REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-SEP-06 2IBO COMPND HYPOTHETICAL PROTEIN SP2199; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE TIGR4; SOURCE 3 ORGANISM_TAXID: 170187; SOURCE 4 STRAIN: TIGR4, ATCC BAA-334; SOURCE 5 GENE: SP_2199; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR J.SEETHARAMAN,M.ABASHIDZE,F.FOROUHAR,R.SHASTRY,K.CONOVER, AUTHOR 2 K.CUNNINGHAM,L.C.MA,R.XIAO,J.LIU,M.C.BARAN,T.B.ACTON,B.ROST, AUTHOR 3 G.T.MONTELIONE,J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL AUTHOR 4 GENOMICS CONSORTIUM (NESG) HET MSE A 1 8 HET MSE A 36 8 HET MSE A 53 8 HET MSE B 1 8 HET MSE B 36 8 HET MSE B 53 8 HET MSE C 1 8 HET MSE C 36 8 HET MSE C 53 8 HET MSE D 1 8 HET MSE D 36 8 HET MSE D 53 8 >MET?A 1 60.66 59.78 64.39 58.27 60.30 67.90 59.47 60.04 66.15 2 0 1000.00 -999 ? >LYS^A 2 61.83 56.65 66.25 57.32 54.20 69.10 59.58 55.42 67.67 2 0 1000.00 -999 ? >ALA^A 3 64.89 55.00 64.72 65.45 55.97 63.71 65.17 55.48 64.22 2 0 1000.00 -999 ? >SER^A 4 67.70 52.60 65.51 68.23 50.77 66.99 67.97 51.69 66.25 2 0 1000.00 -999 ? >ILE^A 5 71.75 53.91 63.62 71.78 53.99 62.24 71.76 53.95 62.93 3 0 1000.00 -999 ? >ALA^A 6 73.69 49.73 64.06 73.26 48.29 63.81 73.48 49.01 63.93 2 0 1000.00 -999 ? >LEU^A 7 77.58 52.22 63.34 78.88 53.55 62.19 78.23 52.88 62.77 3 0 1000.00 -999 ? >GLN^A 8 81.32 46.51 61.53 80.95 44.54 60.82 81.13 45.52 61.17 2 0 1000.00 -999 ? >VAL^A 9 83.40 50.39 60.91 83.94 52.48 61.18 83.67 51.44 61.05 3 0 1000.00 -999 ? >LEU^A 10 85.44 47.07 58.21 84.72 45.24 59.06 85.08 46.16 58.63 3 0 1000.00 -999 ? >PRO^A 11 89.58 50.26 60.39 88.36 50.10 58.53 88.97 50.18 59.46 3 0 1000.00 -999 ? >LEU.A 12 90.48 48.90 53.97 88.65 47.86 53.50 89.56 48.38 53.73 3 0 1000.00 -999 ? >VAL.A 13 94.23 49.88 57.07 94.61 51.97 57.49 94.42 50.92 57.28 3 0 1000.00 -999 ? >GLN.A 14 99.08 48.17 57.60 98.45 49.59 56.12 98.77 48.88 56.86 2 0 1000.00 -999 ? >GLY~A 15 97.01 47.28 62.71 97.05 48.00 62.43 97.03 47.64 62.57 1 0 1000.00 -999 ? >ILE~A 16 99.14 50.83 65.25 100.14 51.77 65.31 99.64 51.30 65.28 3 0 1000.00 -999 ? >ASP~A 17 96.52 52.95 61.02 98.61 52.99 60.75 97.57 52.97 60.89 2 0 1000.00 -999 ? >ARG~A 18 91.87 47.17 62.65 90.06 46.02 60.46 90.96 46.60 61.55 2 0 1000.00 -999 ? >ILE~A 19 93.57 49.66 67.32 94.86 48.97 67.52 94.22 49.32 67.42 3 0 1000.00 -999 ? >ALA~A 20 92.64 54.11 66.37 93.83 54.93 65.89 93.23 54.52 66.13 2 0 1000.00 -999 ? >VAL~A 21 89.90 54.86 63.85 90.15 53.90 61.87 90.02 54.38 62.86 3 0 1000.00 -999 ? >ILE~A 22 88.01 50.87 65.93 87.54 49.49 65.82 87.78 50.18 65.87 3 0 1000.00 -999 ? >ASP~A 23 90.07 54.11 69.75 90.71 52.37 70.76 90.39 53.24 70.25 2 0 1000.00 -999 ? >GLN~A 24 90.11 58.21 66.67 90.60 59.60 68.22 90.36 58.90 67.45 2 0 1000.00 -999 ? >VAL~A 25 84.51 56.37 66.32 83.80 55.52 64.44 84.15 55.95 65.38 3 0 1000.00 -999 ? >ILE~A 26 84.27 53.67 70.39 83.20 52.61 70.78 83.73 53.14 70.59 3 0 1000.00 -999 ? >ALA~A 27 84.75 57.88 71.67 86.18 58.43 71.67 85.47 58.16 71.67 2 0 1000.00 -999 ? >TYR~A 28 81.81 61.08 67.28 79.48 62.36 66.42 80.64 61.72 66.85 3 0 1000.00 -999 ? >LEU~A 29 79.62 56.68 69.27 79.26 56.13 67.19 79.44 56.41 68.23 3 0 1000.00 -999 ? >GLN~A 30 81.29 56.20 74.33 83.15 55.61 75.17 82.22 55.91 74.75 2 0 1000.00 -999 ? >THR~A 31 80.07 61.97 73.20 81.36 63.45 72.31 80.72 62.71 72.75 2 0 1000.00 -999 ? >GLN~A 32 77.00 61.90 69.27 77.29 64.01 69.11 77.14 62.95 69.19 2 0 1000.00 -999 ? >GLU.A 33 73.83 64.47 75.07 72.98 66.38 75.32 73.41 65.42 75.20 2 0 1000.00 -999 ? >VAL.A 34 72.25 58.97 72.47 72.83 58.15 70.53 72.54 58.56 71.50 3 0 1000.00 -999 ? >THR^A 35 71.45 55.52 73.86 69.69 54.60 74.71 70.57 55.06 74.29 2 0 1000.00 -999 ? >MET?A 36 74.24 53.20 72.77 78.19 55.09 72.56 76.21 54.14 72.66 2 0 1000.00 -999 ? >VAL^A 37 75.22 49.55 73.11 73.70 48.21 73.87 74.46 48.88 73.49 3 0 1000.00 -999 ? >VAL^A 38 78.48 48.18 71.84 80.46 49.03 71.98 79.47 48.60 71.91 3 0 1000.00 -999 ? >THR.A 39 78.00 44.61 70.63 76.14 44.67 69.50 77.07 44.64 70.07 2 0 1000.00 -999 ? >PRO.A 40 79.42 40.57 70.16 80.13 42.61 69.45 79.77 41.59 69.81 3 0 1000.00 -999 ? >PHE.A 41 80.26 41.03 64.32 81.65 38.66 63.87 80.95 39.84 64.10 3 0 1000.00 -999 ? >GLU.A 42 76.08 45.63 65.21 74.69 44.97 63.78 75.39 45.30 64.50 2 0 1000.00 -999 ? >THR^A 43 77.56 49.54 67.81 78.88 51.01 68.75 78.22 50.28 68.28 2 0 1000.00 -999 ? >VAL^A 44 73.81 49.97 68.25 72.34 48.34 68.35 73.08 49.15 68.30 3 0 1000.00 -999 ? >LEU^A 45 72.95 54.60 67.86 74.98 55.34 68.10 73.96 54.97 67.98 3 0 1000.00 -999 ? >GLU^A 46 66.76 53.10 70.49 65.97 52.19 72.23 66.37 52.65 71.36 2 0 1000.00 -999 ? >GLY^A 47 66.87 57.66 69.21 66.73 57.24 68.52 66.80 57.45 68.87 1 0 1000.00 -999 ? >GLU^A 48 64.13 62.00 68.15 62.14 61.49 67.67 63.14 61.74 67.91 2 0 1000.00 -999 ? >PHE~A 49 65.38 58.92 60.67 66.49 58.17 58.22 65.93 58.55 59.44 3 0 1000.00 -999 ? >ASP~A 50 66.45 64.29 62.86 65.08 64.85 61.35 65.76 64.57 62.11 2 0 1000.00 -999 ? >GLU~A 51 69.16 61.42 67.40 68.67 61.53 69.49 68.91 61.48 68.44 2 0 1000.00 -999 ? >LEU~A 52 70.18 58.03 64.30 69.73 56.85 66.07 69.95 57.44 65.19 3 0 1000.00 -999 ? >MET?A 53 71.52 60.31 60.68 70.33 58.16 58.51 70.93 59.24 59.59 2 0 1000.00 -999 ? >ARG~A 54 73.53 66.35 64.29 72.92 65.20 67.07 73.22 65.78 65.68 2 0 1000.00 -999 ? >ILE~A 55 74.99 60.39 65.61 75.01 60.21 67.08 75.00 60.30 66.35 3 0 1000.00 -999 ? >LEU~A 56 75.01 57.81 60.79 75.29 56.02 59.57 75.15 56.92 60.18 3 0 1000.00 -999 ? >LYS~A 57 77.49 61.11 59.27 76.65 66.32 55.83 77.07 63.72 57.55 2 0 1000.00 -999 ? >GLU~A 58 79.81 64.72 63.29 81.92 64.95 63.21 80.86 64.84 63.25 2 0 1000.00 -999 ? >ALA~A 59 80.92 59.10 63.08 79.99 57.95 63.47 80.45 58.53 63.27 2 0 1000.00 -999 ? >LEU~A 60 80.99 58.07 58.34 80.27 56.10 57.79 80.63 57.09 58.07 3 0 1000.00 -999 ? >GLU~A 61 81.95 63.28 58.12 81.00 65.18 58.26 81.47 64.23 58.19 2 0 1000.00 -999 ? >VAL~A 62 85.64 60.97 62.25 85.28 60.94 64.40 85.46 60.96 63.32 3 0 1000.00 -999 ? >ALA~A 63 86.67 57.53 60.95 85.73 56.36 60.66 86.20 56.94 60.81 2 0 1000.00 -999 ? >GLY~A 64 87.57 59.00 57.58 87.84 59.27 58.28 87.71 59.14 57.93 1 0 1000.00 -999 ? >GLN~A 65 90.56 63.85 59.74 89.92 65.67 60.63 90.24 64.76 60.19 2 0 1000.00 -999 ? >GLU.A 66 92.09 57.64 63.04 92.35 59.21 64.44 92.22 58.42 63.74 2 0 1000.00 -999 ? >ALA.A 67 92.29 56.31 57.64 91.56 55.01 57.96 91.92 55.66 57.80 2 0 1000.00 -999 ? >ASP.A 68 93.43 56.88 52.98 94.64 58.59 53.26 94.04 57.73 53.12 2 0 1000.00 -999 ? >ASN.A 69 90.56 52.76 52.47 90.70 53.10 50.39 90.63 52.93 51.43 2 0 1000.00 -999 ? >VAL^A 70 86.88 53.46 55.40 86.62 54.74 57.15 86.75 54.10 56.28 3 0 1000.00 -999 ? >PHE^A 71 83.27 48.75 53.80 80.87 47.51 53.07 82.07 48.13 53.43 3 0 1000.00 -999 ? >ALA^A 72 81.05 50.69 57.00 80.69 52.06 57.59 80.87 51.38 57.29 2 0 1000.00 -999 ? >ASN^A 73 78.18 46.98 57.93 79.09 45.67 56.51 78.64 46.32 57.22 2 0 1000.00 -999 ? >VAL^A 74 75.02 50.21 58.71 75.12 52.38 58.82 75.07 51.30 58.76 3 0 1000.00 -999 ? >LYS^A 75 71.62 48.90 59.71 72.92 43.18 61.92 72.27 46.04 60.81 2 0 1000.00 -999 ? >ILE^A 76 68.67 52.45 58.92 69.01 53.88 58.63 68.84 53.17 58.78 3 0 1000.00 -999 ? >ASN^A 77 65.40 49.57 62.58 63.53 48.69 63.09 64.46 49.13 62.83 2 0 1000.00 -999 ? >VAL^A 78 62.73 53.35 61.13 63.60 54.46 59.45 63.17 53.91 60.29 3 0 1000.00 -999 ? >GLY^A 79 59.07 53.84 61.94 59.58 53.66 62.57 59.32 53.75 62.26 1 0 1000.00 -999 ? >GLU.A 80 54.65 53.13 64.74 55.05 54.31 66.47 54.85 53.72 65.60 2 0 1000.00 -999 ? >ILE.A 81 61.43 50.52 65.30 62.00 51.28 65.51 61.72 50.90 65.41 3 0 1000.00 -999 ? >LEU.A 82 60.43 46.59 69.09 59.20 45.21 67.96 59.81 45.90 68.53 3 0 1000.00 -999 ? >SER~A 83 63.09 49.49 71.37 62.66 49.19 73.73 62.88 49.34 72.55 2 0 1000.00 -999 ? >ILE~A 84 67.73 48.57 72.61 69.21 48.74 72.32 68.47 48.65 72.46 3 0 1000.00 -999 ? >ASP~A 85 64.27 47.52 76.51 65.53 47.72 78.18 64.90 47.62 77.35 2 0 1000.00 -999 ? >GLU~A 86 60.10 46.97 73.90 59.17 48.64 73.01 59.64 47.81 73.45 2 0 1000.00 -999 ? >LYS~A 87 63.80 43.51 70.74 65.92 48.00 66.89 64.86 45.76 68.82 2 0 1000.00 -999 ? >LEU~A 88 67.01 42.69 74.29 69.01 42.61 73.44 68.01 42.65 73.87 3 0 1000.00 -999 ? >GLU.A 89 62.58 41.41 77.07 63.42 39.70 78.00 63.00 40.56 77.53 2 0 1000.00 -999 ? >LYS.A 90 62.28 38.35 71.61 64.50 40.84 68.13 63.39 39.59 69.87 2 0 1000.00 -999 ? >MET?B 1 64.92 25.18 47.24 62.55 24.16 43.87 63.73 24.67 45.56 2 0 1000.00 -999 ? >LYS^B 2 65.27 28.40 45.22 60.07 30.11 43.69 62.67 29.25 44.46 2 0 1000.00 -999 ? >ALA^B 3 67.82 30.62 46.88 68.65 29.74 47.77 68.23 30.18 47.32 2 0 1000.00 -999 ? >SER^B 4 70.06 33.55 46.23 70.04 35.49 44.79 70.05 34.52 45.51 2 0 1000.00 -999 ? >ILE^B 5 74.38 33.39 48.12 74.11 33.07 49.47 74.24 33.23 48.79 3 0 1000.00 -999 ? >ALA^B 6 75.05 37.86 47.67 74.24 39.08 47.96 74.65 38.47 47.82 2 0 1000.00 -999 ? >LEU^B 7 79.45 36.26 48.24 80.96 35.23 49.40 80.20 35.74 48.82 3 0 1000.00 -999 ? >GLN^B 8 81.66 42.67 50.26 80.88 44.51 51.00 81.27 43.59 50.63 2 0 1000.00 -999 ? >VAL^B 9 84.65 39.47 50.93 85.78 37.58 50.64 85.22 38.52 50.78 3 0 1000.00 -999 ? >LEU^B 10 86.18 43.14 53.62 84.72 44.64 53.17 85.45 43.89 53.39 3 0 1000.00 -999 ? >PRO.B 11 90.22 40.50 51.01 89.67 40.81 53.12 89.94 40.65 52.07 3 0 1000.00 -999 ? >LEU.B 12 91.07 42.74 57.15 89.16 43.46 57.91 90.12 43.10 57.53 3 0 1000.00 -999 ? >VAL.B 13 95.06 42.82 54.21 95.63 40.79 53.63 95.35 41.81 53.92 3 0 1000.00 -999 ? >GLN~B 14 99.12 45.21 54.90 98.40 43.40 55.78 98.76 44.31 55.34 2 0 1000.00 -999 ? >GLY~B 15 97.20 45.95 49.07 97.21 45.27 49.41 97.20 45.61 49.24 1 0 1000.00 -999 ? >ILE~B 16 99.91 43.32 46.08 100.95 43.24 45.14 100.43 43.28 45.61 3 0 1000.00 -999 ? >ASP~B 17 98.79 40.25 50.19 100.74 41.04 50.04 99.77 40.65 50.11 2 0 1000.00 -999 ? >ARG~B 18 92.38 44.19 49.44 89.84 44.72 51.05 91.11 44.46 50.24 2 0 1000.00 -999 ? >ILE.B 19 93.79 42.98 45.03 94.63 44.24 45.04 94.21 43.61 45.04 3 0 1000.00 -999 ? >ALA~B 20 94.49 38.18 45.37 95.90 37.83 45.82 95.20 38.00 45.59 2 0 1000.00 -999 ? >VAL~B 21 92.16 36.55 47.86 92.11 37.59 49.76 92.14 37.07 48.81 3 0 1000.00 -999 ? >ILE~B 22 89.21 39.92 45.91 88.40 41.10 46.17 88.80 40.51 46.04 3 0 1000.00 -999 ? >ASP~B 23 91.86 37.54 41.85 91.89 39.54 41.16 91.88 38.54 41.50 2 0 1000.00 -999 ? >GLN~B 24 93.04 33.02 45.12 93.22 30.93 44.77 93.13 31.98 44.94 2 0 1000.00 -999 ? >VAL~B 25 87.21 33.86 45.44 86.31 34.52 47.33 86.76 34.19 46.39 3 0 1000.00 -999 ? >ILE~B 26 86.35 36.47 41.36 85.06 37.24 41.00 85.71 36.86 41.18 3 0 1000.00 -999 ? >ALA~B 27 87.84 32.51 40.12 89.35 32.33 40.11 88.59 32.42 40.11 2 0 1000.00 -999 ? >TYR~B 28 85.75 28.67 44.51 83.78 26.88 45.35 84.77 27.77 44.93 3 0 1000.00 -999 ? >LEU~B 29 82.56 32.43 42.47 82.08 32.88 44.56 82.32 32.66 43.52 3 0 1000.00 -999 ? >GLN~B 30 84.11 33.30 37.44 85.77 34.33 36.60 84.94 33.81 37.02 2 0 1000.00 -999 ? >THR~B 31 84.27 27.40 38.54 85.88 26.28 39.42 85.07 26.84 38.98 2 0 1000.00 -999 ? >GLN~B 32 81.26 26.74 42.48 82.05 24.74 42.64 81.66 25.74 42.56 2 0 1000.00 -999 ? >GLU.B 33 78.84 23.50 36.66 78.46 21.43 36.41 78.65 22.47 36.54 2 0 1000.00 -999 ? >VAL.B 34 75.98 28.47 39.24 76.31 29.40 41.18 76.15 28.93 40.21 3 0 1000.00 -999 ? >THR^B 35 74.38 31.62 37.87 72.44 32.08 37.01 73.41 31.85 37.44 2 0 1000.00 -999 ? >MET?B 36 76.51 34.54 38.97 80.74 33.62 39.18 78.63 34.08 39.08 2 0 1000.00 -999 ? >VAL^B 37 76.60 38.30 38.62 74.82 39.25 37.86 75.71 38.78 38.24 3 0 1000.00 -999 ? >VAL^B 38 79.44 40.43 39.90 81.58 40.08 39.78 80.51 40.26 39.84 3 0 1000.00 -999 ? >THR.B 39 78.10 43.78 41.11 76.34 43.28 42.23 77.22 43.53 41.67 2 0 1000.00 -999 ? >PRO.B 40 78.56 48.00 41.57 79.70 46.22 42.31 79.13 47.11 41.94 3 0 1000.00 -999 ? >PHE.B 41 79.44 47.79 47.41 80.18 50.43 47.88 79.81 49.11 47.65 3 0 1000.00 -999 ? >GLU.B 42 76.47 42.29 46.49 74.98 42.67 47.93 75.73 42.48 47.21 2 0 1000.00 -999 ? >THR^B 43 78.85 38.88 43.93 80.46 37.75 43.01 79.66 38.31 43.47 2 0 1000.00 -999 ? >VAL^B 44 75.29 37.59 43.48 73.49 38.79 43.37 74.39 38.19 43.42 3 0 1000.00 -999 ? >LEU^B 45 75.59 32.88 43.87 77.72 32.65 43.68 76.65 32.77 43.77 3 0 1000.00 -999 ? >GLU^B 46 69.23 32.85 41.23 68.26 33.55 39.49 68.75 33.20 40.36 2 0 1000.00 -999 ? >GLY^B 47 70.43 28.44 42.51 70.19 28.82 43.20 70.31 28.63 42.85 1 0 1000.00 -999 ? >GLU^B 48 68.78 23.57 43.55 66.73 23.58 44.02 67.75 23.57 43.78 2 0 1000.00 -999 ? >PHE~B 49 69.25 26.86 51.04 70.13 27.86 53.52 69.69 27.36 52.28 3 0 1000.00 -999 ? >ASP~B 50 71.54 21.92 48.86 70.35 21.03 50.38 70.94 21.47 49.62 2 0 1000.00 -999 ? >GLU~B 51 73.51 25.33 44.31 73.09 25.11 42.22 73.30 25.22 43.26 2 0 1000.00 -999 ? >LEU~B 52 73.70 28.90 47.42 72.98 29.92 45.64 73.34 29.41 46.53 3 0 1000.00 -999 ? >MET?B 53 75.53 26.98 51.04 73.79 28.74 53.25 74.66 27.86 52.15 2 0 1000.00 -999 ? >ARG~B 54 78.97 21.59 47.44 78.10 22.59 44.68 78.54 22.09 46.06 2 0 1000.00 -999 ? >ILE~B 55 78.94 27.73 46.13 78.90 27.93 44.66 78.92 27.83 45.40 3 0 1000.00 -999 ? >LEU~B 56 78.32 30.23 50.94 78.15 32.04 52.12 78.24 31.13 51.53 3 0 1000.00 -999 ? >LYS~B 57 81.52 27.62 52.46 81.94 22.34 55.92 81.73 24.98 54.19 2 0 1000.00 -999 ? >GLU~B 58 84.64 24.67 48.48 86.74 24.95 48.57 85.69 24.81 48.53 2 0 1000.00 -999 ? >ALA~B 59 84.37 30.38 48.68 83.21 31.28 48.29 83.79 30.83 48.49 2 0 1000.00 -999 ? >LEU~B 60 84.19 31.40 53.42 83.02 33.14 53.97 83.60 32.27 53.70 3 0 1000.00 -999 ? >GLU~B 61 86.35 26.57 53.64 85.89 24.51 53.50 86.12 25.54 53.57 2 0 1000.00 -999 ? >VAL~B 62 89.38 29.71 49.53 89.04 29.65 47.37 89.21 29.68 48.45 3 0 1000.00 -999 ? >ALA~B 63 89.59 33.29 50.82 88.39 34.19 51.11 88.99 33.74 50.97 2 0 1000.00 -999 ? >GLY~B 64 90.81 32.08 54.20 91.13 31.87 53.50 90.97 31.98 53.85 1 0 1000.00 -999 ? >GLN~B 65 94.86 28.08 52.05 94.66 26.16 51.17 94.76 27.12 51.61 2 0 1000.00 -999 ? >GLU.B 66 94.88 34.46 48.76 95.51 33.01 47.37 95.19 33.73 48.06 2 0 1000.00 -999 ? >ALA.B 67 94.73 35.80 54.16 93.71 36.88 53.84 94.22 36.34 54.00 2 0 1000.00 -999 ? >ASP.B 68 95.97 35.53 58.82 97.54 34.16 58.55 96.75 34.85 58.69 2 0 1000.00 -999 ? >ASN.B 69 92.20 38.85 59.32 92.39 38.57 61.42 92.29 38.71 60.37 2 0 1000.00 -999 ? >VAL^B 70 88.81 37.30 56.37 88.86 35.98 54.63 88.83 36.64 55.50 3 0 1000.00 -999 ? >PHE^B 71 84.17 41.02 57.96 81.53 41.64 58.68 82.85 41.33 58.32 3 0 1000.00 -999 ? >ALA^B 72 82.49 38.61 54.74 82.46 37.21 54.11 82.48 37.91 54.43 2 0 1000.00 -999 ? >ASN^B 73 78.83 41.52 53.80 79.38 43.01 55.22 79.11 42.26 54.51 2 0 1000.00 -999 ? >VAL^B 74 76.50 37.62 53.03 77.13 35.53 52.92 76.82 36.57 52.97 3 0 1000.00 -999 ? >LYS^B 75 72.89 38.08 52.01 72.79 43.96 49.81 72.84 41.02 50.91 2 0 1000.00 -999 ? >ILE^B 76 70.84 33.90 53.00 71.39 32.76 53.58 71.11 33.33 53.29 3 0 1000.00 -999 ? >ASN^B 77 67.11 36.01 49.12 65.09 36.49 48.69 66.10 36.25 48.91 2 0 1000.00 -999 ? >VAL^B 78 65.45 31.65 50.30 66.71 30.81 51.83 66.08 31.23 51.07 3 0 1000.00 -999 ? >GLY^B 79 61.91 30.57 49.43 62.31 30.85 48.77 62.11 30.71 49.10 1 0 1000.00 -999 ? >GLU.B 80 57.15 30.48 47.15 57.37 29.35 45.36 57.26 29.92 46.26 2 0 1000.00 -999 ? >ILE.B 81 63.36 34.39 46.40 64.56 33.74 46.58 63.96 34.06 46.49 3 0 1000.00 -999 ? >LEU.B 82 61.78 37.89 42.65 60.19 39.06 43.53 60.98 38.47 43.09 3 0 1000.00 -999 ? >SER~B 83 64.89 35.34 40.41 64.19 35.63 38.10 64.54 35.49 39.26 2 0 1000.00 -999 ? >ILE~B 84 69.17 37.48 39.37 70.60 37.58 39.64 69.88 37.53 39.50 3 0 1000.00 -999 ? >ASP~B 85 65.60 37.38 35.35 66.68 37.51 33.53 66.14 37.45 34.44 2 0 1000.00 -999 ? >GLU~B 86 61.45 37.12 37.96 60.38 35.75 39.15 60.92 36.43 38.56 2 0 1000.00 -999 ? >LYS~B 87 64.32 41.63 40.46 66.33 38.54 45.65 65.32 40.09 43.06 2 0 1000.00 -999 ? >LEU~B 88 66.86 42.51 36.41 68.11 43.44 34.89 67.49 42.97 35.65 3 0 1000.00 -999 ? >GLU~B 89 62.05 46.05 34.44 62.37 47.76 35.68 62.21 46.90 35.06 2 0 1000.00 -999 ? >LYS.B 90 61.93 45.25 39.82 64.25 43.58 44.30 63.09 44.42 42.06 2 0 1000.00 -999 ? >MET?C 1 84.55 63.74 49.94 86.96 65.11 46.59 85.75 64.43 48.26 2 0 1000.00 -999 ? >LYS^C 2 84.45 60.87 47.45 89.30 60.34 43.75 86.87 60.60 45.60 2 0 1000.00 -999 ? >ALA^C 3 82.11 58.17 48.73 81.43 58.70 49.98 81.77 58.43 49.36 2 0 1000.00 -999 ? >SER^C 4 79.83 55.29 47.75 79.73 53.36 46.31 79.78 54.33 47.03 2 0 1000.00 -999 ? >ILE^C 5 75.53 54.98 49.63 75.61 55.06 51.05 75.57 55.02 50.34 3 0 1000.00 -999 ? >ALA^C 6 74.82 50.58 48.56 75.67 49.33 48.57 75.24 49.96 48.56 2 0 1000.00 -999 ? >LEU^C 7 70.49 52.07 49.64 68.67 52.69 50.61 69.58 52.38 50.12 3 0 1000.00 -999 ? >GLN^C 8 68.41 45.40 50.89 69.16 43.58 51.66 68.79 44.49 51.28 2 0 1000.00 -999 ? >VAL^C 9 65.32 48.53 51.74 64.24 50.40 51.42 64.78 49.47 51.58 3 0 1000.00 -999 ? >LEU^C 10 64.06 44.88 54.15 65.32 43.44 53.14 64.69 44.16 53.65 3 0 1000.00 -999 ? >PRO^C 11 59.73 47.99 52.21 60.21 46.74 53.99 59.97 47.37 53.10 3 0 1000.00 -999 ? >LEU.C 12 58.95 43.99 57.89 61.09 43.62 57.87 60.02 43.81 57.88 3 0 1000.00 -999 ? >VAL.C 13 54.29 45.32 57.12 53.80 47.29 57.97 54.04 46.31 57.54 3 0 1000.00 -999 ? >GLN.C 14 50.15 45.55 53.26 49.64 46.35 55.16 49.89 45.95 54.21 2 0 1000.00 -999 ? >GLY.C 15 52.34 41.91 51.22 52.88 42.49 50.99 52.61 42.20 51.10 1 0 1000.00 -999 ? >ILE.C 16 54.34 42.19 47.13 53.07 41.73 46.53 53.70 41.96 46.83 3 0 1000.00 -999 ? >ASP~C 17 52.39 46.61 50.08 51.00 48.23 50.39 51.70 47.42 50.23 2 0 1000.00 -999 ? >ARG~C 18 59.14 43.14 50.52 61.68 42.27 49.06 60.41 42.71 49.79 2 0 1000.00 -999 ? >ILE~C 19 57.83 44.84 44.63 56.90 43.64 44.23 57.37 44.24 44.43 3 0 1000.00 -999 ? >ALA~C 20 55.86 49.09 45.72 54.43 49.18 46.22 55.14 49.13 45.97 2 0 1000.00 -999 ? >VAL~C 21 57.61 50.94 48.53 58.10 50.02 50.42 57.86 50.48 49.48 3 0 1000.00 -999 ? >ILE~C 22 61.31 48.28 46.81 62.11 47.14 47.03 61.71 47.71 46.92 3 0 1000.00 -999 ? >ASP~C 23 58.42 50.68 43.00 58.59 48.94 41.80 58.51 49.81 42.40 2 0 1000.00 -999 ? >GLN~C 24 56.72 54.13 46.53 55.62 55.52 45.35 56.17 54.83 45.94 2 0 1000.00 -999 ? >VAL~C 25 62.46 54.60 47.05 63.39 53.74 48.83 62.93 54.17 47.94 3 0 1000.00 -999 ? >ILE~C 26 63.36 52.53 42.68 64.66 51.86 42.22 64.01 52.20 42.45 3 0 1000.00 -999 ? >ALA~C 27 61.73 56.55 41.91 60.21 56.69 41.96 60.97 56.62 41.93 2 0 1000.00 -999 ? >TYR~C 28 63.81 59.91 46.69 65.72 61.66 47.74 64.76 60.78 47.22 3 0 1000.00 -999 ? >LEU~C 29 67.04 56.51 44.21 67.55 55.82 46.22 67.29 56.17 45.21 3 0 1000.00 -999 ? >GLN~C 30 65.48 56.20 39.11 63.81 55.22 38.21 64.64 55.71 38.66 2 0 1000.00 -999 ? >THR~C 31 65.13 61.92 40.93 63.50 62.87 41.95 64.32 62.40 41.44 2 0 1000.00 -999 ? >GLN~C 32 68.21 62.20 44.88 67.35 64.12 45.27 67.78 63.16 45.07 2 0 1000.00 -999 ? >GLU.C 33 70.45 66.17 39.43 70.79 68.25 39.44 70.62 67.21 39.44 2 0 1000.00 -999 ? >VAL.C 34 73.49 61.03 41.40 73.17 59.86 43.22 73.33 60.44 42.31 3 0 1000.00 -999 ? >THR^C 35 75.14 58.10 39.62 77.07 57.81 38.70 76.10 57.96 39.16 2 0 1000.00 -999 ? >MET?C 36 73.11 55.01 40.38 69.06 55.96 40.90 71.08 55.48 40.64 2 0 1000.00 -999 ? >VAL^C 37 73.05 51.31 39.59 74.84 50.50 38.70 73.94 50.91 39.15 3 0 1000.00 -999 ? >VAL^C 38 70.28 48.99 40.67 68.14 49.26 40.63 69.21 49.13 40.65 3 0 1000.00 -999 ? >THR.C 39 71.75 45.54 41.45 73.52 45.93 42.59 72.63 45.74 42.02 2 0 1000.00 -999 ? >PRO.C 40 71.39 41.28 41.40 70.22 42.92 42.37 70.80 42.10 41.88 3 0 1000.00 -999 ? >PHE.C 41 70.60 40.78 47.24 69.93 38.08 47.40 70.26 39.43 47.32 3 0 1000.00 -999 ? >GLU.C 42 73.43 46.44 46.96 74.98 45.93 48.32 74.20 46.18 47.64 2 0 1000.00 -999 ? >THR^C 43 70.92 50.04 44.83 69.25 51.21 44.09 70.09 50.63 44.46 2 0 1000.00 -999 ? >VAL^C 44 74.44 51.47 44.49 76.27 50.34 44.19 75.35 50.91 44.34 3 0 1000.00 -999 ? >LEU^C 45 74.05 56.10 45.47 71.90 56.31 45.29 72.98 56.21 45.38 3 0 1000.00 -999 ? >GLU^C 46 80.34 56.60 42.74 81.28 56.14 40.93 80.81 56.37 41.83 2 0 1000.00 -999 ? >GLY^C 47 79.07 60.79 44.57 79.33 60.34 45.20 79.20 60.57 44.88 1 0 1000.00 -999 ? >GLU^C 48 80.61 65.55 46.14 82.68 65.54 46.59 81.64 65.54 46.36 2 0 1000.00 -999 ? >PHE~C 49 80.34 61.39 53.20 79.50 60.09 55.54 79.92 60.74 54.37 3 0 1000.00 -999 ? >ASP~C 50 77.86 66.48 51.66 79.06 67.21 53.25 78.46 66.84 52.46 2 0 1000.00 -999 ? >GLU~C 51 75.92 63.59 46.76 76.31 64.07 44.71 76.11 63.83 45.74 2 0 1000.00 -999 ? >LEU~C 52 75.89 59.68 49.44 76.60 58.90 47.54 76.24 59.29 48.49 3 0 1000.00 -999 ? >MET?C 53 74.05 61.10 53.28 75.78 59.08 55.19 74.92 60.09 54.24 2 0 1000.00 -999 ? >ARG~C 54 70.46 66.75 50.38 71.30 66.16 47.51 70.88 66.45 48.95 2 0 1000.00 -999 ? >ILE~C 55 70.59 60.85 48.36 70.60 60.85 46.88 70.60 60.85 47.62 3 0 1000.00 -999 ? >LEU~C 56 71.32 57.80 52.81 71.55 55.88 53.80 71.43 56.84 53.31 3 0 1000.00 -999 ? >LYS~C 57 68.10 60.10 54.67 67.61 64.95 58.71 67.85 62.53 56.69 2 0 1000.00 -999 ? >GLU~C 58 64.84 63.46 51.10 62.73 63.12 51.19 63.79 63.29 51.15 2 0 1000.00 -999 ? >ALA~C 59 65.25 57.74 50.63 66.44 56.92 50.13 65.85 57.33 50.38 2 0 1000.00 -999 ? >LEU~C 60 65.54 56.18 55.22 66.78 54.44 55.55 66.16 55.31 55.39 3 0 1000.00 -999 ? >GLU~C 61 63.28 60.92 56.02 63.69 63.00 56.11 63.49 61.96 56.06 2 0 1000.00 -999 ? >VAL~C 62 60.26 58.19 51.62 60.57 58.50 49.48 60.42 58.35 50.55 3 0 1000.00 -999 ? >ALA~C 63 60.15 54.49 52.47 61.36 53.59 52.64 60.75 54.04 52.56 2 0 1000.00 -999 ? >GLY~C 64 58.97 55.26 55.99 58.63 55.53 55.32 58.80 55.40 55.66 1 0 1000.00 -999 ? >GLN~C 65 54.78 59.38 54.39 54.91 61.40 53.73 54.85 60.39 54.06 2 0 1000.00 -999 ? >GLU.C 66 54.88 53.41 50.36 54.17 55.00 49.15 54.52 54.21 49.75 2 0 1000.00 -999 ? >ALA.C 67 55.15 51.46 55.55 56.20 50.46 55.10 55.67 50.96 55.33 2 0 1000.00 -999 ? >ASP.C 68 53.97 51.15 60.24 52.35 52.49 60.15 53.16 51.82 60.19 2 0 1000.00 -999 ? >ASN^C 69 57.85 47.91 60.30 57.70 47.93 62.42 57.77 47.92 61.36 2 0 1000.00 -999 ? >VAL^C 70 61.14 49.90 57.51 61.03 51.41 55.95 61.08 50.65 56.73 3 0 1000.00 -999 ? >PHE^C 71 65.88 46.17 58.59 68.54 45.53 59.20 67.21 45.85 58.90 3 0 1000.00 -999 ? >ALA^C 72 67.46 48.94 55.65 67.40 50.38 55.17 67.43 49.66 55.41 2 0 1000.00 -999 ? >ASN^C 73 71.19 46.26 54.36 70.64 44.61 55.59 70.91 45.44 54.98 2 0 1000.00 -999 ? >VAL^C 74 73.39 50.28 54.00 72.70 52.36 54.13 73.05 51.32 54.06 3 0 1000.00 -999 ? >LYS^C 75 76.99 50.05 52.87 77.23 44.46 49.97 77.11 47.26 51.42 2 0 1000.00 -999 ? >ILE^C 76 78.99 54.11 54.08 78.42 55.29 54.66 78.70 54.70 54.37 3 0 1000.00 -999 ? >ASN^C 77 82.72 52.35 50.29 84.71 51.74 50.00 83.71 52.05 50.15 2 0 1000.00 -999 ? >VAL^C 78 85.47 55.86 50.79 85.31 56.78 52.77 85.39 56.32 51.78 3 0 1000.00 -999 ? >GLY.C 79 88.31 55.26 48.30 87.88 54.68 48.51 88.09 54.97 48.40 1 0 1000.00 -999 ? >GLU.C 80 92.09 50.62 48.14 91.55 49.45 49.81 91.82 50.03 48.97 2 0 1000.00 -999 ? >ILE.C 81 86.47 49.39 47.22 85.67 48.22 47.85 86.07 48.81 47.53 3 0 1000.00 -999 ? >LEU.C 82 85.21 48.79 42.81 86.35 46.96 42.45 85.78 47.87 42.63 3 0 1000.00 -999 ? >SER.C 83 83.78 52.62 40.91 83.75 54.83 39.94 83.77 53.73 40.43 2 0 1000.00 -999 ? >ILE.C 84 86.28 49.87 37.84 86.99 50.26 37.94 86.64 50.06 37.89 3 0 1000.00 -999 ? >ASP.C 85 82.28 47.44 40.12 84.05 46.54 40.83 83.17 46.99 40.48 2 0 1000.00 -999 ? >GLU.C 86 79.71 52.67 39.95 77.63 52.50 40.21 78.67 52.58 40.08 2 0 1000.00 -999 ? >LYS.C 87 79.78 49.75 34.71 83.81 44.92 34.63 81.80 47.34 34.67 2 0 1000.00 -999 ? >LEU.C 88 74.96 50.05 34.43 75.12 52.17 34.09 75.04 51.11 34.26 3 0 1000.00 -999 ? >GLU.C 89 77.98 48.91 29.53 76.66 49.27 27.91 77.32 49.09 28.72 2 0 1000.00 -999 ? >LYS.C 90 73.13 45.62 31.41 78.07 43.67 33.19 75.60 44.64 32.30 2 0 1000.00 -999 ? >MET?D 1 89.04 26.77 61.29 91.96 24.28 63.35 90.50 25.53 62.32 2 0 1000.00 -999 ? >LYS^D 2 88.37 29.25 64.12 91.66 31.69 65.62 90.01 30.47 64.87 2 0 1000.00 -999 ? >ALA^D 3 85.43 31.46 63.13 84.89 30.93 61.81 85.16 31.19 62.47 2 0 1000.00 -999 ? >SER^D 4 82.57 33.77 64.06 82.24 35.45 65.76 82.41 34.61 64.91 2 0 1000.00 -999 ? >ILE^D 5 78.31 33.03 62.17 78.64 32.93 60.84 78.47 32.98 61.50 3 0 1000.00 -999 ? >ALA^D 6 76.50 37.09 62.95 77.01 38.49 62.81 76.76 37.79 62.88 2 0 1000.00 -999 ? >LEU^D 7 72.48 34.77 62.18 71.15 33.53 61.00 71.82 34.15 61.59 3 0 1000.00 -999 ? >GLN^D 8 69.00 40.74 60.92 69.44 42.70 60.17 69.22 41.72 60.55 2 0 1000.00 -999 ? >VAL^D 9 66.65 36.97 59.86 66.01 34.89 59.93 66.33 35.93 59.89 3 0 1000.00 -999 ? >LEU^D 10 64.71 40.55 57.52 65.63 42.28 58.41 65.17 41.42 57.97 3 0 1000.00 -999 ? >PRO.D 11 61.29 36.56 59.74 61.53 37.71 57.86 61.41 37.14 58.80 3 0 1000.00 -999 ? >LEU.D 12 59.95 40.72 54.64 60.25 39.62 52.81 60.10 40.17 53.72 3 0 1000.00 -999 ? >VAL.D 13 55.97 39.32 57.25 55.41 37.45 58.23 55.69 38.39 57.74 3 0 1000.00 -999 ? >GLN.D 14 51.27 40.68 57.06 49.57 39.49 56.52 50.42 40.08 56.79 2 0 1000.00 -999 ? >GLY.D 15 53.87 42.04 62.53 53.88 41.35 62.16 53.88 41.70 62.35 1 0 1000.00 -999 ? >ILE~D 16 52.09 38.74 65.50 51.09 37.66 65.29 51.59 38.20 65.40 3 0 1000.00 -999 ? >ASP~D 17 53.88 36.04 61.69 51.93 35.30 61.98 52.90 35.67 61.84 2 0 1000.00 -999 ? >ARG~D 18 58.36 41.44 63.50 61.07 42.85 63.50 59.72 42.15 63.50 2 0 1000.00 -999 ? >ILE~D 19 58.61 38.69 67.10 57.76 39.47 67.90 58.18 39.08 67.50 3 0 1000.00 -999 ? >ALA~D 20 57.68 34.19 65.81 56.27 33.78 65.38 56.98 33.98 65.59 2 0 1000.00 -999 ? >VAL~D 21 59.92 33.07 62.93 60.16 34.10 61.02 60.04 33.59 61.97 3 0 1000.00 -999 ? >ILE~D 22 62.71 36.54 64.96 63.24 37.86 64.82 62.98 37.20 64.89 3 0 1000.00 -999 ? >ASP~D 23 60.59 33.34 68.76 60.24 35.20 69.69 60.42 34.27 69.23 2 0 1000.00 -999 ? >GLN~D 24 59.74 29.68 64.87 58.97 27.98 65.87 59.35 28.83 65.37 2 0 1000.00 -999 ? >VAL~D 25 65.40 30.53 64.73 66.10 31.57 62.95 65.75 31.05 63.84 3 0 1000.00 -999 ? >ILE~D 26 65.81 32.73 69.09 66.93 33.70 69.55 66.37 33.22 69.32 3 0 1000.00 -999 ? >ALA~D 27 65.18 28.43 69.87 63.75 27.94 69.84 64.46 28.19 69.86 2 0 1000.00 -999 ? >TYR~D 28 67.94 25.64 65.08 70.20 24.39 64.05 69.07 25.02 64.57 3 0 1000.00 -999 ? >LEU~D 29 70.30 29.70 67.52 70.64 30.49 65.51 70.47 30.10 66.51 3 0 1000.00 -999 ? >GLN~D 30 68.75 29.67 72.61 66.90 30.24 73.52 67.82 29.96 73.07 2 0 1000.00 -999 ? >THR~D 31 69.73 24.01 70.83 68.38 22.69 69.82 69.06 23.35 70.33 2 0 1000.00 -999 ? >GLN~D 32 72.77 24.45 66.85 72.38 22.38 66.47 72.57 23.42 66.66 2 0 1000.00 -999 ? >GLU.D 33 75.90 21.10 72.28 76.68 19.13 72.27 76.29 20.12 72.27 2 0 1000.00 -999 ? >VAL.D 34 77.66 26.79 70.29 77.09 27.88 68.49 77.38 27.34 69.39 3 0 1000.00 -999 ? >THR^D 35 78.62 30.03 72.06 80.42 30.78 72.96 79.52 30.40 72.51 2 0 1000.00 -999 ? >MET?D 36 75.92 32.59 71.31 72.18 30.77 70.82 74.05 31.68 71.06 2 0 1000.00 -999 ? >VAL^D 37 75.01 36.16 72.11 76.56 37.36 72.99 75.78 36.76 72.55 3 0 1000.00 -999 ? >VAL^D 38 71.77 37.79 71.04 69.76 37.01 71.12 70.76 37.40 71.08 3 0 1000.00 -999 ? >THR.D 39 72.38 41.46 70.27 74.17 41.47 69.13 73.28 41.46 69.70 2 0 1000.00 -999 ? >PRO.D 40 71.07 45.53 70.33 70.30 43.66 69.37 70.68 44.60 69.85 3 0 1000.00 -999 ? >PHE.D 41 70.11 45.82 64.49 68.86 48.31 64.32 69.49 47.07 64.41 3 0 1000.00 -999 ? >GLU.D 42 74.19 40.97 64.74 75.56 41.84 63.35 74.87 41.40 64.04 2 0 1000.00 -999 ? >THR^D 43 72.60 36.89 66.88 71.26 35.35 67.64 71.93 36.12 67.26 2 0 1000.00 -999 ? >VAL^D 44 76.35 36.31 67.19 77.88 37.83 67.47 77.11 37.07 67.33 3 0 1000.00 -999 ? >LEU^D 45 77.01 31.71 66.25 74.97 31.04 66.42 75.99 31.38 66.34 3 0 1000.00 -999 ? >GLU^D 46 83.31 32.68 68.89 84.14 33.34 70.71 83.73 33.01 69.80 2 0 1000.00 -999 ? >GLY^D 47 83.01 28.33 67.07 83.16 28.82 66.44 83.08 28.57 66.76 1 0 1000.00 -999 ? >GLU^D 48 85.59 24.04 65.48 87.59 24.53 65.02 86.59 24.28 65.25 2 0 1000.00 -999 ? >PHE~D 49 84.30 28.02 58.44 83.17 29.09 56.10 83.73 28.56 57.27 3 0 1000.00 -999 ? >ASP~D 50 83.10 22.49 59.99 84.43 22.06 58.40 83.76 22.27 59.19 2 0 1000.00 -999 ? >GLU~D 51 80.58 24.86 64.90 81.08 24.48 66.95 80.83 24.67 65.93 2 0 1000.00 -999 ? >LEU~D 52 79.62 28.67 62.22 80.14 29.60 64.11 79.88 29.13 63.17 3 0 1000.00 -999 ? >MET?D 53 78.11 26.82 58.40 79.32 29.20 56.45 78.71 28.01 57.42 2 0 1000.00 -999 ? >ARG~D 54 75.96 20.49 61.34 76.65 21.29 64.21 76.31 20.89 62.78 2 0 1000.00 -999 ? >ILE~D 55 74.74 26.31 63.35 74.77 26.33 64.83 74.76 26.32 64.09 3 0 1000.00 -999 ? >LEU~D 56 74.70 29.43 58.90 74.49 31.35 57.90 74.60 30.39 58.40 3 0 1000.00 -999 ? >LYS~D 57 72.10 26.42 57.04 72.71 21.61 52.99 72.40 24.01 55.02 2 0 1000.00 -999 ? >GLU~D 58 69.74 22.43 60.65 67.63 22.27 60.57 68.68 22.35 60.61 2 0 1000.00 -999 ? >ALA~D 59 68.83 28.08 61.12 69.80 29.15 61.61 69.32 28.61 61.37 2 0 1000.00 -999 ? >LEU~D 60 68.70 29.66 56.55 69.51 31.65 56.21 69.10 30.66 56.38 3 0 1000.00 -999 ? >GLU~D 61 67.57 24.53 55.74 68.45 22.60 55.65 68.01 23.56 55.70 2 0 1000.00 -999 ? >VAL~D 62 64.06 26.50 60.17 64.45 26.26 62.30 64.25 26.38 61.24 3 0 1000.00 -999 ? >ALA~D 63 63.10 30.08 59.32 64.08 31.23 59.15 63.59 30.65 59.24 2 0 1000.00 -999 ? >GLY~D 64 62.07 29.06 55.82 61.81 28.71 56.49 61.94 28.88 56.15 1 0 1000.00 -999 ? >GLN~D 65 58.97 24.07 57.45 59.57 22.13 58.11 59.27 23.10 57.78 2 0 1000.00 -999 ? >GLU.D 66 57.72 29.90 61.48 57.42 28.18 62.68 57.57 29.04 62.08 2 0 1000.00 -999 ? >ALA.D 67 57.50 31.86 56.29 58.28 33.09 56.73 57.89 32.48 56.51 2 0 1000.00 -999 ? >ASP.D 68 56.23 31.89 51.62 54.96 30.20 51.72 55.60 31.05 51.67 2 0 1000.00 -999 ? >ASN^D 69 59.26 35.94 51.52 59.10 35.88 49.40 59.18 35.91 50.46 2 0 1000.00 -999 ? >VAL^D 70 62.94 34.76 54.28 63.18 33.27 55.85 63.06 34.02 55.06 3 0 1000.00 -999 ? >PHE^D 71 66.69 39.49 53.16 69.13 40.74 52.55 67.91 40.11 52.85 3 0 1000.00 -999 ? >ALA^D 72 68.87 37.13 56.10 69.17 35.70 56.54 69.02 36.42 56.32 2 0 1000.00 -999 ? >ASN^D 73 71.90 40.61 57.37 71.00 42.09 56.12 71.45 41.35 56.75 2 0 1000.00 -999 ? >VAL^D 74 74.98 37.22 57.70 74.79 35.03 57.57 74.88 36.13 57.63 3 0 1000.00 -999 ? >LYS^D 75 78.46 38.28 58.79 77.40 43.78 61.67 77.93 41.03 60.23 2 0 1000.00 -999 ? >ILE^D 76 81.37 34.73 57.58 81.03 33.55 56.91 81.20 34.14 57.25 3 0 1000.00 -999 ? >ASN^D 77 84.58 37.37 61.57 86.48 38.31 61.92 85.53 37.84 61.75 2 0 1000.00 -999 ? >VAL^D 78 87.78 34.28 60.29 87.97 32.56 58.96 87.88 33.42 59.63 3 0 1000.00 -999 ? >GLY.D 79 90.87 35.45 62.11 90.21 35.34 62.63 90.54 35.40 62.37 1 0 1000.00 -999 ? >GLU.D 80 92.12 35.45 66.55 93.49 34.61 67.92 92.81 35.03 67.23 2 0 1000.00 -999 ? >ILE.D 81 92.14 41.70 62.81 92.25 42.51 62.71 92.19 42.11 62.76 3 0 1000.00 -999 ? >LEU.D 82 87.21 41.66 64.20 86.63 42.93 62.55 86.92 42.30 63.37 3 0 1000.00 -999 ? >SER~D 83 88.77 39.82 68.35 89.46 39.83 70.67 89.12 39.83 69.51 2 0 1000.00 -999 ? >ILE~D 84 84.49 37.80 67.21 83.56 38.81 66.64 84.02 38.31 66.93 3 0 1000.00 -999 ? >ASP~D 85 87.24 35.65 71.63 87.16 34.43 73.35 87.20 35.04 72.49 2 0 1000.00 -999 ? >GLU~D 86 87.69 41.17 72.62 88.79 41.04 74.40 88.24 41.11 73.51 2 0 1000.00 -999 ? >LYS~D 87 82.06 39.11 73.37 81.37 34.55 70.81 81.71 36.83 72.09 2 0 1000.00 -999 ? >LEU.D 88 83.66 37.69 77.75 85.71 38.30 77.45 84.69 37.99 77.60 3 0 1000.00 -999 ? >GLU.D 89 83.10 42.73 77.67 84.13 44.39 76.89 83.62 43.56 77.28 2 0 1000.00 -999 ? >LYS.D 90 77.44 40.42 76.48 77.23 35.65 79.42 77.34 38.04 77.95 2 0 1000.00 -999 ?