REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 02-JAN-07 2OEZ COMPND UPF0289 PROTEIN VP2528; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: RESIDUES 2-245; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; SOURCE 3 ORGANISM_TAXID: 223926; SOURCE 4 STRAIN: RIMD 2210633; SOURCE 5 GENE: VP2528; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR Y.KIM,L.VOLKART,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET MSE A 49 8 HET MSE A 102 8 HET MSE A 206 8 HET MSE A 213 16 HET MSE A 226 8 HET MSE B 49 8 HET MSE B 102 8 HET MSE B 206 8 HET MSE B 213 16 HET MSE B 226 8 >ALA.A 1 35.69 26.65 35.09 35.04 25.33 35.50 35.36 25.99 35.29 2 0 1000.00 -999 ? >THR.A 2 34.67 28.47 31.88 32.46 28.41 31.78 33.56 28.44 31.83 2 0 1000.00 -999 ? >THR^A 3 35.83 32.11 32.23 33.90 33.16 32.37 34.87 32.63 32.30 2 0 1000.00 -999 ? >HIS^A 4 40.78 32.66 32.91 41.61 30.85 32.21 41.19 31.76 32.56 3 0 1000.00 -999 ? >LYS^A 5 37.58 36.99 35.78 33.59 33.49 36.63 35.59 35.24 36.21 2 0 1000.00 -999 ? >PHE^A 6 42.21 40.69 35.02 44.51 42.11 35.69 43.36 41.40 35.36 3 0 1000.00 -999 ? >GLU^A 7 37.94 43.15 39.19 37.10 43.71 41.03 37.52 43.43 40.11 2 0 1000.00 -999 ? >HIS^A 8 43.38 47.49 34.83 44.99 48.80 34.50 44.18 48.14 34.67 3 0 1000.00 -999 ? >PRO^A 9 44.32 48.74 39.55 42.35 48.93 38.40 43.33 48.83 38.97 3 0 1000.00 -999 ? >LEU.A 10 41.03 53.03 35.56 40.01 52.09 33.89 40.52 52.56 34.73 3 0 1000.00 -999 ? >ASN~A 11 42.99 56.26 38.88 41.18 55.72 39.87 42.09 55.99 39.37 2 0 1000.00 -999 ? >GLU~A 12 48.21 56.94 41.06 49.83 58.02 41.91 49.02 57.48 41.48 2 0 1000.00 -999 ? >LYS~A 13 43.65 55.52 44.31 38.08 57.19 43.48 40.87 56.36 43.90 2 0 1000.00 -999 ? >THR~A 14 41.69 52.52 43.09 40.03 52.30 41.72 40.86 52.41 42.40 2 0 1000.00 -999 ? >ARG~A 15 48.11 49.85 42.13 51.04 49.10 41.71 49.58 49.48 41.92 2 0 1000.00 -999 ? >ILE~A 16 45.39 52.60 47.32 46.58 52.50 48.01 45.99 52.55 47.66 3 0 1000.00 -999 ? >TYR~A 17 39.96 52.20 46.89 39.11 54.77 47.54 39.53 53.49 47.22 3 0 1000.00 -999 ? >LEU~A 18 42.21 46.61 44.11 40.49 46.59 42.73 41.35 46.60 43.42 3 0 1000.00 -999 ? >ARG~A 19 48.52 48.27 46.03 50.74 49.47 47.84 49.63 48.87 46.93 2 0 1000.00 -999 ? >VAL~A 20 43.80 47.07 50.81 43.67 48.97 52.05 43.73 48.02 51.43 3 0 1000.00 -999 ? >GLU~A 21 38.82 43.74 48.67 37.77 43.66 46.83 38.29 43.70 47.75 2 0 1000.00 -999 ? >SER~A 22 43.13 42.00 49.39 45.09 41.13 48.28 44.11 41.56 48.84 2 0 1000.00 -999 ? >LEU~A 23 46.17 43.74 52.90 48.07 44.06 51.91 47.12 43.90 52.41 3 0 1000.00 -999 ? >LEU~A 24 40.95 43.87 54.58 40.57 45.79 55.52 40.76 44.83 55.05 3 0 1000.00 -999 ? >ARG~A 25 39.63 37.66 50.33 39.02 34.67 49.87 39.33 36.16 50.10 2 0 1000.00 -999 ? >GLN~A 26 46.72 37.72 53.56 48.39 38.47 52.48 47.56 38.10 53.02 2 0 1000.00 -999 ? >ALA~A 27 44.66 39.06 57.55 44.92 40.49 58.05 44.79 39.77 57.80 2 0 1000.00 -999 ? >HIS~A 28 38.61 37.91 58.20 36.95 36.77 58.78 37.78 37.34 58.49 3 0 1000.00 -999 ? >LEU~A 29 41.64 34.27 55.33 40.06 33.61 53.94 40.85 33.94 54.64 3 0 1000.00 -999 ? >ALA~A 30 44.91 34.08 58.45 46.12 34.87 57.94 45.51 34.47 58.19 2 0 1000.00 -999 ? >SER~A 31 43.62 35.15 61.94 41.61 36.51 62.06 42.61 35.83 62.00 2 0 1000.00 -999 ? >GLY.A 32 42.44 31.74 63.16 43.21 31.94 62.95 42.83 31.84 63.06 1 0 1000.00 -999 ? >PHE.A 33 46.96 32.56 64.40 47.16 35.34 64.29 47.06 33.95 64.35 3 0 1000.00 -999 ? >ALA.A 34 44.57 27.23 61.97 43.41 27.13 60.96 43.99 27.18 61.47 2 0 1000.00 -999 ? >ASP.A 35 47.80 25.99 58.74 46.02 25.10 57.94 46.91 25.54 58.34 2 0 1000.00 -999 ? >ASN.A 36 52.50 25.52 61.27 51.75 23.55 61.54 52.12 24.53 61.40 2 0 1000.00 -999 ? >HIS~A 37 53.91 27.62 57.37 55.77 26.68 57.66 54.84 27.15 57.51 3 0 1000.00 -999 ? >GLN~A 38 46.54 30.96 57.96 44.88 29.73 58.53 45.71 30.35 58.24 2 0 1000.00 -999 ? >TYR~A 39 52.86 32.91 61.94 55.46 32.03 61.37 54.16 32.47 61.66 3 0 1000.00 -999 ? >GLN~A 40 54.98 34.06 56.65 56.65 33.03 57.41 55.82 33.54 57.03 2 0 1000.00 -999 ? >LEU~A 41 49.03 34.93 55.44 49.38 33.76 53.59 49.21 34.34 54.52 3 0 1000.00 -999 ? >PHE~A 42 47.67 37.90 61.20 46.67 39.88 62.90 47.17 38.89 62.05 3 0 1000.00 -999 ? >PHE~A 43 52.43 38.84 62.22 51.62 38.17 64.84 52.03 38.50 63.53 3 0 1000.00 -999 ? >ARG~A 44 54.96 39.25 54.15 56.46 36.61 54.52 55.71 37.93 54.33 2 0 1000.00 -999 ? >ALA~A 45 49.15 41.71 55.63 47.83 40.93 55.73 48.49 41.32 55.68 2 0 1000.00 -999 ? >LEU~A 46 49.41 43.34 60.17 47.91 43.24 61.76 48.66 43.29 60.97 3 0 1000.00 -999 ? >PHE~A 47 54.19 44.28 59.70 54.61 43.71 62.41 54.40 43.99 61.05 3 0 1000.00 -999 ? >ASP~A 48 51.42 44.86 53.24 53.02 43.61 52.68 52.22 44.24 52.96 2 0 1000.00 -999 ? >MET?A 49 48.74 47.88 55.26 44.94 46.01 55.84 46.84 46.95 55.55 2 0 1000.00 -999 ? >VAL~A 50 50.69 50.08 57.69 51.46 49.85 59.73 51.07 49.97 58.71 3 0 1000.00 -999 ? >GLU~A 51 54.67 49.85 52.81 55.79 48.19 52.00 55.23 49.02 52.41 2 0 1000.00 -999 ? >ILE~A 52 48.92 51.14 52.31 48.08 50.51 51.35 48.50 50.82 51.83 3 0 1000.00 -999 ? >PHE~A 53 47.15 52.72 56.91 45.40 50.55 56.85 46.27 51.63 56.88 3 0 1000.00 -999 ? >GLU~A 54 53.30 55.28 57.53 54.95 53.98 58.04 54.13 54.63 57.79 2 0 1000.00 -999 ? >GLN~A 55 53.82 56.03 50.85 55.15 57.61 51.41 54.49 56.82 51.13 2 0 1000.00 -999 ? >ILE~A 56 47.68 57.05 49.95 46.82 56.43 49.18 47.25 56.74 49.56 3 0 1000.00 -999 ? >GLN~A 57 46.04 62.33 53.24 45.39 64.37 53.11 45.72 63.35 53.18 2 0 1000.00 -999 ? >LEU~A 58 43.41 55.62 52.98 42.81 53.83 51.93 43.11 54.73 52.46 3 0 1000.00 -999 ? >LYS~A 59 40.44 58.12 54.99 38.72 60.28 60.74 39.58 59.20 57.87 2 0 1000.00 -999 ? >SER~A 60 39.69 61.41 53.17 41.19 62.99 52.08 40.44 62.20 52.62 2 0 1000.00 -999 ? >GLU~A 61 41.94 59.42 48.28 41.12 60.92 47.01 41.53 60.17 47.65 2 0 1000.00 -999 ? >LEU~A 62 37.64 56.02 51.87 37.40 53.90 51.71 37.52 54.96 51.79 3 0 1000.00 -999 ? >ALA~A 63 35.02 59.69 52.64 35.42 60.71 53.72 35.22 60.20 53.18 2 0 1000.00 -999 ? >LYS~A 64 34.87 61.73 49.39 38.58 63.44 44.96 36.73 62.58 47.18 2 0 1000.00 -999 ? >ASP~A 65 35.13 57.40 47.20 36.38 57.65 45.53 35.76 57.52 46.37 2 0 1000.00 -999 ? >LEU~A 66 31.41 57.04 51.10 31.85 55.00 51.76 31.63 56.02 51.43 3 0 1000.00 -999 ? >GLU~A 67 30.82 62.53 51.14 32.20 64.14 51.55 31.51 63.34 51.34 2 0 1000.00 -999 ? >LYS~A 68 29.97 60.57 45.53 31.82 61.45 40.48 30.89 61.01 43.01 2 0 1000.00 -999 ? >GLN~A 69 29.68 55.43 45.55 30.56 53.59 46.23 30.12 54.51 45.89 2 0 1000.00 -999 ? >ARG~A 70 25.25 60.78 51.78 27.27 63.11 52.26 26.26 61.94 52.02 2 0 1000.00 -999 ? >LEU~A 71 25.71 62.63 45.31 25.10 64.44 44.20 25.40 63.54 44.75 3 0 1000.00 -999 ? >SER~A 72 24.04 59.04 43.03 25.33 57.04 43.11 24.69 58.04 43.07 2 0 1000.00 -999 ? >TYR~A 73 22.45 54.94 45.79 23.59 52.60 44.77 23.02 53.77 45.28 3 0 1000.00 -999 ? >ARG~A 74 20.87 63.64 48.78 18.40 65.43 49.06 19.63 64.54 48.92 2 0 1000.00 -999 ? >HIS~A 75 20.83 62.49 41.79 22.26 64.03 41.69 21.54 63.26 41.74 3 0 1000.00 -999 ? >TRP.A 76 18.92 56.85 41.62 16.72 56.80 38.35 17.82 56.83 39.98 3 0 1000.00 -999 ? >LEU.A 77 15.20 60.70 47.49 16.37 59.78 49.13 15.79 60.24 48.31 3 0 1000.00 -999 ? >ASN.A 78 10.60 61.39 46.45 10.80 61.62 48.55 10.70 61.50 47.50 2 0 1000.00 -999 ? >VAL.A 79 10.98 58.68 42.45 12.54 58.96 40.92 11.76 58.82 41.69 3 0 1000.00 -999 ? >GLU.A 80 5.70 56.19 40.22 3.75 57.01 40.12 4.72 56.60 40.17 2 0 1000.00 -999 ? >GLY.A 81 9.20 53.23 40.45 9.57 53.51 41.17 9.38 53.37 40.81 1 0 1000.00 -999 ? >VAL.A 82 12.07 52.94 42.88 13.96 53.99 42.56 13.01 53.47 42.72 3 0 1000.00 -999 ? >ASP~A 83 12.09 49.51 46.27 11.93 48.83 48.30 12.01 49.17 47.29 2 0 1000.00 -999 ? >GLN~A 84 10.51 55.64 47.80 12.20 56.62 46.95 11.35 56.13 47.37 2 0 1000.00 -999 ? >GLU~A 85 10.13 50.67 52.19 8.90 49.16 53.06 9.51 49.92 52.62 2 0 1000.00 -999 ? >ALA~A 86 15.49 49.59 49.90 15.41 48.83 48.58 15.45 49.21 49.24 2 0 1000.00 -999 ? >LEU~A 87 16.19 53.97 48.00 17.14 55.60 46.89 16.67 54.79 47.45 3 0 1000.00 -999 ? >ASN~A 88 15.29 54.84 53.08 14.57 56.69 52.42 14.93 55.77 52.75 2 0 1000.00 -999 ? >SER~A 89 18.16 51.36 53.92 18.44 48.91 54.14 18.30 50.13 54.03 2 0 1000.00 -999 ? >LEU~A 90 21.09 51.53 50.12 23.09 51.49 49.23 22.09 51.51 49.67 3 0 1000.00 -999 ? >LEU~A 91 20.36 56.60 51.99 20.18 57.75 50.07 20.27 57.17 51.03 3 0 1000.00 -999 ? >ASN~A 92 20.22 54.09 56.82 18.62 55.45 57.12 19.42 54.77 56.97 2 0 1000.00 -999 ? >GLU~A 93 25.36 49.95 54.94 25.24 48.13 53.85 25.30 49.04 54.40 2 0 1000.00 -999 ? >ILE~A 94 25.98 55.58 52.45 26.17 56.02 51.13 26.08 55.80 51.79 3 0 1000.00 -999 ? >ASP~A 95 24.71 58.42 56.92 23.19 57.37 57.90 23.95 57.90 57.41 2 0 1000.00 -999 ? >VAL~A 96 26.64 54.95 59.25 25.64 53.34 60.42 26.14 54.14 59.84 3 0 1000.00 -999 ? >VAL~A 97 29.88 53.78 57.51 30.37 52.15 56.09 30.13 52.97 56.80 3 0 1000.00 -999 ? >HIS~A 98 30.58 59.62 55.39 31.33 61.57 55.15 30.95 60.60 55.27 3 0 1000.00 -999 ? >SER~A 99 30.16 58.63 60.19 28.83 59.12 62.15 29.49 58.87 61.17 2 0 1000.00 -999 ? >GLN~A 100 31.56 53.38 62.14 32.54 51.48 61.84 32.05 52.43 61.99 2 0 1000.00 -999 ? >LEU~A 101 34.76 56.79 57.56 36.25 56.34 56.07 35.51 56.57 56.82 3 0 1000.00 -999 ? >MET?A 102 34.93 60.39 60.18 35.04 62.26 57.31 34.98 61.32 58.75 2 0 1000.00 -999 ? >GLY~A 103 35.26 59.76 63.95 35.58 59.27 63.41 35.42 59.51 63.68 1 0 1000.00 -999 ? >ALA~A 104 37.90 57.05 63.43 38.04 56.23 62.17 37.97 56.64 62.80 2 0 1000.00 -999 ? >GLU.A 105 41.42 56.99 67.34 41.73 58.92 68.20 41.58 57.96 67.77 2 0 1000.00 -999 ? >ARG.A 106 47.63 59.14 61.16 46.21 60.44 58.76 46.92 59.79 59.96 2 0 1000.00 -999 ? >PHE.A 107 43.04 54.71 58.04 40.49 54.96 56.90 41.77 54.83 57.47 3 0 1000.00 -999 ? >GLY~A 108 47.15 52.18 61.50 46.88 52.79 61.92 47.01 52.49 61.71 1 0 1000.00 -999 ? >GLN~A 109 47.63 56.30 66.15 47.10 58.37 66.10 47.37 57.34 66.13 2 0 1000.00 -999 ? >ALA~A 110 46.88 51.62 67.18 45.48 51.08 67.48 46.18 51.35 67.33 2 0 1000.00 -999 ? >LEU~A 111 48.88 48.79 63.63 47.35 47.33 62.94 48.11 48.06 63.28 3 0 1000.00 -999 ? >LYS~A 112 52.09 51.62 65.14 54.58 55.52 61.88 53.34 53.57 63.51 2 0 1000.00 -999 ? >GLU~A 113 50.64 54.43 69.03 48.97 55.70 69.36 49.81 55.06 69.20 2 0 1000.00 -999 ? >ASP~A 114 50.84 47.33 68.97 50.88 45.51 69.95 50.86 46.42 69.46 2 0 1000.00 -999 ? >ARG~A 115 57.73 48.05 73.77 58.05 45.02 74.04 57.89 46.54 73.90 2 0 1000.00 -999 ? >PHE~A 116 54.33 41.62 69.76 54.68 39.20 68.38 54.50 40.41 69.07 3 0 1000.00 -999 ? >LEU~A 117 52.83 45.45 66.03 51.10 44.16 65.57 51.97 44.81 65.80 3 0 1000.00 -999 ? >SER~A 118 56.74 47.72 66.11 55.68 49.28 67.58 56.21 48.50 66.84 2 0 1000.00 -999 ? >SER~A 119 59.45 45.66 67.75 58.62 43.81 69.22 59.04 44.74 68.49 2 0 1000.00 -999 ? >ILE~A 120 58.29 41.77 65.20 57.30 40.91 65.67 57.79 41.34 65.43 3 0 1000.00 -999 ? >ARG~A 121 56.28 48.78 60.98 55.85 51.27 59.17 56.07 50.02 60.08 2 0 1000.00 -999 ? >GLN~A 122 63.66 47.31 60.78 64.92 48.62 61.88 64.29 47.96 61.33 2 0 1000.00 -999 ? >ARG~A 123 65.33 42.36 63.91 63.89 42.02 66.63 64.61 42.19 65.27 2 0 1000.00 -999 ? >PHE~A 124 57.38 40.01 59.93 55.71 37.92 59.08 56.55 38.96 59.51 3 0 1000.00 -999 ? >ASN~A 125 59.56 44.54 56.66 57.47 44.83 56.97 58.51 44.69 56.82 2 0 1000.00 -999 ? >LEU~A 126 64.85 42.11 56.59 66.20 43.52 57.64 65.52 42.81 57.12 3 0 1000.00 -999 ? >CYH~A 131 61.13 31.39 60.41 63.40 29.48 60.68 62.27 30.44 60.55 2 0 1000.00 -999 ? >CYH~A 132 61.66 32.86 63.82 58.96 33.30 63.58 60.31 33.08 63.70 2 0 1000.00 -999 ? >PHE~A 133 66.63 31.21 63.28 67.48 31.46 60.62 67.05 31.33 61.95 3 0 1000.00 -999 ? >ASP~A 134 66.34 36.43 63.12 68.10 35.51 62.36 67.22 35.97 62.74 2 0 1000.00 -999 ? >LEU~A 135 61.37 37.25 65.03 61.14 39.28 64.26 61.25 38.26 64.65 3 0 1000.00 -999 ? >PRO~A 136 64.79 35.95 69.51 62.68 35.53 68.81 63.73 35.74 69.16 3 0 1000.00 -999 ? >ALA~A 137 59.64 37.42 70.55 59.68 38.91 70.68 59.66 38.16 70.62 2 0 1000.00 -999 ? >LEU~A 138 57.60 36.62 66.14 56.05 36.55 64.61 56.83 36.59 65.37 3 0 1000.00 -999 ? >HIS~A 139 59.84 30.70 68.14 59.92 28.61 68.01 59.88 29.66 68.08 3 0 1000.00 -999 ? >TYR~A 140 57.21 34.22 74.26 55.88 34.29 76.74 56.54 34.25 75.50 3 0 1000.00 -999 ? >TRP~A 141 51.78 37.40 70.63 49.93 36.08 67.45 50.86 36.74 69.04 3 0 1000.00 -999 ? >LEU~A 142 54.19 31.38 67.27 54.12 32.14 65.32 54.16 31.76 66.30 3 0 1000.00 -999 ? >HIS~A 143 55.90 28.32 71.61 57.04 26.84 70.65 56.47 27.58 71.13 3 0 1000.00 -999 ? >LEU.A 144 50.64 32.87 73.40 51.48 34.51 74.60 51.06 33.69 74.00 3 0 1000.00 -999 ? >PRO~A 145 47.73 30.22 76.14 48.11 30.09 73.95 47.92 30.15 75.04 3 0 1000.00 -999 ? >ILE~A 146 44.91 28.51 69.89 44.62 28.44 69.12 44.76 28.48 69.51 3 0 1000.00 -999 ? >GLU~A 147 40.77 30.27 72.88 39.66 30.56 71.07 40.21 30.42 71.97 2 0 1000.00 -999 ? >ARG~A 148 46.99 36.66 74.84 49.61 38.09 75.50 48.30 37.37 75.17 2 0 1000.00 -999 ? >LYS~A 149 46.76 34.59 69.71 49.54 29.54 68.23 48.15 32.06 68.97 2 0 1000.00 -999 ? >LYS~A 150 43.22 34.93 68.33 41.37 30.15 65.92 42.29 32.54 67.12 2 0 1000.00 -999 ? >HIS~A 151 42.27 38.85 73.06 42.07 40.76 73.89 42.17 39.80 73.47 3 0 1000.00 -999 ? >ASP~A 152 46.93 39.26 70.16 47.60 39.31 72.16 47.26 39.29 71.16 2 0 1000.00 -999 ? >ALA~A 153 44.87 39.31 66.17 44.92 37.98 65.45 44.89 38.65 65.81 2 0 1000.00 -999 ? >ASN~A 154 40.16 39.52 67.37 39.74 37.69 66.26 39.95 38.60 66.81 2 0 1000.00 -999 ? >GLN~A 155 42.47 43.22 71.26 40.96 44.63 71.64 41.72 43.92 71.45 2 0 1000.00 -999 ? >TRP~A 156 47.36 44.54 67.51 49.41 41.16 67.68 48.38 42.85 67.60 3 0 1000.00 -999 ? >GLN~A 157 42.41 41.95 62.04 41.83 39.99 61.60 42.12 40.97 61.82 2 0 1000.00 -999 ? >LYS~A 158 39.23 45.94 65.15 42.28 48.14 68.60 40.76 47.04 66.87 2 0 1000.00 -999 ? >SER~A 159 41.45 49.03 64.75 43.79 48.36 64.37 42.62 48.70 64.56 2 0 1000.00 -999 ? >LEU~A 160 41.68 47.64 60.12 43.76 47.59 59.90 42.72 47.62 60.01 3 0 1000.00 -999 ? >LYS~A 161 37.13 48.30 61.22 31.91 48.07 62.68 34.52 48.18 61.95 2 0 1000.00 -999 ? >PRO~A 162 36.99 52.61 62.21 36.51 51.29 60.46 36.75 51.95 61.33 3 0 1000.00 -999 ? >LEU~A 163 40.00 51.17 57.02 41.28 50.80 55.23 40.64 50.98 56.12 3 0 1000.00 -999 ? >SER~A 164 37.12 47.85 56.36 36.53 45.58 56.62 36.83 46.71 56.49 2 0 1000.00 -999 ? >ASP~A 165 32.73 49.42 57.90 32.46 47.95 59.43 32.59 48.69 58.67 2 0 1000.00 -999 ? >ALA~A 166 33.93 51.89 54.30 34.69 53.22 54.67 34.31 52.56 54.48 2 0 1000.00 -999 ? >LEU~A 167 37.42 49.63 51.96 38.89 49.38 50.37 38.15 49.50 51.17 3 0 1000.00 -999 ? >THR~A 168 33.82 47.06 51.64 33.60 45.30 52.83 33.71 46.18 52.23 2 0 1000.00 -999 ? >LEU~A 169 30.17 50.25 52.03 28.04 50.74 51.92 29.10 50.50 51.97 3 0 1000.00 -999 ? >TRP~A 170 33.20 54.34 47.02 35.53 52.80 44.23 34.36 53.57 45.63 3 0 1000.00 -999 ? >LEU~A 171 34.67 47.48 46.91 36.83 47.71 46.49 35.75 47.59 46.70 3 0 1000.00 -999 ? >LYS~A 172 30.27 46.69 46.63 25.72 45.70 50.49 28.00 46.20 48.56 2 0 1000.00 -999 ? >LEU~A 173 28.11 51.04 46.11 26.54 51.13 47.65 27.33 51.09 46.88 3 0 1000.00 -999 ? >ALA~A 174 31.12 50.40 42.64 32.64 50.62 42.88 31.88 50.51 42.76 2 0 1000.00 -999 ? >ARG~A 175 33.42 44.31 43.00 36.02 44.22 44.67 34.72 44.26 43.84 2 0 1000.00 -999 ? >GLU~A 176 25.49 45.99 43.06 25.12 45.77 45.18 25.30 45.88 44.12 2 0 1000.00 -999 ? >THR~A 177 27.39 49.94 38.65 28.52 51.64 39.44 27.96 50.79 39.05 2 0 1000.00 -999 ? >GLY.A 178 29.23 47.78 36.17 28.46 47.57 36.45 28.84 47.68 36.31 1 0 1000.00 -999 ? >HIS.A 179 24.97 46.92 34.30 23.77 47.19 36.01 24.37 47.05 35.16 3 0 1000.00 -999 ? >PHE.A 180 30.17 41.75 33.08 32.15 41.57 35.13 31.16 41.66 34.10 3 0 1000.00 -999 ? >LYS^A 181 28.85 43.89 27.73 26.69 48.54 29.27 27.77 46.21 28.50 2 0 1000.00 -999 ? >ALA^A 182 30.14 41.69 24.84 29.21 40.90 23.88 29.68 41.30 24.36 2 0 1000.00 -999 ? >GLN^A 183 33.49 44.83 25.03 32.42 46.47 24.15 32.96 45.65 24.59 2 0 1000.00 -999 ? >ILE^A 184 35.28 41.26 19.17 35.38 41.06 17.75 35.33 41.16 18.46 3 0 1000.00 -999 ? >ALA^A 185 39.63 42.23 20.65 40.48 41.88 21.89 40.06 42.05 21.27 2 0 1000.00 -999 ? >ARG.A 186 37.90 43.14 14.38 35.06 44.07 15.14 36.48 43.60 14.76 2 0 1000.00 -999 ? >ALA.A 187 44.05 40.33 16.78 44.86 41.15 15.75 44.45 40.74 16.27 2 0 1000.00 -999 ? >GLY.A 188 44.40 40.43 20.60 44.14 41.04 20.21 44.27 40.74 20.41 1 0 1000.00 -999 ? >PHE^A 189 44.90 46.47 20.50 45.06 49.14 21.28 44.98 47.81 20.89 3 0 1000.00 -999 ? >PHE^A 190 38.74 46.26 23.56 36.30 47.63 24.00 37.52 46.94 23.78 3 0 1000.00 -999 ? >GLN^A 191 41.67 51.47 21.33 40.34 53.21 21.33 41.01 52.34 21.33 2 0 1000.00 -999 ? >SER^A 192 38.10 52.20 24.45 35.79 52.06 25.04 36.94 52.13 24.75 2 0 1000.00 -999 ? >ASP^A 193 37.60 56.50 26.01 35.73 57.05 25.15 36.66 56.77 25.58 2 0 1000.00 -999 ? >ALA.A 194 35.58 55.78 29.86 35.74 54.60 30.84 35.65 55.19 30.35 2 0 1000.00 -999 ? >ASP.A 195 33.51 59.82 31.63 33.76 61.81 32.33 33.63 60.81 31.98 2 0 1000.00 -999 ? >GLU.A 196 36.02 61.41 35.23 37.85 62.25 35.80 36.94 61.83 35.51 2 0 1000.00 -999 ? >ALA.A 197 35.81 55.12 35.60 35.75 54.16 34.40 35.78 54.64 35.00 2 0 1000.00 -999 ? >ASN.A 198 37.21 53.48 39.92 36.81 55.49 40.45 37.01 54.49 40.18 2 0 1000.00 -999 ? >ILE^A 199 36.85 48.81 38.88 36.83 48.04 40.17 36.84 48.43 39.53 3 0 1000.00 -999 ? >LEU^A 200 38.55 47.44 33.40 38.80 49.00 32.00 38.67 48.22 32.70 3 0 1000.00 -999 ? >ARG^A 201 33.62 44.54 37.89 32.61 42.25 39.66 33.12 43.39 38.77 2 0 1000.00 -999 ? >LEU^A 202 38.25 41.36 31.71 39.56 42.95 31.22 38.91 42.16 31.47 3 0 1000.00 -999 ? >HIS^A 203 33.30 37.94 33.19 32.28 38.23 35.00 32.79 38.08 34.09 3 0 1000.00 -999 ? >ILE^A 204 39.17 36.31 29.35 40.31 36.99 29.01 39.74 36.65 29.18 3 0 1000.00 -999 ? >PRO^A 205 35.51 33.58 26.37 36.88 33.21 28.15 36.19 33.39 27.26 3 0 1000.00 -999 ? >MET?A 206 39.58 30.08 29.22 38.81 28.37 33.01 39.20 29.22 31.11 2 0 1000.00 -999 ? >LYS.A 207 39.74 28.38 25.80 35.35 30.23 21.72 37.55 29.31 23.76 2 0 1000.00 -999 ? >TYR.A 208 40.20 33.04 23.73 37.97 33.75 22.21 39.09 33.39 22.97 3 0 1000.00 -999 ? >GLY.A 209 44.71 30.53 26.87 44.41 31.30 26.64 44.56 30.91 26.75 1 0 1000.00 -999 ? >VAL^A 210 45.20 34.28 27.33 44.17 35.15 25.52 44.68 34.72 26.42 3 0 1000.00 -999 ? >TYR^A 211 47.91 36.81 30.99 50.56 37.08 30.34 49.24 36.95 30.66 3 0 1000.00 -999 ? >PRO^A 212 43.44 40.51 31.42 45.02 39.98 29.90 44.23 40.24 30.66 3 0 1000.00 -999 ? >MET?A 213 47.83 43.26 29.89 50.92 42.01 31.97 49.37 42.64 30.93 2 0 1000.00 -999 ? >ILE^A 214 44.75 46.45 31.28 43.35 46.29 31.52 44.05 46.37 31.40 3 0 1000.00 -999 ? >SER^A 215 47.29 50.04 30.22 48.30 50.12 28.08 47.79 50.08 29.15 2 0 1000.00 -999 ? >GLY^A 216 45.76 53.50 30.22 46.54 53.61 30.32 46.15 53.55 30.27 1 0 1000.00 -999 ? >HIS^A 217 47.75 58.90 28.83 48.65 60.76 29.22 48.20 59.83 29.02 3 0 1000.00 -999 ? >LYS.A 218 43.76 59.88 30.87 41.44 64.05 31.11 42.60 61.97 30.99 2 0 1000.00 -999 ? >ASN.A 219 39.09 59.12 29.59 38.50 60.69 30.91 38.80 59.91 30.25 2 0 1000.00 -999 ? >ARG^A 220 42.70 57.48 24.01 44.22 54.96 23.01 43.46 56.22 23.51 2 0 1000.00 -999 ? >PHE^A 221 40.39 51.17 29.12 37.73 50.48 28.56 39.06 50.83 28.84 3 0 1000.00 -999 ? >ALA^A 222 43.99 49.46 26.00 45.22 49.99 25.26 44.60 49.72 25.63 2 0 1000.00 -999 ? >ILE^A 223 42.39 45.08 26.82 41.32 44.56 27.62 41.86 44.82 27.22 3 0 1000.00 -999 ? >LYS^A 224 46.31 43.38 24.99 49.89 47.87 24.98 48.10 45.62 24.98 2 0 1000.00 -999 ? >PHE^A 225 43.21 39.52 25.19 40.88 40.48 26.38 42.04 40.00 25.78 3 0 1000.00 -999 ? >MET?A 226 48.88 37.62 25.80 50.47 40.57 25.50 49.67 39.10 25.65 2 0 1000.00 -999 ? >ALA^A 227 49.25 33.87 25.39 49.78 33.12 24.21 49.52 33.49 24.80 2 0 1000.00 -999 ? >PHE.A 228 49.65 31.05 30.95 50.90 30.27 33.35 50.28 30.66 32.15 3 0 1000.00 -999 ? >GLU.A 229 52.16 30.19 24.01 51.58 29.63 22.03 51.87 29.91 23.02 2 0 1000.00 -999 ? >ASN.A 230 55.33 32.07 24.23 53.95 33.02 22.90 54.64 32.55 23.56 2 0 1000.00 -999 ? >GLY.A 231 53.99 35.49 27.29 53.99 35.29 26.49 53.99 35.39 26.89 1 0 1000.00 -999 ? >GLN.A 232 55.72 36.81 21.98 57.11 37.46 23.48 56.42 37.13 22.73 2 0 1000.00 -999 ? >ALA.A 233 50.83 38.72 22.08 50.94 39.94 21.21 50.88 39.33 21.65 2 0 1000.00 -999 ? >CYH.A 234 47.89 36.64 20.95 45.56 35.04 21.12 46.72 35.84 21.03 2 0 1000.00 -999 ? >SER.A 235 46.87 37.35 17.37 49.14 37.90 16.66 48.01 37.63 17.02 2 0 1000.00 -999 ? >GLN.A 236 42.72 33.13 17.72 41.45 31.89 18.97 42.09 32.51 18.34 2 0 1000.00 -999 ? >ASP.A 237 39.19 37.61 16.78 39.75 38.63 14.95 39.47 38.12 15.87 2 0 1000.00 -999 ? >VAL^A 238 39.22 37.45 21.50 40.69 37.22 23.15 39.96 37.34 22.32 3 0 1000.00 -999 ? >GLU^A 239 34.38 36.85 20.38 33.02 35.53 19.47 33.70 36.19 19.93 2 0 1000.00 -999 ? >PHE^A 240 36.93 40.61 26.19 37.53 43.29 25.67 37.23 41.95 25.93 3 0 1000.00 -999 ? >GLU^A 241 31.09 39.01 28.31 29.12 38.79 28.94 30.10 38.90 28.63 2 0 1000.00 -999 ? >LEU^A 242 34.50 44.84 28.92 35.95 46.38 29.27 35.23 45.61 29.10 3 0 1000.00 -999 ? >ALA^A 243 32.16 45.89 32.74 31.64 45.16 33.98 31.90 45.53 33.36 2 0 1000.00 -999 ? >VAL^A 244 33.32 49.41 33.38 34.04 50.76 31.81 33.68 50.08 32.60 3 0 1000.00 -999 ? >CYH^A 245 32.78 50.77 36.90 32.56 48.14 37.65 32.67 49.45 37.27 2 0 1000.00 -999 ? >THR.B 2 53.77 24.26 79.13 52.95 23.12 80.80 53.36 23.69 79.97 2 0 1000.00 -999 ? >THR^B 3 57.29 24.56 77.63 58.69 22.95 77.93 57.99 23.76 77.78 2 0 1000.00 -999 ? >HIS^B 4 57.22 29.14 75.69 55.28 29.79 76.18 56.25 29.47 75.94 3 0 1000.00 -999 ? >LYS^B 5 60.91 25.44 72.45 57.37 21.36 73.87 59.14 23.40 73.16 2 0 1000.00 -999 ? >PHE^B 6 64.73 29.82 70.83 65.86 31.87 69.34 65.30 30.85 70.09 3 0 1000.00 -999 ? >GLU^B 7 66.74 24.75 66.74 65.71 23.31 65.59 66.23 24.03 66.17 2 0 1000.00 -999 ? >HIS^B 8 70.80 30.81 68.38 72.02 32.44 67.85 71.41 31.62 68.11 3 0 1000.00 -999 ? >PRO^B 9 70.59 30.35 63.49 71.25 28.82 65.05 70.92 29.58 64.27 3 0 1000.00 -999 ? >LEU.B 10 76.11 28.09 66.77 75.74 27.66 68.85 75.93 27.88 67.81 3 0 1000.00 -999 ? >ASN~B 11 77.99 28.94 62.18 77.35 26.88 61.98 77.67 27.91 62.08 2 0 1000.00 -999 ? >GLU~B 12 75.92 32.48 56.75 77.16 33.32 55.23 76.54 32.90 55.99 2 0 1000.00 -999 ? >LYS~B 13 75.60 27.94 57.33 78.23 23.15 59.16 76.91 25.54 58.25 2 0 1000.00 -999 ? >THR~B 14 73.10 26.62 59.94 73.42 25.44 61.73 73.26 26.03 60.83 2 0 1000.00 -999 ? >ARG~B 15 70.89 33.80 59.75 70.07 36.77 59.19 70.48 35.29 59.47 2 0 1000.00 -999 ? >ILE~B 16 71.71 29.16 54.88 72.30 29.66 53.78 72.00 29.41 54.33 3 0 1000.00 -999 ? >TYR~B 17 71.93 23.84 57.14 74.24 22.61 56.15 73.08 23.23 56.64 3 0 1000.00 -999 ? >LEU~B 18 67.29 27.11 60.59 67.95 25.91 62.35 67.62 26.51 61.47 3 0 1000.00 -999 ? >ARG~B 19 67.11 32.72 56.23 68.57 34.35 54.06 67.84 33.53 55.14 2 0 1000.00 -999 ? >VAL~B 20 65.62 26.48 53.96 67.01 25.98 52.28 66.32 26.23 53.12 3 0 1000.00 -999 ? >GLU~B 21 63.46 22.64 58.38 64.00 22.28 60.40 63.73 22.46 59.39 2 0 1000.00 -999 ? >SER~B 22 61.24 26.41 57.01 60.52 28.53 57.96 60.88 27.47 57.48 2 0 1000.00 -999 ? >LEU~B 23 61.75 28.23 52.48 62.14 30.36 52.68 61.94 29.30 52.58 3 0 1000.00 -999 ? >LEU~B 24 61.67 22.80 52.40 63.17 22.24 51.04 62.42 22.52 51.72 3 0 1000.00 -999 ? >ARG~B 25 59.08 21.13 57.91 59.38 18.07 57.60 59.23 19.60 57.76 2 0 1000.00 -999 ? >GLN~B 26 55.79 28.85 53.53 56.61 30.80 53.77 56.20 29.82 53.65 2 0 1000.00 -999 ? >ALA~B 27 56.01 25.55 50.10 57.09 25.50 49.10 56.55 25.53 49.60 2 0 1000.00 -999 ? >HIS~B 28 54.86 19.64 51.84 53.69 17.90 52.01 54.28 18.77 51.92 3 0 1000.00 -999 ? >LEU~B 29 51.98 23.30 54.51 52.43 21.96 56.24 52.20 22.63 55.38 3 0 1000.00 -999 ? >ALA~B 30 50.79 25.62 50.65 51.52 26.97 50.52 51.16 26.29 50.59 2 0 1000.00 -999 ? >SER~B 31 51.03 23.13 47.67 53.05 21.84 47.37 52.04 22.48 47.52 2 0 1000.00 -999 ? >GLY.B 32 47.43 21.95 47.81 47.60 22.77 47.74 47.51 22.36 47.77 1 0 1000.00 -999 ? >PHE.B 33 47.59 25.75 45.08 50.28 26.02 44.39 48.94 25.89 44.73 3 0 1000.00 -999 ? >ALA.B 34 43.19 24.52 49.57 43.48 23.62 50.82 43.33 24.07 50.19 2 0 1000.00 -999 ? >ASP.B 35 43.36 28.75 52.02 43.11 27.56 53.79 43.24 28.16 52.90 2 0 1000.00 -999 ? >ASN.B 36 41.22 32.15 48.33 39.64 31.62 46.93 40.43 31.89 47.63 2 0 1000.00 -999 ? >HIS~B 37 44.99 32.78 53.09 45.02 34.04 54.77 45.01 33.41 53.93 3 0 1000.00 -999 ? >GLN~B 38 46.52 27.77 51.12 46.99 26.10 52.35 46.75 26.93 51.73 2 0 1000.00 -999 ? >TYR~B 39 48.25 32.36 45.53 47.51 35.03 45.53 47.88 33.69 45.53 3 0 1000.00 -999 ? >GLN~B 40 49.20 35.49 48.98 49.98 37.16 47.88 49.59 36.32 48.43 2 0 1000.00 -999 ? >LEU~B 41 52.36 30.44 52.00 51.70 31.12 53.98 52.03 30.78 52.99 3 0 1000.00 -999 ? >PHE~B 42 53.54 27.23 46.24 54.94 25.66 44.40 54.24 26.45 45.32 3 0 1000.00 -999 ? >PHE~B 43 53.85 31.41 43.63 52.42 29.88 41.75 53.14 30.65 42.69 3 0 1000.00 -999 ? >ARG~B 44 56.58 36.43 50.83 55.47 38.86 49.29 56.03 37.64 50.06 2 0 1000.00 -999 ? >ALA~B 45 58.80 30.35 49.65 58.09 29.12 50.21 58.45 29.74 49.93 2 0 1000.00 -999 ? >LEU~B 46 58.89 29.15 44.98 58.31 27.28 44.13 58.60 28.21 44.55 3 0 1000.00 -999 ? >PHE~B 47 59.64 33.68 43.72 58.24 33.30 41.28 58.94 33.49 42.50 3 0 1000.00 -999 ? >ASP~B 48 62.15 33.12 50.22 61.09 34.94 50.68 61.62 34.03 50.45 2 0 1000.00 -999 ? >MET?B 49 64.70 29.81 48.17 63.11 26.11 49.39 63.91 27.96 48.78 2 0 1000.00 -999 ? >VAL~B 50 65.95 30.98 44.75 65.12 31.17 42.71 65.53 31.07 43.73 3 0 1000.00 -999 ? >GLU~B 51 66.19 36.41 46.26 67.67 37.96 46.27 66.93 37.18 46.27 2 0 1000.00 -999 ? >ILE~B 52 68.28 31.02 50.19 68.61 30.35 51.60 68.44 30.69 50.89 3 0 1000.00 -999 ? >PHE~B 53 69.08 27.99 46.06 67.21 26.09 46.85 68.14 27.04 46.46 3 0 1000.00 -999 ? >GLU~B 54 70.81 33.31 42.74 69.29 34.62 41.99 70.05 33.96 42.36 2 0 1000.00 -999 ? >GLN.B 55 74.48 35.92 47.76 72.71 36.91 48.45 73.59 36.42 48.10 2 0 1000.00 -999 ? >ILE.B 56 75.36 30.39 50.65 75.52 30.28 51.49 75.44 30.33 51.07 3 0 1000.00 -999 ? >GLN~B 57 80.13 28.04 48.35 80.42 28.32 46.26 80.27 28.18 47.30 2 0 1000.00 -999 ? >LEU~B 58 73.38 25.51 49.91 71.72 25.13 51.25 72.55 25.32 50.58 3 0 1000.00 -999 ? >LYS~B 59 75.43 21.82 48.19 76.02 19.25 42.41 75.73 20.54 45.30 2 0 1000.00 -999 ? >SER~B 60 79.08 21.67 49.15 81.38 22.33 49.22 80.23 22.00 49.19 2 0 1000.00 -999 ? >GLU~B 61 78.64 24.97 53.58 80.52 24.44 54.44 79.58 24.70 54.01 2 0 1000.00 -999 ? >LEU~B 62 74.26 20.13 52.37 72.36 19.78 53.33 73.31 19.95 52.85 3 0 1000.00 -999 ? >ALA~B 63 77.58 17.16 51.44 78.23 17.24 50.00 77.90 17.20 50.72 2 0 1000.00 -999 ? >LYS~B 64 80.44 17.59 53.90 83.72 22.15 51.53 82.08 19.87 52.71 2 0 1000.00 -999 ? >ASP~B 65 76.93 18.73 57.02 77.68 20.40 58.09 77.30 19.56 57.55 2 0 1000.00 -999 ? >LEU~B 66 75.58 14.26 54.40 73.50 14.20 54.09 74.54 14.23 54.25 3 0 1000.00 -999 ? >GLU~B 67 80.66 13.15 52.97 81.95 14.40 51.74 81.31 13.77 52.35 2 0 1000.00 -999 ? >LYS~B 68 80.56 13.88 58.92 81.34 18.13 62.40 80.95 16.01 60.66 2 0 1000.00 -999 ? >GLN~B 69 75.36 13.91 60.53 75.24 13.88 62.69 75.30 13.90 61.61 2 0 1000.00 -999 ? >ARG~B 70 78.84 7.33 54.94 79.66 4.36 54.87 79.25 5.84 54.90 2 0 1000.00 -999 ? >LEU~B 71 82.62 10.11 60.22 84.09 9.83 58.65 83.36 9.97 59.43 3 0 1000.00 -999 ? >SER~B 72 79.86 9.13 63.44 77.67 10.24 63.32 78.76 9.68 63.38 2 0 1000.00 -999 ? >TYR~B 73 75.72 6.72 62.42 73.72 8.59 63.23 74.72 7.65 62.82 3 0 1000.00 -999 ? >ARG~B 74 84.41 3.89 60.45 86.64 5.92 60.13 85.53 4.91 60.29 2 0 1000.00 -999 ? >HIS~B 75 80.72 4.62 67.44 78.98 5.69 67.93 79.85 5.15 67.68 3 0 1000.00 -999 ? >TRP~B 76 76.49 4.54 66.28 75.14 3.41 69.80 75.82 3.97 68.04 3 0 1000.00 -999 ? >LEU.B 77 80.20 -1.09 62.33 79.54 -0.44 60.38 79.87 -0.76 61.36 3 0 1000.00 -999 ? >ASN.B 78 81.23 -5.19 64.60 81.42 -5.15 62.48 81.33 -5.17 63.54 2 0 1000.00 -999 ? >VAL.B 79 78.74 -3.62 68.53 78.77 -1.61 69.48 78.76 -2.61 69.01 3 0 1000.00 -999 ? >GLU.B 80 76.57 -7.90 72.60 77.01 -9.81 71.78 76.79 -8.85 72.19 2 0 1000.00 -999 ? >GLY.B 81 73.20 -5.61 70.86 73.63 -5.29 70.32 73.41 -5.45 70.59 1 0 1000.00 -999 ? >VAL.B 82 73.08 -3.01 68.14 74.27 -1.20 67.74 73.68 -2.10 67.94 3 0 1000.00 -999 ? >ASP~B 83 69.16 -3.44 65.45 67.94 -4.22 63.86 68.55 -3.83 64.65 2 0 1000.00 -999 ? >GLN~B 84 75.08 -5.40 63.42 76.38 -3.67 63.67 75.73 -4.54 63.55 2 0 1000.00 -999 ? >GLU~B 85 68.98 -6.73 59.97 67.35 -7.63 58.92 68.17 -7.18 59.44 2 0 1000.00 -999 ? >ALA~B 86 68.73 -1.00 61.08 68.11 -0.73 62.45 68.42 -0.86 61.77 2 0 1000.00 -999 ? >LEU~B 87 73.48 -0.20 61.99 75.36 0.87 62.20 74.42 0.33 62.10 3 0 1000.00 -999 ? >ASN~B 88 73.36 -2.23 57.15 75.15 -3.16 57.84 74.26 -2.69 57.50 2 0 1000.00 -999 ? >SER~B 89 69.94 0.79 56.44 68.36 -1.01 56.75 69.15 -0.11 56.59 2 0 1000.00 -999 ? >LEU~B 90 71.00 4.40 59.52 71.21 6.64 60.03 71.11 5.52 59.77 3 0 1000.00 -999 ? >LEU~B 91 75.32 2.97 56.70 76.75 3.36 58.33 76.04 3.16 57.52 3 0 1000.00 -999 ? >ASN~B 92 71.93 1.94 52.71 71.61 1.81 50.58 71.77 1.87 51.64 2 0 1000.00 -999 ? >GLU~B 93 68.16 7.20 54.30 66.90 7.45 55.95 67.53 7.32 55.12 2 0 1000.00 -999 ? >ILE~B 94 73.92 8.56 55.27 74.44 9.07 56.40 74.18 8.81 55.84 3 0 1000.00 -999 ? >ASP~B 95 75.41 5.77 50.84 77.07 5.40 52.15 76.24 5.58 51.49 2 0 1000.00 -999 ? >VAL~B 96 71.81 7.41 48.65 70.04 6.07 48.20 70.92 6.74 48.42 3 0 1000.00 -999 ? >VAL~B 97 70.83 10.84 49.88 69.68 11.73 51.54 70.25 11.29 50.71 3 0 1000.00 -999 ? >HIS~B 98 77.01 11.94 50.21 78.88 12.75 49.73 77.94 12.34 49.97 3 0 1000.00 -999 ? >SER~B 99 74.89 10.55 46.08 75.58 8.28 46.35 75.24 9.42 46.22 2 0 1000.00 -999 ? >GLN~B 100 69.95 10.37 44.88 70.21 10.08 42.75 70.08 10.22 43.81 2 0 1000.00 -999 ? >LEU~B 101 73.16 15.81 47.97 73.31 17.76 48.96 73.23 16.78 48.46 3 0 1000.00 -999 ? >MET?B 102 76.26 15.48 44.75 78.91 15.79 46.80 77.58 15.64 45.78 2 0 1000.00 -999 ? >GLY~B 103 74.57 14.44 41.53 74.29 15.00 42.01 74.43 14.72 41.77 1 0 1000.00 -999 ? >ALA~B 104 71.99 17.21 41.63 71.33 17.81 42.91 71.66 17.51 42.27 2 0 1000.00 -999 ? >GLU.B 105 69.88 19.23 37.32 71.56 18.65 36.05 70.72 18.94 36.69 2 0 1000.00 -999 ? >ARG.B 106 74.23 26.77 39.34 76.99 27.52 40.49 75.61 27.14 39.91 2 0 1000.00 -999 ? >PHE.B 107 70.75 23.45 45.36 71.84 21.21 46.74 71.30 22.33 46.05 3 0 1000.00 -999 ? >GLY~B 108 67.10 26.63 41.84 67.54 26.22 41.31 67.32 26.42 41.58 1 0 1000.00 -999 ? >GLN~B 109 70.36 27.15 36.71 70.62 29.17 37.45 70.49 28.16 37.08 2 0 1000.00 -999 ? >ALA~B 110 65.07 24.74 37.01 64.57 23.37 37.40 64.82 24.05 37.20 2 0 1000.00 -999 ? >LEU~B 111 63.01 27.65 40.37 62.04 26.21 41.77 62.52 26.93 41.07 3 0 1000.00 -999 ? >LYS~B 112 65.03 30.18 37.23 70.18 32.45 38.36 67.60 31.31 37.79 2 0 1000.00 -999 ? >GLU~B 113 66.85 27.50 33.37 67.83 25.78 32.67 67.34 26.64 33.02 2 0 1000.00 -999 ? >ASP~B 114 60.08 27.87 35.44 58.05 27.40 35.07 59.07 27.64 35.25 2 0 1000.00 -999 ? >ARG~B 115 57.14 31.93 28.75 55.07 33.58 30.30 56.10 32.76 29.52 2 0 1000.00 -999 ? >PHE~B 116 54.05 30.92 35.37 52.29 31.70 37.38 53.17 31.31 36.37 3 0 1000.00 -999 ? >LEU~B 117 58.96 30.61 38.01 58.05 29.22 39.35 58.50 29.91 38.68 3 0 1000.00 -999 ? >SER~B 118 60.79 34.04 36.02 61.69 33.20 33.93 61.24 33.62 34.97 2 0 1000.00 -999 ? >SER~B 119 58.15 36.25 34.42 56.02 35.21 33.99 57.09 35.73 34.21 2 0 1000.00 -999 ? >ILE~B 120 55.21 36.07 38.31 54.35 34.94 38.44 54.78 35.51 38.38 3 0 1000.00 -999 ? >ARG~B 121 62.95 34.97 40.66 65.90 35.48 41.36 64.42 35.22 41.01 2 0 1000.00 -999 ? >GLN~B 122 62.55 41.59 38.95 63.05 43.52 38.17 62.80 42.55 38.56 2 0 1000.00 -999 ? >ARG~B 123 56.29 42.56 36.81 54.09 40.95 35.41 55.19 41.75 36.11 2 0 1000.00 -999 ? >PHE~B 124 55.46 36.94 43.81 53.82 35.74 45.73 54.64 36.34 44.77 3 0 1000.00 -999 ? >ASN.B 125 60.66 40.15 44.76 61.66 42.06 44.64 61.16 41.11 44.70 2 0 1000.00 -999 ? >LEU.B 126 57.50 44.80 44.50 58.70 45.65 42.85 58.10 45.22 43.67 3 0 1000.00 -999 ? >PRO.B 127 56.53 47.18 47.95 56.01 44.97 47.99 56.27 46.08 47.97 3 0 1000.00 -999 ? >GLY.B 128 52.43 42.80 47.89 52.25 43.02 48.53 52.34 42.91 48.21 1 0 1000.00 -999 ? >GLY.B 129 48.70 42.79 48.56 48.87 43.46 48.09 48.79 43.13 48.33 1 0 1000.00 -999 ? >CYH.B 131 46.26 40.38 45.21 45.15 43.05 44.60 45.71 41.72 44.90 2 0 1000.00 -999 ? >CYH.B 132 46.73 39.92 41.48 47.34 37.34 42.25 47.03 38.63 41.86 2 0 1000.00 -999 ? >PHE.B 133 45.10 44.91 40.84 46.27 46.59 42.74 45.68 45.75 41.79 3 0 1000.00 -999 ? >ASP.B 134 49.73 44.78 39.66 49.23 46.78 39.07 49.48 45.78 39.36 2 0 1000.00 -999 ? >LEU~B 135 50.87 39.27 39.01 52.93 39.11 39.53 51.90 39.19 39.27 3 0 1000.00 -999 ? >PRO~B 136 48.26 40.83 34.08 48.05 39.31 35.76 48.15 40.07 34.92 3 0 1000.00 -999 ? >ALA~B 137 49.66 35.86 34.37 51.09 35.77 33.94 50.37 35.82 34.15 2 0 1000.00 -999 ? >LEU~B 138 50.30 35.36 39.19 50.54 34.39 41.20 50.42 34.87 40.19 3 0 1000.00 -999 ? >HIS~B 139 43.83 36.88 38.46 41.81 37.10 39.00 42.82 36.99 38.73 3 0 1000.00 -999 ? >TYR~B 140 45.82 32.47 32.69 45.47 30.49 30.79 45.64 31.48 31.74 3 0 1000.00 -999 ? >TRP~B 141 50.03 28.38 36.55 49.80 27.45 40.39 49.92 27.92 38.47 3 0 1000.00 -999 ? >LEU~B 142 45.20 31.69 40.75 46.68 32.10 42.29 45.94 31.90 41.52 3 0 1000.00 -999 ? >HIS.B 143 40.99 32.10 36.94 39.80 33.78 37.35 40.39 32.94 37.14 3 0 1000.00 -999 ? >LEU.B 144 44.99 26.41 35.73 46.07 27.01 33.94 45.53 26.71 34.84 3 0 1000.00 -999 ? >PRO~B 145 41.87 22.70 34.96 42.28 23.96 36.83 42.08 23.33 35.89 3 0 1000.00 -999 ? >ILE~B 146 42.38 22.09 42.03 42.88 21.93 42.72 42.63 22.01 42.38 3 0 1000.00 -999 ? >GLU~B 147 44.25 16.79 38.90 44.64 15.32 37.36 44.45 16.06 38.13 2 0 1000.00 -999 ? >ARG~B 148 48.43 22.12 34.39 49.49 24.48 32.70 48.96 23.30 33.55 2 0 1000.00 -999 ? >LYS~B 149 48.04 23.77 39.68 44.29 27.67 42.15 46.16 25.72 40.91 2 0 1000.00 -999 ? >LYS~B 150 49.10 20.92 41.97 44.80 19.99 46.07 46.95 20.45 44.02 2 0 1000.00 -999 ? >HIS~B 151 51.27 18.02 36.91 52.67 17.17 35.60 51.97 17.59 36.26 3 0 1000.00 -999 ? >ASP~B 152 52.27 23.74 37.95 51.79 23.85 35.86 52.03 23.79 36.90 2 0 1000.00 -999 ? >ALA~B 153 53.58 22.86 42.09 52.59 23.17 43.15 53.09 23.01 42.62 2 0 1000.00 -999 ? >ASN~B 154 53.92 17.93 42.18 55.06 16.15 41.59 54.49 17.04 41.89 2 0 1000.00 -999 ? >GLN~B 155 56.04 18.97 37.30 57.11 17.20 36.81 56.58 18.08 37.05 2 0 1000.00 -999 ? >TRP~B 156 58.18 24.83 38.70 54.72 26.75 38.89 56.45 25.79 38.79 3 0 1000.00 -999 ? >GLN~B 157 57.36 22.08 45.89 55.75 21.42 47.07 56.56 21.75 46.48 2 0 1000.00 -999 ? >LYS~B 158 60.50 18.05 42.71 59.57 13.30 38.73 60.03 15.68 40.72 2 0 1000.00 -999 ? >SER~B 159 63.47 20.13 41.39 63.13 22.56 41.31 63.29 21.35 41.35 2 0 1000.00 -999 ? >LEU~B 160 63.70 21.75 45.91 63.64 23.87 45.41 63.67 22.81 45.66 3 0 1000.00 -999 ? >LYS~B 161 64.11 17.15 46.11 63.40 11.68 46.84 63.75 14.41 46.48 2 0 1000.00 -999 ? >PRO~B 162 68.00 16.43 43.94 67.18 16.55 46.04 67.59 16.49 44.99 3 0 1000.00 -999 ? >LEU~B 163 68.18 20.81 48.25 68.54 22.57 49.53 68.36 21.69 48.89 3 0 1000.00 -999 ? >SER~B 164 65.22 18.54 50.66 62.97 18.07 51.23 64.09 18.31 50.94 2 0 1000.00 -999 ? >ASP~B 165 66.32 13.80 50.23 64.48 13.20 49.33 65.40 13.50 49.78 2 0 1000.00 -999 ? >ALA~B 166 69.71 15.86 52.30 70.71 16.48 51.37 70.21 16.17 51.84 2 0 1000.00 -999 ? >LEU~B 167 68.09 20.05 54.12 68.36 22.03 55.09 68.23 21.04 54.60 3 0 1000.00 -999 ? >THR~B 168 65.80 16.83 56.16 63.76 16.40 55.48 64.78 16.61 55.82 2 0 1000.00 -999 ? >LEU~B 169 68.82 12.99 55.81 69.48 10.96 56.24 69.15 11.97 56.03 3 0 1000.00 -999 ? >TRP~B 170 74.24 16.89 58.59 73.49 20.11 60.71 73.87 18.50 59.65 3 0 1000.00 -999 ? >LEU~B 171 67.61 19.01 60.21 67.81 21.11 59.82 67.71 20.06 60.01 3 0 1000.00 -999 ? >LYS~B 172 67.00 14.78 61.73 64.24 9.20 61.15 65.62 11.99 61.44 2 0 1000.00 -999 ? >LEU~B 173 71.28 12.49 61.70 70.81 10.61 60.66 71.04 11.55 61.18 3 0 1000.00 -999 ? >ALA~B 174 71.75 16.30 64.25 72.11 17.61 63.56 71.93 16.95 63.90 2 0 1000.00 -999 ? >ARG~B 175 65.82 18.90 64.89 65.09 20.96 62.71 65.45 19.93 63.80 2 0 1000.00 -999 ? >GLU~B 176 66.91 11.94 66.04 65.71 13.69 66.38 66.31 12.81 66.21 2 0 1000.00 -999 ? >THR~B 177 72.22 13.40 68.87 73.88 12.71 67.62 73.05 13.05 68.24 2 0 1000.00 -999 ? >GLY~B 178 71.62 16.47 70.99 71.19 15.73 71.04 71.40 16.10 71.02 1 0 1000.00 -999 ? >HIS.B 179 69.88 13.39 75.24 68.37 11.94 75.11 69.13 12.67 75.18 3 0 1000.00 -999 ? >PHE.B 180 66.69 18.92 75.51 65.72 19.89 73.06 66.20 19.41 74.29 3 0 1000.00 -999 ? >LYS^B 181 70.59 19.06 80.08 75.41 19.74 80.78 73.00 19.40 80.43 2 0 1000.00 -999 ? >ALA^B 182 68.90 21.20 82.79 68.39 20.68 84.14 68.65 20.94 83.46 2 0 1000.00 -999 ? >GLN^B 183 71.92 24.30 80.84 73.43 23.09 81.75 72.67 23.70 81.30 2 0 1000.00 -999 ? >ILE^B 184 70.20 27.45 86.61 70.39 28.55 87.29 70.30 28.00 86.95 3 0 1000.00 -999 ? >ALA^B 185 70.38 31.43 83.97 69.65 31.94 82.75 70.01 31.69 83.36 2 0 1000.00 -999 ? >ARG.B 186 74.08 31.44 89.03 75.60 33.99 89.93 74.84 32.72 89.48 2 0 1000.00 -999 ? >ALA.B 187 69.71 36.71 87.06 70.79 37.65 87.54 70.25 37.18 87.30 2 0 1000.00 -999 ? >GLY.B 188 68.46 35.86 83.52 69.22 35.79 83.70 68.84 35.83 83.61 1 0 1000.00 -999 ? >PHE^B 189 74.13 36.42 81.33 76.32 36.40 79.57 75.23 36.41 80.45 3 0 1000.00 -999 ? >PHE^B 190 73.36 29.62 80.31 74.55 27.09 79.94 73.96 28.35 80.12 3 0 1000.00 -999 ? >GLN^B 191 78.93 32.92 78.10 79.87 34.84 78.10 79.40 33.88 78.10 2 0 1000.00 -999 ? >SER^B 192 78.89 28.65 77.83 78.88 26.23 77.91 78.89 27.44 77.87 2 0 1000.00 -999 ? >ASP^B 193 82.52 27.79 75.12 83.32 26.38 76.52 82.92 27.08 75.82 2 0 1000.00 -999 ? >ALA.B 194 80.05 25.28 71.98 78.77 25.56 71.17 79.41 25.42 71.58 2 0 1000.00 -999 ? >ASP.B 195 83.79 22.38 71.25 83.93 22.96 73.29 83.86 22.67 72.27 2 0 1000.00 -999 ? >GLU.B 196 84.14 21.28 66.12 84.68 19.81 64.68 84.41 20.55 65.40 2 0 1000.00 -999 ? >ALA.B 197 78.26 22.95 67.55 77.70 23.32 68.91 77.98 23.14 68.23 2 0 1000.00 -999 ? >ASN.B 198 75.40 23.14 63.77 77.17 22.52 62.77 76.28 22.83 63.27 2 0 1000.00 -999 ? >ILE^B 199 71.20 23.48 66.25 70.20 23.14 65.34 70.70 23.31 65.79 3 0 1000.00 -999 ? >LEU^B 200 71.47 26.56 71.01 73.39 27.10 71.75 72.43 26.83 71.38 3 0 1000.00 -999 ? >ARG^B 201 67.53 20.55 69.32 64.77 19.26 68.98 66.15 19.90 69.15 2 0 1000.00 -999 ? >LEU^B 202 66.47 26.95 74.54 68.03 28.33 74.07 67.25 27.64 74.31 3 0 1000.00 -999 ? >HIS^B 203 62.99 22.06 75.60 62.81 20.60 74.09 62.90 21.33 74.84 3 0 1000.00 -999 ? >ILE^B 204 62.25 28.70 78.11 63.04 29.78 77.91 62.65 29.24 78.01 3 0 1000.00 -999 ? >PRO^B 205 60.52 26.10 82.60 59.64 26.89 80.68 60.08 26.50 81.64 3 0 1000.00 -999 ? >MET?B 206 55.94 29.01 79.85 52.85 26.84 77.47 54.40 27.93 78.66 2 0 1000.00 -999 ? >LYS.B 207 55.83 30.19 83.47 57.01 26.69 86.90 56.42 28.44 85.19 2 0 1000.00 -999 ? >TYR.B 208 60.70 31.49 83.94 61.89 29.59 85.68 61.29 30.54 84.81 3 0 1000.00 -999 ? >GLY.B 209 57.04 34.83 80.34 57.83 34.65 80.56 57.44 34.74 80.45 1 0 1000.00 -999 ? >VAL^B 210 60.71 35.22 79.11 62.03 34.73 80.77 61.37 34.98 79.94 3 0 1000.00 -999 ? >TYR^B 211 61.71 36.85 74.10 62.07 39.62 73.62 61.89 38.23 73.86 3 0 1000.00 -999 ? >PRO^B 212 65.43 32.04 73.89 65.24 34.14 74.78 65.34 33.09 74.33 3 0 1000.00 -999 ? >MET?B 213 68.27 36.72 72.98 66.86 39.76 71.42 67.57 38.24 72.20 2 0 1000.00 -999 ? >ILE^B 214 71.07 33.22 71.49 70.97 31.81 71.90 71.02 32.51 71.69 3 0 1000.00 -999 ? >SER^B 215 74.67 36.10 70.57 75.13 37.59 72.44 74.90 36.84 71.51 2 0 1000.00 -999 ? >GLY^B 216 78.07 34.56 69.73 78.17 35.29 69.57 78.12 34.93 69.65 1 0 1000.00 -999 ? >HIS^B 217 83.00 37.03 69.73 83.62 38.75 68.69 83.31 37.89 69.21 3 0 1000.00 -999 ? >LYS.B 218 84.16 32.07 67.98 89.69 34.53 70.08 86.93 33.30 69.03 2 0 1000.00 -999 ? >ASN.B 219 84.21 28.00 70.35 84.80 26.79 68.66 84.50 27.40 69.51 2 0 1000.00 -999 ? >ARG^B 220 82.90 32.56 75.85 84.97 33.87 77.71 83.93 33.21 76.78 2 0 1000.00 -999 ? >PHE^B 221 76.37 29.68 73.24 76.01 27.31 74.72 76.19 28.49 73.98 3 0 1000.00 -999 ? >ALA^B 222 75.46 34.05 75.45 75.97 35.45 75.74 75.71 34.75 75.59 2 0 1000.00 -999 ? >ILE^B 223 71.22 32.22 76.72 70.60 30.99 76.46 70.91 31.61 76.59 3 0 1000.00 -999 ? >LYS^B 224 69.99 36.65 77.89 71.93 40.01 76.19 70.96 38.33 77.04 2 0 1000.00 -999 ? >PHE^B 225 66.14 33.92 79.54 66.91 31.26 79.00 66.52 32.59 79.27 3 0 1000.00 -999 ? >MET?B 226 63.76 39.14 78.08 66.59 40.92 76.92 65.18 40.03 77.50 2 0 1000.00 -999 ? >ALA^B 227 60.29 39.61 79.63 59.90 40.53 80.77 60.10 40.07 80.20 2 0 1000.00 -999 ? >PHE.B 228 56.12 38.17 75.06 54.44 38.69 72.88 55.28 38.43 73.97 3 0 1000.00 -999 ? >GLU.B 229 53.50 42.48 80.02 54.09 44.16 81.25 53.79 43.32 80.63 2 0 1000.00 -999 ? >ASN.B 230 57.83 45.40 79.64 59.38 44.58 80.91 58.61 44.99 80.27 2 0 1000.00 -999 ? >GLY.B 231 60.73 43.69 76.09 60.72 43.78 76.90 60.72 43.74 76.50 1 0 1000.00 -999 ? >GLN.B 232 63.18 46.39 80.86 62.85 48.13 79.66 63.01 47.26 80.26 2 0 1000.00 -999 ? >ALA.B 233 65.80 42.36 80.40 67.26 42.79 80.58 66.53 42.58 80.49 2 0 1000.00 -999 ? >CYH.B 234 64.74 39.66 82.85 64.08 37.13 83.86 64.41 38.40 83.36 2 0 1000.00 -999 ? >SER.B 235 66.98 39.55 85.88 66.42 41.58 87.14 66.70 40.56 86.51 2 0 1000.00 -999 ? >GLN.B 236 63.42 37.72 88.53 63.63 38.22 90.62 63.53 37.97 89.57 2 0 1000.00 -999 ? >ASP.B 237 66.81 32.00 89.33 68.42 32.62 90.62 67.62 32.31 89.97 2 0 1000.00 -999 ? >VAL^B 238 65.56 30.97 84.92 64.86 32.07 83.10 65.21 31.52 84.01 3 0 1000.00 -999 ? >GLU^B 239 65.15 26.65 87.29 64.75 25.07 88.66 64.95 25.86 87.98 2 0 1000.00 -999 ? >PHE^B 240 67.15 27.27 80.13 69.79 28.17 79.71 68.47 27.72 79.92 3 0 1000.00 -999 ? >GLU^B 241 65.14 20.97 80.22 65.74 19.04 80.85 65.44 20.01 80.54 2 0 1000.00 -999 ? >LEU^B 242 70.71 24.15 77.29 71.89 25.45 76.01 71.30 24.80 76.65 3 0 1000.00 -999 ? >ALA^B 243 70.65 20.74 74.01 69.70 19.70 73.39 70.18 20.22 73.70 2 0 1000.00 -999 ? >VAL^B 244 73.76 21.60 71.97 75.53 22.74 72.70 74.65 22.17 72.34 3 0 1000.00 -999 ? >CYH^B 245 73.65 19.78 68.56 70.84 19.21 69.04 72.24 19.50 68.80 2 0 1000.00 -999 ?