REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-SEP-03 1QYI COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ZR25; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; SOURCE 3 ORGANISM_TAXID: 196620; SOURCE 4 STRAIN: MW2; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR A.P.KUZIN,W.EDSTROM,L.C.MA,L.SHIN,R.XIAO,T.B.ACTON,G.T.MONTELIONE, AUTHOR 2 J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 1 8 HET MSE A 31 8 HET MSE A 80 8 HET MSE A 105 8 HET MSE A 275 8 >MET?A 1 26.38 45.21 82.39 28.23 46.86 85.90 27.31 46.03 84.14 2 0 1000.00 -999 ? >LYS.A 2 26.86 48.76 81.08 27.56 52.32 85.12 27.21 50.54 83.10 2 0 1000.00 -999 ? >LYS^A 3 25.71 49.03 77.49 24.86 44.84 74.35 25.29 46.93 75.92 2 0 1000.00 -999 ? >ILE^A 4 27.10 52.44 74.67 28.13 53.01 73.99 27.61 52.73 74.33 3 0 1000.00 -999 ? >LEU^A 5 21.83 51.03 72.22 21.20 49.37 73.45 21.52 50.20 72.84 3 0 1000.00 -999 ? >PHE^A 6 26.70 53.24 68.83 28.89 54.21 70.27 27.80 53.72 69.55 3 0 1000.00 -999 ? >ASP.A 7 21.18 55.33 65.74 19.92 55.51 64.05 20.55 55.42 64.90 2 0 1000.00 -999 ? >VAL.A 8 23.53 53.82 62.18 23.81 51.95 61.14 23.67 52.88 61.66 3 0 1000.00 -999 ? >ASP.A 9 21.12 56.66 58.99 21.30 55.30 57.37 21.21 55.98 58.18 2 0 1000.00 -999 ? >GLY.A 10 23.07 60.04 61.36 23.58 59.39 61.49 23.32 59.71 61.42 1 0 1000.00 -999 ? >VAL.A 11 25.84 58.53 63.50 25.38 57.50 65.37 25.61 58.02 64.43 3 0 1000.00 -999 ? >PHE.A 12 28.56 54.39 63.26 29.18 53.57 65.89 28.87 53.98 64.57 3 0 1000.00 -999 ? >LEU.A 13 26.49 55.25 57.40 27.67 53.45 57.23 27.08 54.35 57.31 3 0 1000.00 -999 ? >SER.A 14 24.65 59.06 56.21 26.15 60.13 54.61 25.40 59.59 55.41 2 0 1000.00 -999 ? >GLU~A 15 19.82 58.08 55.60 17.91 58.70 56.25 18.87 58.39 55.93 2 0 1000.00 -999 ? >GLU~A 16 24.45 62.55 51.91 23.06 64.00 51.22 23.76 63.27 51.56 2 0 1000.00 -999 ? >ARG~A 17 27.04 56.39 48.24 28.97 57.75 46.26 28.01 57.07 47.25 2 0 1000.00 -999 ? >CYH~A 18 20.25 56.64 48.95 19.55 55.21 51.29 19.90 55.92 50.12 2 0 1000.00 -999 ? >PHE~A 19 19.04 61.41 49.33 18.04 61.57 51.95 18.54 61.49 50.64 3 0 1000.00 -999 ? >ASP~A 20 23.71 58.82 45.29 25.00 60.41 45.74 24.35 59.62 45.51 2 0 1000.00 -999 ? >VAL~A 21 21.04 55.82 43.87 21.33 53.78 44.56 21.19 54.80 44.22 3 0 1000.00 -999 ? >SER~A 22 17.55 57.30 43.73 15.63 58.66 44.34 16.59 57.98 44.03 2 0 1000.00 -999 ? >ALA~A 23 18.89 59.85 41.19 19.94 60.92 41.47 19.41 60.39 41.33 2 0 1000.00 -999 ? >LEU~A 24 21.92 56.32 39.72 23.99 56.73 39.34 22.95 56.53 39.53 3 0 1000.00 -999 ? >THR~A 25 17.65 55.15 39.04 16.52 53.96 40.39 17.09 54.55 39.71 2 0 1000.00 -999 ? >VAL~A 26 15.56 57.84 37.38 14.46 59.50 38.25 15.01 58.67 37.81 3 0 1000.00 -999 ? >TYR~A 27 20.63 59.90 34.47 22.16 61.22 32.51 21.39 60.56 33.49 3 0 1000.00 -999 ? >GLU~A 28 19.99 52.64 34.11 20.04 50.88 35.24 20.01 51.76 34.68 2 0 1000.00 -999 ? >LEU~A 29 14.27 54.66 34.47 13.74 52.91 35.61 14.01 53.79 35.04 3 0 1000.00 -999 ? >LEU~A 30 15.72 58.94 31.71 13.98 60.07 32.24 14.85 59.50 31.98 3 0 1000.00 -999 ? >MET?A 31 18.80 57.19 28.98 18.88 60.49 28.94 18.84 58.84 28.96 2 0 1000.00 -999 ? >ASP~A 32 19.60 52.47 30.02 20.73 50.77 29.45 20.17 51.62 29.73 2 0 1000.00 -999 ? >LYS.A 33 18.47 51.71 25.68 17.35 54.52 22.02 17.91 53.11 23.85 2 0 1000.00 -999 ? >CYH.A 34 17.20 48.94 28.01 18.85 46.97 29.14 18.03 47.95 28.57 2 0 1000.00 -999 ? >TYR.A 35 14.90 50.77 31.26 15.93 48.88 33.06 15.42 49.83 32.16 3 0 1000.00 -999 ? >LEU.A 36 13.06 55.85 27.98 10.98 56.44 28.13 12.02 56.14 28.05 3 0 1000.00 -999 ? >GLY.A 37 16.90 55.33 25.83 16.23 55.83 25.92 16.57 55.58 25.88 1 0 1000.00 -999 ? >LEU.A 38 15.67 59.94 26.46 13.70 60.71 26.93 14.69 60.33 26.70 3 0 1000.00 -999 ? >HIS.A 39 18.61 62.54 24.65 16.97 63.65 23.94 17.79 63.09 24.29 3 0 1000.00 -999 ? >SER.A 40 23.28 59.14 24.97 24.94 60.92 24.55 24.11 60.03 24.76 2 0 1000.00 -999 ? >HIS.A 41 23.49 56.61 28.92 23.47 54.54 28.61 23.48 55.58 28.76 3 0 1000.00 -999 ? >ILE.A 42 28.59 58.56 31.37 29.25 58.69 32.59 28.92 58.63 31.98 3 0 1000.00 -999 ? >ASP~A 43 30.09 53.42 30.29 29.97 51.31 30.40 30.03 52.36 30.35 2 0 1000.00 -999 ? >TRP~A 44 24.05 51.92 32.58 23.06 55.69 33.10 23.55 53.81 32.84 3 0 1000.00 -999 ? >GLU~A 45 31.44 48.67 34.73 31.85 46.91 33.65 31.65 47.79 34.19 2 0 1000.00 -999 ? >THR~A 46 32.52 53.76 34.77 33.03 53.73 32.66 32.77 53.75 33.71 2 0 1000.00 -999 ? >LEU~A 47 29.25 56.10 37.51 27.28 56.29 36.69 28.26 56.19 37.10 3 0 1000.00 -999 ? >THR~A 48 32.60 58.48 39.37 33.58 59.93 38.10 33.09 59.20 38.73 2 0 1000.00 -999 ? >ASP~A 49 32.49 60.40 43.82 32.22 58.82 45.20 32.36 59.61 44.51 2 0 1000.00 -999 ? >ASN~A 50 32.60 64.02 39.74 34.38 63.94 40.90 33.49 63.98 40.32 2 0 1000.00 -999 ? >ASP~A 51 29.48 60.60 36.87 31.39 60.41 35.94 30.43 60.51 36.41 2 0 1000.00 -999 ? >ILE~A 52 27.08 59.68 41.34 27.02 58.43 42.02 27.05 59.06 41.68 3 0 1000.00 -999 ? >GLN~A 53 27.82 64.99 43.96 27.02 63.36 45.11 27.42 64.17 44.53 2 0 1000.00 -999 ? >ASP~A 54 27.00 65.72 37.31 26.18 66.84 35.74 26.59 66.28 36.53 2 0 1000.00 -999 ? >ILE~A 55 23.51 61.84 37.62 23.63 60.65 36.98 23.57 61.25 37.30 3 0 1000.00 -999 ? >ARG~A 56 22.35 63.73 44.94 22.01 63.98 47.96 22.18 63.86 46.45 2 0 1000.00 -999 ? >ASN~A 57 23.34 68.33 40.43 23.08 70.40 40.10 23.21 69.37 40.27 2 0 1000.00 -999 ? >ARG~A 58 22.30 66.84 34.06 20.72 66.12 31.51 21.51 66.48 32.78 2 0 1000.00 -999 ? >ILE~A 59 17.70 63.65 38.70 17.05 62.94 37.60 17.37 63.29 38.15 3 0 1000.00 -999 ? >PHE~A 60 16.71 64.73 43.11 16.08 62.02 43.45 16.40 63.37 43.28 3 0 1000.00 -999 ? >GLN~A 61 15.78 70.58 39.01 16.85 71.37 37.35 16.32 70.97 38.18 2 0 1000.00 -999 ? >LYS.A 62 20.06 71.05 43.56 25.09 73.04 43.05 22.58 72.04 43.31 2 0 1000.00 -999 ? >ASP~A 63 18.84 68.62 46.91 20.16 66.99 46.74 19.50 67.80 46.82 2 0 1000.00 -999 ? >LYS~A 64 15.02 71.18 45.51 15.86 75.76 41.65 15.44 73.47 43.58 2 0 1000.00 -999 ? >ILE~A 65 12.99 67.57 42.85 12.58 67.20 41.49 12.79 67.38 42.17 3 0 1000.00 -999 ? >LEU~A 66 15.80 65.68 46.80 16.68 64.01 47.85 16.24 64.85 47.32 3 0 1000.00 -999 ? >ASN~A 67 14.30 69.62 49.99 16.36 69.28 50.36 15.33 69.45 50.18 2 0 1000.00 -999 ? >LYS~A 68 9.99 69.16 48.48 6.40 72.66 48.01 8.20 70.91 48.24 2 0 1000.00 -999 ? >LEU~A 69 9.75 64.36 47.73 9.62 64.00 45.61 9.69 64.18 46.67 3 0 1000.00 -999 ? >LYS~A 70 10.23 65.36 52.13 15.19 63.75 53.06 12.71 64.55 52.60 2 0 1000.00 -999 ? >SER~A 71 8.10 68.29 53.27 7.73 70.00 51.56 7.92 69.15 52.42 2 0 1000.00 -999 ? >LEU~A 72 4.88 66.57 50.13 4.38 68.36 48.99 4.63 67.47 49.56 3 0 1000.00 -999 ? >GLY.A 73 5.49 63.26 53.45 5.90 63.32 52.77 5.69 63.29 53.11 1 0 1000.00 -999 ? >LEU.A 74 7.38 61.57 49.36 6.37 60.18 48.07 6.87 60.88 48.72 3 0 1000.00 -999 ? >ASN.A 75 10.57 60.12 54.21 9.96 62.04 54.88 10.27 61.08 54.54 2 0 1000.00 -999 ? >SER~A 76 10.78 56.63 50.96 10.09 54.44 50.17 10.43 55.53 50.56 2 0 1000.00 -999 ? >ASN~A 77 14.87 56.16 48.30 16.04 57.24 49.70 15.45 56.70 49.00 2 0 1000.00 -999 ? >TRP~A 78 13.22 51.65 46.68 11.92 49.00 49.31 12.57 50.33 47.99 3 0 1000.00 -999 ? >ASP~A 79 7.56 56.74 47.35 6.57 55.07 48.21 7.06 55.91 47.78 2 0 1000.00 -999 ? >MET?A 80 10.47 59.51 45.44 12.60 61.35 48.65 11.53 60.43 47.05 2 0 1000.00 -999 ? >LEU~A 81 13.42 57.09 42.45 13.34 54.93 42.46 13.38 56.01 42.45 3 0 1000.00 -999 ? >PHE~A 82 6.87 55.43 41.13 4.53 54.73 39.74 5.70 55.08 40.43 3 0 1000.00 -999 ? >ILE~A 83 6.72 60.83 42.49 5.86 60.80 42.74 6.28 60.82 42.61 3 0 1000.00 -999 ? >VAL~A 84 10.05 61.94 39.69 11.92 62.80 40.42 10.98 62.37 40.05 3 0 1000.00 -999 ? >PHE~A 85 10.87 57.22 35.73 10.76 55.86 33.28 10.81 56.54 34.51 3 0 1000.00 -999 ? >SER~A 86 6.59 59.38 36.22 5.56 57.72 37.67 6.08 58.55 36.94 2 0 1000.00 -999 ? >ILE~A 87 7.06 64.20 36.72 5.85 64.88 37.04 6.46 64.54 36.88 3 0 1000.00 -999 ? >HIS~A 88 11.28 63.55 33.89 12.21 65.17 34.85 11.75 64.36 34.37 3 0 1000.00 -999 ? >LEU~A 89 7.03 58.45 32.28 6.63 56.60 31.26 6.83 57.53 31.77 3 0 1000.00 -999 ? >ILE~A 90 3.21 62.06 32.58 2.19 62.11 33.48 2.70 62.08 33.03 3 0 1000.00 -999 ? >ASP~A 91 7.07 65.15 30.45 7.45 67.06 29.64 7.26 66.10 30.04 2 0 1000.00 -999 ? >ILE~A 92 8.45 61.16 27.22 9.81 60.66 27.09 9.13 60.91 27.15 3 0 1000.00 -999 ? >LEU~A 93 3.28 59.65 27.51 3.71 57.62 28.01 3.50 58.63 27.76 3 0 1000.00 -999 ? >LYS~A 94 2.25 63.77 25.74 2.06 68.69 28.91 2.15 66.23 27.33 2 0 1000.00 -999 ? >LYS.A 95 4.42 64.06 22.62 8.76 67.02 23.00 6.59 65.54 22.81 2 0 1000.00 -999 ? >LEU.A 96 3.29 59.49 21.53 5.20 58.51 21.68 4.25 59.00 21.61 3 0 1000.00 -999 ? >SER~A 97 -0.38 60.39 19.33 -0.59 58.32 18.07 -0.49 59.35 18.70 2 0 1000.00 -999 ? >HIS~A 98 -5.51 59.23 22.63 -6.45 58.62 24.41 -5.98 58.93 23.52 3 0 1000.00 -999 ? >ASP~A 99 -3.06 55.69 18.21 -5.03 55.62 17.47 -4.04 55.65 17.84 2 0 1000.00 -999 ? >GLU~A 100 1.76 56.50 18.63 3.26 57.79 17.89 2.51 57.15 18.26 2 0 1000.00 -999 ? >ILE~A 101 -1.00 57.60 24.64 -1.05 58.85 25.42 -1.03 58.23 25.03 3 0 1000.00 -999 ? >GLU~A 102 -5.02 55.06 23.84 -7.11 54.81 23.97 -6.06 54.94 23.91 2 0 1000.00 -999 ? >ALA~A 103 -0.50 51.26 23.31 0.37 51.45 22.08 -0.07 51.36 22.70 2 0 1000.00 -999 ? >PHE~A 104 3.81 53.14 27.35 5.23 53.29 29.75 4.52 53.22 28.55 3 0 1000.00 -999 ? >MET?A 105 -0.64 52.27 28.58 -0.11 55.37 30.39 -0.38 53.82 29.49 2 0 1000.00 -999 ? >TYR~A 106 -4.66 50.76 27.88 -5.68 53.01 29.22 -5.17 51.89 28.55 3 0 1000.00 -999 ? >GLN~A 107 1.08 46.27 23.78 -0.17 47.00 22.19 0.46 46.64 22.98 2 0 1000.00 -999 ? >ASP.A 108 -0.84 41.93 26.78 -2.96 41.88 26.77 -1.90 41.91 26.77 2 0 1000.00 -999 ? >GLU.A 109 4.24 42.76 24.93 5.50 43.29 23.32 4.87 43.03 24.13 2 0 1000.00 -999 ? >PRO~A 110 7.09 42.86 29.74 5.22 44.04 29.87 6.15 43.45 29.81 3 0 1000.00 -999 ? >VAL~A 111 6.06 48.16 30.87 5.17 48.82 32.75 5.61 48.49 31.81 3 0 1000.00 -999 ? >GLU~A 112 11.90 46.17 31.32 12.92 45.02 32.75 12.41 45.59 32.03 2 0 1000.00 -999 ? >LEU~A 113 9.20 44.94 26.87 10.37 43.14 27.16 9.79 44.04 27.01 3 0 1000.00 -999 ? >LYS~A 114 6.84 48.83 26.38 1.50 48.45 28.95 4.17 48.64 27.67 2 0 1000.00 -999 ? >LEU~A 115 9.99 51.72 28.72 9.42 52.67 30.60 9.70 52.19 29.66 3 0 1000.00 -999 ? >GLN~A 116 12.74 48.68 25.89 13.24 46.61 25.83 12.99 47.64 25.86 2 0 1000.00 -999 ? >ASN~A 117 7.86 50.43 21.75 8.56 48.42 21.73 8.21 49.43 21.74 2 0 1000.00 -999 ? >ILE~A 118 8.26 55.60 24.19 7.48 56.03 25.30 7.87 55.82 24.75 3 0 1000.00 -999 ? >SER~A 119 11.61 56.94 21.58 13.95 57.59 21.84 12.78 57.26 21.71 2 0 1000.00 -999 ? >THR~A 120 11.15 55.65 18.01 10.95 53.49 18.11 11.05 54.57 18.06 2 0 1000.00 -999 ? >ASN~A 121 6.55 56.86 18.37 6.22 54.91 17.61 6.39 55.88 17.99 2 0 1000.00 -999 ? >LEU~A 122 10.34 61.06 19.77 10.17 61.18 21.90 10.25 61.12 20.84 3 0 1000.00 -999 ? >ALA.A 123 8.66 63.35 15.97 7.42 64.23 15.80 8.04 63.79 15.88 2 0 1000.00 -999 ? >ASP.A 124 10.62 67.37 17.56 8.85 67.90 16.53 9.74 67.63 17.05 2 0 1000.00 -999 ? >CYH.A 125 14.00 65.70 19.61 16.51 66.05 20.80 15.25 65.88 20.21 2 0 1000.00 -999 ? >PHE.A 126 11.40 64.46 25.15 10.47 65.08 27.72 10.94 64.77 26.44 3 0 1000.00 -999 ? >ASN.A 127 13.95 69.47 25.50 14.54 70.05 23.51 14.25 69.76 24.50 2 0 1000.00 -999 ? >LEU.A 128 15.40 66.38 30.06 15.46 64.75 31.47 15.43 65.56 30.77 3 0 1000.00 -999 ? >ASN.A 129 11.46 70.01 30.75 10.40 71.40 31.99 10.93 70.71 31.37 2 0 1000.00 -999 ? >GLU.A 130 16.62 69.14 34.46 16.74 69.17 32.34 16.68 69.16 33.40 2 0 1000.00 -999 ? >GLN.A 131 12.05 73.71 37.09 13.88 74.25 38.04 12.97 73.98 37.57 2 0 1000.00 -999 ? >LEU.A 132 8.43 68.72 34.41 6.50 68.46 33.48 7.47 68.59 33.95 3 0 1000.00 -999 ? >PRO~A 133 10.74 66.91 38.21 8.67 67.72 38.02 9.71 67.31 38.11 3 0 1000.00 -999 ? >LEU~A 134 10.36 71.22 40.92 11.11 72.37 42.57 10.74 71.80 41.74 3 0 1000.00 -999 ? >GLN~A 135 8.01 73.87 37.60 8.42 74.46 35.59 8.22 74.16 36.59 2 0 1000.00 -999 ? >PHE~A 136 3.79 66.93 39.70 2.10 64.94 40.72 2.94 65.94 40.21 3 0 1000.00 -999 ? >LEU~A 137 5.51 69.03 44.18 6.49 67.11 44.21 6.00 68.07 44.19 3 0 1000.00 -999 ? >ASP~A 138 3.20 73.96 42.11 4.96 74.82 41.32 4.08 74.39 41.71 2 0 1000.00 -999 ? >ASN.A 139 -1.19 73.26 43.82 -1.53 72.62 41.82 -1.36 72.94 42.82 2 0 1000.00 -999 ? >VAL.A 140 -0.21 69.05 46.18 0.81 67.46 45.07 0.30 68.26 45.63 3 0 1000.00 -999 ? >LYS.A 141 -1.63 68.24 49.63 -6.48 65.68 52.08 -4.06 66.96 50.86 2 0 1000.00 -999 ? >VAL.A 142 0.80 66.73 52.12 2.00 67.56 53.74 1.40 67.14 52.93 3 0 1000.00 -999 ? >GLY~A 143 0.51 62.95 52.43 0.89 63.16 51.73 0.70 63.05 52.08 1 0 1000.00 -999 ? >LYS~A 144 1.89 60.01 50.46 4.47 54.22 50.44 3.18 57.12 50.45 2 0 1000.00 -999 ? >ASN~A 145 -2.69 58.45 50.53 -2.99 60.05 51.93 -2.84 59.25 51.23 2 0 1000.00 -999 ? >ASN~A 146 -2.46 63.56 49.31 -3.59 63.24 51.08 -3.02 63.40 50.19 2 0 1000.00 -999 ? >ILE~A 147 2.20 62.40 46.87 3.50 62.82 47.21 2.85 62.61 47.04 3 0 1000.00 -999 ? >TYR~A 148 1.17 57.33 45.08 3.73 56.17 44.97 2.45 56.75 45.02 3 0 1000.00 -999 ? >ALA~A 149 -3.57 60.78 43.76 -4.57 61.22 44.84 -4.07 61.00 44.30 2 0 1000.00 -999 ? >ALA~A 150 -2.18 64.00 42.25 -1.28 65.00 42.97 -1.73 64.50 42.61 2 0 1000.00 -999 ? >LEU~A 151 1.23 60.97 40.64 2.66 59.89 39.45 1.95 60.43 40.05 3 0 1000.00 -999 ? >GLU~A 152 -4.43 57.99 38.94 -5.16 56.48 40.22 -4.80 57.24 39.58 2 0 1000.00 -999 ? >GLU~A 153 -5.90 65.25 38.64 -7.93 65.37 38.06 -6.91 65.31 38.35 2 0 1000.00 -999 ? >PHE~A 154 0.18 65.61 36.07 1.92 67.17 34.54 1.05 66.39 35.31 3 0 1000.00 -999 ? >ALA~A 155 -1.60 61.55 34.03 -1.18 60.17 34.51 -1.39 60.86 34.27 2 0 1000.00 -999 ? >THR~A 156 -5.31 61.31 33.11 -6.51 60.99 34.90 -5.91 61.15 34.01 2 0 1000.00 -999 ? >THR~A 157 -5.71 65.02 32.33 -5.66 66.14 34.20 -5.68 65.58 33.26 2 0 1000.00 -999 ? >GLU~A 158 -0.72 66.34 32.12 -0.80 68.19 31.13 -0.76 67.26 31.63 2 0 1000.00 -999 ? >LEU~A 159 -2.05 60.70 29.11 0.04 60.66 29.66 -1.00 60.68 29.38 3 0 1000.00 -999 ? >HIS.A 160 -6.41 64.58 26.56 -6.40 66.68 26.65 -6.40 65.63 26.60 3 0 1000.00 -999 ? >VAL.A 161 -7.12 59.06 29.39 -5.85 57.38 29.88 -6.49 58.22 29.64 3 0 1000.00 -999 ? >SER.A 162 -9.10 57.69 32.35 -10.67 56.21 31.23 -9.89 56.95 31.79 2 0 1000.00 -999 ? >ASP.A 163 -6.67 53.51 32.70 -6.53 51.65 33.70 -6.60 52.58 33.20 2 0 1000.00 -999 ? >ALA~A 164 -3.72 55.76 34.76 -4.03 57.20 35.22 -3.88 56.48 34.99 2 0 1000.00 -999 ? >THR~A 165 -3.46 52.71 37.07 -5.16 51.41 36.69 -4.31 52.06 36.88 2 0 1000.00 -999 ? >LEU~A 166 0.34 52.40 34.12 1.66 51.36 32.77 1.00 51.88 33.45 3 0 1000.00 -999 ? >PHE~A 167 1.41 56.72 36.16 2.20 57.43 33.58 1.80 57.07 34.87 3 0 1000.00 -999 ? >SER~A 168 -0.36 53.21 40.92 -0.77 50.85 40.45 -0.56 52.03 40.68 2 0 1000.00 -999 ? >LEU.A 169 1.22 53.07 45.44 2.53 53.07 47.14 1.87 53.07 46.29 3 0 1000.00 -999 ? >LYS.A 170 3.40 49.23 44.16 4.26 47.88 49.38 3.83 48.55 46.77 2 0 1000.00 -999 ? >GLY~A 171 2.32 48.93 40.52 3.10 48.84 40.78 2.71 48.89 40.65 1 0 1000.00 -999 ? >ALA~A 172 4.16 47.18 37.71 3.57 46.71 36.38 3.87 46.94 37.05 2 0 1000.00 -999 ? >LEU~A 173 5.46 51.71 36.40 6.83 53.29 35.82 6.15 52.50 36.11 3 0 1000.00 -999 ? >TRP~A 174 6.26 52.83 43.47 7.58 49.99 45.85 6.92 51.41 44.66 3 0 1000.00 -999 ? >THR~A 175 8.08 47.46 40.90 7.08 45.54 41.14 7.58 46.50 41.02 2 0 1000.00 -999 ? >LEU~A 176 9.97 48.57 36.55 11.28 48.48 34.82 10.62 48.53 35.69 3 0 1000.00 -999 ? >ALA~A 177 11.82 51.33 39.26 11.01 52.59 39.46 11.41 51.96 39.36 2 0 1000.00 -999 ? >GLN~A 178 11.47 49.11 45.00 11.66 47.05 45.49 11.57 48.08 45.25 2 0 1000.00 -999 ? >GLU~A 179 12.32 44.99 40.77 11.75 43.33 39.58 12.04 44.16 40.18 2 0 1000.00 -999 ? >VAL~A 180 16.45 49.04 39.38 16.22 50.14 37.52 16.33 49.59 38.45 3 0 1000.00 -999 ? >TYR~A 181 16.75 52.29 44.68 17.69 53.34 47.08 17.22 52.81 45.88 3 0 1000.00 -999 ? >GLN~A 182 15.64 47.19 45.78 16.30 47.69 47.76 15.97 47.44 46.77 2 0 1000.00 -999 ? >GLU~A 183 20.63 44.63 40.34 20.49 44.05 38.31 20.56 44.34 39.32 2 0 1000.00 -999 ? >TRP~A 184 20.38 52.28 39.64 24.00 52.24 38.12 22.19 52.26 38.88 3 0 1000.00 -999 ? >TYR~A 185 21.51 50.67 48.05 22.21 51.75 50.53 21.86 51.21 49.29 3 0 1000.00 -999 ? >LEU~A 186 21.67 45.07 47.08 20.11 45.15 48.58 20.89 45.11 47.83 3 0 1000.00 -999 ? >GLY~A 187 24.55 45.22 43.61 23.78 44.87 43.84 24.16 45.05 43.72 1 0 1000.00 -999 ? >SER~A 188 23.73 42.28 41.32 24.36 42.96 39.08 24.05 42.62 40.20 2 0 1000.00 -999 ? >LYS~A 189 24.94 39.56 43.70 27.71 35.73 46.14 26.33 37.65 44.92 2 0 1000.00 -999 ? >LEU~A 190 23.70 41.98 47.69 25.11 41.78 49.34 24.41 41.88 48.51 3 0 1000.00 -999 ? >TYR~A 191 18.85 42.51 42.72 16.35 42.81 41.49 17.60 42.66 42.11 3 0 1000.00 -999 ? >GLU~A 192 20.88 37.93 41.57 21.49 36.60 40.00 21.19 37.26 40.79 2 0 1000.00 -999 ? >ASP~A 193 21.29 36.74 48.05 21.21 35.31 49.59 21.25 36.02 48.82 2 0 1000.00 -999 ? >VAL~A 194 17.91 39.58 49.01 18.61 41.33 50.11 18.26 40.45 49.56 3 0 1000.00 -999 ? >GLU~A 195 15.78 42.69 45.76 14.40 43.41 47.17 15.09 43.05 46.47 2 0 1000.00 -999 ? >LYS~A 196 15.15 36.65 45.18 17.05 34.15 48.70 16.10 35.40 46.94 2 0 1000.00 -999 ? >LYS.A 197 15.16 37.87 41.59 10.83 42.34 42.66 13.00 40.11 42.13 2 0 1000.00 -999 ? >ILE.A 198 17.32 36.69 37.40 17.17 35.85 37.47 17.24 36.27 37.43 3 0 1000.00 -999 ? >ALA.A 199 19.93 40.47 38.17 21.38 40.49 38.59 20.65 40.48 38.38 2 0 1000.00 -999 ? >ARG.A 200 16.40 44.99 34.98 13.81 44.37 36.48 15.11 44.68 35.73 2 0 1000.00 -999 ? >THR.A 201 23.11 43.64 34.84 23.07 45.66 35.66 23.09 44.65 35.25 2 0 1000.00 -999 ? >THR.A 202 26.54 42.18 35.64 26.75 40.91 33.90 26.64 41.55 34.77 2 0 1000.00 -999 ? >PHE.A 203 27.31 47.06 34.59 24.87 48.23 33.93 26.09 47.64 34.26 3 0 1000.00 -999 ? >LYS.A 204 26.56 46.82 39.25 20.95 49.37 37.69 23.76 48.09 38.47 2 0 1000.00 -999 ? >THR.A 205 28.79 46.25 42.29 30.62 47.17 41.70 29.70 46.71 41.99 2 0 1000.00 -999 ? >GLY.A 206 26.50 47.97 44.78 27.17 48.35 44.60 26.84 48.16 44.69 1 0 1000.00 -999 ? >TYR.A 207 26.58 53.08 44.49 27.46 53.73 41.93 27.02 53.40 43.21 3 0 1000.00 -999 ? >ILE.A 208 25.51 48.31 49.87 25.35 47.04 50.52 25.43 47.68 50.19 3 0 1000.00 -999 ? >TYR.A 209 30.15 46.74 48.76 29.26 44.09 48.87 29.70 45.42 48.81 3 0 1000.00 -999 ? >GLN.A 210 31.24 52.16 46.54 31.81 52.93 44.65 31.53 52.54 45.59 2 0 1000.00 -999 ? >GLU.A 211 26.73 53.77 53.52 24.98 53.16 52.44 25.85 53.47 52.98 2 0 1000.00 -999 ? >ILE.A 212 28.16 58.99 52.47 27.44 58.72 52.04 27.80 58.85 52.26 3 0 1000.00 -999 ? >ILE.A 213 32.53 57.43 56.23 32.50 55.98 56.37 32.51 56.70 56.30 3 0 1000.00 -999 ? >LEU.A 214 29.10 60.40 59.65 27.00 60.86 59.36 28.05 60.63 59.50 3 0 1000.00 -999 ? >ARG.A 215 33.48 61.63 63.90 36.13 63.08 64.26 34.81 62.35 64.08 2 0 1000.00 -999 ? >PRO~A 216 37.68 60.70 59.69 36.32 58.94 59.82 37.00 59.82 59.75 3 0 1000.00 -999 ? >VAL~A 217 36.60 54.77 60.34 35.80 53.15 59.16 36.20 53.96 59.75 3 0 1000.00 -999 ? >ASP~A 218 41.42 54.95 60.81 41.50 57.04 60.54 41.46 55.99 60.68 2 0 1000.00 -999 ? >GLU~A 219 39.91 59.59 64.27 39.33 61.57 63.75 39.62 60.58 64.01 2 0 1000.00 -999 ? >VAL~A 220 36.00 55.37 65.32 34.53 55.28 63.69 35.26 55.32 64.50 3 0 1000.00 -999 ? >LYS~A 221 37.75 51.99 65.43 39.13 49.48 59.75 38.44 50.73 62.59 2 0 1000.00 -999 ? >VAL~A 222 39.84 53.42 68.29 41.74 54.51 68.30 40.79 53.96 68.30 3 0 1000.00 -999 ? >LEU~A 223 35.87 55.97 69.39 34.14 56.94 70.26 35.01 56.45 69.83 3 0 1000.00 -999 ? >LEU~A 224 34.40 50.98 68.61 32.62 51.55 67.52 33.51 51.26 68.06 3 0 1000.00 -999 ? >ASN~A 225 39.26 49.77 70.29 40.63 48.28 70.94 39.95 49.03 70.62 2 0 1000.00 -999 ? >ASP~A 226 38.91 53.44 74.09 40.69 53.79 73.01 39.80 53.61 73.55 2 0 1000.00 -999 ? >LEU~A 227 33.63 52.11 73.71 32.87 54.08 73.24 33.25 53.09 73.48 3 0 1000.00 -999 ? >LYS~A 228 35.04 48.15 75.15 33.09 44.57 71.18 34.07 46.36 73.16 2 0 1000.00 -999 ? >GLY~A 229 38.23 48.69 77.12 37.48 48.97 77.29 37.86 48.83 77.20 1 0 1000.00 -999 ? >ALA~A 230 36.19 50.65 79.66 35.75 52.08 79.40 35.97 51.37 79.53 2 0 1000.00 -999 ? >GLY.A 231 33.93 47.67 80.25 33.78 48.23 79.70 33.85 47.95 79.97 1 0 1000.00 -999 ? >PHE.A 232 30.85 51.25 78.00 30.07 53.26 79.77 30.46 52.26 78.88 3 0 1000.00 -999 ? >GLU^A 233 28.05 44.05 75.91 29.82 42.98 76.36 28.93 43.52 76.14 2 0 1000.00 -999 ? >LEU^A 234 29.22 47.98 71.26 30.89 49.31 71.61 30.05 48.65 71.43 3 0 1000.00 -999 ? >GLY^A 235 24.82 47.46 70.50 25.19 48.14 70.24 25.01 47.80 70.37 1 0 1000.00 -999 ? >ILE^A 236 23.73 48.10 65.94 24.26 49.40 65.40 24.00 48.75 65.67 3 0 1000.00 -999 ? >ALA^A 237 19.40 49.56 66.59 18.60 50.03 67.82 19.00 49.80 67.20 2 0 1000.00 -999 ? >THR.A 238 18.67 50.95 63.10 19.80 50.56 61.29 19.24 50.75 62.19 2 0 1000.00 -999 ? >GLY.A 239 15.83 51.41 60.63 16.60 51.13 60.39 16.21 51.27 60.51 1 0 1000.00 -999 ? >ARG.A 240 21.44 51.45 57.35 23.27 52.80 55.31 22.36 52.13 56.33 2 0 1000.00 -999 ? >PRO~A 241 17.24 46.86 54.74 17.37 46.89 56.97 17.30 46.87 55.86 3 0 1000.00 -999 ? >TYR~A 242 20.61 41.01 58.12 22.83 39.42 58.73 21.72 40.22 58.43 3 0 1000.00 -999 ? >THR~A 243 21.92 43.52 54.76 20.72 42.92 53.10 21.32 43.22 53.93 2 0 1000.00 -999 ? >GLU~A 244 20.58 48.43 52.81 18.53 48.69 52.32 19.55 48.56 52.56 2 0 1000.00 -999 ? >THR~A 245 23.48 47.19 58.09 22.22 47.36 59.83 22.85 47.27 58.96 2 0 1000.00 -999 ? >VAL~A 246 25.79 44.16 58.13 25.64 42.03 58.61 25.72 43.10 58.37 3 0 1000.00 -999 ? >VAL~A 247 27.39 44.50 54.66 26.74 43.96 52.65 27.07 44.23 53.66 3 0 1000.00 -999 ? >PRO~A 248 26.08 48.63 54.69 27.99 47.54 55.05 27.03 48.08 54.87 3 0 1000.00 -999 ? >PHE~A 249 28.41 48.56 60.60 27.39 50.81 61.92 27.90 49.68 61.26 3 0 1000.00 -999 ? >GLU~A 250 31.47 42.47 55.85 33.17 41.69 56.78 32.32 42.08 56.32 2 0 1000.00 -999 ? >ASN~A 251 32.43 46.68 53.26 33.65 47.92 52.00 33.04 47.30 52.63 2 0 1000.00 -999 ? >LEU~A 252 33.26 50.08 57.24 32.34 51.64 56.09 32.80 50.86 56.66 3 0 1000.00 -999 ? >GLY.A 253 35.69 46.92 59.53 35.02 47.37 59.66 35.36 47.14 59.59 1 0 1000.00 -999 ? >LEU~A 254 32.32 49.19 62.03 32.89 51.24 61.66 32.61 50.21 61.85 3 0 1000.00 -999 ? >LEU~A 255 31.06 43.83 61.38 29.22 42.75 61.13 30.14 43.29 61.26 3 0 1000.00 -999 ? >PRO~A 256 35.30 43.03 62.81 33.62 43.48 64.19 34.46 43.26 63.50 3 0 1000.00 -999 ? >TYR~A 257 34.76 47.40 67.00 37.42 47.87 66.28 36.09 47.63 66.64 3 0 1000.00 -999 ? >PHE~A 258 28.77 46.79 66.54 29.29 49.53 66.53 29.03 48.16 66.54 3 0 1000.00 -999 ? >GLU~A 259 28.64 39.45 70.39 30.68 39.95 70.43 29.66 39.70 70.41 2 0 1000.00 -999 ? >ALA~A 260 25.64 39.75 65.96 25.85 38.53 65.07 25.74 39.14 65.51 2 0 1000.00 -999 ? >ASP~A 261 23.29 37.99 69.85 21.91 36.40 69.71 22.60 37.19 69.78 2 0 1000.00 -999 ? >PHE.A 262 24.15 42.17 71.90 24.36 40.41 74.06 24.26 41.29 72.98 3 0 1000.00 -999 ? >ILE^A 263 23.18 43.89 65.15 24.29 44.30 64.24 23.73 44.10 64.69 3 0 1000.00 -999 ? >ALA^A 264 18.56 45.01 65.90 17.74 45.57 67.05 18.15 45.29 66.47 2 0 1000.00 -999 ? >THR~A 265 17.38 46.04 62.42 18.58 44.66 61.26 17.98 45.35 61.84 2 0 1000.00 -999 ? >ALA~A 266 14.24 46.78 60.41 14.20 47.70 59.19 14.22 47.24 59.80 2 0 1000.00 -999 ? >SER~A 267 14.15 43.11 59.51 15.85 42.76 57.80 15.00 42.93 58.65 2 0 1000.00 -999 ? >ASP~A 268 14.58 42.46 64.32 16.51 41.72 63.98 15.54 42.09 64.15 2 0 1000.00 -999 ? >VAL~A 269 10.79 44.66 63.65 11.44 46.71 63.24 11.12 45.68 63.44 3 0 1000.00 -999 ? >LEU~A 270 10.07 43.27 59.09 8.69 42.21 57.81 9.38 42.74 58.45 3 0 1000.00 -999 ? >GLU~A 271 10.81 37.51 62.28 9.33 36.67 61.02 10.07 37.09 61.65 2 0 1000.00 -999 ? >ALA~A 272 8.33 40.61 65.16 8.96 41.64 66.09 8.65 41.12 65.62 2 0 1000.00 -999 ? >GLU~A 273 5.92 44.65 63.22 6.04 46.26 61.85 5.98 45.46 62.54 2 0 1000.00 -999 ? >ASN~A 274 5.31 38.45 60.56 5.45 39.64 58.78 5.38 39.04 59.67 2 0 1000.00 -999 ? >MET?A 275 4.45 36.98 64.83 8.34 35.90 66.16 6.39 36.44 65.49 2 0 1000.00 -999 ? >TYR~A 276 3.86 39.01 68.73 5.33 36.98 69.96 4.59 37.99 69.35 3 0 1000.00 -999 ? >PRO.A 277 -0.75 39.52 63.82 0.75 41.01 64.49 0.00 40.26 64.15 3 0 1000.00 -999 ? >GLN.A 278 -4.27 42.06 66.30 -4.86 43.64 65.00 -4.57 42.85 65.65 2 0 1000.00 -999 ? >ALA.A 279 1.12 44.48 68.31 2.37 43.64 68.50 1.74 44.06 68.40 2 0 1000.00 -999 ? >ARG.A 280 0.27 48.93 69.70 1.52 46.63 71.32 0.90 47.78 70.51 2 0 1000.00 -999 ? >PRO.A 281 2.91 51.11 64.71 3.17 48.90 64.82 3.04 50.01 64.76 3 0 1000.00 -999 ? >LEU.A 282 7.55 46.67 66.36 6.31 45.31 67.52 6.93 45.99 66.94 3 0 1000.00 -999 ? >GLY.A 283 8.94 50.87 64.25 8.89 50.81 65.05 8.91 50.84 64.65 1 0 1000.00 -999 ? >LYS.A 284 11.78 53.06 65.57 17.19 53.36 65.72 14.48 53.21 65.65 2 0 1000.00 -999 ? >PRO.A 285 8.38 55.89 65.87 9.80 54.83 67.21 9.09 55.36 66.54 3 0 1000.00 -999 ? >ASN.A 286 7.92 50.84 69.08 7.45 49.31 70.51 7.69 50.08 69.79 2 0 1000.00 -999 ? >PRO~A 287 10.29 51.09 73.60 11.18 51.17 71.56 10.73 51.13 72.58 3 0 1000.00 -999 ? >PHE~A 288 10.85 45.42 69.09 11.60 42.88 68.18 11.23 44.15 68.64 3 0 1000.00 -999 ? >SER~A 289 14.64 47.29 68.50 14.80 49.45 67.42 14.72 48.37 67.96 2 0 1000.00 -999 ? >TYR~A 290 17.16 51.51 71.07 18.61 53.43 69.62 17.89 52.47 70.35 3 0 1000.00 -999 ? >ILE~A 291 13.85 46.24 74.07 12.77 46.29 75.08 13.31 46.27 74.57 3 0 1000.00 -999 ? >ALA~A 292 16.36 43.63 71.34 15.78 43.44 69.95 16.07 43.54 70.64 2 0 1000.00 -999 ? >ALA~A 293 19.81 45.16 70.93 20.06 46.49 70.25 19.94 45.82 70.59 2 0 1000.00 -999 ? >LEU~A 294 19.30 46.26 75.53 19.50 46.95 77.57 19.40 46.61 76.55 3 0 1000.00 -999 ? >TYR~A 295 17.19 42.68 77.60 16.40 44.62 79.46 16.80 43.65 78.53 3 0 1000.00 -999 ? >GLY~A 296 19.59 39.83 72.88 18.91 40.35 72.77 19.25 40.09 72.82 1 0 1000.00 -999 ? >ASN.A 297 18.72 40.08 68.24 17.41 40.30 66.58 18.07 40.19 67.41 2 0 1000.00 -999 ? >ASN~A 298 16.68 35.13 70.68 15.70 33.24 70.65 16.19 34.18 70.66 2 0 1000.00 -999 ? >ARG~A 299 12.81 33.41 64.99 9.78 33.41 64.53 11.29 33.41 64.76 2 0 1000.00 -999 ? >ASP~A 300 12.44 32.56 72.06 12.65 31.05 70.59 12.55 31.81 71.32 2 0 1000.00 -999 ? >LYS~A 301 12.12 36.99 73.51 18.12 36.03 73.60 15.12 36.51 73.55 2 0 1000.00 -999 ? >TYR~A 302 11.11 39.13 68.79 13.26 39.22 67.00 12.19 39.18 67.89 3 0 1000.00 -999 ? >GLU~A 303 4.90 38.28 74.02 3.71 36.55 74.05 4.31 37.42 74.03 2 0 1000.00 -999 ? >SER~A 304 8.75 40.44 76.17 11.00 39.49 76.24 9.88 39.97 76.21 2 0 1000.00 -999 ? >TYR~A 305 12.60 42.17 73.32 14.85 40.55 73.75 13.72 41.36 73.54 3 0 1000.00 -999 ? >ILE~A 306 6.10 43.59 72.33 5.49 43.36 71.05 5.80 43.48 71.69 3 0 1000.00 -999 ? >ASN~A 307 4.64 42.80 77.15 3.57 41.79 75.63 4.10 42.30 76.39 2 0 1000.00 -999 ? >LYS~A 308 8.02 45.31 78.94 7.84 40.33 81.35 7.93 42.82 80.14 2 0 1000.00 -999 ? >GLN.A 309 8.60 48.12 75.46 7.55 48.77 73.74 8.07 48.44 74.60 2 0 1000.00 -999 ? >ASP.A 310 7.05 51.54 81.13 5.64 52.09 79.64 6.35 51.81 80.38 2 0 1000.00 -999 ? >ASN.A 311 11.03 52.90 83.82 12.64 53.45 85.10 11.84 53.18 84.46 2 0 1000.00 -999 ? >ILE.A 312 12.83 47.69 81.32 12.39 47.33 80.05 12.61 47.51 80.68 3 0 1000.00 -999 ? >VAL.A 313 16.72 49.97 82.81 17.14 50.01 80.66 16.93 49.99 81.73 3 0 1000.00 -999 ? >ASN.A 314 19.62 51.93 86.19 18.67 50.90 87.80 19.14 51.42 86.99 2 0 1000.00 -999 ? >LYS.A 315 19.90 55.65 83.71 18.63 60.41 81.97 19.26 58.03 82.84 2 0 1000.00 -999 ? >ASP.A 316 24.27 54.79 85.56 24.93 56.75 85.95 24.60 55.77 85.76 2 0 1000.00 -999 ? >ASP.A 317 22.64 50.17 83.29 22.73 50.36 85.40 22.69 50.27 84.35 2 0 1000.00 -999 ? >VAL^A 318 22.35 52.14 79.06 20.90 50.74 78.23 21.62 51.44 78.65 3 0 1000.00 -999 ? >PHE^A 319 25.32 55.77 78.29 26.15 56.31 80.88 25.74 56.04 79.58 3 0 1000.00 -999 ? >ILE^A 320 20.05 55.45 73.40 18.82 54.88 72.92 19.43 55.17 73.16 3 0 1000.00 -999 ? >VAL^A 321 23.61 57.29 70.85 25.80 57.36 70.87 24.70 57.33 70.86 3 0 1000.00 -999 ? >GLY^A 322 21.57 58.66 68.00 21.82 59.30 68.46 21.70 58.98 68.23 1 0 1000.00 -999 ? >ASP.A 323 21.22 61.93 64.79 20.51 60.61 63.31 20.86 61.27 64.05 2 0 1000.00 -999 ? >SER~A 324 16.78 61.27 65.60 15.99 58.99 65.68 16.39 60.13 65.64 2 0 1000.00 -999 ? >LEU~A 325 13.14 63.46 67.70 11.93 64.41 69.21 12.53 63.94 68.45 3 0 1000.00 -999 ? >ALA~A 326 12.43 59.00 67.68 12.12 58.27 66.38 12.27 58.63 67.03 2 0 1000.00 -999 ? >ASP~A 327 16.89 57.43 68.85 17.01 56.10 67.22 16.95 56.77 68.03 2 0 1000.00 -999 ? >LEU~A 328 15.27 61.62 71.92 14.80 63.31 73.16 15.03 62.46 72.54 3 0 1000.00 -999 ? >LEU~A 329 10.54 59.34 72.25 9.79 61.35 71.84 10.16 60.35 72.04 3 0 1000.00 -999 ? >SER~A 330 12.77 55.42 73.01 12.55 54.52 70.74 12.66 54.97 71.87 2 0 1000.00 -999 ? >ALA~A 331 15.47 56.15 75.60 16.73 56.99 75.35 16.10 56.57 75.48 2 0 1000.00 -999 ? >GLN~A 332 13.61 60.64 77.00 12.90 62.65 76.99 13.25 61.65 76.99 2 0 1000.00 -999 ? >LYS~A 333 10.77 55.38 77.47 6.87 52.87 75.16 8.82 54.12 76.32 2 0 1000.00 -999 ? >ILE~A 334 13.88 51.65 77.78 14.67 51.46 76.59 14.27 51.55 77.18 3 0 1000.00 -999 ? >GLY~A 335 14.78 54.73 81.14 15.14 54.52 80.47 14.96 54.62 80.81 1 0 1000.00 -999 ? >ALA.A 336 18.14 54.94 79.38 18.47 54.09 78.16 18.30 54.51 78.77 2 0 1000.00 -999 ? >THR^A 337 20.47 57.92 79.15 22.16 58.72 80.24 21.32 58.32 79.69 2 0 1000.00 -999 ? >PHE^A 338 18.81 60.53 73.84 18.94 61.24 71.12 18.88 60.89 72.48 3 0 1000.00 -999 ? >ILE^A 339 24.46 60.93 74.34 25.73 60.42 74.05 25.09 60.68 74.19 3 0 1000.00 -999 ? >GLY^A 340 22.16 63.11 70.69 22.88 63.21 71.00 22.52 63.16 70.84 1 0 1000.00 -999 ? >THR^A 341 24.52 63.67 67.76 25.85 62.09 67.19 25.18 62.88 67.48 2 0 1000.00 -999 ? >LEU.A 342 24.97 67.97 65.77 23.89 69.20 67.17 24.43 68.58 66.47 3 0 1000.00 -999 ? >THR.A 343 25.35 64.48 62.35 27.03 63.36 63.14 26.19 63.92 62.75 2 0 1000.00 -999 ? >GLY.A 344 21.80 64.00 61.02 22.31 64.62 60.76 22.06 64.31 60.89 1 0 1000.00 -999 ? >LEU.A 345 19.33 64.58 56.85 20.34 62.82 56.11 19.83 63.70 56.48 3 0 1000.00 -999 ? >LYS~A 346 19.41 68.43 59.38 14.03 69.65 58.08 16.72 69.04 58.73 2 0 1000.00 -999 ? >GLY~A 347 22.97 68.91 60.64 22.30 68.83 61.11 22.63 68.87 60.87 1 0 1000.00 -999 ? >LYS~A 348 23.29 70.98 63.81 29.48 72.35 64.22 26.38 71.67 64.01 2 0 1000.00 -999 ? >ASP~A 349 19.34 73.03 61.85 20.62 74.17 60.61 19.98 73.60 61.23 2 0 1000.00 -999 ? >ALA~A 350 18.48 69.72 65.06 18.69 68.29 64.59 18.59 69.00 64.82 2 0 1000.00 -999 ? >ALA~A 351 19.94 70.94 68.36 21.16 71.85 68.49 20.55 71.39 68.42 2 0 1000.00 -999 ? >GLY~A 352 16.89 73.01 69.28 16.93 72.21 69.15 16.91 72.61 69.22 1 0 1000.00 -999 ? >GLU~A 353 15.14 68.42 67.35 14.55 67.06 65.84 14.85 67.74 66.59 2 0 1000.00 -999 ? >LEU~A 354 18.29 67.54 70.72 18.82 65.90 69.42 18.55 66.72 70.07 3 0 1000.00 -999 ? >GLU~A 355 19.38 71.51 73.51 20.42 73.33 73.48 19.90 72.42 73.50 2 0 1000.00 -999 ? >ALA~A 356 13.42 71.16 73.81 12.66 71.79 72.64 13.04 71.47 73.23 2 0 1000.00 -999 ? >HIS~A 357 11.77 66.52 72.28 9.97 66.56 71.22 10.87 66.54 71.75 3 0 1000.00 -999 ? >HIS.A 358 13.16 67.71 78.70 11.40 68.84 78.84 12.28 68.28 78.77 3 0 1000.00 -999 ? >ALA.A 359 18.11 65.31 75.75 18.67 65.57 74.36 18.39 65.44 75.06 2 0 1000.00 -999 ? >ASP.A 360 20.86 62.74 78.80 19.19 61.75 79.60 20.03 62.25 79.20 2 0 1000.00 -999 ? >TYR^A 361 24.89 64.00 77.96 25.07 63.20 80.62 24.98 63.60 79.29 3 0 1000.00 -999 ? >VAL^A 362 24.10 66.72 72.85 22.59 68.04 71.97 23.34 67.38 72.41 3 0 1000.00 -999 ? >ILE^A 363 28.02 64.72 71.24 28.68 64.82 71.66 28.35 64.77 71.45 3 0 1000.00 -999 ? >ASN.A 364 29.79 68.39 67.35 29.56 70.35 68.14 29.67 69.37 67.74 2 0 1000.00 -999 ? >HIS~A 365 31.90 64.93 65.57 33.77 65.63 66.22 32.84 65.28 65.89 3 0 1000.00 -999 ? >LEU~A 366 30.66 59.32 66.43 30.37 57.26 67.00 30.52 58.29 66.72 3 0 1000.00 -999 ? >GLY~A 367 34.04 61.72 68.29 33.35 61.93 68.66 33.70 61.82 68.48 1 0 1000.00 -999 ? >GLU~A 368 33.03 66.49 70.16 31.94 68.26 69.73 32.48 67.37 69.94 2 0 1000.00 -999 ? >LEU~A 369 31.12 59.72 72.10 29.71 58.24 72.79 30.41 58.98 72.45 3 0 1000.00 -999 ? >ARG~A 370 37.93 59.65 74.17 38.43 57.82 71.78 38.18 58.73 72.97 2 0 1000.00 -999 ? >GLY~A 371 33.55 64.13 76.65 33.10 63.44 76.65 33.33 63.79 76.65 1 0 1000.00 -999 ? >VAL~A 372 30.19 62.82 77.78 28.30 62.73 76.75 29.25 62.77 77.26 3 0 1000.00 -999 ? >LEU~A 373 32.00 58.39 78.55 30.64 57.12 77.43 31.32 57.75 77.99 3 0 1000.00 -999 ? >ASP~A 374 35.67 61.71 80.56 36.50 59.96 79.68 36.09 60.84 80.12 2 0 1000.00 -999 ? >ASN.A 375 32.20 65.50 81.44 34.21 66.18 81.48 33.21 65.84 81.46 2 0 1000.00 -999 ? >LEU.A 376 28.55 61.08 83.59 28.16 59.37 82.34 28.35 60.22 82.96 3 0 1000.00 -999 ? >LEU.A 377 28.39 64.36 87.45 27.16 63.05 88.70 27.78 63.70 88.08 3 0 1000.00 -999 ? >GLU.A 378 32.69 67.05 85.51 32.88 64.94 85.32 32.79 66.00 85.42 2 0 1000.00 -999 ? >HIS.A 379 30.44 68.33 80.26 32.39 68.98 79.86 31.42 68.66 80.06 3 0 1000.00 -999 ? >HIS.A 380 23.44 65.79 84.71 21.45 65.19 84.97 22.44 65.49 84.84 3 0 1000.00 -999 ?