REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-JUN-05 2A2L COMPND UNKNOWN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; SOURCE 3 ORGANISM_TAXID: 573; SOURCE 4 ATCC: 25955; SOURCE 5 GENE: ORFY; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET AUTHOR U.RAMAGOPAL,Y.PATSKOVSKY,S.C.ALMO,S.K.BURLEY,NEW YORK SGX RESEARCH AUTHOR 2 CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) >SER.A 2 36.73 -5.17 76.15 36.26 -4.69 78.49 36.49 -4.93 77.32 2 0 1000.00 -999 ? >LEU.A 3 33.56 -3.58 72.82 32.60 -4.04 70.95 33.08 -3.81 71.88 3 0 1000.00 -999 ? >MET.A 4 35.79 0.31 73.11 38.28 2.31 70.48 37.03 1.31 71.80 2 0 1000.00 -999 ? >ASN.A 5 32.28 3.31 74.49 30.15 3.32 74.49 31.21 3.32 74.49 2 0 1000.00 -999 ? >LYS.A 6 33.70 4.87 70.27 32.93 3.04 64.18 33.31 3.96 67.22 2 0 1000.00 -999 ? >SER^A 7 30.69 7.08 70.82 28.68 6.99 69.45 29.69 7.03 70.13 2 0 1000.00 -999 ? >GLN^A 8 29.10 7.24 76.19 30.36 7.93 77.78 29.73 7.59 76.99 2 0 1000.00 -999 ? >GLN^A 9 23.31 6.93 72.63 23.07 4.81 72.61 23.19 5.87 72.62 2 0 1000.00 -999 ? >VAL^A 10 23.65 11.84 75.73 25.62 12.81 75.70 24.64 12.32 75.71 3 0 1000.00 -999 ? >GLN^A 11 18.12 13.67 76.84 17.40 11.83 76.03 17.76 12.75 76.43 2 0 1000.00 -999 ? >THR^A 12 20.39 17.62 75.30 20.83 18.70 73.42 20.61 18.16 74.36 2 0 1000.00 -999 ? >ILE^A 13 17.59 21.10 77.50 17.24 22.23 78.26 17.42 21.67 77.88 3 0 1000.00 -999 ? >THR~A 14 15.59 21.59 73.42 14.07 20.04 73.27 14.83 20.81 73.34 2 0 1000.00 -999 ? >LEU~A 15 14.38 25.45 70.83 14.01 27.48 70.24 14.20 26.46 70.54 3 0 1000.00 -999 ? >ALA~A 16 10.80 23.72 72.93 10.31 22.31 72.61 10.56 23.01 72.77 2 0 1000.00 -999 ? >ALA~A 17 11.59 23.25 76.66 12.47 22.12 77.16 12.03 22.68 76.91 2 0 1000.00 -999 ? >ALA~A 18 13.72 26.43 76.76 14.83 26.76 75.77 14.27 26.60 76.26 2 0 1000.00 -999 ? >GLN~A 19 10.77 28.81 72.89 10.16 28.04 71.02 10.46 28.42 71.95 2 0 1000.00 -999 ? >GLN~A 20 7.32 25.08 76.85 5.67 26.24 76.06 6.49 25.66 76.46 2 0 1000.00 -999 ? >MET~A 21 10.73 27.86 80.95 13.80 25.13 80.93 12.26 26.50 80.94 2 0 1000.00 -999 ? >ALA~A 22 11.10 31.36 79.54 11.39 31.74 78.08 11.25 31.55 78.81 2 0 1000.00 -999 ? >ALA~A 23 7.39 31.93 80.10 6.29 31.28 79.28 6.84 31.61 79.69 2 0 1000.00 -999 ? >ALA~A 24 7.41 30.51 83.61 8.02 29.17 83.99 7.72 29.84 83.80 2 0 1000.00 -999 ? >VAL~A 25 10.30 32.79 84.59 12.50 32.70 84.33 11.40 32.74 84.46 3 0 1000.00 -999 ? >GLU~A 26 8.37 37.26 80.79 7.56 37.41 78.82 7.97 37.33 79.81 2 0 1000.00 -999 ? >LYS~A 27 5.47 35.19 84.82 0.81 31.53 86.00 3.14 33.36 85.41 2 0 1000.00 -999 ? >LYS~A 28 7.15 34.63 88.16 6.25 33.39 93.09 6.70 34.01 90.63 2 0 1000.00 -999 ? >ALA~A 29 9.51 37.57 87.75 10.46 37.78 86.62 9.99 37.67 87.19 2 0 1000.00 -999 ? >THR~A 30 6.49 39.76 87.04 5.04 40.21 85.51 5.77 39.98 86.27 2 0 1000.00 -999 ? >GLU~A 31 4.48 36.50 90.20 3.40 34.80 90.86 3.94 35.65 90.53 2 0 1000.00 -999 ? >ILE~A 32 8.82 38.40 92.89 9.57 37.39 92.86 9.19 37.90 92.88 3 0 1000.00 -999 ? >ASN.A 33 7.67 43.76 91.70 5.62 44.29 91.59 6.64 44.02 91.65 2 0 1000.00 -999 ? >VAL.A 34 11.38 42.29 88.86 13.06 40.98 89.60 12.22 41.64 89.23 3 0 1000.00 -999 ? >ALA.A 35 12.73 42.43 85.28 12.70 43.71 84.51 12.72 43.07 84.90 2 0 1000.00 -999 ? >VAL.A 36 15.31 39.79 84.37 14.72 38.24 85.79 15.01 39.02 85.08 3 0 1000.00 -999 ? >VAL^A 37 17.34 38.25 81.57 18.88 39.10 80.29 18.11 38.68 80.93 3 0 1000.00 -999 ? >PHE^A 38 15.28 32.38 81.25 15.07 29.55 81.61 15.18 30.97 81.43 3 0 1000.00 -999 ? >SER^A 39 19.17 32.18 79.27 20.64 34.05 79.10 19.90 33.11 79.19 2 0 1000.00 -999 ? >VAL^A 40 19.29 28.48 78.44 17.47 27.18 78.55 18.38 27.83 78.50 3 0 1000.00 -999 ? >VAL^A 41 22.21 26.60 76.95 23.95 27.26 78.14 23.08 26.93 77.55 3 0 1000.00 -999 ? >ASP^A 42 21.86 22.76 73.96 23.61 22.95 72.77 22.74 22.86 73.36 2 0 1000.00 -999 ? >ARG.A 43 25.68 17.12 75.73 26.68 15.65 78.21 26.18 16.39 76.97 2 0 1000.00 -999 ? >GLY.A 44 27.38 21.31 75.01 26.85 21.80 75.39 27.11 21.55 75.20 1 0 1000.00 -999 ? >GLY.A 45 27.01 24.71 76.64 26.69 24.56 75.90 26.85 24.63 76.27 1 0 1000.00 -999 ? >ASN.A 46 25.75 25.46 72.14 27.73 24.76 71.81 26.74 25.11 71.98 2 0 1000.00 -999 ? >THR^A 47 23.21 29.10 73.46 23.73 31.18 73.36 23.47 30.14 73.41 2 0 1000.00 -999 ? >LEU^A 48 18.88 26.89 73.57 18.85 24.76 73.22 18.87 25.82 73.39 3 0 1000.00 -999 ? >LEU^A 49 16.48 30.61 74.81 14.63 31.62 75.24 15.55 31.11 75.02 3 0 1000.00 -999 ? >ILE^A 50 19.77 35.28 75.26 21.05 35.85 75.49 20.41 35.56 75.37 3 0 1000.00 -999 ? >GLN^A 51 13.01 36.55 76.84 11.29 35.33 76.91 12.15 35.94 76.87 2 0 1000.00 -999 ? >ARG^A 52 18.16 43.08 78.40 16.98 45.80 77.49 17.57 44.44 77.94 2 0 1000.00 -999 ? >MET.A 53 12.73 41.85 79.82 11.18 39.78 83.05 11.95 40.82 81.43 2 0 1000.00 -999 ? >ASP.A 54 11.22 45.97 77.95 10.51 44.72 76.40 10.86 45.35 77.17 2 0 1000.00 -999 ? >GLU.A 55 10.75 47.74 82.82 11.10 49.66 82.04 10.93 48.70 82.43 2 0 1000.00 -999 ? >ALA.A 56 16.10 44.58 82.83 16.15 43.11 82.47 16.12 43.85 82.65 2 0 1000.00 -999 ? >PHE.A 57 20.24 45.98 85.61 19.36 46.99 88.09 19.80 46.48 86.85 3 0 1000.00 -999 ? >VAL.A 58 21.50 45.44 79.70 21.46 47.40 78.55 21.48 46.42 79.12 3 0 1000.00 -999 ? >SER~A 59 24.53 44.40 81.76 24.03 46.04 83.46 24.28 45.22 82.61 2 0 1000.00 -999 ? >SER~A 60 22.59 41.26 82.61 21.48 42.08 84.64 22.03 41.67 83.63 2 0 1000.00 -999 ? >CYH~A 61 22.63 39.49 79.18 21.52 41.60 77.66 22.08 40.55 78.42 2 0 1000.00 -999 ? >ASP~A 62 27.51 39.31 79.35 29.12 38.72 78.07 28.32 39.02 78.71 2 0 1000.00 -999 ? >ILE~A 63 25.39 38.50 84.11 25.46 39.27 85.24 25.42 38.89 84.67 3 0 1000.00 -999 ? >SER~A 64 22.72 35.52 82.42 20.60 35.03 81.37 21.66 35.27 81.89 2 0 1000.00 -999 ? >LEU~A 65 24.74 34.12 78.18 25.06 32.99 76.31 24.90 33.55 77.24 3 0 1000.00 -999 ? >ASN~A 66 28.60 33.77 81.59 29.26 34.62 79.79 28.93 34.19 80.69 2 0 1000.00 -999 ? >LYS~A 67 25.60 31.68 84.48 22.95 35.95 88.33 24.27 33.81 86.40 2 0 1000.00 -999 ? >ALA~A 68 23.97 29.08 82.24 23.01 29.31 81.06 23.49 29.19 81.65 2 0 1000.00 -999 ? >TRP~A 69 29.48 27.58 78.03 32.62 28.15 80.33 31.05 27.86 79.18 3 0 1000.00 -999 ? >SER~A 70 28.89 28.00 84.06 30.00 30.11 84.55 29.44 29.06 84.30 2 0 1000.00 -999 ? >ALA~A 71 26.08 25.89 85.49 24.65 26.34 85.61 25.36 26.12 85.55 2 0 1000.00 -999 ? >CYH~A 72 26.35 23.43 82.57 26.11 22.33 79.98 26.23 22.88 81.27 2 0 1000.00 -999 ? >SER~A 73 30.12 23.43 82.30 32.36 24.36 81.82 31.24 23.89 82.06 2 0 1000.00 -999 ? >LEU~A 74 31.27 24.05 87.01 32.64 25.71 87.21 31.95 24.88 87.11 3 0 1000.00 -999 ? >LYS.A 75 27.76 20.74 86.55 31.00 16.35 83.27 29.38 18.55 84.91 2 0 1000.00 -999 ? >GLN.A 76 28.62 23.45 90.38 30.13 23.25 91.86 29.37 23.35 91.12 2 0 1000.00 -999 ? >GLY~A 77 24.72 25.89 90.58 25.53 25.66 90.63 25.13 25.77 90.60 1 0 1000.00 -999 ? >THR~A 78 26.80 29.05 90.32 26.11 30.34 88.68 26.45 29.70 89.50 2 0 1000.00 -999 ? >HIS~A 79 23.72 28.20 94.61 22.70 26.38 94.44 23.21 27.29 94.52 3 0 1000.00 -999 ? >GLU~A 80 26.03 24.55 94.70 25.70 22.64 93.89 25.86 23.60 94.30 2 0 1000.00 -999 ? >ILE~A 81 31.61 27.82 92.38 31.24 27.49 90.90 31.43 27.66 91.64 3 0 1000.00 -999 ? >THR~A 82 31.02 31.08 95.75 29.27 32.32 96.01 30.15 31.70 95.88 2 0 1000.00 -999 ? >SER~A 83 32.74 29.68 98.89 31.42 27.66 99.15 32.08 28.67 99.02 2 0 1000.00 -999 ? >ALA~A 84 35.56 28.04 96.91 35.37 26.86 95.92 35.47 27.45 96.42 2 0 1000.00 -999 ? >VAL~A 85 36.66 31.22 95.10 35.15 31.30 93.51 35.91 31.26 94.30 3 0 1000.00 -999 ? >GLN.A 86 34.91 33.41 99.44 33.94 34.87 98.23 34.43 34.14 98.84 2 0 1000.00 -999 ? >PRO.A 87 39.55 37.23 98.60 39.90 34.98 98.51 39.73 36.11 98.55 3 0 1000.00 -999 ? >GLY.A 88 42.36 32.35 100.76 41.89 32.15 100.17 42.13 32.25 100.46 1 0 1000.00 -999 ? >GLN.A 89 37.89 30.19 100.36 38.53 29.55 102.28 38.21 29.87 101.32 2 0 1000.00 -999 ? >SER.A 90 41.30 26.54 97.29 39.35 25.08 97.20 40.32 25.81 97.24 2 0 1000.00 -999 ? >LEU.A 91 38.67 27.12 93.34 38.34 25.08 92.54 38.50 26.10 92.94 3 0 1000.00 -999 ? >TYR.A 92 41.84 33.62 95.38 42.25 36.41 95.18 42.05 35.01 95.28 3 0 1000.00 -999 ? >GLY~A 93 41.29 32.81 90.86 40.69 32.28 90.97 40.99 32.54 90.92 1 0 1000.00 -999 ? >LEU~A 94 37.89 29.52 89.86 37.06 27.76 88.95 37.47 28.64 89.40 3 0 1000.00 -999 ? >GLN~A 95 37.54 35.15 90.16 37.79 34.17 92.03 37.67 34.66 91.09 2 0 1000.00 -999 ? >LEU~A 96 41.08 35.17 86.64 41.32 37.04 87.72 41.20 36.11 87.18 3 0 1000.00 -999 ? >THR~A 97 39.80 31.67 83.81 39.84 29.94 85.06 39.82 30.81 84.44 2 0 1000.00 -999 ? >ASN~A 98 36.64 30.03 81.18 37.22 28.04 81.25 36.93 29.04 81.21 2 0 1000.00 -999 ? >GLN~A 99 38.19 34.38 76.95 39.45 32.67 77.15 38.82 33.52 77.05 2 0 1000.00 -999 ? >GLN~A 100 37.56 37.21 83.46 39.01 37.33 81.83 38.29 37.27 82.65 2 0 1000.00 -999 ? >ARG~A 101 32.45 31.99 78.10 29.94 30.85 76.78 31.19 31.42 77.44 2 0 1000.00 -999 ? >ILE.A 102 33.74 30.60 85.77 34.25 29.33 86.18 33.99 29.97 85.97 3 0 1000.00 -999 ? >ILE.A 103 28.61 33.58 86.75 28.77 35.02 86.42 28.69 34.30 86.59 3 0 1000.00 -999 ? >ILE.A 104 31.87 33.22 91.41 33.09 33.83 91.33 32.48 33.52 91.37 3 0 1000.00 -999 ? >PHE.A 105 27.16 36.48 91.51 27.61 38.12 89.29 27.39 37.30 90.40 3 0 1000.00 -999 ? >GLY.A 106 23.79 32.37 92.35 24.00 33.04 91.93 23.90 32.71 92.14 1 0 1000.00 -999 ? >GLY.A 107 21.45 32.52 89.38 21.91 31.84 89.33 21.68 32.18 89.36 1 0 1000.00 -999 ? >GLY^A 108 22.65 29.67 87.18 22.42 29.43 88.00 22.53 29.55 87.59 1 0 1000.00 -999 ? >LEU^A 109 20.01 25.93 88.12 19.58 26.18 90.26 19.79 26.06 89.19 3 0 1000.00 -999 ? >PRO^A 110 23.21 22.15 87.56 22.19 23.43 86.06 22.70 22.79 86.81 3 0 1000.00 -999 ? >VAL^A 111 19.15 20.99 84.19 17.69 21.73 82.71 18.42 21.36 83.45 3 0 1000.00 -999 ? >ILE^A 112 19.62 17.09 86.83 20.27 17.05 87.82 19.94 17.07 87.33 3 0 1000.00 -999 ? >PHE.A 113 15.43 14.62 81.68 12.90 13.67 80.91 14.17 14.15 81.29 3 0 1000.00 -999 ? >ASN.A 114 17.69 10.37 82.61 15.74 10.58 81.74 16.72 10.48 82.18 2 0 1000.00 -999 ? >GLU.A 115 20.26 9.81 88.12 19.81 7.75 88.36 20.03 8.78 88.24 2 0 1000.00 -999 ? >GLN.A 116 23.17 12.84 81.22 22.24 12.27 79.41 22.70 12.56 80.32 2 0 1000.00 -999 ? >VAL^A 117 23.15 17.27 82.84 24.46 18.71 83.87 23.81 17.99 83.36 3 0 1000.00 -999 ? >ILE^A 118 19.88 17.55 79.43 18.61 17.13 79.80 19.24 17.34 79.62 3 0 1000.00 -999 ? >GLY^A 119 21.98 21.83 79.62 22.02 21.49 80.40 22.00 21.66 80.01 1 0 1000.00 -999 ? >ALA^A 120 21.62 24.72 82.05 22.96 25.06 82.60 22.29 24.89 82.32 2 0 1000.00 -999 ? >VAL^A 121 19.70 27.91 82.80 17.81 27.13 83.75 18.76 27.52 83.28 3 0 1000.00 -999 ? >GLY^A 122 20.81 31.37 83.94 20.00 31.38 83.66 20.40 31.37 83.80 1 0 1000.00 -999 ? >VAL^A 123 18.86 34.35 85.37 16.80 34.18 86.18 17.83 34.26 85.77 3 0 1000.00 -999 ? >SER^A 124 20.24 37.83 85.99 22.29 39.10 85.76 21.26 38.47 85.88 2 0 1000.00 -999 ? >GLY.A 125 19.00 41.29 86.88 18.85 40.76 87.50 18.93 41.03 87.19 1 0 1000.00 -999 ? >GLY.A 126 17.42 40.83 90.28 18.26 40.73 90.12 17.84 40.78 90.20 1 0 1000.00 -999 ? >THR~A 127 19.07 40.23 93.59 17.61 40.25 95.19 18.34 40.24 94.39 2 0 1000.00 -999 ? >VAL~A 128 21.08 37.01 93.68 23.19 36.59 93.99 22.14 36.80 93.84 3 0 1000.00 -999 ? >GLU~A 129 18.96 36.31 98.13 19.22 38.43 98.07 19.09 37.37 98.10 2 0 1000.00 -999 ? >GLN~A 130 14.50 38.36 93.85 14.24 40.43 93.56 14.37 39.40 93.71 2 0 1000.00 -999 ? >ASP~A 131 19.35 35.50 89.98 19.62 37.57 89.63 19.49 36.54 89.81 2 0 1000.00 -999 ? >GLN~A 132 19.75 30.19 93.19 20.45 29.70 95.14 20.10 29.95 94.16 2 0 1000.00 -999 ? >LEU~A 133 13.84 32.59 93.68 11.71 33.15 94.12 12.77 32.87 93.90 3 0 1000.00 -999 ? >LEU~A 134 13.79 33.56 88.54 12.52 35.26 88.87 13.15 34.41 88.71 3 0 1000.00 -999 ? >ALA~A 135 16.23 29.71 88.04 17.71 29.82 88.36 16.97 29.77 88.20 2 0 1000.00 -999 ? >GLN~A 136 14.34 25.47 92.30 15.73 23.92 91.72 15.04 24.69 92.01 2 0 1000.00 -999 ? >CYH~A 137 11.32 28.15 88.96 9.69 30.29 87.96 10.51 29.22 88.46 2 0 1000.00 -999 ? >ALA~A 138 12.48 27.34 85.41 13.69 27.95 84.71 13.08 27.64 85.06 2 0 1000.00 -999 ? >LEU~A 139 14.73 23.58 87.55 16.84 23.83 86.99 15.79 23.70 87.27 3 0 1000.00 -999 ? >ASP~A 140 9.76 24.10 89.39 10.44 23.47 91.27 10.10 23.78 90.33 2 0 1000.00 -999 ? >CYH~A 141 8.56 24.12 84.96 8.15 25.51 82.44 8.36 24.82 83.70 2 0 1000.00 -999 ? >PHE~A 142 13.04 20.57 82.40 14.15 18.33 81.17 13.60 19.45 81.79 3 0 1000.00 -999 ? >SER~A 143 10.27 18.70 85.13 10.38 19.55 87.40 10.33 19.12 86.27 2 0 1000.00 -999 ? >ALA~A 144 6.49 19.17 84.82 5.78 20.44 85.32 6.13 19.81 85.07 2 0 1000.00 -999 ? >LEU~A 145 7.54 19.87 80.13 7.71 21.82 79.18 7.63 20.85 79.66 3 0 1000.00 -999 ? >GLU.A 146 7.03 15.18 77.93 8.34 14.83 76.31 7.68 15.00 77.12 2 0 1000.00 -999 ? >SER.B 2 85.33 37.74 77.08 84.77 37.77 79.47 85.05 37.75 78.28 2 0 1000.00 -999 ? >LEU.B 3 84.65 34.22 73.72 84.60 33.48 71.60 84.62 33.85 72.66 3 0 1000.00 -999 ? >MET.B 4 80.42 36.15 73.68 78.55 39.07 71.61 79.49 37.61 72.65 2 0 1000.00 -999 ? >ASN.B 5 77.25 32.69 73.97 78.23 30.81 73.79 77.74 31.75 73.88 2 0 1000.00 -999 ? >LYS.B 6 75.45 34.21 69.92 78.04 33.05 64.13 76.74 33.63 67.03 2 0 1000.00 -999 ? >SER^B 7 73.55 31.05 70.89 74.29 29.13 69.63 73.92 30.09 70.26 2 0 1000.00 -999 ? >GLN^B 8 72.43 30.44 75.91 71.13 31.87 76.88 71.78 31.16 76.40 2 0 1000.00 -999 ? >GLN^B 9 72.50 22.71 73.22 73.86 21.08 73.06 73.18 21.89 73.14 2 0 1000.00 -999 ? >VAL^B 10 68.82 24.25 75.81 67.61 26.10 75.53 68.21 25.18 75.67 3 0 1000.00 -999 ? >GLN^B 11 67.22 18.81 77.35 69.02 18.03 76.58 68.12 18.42 76.97 2 0 1000.00 -999 ? >THR^B 12 63.07 20.49 75.60 61.92 20.89 73.76 62.49 20.69 74.68 2 0 1000.00 -999 ? >ILE^B 13 59.50 17.88 77.57 58.36 17.72 78.29 58.93 17.80 77.93 3 0 1000.00 -999 ? >THR~B 14 59.36 15.61 73.46 60.94 14.18 73.44 60.15 14.89 73.45 2 0 1000.00 -999 ? >LEU~B 15 55.20 15.01 70.88 53.05 14.65 70.33 54.13 14.83 70.60 3 0 1000.00 -999 ? >ALA~B 16 56.43 11.09 72.96 57.42 10.16 72.22 56.92 10.63 72.59 2 0 1000.00 -999 ? >ALA~B 17 57.44 11.97 76.54 58.52 12.92 77.01 57.98 12.45 76.77 2 0 1000.00 -999 ? >ALA~B 18 54.18 13.91 76.84 53.83 15.15 76.00 54.01 14.53 76.42 2 0 1000.00 -999 ? >GLN~B 19 52.35 11.45 73.04 52.55 10.81 71.01 52.45 11.13 72.03 2 0 1000.00 -999 ? >GLN~B 20 55.91 7.65 77.18 55.52 5.57 76.98 55.72 6.61 77.08 2 0 1000.00 -999 ? >MET~B 21 52.86 11.23 80.79 55.56 14.44 80.91 54.21 12.84 80.85 2 0 1000.00 -999 ? >ALA~B 22 49.25 11.41 79.62 48.83 11.89 78.24 49.04 11.65 78.93 2 0 1000.00 -999 ? >ALA~B 23 48.91 7.61 79.87 49.80 6.56 79.23 49.36 7.09 79.55 2 0 1000.00 -999 ? >ALA~B 24 50.03 7.64 83.49 51.47 7.94 83.93 50.75 7.79 83.71 2 0 1000.00 -999 ? >VAL~B 25 47.66 10.52 84.45 47.87 12.71 84.46 47.77 11.61 84.45 3 0 1000.00 -999 ? >GLU~B 26 43.10 8.37 80.65 43.06 8.26 78.49 43.08 8.32 79.57 2 0 1000.00 -999 ? >LYS~B 27 45.35 5.83 84.62 48.35 1.05 85.39 46.85 3.44 85.01 2 0 1000.00 -999 ? >LYS~B 28 45.80 7.36 88.05 49.07 6.99 92.86 47.43 7.17 90.45 2 0 1000.00 -999 ? >ALA~B 29 42.80 9.65 87.62 42.56 10.61 86.53 42.68 10.13 87.08 2 0 1000.00 -999 ? >THR~B 30 40.69 6.52 87.03 40.26 5.13 85.40 40.47 5.83 86.22 2 0 1000.00 -999 ? >GLU~B 31 44.63 4.97 90.80 46.47 3.80 90.80 45.55 4.38 90.80 2 0 1000.00 -999 ? >ILE~B 32 42.26 8.92 92.85 43.27 9.82 92.77 42.76 9.37 92.81 3 0 1000.00 -999 ? >ASN~B 33 36.98 7.81 91.54 35.97 6.13 90.78 36.48 6.97 91.16 2 0 1000.00 -999 ? >VAL.B 34 38.09 11.84 88.92 39.42 13.50 89.46 38.75 12.67 89.19 3 0 1000.00 -999 ? >ALA.B 35 38.12 13.02 85.28 36.91 12.92 84.39 37.51 12.97 84.83 2 0 1000.00 -999 ? >VAL.B 36 40.63 15.72 84.39 42.15 15.20 85.90 41.39 15.46 85.14 3 0 1000.00 -999 ? >VAL^B 37 42.24 17.54 81.50 41.24 19.03 80.23 41.74 18.28 80.86 3 0 1000.00 -999 ? >PHE^B 38 47.82 15.52 81.40 50.59 15.19 81.59 49.21 15.35 81.49 3 0 1000.00 -999 ? >SER^B 39 48.44 19.52 79.31 46.67 21.14 78.84 47.55 20.33 79.07 2 0 1000.00 -999 ? >VAL^B 40 52.15 19.58 78.44 53.12 17.61 78.51 52.64 18.60 78.48 3 0 1000.00 -999 ? >VAL^B 41 54.16 22.55 77.12 53.43 24.26 78.33 53.80 23.40 77.73 3 0 1000.00 -999 ? >ASP.B 42 57.99 22.70 74.18 57.55 24.61 73.31 57.77 23.66 73.74 2 0 1000.00 -999 ? >ARG.B 43 63.92 26.21 76.43 65.39 27.28 78.92 64.65 26.75 77.67 2 0 1000.00 -999 ? >GLY.B 44 58.99 27.93 75.28 58.54 27.37 75.56 58.77 27.65 75.42 1 0 1000.00 -999 ? >GLY.B 45 55.54 27.30 76.79 55.72 27.14 76.03 55.63 27.22 76.41 1 0 1000.00 -999 ? >ASN.B 46 54.78 26.39 72.06 55.69 28.31 71.64 55.24 27.35 71.85 2 0 1000.00 -999 ? >THR^B 47 51.60 23.38 73.41 49.44 23.38 73.35 50.52 23.38 73.38 2 0 1000.00 -999 ? >LEU^B 48 53.90 19.16 73.77 55.98 19.64 73.19 54.94 19.40 73.48 3 0 1000.00 -999 ? >LEU^B 49 50.25 16.54 74.60 49.68 14.66 75.67 49.96 15.60 75.14 3 0 1000.00 -999 ? >ILE^B 50 45.40 19.86 75.29 45.09 21.22 75.51 45.24 20.54 75.40 3 0 1000.00 -999 ? >GLN^B 51 43.97 13.23 77.41 45.26 11.85 78.44 44.61 12.54 77.92 2 0 1000.00 -999 ? >ARG^B 52 37.21 18.10 78.37 34.63 17.82 76.80 35.92 17.96 77.58 2 0 1000.00 -999 ? >MET.B 53 38.81 12.74 79.63 40.92 11.09 82.88 39.87 11.91 81.26 2 0 1000.00 -999 ? >ASP.B 54 34.33 11.39 78.25 35.00 10.37 76.51 34.66 10.88 77.38 2 0 1000.00 -999 ? >GLU.B 55 32.33 11.58 82.35 30.50 12.47 81.77 31.42 12.03 82.06 2 0 1000.00 -999 ? >ALA.B 56 36.16 16.40 82.84 37.59 16.43 82.39 36.88 16.42 82.61 2 0 1000.00 -999 ? >PHE.B 57 34.59 20.38 85.48 34.04 19.40 88.03 34.32 19.89 86.75 3 0 1000.00 -999 ? >VAL.B 58 35.15 21.73 79.64 33.28 22.06 78.62 34.21 21.90 79.13 3 0 1000.00 -999 ? >SER~B 59 36.21 24.83 81.56 34.98 24.48 83.60 35.59 24.65 82.58 2 0 1000.00 -999 ? >SER~B 60 39.32 22.85 82.58 38.80 21.68 84.63 39.06 22.26 83.61 2 0 1000.00 -999 ? >CYH~B 61 40.80 22.76 79.06 39.50 21.02 77.29 40.15 21.89 78.18 2 0 1000.00 -999 ? >ASP~B 62 40.98 27.60 78.95 40.62 28.05 76.87 40.80 27.82 77.91 2 0 1000.00 -999 ? >ILE~B 63 42.07 25.77 84.05 41.31 26.30 85.24 41.69 26.03 84.64 3 0 1000.00 -999 ? >SER~B 64 45.07 22.85 82.38 45.59 20.69 81.52 45.33 21.77 81.95 2 0 1000.00 -999 ? >LEU~B 65 46.38 24.84 78.09 47.61 25.40 76.35 47.00 25.12 77.22 3 0 1000.00 -999 ? >ASN~B 66 46.53 28.84 81.50 45.81 29.73 79.69 46.17 29.28 80.59 2 0 1000.00 -999 ? >LYS~B 67 48.84 25.86 84.40 44.49 23.03 88.35 46.67 24.44 86.38 2 0 1000.00 -999 ? >ALA~B 68 51.42 24.15 82.20 51.08 23.24 80.99 51.25 23.69 81.59 2 0 1000.00 -999 ? >TRP~B 69 52.79 29.89 78.33 52.11 33.03 80.61 52.45 31.46 79.47 3 0 1000.00 -999 ? >SER~B 70 52.64 29.38 84.09 50.24 29.62 84.56 51.44 29.50 84.32 2 0 1000.00 -999 ? >ALA~B 71 54.85 26.72 85.63 54.43 25.33 86.04 54.64 26.03 85.84 2 0 1000.00 -999 ? >CYH~B 72 57.02 26.92 82.54 57.80 26.52 79.90 57.41 26.72 81.22 2 0 1000.00 -999 ? >SER~B 73 57.32 30.74 82.39 55.64 31.05 80.71 56.48 30.89 81.55 2 0 1000.00 -999 ? >LEU~B 74 56.37 31.33 87.07 55.32 33.24 87.12 55.84 32.28 87.10 3 0 1000.00 -999 ? >LYS~B 75 59.85 28.07 86.50 64.16 29.61 82.54 62.01 28.84 84.51 2 0 1000.00 -999 ? >GLN.B 76 56.88 29.21 90.47 57.18 31.10 91.37 57.03 30.16 90.92 2 0 1000.00 -999 ? >GLY~B 77 54.90 25.17 90.77 55.04 26.04 90.82 54.97 25.60 90.79 1 0 1000.00 -999 ? >THR~B 78 51.67 27.13 90.41 50.42 26.23 88.92 51.04 26.68 89.67 2 0 1000.00 -999 ? >HIS~B 79 52.24 24.24 94.78 54.07 23.22 94.69 53.15 23.73 94.73 3 0 1000.00 -999 ? >GLU~B 80 56.06 26.44 94.58 58.14 26.23 94.03 57.10 26.33 94.30 2 0 1000.00 -999 ? >ILE~B 81 52.73 32.11 92.53 52.82 31.85 91.05 52.77 31.98 91.79 3 0 1000.00 -999 ? >THR~B 82 49.40 31.29 95.71 47.96 29.66 95.90 48.68 30.47 95.80 2 0 1000.00 -999 ? >SER~B 83 50.71 32.95 98.87 53.11 32.44 99.13 51.91 32.70 99.00 2 0 1000.00 -999 ? >ALA~B 84 52.28 35.88 97.00 53.45 35.64 96.06 52.87 35.76 96.53 2 0 1000.00 -999 ? >VAL~B 85 49.20 37.18 95.17 49.35 35.67 93.57 49.28 36.43 94.37 3 0 1000.00 -999 ? >GLN~B 86 46.70 35.05 99.09 45.06 33.89 98.38 45.88 34.47 98.73 2 0 1000.00 -999 ? >PRO.B 87 43.06 40.11 98.26 45.26 40.08 98.57 44.16 40.10 98.42 3 0 1000.00 -999 ? >GLY.B 88 47.82 42.72 100.80 48.09 42.22 100.18 47.95 42.47 100.49 1 0 1000.00 -999 ? >GLN.B 89 49.81 38.31 100.59 50.93 38.37 102.45 50.37 38.34 101.52 2 0 1000.00 -999 ? >SER.B 90 53.58 41.78 97.34 55.52 40.42 96.94 54.55 41.10 97.14 2 0 1000.00 -999 ? >LEU.B 91 53.16 39.08 93.56 55.08 39.05 92.59 54.12 39.06 93.08 3 0 1000.00 -999 ? >TYR.B 92 46.45 41.92 95.36 43.81 42.64 95.05 45.13 42.28 95.20 3 0 1000.00 -999 ? >GLY~B 93 47.54 41.84 90.81 47.95 41.12 90.89 47.75 41.48 90.85 1 0 1000.00 -999 ? >LEU~B 94 50.91 38.54 89.78 52.61 37.38 89.03 51.76 37.96 89.41 3 0 1000.00 -999 ? >GLN~B 95 45.13 37.59 90.21 46.02 38.06 92.13 45.58 37.82 91.17 2 0 1000.00 -999 ? >LEU~B 96 44.95 41.07 86.62 43.27 41.42 87.94 44.11 41.24 87.28 3 0 1000.00 -999 ? >THR~B 97 48.66 40.03 83.99 50.49 39.86 85.15 49.58 39.94 84.57 2 0 1000.00 -999 ? >ASN~B 98 50.39 37.17 81.11 52.35 37.90 81.34 51.37 37.53 81.22 2 0 1000.00 -999 ? >GLN~B 99 45.86 38.90 77.11 47.52 40.21 77.32 46.69 39.55 77.21 2 0 1000.00 -999 ? >GLN~B 100 42.95 37.59 83.33 42.85 38.98 81.75 42.90 38.28 82.54 2 0 1000.00 -999 ? >ARG~B 101 48.02 33.00 77.97 49.55 30.63 76.69 48.78 31.81 77.33 2 0 1000.00 -999 ? >ILE.B 102 49.83 34.08 85.75 51.26 34.49 86.23 50.54 34.28 85.99 3 0 1000.00 -999 ? >ILE.B 103 46.76 29.04 86.72 45.65 29.16 86.36 46.20 29.10 86.54 3 0 1000.00 -999 ? >ILE.B 104 47.12 32.45 91.45 46.49 33.78 91.33 46.81 33.12 91.39 3 0 1000.00 -999 ? >PHE.B 105 44.00 27.61 91.40 42.41 27.74 89.10 43.20 27.67 90.25 3 0 1000.00 -999 ? >GLY.B 106 47.83 24.26 92.36 47.19 24.42 91.91 47.51 24.34 92.14 1 0 1000.00 -999 ? >GLY.B 107 48.12 21.85 89.46 48.70 22.45 89.34 48.41 22.15 89.40 1 0 1000.00 -999 ? >GLY^B 108 50.92 23.20 87.26 51.06 23.01 88.03 50.99 23.11 87.64 1 0 1000.00 -999 ? >LEU^B 109 54.46 20.49 88.37 53.94 20.03 90.45 54.20 20.26 89.41 3 0 1000.00 -999 ? >PRO^B 110 58.62 23.40 87.58 57.22 22.31 86.17 57.92 22.86 86.88 3 0 1000.00 -999 ? >VAL^B 111 59.66 19.39 84.21 59.15 17.82 82.79 59.40 18.60 83.50 3 0 1000.00 -999 ? >ILE^B 112 63.36 20.27 87.13 63.54 21.12 88.18 63.45 20.70 87.65 3 0 1000.00 -999 ? >PHE^B 113 66.24 16.27 81.87 67.75 14.13 80.88 67.00 15.20 81.37 3 0 1000.00 -999 ? >ASN.B 114 70.06 19.06 82.74 70.81 17.33 81.74 70.43 18.19 82.24 2 0 1000.00 -999 ? >GLU.B 115 70.76 20.98 88.39 72.72 21.63 88.94 71.74 21.30 88.67 2 0 1000.00 -999 ? >GLN^B 116 67.08 23.04 81.37 68.40 23.72 79.80 67.74 23.38 80.58 2 0 1000.00 -999 ? >VAL^B 117 63.19 23.79 83.07 61.75 25.18 83.95 62.47 24.49 83.51 3 0 1000.00 -999 ? >ILE^B 118 63.31 20.40 79.74 63.79 19.17 80.04 63.55 19.78 79.89 3 0 1000.00 -999 ? >GLY^B 119 58.79 21.72 79.81 59.07 21.96 80.58 58.93 21.84 80.19 1 0 1000.00 -999 ? >ALA^B 120 55.72 21.76 82.10 55.42 23.17 82.58 55.57 22.47 82.34 2 0 1000.00 -999 ? >VAL^B 121 52.53 19.88 82.94 53.29 18.01 83.74 52.91 18.95 83.34 3 0 1000.00 -999 ? >GLY^B 122 49.10 21.08 84.02 49.07 20.30 83.73 49.08 20.69 83.87 1 0 1000.00 -999 ? >VAL^B 123 46.20 19.16 85.56 46.28 17.04 86.19 46.24 18.10 85.87 3 0 1000.00 -999 ? >SER^B 124 42.75 20.63 85.96 41.65 22.82 85.65 42.20 21.73 85.81 2 0 1000.00 -999 ? >GLY.B 125 39.40 19.02 86.88 39.84 19.07 87.53 39.62 19.04 87.21 1 0 1000.00 -999 ? >GLY.B 126 39.85 17.62 90.41 39.89 18.39 90.23 39.87 18.01 90.32 1 0 1000.00 -999 ? >THR~B 127 40.29 19.40 93.69 40.12 18.02 95.39 40.20 18.71 94.54 2 0 1000.00 -999 ? >VAL~B 128 43.39 21.55 93.86 43.68 23.66 94.32 43.54 22.60 94.09 3 0 1000.00 -999 ? >GLU~B 129 44.26 19.26 98.46 42.90 20.92 98.25 43.58 20.09 98.36 2 0 1000.00 -999 ? >GLN~B 130 41.79 14.92 93.95 39.79 14.47 93.33 40.79 14.69 93.64 2 0 1000.00 -999 ? >ASP~B 131 44.86 19.64 90.10 42.84 19.85 89.53 43.85 19.75 89.82 2 0 1000.00 -999 ? >GLN~B 132 49.93 20.43 93.31 50.15 21.52 95.12 50.04 20.97 94.21 2 0 1000.00 -999 ? >LEU~B 133 47.85 14.12 93.74 48.29 12.24 94.78 48.07 13.18 94.26 3 0 1000.00 -999 ? >LEU~B 134 46.85 14.07 88.60 45.07 12.83 88.78 45.96 13.45 88.69 3 0 1000.00 -999 ? >ALA~B 135 50.60 16.47 87.93 50.44 17.97 88.04 50.52 17.22 87.98 2 0 1000.00 -999 ? >GLN~B 136 54.38 14.56 92.48 56.15 15.58 91.96 55.26 15.07 92.22 2 0 1000.00 -999 ? >CYH~B 137 52.42 11.71 88.96 50.72 9.60 88.34 51.57 10.65 88.65 2 0 1000.00 -999 ? >ALA~B 138 53.29 12.86 85.43 52.63 14.00 84.68 52.96 13.43 85.05 2 0 1000.00 -999 ? >LEU~B 139 57.10 15.14 87.45 56.68 17.19 87.12 56.89 16.17 87.29 3 0 1000.00 -999 ? >ASP~B 140 56.44 10.22 89.56 56.31 11.48 91.30 56.37 10.85 90.43 2 0 1000.00 -999 ? >CYH~B 141 56.70 8.93 85.26 55.52 8.61 82.78 56.11 8.77 84.02 2 0 1000.00 -999 ? >PHE~B 142 59.94 13.33 82.20 62.06 14.44 80.79 61.00 13.89 81.50 3 0 1000.00 -999 ? >SER~B 143 61.97 10.69 85.37 62.24 10.54 87.82 62.11 10.61 86.60 2 0 1000.00 -999 ? >ALA.B 144 61.36 6.94 85.18 60.23 6.19 85.90 60.79 6.57 85.54 2 0 1000.00 -999 ? >LEU.B 145 60.84 7.75 80.36 58.76 7.97 79.76 59.80 7.86 80.06 3 0 1000.00 -999 ? >GLU.B 146 65.81 4.55 79.75 64.65 3.48 81.20 65.23 4.01 80.47 2 0 1000.00 -999 ? >MET.C 4 63.03 6.63 72.86 60.26 7.53 75.83 61.65 7.08 74.34 2 0 1000.00 -999 ? >ASN.C 5 64.85 10.97 72.67 63.63 11.51 70.99 64.24 11.24 71.83 2 0 1000.00 -999 ? >LYS.C 6 62.57 12.20 76.53 64.27 10.78 82.54 63.42 11.49 79.53 2 0 1000.00 -999 ? >SER^C 7 64.29 15.46 75.47 66.31 15.73 76.80 65.30 15.60 76.13 2 0 1000.00 -999 ? >GLN^C 8 64.12 16.65 70.38 62.93 17.49 68.82 63.52 17.07 69.60 2 0 1000.00 -999 ? >GLN^C 9 70.96 18.64 73.61 72.45 17.09 73.42 71.71 17.86 73.52 2 0 1000.00 -999 ? >VAL^C 10 68.12 22.73 70.71 65.94 22.72 70.83 67.03 22.73 70.77 3 0 1000.00 -999 ? >GLN^C 11 71.96 26.76 69.25 73.50 25.47 69.95 72.73 26.11 69.60 2 0 1000.00 -999 ? >THR^C 12 68.40 29.62 70.90 67.50 30.37 72.75 67.95 30.00 71.83 2 0 1000.00 -999 ? >ILE^C 13 68.95 34.12 68.99 68.61 35.23 68.33 68.78 34.67 68.66 3 0 1000.00 -999 ? >THR~C 14 70.89 35.22 73.03 72.91 34.64 73.22 71.90 34.93 73.13 2 0 1000.00 -999 ? >LEU~C 15 69.96 39.25 75.64 69.20 41.26 76.17 69.58 40.25 75.91 3 0 1000.00 -999 ? >ALA~C 16 73.89 39.57 73.50 75.04 38.76 74.06 74.47 39.17 73.78 2 0 1000.00 -999 ? >ALA~C 17 73.45 38.49 69.90 73.02 37.13 69.37 73.24 37.81 69.63 2 0 1000.00 -999 ? >ALA~C 18 70.28 40.53 69.47 69.00 40.29 70.27 69.64 40.41 69.87 2 0 1000.00 -999 ? >GLN~C 19 71.74 43.83 73.36 72.62 43.24 75.22 72.18 43.53 74.29 2 0 1000.00 -999 ? >GLN~C 20 76.55 41.58 69.07 78.07 42.93 69.63 77.31 42.26 69.35 2 0 1000.00 -999 ? >MET~C 21 72.24 43.01 65.48 70.99 39.03 65.35 71.61 41.02 65.42 2 0 1000.00 -999 ? >ALA~C 22 70.23 46.02 66.73 69.61 46.18 68.15 69.92 46.10 67.44 2 0 1000.00 -999 ? >ALA~C 23 73.24 48.37 66.68 74.51 48.16 67.49 73.88 48.26 67.09 2 0 1000.00 -999 ? >ALA~C 24 73.82 47.09 63.10 74.12 45.63 62.74 73.97 46.36 62.92 2 0 1000.00 -999 ? >VAL~C 25 70.19 47.66 62.04 68.38 46.47 61.87 69.28 47.07 61.95 3 0 1000.00 -999 ? >GLU~C 26 69.92 52.89 65.54 70.02 53.23 67.63 69.97 53.06 66.58 2 0 1000.00 -999 ? >LYS~C 27 73.25 51.92 61.74 77.60 50.42 63.36 75.43 51.17 62.55 2 0 1000.00 -999 ? >LYS~C 28 72.04 50.99 58.27 74.99 49.04 54.67 73.51 50.02 56.47 2 0 1000.00 -999 ? >ALA~C 29 68.61 52.52 58.91 67.72 52.21 60.06 68.17 52.36 59.49 2 0 1000.00 -999 ? >THR~C 30 70.30 55.80 59.64 71.21 56.63 61.40 70.75 56.22 60.52 2 0 1000.00 -999 ? >GLU~C 31 73.97 53.87 55.65 76.01 53.27 55.64 74.99 53.57 55.64 2 0 1000.00 -999 ? >ILE~C 32 68.94 53.26 53.74 68.81 51.80 53.92 68.88 52.53 53.83 3 0 1000.00 -999 ? >ASN.C 33 67.40 58.61 54.64 66.88 60.59 55.34 67.14 59.60 54.99 2 0 1000.00 -999 ? >VAL.C 34 64.71 55.58 57.51 63.66 53.84 56.58 64.18 54.71 57.05 3 0 1000.00 -999 ? >ALA.C 35 63.44 55.07 61.03 62.92 56.20 61.83 63.18 55.63 61.43 2 0 1000.00 -999 ? >VAL.C 36 62.44 51.53 61.96 63.82 50.52 60.57 63.13 51.03 61.27 3 0 1000.00 -999 ? >VAL^C 37 61.46 49.26 64.85 59.59 49.26 66.03 60.53 49.26 65.44 3 0 1000.00 -999 ? >PHE^C 38 66.14 45.29 65.25 67.84 43.04 65.25 66.99 44.17 65.25 3 0 1000.00 -999 ? >SER^C 39 62.60 43.07 67.12 60.44 43.95 67.81 61.52 43.51 67.47 2 0 1000.00 -999 ? >VAL^C 40 64.27 39.77 68.03 66.46 39.48 68.04 65.37 39.63 68.03 3 0 1000.00 -999 ? >VAL^C 41 62.57 36.69 69.47 60.92 36.25 68.11 61.75 36.47 68.79 3 0 1000.00 -999 ? >ASP.C 42 64.53 33.29 72.29 62.81 32.96 73.50 63.67 33.12 72.90 2 0 1000.00 -999 ? >ARG.C 43 63.76 26.43 70.69 63.69 25.01 68.01 63.72 25.72 69.35 2 0 1000.00 -999 ? >GLY.C 44 60.42 29.38 71.18 60.68 30.08 70.92 60.55 29.73 71.05 1 0 1000.00 -999 ? >GLY.C 45 59.23 32.65 69.64 59.51 32.69 70.39 59.37 32.67 70.01 1 0 1000.00 -999 ? >ASN.C 46 59.38 34.10 74.15 58.00 32.48 74.29 58.69 33.29 74.22 2 0 1000.00 -999 ? >THR^C 47 60.49 38.39 73.07 59.33 40.20 73.10 59.91 39.30 73.09 2 0 1000.00 -999 ? >LEU^C 48 65.27 38.30 72.75 66.57 36.76 73.64 65.92 37.53 73.20 3 0 1000.00 -999 ? >LEU^C 49 66.19 42.70 71.84 67.36 44.42 70.98 66.78 43.56 71.41 3 0 1000.00 -999 ? >ILE^C 50 60.96 45.21 71.16 59.53 44.99 70.76 60.25 45.10 70.96 3 0 1000.00 -999 ? >GLN^C 51 65.98 49.69 70.12 68.02 49.63 69.58 67.00 49.66 69.85 2 0 1000.00 -999 ? >ARG^C 52 58.69 53.42 67.53 58.22 55.69 69.56 58.45 54.55 68.54 2 0 1000.00 -999 ? >MET.C 53 64.03 54.56 66.78 66.38 53.83 63.44 65.21 54.20 65.11 2 0 1000.00 -999 ? >ASP.C 54 63.33 59.12 68.33 65.08 58.57 69.40 64.21 58.84 68.86 2 0 1000.00 -999 ? >GLU.C 55 62.53 60.54 63.71 61.19 62.00 64.46 61.86 61.27 64.08 2 0 1000.00 -999 ? >ALA.C 56 59.73 55.00 63.63 60.31 53.68 64.05 60.02 54.34 63.84 2 0 1000.00 -999 ? >PHE.C 57 55.45 54.87 60.77 55.77 56.02 58.21 55.61 55.45 59.49 3 0 1000.00 -999 ? >VAL.C 58 54.42 53.91 66.64 53.59 55.53 67.89 54.00 54.72 67.26 3 0 1000.00 -999 ? >SER~C 59 52.26 51.29 64.82 51.50 52.64 62.93 51.88 51.96 63.88 2 0 1000.00 -999 ? >SER~C 60 55.53 49.60 63.80 56.22 50.95 61.88 55.87 50.28 62.84 2 0 1000.00 -999 ? >CYH~C 61 56.14 48.12 67.31 56.35 50.44 68.83 56.24 49.28 68.07 2 0 1000.00 -999 ? >ASP~C 62 51.91 46.06 66.74 50.39 44.63 67.05 51.15 45.35 66.89 2 0 1000.00 -999 ? >ILE~C 63 54.22 45.34 62.22 53.48 45.73 61.00 53.85 45.53 61.61 3 0 1000.00 -999 ? >SER~C 64 58.06 44.30 64.06 60.20 44.83 64.97 59.13 44.56 64.51 2 0 1000.00 -999 ? >LEU~C 65 57.00 42.05 68.26 57.24 40.80 70.04 57.12 41.42 69.15 3 0 1000.00 -999 ? >ASN~C 66 53.60 40.26 64.77 52.50 40.48 66.58 53.05 40.37 65.67 2 0 1000.00 -999 ? >LYS~C 67 57.26 39.60 61.88 57.66 44.77 58.00 57.46 42.18 59.94 2 0 1000.00 -999 ? >ALA~C 68 59.95 38.14 64.13 60.58 38.88 65.30 60.27 38.51 64.71 2 0 1000.00 -999 ? >TRP~C 69 55.68 34.44 68.24 52.60 33.17 66.11 54.14 33.80 67.17 3 0 1000.00 -999 ? >SER~C 70 56.08 34.58 62.28 54.42 36.26 61.91 55.25 35.42 62.09 2 0 1000.00 -999 ? >ALA~C 71 59.59 34.03 60.89 60.62 35.13 60.68 60.10 34.58 60.79 2 0 1000.00 -999 ? >CYH~C 72 60.39 31.94 63.94 61.18 31.40 66.54 60.78 31.67 65.24 2 0 1000.00 -999 ? >SER~C 73 56.94 30.27 63.87 55.27 31.30 65.36 56.10 30.78 64.62 2 0 1000.00 -999 ? >LEU~C 74 56.08 30.36 59.16 53.92 30.49 58.84 55.00 30.43 59.00 3 0 1000.00 -999 ? >LYS.C 75 60.52 28.73 59.81 60.50 23.99 63.56 60.51 26.36 61.69 2 0 1000.00 -999 ? >GLN.C 76 58.35 31.15 55.88 56.92 29.98 54.76 57.63 30.56 55.32 2 0 1000.00 -999 ? >GLY~C 77 60.85 34.76 55.90 60.21 34.25 55.72 60.53 34.50 55.81 1 0 1000.00 -999 ? >THR~C 78 57.62 36.71 56.06 57.72 38.14 57.70 57.67 37.42 56.88 2 0 1000.00 -999 ? >HIS~C 79 60.57 37.63 51.64 62.38 36.58 51.68 61.47 37.11 51.66 3 0 1000.00 -999 ? >GLU~C 80 60.55 33.24 51.72 61.69 31.61 52.47 61.12 32.43 52.10 2 0 1000.00 -999 ? >ILE~C 81 53.96 33.68 53.95 54.55 34.11 55.39 54.25 33.90 54.67 3 0 1000.00 -999 ? >THR~C 82 52.93 36.76 50.75 53.47 38.88 50.69 53.20 37.82 50.72 2 0 1000.00 -999 ? >SER.C 83 51.90 34.80 47.62 53.85 33.36 47.22 52.87 34.08 47.42 2 0 1000.00 -999 ? >ALA.C 84 50.50 31.73 49.44 51.26 31.14 50.63 50.88 31.44 50.04 2 0 1000.00 -999 ? >VAL.C 85 47.86 33.94 51.10 49.03 34.81 52.75 48.45 34.37 51.93 3 0 1000.00 -999 ? >GLN.C 86 48.25 36.75 46.97 48.53 38.61 47.97 48.39 37.68 47.47 2 0 1000.00 -999 ? >PRO.C 87 42.29 37.93 47.80 43.17 35.87 47.70 42.73 36.90 47.75 3 0 1000.00 -999 ? >GLY.C 88 42.11 32.43 45.39 42.67 32.45 46.00 42.39 32.44 45.70 1 0 1000.00 -999 ? >GLN.C 89 46.69 32.82 45.74 47.08 31.85 43.87 46.89 32.33 44.81 2 0 1000.00 -999 ? >SER.C 90 45.63 27.90 49.07 47.85 26.88 49.29 46.74 27.39 49.18 2 0 1000.00 -999 ? >LEU.C 91 47.92 29.57 52.91 48.91 27.83 53.73 48.41 28.70 53.32 3 0 1000.00 -999 ? >TYR.C 92 42.10 33.91 50.91 40.28 36.07 51.06 41.19 34.99 50.99 3 0 1000.00 -999 ? >GLY.C 93 42.97 33.37 55.48 43.81 33.25 55.40 43.39 33.31 55.44 1 0 1000.00 -999 ? >LEU.C 94 47.37 31.71 56.58 49.13 30.66 57.30 48.25 31.19 56.94 3 0 1000.00 -999 ? >GLN.C 95 45.27 37.28 56.13 45.55 36.59 54.14 45.41 36.93 55.14 2 0 1000.00 -999 ? >LEU~C 96 42.09 35.71 59.62 40.91 37.32 58.75 41.50 36.51 59.18 3 0 1000.00 -999 ? >THR~C 97 44.63 32.93 62.51 45.48 31.55 61.17 45.06 32.24 61.84 2 0 1000.00 -999 ? >ASN~C 98 48.13 33.03 65.20 48.60 30.96 65.14 48.37 32.00 65.17 2 0 1000.00 -999 ? >GLN~C 99 44.65 36.46 69.26 44.30 34.36 69.13 44.47 35.41 69.19 2 0 1000.00 -999 ? >GLN~C 100 44.09 39.01 62.84 42.89 38.35 64.48 43.49 38.68 63.66 2 0 1000.00 -999 ? >ARG~C 101 50.86 37.16 68.39 53.71 36.58 69.47 52.29 36.87 68.93 2 0 1000.00 -999 ? >ILE.C 102 50.46 34.94 60.47 50.41 33.72 60.18 50.44 34.33 60.32 3 0 1000.00 -999 ? >ILE.C 103 53.86 39.67 59.71 53.30 41.02 59.97 53.58 40.35 59.84 3 0 1000.00 -999 ? >ILE.C 104 50.90 37.97 55.06 49.71 37.91 55.03 50.31 37.94 55.04 3 0 1000.00 -999 ? >PHE.C 105 53.66 43.11 54.93 52.53 44.41 57.15 53.10 43.76 56.04 3 0 1000.00 -999 ? >GLY.C 106 58.57 41.05 54.10 58.10 41.49 54.47 58.34 41.27 54.28 1 0 1000.00 -999 ? >GLY.C 107 60.74 42.22 56.96 60.55 41.41 57.05 60.64 41.81 57.01 1 0 1000.00 -999 ? >GLY^C 108 60.82 39.18 59.23 61.03 39.10 58.41 60.93 39.14 58.82 1 0 1000.00 -999 ? >LEU^C 109 64.70 37.03 58.01 64.78 37.77 55.92 64.74 37.40 56.96 3 0 1000.00 -999 ? >PRO^C 110 63.44 32.18 59.24 64.38 33.92 60.33 63.91 33.05 59.79 3 0 1000.00 -999 ? >VAL^C 111 68.08 33.11 62.35 69.06 34.32 63.85 68.57 33.72 63.10 3 0 1000.00 -999 ? >ILE^C 112 69.28 29.37 59.38 68.85 28.92 58.29 69.07 29.14 58.83 3 0 1000.00 -999 ? >PHE^C 113 73.88 29.27 64.66 76.52 29.21 65.58 75.20 29.24 65.12 3 0 1000.00 -999 ? >ASN.C 114 73.86 24.95 64.16 75.81 25.47 64.86 74.83 25.21 64.51 2 0 1000.00 -999 ? >GLU.C 115 72.31 22.88 58.47 71.43 23.67 56.67 71.87 23.27 57.57 2 0 1000.00 -999 ? >GLN^C 116 68.81 23.35 65.26 69.03 23.52 67.37 68.92 23.43 66.31 2 0 1000.00 -999 ? >VAL^C 117 66.00 27.69 63.51 64.25 28.37 62.41 65.12 28.03 62.96 3 0 1000.00 -999 ? >ILE^C 118 68.93 29.44 66.89 70.26 29.57 66.64 69.59 29.51 66.76 3 0 1000.00 -999 ? >GLY^C 119 65.07 32.47 66.68 65.28 32.25 65.88 65.17 32.36 66.28 1 0 1000.00 -999 ? >ALA^C 120 64.20 35.35 64.39 62.85 34.99 63.83 63.52 35.17 64.11 2 0 1000.00 -999 ? >VAL^C 121 64.28 39.04 63.56 66.24 39.28 62.62 65.26 39.16 63.09 3 0 1000.00 -999 ? >GLY^C 122 61.61 41.52 62.46 62.24 41.90 62.82 61.92 41.71 62.64 1 0 1000.00 -999 ? >VAL^C 123 61.90 45.03 61.01 63.89 45.66 60.24 62.90 45.35 60.63 3 0 1000.00 -999 ? >SER^C 124 59.04 47.45 60.38 56.61 47.83 60.71 57.82 47.64 60.55 2 0 1000.00 -999 ? >GLY.C 125 59.08 51.19 59.67 58.90 50.81 58.99 58.99 51.00 59.33 1 0 1000.00 -999 ? >GLY.C 126 59.98 51.97 56.03 59.56 51.26 56.19 59.77 51.62 56.11 1 0 1000.00 -999 ? >THR~C 127 59.04 50.32 52.71 60.20 51.11 51.02 59.62 50.71 51.86 2 0 1000.00 -999 ? >VAL~C 128 58.81 46.51 52.62 57.46 44.93 52.05 58.14 45.72 52.33 3 0 1000.00 -999 ? >GLU~C 129 61.56 45.92 48.25 59.54 46.58 47.96 60.55 46.25 48.10 2 0 1000.00 -999 ? >GLN~C 130 63.76 51.04 52.43 63.05 53.01 52.92 63.40 52.02 52.68 2 0 1000.00 -999 ? >ASP~C 131 61.10 46.01 56.29 59.92 47.64 56.98 60.51 46.83 56.64 2 0 1000.00 -999 ? >GLN~C 132 63.23 41.37 52.85 61.88 40.85 51.33 62.56 41.11 52.09 2 0 1000.00 -999 ? >LEU~C 133 67.58 45.89 52.64 69.13 47.46 52.79 68.36 46.68 52.71 3 0 1000.00 -999 ? >LEU~C 134 66.81 47.06 57.75 67.29 49.17 57.96 67.05 48.12 57.86 3 0 1000.00 -999 ? >ALA~C 135 66.45 42.55 58.37 65.12 41.88 58.00 65.79 42.22 58.18 2 0 1000.00 -999 ? >GLN~C 136 70.15 39.78 54.14 69.73 37.76 54.70 69.94 38.77 54.42 2 0 1000.00 -999 ? >CYH~C 137 71.88 43.15 57.52 72.29 45.81 58.59 72.09 44.48 58.05 2 0 1000.00 -999 ? >ALA~C 138 70.81 41.93 60.97 69.39 41.92 61.53 70.10 41.92 61.25 2 0 1000.00 -999 ? >LEU~C 139 70.71 37.55 58.88 68.97 36.46 59.49 69.84 37.01 59.19 3 0 1000.00 -999 ? >ASP~C 140 74.78 40.35 57.04 73.75 39.87 55.25 74.27 40.11 56.14 2 0 1000.00 -999 ? >CYH~C 141 75.85 40.82 61.38 75.62 42.15 63.87 75.74 41.49 62.63 2 0 1000.00 -999 ? >PHE~C 142 73.45 35.74 63.96 73.34 33.35 65.38 73.39 34.55 64.67 3 0 1000.00 -999 ? >SER~C 143 77.10 35.42 60.95 76.32 36.45 58.92 76.71 35.93 59.94 2 0 1000.00 -999 ? >ALA~C 144 80.37 37.27 61.70 80.74 38.39 60.78 80.56 37.83 61.24 2 0 1000.00 -999 ? >LEU.C 145 78.56 37.21 66.20 77.49 38.96 66.83 78.02 38.08 66.52 3 0 1000.00 -999 ? >GLU.C 146 83.74 34.90 65.26 83.34 33.47 63.75 83.54 34.18 64.51 2 0 1000.00 -999 ? >MET.D 4 6.25 18.63 73.01 7.57 21.84 75.23 6.91 20.24 74.12 2 0 1000.00 -999 ? >ASN.D 5 10.40 16.37 71.93 11.88 14.86 72.41 11.14 15.61 72.17 2 0 1000.00 -999 ? >LYS.D 6 11.76 18.52 76.08 9.64 16.63 81.68 10.70 17.58 78.88 2 0 1000.00 -999 ? >SER^D 7 14.89 16.50 75.25 15.02 14.87 77.05 14.96 15.69 76.15 2 0 1000.00 -999 ? >GLN^D 8 15.62 16.48 70.10 16.35 18.14 68.92 15.98 17.31 69.51 2 0 1000.00 -999 ? >GLN^D 9 18.34 9.81 73.36 19.50 7.99 73.31 18.92 8.90 73.34 2 0 1000.00 -999 ? >VAL^D 10 22.07 12.85 70.55 22.23 15.10 70.72 22.15 13.98 70.63 3 0 1000.00 -999 ? >GLN^D 11 26.11 9.07 69.26 24.97 7.31 69.05 25.54 8.19 69.15 2 0 1000.00 -999 ? >THR^D 12 29.04 12.39 70.63 29.73 13.31 72.51 29.39 12.85 71.57 2 0 1000.00 -999 ? >ILE^D 13 33.46 11.66 68.79 34.49 12.06 68.09 33.98 11.86 68.44 3 0 1000.00 -999 ? >THR~D 14 34.54 9.82 72.84 33.94 7.74 73.00 34.24 8.78 72.92 2 0 1000.00 -999 ? >LEU~D 15 38.63 10.98 75.31 40.74 11.61 75.66 39.68 11.30 75.48 3 0 1000.00 -999 ? >ALA~D 16 39.06 6.96 73.24 38.41 5.69 73.78 38.73 6.33 73.51 2 0 1000.00 -999 ? >ALA~D 17 38.01 7.38 69.57 36.61 7.62 69.09 37.31 7.50 69.33 2 0 1000.00 -999 ? >ALA~D 18 39.98 10.64 69.29 39.69 11.90 70.07 39.83 11.27 69.68 2 0 1000.00 -999 ? >GLN~D 19 43.44 9.10 73.10 42.57 8.43 74.89 43.01 8.76 74.00 2 0 1000.00 -999 ? >GLN~D 20 41.68 4.30 68.75 43.29 2.87 68.81 42.49 3.58 68.78 2 0 1000.00 -999 ? >MET~D 21 42.42 8.97 65.07 38.49 10.47 64.40 40.45 9.72 64.74 2 0 1000.00 -999 ? >ALA~D 22 45.38 10.86 66.56 45.49 11.36 68.00 45.43 11.11 67.28 2 0 1000.00 -999 ? >ALA~D 23 47.62 7.79 66.31 47.50 6.62 67.23 47.56 7.21 66.77 2 0 1000.00 -999 ? >ALA~D 24 46.52 7.11 62.69 45.13 6.77 62.23 45.82 6.94 62.46 2 0 1000.00 -999 ? >VAL~D 25 47.21 10.72 61.68 46.15 12.63 61.81 46.68 11.67 61.74 3 0 1000.00 -999 ? >GLU~D 26 52.12 10.73 65.55 52.44 9.62 67.34 52.28 10.17 66.44 2 0 1000.00 -999 ? >LYS~D 27 51.90 7.71 61.52 51.10 2.19 64.13 51.50 4.95 62.82 2 0 1000.00 -999 ? >LYS~D 28 50.40 8.89 58.21 48.26 7.20 53.19 49.33 8.04 55.70 2 0 1000.00 -999 ? >ALA~D 29 51.88 12.40 58.48 51.71 13.34 59.66 51.80 12.87 59.07 2 0 1000.00 -999 ? >THR~D 30 55.35 11.02 58.91 56.48 10.41 60.59 55.91 10.71 59.75 2 0 1000.00 -999 ? >GLU~D 31 52.98 7.15 55.17 51.66 5.45 55.53 52.32 6.30 55.35 2 0 1000.00 -999 ? >ILE~D 32 52.77 11.95 53.48 51.40 12.26 53.76 52.09 12.10 53.62 3 0 1000.00 -999 ? >ASN.D 33 58.18 13.38 54.46 59.99 14.19 55.29 59.09 13.79 54.87 2 0 1000.00 -999 ? >VAL.D 34 55.03 16.28 57.12 53.03 17.11 56.64 54.03 16.70 56.88 3 0 1000.00 -999 ? >ALA.D 35 54.55 17.41 60.78 55.70 17.89 61.63 55.13 17.65 61.21 2 0 1000.00 -999 ? >VAL.D 36 51.03 18.39 61.80 49.96 17.11 60.32 50.49 17.75 61.06 3 0 1000.00 -999 ? >VAL^D 37 48.69 19.37 64.65 48.84 21.25 65.80 48.76 20.31 65.22 3 0 1000.00 -999 ? >PHE^D 38 44.56 14.94 64.85 42.22 13.50 64.40 43.39 14.22 64.63 3 0 1000.00 -999 ? >SER^D 39 42.54 18.36 67.15 43.56 20.58 67.32 43.05 19.47 67.24 2 0 1000.00 -999 ? >VAL^D 40 39.19 16.61 67.82 39.02 14.43 67.62 39.11 15.52 67.72 3 0 1000.00 -999 ? >VAL^D 41 36.03 18.39 69.11 35.78 20.34 68.00 35.90 19.37 68.55 3 0 1000.00 -999 ? >ASP.D 42 32.66 16.33 71.99 32.25 18.05 73.22 32.45 17.19 72.61 2 0 1000.00 -999 ? >ARG.D 43 25.80 17.35 70.15 23.72 17.52 67.92 24.76 17.43 69.04 2 0 1000.00 -999 ? >GLY.D 44 29.13 20.85 71.05 29.83 20.53 70.71 29.48 20.69 70.88 1 0 1000.00 -999 ? >GLY.D 45 32.51 21.56 69.50 32.40 21.42 70.33 32.46 21.49 69.91 1 0 1000.00 -999 ? >ASN.D 46 33.40 21.01 74.17 31.93 22.47 74.71 32.67 21.74 74.44 2 0 1000.00 -999 ? >THR^D 47 37.79 20.22 72.75 39.58 21.39 72.85 38.69 20.81 72.80 2 0 1000.00 -999 ? >LEU^D 48 38.08 15.35 72.59 36.05 14.62 72.98 37.06 14.99 72.79 3 0 1000.00 -999 ? >LEU^D 49 42.42 15.08 71.42 43.93 13.79 70.53 43.18 14.44 70.98 3 0 1000.00 -999 ? >ILE^D 50 45.28 20.14 70.96 45.00 21.56 70.65 45.14 20.85 70.81 3 0 1000.00 -999 ? >GLN^D 51 49.39 14.44 69.53 48.96 12.40 69.16 49.17 13.42 69.35 2 0 1000.00 -999 ? >ARG^D 52 52.69 22.26 68.04 55.61 22.75 68.88 54.15 22.50 68.46 2 0 1000.00 -999 ? >MET.D 53 54.21 16.93 66.40 53.05 14.62 63.08 53.63 15.77 64.74 2 0 1000.00 -999 ? >ASP.D 54 58.77 17.54 67.84 58.33 16.18 69.35 58.55 16.86 68.60 2 0 1000.00 -999 ? >GLU.D 55 60.50 18.56 63.60 61.44 19.94 64.94 60.97 19.25 64.27 2 0 1000.00 -999 ? >ALA.D 56 54.86 21.20 63.46 53.55 20.62 63.95 54.20 20.91 63.70 2 0 1000.00 -999 ? >PHE.D 57 54.36 25.44 60.78 55.61 24.98 58.36 54.98 25.21 59.57 3 0 1000.00 -999 ? >VAL.D 58 53.09 26.27 66.65 54.76 27.13 67.77 53.93 26.70 67.21 3 0 1000.00 -999 ? >SER~D 59 50.95 28.57 64.53 52.03 28.68 62.33 51.49 28.62 63.43 2 0 1000.00 -999 ? >SER~D 60 48.92 25.48 63.57 49.73 24.62 61.36 49.32 25.05 62.46 2 0 1000.00 -999 ? >CYH~D 61 47.60 24.80 67.06 49.35 23.72 68.71 48.48 24.26 67.88 2 0 1000.00 -999 ? >ASP~D 62 45.01 28.88 67.32 43.28 29.86 68.15 44.15 29.37 67.73 2 0 1000.00 -999 ? >ILE~D 63 45.45 26.75 62.20 46.09 27.18 61.00 45.77 26.97 61.60 3 0 1000.00 -999 ? >SER~D 64 43.83 23.02 63.85 44.41 20.82 64.72 44.12 21.92 64.29 2 0 1000.00 -999 ? >LEU~D 65 41.64 24.03 68.11 40.36 23.67 69.93 41.00 23.85 69.02 3 0 1000.00 -999 ? >ASN~D 66 39.76 27.47 64.61 40.25 28.52 66.37 40.01 27.99 65.49 2 0 1000.00 -999 ? >LYS~D 67 39.34 23.59 61.82 44.17 23.68 57.70 41.75 23.64 59.76 2 0 1000.00 -999 ? >ALA~D 68 37.61 21.00 64.05 38.28 20.27 65.22 37.94 20.63 64.64 2 0 1000.00 -999 ? >TRP~D 69 33.67 25.30 68.06 32.60 28.39 65.86 33.13 26.85 66.96 3 0 1000.00 -999 ? >SER~D 70 34.40 25.01 62.26 35.94 26.75 61.57 35.17 25.88 61.92 2 0 1000.00 -999 ? >ALA~D 71 33.61 21.61 60.70 34.62 20.49 60.50 34.12 21.05 60.60 2 0 1000.00 -999 ? >CYH~D 72 31.45 20.65 63.65 30.85 19.95 66.31 31.15 20.30 64.98 2 0 1000.00 -999 ? >SER~D 73 29.49 23.88 63.83 30.51 24.81 65.74 30.00 24.34 64.79 2 0 1000.00 -999 ? >LEU~D 74 30.23 25.01 59.22 30.49 27.15 59.05 30.36 26.08 59.13 3 0 1000.00 -999 ? >LYS~D 75 28.53 20.58 59.73 23.07 21.12 62.77 25.80 20.85 61.25 2 0 1000.00 -999 ? >GLN.D 76 30.23 22.98 55.88 29.02 24.34 54.75 29.63 23.66 55.32 2 0 1000.00 -999 ? >GLY~D 77 34.31 20.69 55.49 33.78 21.31 55.42 34.05 21.00 55.45 1 0 1000.00 -999 ? >THR~D 78 36.27 23.91 55.85 37.87 23.61 57.29 37.07 23.76 56.57 2 0 1000.00 -999 ? >HIS~D 79 36.91 20.63 51.63 35.60 18.99 51.67 36.26 19.81 51.65 3 0 1000.00 -999 ? >GLU~D 80 32.56 21.23 51.97 30.78 20.26 51.45 31.67 20.74 51.71 2 0 1000.00 -999 ? >ILE~D 81 32.82 27.45 53.76 32.97 26.66 55.15 32.89 27.06 54.46 3 0 1000.00 -999 ? >THR~D 82 36.24 28.36 50.53 38.19 27.40 50.22 37.22 27.88 50.38 2 0 1000.00 -999 ? >SER~D 83 34.42 29.32 47.31 32.88 27.49 46.83 33.65 28.41 47.07 2 0 1000.00 -999 ? >ALA~D 84 31.58 31.05 49.21 30.60 30.34 50.16 31.09 30.69 49.68 2 0 1000.00 -999 ? >VAL~D 85 33.85 33.50 51.08 34.50 32.23 52.70 34.18 32.87 51.89 3 0 1000.00 -999 ? >GLN~D 86 36.85 32.63 46.97 38.85 32.79 47.73 37.85 32.71 47.35 2 0 1000.00 -999 ? >PRO.D 87 37.94 38.62 47.67 35.87 37.80 47.60 36.91 38.21 47.63 3 0 1000.00 -999 ? >GLY.D 88 32.46 39.07 45.34 32.42 38.56 45.99 32.44 38.81 45.67 1 0 1000.00 -999 ? >GLN.D 89 32.14 34.22 45.67 30.92 33.58 44.05 31.53 33.90 44.86 2 0 1000.00 -999 ? >SER.D 90 27.67 35.73 48.87 27.28 33.39 48.70 27.47 34.56 48.78 2 0 1000.00 -999 ? >LEU.D 91 29.27 33.51 52.56 27.46 32.77 53.49 28.36 33.14 53.03 3 0 1000.00 -999 ? >TYR.D 92 33.69 39.15 50.84 36.01 40.65 51.03 34.85 39.90 50.94 3 0 1000.00 -999 ? >GLY~D 93 32.91 38.31 55.43 32.77 37.56 55.28 32.84 37.94 55.35 1 0 1000.00 -999 ? >LEU~D 94 31.63 33.67 56.39 30.28 32.11 57.17 30.96 32.89 56.78 3 0 1000.00 -999 ? >GLN~D 95 36.75 36.24 55.91 35.80 35.96 54.03 36.28 36.10 54.97 2 0 1000.00 -999 ? >LEU~D 96 35.39 38.99 59.70 36.53 39.86 58.13 35.96 39.43 58.92 3 0 1000.00 -999 ? >THR~D 97 32.77 36.28 62.26 31.17 35.46 60.96 31.97 35.87 61.61 2 0 1000.00 -999 ? >ASN~D 98 32.59 32.86 65.07 30.51 32.62 64.63 31.55 32.74 64.85 2 0 1000.00 -999 ? >GLN~D 99 35.84 36.63 69.04 33.72 36.83 68.96 34.78 36.73 69.00 2 0 1000.00 -999 ? >GLN~D 100 38.97 36.78 62.78 38.72 38.21 64.38 38.84 37.49 63.58 2 0 1000.00 -999 ? >ARG~D 101 36.02 30.15 67.97 36.29 27.46 69.45 36.15 28.81 68.71 2 0 1000.00 -999 ? >ILE.D 102 34.28 30.60 60.69 32.86 30.20 60.01 33.57 30.40 60.35 3 0 1000.00 -999 ? >ILE.D 103 39.56 27.75 59.65 40.92 28.35 59.90 40.24 28.05 59.78 3 0 1000.00 -999 ? >ILE.D 104 37.66 30.37 54.78 37.77 31.86 54.89 37.72 31.11 54.83 3 0 1000.00 -999 ? >PHE.D 105 42.69 27.62 55.02 43.93 28.56 57.36 43.31 28.09 56.19 3 0 1000.00 -999 ? >GLY.D 106 40.77 22.79 53.85 41.30 23.27 54.28 41.03 23.03 54.06 1 0 1000.00 -999 ? >GLY.D 107 41.86 20.67 56.81 41.01 20.73 56.79 41.44 20.70 56.80 1 0 1000.00 -999 ? >GLY^D 108 38.66 20.40 58.90 38.58 20.13 58.10 38.62 20.26 58.50 1 0 1000.00 -999 ? >LEU^D 109 36.71 16.33 57.88 37.21 16.08 55.79 36.96 16.20 56.83 3 0 1000.00 -999 ? >PRO^D 110 31.73 17.24 58.57 33.44 16.79 59.96 32.59 17.02 59.27 3 0 1000.00 -999 ? >VAL^D 111 32.69 13.06 61.92 33.75 12.04 63.48 33.22 12.55 62.70 3 0 1000.00 -999 ? >ILE^D 112 29.01 12.23 59.05 28.39 13.17 58.18 28.70 12.70 58.62 3 0 1000.00 -999 ? >PHE^D 113 28.64 6.93 64.14 27.98 4.46 65.20 28.31 5.70 64.67 3 0 1000.00 -999 ? >ASN.D 114 23.96 7.53 63.49 24.33 5.55 64.12 24.14 6.54 63.81 2 0 1000.00 -999 ? >GLU.D 115 22.51 9.19 58.15 20.78 8.99 56.97 21.64 9.09 57.56 2 0 1000.00 -999 ? >GLN^D 116 24.01 13.66 65.05 24.07 13.01 67.08 24.04 13.34 66.06 2 0 1000.00 -999 ? >VAL^D 117 27.62 15.24 62.96 28.56 17.05 62.16 28.09 16.14 62.56 3 0 1000.00 -999 ? >ILE^D 118 28.93 12.23 66.48 29.22 11.01 66.23 29.07 11.62 66.35 3 0 1000.00 -999 ? >GLY^D 119 32.01 15.95 66.30 31.81 15.74 65.53 31.91 15.85 65.91 1 0 1000.00 -999 ? >ALA^D 120 34.95 16.84 64.09 34.57 18.20 63.52 34.76 17.52 63.81 2 0 1000.00 -999 ? >VAL^D 121 38.64 16.74 63.35 38.93 14.64 62.77 38.79 15.69 63.06 3 0 1000.00 -999 ? >GLY^D 122 41.19 19.26 62.10 41.57 18.57 62.47 41.38 18.91 62.28 1 0 1000.00 -999 ? >VAL^D 123 44.74 18.91 60.84 45.71 17.11 60.05 45.23 18.01 60.45 3 0 1000.00 -999 ? >SER^D 124 47.16 21.78 60.22 47.35 24.17 60.07 47.26 22.97 60.14 2 0 1000.00 -999 ? >GLY.D 125 50.89 21.92 59.42 50.49 21.84 58.72 50.69 21.88 59.07 1 0 1000.00 -999 ? >GLY.D 126 51.24 21.01 55.75 50.79 21.69 55.85 51.01 21.35 55.80 1 0 1000.00 -999 ? >THR~D 127 49.73 22.03 52.49 50.47 20.81 50.85 50.10 21.42 51.67 2 0 1000.00 -999 ? >VAL~D 128 45.94 22.30 52.42 44.51 23.92 52.07 45.22 23.11 52.25 3 0 1000.00 -999 ? >GLU~D 129 46.39 19.91 47.82 46.87 22.00 48.04 46.63 20.96 47.93 2 0 1000.00 -999 ? >GLN~D 130 50.47 17.25 52.22 52.44 17.45 52.96 51.46 17.35 52.59 2 0 1000.00 -999 ? >ASP~D 131 45.63 20.16 55.95 47.31 21.22 56.71 46.47 20.69 56.33 2 0 1000.00 -999 ? >GLN~D 132 40.67 17.35 52.53 39.55 18.38 51.04 40.11 17.87 51.79 2 0 1000.00 -999 ? >LEU~D 133 45.73 13.87 52.67 46.82 12.11 52.08 46.27 12.99 52.38 3 0 1000.00 -999 ? >LEU~D 134 46.39 14.30 57.69 48.52 13.81 57.60 47.45 14.06 57.65 3 0 1000.00 -999 ? >ALA~D 135 41.88 14.43 58.29 41.30 15.87 58.18 41.59 15.15 58.24 2 0 1000.00 -999 ? >GLN~D 136 38.94 11.32 53.70 36.96 11.48 54.50 37.95 11.40 54.10 2 0 1000.00 -999 ? >CYH~D 137 42.63 9.62 56.97 45.26 8.91 57.69 43.94 9.26 57.33 2 0 1000.00 -999 ? >ALA~D 138 41.37 10.06 60.57 41.54 11.31 61.43 41.46 10.69 61.00 2 0 1000.00 -999 ? >LEU~D 139 36.97 10.43 58.56 36.03 12.34 59.01 36.50 11.38 58.78 3 0 1000.00 -999 ? >ASP~D 140 39.60 6.30 56.66 38.75 7.36 55.00 39.18 6.83 55.83 2 0 1000.00 -999 ? >CYH~D 141 40.36 5.31 61.18 41.86 5.19 63.51 41.11 5.25 62.35 2 0 1000.00 -999 ? >PHE~D 142 35.09 7.22 63.94 32.76 7.16 65.50 33.93 7.19 64.72 3 0 1000.00 -999 ? >SER~D 143 34.73 4.09 60.56 35.21 4.72 58.28 34.97 4.41 59.42 2 0 1000.00 -999 ? >ALA~D 144 37.08 1.10 60.69 38.48 1.09 60.10 37.78 1.10 60.39 2 0 1000.00 -999 ? >LEU~D 145 37.12 2.14 65.51 39.00 2.83 66.41 38.06 2.49 65.96 3 0 1000.00 -999 ? >GLU.D 146 34.71 -3.36 65.45 32.90 -3.30 64.31 33.81 -3.33 64.88 2 0 1000.00 -999 ?