000.00 -999 ? >LEU~A 225 17.36 28.56 42.78 15.81 27.51 43.87 16.59 28.04 43.33 3 0 1000.00 -999 ? >GLU~A 226 22.54 32.36 40.29 24.37 32.83 41.26 23.46 32.60 40.78 2 0 1000.00 -999 ? >ALA~A 227 20.80 29.30 36.94 21.30 27.87 36.72 21.05 28.59 36.83 2 0 1000.00 -999 ? >ARG~A 228 14.16 26.81 36.85 11.92 25.90 34.96 13.04 26.36 35.91 2 0 1000.00 -999 ? >PHE~A 229 14.06 31.02 39.21 12.11 29.05 38.87 13.09 30.03 39.04 3 0 1000.00 -999 ? >GLY~A 230 19.01 34.49 38.56 18.59 34.17 39.15 18.80 34.33 38.85 1 0 1000.00 -999 ? >LEU.A 231 17.64 33.67 43.20 15.53 33.92 43.67 16.59 33.79 43.44 3 0 1000.00 -999 ? >PRO.A 232 21.11 37.32 44.58 21.27 35.28 43.70 21.19 36.30 44.14 3 0 1000.00 -999 ? >TRP^A 233 23.63 30.73 44.46 25.92 28.26 46.53 24.77 29.49 45.49 3 0 1000.00 -999 ? >VAL^A 234 25.34 32.57 49.76 25.34 33.77 51.56 25.34 33.17 50.66 3 0 1000.00 -999 ? >PHE^A 235 27.60 27.27 52.13 27.85 25.01 53.79 27.73 26.14 52.96 3 0 1000.00 -999 ? >LEU.A 236 24.68 30.07 56.12 23.73 31.99 55.77 24.21 31.03 55.95 3 0 1000.00 -999 ? >ASP.A 237 30.22 27.86 56.63 31.39 26.14 56.80 30.81 27.00 56.71 2 0 1000.00 -999 ? >HIS.A 238 26.09 25.02 60.79 24.90 23.32 60.47 25.49 24.17 60.63 3 0 1000.00 -999 ? >PRO.A 239 32.60 24.63 60.76 30.56 23.76 60.74 31.58 24.20 60.75 3 0 1000.00 -999 ? >THR.A 240 30.00 20.77 63.78 28.10 19.93 63.19 29.05 20.35 63.48 2 0 1000.00 -999 ? >GLY.A 241 32.90 18.34 63.63 32.11 18.09 63.51 32.51 18.22 63.57 1 0 1000.00 -999 ? >LEU.A 242 29.50 15.30 64.40 29.93 15.27 66.53 29.72 15.29 65.47 3 0 1000.00 -999 ? >MET.B 1 30.40 -23.12 88.97 33.67 -22.91 90.43 32.03 -23.02 89.70 2 0 1000.00 -999 ? >ASP~B 2 26.06 -25.39 88.80 24.37 -25.97 87.65 25.22 -25.68 88.23 2 0 1000.00 -999 ? >ARG~B 3 24.50 -22.97 81.67 23.63 -25.73 80.73 24.07 -24.35 81.20 2 0 1000.00 -999 ? >ASP~B 4 21.32 -24.07 85.46 21.34 -25.00 83.55 21.33 -24.53 84.50 2 0 1000.00 -999 ? >GLU~B 5 23.33 -23.09 91.26 24.59 -24.57 92.13 23.96 -23.83 91.70 2 0 1000.00 -999 ? >LEU~B 6 26.49 -18.96 87.10 28.01 -17.41 86.95 27.25 -18.18 87.02 3 0 1000.00 -999 ? >VAL~B 7 22.42 -17.83 85.43 21.90 -18.33 83.33 22.16 -18.08 84.38 3 0 1000.00 -999 ? >ARG~B 8 17.56 -21.01 88.97 19.52 -23.38 89.31 18.54 -22.19 89.14 2 0 1000.00 -999 ? >TYR~B 9 23.86 -14.85 91.50 24.91 -12.86 93.18 24.38 -13.86 92.34 3 0 1000.00 -999 ? >LEU~B 10 23.45 -13.38 86.21 25.59 -13.28 86.00 24.52 -13.33 86.11 3 0 1000.00 -999 ? >ASP~B 11 18.13 -13.91 85.86 18.76 -14.67 83.98 18.44 -14.29 84.92 2 0 1000.00 -999 ? >ALA~B 12 17.85 -12.10 89.91 17.92 -13.10 91.06 17.88 -12.60 90.48 2 0 1000.00 -999 ? >TYR~B 13 23.26 -9.37 91.35 25.17 -7.52 92.20 24.22 -8.45 91.77 3 0 1000.00 -999 ? >LEU~B 14 21.09 -8.38 86.30 23.21 -8.21 85.93 22.15 -8.30 86.11 3 0 1000.00 -999 ? >ARG~B 15 16.89 -4.85 90.72 18.29 -5.46 93.42 17.59 -5.15 92.07 2 0 1000.00 -999 ? >ILE~B 16 16.75 -10.16 83.97 17.40 -9.90 82.74 17.08 -10.03 83.36 3 0 1000.00 -999 ? >GLN~B 17 12.08 -8.93 87.46 13.87 -9.74 88.33 12.98 -9.33 87.90 2 0 1000.00 -999 ? >ASP~B 18 13.11 -4.28 86.95 12.73 -5.19 88.83 12.92 -4.74 87.89 2 0 1000.00 -999 ? >PHE~B 19 15.72 -3.38 82.96 17.06 -1.83 84.86 16.39 -2.61 83.91 3 0 1000.00 -999 ? >PRO.B 20 9.19 -5.24 81.73 11.11 -5.43 80.59 10.15 -5.33 81.16 3 0 1000.00 -999 ? >GLN.B 21 12.19 -1.40 78.21 12.27 -1.01 80.30 12.23 -1.21 79.26 2 0 1000.00 -999 ? >ASP.B 22 15.74 -4.41 77.56 17.79 -4.17 77.05 16.77 -4.29 77.31 2 0 1000.00 -999 ? >PRO.B 23 16.28 -2.88 72.47 15.08 -4.49 73.49 15.68 -3.69 72.98 3 0 1000.00 -999 ? >SER.B 24 18.17 -6.87 73.90 20.11 -7.33 75.34 19.14 -7.10 74.62 2 0 1000.00 -999 ? >LEU.B 25 17.43 -11.66 73.98 16.55 -13.58 74.44 16.99 -12.62 74.21 3 0 1000.00 -999 ? >ASN.B 26 18.47 -9.24 79.42 18.79 -7.25 78.71 18.63 -8.25 79.06 2 0 1000.00 -999 ? >GLY^B 27 20.26 -13.43 80.05 20.62 -13.23 79.33 20.44 -13.33 79.69 1 0 1000.00 -999 ? >LEU^B 28 21.58 -18.02 79.16 22.97 -19.70 79.08 22.27 -18.86 79.12 3 0 1000.00 -999 ? >GLN^B 29 21.89 -13.43 74.77 22.20 -11.79 73.43 22.04 -12.61 74.10 2 0 1000.00 -999 ? >VAL^B 30 23.87 -19.04 73.91 25.01 -18.95 72.04 24.44 -19.00 72.98 3 0 1000.00 -999 ? >GLU.B 31 23.36 -24.35 77.07 22.00 -25.91 76.67 22.68 -25.13 76.87 2 0 1000.00 -999 ? >GLY.B 32 27.65 -23.56 76.65 27.07 -23.81 77.23 27.36 -23.68 76.94 1 0 1000.00 -999 ? >LYS.B 33 29.22 -26.04 79.06 33.69 -24.90 77.86 31.45 -25.47 78.46 2 0 1000.00 -999 ? >ARG.B 34 25.59 -29.71 84.29 22.77 -28.55 83.76 24.18 -29.13 84.03 2 0 1000.00 -999 ? >THR.B 35 30.68 -26.55 84.60 31.58 -28.15 85.75 31.13 -27.35 85.17 2 0 1000.00 -999 ? >VAL.B 36 31.95 -22.96 84.62 30.74 -21.18 84.21 31.34 -22.07 84.42 3 0 1000.00 -999 ? >ARG.B 37 36.20 -25.33 87.10 38.33 -25.11 89.35 37.26 -25.22 88.23 2 0 1000.00 -999 ? >LYS.B 38 36.59 -19.07 84.29 41.88 -17.70 81.12 39.24 -18.39 82.71 2 0 1000.00 -999 ? >VAL^B 39 34.42 -16.02 83.52 32.85 -15.05 84.72 33.63 -15.54 84.12 3 0 1000.00 -999 ? >GLY^B 40 34.93 -13.58 80.65 34.22 -13.43 81.10 34.58 -13.51 80.87 1 0 1000.00 -999 ? >ALA^B 41 33.95 -9.89 80.40 34.23 -9.07 81.68 34.09 -9.48 81.04 2 0 1000.00 -999 ? >ALA^B 42 33.53 -7.75 77.30 33.84 -8.67 76.09 33.68 -8.21 76.70 2 0 1000.00 -999 ? >VAL^B 43 31.63 -4.78 75.94 32.13 -2.66 75.83 31.88 -3.72 75.88 3 0 1000.00 -999 ? >ASP^B 44 31.01 -5.64 71.32 31.06 -3.55 71.54 31.04 -4.59 71.43 2 0 1000.00 -999 ? >ALA.B 45 29.63 -9.79 71.33 28.21 -10.38 71.41 28.92 -10.08 71.37 2 0 1000.00 -999 ? >GLY~B 46 31.60 -10.40 68.13 31.84 -10.98 68.71 31.72 -10.69 68.42 1 0 1000.00 -999 ? >GLU~B 47 34.99 -14.22 64.52 34.45 -16.14 65.27 34.72 -15.18 64.89 2 0 1000.00 -999 ? >ALA~B 48 37.01 -11.13 67.58 37.38 -9.69 67.27 37.19 -10.41 67.42 2 0 1000.00 -999 ? >ILE~B 49 34.82 -10.25 71.79 34.36 -9.32 72.68 34.59 -9.79 72.24 3 0 1000.00 -999 ? >PHE~B 50 32.21 -14.66 70.29 29.72 -13.51 70.85 30.96 -14.09 70.57 3 0 1000.00 -999 ? >ARG~B 51 38.57 -15.38 65.81 38.34 -15.26 62.75 38.46 -15.32 64.28 2 0 1000.00 -999 ? >LYS~B 52 39.74 -14.26 72.38 42.11 -8.44 72.68 40.93 -11.35 72.53 2 0 1000.00 -999 ? >ALA~B 53 37.39 -15.94 74.84 35.88 -15.86 74.82 36.64 -15.90 74.83 2 0 1000.00 -999 ? >LEU~B 54 38.03 -19.54 71.72 38.06 -21.53 70.91 38.04 -20.53 71.32 3 0 1000.00 -999 ? >GLU~B 55 42.85 -17.70 71.22 44.28 -16.40 70.39 43.56 -17.05 70.81 2 0 1000.00 -999 ? >GLU~B 56 42.90 -15.75 76.97 42.84 -13.73 77.41 42.87 -14.74 77.19 2 0 1000.00 -999 ? >GLU.B 57 41.56 -22.51 78.26 43.18 -23.13 79.51 42.37 -22.82 78.88 2 0 1000.00 -999 ? >VAL.B 58 36.65 -18.60 78.99 36.24 -16.45 78.84 36.44 -17.53 78.92 3 0 1000.00 -999 ? >ASP.B 59 33.62 -21.61 81.33 35.27 -22.88 81.42 34.45 -22.24 81.38 2 0 1000.00 -999 ? >PHE^B 60 29.17 -17.66 82.34 26.51 -16.92 82.69 27.84 -17.29 82.52 3 0 1000.00 -999 ? >LEU^B 61 31.59 -14.84 77.11 32.56 -13.26 76.01 32.08 -14.05 76.56 3 0 1000.00 -999 ? >ILE^B 62 29.50 -11.28 81.41 28.98 -10.99 82.70 29.24 -11.13 82.06 3 0 1000.00 -999 ? >VAL^B 63 28.69 -9.12 77.35 28.58 -9.53 75.22 28.63 -9.33 76.29 3 0 1000.00 -999 ? >HIS^B 64 26.65 -3.28 77.95 25.31 -1.72 78.36 25.98 -2.50 78.16 3 0 1000.00 -999 ? >HIS^B 65 26.59 -3.44 73.09 26.64 -1.43 73.73 26.61 -2.44 73.41 3 0 1000.00 -999 ? >GLY.B 66 24.60 -9.32 72.80 24.51 -8.73 72.29 24.55 -9.03 72.54 1 0 1000.00 -999 ? >LEU.B 67 23.91 -12.47 69.27 25.82 -13.46 69.20 24.86 -12.97 69.23 3 0 1000.00 -999 ? >PHE.B 68 19.55 -13.14 70.20 20.60 -15.65 69.64 20.08 -14.40 69.92 3 0 1000.00 -999 ? >TRP.B 69 20.89 -7.00 68.54 21.55 -4.84 71.78 21.22 -5.92 70.16 3 0 1000.00 -999 ? >GLY.B 70 14.14 -8.96 68.91 14.66 -8.80 68.37 14.40 -8.88 68.64 1 0 1000.00 -999 ? >LYS.B 71 14.52 -9.18 65.13 11.58 -6.63 60.93 13.05 -7.90 63.03 2 0 1000.00 -999 ? >PRO.B 72 13.28 -13.27 64.59 15.23 -12.18 64.41 14.26 -12.73 64.50 3 0 1000.00 -999 ? >PHE.B 73 20.14 -12.55 62.76 21.45 -13.24 65.13 20.80 -12.90 63.94 3 0 1000.00 -999 ? >PRO.B 74 19.50 -14.95 57.61 19.11 -15.57 59.70 19.31 -15.26 58.66 3 0 1000.00 -999 ? >ILE.B 75 22.39 -19.48 61.53 22.29 -19.00 62.91 22.34 -19.24 62.22 3 0 1000.00 -999 ? >VAL~B 76 24.72 -17.37 57.80 23.16 -16.62 56.52 23.94 -16.99 57.16 3 0 1000.00 -999 ? >GLY~B 77 27.99 -15.60 57.15 27.72 -15.97 57.81 27.86 -15.79 57.48 1 0 1000.00 -999 ? >HIS~B 78 28.62 -11.59 60.45 27.10 -10.16 60.71 27.86 -10.87 60.58 3 0 1000.00 -999 ? >HIS~B 79 24.54 -13.36 61.68 23.99 -11.38 61.26 24.26 -12.37 61.47 3 0 1000.00 -999 ? >LYS~B 80 27.09 -18.73 61.86 27.73 -24.02 59.62 27.41 -21.37 60.74 2 0 1000.00 -999 ? >ARG~B 81 33.35 -17.29 59.60 32.61 -14.68 58.17 32.98 -15.99 58.89 2 0 1000.00 -999 ? >ARG~B 82 28.65 -12.97 65.43 28.42 -9.91 65.51 28.54 -11.44 65.47 2 0 1000.00 -999 ? >LEU~B 83 26.59 -19.91 66.52 24.77 -18.92 67.15 25.68 -19.42 66.83 3 0 1000.00 -999 ? >GLU~B 84 30.01 -22.63 63.40 30.85 -23.61 61.73 30.43 -23.12 62.56 2 0 1000.00 -999 ? >THR~B 85 33.19 -20.38 67.80 34.49 -18.72 67.43 33.84 -19.55 67.62 2 0 1000.00 -999 ? >LEU~B 86 29.71 -19.56 71.07 29.49 -17.45 71.55 29.60 -18.51 71.31 3 0 1000.00 -999 ? >PHE~B 87 27.95 -24.17 69.02 25.25 -23.46 68.76 26.60 -23.82 68.89 3 0 1000.00 -999 ? >GLN~B 88 36.05 -24.83 68.63 37.23 -23.83 67.16 36.64 -24.33 67.90 2 0 1000.00 -999 ? >GLY~B 89 34.84 -23.57 73.14 34.08 -23.78 73.02 34.46 -23.67 73.08 1 0 1000.00 -999 ? >GLY.B 90 31.63 -24.61 74.86 32.04 -23.87 74.80 31.83 -24.24 74.83 1 0 1000.00 -999 ? >ILE.B 91 31.94 -19.82 75.05 33.00 -18.87 74.88 32.47 -19.34 74.96 3 0 1000.00 -999 ? >ASN^B 92 27.73 -19.80 79.04 27.59 -21.86 79.65 27.66 -20.83 79.34 2 0 1000.00 -999 ? >LEU^B 93 26.77 -15.85 74.76 27.33 -13.95 73.86 27.05 -14.90 74.31 3 0 1000.00 -999 ? >TYR^B 94 24.48 -13.73 81.32 22.47 -12.67 82.96 23.47 -13.20 82.14 3 0 1000.00 -999 ? >ALA^B 95 24.05 -10.66 77.79 23.53 -10.58 76.37 23.79 -10.62 77.08 2 0 1000.00 -999 ? >ALA.B 96 22.90 -7.77 79.98 23.47 -7.83 81.43 23.19 -7.80 80.71 2 0 1000.00 -999 ? >HIS~B 97 21.19 -3.14 76.29 21.24 -1.38 75.13 21.21 -2.26 75.71 3 0 1000.00 -999 ? >LEU~B 98 18.26 -1.63 80.00 17.65 -0.26 78.40 17.96 -0.95 79.20 3 0 1000.00 -999 ? >PRO~B 99 18.74 -5.71 82.36 19.84 -3.84 82.78 19.29 -4.78 82.57 3 0 1000.00 -999 ? >LEU~B 100 24.69 -4.27 82.60 26.52 -4.99 83.46 25.61 -4.63 83.03 3 0 1000.00 -999 ? >ASP~B 101 22.59 0.85 81.31 23.36 0.75 79.32 22.98 0.80 80.32 2 0 1000.00 -999 ? >ALA~B 102 21.31 0.77 85.44 19.82 0.69 85.28 20.56 0.73 85.36 2 0 1000.00 -999 ? >HIS~B 103 23.17 -3.70 89.25 22.99 -4.81 91.02 23.08 -4.26 90.13 3 0 1000.00 -999 ? >GLU.B 104 22.01 -0.60 93.13 20.34 -1.62 92.25 21.18 -1.11 92.69 2 0 1000.00 -999 ? >GLU.B 105 25.46 -2.96 94.59 24.99 -4.93 95.32 25.22 -3.95 94.95 2 0 1000.00 -999 ? >VAL.B 106 27.94 -2.82 89.20 27.72 -5.00 89.50 27.83 -3.91 89.35 3 0 1000.00 -999 ? >GLY~B 107 26.11 -0.92 86.49 26.80 -0.70 86.86 26.45 -0.81 86.68 1 0 1000.00 -999 ? >ASN~B 108 27.58 1.42 82.51 28.11 -0.22 81.34 27.85 0.60 81.93 2 0 1000.00 -999 ? >ASN~B 109 25.22 5.06 84.89 24.89 4.88 82.77 25.06 4.97 83.83 2 0 1000.00 -999 ? >PHE~B 110 24.74 3.82 90.41 22.40 5.02 91.38 23.57 4.42 90.90 3 0 1000.00 -999 ? >VAL~B 111 30.31 2.75 88.75 31.15 0.73 88.51 30.73 1.74 88.63 3 0 1000.00 -999 ? >LEU~B 112 31.30 5.70 85.01 32.35 7.14 83.80 31.82 6.42 84.40 3 0 1000.00 -999 ? >ALA~B 113 30.00 8.19 88.37 28.52 8.27 88.65 29.26 8.23 88.51 2 0 1000.00 -999 ? >ARG~B 114 30.00 4.26 93.81 27.01 3.78 94.13 28.50 4.02 93.97 2 0 1000.00 -999 ? >GLU~B 115 36.05 4.38 89.62 37.92 4.56 90.70 36.99 4.47 90.16 2 0 1000.00 -999 ? >LEU~B 116 33.37 10.47 87.62 33.67 11.71 85.91 33.52 11.09 86.76 3 0 1000.00 -999 ? >GLY.B 117 33.94 11.64 92.15 33.31 11.49 91.74 33.63 11.56 91.94 1 0 1000.00 -999 ? >LEU.B 118 29.30 12.10 90.78 29.25 13.22 88.95 29.28 12.66 89.87 3 0 1000.00 -999 ? >VAL^B 119 28.13 12.13 95.07 28.43 13.18 96.94 28.28 12.66 96.01 3 0 1000.00 -999 ? >ASP^B 120 24.01 13.46 96.30 24.42 14.30 98.21 24.22 13.88 97.25 2 0 1000.00 -999 ? >LEU^B 121 24.78 8.51 92.78 26.69 8.84 91.86 25.74 8.67 92.32 3 0 1000.00 -999 ? >THR^B 122 20.24 8.79 92.23 19.38 10.62 93.01 19.81 9.70 92.62 2 0 1000.00 -999 ? >PRO^B 123 18.00 5.34 90.84 18.90 7.17 89.93 18.45 6.25 90.39 3 0 1000.00 -999 ? >TRP^B 124 17.79 12.44 86.03 18.06 12.61 82.11 17.92 12.52 84.07 3 0 1000.00 -999 ? >ASP.B 125 16.99 7.81 82.05 16.33 6.81 80.32 16.66 7.31 81.18 2 0 1000.00 -999 ? >VAL.B 126 19.02 4.18 82.90 18.79 3.32 80.92 18.90 3.75 81.91 3 0 1000.00 -999 ? >GLY^B 127 21.90 6.42 83.98 21.21 6.40 84.46 21.55 6.41 84.22 1 0 1000.00 -999 ? >VAL^B 128 22.44 8.43 87.15 24.07 8.06 88.54 23.26 8.24 87.85 3 0 1000.00 -999 ? >LYS^B 129 22.24 11.95 88.58 18.78 17.15 88.07 20.51 14.55 88.33 2 0 1000.00 -999 ? >GLY^B 130 24.47 13.39 91.29 24.51 13.89 90.63 24.49 13.64 90.96 1 0 1000.00 -999 ? >ARG^B 131 25.36 17.83 95.16 22.43 18.62 94.73 23.89 18.22 94.94 2 0 1000.00 -999 ? >PHE^B 132 31.77 17.21 90.74 32.60 15.87 88.42 32.18 16.54 89.58 3 0 1000.00 -999 ? >PRO^B 133 32.06 16.25 96.82 30.93 17.93 95.89 31.50 17.09 96.35 3 0 1000.00 -999 ? >GLN^B 134 34.53 21.54 95.47 34.84 19.42 95.88 34.69 20.48 95.68 2 0 1000.00 -999 ? >PRO^B 135 30.80 25.40 93.01 31.83 23.45 92.59 31.32 24.42 92.80 3 0 1000.00 -999 ? >THR^B 136 34.41 21.80 89.66 34.72 19.74 90.13 34.57 20.77 89.89 2 0 1000.00 -999 ? >PRO^B 137 38.19 22.93 87.67 36.00 22.91 87.22 37.10 22.92 87.45 3 0 1000.00 -999 ? >LEU~B 138 34.01 22.23 82.31 32.49 21.46 80.97 33.25 21.85 81.64 3 0 1000.00 -999 ? >LEU~B 139 39.37 21.86 81.66 41.14 21.49 80.45 40.25 21.67 81.06 3 0 1000.00 -999 ? >GLN~B 140 39.65 18.84 87.78 39.85 20.00 89.56 39.75 19.42 88.67 2 0 1000.00 -999 ? >VAL~B 141 36.29 16.74 84.83 34.15 16.87 85.24 35.22 16.81 85.03 3 0 1000.00 -999 ? >ALA~B 142 37.31 16.20 81.21 37.51 17.28 80.17 37.41 16.74 80.69 2 0 1000.00 -999 ? >ASP~B 143 41.70 16.16 83.21 42.27 17.83 82.03 41.99 17.00 82.62 2 0 1000.00 -999 ? >ARG~B 144 37.70 14.33 88.20 36.82 15.87 90.71 37.26 15.10 89.45 2 0 1000.00 -999 ? >LEU~B 145 36.51 11.88 81.45 34.49 11.85 82.22 35.50 11.86 81.83 3 0 1000.00 -999 ? >GLY~B 146 40.61 11.04 80.16 40.51 10.74 80.93 40.56 10.89 80.54 1 0 1000.00 -999 ? >GLN~B 147 43.82 11.11 84.23 45.59 10.94 83.02 44.71 11.02 83.62 2 0 1000.00 -999 ? >LEU~B 148 38.46 7.12 83.98 37.94 7.24 86.06 38.20 7.18 85.02 3 0 1000.00 -999 ? >THR~B 149 39.64 5.70 79.80 38.02 6.91 79.05 38.83 6.30 79.43 2 0 1000.00 -999 ? >GLY~B 150 43.04 6.60 78.40 42.36 7.00 78.19 42.70 6.80 78.30 1 0 1000.00 -999 ? >MET.B 151 41.47 8.95 75.86 42.30 8.40 72.86 41.89 8.67 74.36 2 0 1000.00 -999 ? >GLN.B 152 42.56 14.44 76.46 41.55 14.81 78.31 42.06 14.62 77.38 2 0 1000.00 -999 ? >PRO.B 153 37.14 13.89 78.00 37.70 13.21 75.97 37.42 13.55 76.99 3 0 1000.00 -999 ? >LEU^B 154 34.31 15.12 72.11 33.76 16.37 70.41 34.03 15.74 71.26 3 0 1000.00 -999 ? >VAL^B 155 33.94 18.66 75.16 34.86 19.41 77.01 34.40 19.04 76.09 3 0 1000.00 -999 ? >HIS^B 156 29.88 19.48 72.04 29.97 18.59 70.14 29.93 19.03 71.09 3 0 1000.00 -999 ? >GLN^B 157 31.84 25.39 77.88 33.60 26.22 78.65 32.72 25.80 78.26 2 0 1000.00 -999 ? >GLY.B 158 27.59 25.45 75.98 27.95 25.40 76.75 27.77 25.42 76.37 1 0 1000.00 -999 ? >GLY.B 159 27.60 26.72 79.54 28.34 26.60 79.29 27.97 26.66 79.41 1 0 1000.00 -999 ? >LEU.B 160 29.37 28.21 83.75 27.97 29.88 83.98 28.67 29.04 83.86 3 0 1000.00 -999 ? >ASP.B 161 34.63 27.77 82.83 34.80 28.78 80.92 34.72 28.27 81.87 2 0 1000.00 -999 ? >HIS^B 162 34.01 26.58 87.80 36.03 27.05 88.06 35.02 26.81 87.93 3 0 1000.00 -999 ? >VAL^B 163 29.86 22.67 86.95 30.46 21.40 85.27 30.16 22.04 86.11 3 0 1000.00 -999 ? >GLU^B 164 27.03 22.63 91.36 27.14 23.62 93.25 27.09 23.12 92.30 2 0 1000.00 -999 ? >THR^B 165 25.22 18.87 89.15 23.46 20.11 89.27 24.34 19.49 89.21 2 0 1000.00 -999 ? >VAL^B 166 25.85 16.05 86.63 27.97 15.66 86.25 26.91 15.85 86.44 3 0 1000.00 -999 ? >ILE^B 167 22.74 13.97 83.63 21.46 13.50 84.26 22.10 13.74 83.95 3 0 1000.00 -999 ? >LEU^B 168 26.75 9.93 84.43 28.45 8.63 84.21 27.60 9.28 84.32 3 0 1000.00 -999 ? >VAL^B 169 24.32 8.11 80.79 22.25 8.30 80.12 23.29 8.20 80.46 3 0 1000.00 -999 ? >SER.B 170 26.96 5.88 79.14 26.70 3.66 80.16 26.83 4.77 79.65 2 0 1000.00 -999 ? >GLY.B 171 26.76 4.66 75.54 26.76 5.45 75.74 26.76 5.05 75.64 1 0 1000.00 -999 ? >SER.B 172 24.74 6.54 72.96 24.34 6.73 70.54 24.54 6.63 71.75 2 0 1000.00 -999 ? >GLY~B 173 22.79 8.75 75.33 23.02 9.10 74.70 22.90 8.92 75.01 1 0 1000.00 -999 ? >THR~B 174 22.10 11.82 73.19 23.41 11.83 71.47 22.75 11.83 72.33 2 0 1000.00 -999 ? >GLY~B 175 18.44 10.82 73.02 18.83 11.16 73.65 18.64 10.99 73.34 1 0 1000.00 -999 ? >LEU~B 176 18.46 11.39 77.80 17.96 9.48 78.59 18.21 10.43 78.19 3 0 1000.00 -999 ? >LEU~B 177 19.97 15.94 74.44 21.83 17.02 74.43 20.90 16.48 74.44 3 0 1000.00 -999 ? >PRO~B 178 15.58 16.42 73.72 16.52 16.85 75.68 16.05 16.63 74.70 3 0 1000.00 -999 ? >LYS~B 179 15.33 15.98 79.39 13.47 10.94 81.52 14.40 13.46 80.45 2 0 1000.00 -999 ? >VAL~B 180 18.79 17.02 80.69 20.86 16.69 80.14 19.82 16.85 80.42 3 0 1000.00 -999 ? >ASP.B 181 17.31 19.54 84.16 17.17 17.97 85.59 17.24 18.76 84.88 2 0 1000.00 -999 ? >ALA.B 182 22.10 19.61 85.12 22.59 18.20 85.47 22.34 18.91 85.29 2 0 1000.00 -999 ? >ASP.B 183 26.21 22.09 85.97 25.23 23.20 87.50 25.72 22.64 86.74 2 0 1000.00 -999 ? >LEU^B 184 28.28 18.54 83.47 29.94 17.51 82.54 29.11 18.02 83.00 3 0 1000.00 -999 ? >PHE^B 185 24.29 14.66 79.30 23.13 12.35 78.19 23.71 13.50 78.74 3 0 1000.00 -999 ? >VAL^B 186 28.48 12.93 80.29 30.25 12.59 81.48 29.37 12.76 80.89 3 0 1000.00 -999 ? >THR^B 187 27.79 10.35 77.62 26.34 10.51 76.02 27.06 10.43 76.82 2 0 1000.00 -999 ? >GLY.B 188 29.51 8.10 75.09 29.11 8.72 74.83 29.31 8.41 74.96 1 0 1000.00 -999 ? >GLU.B 189 29.36 6.95 69.74 28.48 5.52 68.45 28.92 6.23 69.10 2 0 1000.00 -999 ? >PRO.B 190 30.29 12.29 69.15 28.49 11.71 70.30 29.39 12.00 69.72 3 0 1000.00 -999 ? >LYS~B 191 25.57 13.06 67.46 22.21 11.36 65.58 23.89 12.21 66.52 2 0 1000.00 -999 ? >HIS~B 192 25.60 16.57 62.41 25.28 18.30 61.28 25.44 17.44 61.85 3 0 1000.00 -999 ? >SER~B 193 22.01 16.24 65.11 21.11 14.06 65.66 21.56 15.15 65.39 2 0 1000.00 -999 ? >VAL~B 194 22.03 17.43 68.76 22.13 15.61 70.02 22.08 16.52 69.39 3 0 1000.00 -999 ? >PHE~B 195 26.98 20.77 67.03 29.07 22.63 67.20 28.03 21.70 67.11 3 0 1000.00 -999 ? >HIS~B 196 23.19 23.72 65.49 24.58 24.13 63.97 23.89 23.92 64.73 3 0 1000.00 -999 ? >GLU~B 197 19.13 20.70 72.07 17.55 19.27 72.10 18.34 19.98 72.08 2 0 1000.00 -999 ? >THR~B 198 23.51 21.57 72.99 25.11 20.14 73.17 24.31 20.85 73.08 2 0 1000.00 -999 ? >PHE~B 199 27.07 24.72 71.47 29.42 23.20 71.36 28.24 23.96 71.41 3 0 1000.00 -999 ? >GLU~B 200 21.06 27.17 69.66 19.57 26.98 68.15 20.31 27.07 68.91 2 0 1000.00 -999 ? >ARG~B 201 18.18 22.30 75.25 18.02 20.35 77.62 18.10 21.32 76.43 2 0 1000.00 -999 ? >GLY.B 202 23.67 26.34 77.13 23.36 25.59 77.05 23.52 25.96 77.09 1 0 1000.00 -999 ? >LEU.B 203 23.58 21.52 77.51 21.63 20.83 78.08 22.61 21.17 77.79 3 0 1000.00 -999 ? >ASN^B 204 28.55 21.67 80.29 29.28 23.63 80.38 28.92 22.65 80.34 2 0 1000.00 -999 ? >VAL^B 205 28.30 17.91 77.47 26.73 17.07 76.25 27.52 17.49 76.86 3 0 1000.00 -999 ? >ILE^B 206 32.16 15.44 78.77 33.40 15.72 79.50 32.78 15.58 79.13 3 0 1000.00 -999 ? >TYR^B 207 29.88 13.51 73.33 27.51 14.96 72.85 28.69 14.24 73.09 3 0 1000.00 -999 ? >ALA.B 208 33.85 9.89 76.27 34.00 9.65 77.76 33.93 9.77 77.02 2 0 1000.00 -999 ? >GLY~B 209 33.28 7.15 73.67 32.73 7.26 74.27 33.00 7.21 73.97 1 0 1000.00 -999 ? >HIS~B 210 28.64 3.19 72.52 26.93 2.00 72.73 27.78 2.60 72.62 3 0 1000.00 -999 ? >TYR~B 211 34.99 0.13 73.51 36.50 -2.01 74.52 35.75 -0.94 74.02 3 0 1000.00 -999 ? >ASP~B 212 36.04 4.74 76.46 37.75 4.20 75.35 36.90 4.47 75.90 2 0 1000.00 -999 ? >THR~B 213 32.09 4.41 78.88 30.95 6.07 77.99 31.52 5.24 78.44 2 0 1000.00 -999 ? >GLU~B 214 28.64 1.69 77.06 26.56 1.14 76.77 27.60 1.41 76.91 2 0 1000.00 -999 ? >THR~B 215 33.56 -1.11 80.01 35.36 -0.11 79.28 34.46 -0.61 79.64 2 0 1000.00 -999 ? >PHE~B 216 33.57 2.04 83.83 35.54 3.88 83.07 34.55 2.96 83.45 3 0 1000.00 -999 ? >GLY~B 217 29.75 -2.47 84.19 30.44 -2.72 83.87 30.10 -2.60 84.03 1 0 1000.00 -999 ? >VAL~B 218 30.92 -5.64 82.57 31.75 -6.30 80.68 31.34 -5.97 81.62 3 0 1000.00 -999 ? >LYS~B 219 34.15 -5.41 84.63 39.15 -2.35 82.57 36.65 -3.88 83.60 2 0 1000.00 -999 ? >ALA~B 220 32.42 -4.60 87.91 31.53 -3.38 88.18 31.98 -3.99 88.04 2 0 1000.00 -999 ? >LEU~B 221 29.07 -7.69 86.28 27.20 -8.79 86.40 28.13 -8.24 86.34 3 0 1000.00 -999 ? >ALA~B 222 32.87 -10.11 86.71 33.92 -10.09 85.61 33.40 -10.10 86.16 2 0 1000.00 -999 ? >ALA~B 223 34.81 -8.74 89.70 35.23 -7.29 89.89 35.02 -8.01 89.80 2 0 1000.00 -999 ? >HIS~B 224 29.24 -8.91 92.42 27.72 -9.65 93.66 28.48 -9.28 93.04 3 0 1000.00 -999 ? >LEU~B 225 31.05 -13.30 89.22 29.06 -13.39 88.39 30.05 -13.34 88.81 3 0 1000.00 -999 ? >GLU~B 226 37.38 -13.17 91.87 39.07 -12.93 90.59 38.23 -13.05 91.23 2 0 1000.00 -999 ? >ALA~B 227 34.12 -11.98 95.13 33.75 -10.52 95.41 33.93 -11.25 95.27 2 0 1000.00 -999 ? >ARG~B 228 28.19 -14.17 96.57 27.02 -16.89 97.29 27.61 -15.53 96.93 2 0 1000.00 -999 ? >PHE~B 229 29.52 -17.45 92.96 26.78 -16.92 93.27 28.15 -17.19 93.12 3 0 1000.00 -999 ? >GLY~B 230 35.64 -17.26 93.54 35.14 -17.19 92.93 35.39 -17.23 93.23 1 0 1000.00 -999 ? >LEU.B 231 34.16 -17.23 88.89 32.52 -18.56 88.46 33.34 -17.90 88.68 3 0 1000.00 -999 ? >PRO.B 232 39.55 -18.13 88.62 38.05 -16.53 88.31 38.80 -17.33 88.46 3 0 1000.00 -999 ? >TRP^B 233 37.29 -11.60 87.52 37.56 -8.17 85.61 37.43 -9.88 86.57 3 0 1000.00 -999 ? >VAL^B 234 39.59 -11.86 82.31 40.29 -13.65 81.28 39.94 -12.75 81.80 3 0 1000.00 -999 ? >PHE^B 235 38.39 -6.24 80.09 37.14 -4.26 78.56 37.77 -5.25 79.32 3 0 1000.00 -999 ? >LEU.B 236 37.68 -10.42 76.04 37.95 -12.45 76.75 37.81 -11.43 76.40 3 0 1000.00 -999 ? >ASP.B 237 40.67 -5.14 75.93 40.69 -3.13 75.37 40.68 -4.14 75.65 2 0 1000.00 -999 ? >HIS.B 238 38.20 -5.78 69.55 38.66 -5.78 67.50 38.43 -5.78 68.52 3 0 1000.00 -999 ? >PRO.B 239 40.98 -1.25 71.89 38.82 -1.73 71.77 39.90 -1.49 71.83 3 0 1000.00 -999 ? >THR.B 240 36.42 0.28 68.90 34.34 0.00 68.50 35.38 0.14 68.70 2 0 1000.00 -999 ? >GLY.B 241 37.60 3.89 68.88 36.81 3.65 69.01 37.20 3.77 68.95 1 0 1000.00 -999 ? >LEU.B 242 33.11 4.39 67.89 33.36 4.90 65.80 33.24 4.65 66.85 3 0 1000.00 -999 ?