REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-APR-07 2PJQ COMPND UNCHARACTERIZED PROTEIN LP_2664; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM WCFS1; SOURCE 3 ORGANISM_TAXID: 220668; SOURCE 4 STRAIN: WCFS1, NCIMB 8826; SOURCE 5 ATCC: BAA-793; SOURCE 6 GENE: LP_2664; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR J.BENACH,M.SU,J.SEETHARAMAN,F.FOROUHAR,C.X.CHEN, AUTHOR 2 K.CUNNINGHAM,L-C.MA,L.OWENS,M.BARAN,T.B.ACTON, AUTHOR 3 G.T.MONTELIONE,L.TONG,J.F.HUNT,NORTHEAST STRUCTURAL AUTHOR 4 GENOMICS CONSORTIUM (NESG) HET MSE A 1 8 HET MSE A 100 8 HET MSE A 158 8 HET MSE A 185 8 HET MSE A 201 8 HET MSE B 1 8 HET MSE B 66 8 HET MSE B 100 8 HET MSE B 158 8 HET MSE B 185 8 HET MSE B 201 8 HET MSE C 1 8 HET MSE C 66 8 HET MSE C 100 8 HET MSE C 158 8 HET MSE C 185 8 HET MSE C 201 8 HET MSE D 1 8 HET MSE D 100 8 HET MSE D 158 8 HET MSE D 185 8 HET MSE D 201 8 >MET?A 1 74.92 44.11 61.02 72.39 44.12 63.46 73.65 44.11 62.24 2 0 1000.00 -999 ? >ILE.A 2 77.42 47.95 59.50 77.15 49.09 58.68 77.28 48.52 59.09 3 0 1000.00 -999 ? >THR~A 3 81.33 45.50 59.94 81.72 44.16 58.30 81.53 44.83 59.12 2 0 1000.00 -999 ? >GLU~A 4 86.06 48.70 62.38 85.85 49.42 64.35 85.96 49.06 63.36 2 0 1000.00 -999 ? >THR~A 5 85.39 47.57 57.52 86.29 46.08 56.24 85.84 46.82 56.88 2 0 1000.00 -999 ? >GLN~A 6 81.00 46.95 55.28 79.22 45.84 55.60 80.11 46.39 55.44 2 0 1000.00 -999 ? >LEU~A 7 82.48 51.72 60.02 82.01 53.38 61.33 82.24 52.55 60.67 3 0 1000.00 -999 ? >THR~A 8 85.75 52.93 57.64 87.13 51.59 58.61 86.44 52.26 58.13 2 0 1000.00 -999 ? >ALA~A 9 84.68 52.50 54.02 84.15 51.23 53.38 84.41 51.87 53.70 2 0 1000.00 -999 ? >ILE~A 10 80.49 54.22 55.82 79.13 54.01 56.23 79.81 54.12 56.03 3 0 1000.00 -999 ? >GLN~A 11 85.35 58.32 57.91 86.98 58.04 59.23 86.16 58.18 58.57 2 0 1000.00 -999 ? >THR~A 12 86.08 57.80 53.55 87.72 56.66 52.76 86.90 57.23 53.16 2 0 1000.00 -999 ? >TYR~A 13 80.75 57.52 50.20 78.67 58.28 48.49 79.71 57.90 49.35 3 0 1000.00 -999 ? >ALA~A 14 81.57 60.90 53.23 80.99 60.78 54.63 81.28 60.84 53.93 2 0 1000.00 -999 ? >LEU~A 15 86.03 62.27 54.67 86.28 62.00 56.83 86.16 62.13 55.75 3 0 1000.00 -999 ? >GLN~A 16 87.43 61.41 49.49 88.28 60.09 50.96 87.85 60.75 50.22 2 0 1000.00 -999 ? >LYS.A 17 81.64 63.79 49.49 78.06 62.18 45.35 79.85 62.99 47.42 2 0 1000.00 -999 ? >LEU.A 18 81.29 66.26 53.32 79.17 66.26 53.74 80.23 66.26 53.53 3 0 1000.00 -999 ? >ALA.A 19 85.20 68.10 51.08 86.30 67.32 50.40 85.75 67.71 50.74 2 0 1000.00 -999 ? >HIS.A 20 85.79 70.49 47.49 87.55 69.62 46.76 86.67 70.05 47.12 3 0 1000.00 -999 ? >ASP.A 21 81.46 71.84 53.17 79.48 72.19 53.83 80.47 72.02 53.50 2 0 1000.00 -999 ? >HIS.A 22 83.87 76.20 50.77 85.82 75.75 50.15 84.84 75.97 50.46 3 0 1000.00 -999 ? >SER.A 23 78.90 76.22 54.53 77.48 74.42 53.74 78.19 75.32 54.13 2 0 1000.00 -999 ? >GLY.A 24 79.59 74.88 58.03 79.49 74.38 57.45 79.54 74.63 57.74 1 0 1000.00 -999 ? >HIS.A 25 76.65 71.93 57.13 75.18 73.28 57.75 75.91 72.60 57.44 3 0 1000.00 -999 ? >GLY~A 26 82.32 69.69 56.07 82.18 69.57 56.89 82.25 69.63 56.48 1 0 1000.00 -999 ? >ARG~A 27 88.38 67.25 55.07 89.15 64.34 54.35 88.76 65.80 54.71 2 0 1000.00 -999 ? >ASP~A 28 85.64 70.44 60.96 87.67 70.77 60.47 86.65 70.61 60.71 2 0 1000.00 -999 ? >HIS~A 29 78.99 68.69 60.94 77.10 68.20 61.72 78.04 68.44 61.33 3 0 1000.00 -999 ? >LEU~A 30 82.09 64.42 59.20 80.69 64.16 57.56 81.39 64.29 58.38 3 0 1000.00 -999 ? >GLN~A 31 86.71 64.19 61.41 88.68 64.99 61.12 87.70 64.59 61.26 2 0 1000.00 -999 ? >ARG~A 32 83.53 69.92 66.56 83.24 71.46 63.94 83.38 70.69 65.25 2 0 1000.00 -999 ? >VAL~A 33 79.81 64.46 65.37 78.05 64.57 64.10 78.93 64.52 64.74 3 0 1000.00 -999 ? >ASN~A 34 82.86 60.92 64.19 83.74 58.97 64.37 83.30 59.95 64.28 2 0 1000.00 -999 ? >ARG~A 35 85.88 63.04 70.57 88.49 64.11 69.37 87.18 63.57 69.97 2 0 1000.00 -999 ? >LEU~A 36 79.14 64.00 69.82 79.50 65.90 70.78 79.32 64.95 70.30 3 0 1000.00 -999 ? >ALA~A 37 78.15 59.78 68.70 77.94 59.51 67.22 78.04 59.65 67.96 2 0 1000.00 -999 ? >ARG~A 38 84.56 56.83 68.13 84.84 54.07 66.78 84.70 55.45 67.45 2 0 1000.00 -999 ? >ARG~A 39 81.05 61.52 75.78 80.42 63.11 78.33 80.73 62.32 77.06 2 0 1000.00 -999 ? >LEU~A 40 76.03 59.80 72.49 75.67 61.88 73.01 75.85 60.84 72.75 3 0 1000.00 -999 ? >ALA~A 41 76.61 55.47 71.81 77.20 55.15 70.45 76.91 55.31 71.13 2 0 1000.00 -999 ? >LYS~A 42 78.76 53.72 74.43 84.75 54.54 72.51 81.76 54.13 73.47 2 0 1000.00 -999 ? >ASP~A 43 76.72 56.36 77.87 78.69 57.17 77.72 77.71 56.76 77.79 2 0 1000.00 -999 ? >GLU~A 44 72.24 55.84 75.00 70.69 55.77 76.45 71.47 55.81 75.72 2 0 1000.00 -999 ? >GLY~A 45 74.50 50.23 74.74 74.20 50.84 74.22 74.35 50.53 74.48 1 0 1000.00 -999 ? >ALA.A 46 73.79 50.92 71.09 73.34 52.31 70.65 73.57 51.61 70.87 2 0 1000.00 -999 ? >ASN~A 47 74.28 48.51 67.01 75.38 47.65 65.44 74.83 48.08 66.23 2 0 1000.00 -999 ? >LEU~A 48 79.53 51.16 68.17 81.41 52.04 67.65 80.47 51.60 67.91 3 0 1000.00 -999 ? >ASN~A 49 78.98 49.17 63.18 81.04 48.67 63.29 80.01 48.92 63.23 2 0 1000.00 -999 ? >LEU~A 50 73.82 50.62 63.28 71.92 50.98 62.36 72.87 50.80 62.82 3 0 1000.00 -999 ? >THR~A 51 75.30 54.57 64.66 75.22 54.90 66.78 75.26 54.74 65.72 2 0 1000.00 -999 ? >LEU~A 52 79.98 55.12 63.60 80.71 55.55 65.63 80.35 55.33 64.61 3 0 1000.00 -999 ? >ALA~A 53 77.49 54.73 59.79 76.89 53.40 59.41 77.19 54.06 59.60 2 0 1000.00 -999 ? >ALA~A 54 74.39 56.89 60.05 73.25 56.71 61.09 73.82 56.80 60.57 2 0 1000.00 -999 ? >ALA~A 55 76.38 59.74 61.55 77.26 59.63 62.77 76.82 59.68 62.16 2 0 1000.00 -999 ? >TRP~A 56 81.14 57.17 59.59 83.69 60.11 59.98 82.42 58.64 59.78 3 0 1000.00 -999 ? >LEU~A 57 75.69 58.45 55.27 76.90 56.96 54.28 76.30 57.71 54.78 3 0 1000.00 -999 ? >HIS~A 58 71.81 63.33 58.59 70.43 64.92 58.61 71.12 64.13 58.60 3 0 1000.00 -999 ? >ASP~A 59 76.08 66.18 56.62 75.28 67.24 58.29 75.68 66.71 57.46 2 0 1000.00 -999 ? >VAL~A 60 75.74 63.71 52.53 76.80 61.90 51.96 76.27 62.81 52.24 3 0 1000.00 -999 ? >ILE~A 61 71.04 63.14 52.07 70.02 62.73 53.16 70.53 62.94 52.61 3 0 1000.00 -999 ? >ASP~A 62 71.45 67.79 54.74 70.73 66.86 56.50 71.09 67.33 55.62 2 0 1000.00 -999 ? >ALA~A 72 72.24 62.53 47.03 71.97 63.38 48.27 72.11 62.95 47.65 2 0 1000.00 -999 ? >HIS~A 73 67.55 60.31 48.75 66.53 60.86 50.50 67.04 60.59 49.62 3 0 1000.00 -999 ? >GLN~A 74 71.00 58.31 41.81 70.44 59.46 40.10 70.72 58.88 40.96 2 0 1000.00 -999 ? >ASP~A 75 75.12 59.31 45.53 75.41 60.75 44.02 75.27 60.03 44.78 2 0 1000.00 -999 ? >LEU~A 76 73.90 57.07 49.71 74.51 56.73 51.76 74.21 56.90 50.74 3 0 1000.00 -999 ? >ILE~A 77 71.02 53.65 46.74 69.56 53.54 46.66 70.29 53.59 46.70 3 0 1000.00 -999 ? >VAL~A 78 74.90 52.52 44.92 74.85 53.36 42.90 74.87 52.94 43.91 3 0 1000.00 -999 ? >GLN~A 79 79.36 54.40 48.88 81.13 53.61 47.99 80.24 54.01 48.44 2 0 1000.00 -999 ? >LEU~A 80 75.17 51.41 51.01 74.98 52.60 52.78 75.08 52.00 51.90 3 0 1000.00 -999 ? >ASN~A 81 75.09 48.24 46.58 73.08 47.56 46.69 74.08 47.90 46.63 2 0 1000.00 -999 ? >ALA~A 82 79.35 48.14 46.56 79.91 49.24 45.68 79.63 48.69 46.12 2 0 1000.00 -999 ? >GLN.A 83 80.80 49.97 50.35 82.92 50.06 50.30 81.86 50.02 50.32 2 0 1000.00 -999 ? >ASN.A 84 79.67 43.28 51.54 80.43 41.95 50.09 80.05 42.61 50.81 2 0 1000.00 -999 ? >VAL.A 85 76.19 46.28 52.98 74.83 47.89 52.67 75.51 47.08 52.83 3 0 1000.00 -999 ? >THR~A 86 72.73 44.80 53.44 72.77 44.30 55.54 72.75 44.55 54.49 2 0 1000.00 -999 ? >ALA~A 87 69.14 45.72 52.67 68.12 44.77 52.07 68.63 45.25 52.37 2 0 1000.00 -999 ? >ASP~A 88 68.32 44.45 57.28 66.54 43.34 57.09 67.43 43.90 57.18 2 0 1000.00 -999 ? >ASP~A 89 72.75 47.25 57.54 73.12 45.68 58.90 72.94 46.47 58.22 2 0 1000.00 -999 ? >GLN~A 90 71.93 49.39 52.49 71.82 49.36 50.36 71.87 49.38 51.42 2 0 1000.00 -999 ? >THR~A 91 66.95 50.34 55.65 65.03 49.27 55.49 65.99 49.81 55.57 2 0 1000.00 -999 ? >ALA~A 92 68.34 50.84 59.16 69.17 49.80 59.92 68.76 50.32 59.54 2 0 1000.00 -999 ? >ILE~A 93 71.86 53.39 57.00 73.17 53.45 56.55 72.52 53.42 56.78 3 0 1000.00 -999 ? >PHE~A 94 68.19 55.07 53.67 69.91 55.34 51.44 69.05 55.20 52.55 3 0 1000.00 -999 ? >ALA~A 95 65.58 55.11 59.11 65.42 53.91 60.01 65.50 54.51 59.56 2 0 1000.00 -999 ? >ILE~A 96 69.42 56.94 61.32 70.31 56.61 62.42 69.86 56.77 61.87 3 0 1000.00 -999 ? >ILE~A 97 70.44 59.06 56.96 71.76 59.24 56.17 71.10 59.15 56.56 3 0 1000.00 -999 ? >ASP~A 98 65.30 59.10 55.78 65.66 59.34 53.73 65.48 59.22 54.76 2 0 1000.00 -999 ? >HIS.A 99 62.72 59.06 59.23 61.88 57.74 57.82 62.30 58.40 58.53 3 0 1000.00 -999 ? >MET?A 100 66.36 63.05 62.04 70.40 61.90 61.61 68.38 62.48 61.82 2 0 1000.00 -999 ? >SER.A 101 66.52 66.57 60.54 64.83 67.02 58.80 65.68 66.79 59.67 2 0 1000.00 -999 ? >PHE~A 102 65.44 71.76 63.73 63.90 73.50 65.31 64.67 72.63 64.52 3 0 1000.00 -999 ? >SER~A 103 63.21 70.35 59.43 64.99 70.62 57.81 64.10 70.49 58.62 2 0 1000.00 -999 ? >LYS~A 104 61.27 67.13 59.69 62.01 62.97 56.72 61.64 65.05 58.20 2 0 1000.00 -999 ? >SER~A 105 60.43 68.14 63.25 61.39 70.27 63.99 60.91 69.21 63.62 2 0 1000.00 -999 ? >PHE~A 106 59.41 72.58 61.10 61.35 74.20 62.29 60.38 73.39 61.70 3 0 1000.00 -999 ? >ASN~A 107 56.69 66.67 59.12 57.15 67.55 57.27 56.92 67.11 58.19 2 0 1000.00 -999 ? >GLY~A 108 55.68 66.39 63.65 56.46 66.28 63.29 56.07 66.34 63.47 1 0 1000.00 -999 ? >PRO.A 109 55.92 64.11 67.32 57.31 64.65 65.65 56.61 64.38 66.48 3 0 1000.00 -999 ? >GLN.A 110 59.57 62.21 61.56 59.47 64.32 61.88 59.52 63.26 61.72 2 0 1000.00 -999 ? >LYS.A 111 60.42 58.39 66.31 56.97 55.15 69.88 58.70 56.77 68.10 2 0 1000.00 -999 ? >LEU.A 112 65.07 57.81 65.88 65.14 59.84 65.19 65.11 58.83 65.54 3 0 1000.00 -999 ? >SER.A 113 65.79 53.69 66.59 66.44 52.75 64.43 66.12 53.22 65.51 2 0 1000.00 -999 ? >LEU~A 114 68.42 52.76 70.33 68.94 52.84 72.43 68.68 52.80 71.38 3 0 1000.00 -999 ? >GLU~A 115 70.84 52.32 65.89 70.90 51.01 67.55 70.87 51.66 66.72 2 0 1000.00 -999 ? >GLY~A 116 69.13 57.03 65.38 69.36 56.99 66.20 69.24 57.01 65.79 1 0 1000.00 -999 ? >GLN~A 117 66.20 58.41 69.55 65.07 57.04 70.74 65.64 57.73 70.14 2 0 1000.00 -999 ? >VAL~A 118 72.16 58.91 69.66 73.60 57.50 70.49 72.88 58.21 70.08 3 0 1000.00 -999 ? >VAL~A 119 73.04 60.14 66.15 73.22 59.19 64.18 73.13 59.67 65.16 3 0 1000.00 -999 ? >GLN~A 120 67.97 63.60 66.05 66.08 63.66 67.00 67.03 63.63 66.53 2 0 1000.00 -999 ? >ASP~A 121 72.01 62.82 70.86 70.31 62.45 72.10 71.16 62.63 71.48 2 0 1000.00 -999 ? >ALA~A 122 75.18 63.92 68.11 75.84 62.71 67.48 75.51 63.31 67.80 2 0 1000.00 -999 ? >ASP~A 123 73.46 65.65 63.94 73.37 67.13 62.44 73.42 66.39 63.19 2 0 1000.00 -999 ? >ARG~A 124 69.15 68.61 66.81 66.26 67.59 66.56 67.71 68.10 66.68 2 0 1000.00 -999 ? >LEU~A 125 75.78 67.52 70.64 75.34 66.69 72.58 75.56 67.11 71.61 3 0 1000.00 -999 ? >ASP~A 126 78.01 69.29 66.06 79.93 70.01 65.47 78.97 69.65 65.76 2 0 1000.00 -999 ? >ALA.A 127 74.79 72.74 66.51 73.43 72.35 65.97 74.11 72.55 66.24 2 0 1000.00 -999 ? >ILE~A 128 74.04 73.96 70.92 73.08 72.94 71.41 73.56 73.45 71.17 3 0 1000.00 -999 ? >GLY~A 129 77.78 75.74 72.23 77.52 76.16 71.53 77.65 75.95 71.88 1 0 1000.00 -999 ? >ALA~A 130 80.61 78.00 71.08 81.96 78.10 71.73 81.29 78.05 71.40 2 0 1000.00 -999 ? >ILE~A 131 81.45 74.51 67.88 82.32 73.51 67.11 81.88 74.01 67.49 3 0 1000.00 -999 ? >GLY~A 132 77.26 76.26 67.39 77.83 76.88 67.43 77.55 76.57 67.41 1 0 1000.00 -999 ? >ILE~A 133 78.01 80.98 68.36 78.01 81.87 69.41 78.01 81.42 68.89 3 0 1000.00 -999 ? >ALA~A 134 80.38 79.96 64.95 81.69 79.26 65.28 81.03 79.61 65.12 2 0 1000.00 -999 ? >ARG~A 135 79.23 73.95 63.42 77.18 72.09 62.14 78.21 73.02 62.78 2 0 1000.00 -999 ? >ALA~A 136 75.51 79.53 62.51 74.71 79.80 63.75 75.11 79.67 63.13 2 0 1000.00 -999 ? >LEU~A 137 77.96 83.68 62.59 77.22 85.18 63.93 77.59 84.43 63.26 3 0 1000.00 -999 ? >TYR~A 138 81.68 79.79 58.54 83.64 79.36 56.59 82.66 79.57 57.56 3 0 1000.00 -999 ? >TYR~A 139 74.71 78.63 57.01 72.86 78.10 55.01 73.79 78.36 56.01 3 0 1000.00 -999 ? >SER~A 140 74.89 83.26 57.58 73.35 83.47 59.41 74.12 83.37 58.50 2 0 1000.00 -999 ? >GLY~A 141 77.82 85.06 56.00 77.56 84.32 55.78 77.69 84.69 55.89 1 0 1000.00 -999 ? >HIS~A 142 78.70 80.02 52.45 78.81 79.03 50.60 78.76 79.53 51.52 3 0 1000.00 -999 ? >VAL~A 143 74.89 82.88 52.26 73.02 81.83 52.66 73.96 82.35 52.46 3 0 1000.00 -999 ? >GLY~A 144 74.32 86.59 52.81 73.93 86.02 53.26 74.12 86.31 53.03 1 0 1000.00 -999 ? >GLU.A 145 70.04 84.31 56.42 69.87 82.24 56.69 69.95 83.28 56.56 2 0 1000.00 -999 ? >LYS.A 146 71.30 88.99 57.63 66.51 92.35 56.08 68.90 90.67 56.85 2 0 1000.00 -999 ? >ILE.A 147 74.03 89.44 61.67 75.39 89.49 62.19 74.71 89.46 61.93 3 0 1000.00 -999 ? >TYR.A 148 69.51 91.69 65.06 67.54 92.85 66.64 68.53 92.27 65.85 3 0 1000.00 -999 ? >ASP.A 149 66.46 92.13 60.44 65.73 93.75 59.31 66.10 92.94 59.88 2 0 1000.00 -999 ? >PRO.A 150 65.84 96.24 63.69 65.29 94.11 63.86 65.57 95.18 63.78 3 0 1000.00 -999 ? >ALA.A 151 62.11 94.33 61.65 62.13 95.47 60.63 62.12 94.90 61.14 2 0 1000.00 -999 ? >ILE.A 152 63.29 90.12 60.08 63.76 89.69 58.81 63.52 89.91 59.45 3 0 1000.00 -999 ? >ALA.A 153 60.93 88.93 64.26 59.56 89.23 64.87 60.25 89.08 64.56 2 0 1000.00 -999 ? >PRO.A 154 62.16 85.84 67.03 61.54 85.95 64.88 61.85 85.90 65.96 3 0 1000.00 -999 ? >ARG.A 155 60.95 82.85 60.40 62.81 81.50 58.37 61.88 82.18 59.38 2 0 1000.00 -999 ? >GLU.A 156 56.29 82.97 67.56 57.19 81.97 69.18 56.74 82.47 68.37 2 0 1000.00 -999 ? >HIS.A 157 52.80 79.69 64.71 52.07 81.65 64.77 52.44 80.67 64.74 3 0 1000.00 -999 ? >MET?A 158 56.49 77.52 60.76 60.51 78.61 61.19 58.50 78.07 60.97 2 0 1000.00 -999 ? >THR~A 159 56.03 74.71 58.26 54.44 75.55 57.04 55.23 75.13 57.65 2 0 1000.00 -999 ? >ARG~A 160 60.36 69.14 56.45 62.66 68.20 54.62 61.51 68.67 55.54 2 0 1000.00 -999 ? >GLU~A 161 57.07 73.90 51.80 56.11 74.70 50.07 56.59 74.30 50.93 2 0 1000.00 -999 ? >GLN~A 162 56.55 78.68 56.24 55.51 79.76 57.77 56.03 79.22 57.00 2 0 1000.00 -999 ? >TYR~A 163 63.13 75.20 59.13 65.70 74.82 60.17 64.42 75.01 59.65 3 0 1000.00 -999 ? >ARG~A 164 64.48 71.75 52.90 62.48 70.38 51.00 63.48 71.07 51.95 2 0 1000.00 -999 ? >HIS~A 165 61.31 78.36 49.89 60.64 79.96 48.71 60.98 79.16 49.30 3 0 1000.00 -999 ? >GLN~A 166 60.98 82.94 54.59 59.18 83.55 55.58 60.08 83.25 55.09 2 0 1000.00 -999 ? >PRO.A 167 66.09 82.65 52.58 64.87 82.62 54.44 65.48 82.64 53.51 3 0 1000.00 -999 ? >GLY.A 168 65.65 84.59 58.24 66.42 84.38 57.91 66.03 84.49 58.07 1 0 1000.00 -999 ? >THR.A 169 68.38 86.27 60.31 67.49 87.94 61.31 67.93 87.11 60.81 2 0 1000.00 -999 ? >ALA.A 170 71.43 84.69 61.97 72.82 85.26 61.91 72.13 84.97 61.94 2 0 1000.00 -999 ? >ILE~A 171 69.77 87.32 65.74 70.78 87.44 66.73 70.27 87.38 66.23 3 0 1000.00 -999 ? >ASN~A 172 65.59 84.86 63.52 64.66 86.73 63.70 65.13 85.79 63.61 2 0 1000.00 -999 ? >HIS~A 173 69.63 79.47 62.85 69.76 77.50 62.15 69.69 78.48 62.50 3 0 1000.00 -999 ? >PHE~A 174 71.07 81.75 68.32 73.75 81.83 67.61 72.41 81.79 67.96 3 0 1000.00 -999 ? >TYR~A 175 65.21 83.89 69.47 66.24 85.83 71.19 65.72 84.86 70.33 3 0 1000.00 -999 ? >GLU~A 176 62.88 80.78 64.14 63.37 81.93 62.45 63.13 81.35 63.29 2 0 1000.00 -999 ? >LYS~A 177 66.24 76.27 66.32 69.98 72.72 62.74 68.11 74.49 64.53 2 0 1000.00 -999 ? >LEU.A 178 70.45 77.48 68.36 71.92 77.24 66.75 71.18 77.36 67.55 3 0 1000.00 -999 ? >PHE.A 179 67.43 79.88 72.10 68.93 82.23 72.37 68.18 81.05 72.24 3 0 1000.00 -999 ? >LYS~A 180 65.01 74.44 71.15 61.05 76.42 66.85 63.03 75.43 69.00 2 0 1000.00 -999 ? >LEU~A 181 69.04 71.97 70.27 68.76 72.03 68.11 68.90 72.00 69.19 3 0 1000.00 -999 ? >ALA~A 182 68.76 70.75 74.54 69.28 71.71 75.61 69.02 71.23 75.07 2 0 1000.00 -999 ? >ALA~A 183 65.06 70.06 75.24 63.97 71.11 75.19 64.51 70.58 75.21 2 0 1000.00 -999 ? >LEU~A 184 64.71 68.20 70.86 63.03 69.28 69.99 63.87 68.74 70.42 3 0 1000.00 -999 ? >MET?A 185 67.93 65.83 73.33 70.73 67.09 72.20 69.33 66.46 72.76 2 0 1000.00 -999 ? >ASN~A 186 67.18 61.11 72.58 65.88 61.86 71.08 66.53 61.49 71.83 2 0 1000.00 -999 ? >THR~A 187 70.29 60.57 75.68 72.15 59.80 74.97 71.22 60.19 75.33 2 0 1000.00 -999 ? >ASP~A 188 70.55 60.69 80.56 70.40 61.81 82.37 70.47 61.25 81.46 2 0 1000.00 -999 ? >THR~A 189 74.29 62.20 78.60 76.12 61.12 78.23 75.20 61.66 78.42 2 0 1000.00 -999 ? >ALA~A 190 73.46 64.54 75.74 72.70 64.19 74.50 73.08 64.36 75.12 2 0 1000.00 -999 ? >LYS~A 191 70.87 66.44 77.79 64.89 64.46 78.65 67.88 65.45 78.22 2 0 1000.00 -999 ? >ALA~A 192 73.74 67.03 80.20 74.46 65.94 80.96 74.10 66.49 80.58 2 0 1000.00 -999 ? >LEU~A 193 76.85 67.30 76.48 78.86 67.17 75.68 77.85 67.24 76.08 3 0 1000.00 -999 ? >ALA~A 194 73.73 70.55 76.20 72.40 70.11 75.64 73.06 70.33 75.92 2 0 1000.00 -999 ? >ALA~A 195 73.19 72.43 79.46 73.30 71.83 80.84 73.25 72.13 80.15 2 0 1000.00 -999 ? >HIS~A 196 78.66 75.31 80.05 79.90 76.99 80.14 79.28 76.15 80.10 3 0 1000.00 -999 ? >ARG~A 197 77.85 71.58 73.69 79.65 69.68 72.13 78.75 70.63 72.91 2 0 1000.00 -999 ? >THR~A 198 73.11 76.25 75.70 71.08 75.52 75.41 72.09 75.88 75.56 2 0 1000.00 -999 ? >ALA~A 199 73.85 78.75 78.45 74.50 78.45 79.78 74.17 78.60 79.12 2 0 1000.00 -999 ? >VAL~A 200 76.75 79.93 76.25 78.65 79.11 75.51 77.70 79.52 75.88 3 0 1000.00 -999 ? >MET?A 201 74.35 80.74 73.41 73.27 77.64 70.96 73.81 79.19 72.19 2 0 1000.00 -999 ? >HIS~A 202 69.83 81.41 76.37 68.15 80.26 75.85 68.99 80.83 76.11 3 0 1000.00 -999 ? >GLU~A 203 75.63 83.74 79.20 77.05 82.50 80.19 76.34 83.12 79.69 2 0 1000.00 -999 ? >PHE~A 204 76.60 84.72 71.02 77.18 85.66 68.43 76.89 85.19 69.72 3 0 1000.00 -999 ? >VAL~A 205 72.59 86.52 72.30 70.95 85.58 71.21 71.77 86.05 71.76 3 0 1000.00 -999 ? >ASP~A 206 71.97 88.20 76.91 70.43 86.86 77.49 71.20 87.53 77.20 2 0 1000.00 -999 ? >GLN~A 207 77.40 90.17 76.43 77.74 92.28 76.67 77.57 91.22 76.55 2 0 1000.00 -999 ? >PHE~A 208 74.05 90.11 69.02 74.10 90.77 66.31 74.07 90.44 67.66 3 0 1000.00 -999 ? >LYS~A 209 71.01 92.57 71.63 66.04 89.25 70.72 68.53 90.91 71.18 2 0 1000.00 -999 ? >ALA~A 210 72.42 94.67 74.46 73.04 94.20 75.75 72.73 94.43 75.10 2 0 1000.00 -999 ? >GLU~A 211 77.69 94.50 72.81 79.10 93.14 72.02 78.39 93.82 72.42 2 0 1000.00 -999 ? >TRP~A 212 70.55 96.73 67.40 72.36 95.01 64.38 71.45 95.87 65.89 3 0 1000.00 -999 ? >THR~A 213 70.90 98.81 71.26 69.34 98.63 72.69 70.12 98.72 71.98 2 0 1000.00 -999 ? >ALA~A 214 73.75 100.60 72.98 74.80 99.95 73.89 74.28 100.28 73.43 2 0 1000.00 -999 ? >ASP~A 215 75.77 100.12 68.83 77.67 100.42 69.68 76.72 100.27 69.26 2 0 1000.00 -999 ? >MET?B 1 19.03 67.57 77.46 20.50 70.54 77.56 19.76 69.05 77.51 2 0 1000.00 -999 ? >ILE~B 2 20.67 64.33 74.20 20.98 64.20 72.75 20.83 64.26 73.47 3 0 1000.00 -999 ? >THR~B 3 18.71 61.41 77.31 16.56 61.34 77.36 17.63 61.38 77.34 2 0 1000.00 -999 ? >GLU~B 4 22.36 56.75 78.65 24.02 58.01 79.14 23.19 57.38 78.90 2 0 1000.00 -999 ? >THR~B 5 17.73 56.47 75.68 15.78 55.75 76.23 16.75 56.11 75.95 2 0 1000.00 -999 ? >GLN~B 6 15.97 60.73 73.75 15.54 62.81 74.01 15.76 61.77 73.88 2 0 1000.00 -999 ? >LEU~B 7 22.39 58.83 73.78 24.49 59.24 73.33 23.44 59.03 73.55 3 0 1000.00 -999 ? >THR~B 8 21.33 55.03 72.05 21.18 53.24 73.31 21.26 54.13 72.68 2 0 1000.00 -999 ? >ALA~B 9 18.50 55.50 69.55 17.21 56.26 69.79 17.86 55.88 69.67 2 0 1000.00 -999 ? >ILE~B 10 21.14 59.35 68.17 21.26 60.73 68.24 21.20 60.04 68.21 3 0 1000.00 -999 ? >GLN~B 11 25.29 54.04 68.59 25.88 52.73 70.17 25.58 53.38 69.38 2 0 1000.00 -999 ? >THR~B 12 21.21 52.90 66.31 19.75 51.60 67.20 20.48 52.25 66.75 2 0 1000.00 -999 ? >TYR~B 13 18.66 57.24 62.73 17.75 58.28 60.31 18.20 57.76 61.52 3 0 1000.00 -999 ? >ALA~B 14 23.35 56.39 62.64 24.37 57.00 63.57 23.86 56.69 63.10 2 0 1000.00 -999 ? >LEU~B 15 25.17 51.93 63.37 26.84 52.03 64.74 26.01 51.98 64.06 3 0 1000.00 -999 ? >GLN~B 16 19.90 50.32 60.94 20.61 49.57 62.81 20.26 49.94 61.87 2 0 1000.00 -999 ? >LYS~B 17 21.99 54.58 57.71 17.17 56.60 55.89 19.58 55.59 56.80 2 0 1000.00 -999 ? >LEU~B 18 26.72 54.76 58.11 27.11 56.85 57.83 26.92 55.81 57.97 3 0 1000.00 -999 ? >ALA~B 19 25.64 50.34 56.52 24.52 49.39 56.92 25.08 49.87 56.72 2 0 1000.00 -999 ? >HIS~B 20 24.70 48.32 52.99 23.58 46.88 54.03 24.14 47.60 53.51 3 0 1000.00 -999 ? >ASP~B 21 29.55 53.43 54.35 30.66 55.16 53.84 30.11 54.29 54.10 2 0 1000.00 -999 ? >HIS~B 22 30.64 49.90 50.34 29.73 48.20 51.16 30.19 49.05 50.75 3 0 1000.00 -999 ? >SER~B 23 33.36 55.45 51.12 31.70 56.87 52.16 32.53 56.16 51.64 2 0 1000.00 -999 ? >GLY~B 24 35.21 55.44 54.42 34.40 55.67 54.40 34.80 55.55 54.41 1 0 1000.00 -999 ? >HIS~B 25 32.56 58.68 55.31 33.91 60.10 54.56 33.23 59.39 54.93 3 0 1000.00 -999 ? >GLY~B 26 30.97 53.25 57.90 31.47 53.72 58.38 31.22 53.49 58.14 1 0 1000.00 -999 ? >ARG~B 27 27.98 49.19 60.90 27.38 47.82 63.61 27.68 48.51 62.25 2 0 1000.00 -999 ? >ASP~B 28 35.62 51.10 61.44 35.45 48.98 61.41 35.54 50.04 61.43 2 0 1000.00 -999 ? >HIS~B 29 34.23 57.57 60.02 34.20 59.67 59.93 34.21 58.62 59.98 3 0 1000.00 -999 ? >LEU~B 30 30.38 55.65 63.10 29.03 56.54 61.70 29.70 56.09 62.40 3 0 1000.00 -999 ? >GLN~B 31 31.99 51.95 66.07 31.93 50.07 67.06 31.96 51.01 66.56 2 0 1000.00 -999 ? >ARG~B 32 39.48 54.81 64.03 38.20 53.69 61.53 38.84 54.25 62.78 2 0 1000.00 -999 ? >VAL~B 33 35.11 59.26 66.17 34.23 60.72 64.79 34.67 59.99 65.48 3 0 1000.00 -999 ? >ASN~B 34 31.72 57.14 68.91 30.48 57.08 70.64 31.10 57.11 69.77 2 0 1000.00 -999 ? >ARG~B 35 38.11 54.31 70.80 38.18 52.26 68.51 38.15 53.28 69.65 2 0 1000.00 -999 ? >LEU~B 36 37.90 60.48 69.03 39.72 60.15 67.92 38.81 60.31 68.47 3 0 1000.00 -999 ? >ALA~B 37 34.53 62.47 71.06 33.16 62.37 70.40 33.84 62.42 70.73 2 0 1000.00 -999 ? >ARG~B 38 33.02 57.57 76.24 29.98 57.31 76.14 31.50 57.44 76.19 2 0 1000.00 -999 ? >ARG~B 39 41.34 60.90 75.30 44.25 61.89 75.51 42.79 61.39 75.41 2 0 1000.00 -999 ? >LEU~B 40 37.74 65.20 72.84 39.48 65.31 71.52 38.61 65.25 72.18 3 0 1000.00 -999 ? >ALA~B 41 34.43 65.89 75.73 33.08 65.18 75.52 33.76 65.54 75.63 2 0 1000.00 -999 ? >LYS~B 42 35.45 64.78 79.21 32.92 59.16 80.30 34.19 61.97 79.75 2 0 1000.00 -999 ? >ASP~B 43 39.91 66.17 77.98 41.20 64.57 78.47 40.55 65.37 78.22 2 0 1000.00 -999 ? >GLU~B 44 37.94 70.54 75.98 38.94 72.06 77.04 38.44 71.30 76.51 2 0 1000.00 -999 ? >GLY~B 45 34.03 69.30 80.40 34.04 69.38 79.54 34.03 69.34 79.97 1 0 1000.00 -999 ? >ALA~B 46 31.61 69.29 77.51 32.09 69.07 76.08 31.85 69.18 76.80 2 0 1000.00 -999 ? >ASN~B 47 26.82 68.80 77.10 25.12 67.53 77.04 25.97 68.17 77.07 2 0 1000.00 -999 ? >LEU~B 48 28.57 63.28 77.79 30.01 61.69 77.78 29.29 62.48 77.78 3 0 1000.00 -999 ? >ASN~B 49 23.86 63.16 76.02 23.92 61.57 77.42 23.89 62.37 76.72 2 0 1000.00 -999 ? >LEU~B 50 24.87 67.83 73.30 24.73 69.42 71.82 24.80 68.62 72.56 3 0 1000.00 -999 ? >THR~B 51 28.39 65.76 71.74 30.35 66.16 72.63 29.37 65.96 72.18 2 0 1000.00 -999 ? >LEU~B 52 28.02 60.91 71.81 29.65 60.35 73.08 28.83 60.63 72.45 3 0 1000.00 -999 ? >ALA~B 53 24.71 62.63 69.42 23.62 63.41 70.10 24.16 63.02 69.76 2 0 1000.00 -999 ? >ALA~B 54 26.08 65.24 67.04 26.51 66.67 67.39 26.30 65.95 67.21 2 0 1000.00 -999 ? >ALA~B 55 29.13 63.03 66.57 30.00 62.47 67.66 29.56 62.75 67.12 2 0 1000.00 -999 ? >TRP~B 56 26.18 58.75 68.89 28.24 55.58 67.81 27.21 57.17 68.35 3 0 1000.00 -999 ? >LEU~B 57 23.62 62.84 63.75 21.83 61.89 64.55 22.73 62.37 64.15 3 0 1000.00 -999 ? >HIS~B 58 29.44 65.40 60.35 30.46 66.06 58.63 29.95 65.73 59.49 3 0 1000.00 -999 ? >ASP~B 59 28.83 60.74 58.32 30.86 61.22 58.51 29.84 60.98 58.41 2 0 1000.00 -999 ? >VAL~B 60 24.30 60.83 58.05 22.76 60.06 59.35 23.53 60.44 58.70 3 0 1000.00 -999 ? >ILE~B 61 22.74 65.05 57.19 22.80 65.62 58.31 22.77 65.33 57.75 3 0 1000.00 -999 ? >LEU~B 65 28.26 60.84 52.26 30.08 61.01 53.17 29.17 60.93 52.71 3 0 1000.00 -999 ? >MET?B 66 24.66 61.82 50.38 23.39 59.98 52.87 24.02 60.90 51.62 2 0 1000.00 -999 ? >ALA~B 67 23.15 61.76 47.08 22.52 60.55 46.44 22.84 61.15 46.76 2 0 1000.00 -999 ? >ASN~B 68 18.62 63.02 48.04 17.06 64.47 48.23 17.84 63.74 48.14 2 0 1000.00 -999 ? >PRO~B 69 22.71 66.53 49.97 20.90 65.44 50.66 21.81 65.98 50.31 3 0 1000.00 -999 ? >ALA~B 70 17.52 67.28 51.59 16.72 67.77 50.40 17.12 67.53 50.99 2 0 1000.00 -999 ? >LYS~B 71 15.98 63.82 51.78 12.41 60.65 51.77 14.20 62.23 51.78 2 0 1000.00 -999 ? >ALA~B 72 18.55 62.98 54.42 20.06 63.00 54.22 19.31 62.99 54.32 2 0 1000.00 -999 ? >HIS~B 73 19.28 68.15 56.37 21.05 69.13 56.94 20.16 68.64 56.66 3 0 1000.00 -999 ? >GLN~B 74 12.76 64.50 54.33 12.10 64.96 52.36 12.43 64.73 53.34 2 0 1000.00 -999 ? >ASP~B 75 15.74 60.84 56.72 14.70 59.92 55.11 15.22 60.38 55.92 2 0 1000.00 -999 ? >LEU~B 76 18.27 63.39 60.62 19.59 63.51 62.35 18.93 63.45 61.48 3 0 1000.00 -999 ? >ILE~B 77 13.47 66.08 61.26 13.96 66.80 61.18 13.72 66.44 61.22 3 0 1000.00 -999 ? >VAL~B 78 11.59 62.07 61.45 10.59 61.08 59.74 11.09 61.57 60.59 3 0 1000.00 -999 ? >GLN~B 79 16.04 58.79 64.39 14.83 57.18 65.11 15.44 57.99 64.75 2 0 1000.00 -999 ? >LEU~B 80 15.43 64.10 66.01 17.52 64.54 66.09 16.48 64.32 66.05 3 0 1000.00 -999 ? >ASN~B 81 10.07 63.99 65.24 9.94 66.11 65.09 10.00 65.05 65.16 2 0 1000.00 -999 ? >ALA~B 82 10.13 59.84 66.77 10.43 58.75 65.79 10.28 59.30 66.28 2 0 1000.00 -999 ? >GLN~B 83 14.47 58.63 68.78 13.72 56.77 69.51 14.09 57.70 69.14 2 0 1000.00 -999 ? >ASN~B 84 10.23 62.50 72.71 8.71 61.02 72.36 9.47 61.76 72.54 2 0 1000.00 -999 ? >VAL~B 85 14.19 64.89 71.27 15.73 65.41 69.82 14.96 65.15 70.54 3 0 1000.00 -999 ? >THR~B 86 13.31 68.44 72.41 14.18 68.83 74.31 13.74 68.63 73.36 2 0 1000.00 -999 ? >ALA~B 87 13.12 71.35 69.97 12.11 72.49 70.00 12.61 71.92 69.99 2 0 1000.00 -999 ? >ASP~B 88 16.04 73.82 72.95 14.80 75.54 73.19 15.42 74.68 73.07 2 0 1000.00 -999 ? >ASP~B 89 17.65 68.71 72.33 18.02 68.88 74.39 17.83 68.79 73.36 2 0 1000.00 -999 ? >GLN~B 90 15.44 67.84 66.98 13.53 67.66 66.07 14.49 67.75 66.53 2 0 1000.00 -999 ? >THR~B 91 18.41 72.92 67.18 17.72 75.01 67.40 18.06 73.96 67.29 2 0 1000.00 -999 ? >ALA~B 92 21.68 72.32 69.04 21.82 72.08 70.55 21.75 72.21 69.80 2 0 1000.00 -999 ? >ILE~B 93 21.35 68.03 66.86 21.01 66.64 67.16 21.18 67.33 67.01 3 0 1000.00 -999 ? >PHE~B 94 20.03 70.24 62.38 18.44 68.11 61.53 19.23 69.17 61.95 3 0 1000.00 -999 ? >ALA~B 95 23.98 73.85 65.04 23.81 74.31 66.46 23.90 74.08 65.75 2 0 1000.00 -999 ? >ILE~B 96 27.14 70.37 66.14 27.79 69.73 67.24 27.46 70.05 66.69 3 0 1000.00 -999 ? >ILE~B 97 25.65 68.21 62.04 25.01 66.99 62.03 25.33 67.60 62.04 3 0 1000.00 -999 ? >ASP~B 98 24.43 72.30 59.53 23.06 70.72 59.11 23.74 71.51 59.32 2 0 1000.00 -999 ? >HIS~B 99 26.48 75.81 61.21 24.57 76.27 60.48 25.52 76.04 60.84 3 0 1000.00 -999 ? >MET?B 100 31.65 72.40 61.63 30.80 68.57 62.94 31.22 70.49 62.28 2 0 1000.00 -999 ? >SER~B 101 32.75 71.15 58.25 31.10 69.50 57.54 31.92 70.33 57.89 2 0 1000.00 -999 ? >PHE~B 102 38.22 72.33 55.62 40.44 73.49 54.40 39.33 72.91 55.01 3 0 1000.00 -999 ? >SER~B 103 33.87 72.96 53.45 31.84 71.64 53.85 32.85 72.30 53.65 2 0 1000.00 -999 ? >LYS~B 104 31.86 75.59 55.31 26.65 75.36 56.44 29.25 75.47 55.87 2 0 1000.00 -999 ? >SER~B 105 34.80 77.52 56.81 36.78 76.19 56.31 35.79 76.85 56.56 2 0 1000.00 -999 ? >PHE~B 106 36.26 77.04 51.83 38.13 74.97 51.54 37.20 76.01 51.69 3 0 1000.00 -999 ? >ASN~B 107 30.76 80.38 53.75 30.25 78.97 52.22 30.50 79.67 52.99 2 0 1000.00 -999 ? >GLY~B 108 34.09 82.79 56.38 33.89 82.00 56.50 33.99 82.40 56.44 1 0 1000.00 -999 ? >PRO~B 109 35.75 84.22 60.10 34.85 82.30 59.41 35.30 83.26 59.75 3 0 1000.00 -999 ? >GLN~B 110 31.05 79.74 59.72 30.82 77.97 58.55 30.94 78.85 59.14 2 0 1000.00 -999 ? >LYS~B 111 32.02 80.30 65.85 32.36 84.91 69.30 32.19 82.61 67.57 2 0 1000.00 -999 ? >LEU~B 112 31.99 75.80 66.82 31.38 74.39 65.32 31.68 75.09 66.07 3 0 1000.00 -999 ? >SER~B 113 29.91 75.40 70.68 27.62 74.79 70.11 28.76 75.10 70.39 2 0 1000.00 -999 ? >LEU~B 114 32.24 73.62 74.55 33.89 73.11 75.86 33.07 73.37 75.20 3 0 1000.00 -999 ? >GLU~B 115 28.14 71.17 72.96 28.88 71.86 74.79 28.51 71.52 73.88 2 0 1000.00 -999 ? >GLY~B 116 30.85 71.47 68.50 31.46 71.39 69.08 31.16 71.43 68.79 1 0 1000.00 -999 ? >GLN~B 117 34.95 74.49 69.43 35.61 75.85 70.93 35.28 75.17 70.18 2 0 1000.00 -999 ? >VAL~B 118 34.75 68.63 70.25 34.58 67.77 72.24 34.67 68.20 71.25 3 0 1000.00 -999 ? >VAL~B 119 32.79 66.88 67.49 30.62 66.72 67.19 31.70 66.80 67.34 3 0 1000.00 -999 ? >GLN~B 120 36.01 70.65 63.74 36.04 72.75 63.42 36.03 71.70 63.58 2 0 1000.00 -999 ? >ASP~B 121 38.66 68.31 67.90 39.26 70.32 67.93 38.96 69.31 67.92 2 0 1000.00 -999 ? >ALA~B 122 37.10 64.26 66.83 35.89 63.79 67.59 36.50 64.03 67.21 2 0 1000.00 -999 ? >ASP~B 123 34.88 64.79 62.57 33.99 63.75 60.98 34.43 64.27 61.78 2 0 1000.00 -999 ? >ARG~B 124 38.84 69.46 61.46 37.71 72.24 60.82 38.27 70.85 61.14 2 0 1000.00 -999 ? >LEU~B 125 41.12 63.53 65.67 42.49 64.38 67.08 41.81 63.95 66.38 3 0 1000.00 -999 ? >ASP~B 126 38.92 59.94 62.46 38.98 57.85 62.13 38.95 58.90 62.29 2 0 1000.00 -999 ? >ALA~B 127 41.05 62.19 58.83 40.10 63.28 58.34 40.58 62.74 58.59 2 0 1000.00 -999 ? >ILE~B 128 45.19 63.74 60.13 44.85 64.87 61.03 45.02 64.31 60.58 3 0 1000.00 -999 ? >GLY~B 129 47.51 60.11 60.42 47.08 60.16 59.63 47.29 60.13 60.03 1 0 1000.00 -999 ? >ALA~B 130 47.87 56.75 58.66 48.47 55.53 59.31 48.17 56.14 58.99 2 0 1000.00 -999 ? >ILE~B 131 43.33 56.35 60.29 42.32 55.79 61.16 42.82 56.07 60.73 3 0 1000.00 -999 ? >GLY~B 132 43.47 59.60 57.22 43.95 58.92 56.99 43.71 59.26 57.11 1 0 1000.00 -999 ? >ILE~B 133 47.22 57.94 54.55 48.62 57.92 54.33 47.92 57.93 54.44 3 0 1000.00 -999 ? >ALA~B 134 43.91 55.26 54.03 43.75 54.22 55.13 43.83 54.74 54.58 2 0 1000.00 -999 ? >ARG~B 135 38.91 57.36 57.62 36.97 59.72 57.57 37.94 58.54 57.59 2 0 1000.00 -999 ? >ALA~B 136 41.49 59.72 51.98 42.77 60.51 52.14 42.13 60.12 52.06 2 0 1000.00 -999 ? >LEU~B 137 43.93 56.95 48.79 45.73 58.06 48.44 44.83 57.50 48.62 3 0 1000.00 -999 ? >TYR~B 138 38.62 53.32 51.26 36.56 51.43 51.41 37.59 52.38 51.33 3 0 1000.00 -999 ? >TYR~B 139 36.22 59.85 49.35 34.21 61.48 48.38 35.21 60.66 48.87 3 0 1000.00 -999 ? >SER~B 140 39.09 58.52 45.78 40.89 59.89 46.59 39.99 59.21 46.18 2 0 1000.00 -999 ? >GLY~B 141 38.83 54.89 44.75 38.21 55.48 45.01 38.52 55.19 44.88 1 0 1000.00 -999 ? >HIS~B 142 33.20 55.46 47.16 31.11 55.53 47.22 32.15 55.49 47.19 3 0 1000.00 -999 ? >VAL~B 143 34.42 58.13 43.73 33.90 60.16 44.40 34.16 59.14 44.07 3 0 1000.00 -999 ? >GLY~B 144 36.79 57.61 40.82 36.94 58.21 41.35 36.86 57.91 41.09 1 0 1000.00 -999 ? >GLU~B 145 38.97 62.81 43.14 39.09 63.33 45.18 39.03 63.07 44.16 2 0 1000.00 -999 ? >LYS~B 146 42.29 61.29 40.23 42.83 64.75 35.72 42.56 63.02 37.97 2 0 1000.00 -999 ? >ILE~B 147 46.08 59.15 42.53 46.36 57.84 43.05 46.22 58.49 42.79 3 0 1000.00 -999 ? >TYR~B 148 50.19 63.52 41.64 52.34 65.29 41.63 51.27 64.40 41.63 3 0 1000.00 -999 ? >ASP~B 149 47.08 65.85 37.75 46.98 66.08 35.62 47.03 65.97 36.69 2 0 1000.00 -999 ? >PRO~B 150 52.52 65.63 36.97 51.21 66.83 38.31 51.87 66.23 37.64 3 0 1000.00 -999 ? >ALA~B 151 49.96 69.65 35.89 49.27 69.15 34.63 49.61 69.40 35.26 2 0 1000.00 -999 ? >ILE~B 152 45.99 69.43 38.61 44.62 69.05 38.33 45.31 69.24 38.47 3 0 1000.00 -999 ? >ALA~B 153 48.40 72.18 41.46 49.35 73.37 41.31 48.88 72.78 41.38 2 0 1000.00 -999 ? >PRO~B 154 48.81 72.31 45.65 47.07 72.40 44.27 47.94 72.36 44.96 3 0 1000.00 -999 ? >ARG~B 155 41.36 73.01 43.97 38.79 71.41 44.45 40.07 72.21 44.21 2 0 1000.00 -999 ? >GLU~B 156 47.09 78.08 46.83 47.82 77.06 48.55 47.45 77.57 47.69 2 0 1000.00 -999 ? >HIS~B 157 42.76 81.89 46.00 44.12 82.07 44.40 43.44 81.98 45.20 3 0 1000.00 -999 ? >MET?B 158 38.79 77.74 47.38 40.19 73.80 48.23 39.49 75.77 47.81 2 0 1000.00 -999 ? >THR~B 159 35.10 78.49 47.88 34.79 79.66 46.09 34.95 79.08 46.98 2 0 1000.00 -999 ? >ARG~B 160 29.84 75.22 51.05 28.50 73.08 52.80 29.17 74.15 51.92 2 0 1000.00 -999 ? >GLU~B 161 29.57 77.12 45.16 28.72 78.29 43.63 29.15 77.71 44.40 2 0 1000.00 -999 ? >GLN~B 162 35.69 77.07 43.59 37.57 78.02 43.23 36.63 77.55 43.41 2 0 1000.00 -999 ? >TYR~B 163 36.11 71.68 49.47 36.69 69.50 51.13 36.40 70.59 50.30 3 0 1000.00 -999 ? >ARG~B 164 29.39 69.85 49.39 27.26 71.81 48.35 28.33 70.83 48.87 2 0 1000.00 -999 ? >HIS~B 165 30.79 71.64 41.20 30.78 71.44 39.11 30.78 71.54 40.15 3 0 1000.00 -999 ? >GLN~B 166 37.07 72.09 40.64 37.79 73.89 39.77 37.43 72.99 40.20 2 0 1000.00 -999 ? >PRO~B 167 35.05 66.71 41.02 36.48 68.15 41.90 35.77 67.43 41.46 3 0 1000.00 -999 ? >GLY~B 168 40.64 67.87 42.84 40.28 67.08 42.86 40.46 67.47 42.85 1 0 1000.00 -999 ? >THR~B 169 43.37 65.25 42.98 45.13 66.13 42.12 44.25 65.69 42.55 2 0 1000.00 -999 ? >ALA~B 170 43.83 62.91 45.93 44.06 61.43 45.83 43.95 62.17 45.88 2 0 1000.00 -999 ? >ILE~B 171 48.52 64.29 45.86 49.62 63.61 46.67 49.07 63.95 46.27 3 0 1000.00 -999 ? >ASN~B 172 45.31 68.53 45.31 46.51 68.83 43.57 45.91 68.68 44.44 2 0 1000.00 -999 ? >HIS~B 173 41.57 66.02 50.32 39.89 66.50 51.47 40.73 66.26 50.90 3 0 1000.00 -999 ? >PHE~B 174 47.45 64.48 51.88 46.77 61.78 52.08 47.11 63.13 51.98 3 0 1000.00 -999 ? >TYR~B 175 49.83 69.97 49.13 52.41 68.91 48.84 51.12 69.44 48.99 3 0 1000.00 -999 ? >GLU~B 176 43.89 71.70 47.87 42.64 71.02 46.32 43.26 71.36 47.10 2 0 1000.00 -999 ? >LYS~B 177 42.94 70.30 53.62 38.43 67.19 55.54 40.69 68.74 54.58 2 0 1000.00 -999 ? >LEU~B 178 44.65 66.06 55.13 42.96 64.81 54.63 43.81 65.44 54.88 3 0 1000.00 -999 ? >PHE~B 179 49.58 68.47 54.61 51.15 66.40 53.50 50.37 67.43 54.05 3 0 1000.00 -999 ? >LYS~B 180 45.97 72.11 58.00 44.20 74.72 52.64 45.08 73.41 55.32 2 0 1000.00 -999 ? >LEU~B 181 43.15 68.81 60.16 41.54 68.50 58.75 42.35 68.66 59.45 3 0 1000.00 -999 ? >ALA~B 182 46.14 69.87 63.31 47.42 69.02 63.30 46.78 69.45 63.31 2 0 1000.00 -999 ? >ALA~B 183 46.67 73.61 63.44 47.31 74.41 62.31 46.99 74.01 62.87 2 0 1000.00 -999 ? >LEU~B 184 42.11 73.95 62.12 42.09 75.46 60.55 42.10 74.71 61.34 3 0 1000.00 -999 ? >MET?B 185 42.33 71.54 66.13 41.83 68.37 65.55 42.08 69.95 65.84 2 0 1000.00 -999 ? >ASN~B 186 38.86 73.23 69.04 37.99 74.00 67.28 38.42 73.61 68.16 2 0 1000.00 -999 ? >THR~B 187 40.92 70.94 72.08 39.65 69.26 72.50 40.29 70.10 72.29 2 0 1000.00 -999 ? >ASP~B 188 44.64 71.54 75.24 45.02 73.62 75.29 44.83 72.58 75.26 2 0 1000.00 -999 ? >THR~B 189 44.19 67.25 74.12 43.18 65.83 75.38 43.68 66.54 74.75 2 0 1000.00 -999 ? >ALA~B 190 43.60 67.07 70.40 42.34 67.57 69.71 42.97 67.32 70.06 2 0 1000.00 -999 ? >LYS~B 191 46.32 69.49 69.31 45.89 75.75 70.18 46.10 72.62 69.75 2 0 1000.00 -999 ? >ALA~B 192 48.63 67.08 71.08 48.55 66.71 72.56 48.59 66.90 71.82 2 0 1000.00 -999 ? >LEU~B 193 45.76 63.52 69.64 45.53 61.42 69.91 45.65 62.47 69.78 3 0 1000.00 -999 ? >ALA~B 194 47.02 65.79 66.04 46.22 67.05 65.77 46.62 66.42 65.90 2 0 1000.00 -999 ? >ALA~B 195 50.75 66.28 66.61 51.33 66.82 67.91 51.04 66.55 67.26 2 0 1000.00 -999 ? >HIS~B 196 52.93 60.53 66.92 54.22 59.00 66.27 53.57 59.76 66.60 3 0 1000.00 -999 ? >ARG~B 197 46.35 61.13 64.90 44.36 59.24 66.29 45.36 60.19 65.59 2 0 1000.00 -999 ? >THR~B 198 51.10 64.72 60.59 50.72 66.85 60.79 50.91 65.78 60.69 2 0 1000.00 -999 ? >ALA~B 199 54.59 63.31 60.16 55.45 62.81 61.29 55.02 63.06 60.73 2 0 1000.00 -999 ? >VAL~B 200 53.13 60.23 58.45 52.28 58.56 59.54 52.71 59.40 59.00 3 0 1000.00 -999 ? >MET?B 201 50.94 62.11 56.03 47.37 63.90 57.56 49.15 63.01 56.79 2 0 1000.00 -999 ? >HIS~B 202 54.10 66.62 55.96 53.06 68.43 56.06 53.58 67.53 56.01 3 0 1000.00 -999 ? >GLU~B 203 57.74 60.46 56.38 57.69 59.61 58.32 57.72 60.04 57.35 2 0 1000.00 -999 ? >PHE~B 204 51.09 58.94 51.66 49.51 57.93 49.57 50.30 58.43 50.61 3 0 1000.00 -999 ? >VAL~B 205 52.87 62.90 50.06 51.50 64.59 50.21 52.18 63.75 50.13 3 0 1000.00 -999 ? >ASP~B 206 57.53 63.67 51.07 57.17 65.67 51.72 57.35 64.67 51.39 2 0 1000.00 -999 ? >GLN~B 207 58.74 58.24 50.86 60.39 58.13 49.53 59.56 58.19 50.19 2 0 1000.00 -999 ? >PHE~B 208 52.29 59.83 45.79 50.56 59.49 43.60 51.43 59.66 44.70 3 0 1000.00 -999 ? >LYS~B 209 56.13 62.54 44.62 53.72 67.93 45.02 54.92 65.23 44.82 2 0 1000.00 -999 ? >ALA~B 210 59.67 61.28 44.99 60.37 60.94 46.31 60.02 61.11 45.65 2 0 1000.00 -999 ? >GLU~B 211 58.49 56.23 45.54 57.25 55.06 46.82 57.87 55.64 46.18 2 0 1000.00 -999 ? >TRP~B 212 55.19 61.62 38.88 51.48 60.44 38.31 53.34 61.03 38.60 3 0 1000.00 -999 ? >THR~B 213 59.25 61.66 39.58 60.11 63.62 39.99 59.68 62.64 39.78 2 0 1000.00 -999 ? >ALA~B 214 61.94 59.00 40.01 62.03 58.01 41.16 61.99 58.51 40.58 2 0 1000.00 -999 ? >ASP~B 215 58.65 56.40 37.61 58.37 55.11 39.25 58.51 55.75 38.43 2 0 1000.00 -999 ? >MET?C 1 60.43 39.63 16.77 62.40 37.36 18.29 61.41 38.50 17.53 2 0 1000.00 -999 ? >ILE~C 2 57.38 42.84 18.81 56.22 42.93 19.69 56.80 42.88 19.25 3 0 1000.00 -999 ? >THR~C 3 58.40 45.85 15.64 57.81 45.25 13.66 58.11 45.55 14.65 2 0 1000.00 -999 ? >GLU~C 4 59.26 51.87 17.09 60.57 51.92 18.76 59.91 51.90 17.92 2 0 1000.00 -999 ? >THR~C 5 55.13 50.43 14.88 54.81 51.53 13.02 54.97 50.98 13.95 2 0 1000.00 -999 ? >GLN~C 6 53.01 44.93 15.20 53.92 43.15 14.48 53.46 44.04 14.84 2 0 1000.00 -999 ? >LEU~C 7 55.72 48.57 20.23 56.37 48.16 22.25 56.05 48.36 21.24 3 0 1000.00 -999 ? >THR~C 8 52.58 51.45 19.51 53.60 52.67 18.07 53.09 52.06 18.79 2 0 1000.00 -999 ? >ALA~C 9 49.69 49.47 18.04 49.80 48.44 16.93 49.74 48.96 17.48 2 0 1000.00 -999 ? >ILE~C 10 50.93 46.58 21.70 51.52 45.34 22.06 51.22 45.96 21.88 3 0 1000.00 -999 ? >GLN~C 11 51.05 52.84 24.10 52.46 54.38 23.84 51.76 53.61 23.97 2 0 1000.00 -999 ? >THR~C 12 47.19 52.25 21.65 46.87 53.21 19.74 47.03 52.73 20.70 2 0 1000.00 -999 ? >TYR~C 13 44.52 46.67 22.23 42.69 44.81 23.22 43.61 45.74 22.72 3 0 1000.00 -999 ? >ALA~C 14 46.21 48.85 25.94 47.63 48.60 26.42 46.92 48.72 26.18 2 0 1000.00 -999 ? >LEU~C 15 46.09 53.69 26.33 47.85 54.54 27.22 46.97 54.12 26.78 3 0 1000.00 -999 ? >GLN~C 16 41.77 53.58 23.05 43.81 53.83 22.50 42.79 53.71 22.77 2 0 1000.00 -999 ? >LYS~C 17 40.96 49.32 27.01 37.64 47.38 24.53 39.30 48.35 25.77 2 0 1000.00 -999 ? >LEU~C 18 43.26 50.66 30.82 43.90 48.73 31.56 43.58 49.69 31.19 3 0 1000.00 -999 ? >ALA~C 19 40.40 54.53 29.93 40.10 55.24 28.62 40.25 54.88 29.28 2 0 1000.00 -999 ? >HIS~C 20 36.45 55.80 30.41 36.52 56.90 28.63 36.49 56.35 29.52 3 0 1000.00 -999 ? >ASP~C 21 40.83 52.17 34.72 41.24 50.59 36.10 41.04 51.38 35.41 2 0 1000.00 -999 ? >HIS~C 22 37.30 55.48 36.99 36.99 56.75 35.35 37.14 56.12 36.17 3 0 1000.00 -999 ? >SER~C 23 40.68 51.18 40.02 41.21 49.59 38.24 40.94 50.38 39.13 2 0 1000.00 -999 ? >GLY~C 24 44.36 52.08 40.09 44.10 51.78 39.40 44.23 51.93 39.74 1 0 1000.00 -999 ? >HIS~C 25 45.10 48.44 37.76 45.29 47.32 39.52 45.19 47.88 38.64 3 0 1000.00 -999 ? >GLY~C 26 44.96 53.64 34.38 45.73 53.42 34.60 45.35 53.53 34.49 1 0 1000.00 -999 ? >ARG~C 27 45.31 58.39 30.26 46.85 58.40 27.60 46.08 58.40 28.93 2 0 1000.00 -999 ? >ASP~C 28 49.09 57.62 35.97 48.07 59.37 35.38 48.58 58.50 35.67 2 0 1000.00 -999 ? >HIS~C 29 49.45 50.99 36.78 50.21 49.05 36.95 49.83 50.02 36.86 3 0 1000.00 -999 ? >LEU~C 30 49.49 51.97 31.46 48.09 50.41 30.97 48.79 51.19 31.22 3 0 1000.00 -999 ? >GLN~C 31 52.46 56.36 29.81 51.75 58.31 29.42 52.11 57.34 29.61 2 0 1000.00 -999 ? >ARG~C 32 54.18 56.52 37.80 51.31 55.76 38.49 52.75 56.14 38.15 2 0 1000.00 -999 ? >VAL~C 33 55.29 50.59 34.53 54.04 48.95 35.14 54.67 49.77 34.83 3 0 1000.00 -999 ? >ASN~C 34 55.33 51.98 29.97 56.18 52.19 28.06 55.75 52.09 29.02 2 0 1000.00 -999 ? >ARG~C 35 59.08 57.54 32.91 57.29 59.22 34.76 58.19 58.38 33.83 2 0 1000.00 -999 ? >LEU~C 36 59.50 50.92 35.69 59.39 51.95 37.60 59.44 51.43 36.64 3 0 1000.00 -999 ? >ALA~C 37 60.06 48.49 32.05 58.83 48.08 31.26 59.44 48.29 31.66 2 0 1000.00 -999 ? >ARG~C 38 60.24 53.38 27.78 60.95 53.21 24.81 60.60 53.30 26.29 2 0 1000.00 -999 ? >ARG~C 39 66.12 53.11 35.30 67.66 53.56 37.93 66.89 53.33 36.62 2 0 1000.00 -999 ? >LEU~C 40 63.67 47.35 33.89 62.99 47.78 35.89 63.33 47.57 34.89 3 0 1000.00 -999 ? >ALA~C 41 65.19 46.30 29.90 64.43 46.68 28.64 64.81 46.49 29.27 2 0 1000.00 -999 ? >LYS~C 42 68.56 48.00 29.43 66.96 53.80 27.55 67.76 50.90 28.49 2 0 1000.00 -999 ? >ASP~C 43 69.28 47.51 34.20 68.96 49.57 34.51 69.12 48.54 34.36 2 0 1000.00 -999 ? >GLU~C 44 68.16 43.10 33.62 69.60 42.23 34.89 68.88 42.67 34.25 2 0 1000.00 -999 ? >GLY~C 45 69.93 44.31 27.99 69.37 43.85 28.42 69.65 44.08 28.20 1 0 1000.00 -999 ? >ALA~C 46 66.68 42.46 27.28 65.68 42.16 28.39 66.18 42.31 27.84 2 0 1000.00 -999 ? >ASN~C 47 63.86 41.53 23.45 63.07 42.11 21.57 63.47 41.82 22.51 2 0 1000.00 -999 ? >LEU~C 48 63.29 47.33 24.07 63.47 49.33 24.86 63.38 48.33 24.47 3 0 1000.00 -999 ? >ASN~C 49 60.07 45.74 20.72 60.45 47.66 19.82 60.26 46.70 20.27 2 0 1000.00 -999 ? >LEU~C 50 59.65 41.09 23.44 58.43 39.42 24.10 59.04 40.25 23.77 3 0 1000.00 -999 ? >THR~C 51 59.20 43.66 27.11 60.97 43.94 28.29 60.08 43.80 27.70 2 0 1000.00 -999 ? >LEU~C 52 57.75 48.09 25.82 59.31 49.40 26.60 58.53 48.75 26.21 3 0 1000.00 -999 ? >ALA~C 53 54.71 44.84 24.73 55.02 43.84 23.62 54.86 44.34 24.18 2 0 1000.00 -999 ? >ALA~C 54 53.87 42.58 27.64 54.76 41.47 28.17 54.31 42.03 27.91 2 0 1000.00 -999 ? >ALA~C 55 54.21 45.56 29.97 55.36 46.55 29.94 54.78 46.05 29.95 2 0 1000.00 -999 ? >TRP~C 56 53.22 49.28 25.95 52.12 52.64 27.69 52.67 50.96 26.82 3 0 1000.00 -999 ? >LEU~C 57 49.45 43.52 27.11 49.50 43.96 25.07 49.47 43.74 26.09 3 0 1000.00 -999 ? >HIS~C 58 50.27 42.06 33.67 49.97 41.63 35.69 50.12 41.84 34.68 3 0 1000.00 -999 ? >ASP~C 59 47.43 45.52 33.23 47.48 45.88 35.30 47.46 45.70 34.27 2 0 1000.00 -999 ? >VAL~C 60 44.34 44.49 30.33 44.49 44.94 28.53 44.41 44.72 29.43 3 0 1000.00 -999 ? >ILE~C 61 44.02 40.29 30.84 45.28 40.04 30.18 44.65 40.16 30.51 3 0 1000.00 -999 ? >ASP~C 62 44.03 41.47 35.67 45.59 41.77 36.99 44.81 41.62 36.33 2 0 1000.00 -999 ? >MET?C 66 38.27 42.03 34.28 39.45 43.76 31.55 38.86 42.89 32.91 2 0 1000.00 -999 ? >ALA~C 67 34.88 40.70 34.54 33.65 41.41 34.11 34.27 41.06 34.33 2 0 1000.00 -999 ? >ASN~C 68 34.11 37.74 30.94 34.14 35.84 29.91 34.13 36.79 30.43 2 0 1000.00 -999 ? >PRO~C 69 38.86 36.53 33.99 38.24 37.09 31.94 38.55 36.81 32.96 3 0 1000.00 -999 ? >ALA~C 70 38.16 34.94 28.59 37.09 33.86 28.49 37.63 34.40 28.54 2 0 1000.00 -999 ? >LYS~C 71 36.51 37.82 26.72 34.20 39.44 22.95 35.36 38.63 24.83 2 0 1000.00 -999 ? >ALA~C 72 39.75 39.68 27.48 40.35 39.79 28.88 40.05 39.74 28.18 2 0 1000.00 -999 ? >HIS~C 73 43.15 35.41 27.49 44.41 34.87 29.08 43.78 35.14 28.28 3 0 1000.00 -999 ? >GLN~C 74 37.99 36.74 21.49 35.88 36.47 21.64 36.93 36.60 21.57 2 0 1000.00 -999 ? >ASP~C 75 39.15 41.27 22.82 37.08 40.83 22.99 38.12 41.05 22.90 2 0 1000.00 -999 ? >LEU~C 76 44.30 40.32 23.92 46.25 41.11 24.40 45.27 40.72 24.16 3 0 1000.00 -999 ? >ILE~C 77 43.80 36.31 20.34 43.94 34.91 20.71 43.87 35.61 20.52 3 0 1000.00 -999 ? >VAL~C 78 42.11 39.43 17.70 39.94 39.60 17.56 41.02 39.52 17.63 3 0 1000.00 -999 ? >GLN~C 79 44.85 44.87 19.22 44.61 46.14 17.52 44.73 45.51 18.37 2 0 1000.00 -999 ? >LEU~C 80 47.58 39.83 19.12 48.71 39.99 20.94 48.15 39.91 20.03 3 0 1000.00 -999 ? >ASN~C 81 45.16 38.45 14.69 45.50 36.44 15.32 45.33 37.44 15.00 2 0 1000.00 -999 ? >ALA~C 82 45.17 42.32 12.84 43.89 43.10 13.07 44.53 42.71 12.96 2 0 1000.00 -999 ? >GLN~C 83 47.80 45.17 15.55 47.45 46.94 14.43 47.62 46.06 14.99 2 0 1000.00 -999 ? >ASN~C 84 51.83 42.25 10.73 51.11 42.69 8.77 51.47 42.47 9.75 2 0 1000.00 -999 ? >VAL~C 85 51.62 39.81 14.94 50.57 38.99 16.64 51.10 39.40 15.79 3 0 1000.00 -999 ? >THR~C 86 53.81 36.72 14.72 55.91 37.24 14.96 54.86 36.98 14.84 2 0 1000.00 -999 ? >ALA~C 87 52.54 33.66 16.58 52.07 32.36 15.93 52.31 33.01 16.26 2 0 1000.00 -999 ? >ASP~C 88 57.28 33.10 17.37 57.25 31.20 16.46 57.27 32.15 16.92 2 0 1000.00 -999 ? >ASP~C 89 55.83 38.23 18.31 57.74 38.65 17.48 56.78 38.44 17.90 2 0 1000.00 -999 ? >GLN~C 90 50.49 36.66 18.88 48.39 36.23 18.73 49.44 36.45 18.80 2 0 1000.00 -999 ? >THR~C 91 53.17 33.13 22.65 53.51 31.04 22.15 53.34 32.08 22.40 2 0 1000.00 -999 ? >ALA~C 92 56.13 34.96 24.23 57.21 35.70 23.45 56.67 35.33 23.84 2 0 1000.00 -999 ? >ILE~C 93 52.67 38.35 24.28 52.00 39.49 23.70 52.34 38.92 23.99 3 0 1000.00 -999 ? >PHE~C 94 49.15 35.24 25.65 47.09 36.72 24.48 48.12 35.98 25.07 3 0 1000.00 -999 ? >ALA~C 95 54.27 33.51 28.40 55.55 33.11 27.67 54.91 33.31 28.03 2 0 1000.00 -999 ? >ILE~C 96 55.82 37.93 29.64 56.94 38.89 29.52 56.38 38.41 29.58 3 0 1000.00 -999 ? >ILE~C 97 51.03 38.91 29.82 50.40 40.18 29.39 50.72 39.54 29.60 3 0 1000.00 -999 ? >ASP~C 98 49.73 33.87 30.82 48.06 34.81 29.94 48.89 34.34 30.38 2 0 1000.00 -999 ? >HIS~C 99 53.32 31.51 32.74 52.25 30.10 31.61 52.78 30.81 32.17 3 0 1000.00 -999 ? >MET?C 100 54.00 36.54 36.34 53.83 40.26 34.10 53.91 38.40 35.22 2 0 1000.00 -999 ? >SER~C 101 51.20 38.10 38.42 49.28 37.04 37.35 50.24 37.57 37.88 2 0 1000.00 -999 ? >PHE~C 102 51.63 37.71 44.58 52.53 36.76 47.04 52.08 37.24 45.81 3 0 1000.00 -999 ? >SER~C 103 48.27 35.12 42.29 47.27 35.73 40.16 47.77 35.42 41.22 2 0 1000.00 -999 ? >LYS~C 104 50.06 32.47 40.20 49.00 31.43 35.01 49.53 31.95 37.61 2 0 1000.00 -999 ? >SER~C 105 52.99 32.16 42.63 52.69 33.94 44.27 52.84 33.05 43.45 2 0 1000.00 -999 ? >PHE~C 106 49.21 32.03 46.01 49.39 34.37 47.54 49.30 33.20 46.77 3 0 1000.00 -999 ? >ASN~C 107 49.93 27.70 40.78 47.80 27.79 40.99 48.87 27.75 40.88 2 0 1000.00 -999 ? >GLY~C 108 54.45 27.15 42.38 54.12 27.86 42.06 54.28 27.51 42.22 1 0 1000.00 -999 ? >PRO~C 109 58.53 28.55 42.80 56.74 29.19 41.64 57.63 28.87 42.22 3 0 1000.00 -999 ? >GLN~C 110 54.44 29.24 37.30 53.38 30.93 38.07 53.91 30.08 37.68 2 0 1000.00 -999 ? >LYS~C 111 60.43 30.38 36.15 64.79 26.61 36.84 62.61 28.49 36.49 2 0 1000.00 -999 ? >LEU~C 112 59.66 34.38 34.17 58.16 35.70 33.37 58.91 35.04 33.77 3 0 1000.00 -999 ? >SER~C 113 61.93 34.81 30.52 59.89 34.59 29.21 60.91 34.70 29.86 2 0 1000.00 -999 ? >LEU~C 114 65.69 37.89 30.12 67.32 39.27 30.52 66.51 38.58 30.32 3 0 1000.00 -999 ? >GLU~C 115 62.19 39.21 27.14 64.27 38.77 26.92 63.23 38.99 27.03 2 0 1000.00 -999 ? >GLY~C 116 59.50 38.53 31.49 60.23 38.91 31.78 59.87 38.72 31.63 1 0 1000.00 -999 ? >GLN~C 117 62.77 36.86 35.20 64.65 35.97 35.73 63.71 36.41 35.47 2 0 1000.00 -999 ? >VAL~C 118 61.99 42.61 33.64 63.37 43.55 32.24 62.68 43.08 32.94 3 0 1000.00 -999 ? >VAL~C 119 58.19 43.05 33.49 56.68 42.75 31.96 57.43 42.90 32.72 3 0 1000.00 -999 ? >GLN~C 120 57.64 39.74 38.64 58.06 37.75 39.21 57.85 38.75 38.92 2 0 1000.00 -999 ? >ASP~C 121 61.18 43.83 37.90 62.45 42.54 39.00 61.82 43.18 38.45 2 0 1000.00 -999 ? >ALA~C 122 58.57 46.99 36.76 58.73 47.35 35.28 58.65 47.17 36.02 2 0 1000.00 -999 ? >ASP~C 123 54.20 44.85 36.78 52.13 44.87 37.20 53.16 44.86 36.99 2 0 1000.00 -999 ? >ARG~C 124 56.10 41.40 41.59 55.80 38.37 41.72 55.95 39.89 41.66 2 0 1000.00 -999 ? >LEU~C 125 58.81 48.72 40.67 60.88 48.69 41.26 59.84 48.71 40.96 3 0 1000.00 -999 ? >ASP~C 126 54.17 50.80 39.56 53.46 52.78 39.43 53.81 51.79 39.49 2 0 1000.00 -999 ? >ALA~C 127 52.55 48.55 43.49 52.25 47.10 43.19 52.40 47.83 43.34 2 0 1000.00 -999 ? >ILE~C 128 56.04 48.25 46.67 57.00 47.33 46.30 56.52 47.79 46.48 3 0 1000.00 -999 ? >GLY~C 129 56.11 52.42 47.95 55.31 52.19 48.05 55.71 52.30 48.00 1 0 1000.00 -999 ? >ALA~C 130 54.05 55.53 48.54 54.56 56.95 48.55 54.31 56.24 48.54 2 0 1000.00 -999 ? >ILE~C 131 53.18 55.08 43.78 53.36 55.59 42.46 53.27 55.33 43.12 3 0 1000.00 -999 ? >GLY~C 132 51.92 51.42 46.09 51.65 52.12 46.48 51.79 51.77 46.28 1 0 1000.00 -999 ? >ILE~C 133 50.48 53.49 50.25 50.90 53.88 51.55 50.69 53.69 50.90 3 0 1000.00 -999 ? >ALA~C 134 47.84 54.86 47.17 48.38 56.02 46.34 48.11 55.44 46.75 2 0 1000.00 -999 ? >ARG~C 135 49.27 52.30 41.23 49.13 49.32 40.62 49.20 50.81 40.93 2 0 1000.00 -999 ? >ALA~C 136 46.49 49.68 47.19 47.40 49.51 48.37 46.95 49.59 47.78 2 0 1000.00 -999 ? >LEU~C 137 43.88 52.48 50.13 44.44 52.07 52.16 44.16 52.28 51.15 3 0 1000.00 -999 ? >TYR~C 138 42.41 54.82 43.83 41.12 56.12 41.74 41.76 55.47 42.79 3 0 1000.00 -999 ? >TYR~C 139 41.90 47.74 43.78 40.54 45.48 42.84 41.22 46.61 43.31 3 0 1000.00 -999 ? >SER~C 140 40.01 48.87 47.79 41.74 47.86 49.20 40.88 48.37 48.50 2 0 1000.00 -999 ? >GLY~C 141 37.84 51.97 47.98 37.98 51.48 47.32 37.91 51.73 47.65 1 0 1000.00 -999 ? >HIS~C 142 37.20 50.70 41.93 36.32 50.08 40.13 36.76 50.39 41.03 3 0 1000.00 -999 ? >VAL~C 143 35.59 47.92 45.63 36.66 46.14 44.88 36.13 47.03 45.25 3 0 1000.00 -999 ? >GLY~C 144 34.13 48.68 49.08 34.74 48.14 48.87 34.44 48.41 48.97 1 0 1000.00 -999 ? >GLU~C 145 38.70 44.80 50.17 40.44 44.73 49.01 39.57 44.76 49.59 2 0 1000.00 -999 ? >LYS~C 146 37.04 46.34 54.31 34.61 43.24 58.58 35.82 44.79 56.45 2 0 1000.00 -999 ? >ILE~C 147 40.10 49.93 55.33 40.51 51.33 55.03 40.30 50.63 55.18 3 0 1000.00 -999 ? >TYR~C 148 42.71 47.11 59.95 44.28 46.17 62.06 43.50 46.64 61.01 3 0 1000.00 -999 ? >ASP~C 149 38.71 43.49 60.19 37.13 42.82 61.41 37.92 43.15 60.80 2 0 1000.00 -999 ? >PRO~C 150 40.23 45.05 65.19 41.18 43.93 63.51 40.70 44.49 64.35 3 0 1000.00 -999 ? >ALA~C 151 39.44 40.45 63.89 37.93 40.55 64.03 38.68 40.50 63.96 2 0 1000.00 -999 ? >ILE~C 152 40.04 39.38 59.33 39.07 39.21 58.32 39.56 39.29 58.82 3 0 1000.00 -999 ? >ALA~C 153 44.43 38.11 60.56 45.08 37.00 61.38 44.76 37.56 60.97 2 0 1000.00 -999 ? >PRO~C 154 48.24 38.81 58.50 46.16 38.24 57.97 47.20 38.53 58.23 3 0 1000.00 -999 ? >ARG~C 155 43.22 36.09 53.85 42.17 37.10 51.14 42.69 36.60 52.49 2 0 1000.00 -999 ? >GLU~C 156 49.96 32.62 58.03 51.64 33.92 58.06 50.80 33.27 58.05 2 0 1000.00 -999 ? >HIS~C 157 49.59 28.05 54.68 49.23 27.41 56.65 49.41 27.73 55.66 3 0 1000.00 -999 ? >MET?C 158 46.58 30.86 50.48 45.96 34.94 49.69 46.27 32.90 50.08 2 0 1000.00 -999 ? >THR~C 159 45.56 29.31 47.18 43.86 28.18 47.88 44.71 28.75 47.53 2 0 1000.00 -999 ? >ARG~C 160 45.81 31.38 40.09 44.75 33.93 38.73 45.28 32.65 39.41 2 0 1000.00 -999 ? >GLU~C 161 40.45 28.75 42.93 38.69 27.56 42.91 39.57 28.15 42.92 2 0 1000.00 -999 ? >GLN~C 162 41.53 30.25 49.34 42.51 29.66 51.12 42.02 29.95 50.23 2 0 1000.00 -999 ? >TYR~C 163 45.54 36.24 45.86 46.62 38.62 44.88 46.08 37.43 45.37 3 0 1000.00 -999 ? >ARG~C 164 41.58 35.31 40.01 40.56 32.61 38.93 41.07 33.96 39.47 2 0 1000.00 -999 ? >HIS~C 165 35.92 33.65 45.33 34.01 33.53 46.20 34.96 33.59 45.76 3 0 1000.00 -999 ? >GLN~C 166 38.36 34.60 51.33 39.22 33.16 52.65 38.79 33.88 51.99 2 0 1000.00 -999 ? >PRO~C 167 35.67 38.68 49.55 37.82 38.30 50.03 36.75 38.49 49.79 3 0 1000.00 -999 ? >GLY~C 168 40.53 40.20 52.77 40.11 40.81 52.32 40.32 40.51 52.54 1 0 1000.00 -999 ? >THR~C 169 41.34 43.63 54.17 41.72 43.27 56.24 41.53 43.45 55.21 2 0 1000.00 -999 ? >ALA~C 170 43.25 46.35 52.35 42.78 47.77 52.12 43.01 47.06 52.23 2 0 1000.00 -999 ? >ILE~C 171 45.31 46.72 56.78 46.31 47.69 57.10 45.81 47.20 56.94 3 0 1000.00 -999 ? >ASN~C 172 45.09 41.64 55.48 44.67 41.39 57.57 44.88 41.51 56.53 2 0 1000.00 -999 ? >HIS~C 173 46.68 43.53 49.08 46.84 42.76 47.14 46.76 43.14 48.11 3 0 1000.00 -999 ? >PHE~C 174 50.02 46.94 53.01 48.94 49.31 52.01 49.48 48.12 52.51 3 0 1000.00 -999 ? >TYR~C 175 50.80 42.16 57.07 51.53 43.94 59.09 51.16 43.05 58.08 3 0 1000.00 -999 ? >GLU~C 176 47.51 38.37 53.02 45.43 38.53 52.79 46.47 38.45 52.91 2 0 1000.00 -999 ? >LYS~C 177 51.69 40.30 49.07 48.92 41.78 43.57 50.30 41.04 46.32 2 0 1000.00 -999 ? >LEU~C 178 51.86 45.15 49.53 50.93 46.14 47.81 51.39 45.64 48.67 3 0 1000.00 -999 ? >PHE~C 179 54.64 44.14 54.05 53.75 46.33 55.51 54.19 45.23 54.78 3 0 1000.00 -999 ? >LYS~C 180 56.97 40.37 49.79 52.76 36.07 51.65 54.87 38.22 50.72 2 0 1000.00 -999 ? >LEU~C 181 56.49 42.82 45.69 54.60 42.06 45.00 55.54 42.44 45.35 3 0 1000.00 -999 ? >ALA~C 182 60.78 43.56 47.32 60.94 44.54 48.46 60.86 44.05 47.89 2 0 1000.00 -999 ? >ALA~C 183 62.48 40.26 48.13 62.35 39.65 49.51 62.42 39.96 48.82 2 0 1000.00 -999 ? >LEU~C 184 59.72 38.16 44.95 58.68 36.42 45.67 59.20 37.29 45.31 3 0 1000.00 -999 ? >MET?C 185 62.24 41.41 42.64 60.42 44.33 42.03 61.33 42.87 42.33 2 0 1000.00 -999 ? >ASN~C 186 63.24 39.32 38.41 61.47 38.24 38.83 62.35 38.78 38.62 2 0 1000.00 -999 ? >THR~C 187 66.24 42.48 38.25 65.72 44.27 37.10 65.98 43.38 37.68 2 0 1000.00 -999 ? >ASP~C 188 70.40 43.66 39.81 71.39 42.07 40.79 70.90 42.87 40.30 2 0 1000.00 -999 ? >THR~C 189 68.42 47.62 39.84 68.90 48.95 38.22 68.66 48.28 39.03 2 0 1000.00 -999 ? >ALA~C 190 64.84 46.92 40.80 63.98 45.82 40.21 64.41 46.37 40.50 2 0 1000.00 -999 ? >LYS~C 191 65.99 45.48 44.12 68.28 39.57 44.02 67.13 42.53 44.07 2 0 1000.00 -999 ? >ALA~C 192 67.85 48.60 45.26 69.13 49.14 44.65 68.49 48.87 44.96 2 0 1000.00 -999 ? >LEU~C 193 64.33 50.56 42.68 63.97 52.44 41.69 64.15 51.50 42.19 3 0 1000.00 -999 ? >ALA~C 194 62.44 48.13 46.07 62.37 46.64 45.80 62.40 47.38 45.94 2 0 1000.00 -999 ? >ALA~C 195 64.33 48.74 49.30 65.86 48.75 49.41 65.10 48.74 49.35 2 0 1000.00 -999 ? >HIS~C 196 63.83 54.96 49.52 63.33 56.74 50.51 63.58 55.85 50.01 3 0 1000.00 -999 ? >ARG~C 197 59.27 52.20 44.88 58.93 53.30 42.03 59.10 52.75 43.45 2 0 1000.00 -999 ? >THR~C 198 59.43 49.10 51.45 59.89 46.98 51.78 59.66 48.04 51.62 2 0 1000.00 -999 ? >ALA~C 199 60.31 51.31 54.42 61.59 52.12 54.56 60.95 51.72 54.49 2 0 1000.00 -999 ? >VAL~C 200 57.38 53.65 53.69 57.31 55.33 52.29 57.34 54.49 52.99 3 0 1000.00 -999 ? >MET?C 201 54.76 50.91 53.55 54.60 48.57 50.13 54.68 49.74 51.84 2 0 1000.00 -999 ? >HIS~C 202 57.21 47.81 57.02 57.45 45.88 56.24 57.33 46.84 56.63 3 0 1000.00 -999 ? >GLU~C 203 57.89 54.93 58.29 59.50 55.14 56.91 58.70 55.03 57.60 2 0 1000.00 -999 ? >PHE~C 204 50.28 53.34 55.38 47.55 53.20 54.68 48.91 53.27 55.03 3 0 1000.00 -999 ? >VAL~C 205 51.01 50.00 58.46 51.01 48.05 57.51 51.01 49.03 57.99 3 0 1000.00 -999 ? >ASP~C 206 53.99 50.21 62.27 54.84 48.28 61.97 54.41 49.24 62.12 2 0 1000.00 -999 ? >GLN~C 207 52.98 55.77 61.42 52.51 56.96 63.11 52.74 56.37 62.27 2 0 1000.00 -999 ? >PHE~C 208 46.18 51.72 59.50 43.42 51.44 59.07 44.80 51.58 59.28 3 0 1000.00 -999 ? >LYS~C 209 47.61 50.07 63.74 49.45 44.91 61.76 48.53 47.49 62.75 2 0 1000.00 -999 ? >ALA~C 210 49.17 52.24 66.41 50.46 53.03 66.31 49.82 52.63 66.36 2 0 1000.00 -999 ? >GLU~C 211 47.40 56.97 64.25 47.82 57.67 62.28 47.61 57.32 63.26 2 0 1000.00 -999 ? >TRP~C 212 42.18 49.81 65.87 39.84 49.46 62.73 41.01 49.63 64.30 3 0 1000.00 -999 ? >THR~C 213 44.77 50.92 68.76 46.07 49.35 69.36 45.42 50.14 69.06 2 0 1000.00 -999 ? >ALA~C 214 45.19 54.32 70.40 46.00 55.47 69.85 45.60 54.90 70.13 2 0 1000.00 -999 ? >ASP~C 215 41.09 55.41 68.01 42.03 56.81 66.77 41.56 56.11 67.39 2 0 1000.00 -999 ? >MET?D 1 0.60 87.93 33.48 -0.30 85.36 31.13 0.15 86.65 32.30 2 0 1000.00 -999 ? >ILE~D 2 5.33 88.53 34.55 6.60 87.92 34.89 5.96 88.23 34.72 3 0 1000.00 -999 ? >THR~D 3 3.65 92.82 35.71 2.93 93.07 37.74 3.29 92.94 36.73 2 0 1000.00 -999 ? >GLU~D 4 7.36 96.90 32.96 7.24 96.81 30.85 7.30 96.86 31.90 2 0 1000.00 -999 ? >THR~D 5 6.84 96.38 38.27 5.74 97.82 39.45 6.29 97.10 38.86 2 0 1000.00 -999 ? >GLN~D 6 5.23 91.86 39.92 3.76 90.41 39.37 4.49 91.13 39.65 2 0 1000.00 -999 ? >LEU~D 7 9.57 92.82 34.88 11.00 92.41 33.28 10.28 92.61 34.08 3 0 1000.00 -999 ? >THR~D 8 11.87 95.73 37.05 11.55 97.76 36.38 11.71 96.75 36.71 2 0 1000.00 -999 ? >ALA~D 9 11.90 94.24 40.53 10.66 93.76 41.27 11.28 94.00 40.90 2 0 1000.00 -999 ? >ILE~D 10 12.80 89.84 38.62 12.22 88.48 38.39 12.51 89.16 38.50 3 0 1000.00 -999 ? >GLN~D 11 17.09 94.47 35.95 16.90 96.52 35.33 16.99 95.49 35.64 2 0 1000.00 -999 ? >THR~D 12 17.13 94.33 40.81 16.36 95.99 41.93 16.74 95.16 41.37 2 0 1000.00 -999 ? >TYR~D 13 16.15 88.89 43.74 16.71 86.53 45.15 16.43 87.71 44.45 3 0 1000.00 -999 ? >ALA~D 14 19.05 89.23 40.05 18.50 88.89 38.68 18.77 89.06 39.37 2 0 1000.00 -999 ? >LEU~D 15 21.20 93.54 39.46 21.27 94.47 37.50 21.23 94.01 38.48 3 0 1000.00 -999 ? >GLN~D 16 21.53 94.14 44.49 20.68 95.03 42.72 21.11 94.58 43.60 2 0 1000.00 -999 ? >LYS~D 17 22.57 88.30 43.64 20.62 85.04 47.49 21.59 86.67 45.57 2 0 1000.00 -999 ? >LEU~D 18 24.91 87.70 39.47 24.12 85.77 38.85 24.52 86.74 39.16 3 0 1000.00 -999 ? >ALA~D 19 26.89 91.03 42.22 26.25 92.15 43.03 26.57 91.59 42.63 2 0 1000.00 -999 ? >HIS~D 20 29.09 90.78 45.92 28.52 92.55 46.90 28.81 91.66 46.41 3 0 1000.00 -999 ? >ASP~D 21 29.77 87.91 39.46 29.51 86.23 38.20 29.64 87.07 38.83 2 0 1000.00 -999 ? >HIS~D 22 34.60 88.80 41.13 34.30 90.59 42.18 34.45 89.70 41.66 3 0 1000.00 -999 ? >SER~D 23 33.02 84.53 36.88 30.92 83.86 37.89 31.97 84.20 37.39 2 0 1000.00 -999 ? >GLY~D 24 31.67 86.15 33.72 31.18 85.99 34.32 31.42 86.07 34.02 1 0 1000.00 -999 ? >HIS~D 25 28.32 83.22 34.93 29.27 81.54 34.11 28.80 82.38 34.52 3 0 1000.00 -999 ? >GLY~D 26 27.65 89.34 35.81 27.43 89.24 35.09 27.54 89.29 35.45 1 0 1000.00 -999 ? >ARG~D 27 26.23 95.07 37.99 23.88 96.84 38.91 25.06 95.95 38.45 2 0 1000.00 -999 ? >ASP~D 28 29.05 92.87 31.16 30.04 94.24 32.43 29.54 93.55 31.79 2 0 1000.00 -999 ? >HIS~D 29 26.25 86.75 31.38 25.30 84.92 31.00 25.78 85.83 31.19 3 0 1000.00 -999 ? >LEU~D 30 22.60 89.78 33.78 22.51 88.13 35.19 22.56 88.96 34.49 3 0 1000.00 -999 ? >GLN~D 31 22.58 94.91 31.48 23.68 96.65 31.94 23.13 95.78 31.71 2 0 1000.00 -999 ? >ARG~D 32 27.40 91.69 26.09 29.16 89.97 27.93 28.28 90.83 27.01 2 0 1000.00 -999 ? >VAL~D 33 21.43 88.50 27.45 21.78 86.54 28.38 21.60 87.52 27.92 3 0 1000.00 -999 ? >ASN~D 34 18.64 91.68 29.71 17.02 93.04 29.79 17.83 92.36 29.75 2 0 1000.00 -999 ? >ARG~D 35 20.95 95.24 23.83 22.98 95.96 26.03 21.96 95.60 24.93 2 0 1000.00 -999 ? >LEU~D 36 20.40 88.75 23.44 21.92 88.17 22.04 21.16 88.46 22.74 3 0 1000.00 -999 ? >ALA~D 37 16.22 88.14 24.78 16.13 87.76 26.26 16.18 87.95 25.52 2 0 1000.00 -999 ? >ARG~D 38 13.85 95.03 25.21 11.62 94.80 27.28 12.73 94.91 26.24 2 0 1000.00 -999 ? >ARG~D 39 17.59 92.01 17.95 19.08 91.61 15.31 18.33 91.81 16.63 2 0 1000.00 -999 ? >LEU~D 40 15.40 86.66 20.57 17.31 86.45 19.57 16.36 86.55 20.07 3 0 1000.00 -999 ? >ALA~D 41 10.89 87.69 21.80 10.68 88.09 23.26 10.78 87.89 22.53 2 0 1000.00 -999 ? >LYS~D 42 9.41 90.60 19.81 10.69 96.26 22.41 10.05 93.43 21.11 2 0 1000.00 -999 ? >ASP~D 43 11.72 88.12 16.32 13.11 89.64 15.91 12.42 88.88 16.11 2 0 1000.00 -999 ? >GLU~D 44 10.30 83.94 17.86 9.80 82.84 16.13 10.05 83.39 17.00 2 0 1000.00 -999 ? >GLY~D 45 5.73 87.48 19.87 6.27 86.95 20.19 6.00 87.22 20.03 1 0 1000.00 -999 ? >ALA~D 46 6.69 85.56 23.02 8.10 85.08 23.35 7.40 85.32 23.19 2 0 1000.00 -999 ? >ASN~D 47 5.14 85.91 27.60 3.98 87.01 29.01 4.56 86.46 28.31 2 0 1000.00 -999 ? >LEU~D 48 7.95 91.07 26.53 9.46 92.59 26.12 8.70 91.83 26.33 3 0 1000.00 -999 ? >ASN~D 49 6.82 90.56 31.42 6.90 92.65 31.07 6.86 91.61 31.24 2 0 1000.00 -999 ? >LEU~D 50 6.76 85.05 30.92 6.60 82.94 31.42 6.68 83.99 31.17 3 0 1000.00 -999 ? >THR~D 51 10.87 85.67 29.14 10.87 85.48 26.97 10.87 85.58 28.06 2 0 1000.00 -999 ? >LEU~D 52 12.62 89.95 30.62 12.88 91.08 28.83 12.75 90.52 29.72 3 0 1000.00 -999 ? >ALA~D 53 12.04 87.36 34.14 10.61 87.16 34.64 11.32 87.26 34.39 2 0 1000.00 -999 ? >ALA~D 54 13.32 83.89 33.28 12.63 82.95 32.30 12.97 83.42 32.79 2 0 1000.00 -999 ? >ALA~D 55 16.33 85.45 31.54 16.22 86.32 30.28 16.28 85.89 30.91 2 0 1000.00 -999 ? >TRP~D 56 15.23 89.97 34.15 18.45 92.19 33.65 16.84 91.08 33.90 3 0 1000.00 -999 ? >LEU~D 57 15.55 83.98 37.84 14.36 85.15 39.22 14.96 84.56 38.53 3 0 1000.00 -999 ? >HIS~D 58 19.67 80.43 33.23 20.84 78.85 32.50 20.26 79.64 32.87 3 0 1000.00 -999 ? >ASP~D 59 23.16 83.34 35.64 23.99 82.57 33.84 23.57 82.95 34.74 2 0 1000.00 -999 ? >VAL~D 60 20.53 82.99 39.67 19.26 84.68 40.13 19.90 83.83 39.90 3 0 1000.00 -999 ? >ILE~D 61 18.52 78.76 40.26 17.35 78.60 39.61 17.93 78.68 39.93 3 0 1000.00 -999 ? >ASP~D 62 22.94 77.52 37.28 22.12 77.49 35.33 22.53 77.50 36.30 2 0 1000.00 -999 ? >ALA~D 72 18.79 79.19 45.87 19.55 78.74 44.62 19.17 78.96 45.24 2 0 1000.00 -999 ? >HIS~D 73 15.24 75.63 43.67 15.36 74.92 41.70 15.30 75.27 42.69 3 0 1000.00 -999 ? >GLN~D 74 14.84 78.90 51.11 15.94 78.28 52.82 15.39 78.59 51.96 2 0 1000.00 -999 ? >ASP~D 75 16.30 82.72 48.52 17.70 81.98 49.93 17.00 82.35 49.23 2 0 1000.00 -999 ? >LEU~D 76 13.82 81.97 43.91 13.76 82.99 41.99 13.79 82.48 42.95 3 0 1000.00 -999 ? >ILE~D 77 9.68 79.76 46.50 9.74 78.75 46.32 9.71 79.26 46.41 3 0 1000.00 -999 ? >VAL~D 78 9.80 83.76 48.80 10.38 83.22 50.82 10.09 83.49 49.81 3 0 1000.00 -999 ? >GLN~D 79 12.48 87.75 44.97 11.90 89.81 44.84 12.19 88.78 44.91 2 0 1000.00 -999 ? >LEU~D 80 8.52 84.72 43.67 9.81 84.24 42.00 9.16 84.48 42.83 3 0 1000.00 -999 ? >ASN~D 81 5.61 84.53 48.02 5.15 82.50 47.66 5.38 83.51 47.84 2 0 1000.00 -999 ? >ALA~D 82 6.30 88.79 48.18 7.54 89.06 48.66 6.92 88.92 48.42 2 0 1000.00 -999 ? >GLN~D 83 8.63 90.27 44.86 8.67 92.26 44.59 8.65 91.27 44.73 2 0 1000.00 -999 ? >ASN~D 84 2.15 90.53 44.69 1.82 90.55 46.92 1.98 90.54 45.80 2 0 1000.00 -999 ? >VAL~D 85 3.87 86.75 41.95 5.69 86.63 40.97 4.78 86.69 41.46 3 0 1000.00 -999 ? >THR~D 86 1.70 84.01 41.04 1.52 84.62 38.89 1.61 84.32 39.97 2 0 1000.00 -999 ? >GLN~D 90 7.08 81.17 41.53 6.73 81.52 43.57 6.90 81.35 42.55 2 0 1000.00 -999 ? >THR~D 91 5.96 77.85 38.80 4.39 76.33 38.56 5.17 77.09 38.68 2 0 1000.00 -999 ? >ALA~D 92 6.84 78.74 35.29 5.89 79.37 34.54 6.37 79.05 34.92 2 0 1000.00 -999 ? >ILE~D 93 10.11 82.17 36.27 10.47 83.58 36.42 10.29 82.87 36.34 3 0 1000.00 -999 ? >PHE~D 94 10.63 77.58 39.37 11.23 78.84 41.80 10.93 78.21 40.59 3 0 1000.00 -999 ? >ALA~D 95 9.64 75.37 34.04 8.28 75.56 33.39 8.96 75.47 33.72 2 0 1000.00 -999 ? >ILE~D 96 11.67 78.81 31.31 11.35 79.82 30.35 11.51 79.31 30.83 3 0 1000.00 -999 ? >ILE~D 97 14.88 79.12 35.08 15.48 80.20 35.87 15.18 79.66 35.48 3 0 1000.00 -999 ? >ASP~D 98 14.17 74.01 36.06 14.08 75.51 37.58 14.13 74.76 36.82 2 0 1000.00 -999 ? >HIS~D 99 12.33 71.40 32.17 11.17 70.22 33.46 11.75 70.81 32.81 3 0 1000.00 -999 ? >MET?D 100 17.04 74.33 29.31 17.13 78.46 30.06 17.09 76.39 29.68 2 0 1000.00 -999 ? >SER~D 101 20.54 74.28 30.83 20.28 73.25 33.02 20.41 73.76 31.92 2 0 1000.00 -999 ? >PHE~D 102 24.78 71.62 27.25 25.81 70.29 25.03 25.29 70.96 26.14 3 0 1000.00 -999 ? >SER~D 103 23.52 69.48 31.59 23.00 70.99 33.45 23.26 70.23 32.52 2 0 1000.00 -999 ? >LYS~D 104 19.80 68.62 31.44 16.33 70.16 35.34 18.06 69.39 33.39 2 0 1000.00 -999 ? >SER~D 105 20.23 67.71 27.74 22.30 68.61 26.83 21.26 68.16 27.29 2 0 1000.00 -999 ? >PHE~D 106 24.69 65.59 28.92 26.68 67.25 27.86 25.68 66.42 28.39 3 0 1000.00 -999 ? >ASN~D 107 18.38 63.93 31.25 19.48 64.39 33.02 18.93 64.16 32.14 2 0 1000.00 -999 ? >GLY~D 108 17.35 63.45 26.86 17.50 64.24 27.23 17.43 63.84 27.04 1 0 1000.00 -999 ? >PRO~D 109 14.80 64.51 23.41 15.86 65.56 25.06 15.33 65.03 24.24 3 0 1000.00 -999 ? >GLN~D 110 15.13 68.40 28.97 17.02 69.10 28.29 16.08 68.75 28.63 2 0 1000.00 -999 ? >LYS~D 111 10.64 70.32 25.21 6.27 67.46 22.96 8.46 68.89 24.08 2 0 1000.00 -999 ? >LEU~D 112 11.75 74.69 25.59 13.00 75.20 27.26 12.38 74.95 26.42 3 0 1000.00 -999 ? >SER~D 113 7.84 76.94 25.55 7.42 76.97 27.93 7.63 76.95 26.74 2 0 1000.00 -999 ? >LEU~D 114 7.04 80.71 22.57 7.08 81.77 20.67 7.06 81.24 21.62 3 0 1000.00 -999 ? >GLU~D 115 7.68 81.92 27.30 6.12 82.18 25.90 6.90 82.05 26.60 2 0 1000.00 -999 ? >GLY~D 116 11.74 79.25 27.07 11.72 79.64 26.32 11.73 79.45 26.69 1 0 1000.00 -999 ? >GLN~D 117 12.09 76.78 22.49 10.67 76.24 21.01 11.38 76.51 21.75 2 0 1000.00 -999 ? >VAL~D 118 13.77 82.46 23.54 12.36 84.03 22.97 13.07 83.24 23.26 3 0 1000.00 -999 ? >VAL~D 119 15.39 82.44 26.98 14.54 82.44 28.99 14.96 82.44 27.99 3 0 1000.00 -999 ? >GLN~D 120 18.25 77.34 24.85 17.38 75.50 24.22 17.81 76.42 24.53 2 0 1000.00 -999 ? >ASP~D 121 17.95 82.05 21.56 17.31 80.36 20.47 17.63 81.20 21.01 2 0 1000.00 -999 ? >ALA~D 122 19.45 84.83 24.71 18.47 85.46 25.66 18.96 85.15 25.18 2 0 1000.00 -999 ? >ASP~D 123 21.00 82.04 28.29 22.41 81.24 29.64 21.70 81.64 28.96 2 0 1000.00 -999 ? >ARG~D 124 21.48 77.21 24.05 21.03 74.18 24.39 21.26 75.70 24.22 2 0 1000.00 -999 ? >LEU~D 125 23.32 84.48 21.60 21.88 84.43 19.97 22.60 84.45 20.78 3 0 1000.00 -999 ? >ASP~D 126 25.89 85.75 25.99 27.14 87.35 26.54 26.52 86.55 26.26 2 0 1000.00 -999 ? >ALA~D 127 28.16 81.67 25.45 27.43 80.43 25.96 27.80 81.05 25.70 2 0 1000.00 -999 ? >ILE~D 128 28.79 80.87 20.90 27.66 80.19 20.38 28.22 80.53 20.64 3 0 1000.00 -999 ? >GLY~D 129 31.50 83.94 19.52 31.83 83.61 20.25 31.67 83.78 19.89 1 0 1000.00 -999 ? >ALA~D 130 34.60 85.92 20.49 35.12 87.19 19.83 34.86 86.56 20.16 2 0 1000.00 -999 ? >ILE~D 131 31.10 87.36 23.53 30.23 88.49 24.13 30.67 87.93 23.83 3 0 1000.00 -999 ? >GLY~D 132 31.79 83.14 24.60 32.52 83.53 24.38 32.15 83.34 24.49 1 0 1000.00 -999 ? >ILE~D 133 36.39 82.82 22.92 37.33 82.43 21.88 36.86 82.63 22.40 3 0 1000.00 -999 ? >ALA~D 134 36.34 85.53 26.25 35.79 86.92 25.98 36.06 86.22 26.11 2 0 1000.00 -999 ? >ARG~D 135 30.50 85.62 28.38 28.38 84.09 29.89 29.44 84.86 29.14 2 0 1000.00 -999 ? >ALA~D 136 34.79 80.71 28.63 34.90 80.00 27.30 34.84 80.35 27.97 2 0 1000.00 -999 ? >LEU~D 137 39.49 81.66 28.56 40.53 80.25 27.34 40.01 80.96 27.95 3 0 1000.00 -999 ? >TYR~D 138 36.55 86.35 32.62 36.51 88.52 34.38 36.53 87.43 33.50 3 0 1000.00 -999 ? >TYR~D 139 33.72 79.70 34.29 32.71 77.92 36.17 33.22 78.81 35.23 3 0 1000.00 -999 ? >SER~D 140 38.25 78.87 33.84 37.72 77.78 31.78 37.98 78.32 32.81 2 0 1000.00 -999 ? >GLY~D 141 40.77 81.36 35.19 40.01 81.12 35.52 40.39 81.24 35.35 1 0 1000.00 -999 ? >HIS~D 142 36.32 83.01 39.22 35.37 83.43 41.04 35.85 83.22 40.13 3 0 1000.00 -999 ? >VAL~D 143 38.01 78.51 38.87 36.21 77.26 38.60 37.11 77.89 38.73 3 0 1000.00 -999 ? >GLY~D 144 41.69 77.85 38.17 40.97 77.49 37.89 41.33 77.67 38.03 1 0 1000.00 -999 ? >GLU~D 145 38.85 74.23 34.00 36.86 74.41 33.29 37.85 74.32 33.65 2 0 1000.00 -999 ? >LYS~D 146 43.06 73.49 33.42 45.04 67.92 33.77 44.05 70.70 33.60 2 0 1000.00 -999 ? >ILE~D 147 43.90 76.31 29.47 44.04 77.68 28.90 43.97 76.99 29.18 3 0 1000.00 -999 ? >TYR~D 148 44.97 71.92 25.52 45.23 70.07 23.46 45.10 70.99 24.49 3 0 1000.00 -999 ? >ASP~D 149 45.06 68.22 29.49 46.64 67.07 30.33 45.85 67.64 29.91 2 0 1000.00 -999 ? >PRO~D 150 48.00 66.82 25.25 45.81 67.04 25.51 46.90 66.93 25.38 3 0 1000.00 -999 ? >ALA~D 151 45.92 63.53 27.19 46.86 63.38 28.38 46.39 63.45 27.79 2 0 1000.00 -999 ? >ILE~D 152 42.13 65.50 29.39 41.87 65.86 30.74 42.00 65.68 30.06 3 0 1000.00 -999 ? >ALA~D 153 40.30 63.94 25.13 40.31 62.68 24.29 40.30 63.31 24.71 2 0 1000.00 -999 ? >PRO~D 154 37.30 66.02 22.89 37.49 65.35 25.03 37.40 65.69 23.96 3 0 1000.00 -999 ? >ARG~D 155 34.42 64.93 29.73 34.06 66.42 32.37 34.24 65.67 31.05 2 0 1000.00 -999 ? >GLU~D 156 33.54 60.54 22.59 33.65 62.08 21.15 33.59 61.31 21.87 2 0 1000.00 -999 ? >HIS~D 157 29.30 58.38 24.91 30.76 57.33 23.82 30.03 57.86 24.37 3 0 1000.00 -999 ? >MET?D 158 28.39 62.75 29.10 30.65 66.31 29.15 29.52 64.53 29.13 2 0 1000.00 -999 ? >THR~D 159 25.93 62.31 31.93 26.73 60.57 32.96 26.33 61.44 32.45 2 0 1000.00 -999 ? >ARG~D 160 21.05 66.13 35.72 20.41 69.01 36.59 20.73 67.57 36.16 2 0 1000.00 -999 ? >GLU~D 161 25.13 62.87 38.02 25.00 61.42 39.57 25.06 62.15 38.80 2 0 1000.00 -999 ? >GLN~D 162 29.86 61.32 33.06 30.61 60.44 31.25 30.24 60.88 32.15 2 0 1000.00 -999 ? >TYR~D 163 27.95 68.83 31.79 27.83 71.52 31.00 27.89 70.18 31.40 3 0 1000.00 -999 ? >ARG~D 164 24.76 69.80 37.38 23.28 68.41 39.67 24.02 69.11 38.53 2 0 1000.00 -999 ? >HIS~D 165 31.67 64.87 40.31 33.34 63.96 41.19 32.51 64.42 40.75 3 0 1000.00 -999 ? >GLN~D 166 35.04 63.98 35.29 34.97 62.18 34.16 35.01 63.08 34.73 2 0 1000.00 -999 ? >PRO~D 167 37.23 68.22 37.57 35.63 67.89 36.03 36.43 68.05 36.80 3 0 1000.00 -999 ? >GLY~D 168 37.72 69.01 32.41 37.66 69.71 32.79 37.69 69.36 32.60 1 0 1000.00 -999 ? >THR~D 169 39.86 71.35 30.32 41.05 70.01 29.11 40.46 70.68 29.71 2 0 1000.00 -999 ? >ALA~D 170 38.75 74.79 29.08 39.53 76.09 29.26 39.14 75.44 29.17 2 0 1000.00 -999 ? >ILE~D 171 40.60 72.93 24.98 41.04 73.87 23.91 40.82 73.40 24.45 3 0 1000.00 -999 ? >ASN~D 172 37.44 69.32 26.83 38.99 67.96 26.32 38.21 68.64 26.58 2 0 1000.00 -999 ? >HIS~D 173 33.04 74.31 28.38 31.13 74.81 29.09 32.08 74.56 28.73 3 0 1000.00 -999 ? >PHE~D 174 35.54 75.80 22.95 36.10 78.52 23.43 35.82 77.16 23.19 3 0 1000.00 -999 ? >TYR~D 175 36.16 69.51 21.21 38.15 70.03 19.31 37.15 69.77 20.26 3 0 1000.00 -999 ? >GLU~D 176 32.90 67.64 26.35 34.14 67.57 28.10 33.52 67.61 27.22 2 0 1000.00 -999 ? >LYS~D 177 29.06 72.15 24.74 26.51 75.38 29.52 27.78 73.77 27.13 2 0 1000.00 -999 ? >LEU~D 178 30.95 76.25 22.98 31.16 77.49 24.74 31.06 76.87 23.86 3 0 1000.00 -999 ? >PHE~D 179 32.77 73.23 19.01 35.38 74.18 18.73 34.07 73.71 18.87 3 0 1000.00 -999 ? >LYS~D 180 26.82 72.46 19.67 28.29 66.89 22.16 27.55 69.67 20.92 2 0 1000.00 -999 ? >LEU~D 181 25.46 76.60 21.69 25.62 76.53 23.85 25.54 76.56 22.77 3 0 1000.00 -999 ? >ALA~D 182 24.42 77.23 17.58 25.58 77.54 16.63 25.00 77.38 17.10 2 0 1000.00 -999 ? >ALA~D 183 22.88 74.06 16.22 23.58 72.73 16.19 23.23 73.39 16.20 2 0 1000.00 -999 ? >LEU~D 184 20.66 73.14 20.38 21.18 71.06 20.80 20.92 72.10 20.59 3 0 1000.00 -999 ? >MET?D 185 19.39 77.43 18.55 21.09 80.28 19.70 20.24 78.86 19.13 2 0 1000.00 -999 ? >ASN~D 186 14.81 78.17 19.59 15.30 76.62 20.96 15.05 77.40 20.28 2 0 1000.00 -999 ? >THR~D 187 14.80 81.55 16.83 14.42 83.30 18.00 14.61 82.42 17.41 2 0 1000.00 -999 ? >ASP~D 188 14.29 83.17 12.23 13.00 81.72 11.40 13.64 82.45 11.82 2 0 1000.00 -999 ? >THR~D 189 17.20 85.76 14.07 16.58 87.81 14.38 16.89 86.78 14.22 2 0 1000.00 -999 ? >ALA~D 190 18.98 83.67 16.68 18.29 82.82 17.72 18.64 83.25 17.20 2 0 1000.00 -999 ? >LYS~D 191 20.16 80.92 14.31 15.86 76.39 12.97 18.01 78.66 13.64 2 0 1000.00 -999 ? >ALA~D 192 21.23 83.51 11.78 20.39 84.66 11.30 20.81 84.09 11.54 2 0 1000.00 -999 ? >LEU~D 193 22.40 85.79 15.80 22.82 87.38 17.17 22.61 86.59 16.48 3 0 1000.00 -999 ? >ALA~D 194 24.92 82.09 15.78 24.20 80.95 16.46 24.56 81.52 16.12 2 0 1000.00 -999 ? >ALA~D 195 26.32 81.60 12.29 25.56 81.90 11.02 25.94 81.75 11.65 2 0 1000.00 -999 ? >HIS~D 196 30.50 86.16 11.68 32.49 86.76 11.40 31.49 86.46 11.54 3 0 1000.00 -999 ? >ARG~D 197 27.41 85.36 17.96 25.96 87.72 19.22 26.68 86.54 18.59 2 0 1000.00 -999 ? >THR~D 198 31.00 79.64 15.14 29.58 78.06 14.87 30.29 78.85 15.01 2 0 1000.00 -999 ? >ALA~D 199 34.06 80.01 12.95 34.18 80.86 11.70 34.12 80.43 12.33 2 0 1000.00 -999 ? >VAL~D 200 35.90 82.05 15.58 35.38 84.07 16.09 35.64 83.06 15.84 3 0 1000.00 -999 ? >MET?D 201 35.65 79.33 18.25 31.80 79.04 20.13 33.73 79.19 19.19 2 0 1000.00 -999 ? >HIS~D 202 34.76 75.31 15.14 32.96 74.42 15.75 33.86 74.86 15.44 3 0 1000.00 -999 ? >GLU~D 203 38.63 80.68 12.57 38.05 82.66 11.96 38.34 81.67 12.26 2 0 1000.00 -999 ? >PHE~D 204 40.09 80.24 20.63 41.24 80.22 23.19 40.66 80.23 21.91 3 0 1000.00 -999 ? >VAL~D 205 40.29 75.97 19.08 38.69 74.69 19.74 39.49 75.33 19.41 3 0 1000.00 -999 ? >ASP~D 206 41.87 74.96 14.61 40.07 73.91 14.16 40.97 74.44 14.38 2 0 1000.00 -999 ? >GLN~D 207 44.79 79.71 15.02 46.81 79.45 14.39 45.80 79.58 14.71 2 0 1000.00 -999 ? >PHE~D 208 44.63 76.78 22.55 45.78 76.73 25.10 45.20 76.75 23.83 3 0 1000.00 -999 ? >LYS~D 209 45.93 73.17 19.41 41.18 69.08 19.28 43.56 71.13 19.34 2 0 1000.00 -999 ? >ALA~D 210 48.44 74.03 16.70 48.14 74.78 15.45 48.29 74.40 16.07 2 0 1000.00 -999 ? >GLU~D 211 49.54 78.94 18.26 48.74 80.71 19.10 49.14 79.82 18.68 2 0 1000.00 -999 ? >TRP~D 212 50.22 71.31 23.36 49.34 73.12 26.74 49.78 72.21 25.05 3 0 1000.00 -999 ? >THR~D 213 51.79 71.53 18.88 51.07 70.24 17.31 51.43 70.89 18.09 2 0 1000.00 -999 ? >ALA~D 214 54.22 73.82 17.07 53.87 75.20 16.58 54.04 74.51 16.82 2 0 1000.00 -999 ? >ASP~D 215 55.28 75.37 21.53 55.53 77.38 20.97 55.40 76.38 21.25 2 0 1000.00 -999 ?