REMARK SOURCE hebe.pdb HEADER DNA BINDING PROTEIN 28-OCT-08 3F1Z COMPND PUTATIVE NUCLEIC ACID-BINDING LIPOPROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I, J; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIAE MGH SOURCE 3 78578; SOURCE 4 ORGANISM_TAXID: 272620; SOURCE 5 GENE: KPN78578_35060, KPN_03535, YP_001337197.1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 45 8 HET MSE A 98 8 HET MSE B 45 8 HET MSE B 98 8 HET MSE C 45 8 HET MSE C 98 8 HET MSE D 45 8 HET MSE D 98 8 HET MSE E 45 8 HET MSE E 98 8 HET MSE F 45 8 HET MSE F 98 8 HET MSE G 45 8 HET MSE G 98 8 HET MSE H 45 8 HET MSE H 98 8 HET MSE I 45 8 HET MSE I 98 8 HET MSE J 45 8 HET MSE J 98 8 HET PEG F 1 7 HET PEG J 2 7 SITE 1 AC1 1 LYS F 71 SITE 1 AC2 1 GLN J 46 >GLN.A 36 20.34 78.65 38.10 20.47 79.28 40.14 20.40 78.97 39.12 2 0 28.66 -999 ? O1 PEG F 1 >PRO.A 37 17.49 77.05 34.62 19.07 78.64 34.50 18.28 77.85 34.56 3 0 34.23 -999 ? O1 PEG F 1 >GLY~A 38 18.58 82.90 33.86 17.93 82.40 33.66 18.25 82.65 33.76 1 0 32.82 -999 ? O1 PEG F 1 >ASP~A 39 15.51 86.65 34.40 15.88 87.04 36.47 15.70 86.84 35.44 2 0 32.03 -999 ? O1 PEG F 1 >ASP~A 40 14.66 85.75 29.23 16.71 85.45 28.76 15.69 85.60 29.00 2 0 37.24 -999 ? O1 PEG F 1 >ALA~A 41 14.71 81.14 30.38 16.01 80.38 30.61 15.36 80.76 30.50 2 0 37.50 -999 ? O1 PEG F 1 >VAL~A 42 12.70 80.97 33.63 13.11 81.35 35.74 12.91 81.16 34.68 3 0 36.66 -999 ? O1 PEG F 1 >ALA~A 43 9.81 83.11 32.34 9.87 84.55 31.89 9.84 83.83 32.12 2 0 39.88 -999 ? O1 PEG F 1 >SER~A 44 9.75 80.77 29.33 11.29 79.36 28.07 10.52 80.07 28.70 2 0 40.53 -999 ? O1 PEG J 2 >MET?A 45 9.15 77.56 31.40 12.58 76.97 34.01 10.86 77.26 32.70 2 0 38.71 -999 ? O1 PEG F 1 >GLN.A 46 6.02 73.38 31.86 5.66 71.54 30.69 5.84 72.46 31.28 2 0 40.87 -999 ? O1 PEG J 2 >THR^A 47 4.66 76.21 35.80 4.23 77.88 37.04 4.45 77.05 36.42 2 0 43.15 -999 ? O1 PEG F 1 >TYR^A 48 5.45 71.03 36.60 6.85 69.61 34.63 6.15 70.32 35.62 3 0 40.85 -999 ? O1 PEG J 2 >SER^A 49 1.53 72.46 40.38 -0.13 70.87 40.01 0.70 71.67 40.20 2 0 47.76 -999 ? O1 PEG J 2 >VAL~A 50 2.98 70.15 43.03 3.59 70.32 45.11 3.29 70.24 44.07 3 0 44.29 -999 ? O1 PEG F 1 >ALA~A 51 0.38 67.50 42.03 -1.14 67.64 42.01 -0.38 67.57 42.02 2 0 48.15 -999 ? O1 PEG J 2 >GLN~A 52 -0.22 69.22 37.19 -0.66 71.13 36.29 -0.44 70.18 36.74 2 0 47.31 -999 ? O1 PEG J 2 >PHE~A 53 7.40 67.96 39.73 9.96 67.05 39.94 8.68 67.50 39.83 3 0 38.85 -999 ? O1 PEG J 2 >LEU~A 54 4.29 64.66 42.90 5.75 65.36 44.37 5.02 65.01 43.64 3 0 42.63 -999 ? O1 PEG J 2 >GLN~A 55 0.32 62.12 37.53 -0.89 60.85 38.81 -0.29 61.48 38.17 2 0 45.13 -999 ? O1 PEG J 2 >PRO~A 56 5.27 62.65 36.23 4.40 61.15 37.62 4.84 61.90 36.92 3 0 39.47 -999 ? O1 PEG J 2 >PHE~A 57 8.55 61.63 40.84 10.65 62.94 39.56 9.60 62.29 40.20 3 0 36.46 -999 ? O1 PEG J 2 >THR~A 58 3.50 58.49 42.05 1.75 59.52 42.91 2.63 59.00 42.48 2 0 43.91 -999 ? O1 PEG J 2 >LEU~A 59 3.01 56.46 37.68 0.97 57.04 37.03 1.99 56.75 37.36 3 0 41.36 -999 ? O1 PEG J 2 >ASN~A 60 7.07 54.21 37.74 8.72 52.88 37.72 7.90 53.54 37.73 2 0 34.87 -999 ? O1 PEG J 2 >PRO~A 61 8.86 56.14 42.70 9.18 56.61 40.54 9.02 56.38 41.62 3 0 36.43 -999 ? O1 PEG J 2 >ALA~A 62 12.48 55.03 39.12 12.63 53.52 39.11 12.55 54.28 39.11 2 0 31.86 -999 ? O1 PEG J 2 >LYS~A 63 11.08 55.89 35.64 8.02 56.56 31.31 9.55 56.22 33.47 2 0 34.06 -999 ? O1 PEG J 2 >ALA~A 64 10.28 59.51 36.56 9.26 59.97 37.60 9.77 59.74 37.08 2 0 35.19 -999 ? O1 PEG J 2 >SER~A 65 13.65 60.09 38.12 15.55 59.68 39.49 14.60 59.89 38.80 2 0 30.36 -999 ? O1 PEG J 2 >SER~A 66 15.28 58.81 35.00 15.92 57.18 33.44 15.60 57.99 34.22 2 0 27.10 -999 ? O1 PEG J 2 >ASP~A 67 11.58 60.78 32.40 10.97 58.94 31.52 11.28 59.86 31.96 2 0 31.65 -999 ? O1 PEG J 2 >TYR~A 68 11.44 64.93 35.51 8.89 65.84 34.87 10.17 65.39 35.19 3 0 35.21 -999 ? O1 PEG J 2 >LEU~A 69 18.23 62.23 35.26 20.01 61.73 36.50 19.12 61.98 35.88 3 0 26.46 -999 ? O1 PEG J 2 >GLY.A 70 19.31 66.80 35.07 18.51 66.79 35.11 18.91 66.80 35.09 1 0 28.15 -999 ? O1 PEG J 2 >LYS.A 71 16.19 68.80 34.10 15.91 65.94 29.92 16.05 67.37 32.01 2 0 29.21 -999 ? O1 PEG J 2 >TRP^A 72 17.91 72.95 34.44 19.27 74.34 37.87 18.59 73.64 36.16 3 0 33.07 -999 ? O1 PEG J 2 >VAL^A 73 11.30 72.36 36.73 10.92 70.33 37.41 11.11 71.35 37.07 3 0 37.63 -999 ? O1 PEG J 2 >LYS^A 74 9.32 75.42 37.91 7.97 80.65 35.03 8.65 78.04 36.47 2 0 40.34 -999 ? O1 PEG F 1 >VAL^A 75 6.83 74.36 40.63 6.97 72.28 41.39 6.90 73.32 41.01 3 0 40.99 -999 ? O1 PEG F 1 >ARG^A 76 1.65 79.05 40.96 -1.07 79.73 41.96 0.29 79.39 41.46 2 0 45.18 -999 ? O1 PEG F 1 >GLY^A 77 2.80 75.69 45.79 3.12 76.46 45.84 2.96 76.07 45.81 1 0 41.83 -999 ? O1 PEG F 1 >VAL^A 78 2.36 76.68 49.41 0.48 77.20 50.45 1.42 76.94 49.93 3 0 41.67 -999 ? O1 PEG F 1 >ILE^A 79 6.42 77.83 51.70 7.58 77.21 51.12 7.00 77.52 51.41 3 0 36.11 -999 ? O1 PEG F 1 >VAL^A 80 4.73 74.69 54.76 3.62 73.01 53.95 4.18 73.85 54.36 3 0 39.83 -999 ? O1 PEG F 1 >ASP^A 81 8.43 73.02 56.73 9.85 72.90 58.30 9.14 72.96 57.52 2 0 35.25 -999 ? O1 PEG F 1 >ILE^A 82 11.41 77.82 55.89 11.36 78.99 55.26 11.39 78.41 55.58 3 0 31.30 -999 ? O1 PEG F 1 >ARG^A 83 13.79 71.63 59.42 11.51 71.37 61.44 12.65 71.50 60.43 2 0 34.67 -999 ? O2 PEG F 1 >ARG^A 84 20.63 78.39 59.45 23.16 80.11 59.24 21.89 79.25 59.34 2 0 20.19 -999 ? O2 PEG F 1 >LYS^A 85 20.15 72.57 58.86 17.73 68.55 60.65 18.94 70.56 59.75 2 0 31.27 -999 ? O2 PEG F 1 >SER^A 86 23.65 71.59 59.98 23.88 71.72 62.43 23.77 71.65 61.21 2 0 24.75 -999 ? O2 PEG F 1 >GLY.A 87 25.75 70.38 57.13 26.08 70.42 57.87 25.92 70.40 57.50 1 0 24.46 -999 ? O2 PEG F 1 >ILE.A 88 28.75 66.83 55.95 28.57 65.44 55.65 28.66 66.13 55.80 3 0 26.52 -999 ? O2 PEG F 1 >ALA.A 89 32.24 69.66 56.59 32.79 69.14 55.23 32.51 69.40 55.91 2 0 22.18 -999 ? O2 PEG F 1 >GLY.A 90 31.57 73.18 58.03 31.03 72.80 57.59 31.30 72.99 57.81 1 0 18.74 -999 ? O2 PEG F 1 >SER.A 91 28.50 73.75 55.91 28.01 71.60 54.88 28.25 72.67 55.39 2 0 22.49 -999 ? O2 PEG F 1 >TYR^A 92 24.63 76.93 57.16 24.84 79.53 56.26 24.73 78.23 56.71 3 0 19.99 -999 ? O2 PEG F 1 >TYR^A 93 21.61 71.88 53.96 20.64 69.51 55.14 21.13 70.70 54.55 3 0 27.76 -999 ? O2 PEG F 1 >PHE^A 94 18.51 77.36 54.26 19.93 79.54 55.25 19.22 78.45 54.75 3 0 24.50 -999 ? O1 PEG F 1 >ILE^A 95 14.95 71.25 54.12 15.22 70.14 53.01 15.09 70.70 53.57 3 0 32.55 -999 ? O1 PEG F 1 >VAL^A 96 12.06 74.26 52.01 11.93 76.20 51.11 11.99 75.23 51.56 3 0 32.73 -999 ? O1 PEG F 1 >THR^A 97 8.94 72.06 51.90 8.70 70.40 53.27 8.82 71.23 52.59 2 0 37.80 -999 ? O1 PEG F 1 >MET?A 98 6.00 72.80 49.62 6.15 74.17 45.53 6.07 73.48 47.57 2 0 39.64 -999 ? O1 PEG F 1 >ARG^A 99 -0.40 72.39 51.80 -2.30 74.75 51.35 -1.35 73.57 51.58 2 0 45.66 -999 ? O1 PEG F 1 >ASP.A 100 -0.85 70.42 45.99 -1.79 70.90 44.16 -1.32 70.66 45.07 2 0 48.24 -999 ? O1 PEG F 1 >GLU.A 101 -2.34 77.20 45.47 -3.11 77.96 43.75 -2.72 77.58 44.61 2 0 46.96 -999 ? O1 PEG F 1 >GLN.A 102 -5.71 74.54 43.84 -6.81 74.38 41.95 -6.26 74.46 42.89 2 0 51.95 -999 ? O1 PEG F 1 >ASN.A 103 -5.25 70.16 49.41 -4.43 71.32 51.03 -4.84 70.74 50.22 2 0 48.99 -999 ? O1 PEG F 1 >THR.A 105 -2.15 65.67 46.46 -0.05 65.33 45.97 -1.10 65.50 46.22 2 0 48.07 -999 ? O1 PEG J 2 >ASP.A 106 -1.83 64.34 51.12 -2.07 62.28 50.53 -1.95 63.31 50.82 2 0 51.20 -999 ? O1 PEG J 2 >LYS.A 107 2.51 64.61 49.12 2.79 59.12 45.83 2.65 61.86 47.48 2 0 44.21 -999 ? O1 PEG J 2 >ARG.A 108 3.54 67.58 52.90 4.04 68.79 55.69 3.79 68.18 54.30 2 0 42.38 -999 ? O1 PEG F 1 >LEU^A 109 7.57 69.22 46.28 8.74 69.30 44.48 8.15 69.26 45.38 3 0 40.51 -999 ? O1 PEG F 1 >THR^A 110 11.18 69.61 49.19 11.69 67.92 50.41 11.43 68.77 49.80 2 0 37.37 -999 ? O1 PEG F 1 >PHE^A 111 12.34 73.26 46.55 10.17 73.41 44.91 11.25 73.33 45.73 3 0 35.79 -999 ? O1 PEG F 1 >ASN^A 112 18.33 70.65 48.96 20.03 70.51 50.19 19.18 70.58 49.58 2 0 29.75 -999 ? C2 PEG F 1 >PHE^A 113 17.09 76.99 48.83 14.80 77.82 47.45 15.94 77.40 48.14 3 0 29.21 -999 ? O1 PEG F 1 >GLY^A 114 22.85 75.74 49.75 22.23 76.33 49.82 22.54 76.03 49.78 1 0 24.42 -999 ? O1 PEG F 1 >SER.A 115 24.20 78.39 52.09 26.60 77.76 52.36 25.40 78.08 52.23 2 0 19.76 -999 ? O1 PEG F 1 >HIS.A 116 25.28 79.22 47.18 24.38 77.82 45.90 24.83 78.52 46.54 3 0 22.63 -999 ? O1 PEG F 1 >ASN~A 117 20.63 80.21 47.48 19.25 81.24 46.19 19.94 80.73 46.84 2 0 25.53 -999 ? O1 PEG F 1 >SER~A 118 20.17 82.20 51.97 21.84 83.44 53.23 21.01 82.82 52.60 2 0 20.08 -999 ? O1 PEG F 1 >ALA~A 119 18.73 85.45 50.54 19.35 86.36 49.51 19.04 85.91 50.02 2 0 22.44 -999 ? O1 PEG F 1 >ASP~A 120 16.28 82.45 47.53 16.57 83.21 45.58 16.43 82.83 46.55 2 0 27.30 -999 ? O1 PEG F 1 >VAL~A 121 15.28 81.33 51.63 16.12 79.48 52.43 15.70 80.41 52.03 3 0 27.03 -999 ? O1 PEG F 1 >GLU~A 122 17.00 84.38 55.24 18.65 85.40 56.07 17.82 84.89 55.65 2 0 21.97 -999 ? O1 PEG F 1 >ALA.A 123 12.31 85.93 51.58 12.71 86.47 50.17 12.51 86.20 50.87 2 0 28.40 -999 ? O1 PEG F 1 >LEU.A 124 10.33 81.54 51.50 10.65 80.57 49.63 10.49 81.06 50.57 3 0 31.79 -999 ? O1 PEG F 1 >SER.A 125 7.20 82.58 54.27 5.68 83.94 55.47 6.44 83.26 54.87 2 0 34.91 -999 ? O1 PEG F 1 >ASN.A 126 5.57 78.91 57.11 7.39 77.79 57.36 6.48 78.35 57.23 2 0 35.14 -999 ? O1 PEG F 1 >GLY.A 127 1.77 79.66 54.57 2.37 79.89 54.05 2.07 79.78 54.31 1 0 39.86 -999 ? O1 PEG F 1 >SER.A 128 2.64 81.75 51.45 3.29 83.86 52.45 2.97 82.81 51.95 2 0 37.53 -999 ? O1 PEG F 1 >VAL^A 129 2.38 80.60 47.88 0.69 80.41 46.46 1.54 80.51 47.17 3 0 41.03 -999 ? O1 PEG F 1 >ALA^A 130 5.73 80.55 46.08 6.92 80.37 46.99 6.33 80.46 46.54 2 0 36.18 -999 ? O1 PEG F 1 >THR^A 131 7.21 79.43 42.78 6.23 79.88 40.91 6.72 79.65 41.84 2 0 39.12 -999 ? O1 PEG F 1 >ILE^A 132 10.91 77.15 44.08 11.52 77.16 45.45 11.22 77.16 44.77 3 0 34.36 -999 ? O1 PEG F 1 >VAL^A 133 12.79 76.52 39.92 13.37 77.34 38.02 13.08 76.93 38.97 3 0 35.57 -999 ? O1 PEG F 1 >GLY^A 134 14.91 73.52 40.85 14.60 73.42 40.06 14.76 73.47 40.46 1 0 34.90 -999 ? O1 PEG F 1 >GLN^A 135 18.92 70.05 37.93 20.95 70.44 37.41 19.94 70.24 37.67 2 0 29.91 -999 ? O1 PEG J 2 >VAL.A 136 16.15 66.96 39.46 14.37 65.82 38.88 15.26 66.39 39.17 3 0 32.75 -999 ? O1 PEG J 2 >HIS.A 137 20.72 66.63 41.47 21.91 68.33 41.15 21.31 67.48 41.31 3 0 29.86 -999 ? O1 PEG J 2 >GLN.A 138 19.58 58.68 40.84 18.97 58.28 38.80 19.28 58.48 39.82 2 0 26.82 -999 ? O1 PEG J 2 >VAL.A 139 16.07 60.04 43.51 14.03 60.77 43.40 15.05 60.41 43.46 3 0 32.99 -999 ? O1 PEG J 2 >GLN.A 140 19.35 56.92 44.53 21.08 55.66 44.34 20.22 56.29 44.43 2 0 28.04 -999 ? O1 PEG J 2 >ASP.A 141 17.04 56.28 50.15 18.75 55.20 49.64 17.90 55.74 49.90 2 0 33.30 -999 ? C2 PEG J 2 >SER.A 142 12.85 57.96 48.45 12.33 60.23 48.57 12.59 59.10 48.51 2 0 38.06 -999 ? O1 PEG J 2 >THR.A 143 9.87 58.24 46.08 8.34 57.24 47.18 9.11 57.74 46.63 2 0 39.91 -999 ? O1 PEG J 2 >ILE.A 144 8.91 62.79 46.96 7.73 63.37 47.35 8.32 63.08 47.15 3 0 41.06 -999 ? O1 PEG J 2 >PRO.A 145 11.28 64.69 42.83 12.02 63.80 44.72 11.65 64.25 43.77 3 0 36.98 -999 ? O1 PEG J 2 >THR^A 146 14.35 66.86 46.67 15.10 66.91 48.68 14.73 66.88 47.67 2 0 35.98 -999 ? O1 PEG F 1 >LEU^A 147 13.89 70.51 43.53 12.56 69.85 41.92 13.22 70.18 42.73 3 0 37.12 -999 ? O1 PEG F 1 >GLN^A 148 19.39 68.49 44.20 19.56 68.46 46.33 19.47 68.47 45.27 2 0 32.66 -999 ? C2 PEG F 1 >ASN^A 149 21.02 74.05 41.88 22.76 72.88 42.24 21.89 73.47 42.06 2 0 29.50 -999 ? O1 PEG F 1 >PRO^A 150 16.72 74.83 45.51 17.54 75.71 43.63 17.13 75.27 44.57 3 0 30.70 -999 ? O1 PEG F 1 >LYS^A 151 15.98 79.59 42.60 17.34 83.24 37.41 16.66 81.41 40.00 2 0 31.15 -999 ? O1 PEG F 1 >VAL^A 152 12.97 81.42 44.00 12.17 81.84 45.99 12.57 81.63 44.99 3 0 31.46 -999 ? O1 PEG F 1 >VAL^A 153 11.11 83.04 41.09 10.49 82.12 39.23 10.80 82.58 40.16 3 0 34.84 -999 ? O1 PEG F 1 >LYS^A 154 8.24 84.71 42.96 4.64 84.10 38.05 6.44 84.41 40.51 2 0 40.74 -999 ? O1 PEG F 1 >GLN.B 36 23.19 88.61 81.18 23.05 86.98 82.56 23.12 87.79 81.87 2 0 27.76 -999 ? O4 PEG F 1 >PRO.B 37 20.66 91.79 78.92 22.49 92.32 80.15 21.57 92.05 79.53 3 0 26.56 -999 ? O4 PEG F 1 >GLY~B 38 21.77 94.51 83.87 21.17 94.55 83.32 21.47 94.53 83.59 1 0 29.56 -999 ? O4 PEG F 1 >ASP~B 39 18.70 95.50 87.53 19.44 93.84 88.64 19.07 94.67 88.08 2 0 34.55 -999 ? O4 PEG F 1 >ASP~B 40 19.44 99.86 84.43 20.28 100.39 86.31 19.86 100.12 85.37 2 0 33.53 -999 ? O4 PEG F 1 >ALA~B 41 18.29 97.76 80.88 19.53 97.30 80.09 18.91 97.53 80.49 2 0 29.22 -999 ? O4 PEG F 1 >VAL~B 42 16.15 94.68 81.67 16.41 92.71 82.61 16.28 93.70 82.14 3 0 32.44 -999 ? O4 PEG F 1 >ALA~B 43 13.49 96.84 83.35 13.75 97.73 84.57 13.62 97.29 83.96 2 0 36.47 -999 ? O4 PEG F 1 >SER~B 44 13.17 99.16 80.31 15.31 99.65 79.38 14.24 99.40 79.85 2 0 32.77 -999 ? O4 PEG F 1 >MET?B 45 13.10 96.21 77.93 16.11 93.12 78.04 14.60 94.66 77.99 2 0 30.27 -999 ? O4 PEG F 1 >THR^B 47 8.08 92.04 77.58 7.40 91.55 79.57 7.74 91.80 78.58 2 0 38.52 -999 ? C4 PEG F 1 >TYR^B 48 8.87 89.61 72.92 10.46 90.76 70.87 9.67 90.19 71.89 3 0 33.33 -999 ? O1 PEG F 1 >SER^B 49 4.63 86.79 75.25 2.97 86.87 73.58 3.80 86.83 74.42 2 0 40.38 -999 ? O1 PEG F 1 >VAL~B 50 5.69 83.44 73.74 6.11 81.43 74.60 5.90 82.44 74.17 3 0 38.60 -999 ? C4 PEG F 1 >ALA~B 51 3.27 83.72 70.83 1.75 83.81 70.89 2.51 83.77 70.86 2 0 40.99 -999 ? O1 PEG F 1 >GLN~B 52 3.08 88.93 71.07 2.89 90.47 72.56 2.99 89.70 71.81 2 0 39.78 -999 ? O1 PEG F 1 >PHE~B 53 10.50 85.44 71.13 13.07 84.74 70.49 11.78 85.09 70.81 3 0 31.56 -999 ? C4 PEG F 1 >LEU~B 54 7.11 81.66 68.76 8.46 80.41 69.95 7.79 81.04 69.35 3 0 35.66 -999 ? O1 PEG F 1 >GLN~B 55 4.30 86.36 64.03 2.53 87.61 63.80 3.42 86.99 63.91 2 0 37.89 -999 ? O1 PEG F 1 >PRO~B 56 8.92 87.24 64.83 8.03 85.43 63.80 8.47 86.33 64.32 3 0 32.39 -999 ? O1 PEG F 1 >PHE~B 57 11.76 82.14 65.54 13.94 83.63 66.38 12.85 82.88 65.96 3 0 29.48 -999 ? O1 PEG F 1 >THR~B 58 6.74 80.41 62.75 4.90 80.10 63.83 5.82 80.25 63.29 2 0 37.20 -999 ? O1 PEG F 1 >LEU~B 59 6.67 83.96 59.52 4.55 84.77 59.74 5.61 84.37 59.63 3 0 34.90 -999 ? O1 PEG F 1 >ASN~B 60 10.84 82.87 57.50 12.50 82.29 56.30 11.67 82.58 56.90 2 0 28.77 -999 ? O1 PEG F 1 >PRO~B 61 12.33 78.47 60.61 12.50 80.69 60.71 12.41 79.58 60.66 3 0 29.99 -999 ? O1 PEG F 1 >ALA~B 62 15.90 81.34 58.83 16.04 80.88 57.39 15.97 81.11 58.11 2 0 25.98 -999 ? O1 PEG F 1 >LYS~B 63 14.96 85.01 58.57 12.44 89.93 58.31 13.70 87.47 58.44 2 0 27.29 -999 ? O1 PEG F 1 >ALA~B 64 14.00 85.34 62.22 12.84 84.62 62.95 13.42 84.98 62.58 2 0 28.28 -999 ? O1 PEG F 1 >SER~B 65 17.19 83.72 63.40 18.95 82.16 63.75 18.07 82.94 63.58 2 0 23.66 -999 ? O1 PEG F 1 >SER~B 66 19.13 86.06 61.25 19.80 87.14 59.28 19.47 86.60 60.27 2 0 20.46 -999 ? O1 PEG F 1 >ASP~B 67 15.70 89.41 62.16 15.08 89.83 60.19 15.39 89.62 61.17 2 0 24.80 -999 ? O1 PEG F 1 >TYR~B 68 15.14 88.01 67.01 12.64 89.22 67.62 13.89 88.62 67.32 3 0 27.77 -999 ? O1 PEG F 1 >LEU~B 69 21.89 86.55 64.83 23.32 84.95 64.82 22.61 85.75 64.83 3 0 19.52 -999 ? O1 PEG F 1 >GLY.B 70 22.87 87.86 69.25 22.10 88.02 69.14 22.48 87.94 69.20 1 0 20.30 -999 ? C4 PEG F 1 >LYS.B 71 19.95 90.06 70.39 19.70 94.15 66.38 19.83 92.11 68.39 2 0 22.01 -999 ? O1 PEG F 1 >TRP^B 72 21.50 90.91 74.63 22.31 87.97 77.09 21.90 89.44 75.86 3 0 24.14 -999 ? O4 PEG F 1 >VAL^B 73 14.66 89.35 74.49 14.25 88.04 72.79 14.46 88.70 73.64 3 0 29.63 -999 ? C4 PEG F 1 >LYS^B 74 12.48 89.27 77.57 10.98 93.71 81.51 11.73 91.49 79.54 2 0 36.48 -999 ? O4 PEG F 1 >VAL^B 75 9.79 86.67 77.41 9.81 85.34 75.75 9.80 86.01 76.58 3 0 35.33 -999 ? C4 PEG F 1 >ARG^B 76 4.29 87.97 81.85 2.25 88.37 84.15 3.27 88.17 83.00 2 0 45.29 -999 ? C4 PEG F 1 >GLY^B 77 5.11 82.66 80.01 5.45 82.77 80.74 5.28 82.71 80.38 1 0 41.53 -999 ? C4 PEG F 1 >VAL^B 78 4.13 79.55 82.00 2.08 79.02 82.51 3.10 79.29 82.25 3 0 45.03 -999 ? C4 PEG F 1 >ILE^B 79 7.93 77.32 84.03 9.11 77.61 83.34 8.52 77.47 83.68 3 0 41.78 -999 ? O4 PEG F 1 >VAL^B 80 5.91 73.68 81.84 5.12 73.93 79.82 5.52 73.80 80.83 3 0 44.12 -999 ? C4 PEG F 1 >ASP^B 81 9.35 70.87 81.22 10.57 69.22 81.69 9.96 70.05 81.46 2 0 42.65 -999 ? C4 PEG F 1 >ILE^B 82 12.30 72.76 85.76 12.28 73.74 86.66 12.29 73.25 86.21 3 0 41.82 -999 ? O4 PEG F 1 >ARG^B 83 14.44 67.36 80.89 11.94 65.55 81.25 13.19 66.45 81.07 2 0 43.40 -999 ? O2 PEG F 1 >ARG^B 84 21.16 68.64 87.88 23.68 69.11 89.55 22.42 68.87 88.71 2 0 39.09 -999 ? O4 PEG F 1 >LYS^B 85 20.71 67.41 82.00 17.73 64.62 78.36 19.22 66.01 80.18 2 0 38.80 -999 ? O2 PEG F 1 >SER^B 86 24.15 65.74 81.64 24.25 63.55 82.56 24.20 64.65 82.10 2 0 38.14 -999 ? O4 PEG F 1 >GLY.B 87 26.60 67.81 79.65 26.87 67.07 79.93 26.74 67.44 79.79 1 0 32.49 -999 ? O4 PEG F 1 >ILE.B 88 29.85 67.59 76.10 29.80 67.53 74.67 29.82 67.56 75.38 3 0 29.09 -999 ? O2 PEG F 1 >ALA.B 89 33.10 67.32 79.08 33.84 68.39 78.22 33.47 67.85 78.65 2 0 28.46 -999 ? O4 PEG F 1 >GLY.B 90 32.30 67.08 82.84 31.83 67.45 82.36 32.06 67.27 82.60 1 0 32.59 -999 ? O4 PEG F 1 >SER.B 91 29.49 69.62 82.79 29.06 70.15 80.46 29.28 69.89 81.63 2 0 30.17 -999 ? O4 PEG F 1 >TYR^B 92 25.45 70.01 86.00 25.76 71.69 88.23 25.60 70.85 87.11 3 0 35.55 -999 ? O4 PEG F 1 >TYR^B 93 22.81 71.74 79.95 21.79 69.95 78.08 22.30 70.85 79.01 3 0 32.49 -999 ? O4 PEG F 1 >PHE^B 94 19.69 73.44 85.14 21.06 73.07 87.57 20.37 73.26 86.35 3 0 36.57 -999 ? O4 PEG F 1 >ILE^B 95 16.18 71.98 79.11 16.60 72.63 77.79 16.39 72.30 78.45 3 0 35.36 -999 ? C4 PEG F 1 >VAL^B 96 13.47 75.15 81.01 13.49 76.59 82.59 13.48 75.87 81.80 3 0 37.51 -999 ? O4 PEG F 1 >THR^B 97 10.44 75.06 78.74 10.08 73.28 77.63 10.26 74.17 78.19 2 0 39.30 -999 ? C4 PEG F 1 >MET?B 98 7.78 77.74 78.62 8.51 82.00 78.70 8.15 79.87 78.66 2 0 38.12 -999 ? C4 PEG F 1 >ARG^B 99 1.20 76.26 78.45 -0.73 77.60 80.48 0.23 76.93 79.46 2 0 48.03 -999 ? C4 PEG F 1 >ASP.B 100 1.56 81.14 74.66 0.89 83.14 74.40 1.22 82.14 74.53 2 0 43.18 -999 ? O1 PEG F 1 >GLU.B 101 0.05 83.86 81.02 0.48 85.72 81.99 0.26 84.79 81.51 2 0 46.04 -999 ? C4 PEG F 1 >GLN.B 102 -3.30 84.89 77.33 -4.32 86.58 76.44 -3.81 85.73 76.89 2 0 48.18 -999 ? O1 PEG F 1 >ASN.B 103 -3.31 78.22 75.30 -2.68 76.78 76.75 -2.99 77.50 76.03 2 0 48.68 -999 ? C4 PEG F 1 >THR.B 105 0.44 79.29 70.22 2.64 79.50 70.07 1.54 79.39 70.15 2 0 40.98 -999 ? O1 PEG F 1 >ASP.B 106 0.15 74.44 70.47 0.09 74.29 68.35 0.12 74.36 69.41 2 0 44.59 -999 ? O2 PEG F 1 >LYS.B 107 4.78 75.92 70.37 5.19 77.08 64.17 4.99 76.50 67.27 2 0 38.05 -999 ? O1 PEG F 1 >ARG.B 108 5.05 73.22 74.49 4.74 71.02 76.66 4.89 72.12 75.57 2 0 44.16 -999 ? O2 PEG F 1 >LEU^B 109 9.84 79.67 74.37 11.29 81.24 73.98 10.56 80.45 74.18 3 0 34.89 -999 ? C4 PEG F 1 >THR^B 110 13.06 76.65 75.69 13.38 74.80 74.59 13.22 75.72 75.14 2 0 34.72 -999 ? O2 PEG F 1 >PHE^B 111 14.53 80.06 78.53 12.65 82.05 77.96 13.59 81.06 78.25 3 0 33.86 -999 ? C4 PEG F 1 >ASN^B 112 20.25 76.35 77.07 21.82 74.98 77.46 21.04 75.66 77.27 2 0 29.65 -999 ? O4 PEG F 1 >PHE^B 113 18.92 78.57 82.96 16.72 80.30 83.06 17.82 79.44 83.01 3 0 33.62 -999 ? O4 PEG F 1 >GLY^B 114 24.49 76.75 82.49 23.87 76.91 83.03 24.18 76.83 82.76 1 0 29.96 -999 ? O4 PEG F 1 >SER.B 115 25.50 75.22 85.80 27.84 74.52 85.49 26.67 74.87 85.64 2 0 31.39 -999 ? O4 PEG F 1 >HIS.B 116 27.17 80.00 84.92 26.45 80.79 83.10 26.81 80.39 84.01 3 0 28.18 -999 ? O4 PEG F 1 >ASN~B 117 22.52 80.69 85.86 21.10 82.26 86.36 21.81 81.48 86.11 2 0 32.74 -999 ? O4 PEG F 1 >SER~B 118 21.36 77.01 88.95 22.85 76.19 90.63 22.11 76.60 89.79 2 0 36.90 -999 ? O4 PEG F 1 >ALA~B 119 20.14 79.41 91.65 20.87 80.58 92.24 20.50 79.99 91.95 2 0 37.75 -999 ? O4 PEG F 1 >ASP~B 120 18.09 81.62 87.69 18.57 83.70 87.82 18.33 82.66 87.76 2 0 35.12 -999 ? O4 PEG F 1 >VAL~B 121 16.56 77.51 87.85 17.30 76.14 86.35 16.93 76.83 87.10 3 0 37.72 -999 ? O4 PEG F 1 >GLU~B 122 17.98 74.99 92.05 19.35 74.42 93.55 18.66 74.71 92.80 2 0 41.66 -999 ? O4 PEG F 1 >ALA~B 123 13.57 79.24 92.12 14.08 80.66 92.31 13.82 79.95 92.21 2 0 41.98 -999 ? O4 PEG F 1 >LEU~B 124 11.90 78.17 87.75 12.32 79.76 86.34 12.11 78.96 87.04 3 0 40.39 -999 ? O4 PEG F 1 >SER.B 125 8.29 76.19 89.27 6.72 75.64 91.06 7.51 75.92 90.16 2 0 47.80 -999 ? O4 PEG F 1 >ASN.B 126 6.40 72.44 86.77 8.25 71.72 86.03 7.32 72.08 86.40 2 0 45.32 -999 ? O4 PEG F 1 >GLY.B 127 2.99 75.53 86.15 3.66 76.00 86.31 3.33 75.77 86.23 1 0 48.09 -999 ? O4 PEG F 1 >SER.B 128 4.09 78.94 87.44 4.26 78.40 89.77 4.18 78.67 88.61 2 0 48.15 -999 ? O4 PEG F 1 >VAL^B 129 4.42 82.16 85.48 2.87 83.65 84.81 3.64 82.90 85.14 3 0 45.22 -999 ? O4 PEG F 1 >ALA^B 130 7.87 83.53 84.90 8.84 82.40 85.04 8.36 82.97 84.97 2 0 40.93 -999 ? O4 PEG F 1 >THR^B 131 9.67 86.25 82.92 8.97 88.32 82.76 9.32 87.29 82.84 2 0 38.82 -999 ? O4 PEG F 1 >ILE^B 132 13.36 83.84 81.34 13.80 82.46 81.77 13.58 83.15 81.56 3 0 35.03 -999 ? O4 PEG F 1 >VAL^B 133 15.66 87.38 79.53 16.41 89.39 79.76 16.04 88.39 79.64 3 0 31.18 -999 ? O4 PEG F 1 >GLY^B 134 17.70 85.33 77.04 17.52 86.08 76.70 17.61 85.71 76.87 1 0 28.83 -999 ? O4 PEG F 1 >GLN^B 135 22.11 86.63 73.11 24.26 86.73 73.31 23.18 86.68 73.21 2 0 21.16 -999 ? O4 PEG F 1 >VAL.B 136 19.10 84.31 70.54 17.43 84.78 69.19 18.27 84.55 69.87 3 0 25.36 -999 ? C4 PEG F 1 >HIS.B 137 23.50 81.86 71.01 24.70 82.54 72.58 24.10 82.20 71.79 3 0 21.85 -999 ? C4 PEG F 1 >GLN.B 138 22.81 79.85 63.37 22.41 81.56 62.16 22.61 80.71 62.76 2 0 20.44 -999 ? O2 PEG F 1 >VAL.B 139 18.82 78.41 65.16 16.81 78.90 65.71 17.82 78.65 65.43 3 0 26.29 -999 ? O2 PEG F 1 >GLN.B 140 21.89 76.09 62.41 23.74 75.60 61.46 22.82 75.84 61.93 2 0 22.20 -999 ? O2 PEG F 1 >ASP.B 141 19.20 70.82 63.59 20.90 70.67 62.38 20.05 70.74 62.99 2 0 27.62 -999 ? O2 PEG F 1 >SER.B 142 15.06 73.28 64.53 16.44 74.31 66.25 15.75 73.80 65.39 2 0 29.63 -999 ? O2 PEG F 1 >THR.B 143 12.52 76.00 63.95 10.85 74.81 63.21 11.68 75.40 63.58 2 0 33.77 -999 ? O2 PEG F 1 >ILE.B 144 11.28 76.60 68.50 10.15 77.50 68.46 10.72 77.05 68.48 3 0 33.99 -999 ? O2 PEG F 1 >PRO.B 145 13.86 80.96 69.28 14.49 78.89 68.92 14.17 79.93 69.10 3 0 30.10 -999 ? O2 PEG F 1 >THR^B 146 16.51 77.72 72.54 17.10 75.81 73.34 16.80 76.76 72.94 2 0 30.79 -999 ? O2 PEG F 1 >LEU^B 147 16.51 81.96 74.85 15.29 83.30 73.61 15.90 82.63 74.23 3 0 29.62 -999 ? C4 PEG F 1 >GLN^B 148 21.99 80.00 73.63 21.70 77.96 74.15 21.85 78.98 73.89 2 0 26.65 -999 ? C4 PEG F 1 >ASN^B 149 23.92 83.68 78.38 25.12 84.41 80.02 24.52 84.04 79.20 2 0 25.06 -999 ? O4 PEG F 1 >PRO^B 150 19.05 81.05 80.15 19.98 83.10 80.14 19.51 82.07 80.14 3 0 29.83 -999 ? O4 PEG F 1 >VAL^B 152 15.20 85.13 85.43 14.24 83.52 86.53 14.72 84.33 85.98 3 0 36.51 -999 ? O4 PEG F 1 >VAL.B 153 13.69 88.56 86.01 13.20 90.13 84.64 13.44 89.34 85.32 3 0 36.53 -999 ? O4 PEG F 1 >LYS.B 154 12.69 88.34 89.68 16.67 83.87 92.00 14.68 86.11 90.84 2 0 39.39 -999 ? O4 PEG F 1 >GLN.C 36 23.33 51.06 104.93 21.30 51.15 104.20 22.32 51.11 104.56 2 0 61.01 -999 ? O4 PEG F 1 >PRO.C 37 19.78 54.73 106.81 21.75 53.97 107.59 20.77 54.35 107.20 3 0 61.31 -999 ? O4 PEG F 1 >GLY~C 38 20.80 51.07 110.72 20.24 51.60 110.48 20.52 51.34 110.60 1 0 65.82 -999 ? O4 PEG F 1 >ASP~C 39 17.34 47.79 111.64 17.99 46.60 109.98 17.67 47.20 110.81 2 0 69.03 -999 ? O4 PEG F 1 >ASP~C 40 17.58 51.67 115.76 16.62 53.02 117.20 17.10 52.35 116.48 2 0 70.99 -999 ? O4 PEG F 1 >ALA~C 41 17.16 54.73 112.59 18.44 55.23 111.96 17.80 54.98 112.27 2 0 65.16 -999 ? O4 PEG F 1 >VAL~C 42 14.95 53.30 109.79 15.25 51.98 108.07 15.10 52.64 108.93 3 0 65.71 -999 ? O4 PEG F 1 >ALA~C 43 12.17 52.02 112.05 12.33 51.04 113.20 12.25 51.53 112.63 2 0 70.80 -999 ? O4 PEG F 1 >SER~C 44 11.95 55.53 113.53 12.81 55.08 115.80 12.38 55.30 114.67 2 0 70.34 -999 ? O4 PEG F 1 >MET?C 45 11.59 57.36 110.19 14.84 56.54 107.39 13.21 56.95 108.79 2 0 62.53 -999 ? O4 PEG F 1 >GLN.C 46 9.04 61.26 107.48 8.30 63.18 106.70 8.67 62.22 107.09 2 0 61.95 -999 ? O4 PEG F 1 >THR^C 47 6.84 57.00 106.07 5.99 55.01 105.92 6.42 56.00 106.00 2 0 66.70 -999 ? O4 PEG F 1 >TYR^C 48 8.07 60.69 102.29 9.77 62.85 102.81 8.92 61.77 102.55 3 0 59.40 -999 ? O4 PEG F 1 >SER^C 49 3.49 57.99 100.36 2.02 59.78 99.92 2.76 58.89 100.14 2 0 62.86 -999 ? O4 PEG F 1 >VAL~C 50 4.74 58.13 96.77 4.97 56.72 95.13 4.86 57.42 95.95 3 0 60.04 -999 ? O4 PEG F 1 >ALA~C 51 2.62 61.20 95.92 1.08 61.32 96.03 1.85 61.26 95.97 2 0 60.51 -999 ? O4 PEG F 1 >GLN~C 52 2.56 62.67 101.00 2.22 61.82 102.92 2.39 62.24 101.96 2 0 63.60 -999 ? O4 PEG F 1 >PHE~C 53 9.80 60.96 97.81 12.45 61.04 97.10 11.13 61.00 97.45 3 0 55.25 -999 ? O4 PEG F 1 >LEU~C 54 6.70 62.12 93.34 7.84 60.43 92.55 7.27 61.28 92.95 3 0 54.76 -999 ? O4 PEG F 1 >GLN~C 55 3.80 68.21 95.78 2.51 68.77 94.11 3.16 68.49 94.94 2 0 55.12 -999 ? O4 PEG F 1 >PRO~C 56 8.93 67.36 97.22 7.97 68.03 95.26 8.45 67.70 96.24 3 0 52.81 -999 ? O4 PEG F 1 >PHE~C 57 11.64 65.04 92.86 13.81 64.42 94.50 12.73 64.73 93.68 3 0 50.00 -999 ? O4 PEG F 1 >THR~C 58 6.88 67.55 90.13 4.91 66.61 90.07 5.89 67.08 90.10 2 0 52.12 -999 ? O4 PEG F 1 >LEU~C 59 7.11 71.89 92.41 5.13 72.34 93.34 6.12 72.12 92.88 3 0 50.52 -999 ? O4 PEG F 1 >ASN~C 60 11.47 73.00 90.93 13.25 73.80 90.07 12.36 73.40 90.50 2 0 43.23 -999 ? O4 PEG F 1 >PRO~C 61 12.48 68.44 87.76 12.69 69.09 89.86 12.59 68.76 88.81 3 0 45.13 -999 ? O4 PEG F 1 >ALA~C 62 16.32 70.62 90.11 16.63 71.80 89.29 16.47 71.21 89.70 2 0 41.41 -999 ? O4 PEG F 1 >LYS~C 63 15.41 72.15 93.47 13.82 74.69 97.93 14.62 73.42 95.70 2 0 47.94 -999 ? O4 PEG F 1 >ALA~C 64 14.07 68.94 94.93 12.86 68.16 94.41 13.46 68.55 94.67 2 0 48.69 -999 ? O4 PEG F 1 >SER~C 65 17.17 67.02 93.82 18.87 66.14 92.35 18.02 66.58 93.09 2 0 44.99 -999 ? O4 PEG F 1 >SER~C 66 19.35 69.58 95.53 20.07 71.78 96.02 19.71 70.68 95.78 2 0 44.20 -999 ? O4 PEG F 1 >ASP~C 67 15.69 70.17 98.86 15.36 72.21 98.54 15.53 71.19 98.70 2 0 48.40 -999 ? O4 PEG F 1 >TYR~C 68 14.71 65.24 99.05 12.23 65.42 100.30 13.47 65.33 99.67 3 0 53.22 -999 ? O4 PEG F 1 >LEU~C 69 21.64 66.18 97.09 23.22 65.62 95.69 22.43 65.90 96.39 3 0 46.24 -999 ? O4 PEG F 1 >GLY.C 70 22.36 62.58 99.98 21.59 62.67 100.01 21.98 62.63 100.00 1 0 50.71 -999 ? O4 PEG F 1 >LYS.C 71 19.31 62.17 102.27 19.22 66.99 104.71 19.27 64.58 103.49 2 0 53.39 -999 ? O4 PEG F 1 >TRP^C 72 20.34 58.33 104.30 21.01 54.99 102.35 20.68 56.66 103.33 3 0 57.19 -999 ? O4 PEG F 1 >VAL^C 73 13.61 58.61 102.58 13.38 59.83 100.77 13.50 59.22 101.68 3 0 57.72 -999 ? O4 PEG F 1 >LYS^C 74 11.21 55.83 103.59 9.74 53.79 109.02 10.48 54.81 106.31 2 0 67.51 -999 ? O4 PEG F 1 >VAL^C 75 8.40 55.44 101.08 8.66 56.60 99.22 8.53 56.02 100.15 3 0 61.13 -999 ? O4 PEG F 1 >ARG^C 76 2.62 52.49 103.73 0.82 50.13 104.52 1.72 51.31 104.13 2 0 71.45 -999 ? O4 PEG F 1 >GLY^C 77 3.48 51.97 98.01 3.76 51.31 98.38 3.62 51.64 98.20 1 0 65.15 -999 ? O4 PEG F 1 >VAL^C 78 2.32 49.11 95.80 0.29 48.38 95.37 1.30 48.75 95.59 3 0 67.18 -999 ? O4 PEG F 1 >ILE^C 79 5.86 46.20 94.47 7.13 46.86 94.53 6.49 46.53 94.50 3 0 65.10 -999 ? O4 PEG F 1 >VAL^C 80 4.07 47.22 90.21 3.52 49.31 89.82 3.79 48.27 90.02 3 0 63.23 -999 ? O2 PEG F 1 >ASP^C 81 7.65 46.78 87.50 8.77 45.75 86.01 8.21 46.26 86.76 2 0 60.30 -999 ? O2 PEG F 1 >ILE^C 82 10.16 42.79 90.85 10.01 42.22 92.02 10.08 42.51 91.44 3 0 64.50 -999 ? O2 PEG F 1 >ARG^C 83 12.58 45.41 84.30 10.25 44.88 82.34 11.41 45.15 83.32 2 0 58.63 -999 ? O2 PEG F 1 >ARG^C 84 18.79 38.84 87.70 21.22 37.21 88.58 20.00 38.02 88.14 2 0 62.77 -999 ? O2 PEG F 1 >LYS^C 85 18.82 44.03 84.74 16.12 46.82 80.71 17.47 45.43 82.73 2 0 53.56 -999 ? O2 PEG F 1 >SER^C 86 22.25 43.41 83.10 21.80 42.02 81.19 22.02 42.71 82.15 2 0 55.38 -999 ? O2 PEG F 1 >GLY.C 87 24.98 45.66 84.43 25.19 45.14 83.83 25.08 45.40 84.13 1 0 52.66 -999 ? O2 PEG F 1 >ILE.C 88 28.58 48.54 83.00 28.75 49.83 82.18 28.66 49.18 82.59 3 0 47.81 -999 ? O2 PEG F 1 >ALA.C 89 31.51 45.35 83.97 32.24 46.42 84.84 31.87 45.88 84.41 2 0 50.46 -999 ? O2 PEG F 1 >GLY.C 90 30.19 41.80 84.76 29.81 42.44 85.00 30.00 42.12 84.88 1 0 54.77 -999 ? O2 PEG F 1 >SER.C 91 27.58 43.01 87.26 27.49 45.39 86.96 27.53 44.20 87.11 2 0 53.42 -999 ? O2 PEG F 1 >TYR^C 92 23.24 40.58 88.57 23.15 39.03 90.90 23.20 39.81 89.74 3 0 60.58 -999 ? O2 PEG F 1 >TYR^C 93 21.15 47.04 88.16 20.29 48.42 85.89 20.72 47.73 87.03 3 0 53.76 -999 ? O2 PEG F 1 >PHE^C 94 17.51 43.02 91.46 18.62 40.47 91.78 18.07 41.75 91.62 3 0 61.73 -999 ? O2 PEG F 1 >ILE^C 95 14.69 48.37 88.08 15.09 49.81 88.23 14.89 49.09 88.16 3 0 55.81 -999 ? O2 PEG F 1 >VAL^C 96 11.81 47.85 91.73 11.59 46.92 93.67 11.70 47.38 92.70 3 0 60.89 -999 ? O4 PEG F 1 >THR^C 97 8.96 50.21 90.71 8.77 50.88 88.67 8.86 50.54 89.69 2 0 58.00 -999 ? O2 PEG F 1 >MET?C 98 6.27 51.47 93.15 7.12 52.79 97.15 6.70 52.13 95.15 2 0 62.08 -999 ? O4 PEG F 1 >ARG^C 99 -0.35 51.52 91.49 -2.40 50.36 93.51 -1.38 50.94 92.50 2 0 67.51 -999 ? O2 PEG F 1 >ASP.C 100 0.54 56.90 94.85 -0.19 57.79 96.62 0.18 57.35 95.74 2 0 63.47 -999 ? O4 PEG F 1 >GLU.C 101 -1.65 52.20 99.52 -0.99 51.74 101.48 -1.32 51.97 100.50 2 0 69.88 -999 ? O4 PEG F 1 >GLN.C 102 -4.66 55.39 99.12 -5.49 56.25 100.92 -5.07 55.82 100.02 2 0 70.13 -999 ? O4 PEG F 1 >ASN.C 103 -4.22 55.97 92.17 -3.79 53.96 91.57 -4.00 54.96 91.87 2 0 65.47 -999 ? O2 PEG F 1 >THR.C 105 -0.17 60.49 91.53 2.02 60.57 91.64 0.93 60.53 91.58 2 0 57.94 -999 ? O4 PEG F 1 >ASP.C 106 -0.32 59.07 86.92 0.54 60.97 86.35 0.11 60.02 86.64 2 0 56.25 -999 ? O2 PEG F 1 >LYS.C 107 4.03 58.77 88.56 5.67 64.71 87.54 4.85 61.74 88.05 2 0 51.23 -999 ? O4 PEG F 1 >ARG.C 108 3.96 54.04 88.26 1.37 52.61 87.42 2.67 53.33 87.84 2 0 60.80 -999 ? O2 PEG F 1 >LEU^C 109 8.89 56.02 93.51 10.41 56.77 94.83 9.65 56.39 94.17 3 0 56.79 -999 ? O4 PEG F 1 >THR^C 110 11.88 53.41 91.18 12.29 53.93 89.14 12.08 53.67 90.16 2 0 54.28 -999 ? O4 PEG F 1 >PHE^C 111 13.11 51.86 95.44 11.20 53.10 97.03 12.16 52.48 96.23 3 0 59.05 -999 ? O4 PEG F 1 >ASN^C 112 18.79 51.36 91.46 20.47 50.42 90.54 19.63 50.89 91.00 2 0 53.59 -999 ? O4 PEG F 1 >PHE^C 113 17.09 46.76 95.62 14.91 47.35 97.23 16.00 47.06 96.42 3 0 61.07 -999 ? O4 PEG F 1 >GLY^C 114 22.62 46.15 93.76 21.95 45.75 94.11 22.29 45.95 93.94 1 0 57.74 -999 ? O4 PEG F 1 >SER.C 115 23.34 42.44 93.37 25.74 42.47 92.94 24.54 42.46 93.16 2 0 59.28 -999 ? O4 PEG F 1 >HIS.C 116 24.97 44.48 97.69 24.46 46.51 97.84 24.71 45.50 97.76 3 0 59.83 -999 ? O4 PEG F 1 >ASN~C 117 20.34 44.38 98.34 19.18 44.64 100.11 19.76 44.51 99.23 2 0 63.65 -999 ? O4 PEG F 1 >SER~C 118 18.96 40.27 96.06 20.30 38.30 95.85 19.63 39.29 95.96 2 0 65.78 -999 ? O4 PEG F 1 >ALA~C 119 17.33 38.63 99.10 17.99 38.35 100.41 17.66 38.49 99.76 2 0 68.92 -999 ? O4 PEG F 1 >ASP~C 120 15.80 43.20 99.89 16.20 43.75 101.86 16.00 43.48 100.87 2 0 66.44 -999 ? O4 PEG F 1 >VAL~C 121 14.25 41.92 96.04 15.04 42.80 94.21 14.64 42.36 95.12 3 0 64.41 -999 ? O4 PEG F 1 >GLU~C 122 15.20 37.10 94.84 16.68 35.53 94.77 15.94 36.32 94.80 2 0 68.67 -999 ? O2 PEG F 1 >ALA~C 123 10.89 38.74 98.97 11.40 39.02 100.41 11.15 38.88 99.69 2 0 71.01 -999 ? O4 PEG F 1 >LEU~C 124 9.44 42.64 96.38 10.11 44.43 97.46 9.78 43.54 96.92 3 0 66.69 -999 ? O4 PEG F 1 >SER.C 125 5.68 40.80 95.25 4.17 38.91 95.57 4.92 39.85 95.41 2 0 72.06 -999 ? O2 PEG F 1 >ASN.C 126 3.95 42.46 90.89 5.84 42.84 90.00 4.90 42.65 90.44 2 0 65.74 -999 ? O2 PEG F 1 >GLY.C 127 0.50 43.89 93.61 1.17 43.93 94.11 0.84 43.91 93.86 1 0 69.74 -999 ? O2 PEG F 1 >SER.C 128 1.64 43.99 97.26 1.62 41.62 97.60 1.63 42.80 97.43 2 0 72.61 -999 ? O2 PEG F 1 >VAL^C 129 2.41 46.90 99.52 1.07 48.19 100.71 1.74 47.54 100.12 3 0 69.98 -999 ? O4 PEG F 1 >ALA^C 130 6.03 47.42 100.64 7.09 46.80 99.68 6.56 47.11 100.16 2 0 67.28 -999 ? O4 PEG F 1 >THR^C 131 7.93 50.08 102.52 7.15 50.92 104.35 7.54 50.50 103.43 2 0 67.40 -999 ? O4 PEG F 1 >ILE^C 132 11.61 50.43 99.68 11.98 49.46 98.58 11.80 49.94 99.13 3 0 62.54 -999 ? O4 PEG F 1 >VAL^C 133 14.07 53.17 102.42 14.87 53.63 104.39 14.47 53.40 103.40 3 0 61.77 -999 ? O4 PEG F 1 >GLY^C 134 16.42 54.58 99.75 16.24 55.17 100.34 16.33 54.88 100.04 1 0 57.80 -999 ? O4 PEG F 1 >GLN^C 135 21.16 58.44 99.86 23.21 58.11 100.38 22.18 58.28 100.12 2 0 53.30 -999 ? O4 PEG F 1 >VAL.C 136 18.52 60.27 96.80 16.98 61.82 96.78 17.75 61.05 96.79 3 0 51.35 -999 ? O4 PEG F 1 >HIS.C 137 22.74 58.83 94.71 23.69 57.36 95.88 23.22 58.10 95.29 3 0 49.85 -999 ? O4 PEG F 1 >GLN.C 138 22.70 65.58 90.57 22.51 67.08 92.08 22.60 66.33 91.33 2 0 42.51 -999 ? O4 PEG F 1 >VAL.C 139 18.65 63.44 89.42 16.56 63.22 89.94 17.61 63.33 89.68 3 0 45.62 -999 ? O4 PEG F 1 >GLN.C 140 22.03 65.06 86.51 23.99 65.63 85.86 23.01 65.35 86.19 2 0 38.68 -999 ? O4 PEG F 1 >ASP.C 141 19.32 62.47 81.76 21.17 63.38 81.26 20.24 62.93 81.51 2 0 39.16 -999 ? O4 PEG F 1 >SER.C 142 15.11 62.78 84.19 14.28 61.02 85.55 14.69 61.90 84.87 2 0 46.71 -999 ? O4 PEG F 1 >THR.C 143 12.67 64.38 86.57 11.24 65.05 85.15 11.95 64.71 85.86 2 0 46.03 -999 ? O4 PEG F 1 >ILE.C 144 10.82 60.58 88.56 9.42 60.14 88.57 10.12 60.36 88.57 3 0 51.16 -999 ? O4 PEG F 1 >PRO.C 145 13.44 60.92 93.13 14.02 60.46 91.00 13.73 60.69 92.07 3 0 50.72 -999 ? O4 PEG F 1 >THR^C 146 15.67 56.47 91.21 16.16 55.12 89.65 15.92 55.79 90.43 2 0 51.67 -999 ? O4 PEG F 1 >LEU^C 147 15.47 55.53 95.94 14.27 57.11 96.80 14.87 56.32 96.37 3 0 55.33 -999 ? O4 PEG F 1 >GLN^C 148 20.91 55.69 93.82 20.65 54.51 92.08 20.78 55.10 92.95 2 0 51.36 -999 ? O4 PEG F 1 >ASN^C 149 22.57 52.31 98.82 23.63 50.94 100.15 23.10 51.63 99.49 2 0 57.69 -999 ? O4 PEG F 1 >PRO^C 150 17.43 50.22 97.02 18.49 50.79 98.89 17.96 50.51 97.95 3 0 58.70 -999 ? O4 PEG F 1 >VAL^C 152 13.14 46.77 102.25 12.00 45.30 101.08 12.57 46.03 101.67 3 0 66.27 -999 ? O4 PEG F 1 >VAL^C 153 11.63 47.68 105.64 11.46 49.51 106.67 11.55 48.59 106.15 3 0 67.82 -999 ? O4 PEG F 1 >LYS.C 154 10.01 44.45 106.76 13.23 40.62 103.45 11.62 42.53 105.10 2 0 70.77 -999 ? O4 PEG F 1 >PRO.D 37 16.07 17.09 78.84 17.45 15.44 79.61 16.76 16.27 79.23 3 0 68.00 -999 ? C2 PEG J 2 >GLY~D 38 16.34 11.58 77.97 15.75 12.09 78.29 16.05 11.84 78.13 1 0 69.74 -999 ? C2 PEG J 2 >ASP~D 39 12.80 9.73 75.05 13.19 10.82 73.24 12.99 10.28 74.14 2 0 68.08 -999 ? C2 PEG J 2 >ASP~D 40 12.46 7.45 80.11 12.02 5.64 79.13 12.24 6.54 79.62 2 0 75.71 -999 ? C2 PEG J 2 >ALA~D 41 12.52 11.47 81.94 13.91 11.97 82.36 13.22 11.72 82.15 2 0 73.72 -999 ? C2 PEG J 2 >VAL~D 42 10.76 13.97 79.56 11.29 15.06 77.69 11.02 14.51 78.62 3 0 70.82 -999 ? C2 PEG J 2 >ALA~D 43 7.66 11.76 79.27 7.66 10.31 78.78 7.66 11.04 79.02 2 0 74.69 -999 ? C2 PEG J 2 >SER~D 44 7.29 11.79 83.08 9.40 11.01 84.11 8.34 11.40 83.59 2 0 77.37 -999 ? C2 PEG J 2 >MET?D 45 7.56 15.55 83.70 10.87 17.48 81.63 9.21 16.51 82.67 2 0 71.68 -999 ? C2 PEG J 2 >GLN~D 46 4.76 19.55 85.89 4.51 20.30 87.91 4.64 19.93 86.90 2 0 78.29 -999 ? C2 PEG J 2 >THR^D 47 2.99 19.75 81.44 2.21 18.95 79.64 2.60 19.35 80.54 2 0 73.83 -999 ? C2 PEG J 2 >TYR^D 48 4.51 24.07 83.95 6.30 23.72 86.11 5.40 23.90 85.03 3 0 74.23 -999 ? C2 PEG J 2 >SER~D 49 0.24 25.63 80.62 -1.17 26.77 82.16 -0.46 26.20 81.39 2 0 74.63 -999 ? C2 PEG J 2 >VAL~D 50 1.79 28.97 79.68 2.27 30.03 77.79 2.03 29.50 78.74 3 0 69.32 -999 ? C2 PEG J 2 >ALA~D 51 -0.33 30.73 82.35 -1.85 30.73 82.43 -1.09 30.73 82.39 2 0 74.04 -999 ? C2 PEG J 2 >GLN~D 52 -0.84 26.37 85.28 -1.08 24.25 84.97 -0.96 25.31 85.13 2 0 77.52 -999 ? C2 PEG J 2 >PHE~D 53 6.62 28.33 82.90 9.36 28.86 82.86 7.99 28.60 82.88 3 0 69.62 -999 ? C2 PEG J 2 >LEU~D 54 4.07 33.17 82.80 5.35 33.22 81.06 4.71 33.20 81.93 3 0 69.23 -999 ? C2 PEG J 2 >GLN~D 55 0.94 32.02 89.25 -0.43 33.67 89.52 0.26 32.84 89.38 2 0 75.57 -999 ? O2 PEG F 1 >PRO~D 56 5.88 30.70 88.99 4.89 32.76 89.04 5.39 31.73 89.01 3 0 73.81 -999 ? O2 PEG F 1 >PHE~D 57 8.63 34.11 85.60 10.53 32.11 85.51 9.58 33.11 85.55 3 0 69.41 -999 ? O2 PEG F 1 >THR~D 58 4.17 37.80 87.20 2.15 37.73 86.39 3.16 37.77 86.80 2 0 69.93 -999 ? O2 PEG F 1 >LEU~D 59 4.26 36.75 91.91 2.17 36.16 92.48 3.21 36.45 92.19 3 0 72.70 -999 ? O2 PEG F 1 >ASN~D 60 8.72 37.95 92.53 10.43 39.06 93.06 9.57 38.51 92.79 2 0 67.66 -999 ? O2 PEG F 1 >PRO~D 61 9.82 39.56 87.26 10.16 37.78 88.57 9.99 38.67 87.91 3 0 65.78 -999 ? O2 PEG F 1 >ALA~D 62 13.81 37.71 90.25 14.25 38.86 91.12 14.03 38.28 90.68 2 0 65.21 -999 ? O2 PEG F 1 >LYS~D 63 12.51 35.10 92.73 9.71 31.93 95.96 11.11 33.51 94.34 2 0 74.77 -999 ? O2 PEG F 1 >ALA~D 64 10.99 32.88 90.01 9.81 33.22 89.09 10.40 33.05 89.55 2 0 70.62 -999 ? O2 PEG F 1 >SER~D 65 14.15 33.01 87.85 16.11 34.02 86.75 15.13 33.52 87.30 2 0 66.40 -999 ? O2 PEG F 1 >SER~D 66 16.27 31.97 90.82 17.20 32.05 92.96 16.74 32.01 91.89 2 0 70.38 -999 ? O2 PEG F 1 >ASP~D 67 12.42 29.25 92.36 12.20 30.28 94.20 12.31 29.76 93.28 2 0 74.21 -999 ? O2 PEG F 1 >TYR~D 68 11.45 27.77 87.49 8.84 26.89 87.91 10.15 27.33 87.70 3 0 72.97 -999 ? C2 PEG J 2 >LEU~D 69 18.60 29.31 88.17 20.33 30.32 87.26 19.47 29.82 87.71 3 0 68.54 -999 ? C2 PEG J 2 >GLY~D 70 18.98 25.47 85.51 18.20 25.55 85.67 18.59 25.51 85.59 1 0 68.26 -999 ? C2 PEG J 2 >LYS~D 71 15.70 23.54 85.68 16.00 23.34 90.87 15.85 23.44 88.27 2 0 74.70 -999 ? C2 PEG J 2 >TRP^D 72 16.62 20.25 82.63 17.37 20.98 78.87 17.00 20.61 80.75 3 0 67.02 -999 ? C2 PEG J 2 >VAL^D 73 10.05 22.57 82.19 9.93 24.66 82.83 9.99 23.61 82.51 3 0 70.13 -999 ? C2 PEG J 2 >LYS^D 74 7.55 21.18 79.69 5.91 15.30 79.51 6.73 18.24 79.60 2 0 73.48 -999 ? C2 PEG J 2 >VAL^D 75 5.03 23.75 78.49 5.37 25.81 79.14 5.20 24.78 78.82 3 0 69.23 -999 ? C2 PEG J 2 >ARG^D 76 -0.28 20.18 75.38 -3.36 20.37 75.19 -1.82 20.28 75.29 2 0 73.43 -999 ? C2 PEG J 2 >GLY^D 77 0.60 26.06 74.19 0.85 25.51 73.62 0.73 25.78 73.91 1 0 68.06 -999 ? C2 PEG J 2 >VAL^D 78 -0.46 27.51 70.84 -2.44 28.06 70.16 -1.45 27.79 70.50 3 0 66.25 -999 ? C2 PEG J 2 >ILE^D 79 3.32 27.60 67.71 4.51 27.57 68.41 3.92 27.59 68.06 3 0 61.21 -999 ? C2 PEG J 2 >VAL^D 80 1.94 32.09 67.51 1.24 33.01 69.35 1.59 32.55 68.43 3 0 61.28 -999 ? C2 PEG J 2 >ASP^D 81 5.70 34.31 66.29 7.00 35.18 64.93 6.35 34.74 65.61 2 0 54.51 -999 ? C2 PEG J 2 >ILE^D 82 7.89 29.72 63.62 7.70 28.32 63.46 7.80 29.02 63.54 3 0 55.18 -999 ? C2 PEG J 2 >ARG^D 83 10.82 36.47 64.29 8.76 38.29 62.99 9.79 37.38 63.64 2 0 51.15 -999 ? C2 PEG J 2 >ARG^D 84 16.60 30.34 59.08 18.82 28.68 57.75 17.71 29.51 58.41 2 0 44.97 -999 ? C2 PEG J 2 >LYS^D 85 17.29 34.72 63.05 15.15 39.06 64.47 16.22 36.89 63.76 2 0 48.12 -999 ? C2 PEG J 2 >SER^D 86 20.85 35.66 62.24 20.87 36.82 60.18 20.86 36.24 61.21 2 0 42.29 -999 ? C2 PEG J 2 >GLY~D 87 23.39 34.76 64.88 23.67 35.12 64.19 23.53 34.94 64.54 1 0 45.65 -999 ? C2 PEG J 2 >ILE~D 88 27.27 36.55 67.23 26.93 37.02 67.95 27.10 36.79 67.59 3 0 45.91 -999 ? C2 PEG J 2 >ALA~D 89 29.87 34.11 64.50 30.51 33.59 65.82 30.19 33.85 65.16 2 0 44.42 -999 ? C2 PEG J 2 >GLY~D 90 28.47 32.22 61.42 28.04 32.36 62.05 28.26 32.29 61.73 1 0 41.86 -999 ? C2 PEG J 2 >SER~D 91 25.42 30.90 63.31 25.33 31.87 65.55 25.38 31.38 64.43 2 0 46.55 -999 ? C2 PEG J 2 >TYR^D 92 20.96 29.59 61.21 20.68 26.97 60.29 20.82 28.28 60.75 3 0 46.30 -999 ? C2 PEG J 2 >TYR^D 93 19.04 32.22 67.15 18.49 34.94 67.68 18.76 33.58 67.41 3 0 50.22 -999 ? C2 PEG J 2 >PHE^D 94 15.01 28.28 64.16 16.06 27.11 61.86 15.53 27.69 63.01 3 0 50.87 -999 ? C2 PEG J 2 >ILE^D 95 12.75 33.37 68.36 13.07 33.38 69.84 12.91 33.37 69.10 3 0 54.61 -999 ? C2 PEG J 2 >VAL^D 96 9.39 30.18 68.72 9.02 28.09 68.27 9.21 29.13 68.50 3 0 57.73 -999 ? C2 PEG J 2 >THR^D 97 6.70 32.12 70.59 6.68 34.28 70.52 6.69 33.20 70.56 2 0 59.01 -999 ? C2 PEG J 2 >MET?D 98 3.81 30.46 72.38 4.10 26.88 74.89 3.95 28.67 73.64 2 0 66.16 -999 ? C2 PEG J 2 >ARG^D 99 -2.53 32.75 71.81 -4.86 30.77 71.20 -3.69 31.76 71.50 2 0 68.07 -999 ? C2 PEG J 2 >ASP~D 100 -2.28 30.83 77.89 -3.20 29.44 79.20 -2.74 30.14 78.55 2 0 72.86 -999 ? C2 PEG J 2 >GLU~D 101 -4.69 25.31 74.32 -4.45 23.20 74.52 -4.57 24.25 74.42 2 0 72.55 -999 ? C2 PEG J 2 >GLN~D 102 -7.02 27.01 77.68 -8.39 25.47 78.02 -7.70 26.24 77.85 2 0 76.65 -999 ? C2 PEG J 2 >ASN~D 103 -6.75 33.72 76.24 -6.16 33.75 74.19 -6.46 33.73 75.21 2 0 70.15 -999 ? C2 PEG J 2 >THR~D 105 -2.65 34.94 80.45 -0.50 34.60 80.69 -1.58 34.77 80.57 2 0 70.93 -999 ? C2 PEG J 2 >ASP~D 106 -2.62 38.63 77.34 -2.03 40.11 78.77 -2.32 39.37 78.05 2 0 68.15 -999 ? O2 PEG F 1 >LYS~D 107 1.86 37.09 78.04 2.96 39.54 83.76 2.41 38.31 80.90 2 0 67.16 -999 ? O2 PEG F 1 >ARG~D 108 1.84 35.88 73.43 -0.92 36.47 72.19 0.46 36.18 72.81 2 0 64.54 -999 ? C2 PEG J 2 >LEU^D 109 6.32 31.09 76.93 7.58 29.89 78.18 6.95 30.49 77.55 3 0 65.33 -999 ? C2 PEG J 2 >THR^D 110 9.56 32.26 73.90 10.24 34.28 73.77 9.90 33.27 73.84 2 0 59.45 -999 ? C2 PEG J 2 >PHE^D 111 10.26 27.58 73.58 8.27 26.61 75.29 9.26 27.09 74.43 3 0 62.87 -999 ? C2 PEG J 2 >ASN^D 112 16.41 30.55 72.30 18.15 31.06 71.15 17.28 30.81 71.73 2 0 54.44 -999 ? C2 PEG J 2 >PHE^D 113 14.06 25.55 68.96 11.77 24.38 69.99 12.91 24.96 69.48 3 0 58.15 -999 ? C2 PEG J 2 >GLY^D 114 19.77 26.44 68.01 19.09 26.05 67.72 19.43 26.25 67.86 1 0 53.13 -999 ? C2 PEG J 2 >SER~D 115 20.58 25.50 64.42 23.00 25.57 64.22 21.79 25.53 64.32 2 0 49.32 -999 ? C2 PEG J 2 >HIS~D 116 21.68 21.78 67.72 21.07 22.37 69.64 21.37 22.08 68.68 3 0 55.16 -999 ? C2 PEG J 2 >ASN~D 117 17.04 21.79 67.69 15.58 20.40 68.36 16.31 21.10 68.02 2 0 58.26 -999 ? C2 PEG J 2 >SER~D 118 15.94 22.91 63.04 16.90 22.58 60.88 16.42 22.74 61.96 2 0 51.28 -999 ? C2 PEG J 2 >ALA~D 119 13.93 19.71 62.29 14.44 18.26 62.30 14.19 18.99 62.29 2 0 55.90 -999 ? C2 PEG J 2 >ASP~D 120 12.22 20.51 66.87 12.71 18.68 67.74 12.47 19.60 67.30 2 0 60.11 -999 ? C2 PEG J 2 >VAL~D 121 11.20 23.98 64.39 12.31 25.78 64.76 11.76 24.88 64.57 3 0 55.32 -999 ? C2 PEG J 2 >GLU~D 122 12.40 23.69 59.48 13.90 23.24 58.08 13.15 23.47 58.78 2 0 50.71 -999 ? C2 PEG J 2 >ALA~D 123 7.64 20.68 62.00 7.99 19.26 62.55 7.82 19.97 62.28 2 0 59.01 -999 ? C2 PEG J 2 >LEU~D 124 6.50 24.28 65.12 7.21 23.92 67.13 6.86 24.10 66.12 3 0 59.56 -999 ? C2 PEG J 2 >SER~D 125 2.99 25.44 62.84 1.02 25.06 61.48 2.01 25.25 62.16 2 0 60.03 -999 ? C2 PEG J 2 >ASN~D 126 1.69 30.11 63.01 3.64 30.96 63.25 2.67 30.53 63.13 2 0 56.99 -999 ? C2 PEG J 2 >GLY~D 127 -1.99 28.38 65.22 -1.41 27.82 65.39 -1.70 28.10 65.31 1 0 63.05 -999 ? C2 PEG J 2 >SER~D 128 -1.34 24.80 66.39 -1.35 23.52 64.31 -1.34 24.16 65.35 2 0 63.98 -999 ? C2 PEG J 2 >VAL^D 129 -0.75 23.49 69.87 -2.22 22.81 71.35 -1.49 23.15 70.61 3 0 68.10 -999 ? C2 PEG J 2 >ALA^D 130 2.69 22.12 70.69 3.79 22.72 69.79 3.24 22.42 70.24 2 0 64.46 -999 ? C2 PEG J 2 >THR^D 131 4.50 20.79 73.77 3.77 19.33 75.14 4.13 20.06 74.45 2 0 69.63 -999 ? C2 PEG J 2 >ILE^D 132 8.37 23.33 73.50 8.90 24.04 72.27 8.63 23.68 72.89 3 0 63.44 -999 ? C2 PEG J 2 >VAL^D 133 10.60 21.04 76.87 11.08 19.11 77.70 10.84 20.08 77.29 3 0 67.19 -999 ? C2 PEG J 2 >GLY^D 134 13.15 23.76 77.68 12.92 23.41 78.39 13.04 23.59 78.03 1 0 64.80 -999 ? C2 PEG J 2 >GLN^D 135 17.82 24.41 81.53 19.86 23.78 81.32 18.84 24.09 81.42 2 0 65.06 -999 ? C2 PEG J 2 >VAL~D 136 15.48 28.19 82.34 14.09 28.96 83.84 14.78 28.58 83.09 3 0 66.69 -999 ? C2 PEG J 2 >HIS~D 137 19.95 29.20 80.25 20.87 27.54 79.35 20.41 28.37 79.80 3 0 61.77 -999 ? C2 PEG J 2 >GLN~D 138 20.21 35.24 85.52 19.71 34.50 87.44 19.96 34.87 86.48 2 0 65.01 -999 ? O2 PEG F 1 >VAL~D 139 16.28 35.99 83.24 14.17 35.64 83.28 15.22 35.82 83.26 3 0 63.89 -999 ? O2 PEG F 1 >GLN~D 140 19.78 38.87 83.82 21.83 39.50 84.06 20.81 39.18 83.94 2 0 58.67 -999 ? O2 PEG F 1 >ASP~D 141 17.42 42.85 79.86 19.30 43.39 80.67 18.36 43.12 80.27 2 0 54.96 -999 ? O2 PEG F 1 >SER~D 142 12.92 41.02 80.82 11.78 39.43 79.40 12.35 40.23 80.11 2 0 61.10 -999 ? O2 PEG F 1 >THR~D 143 10.37 39.60 83.20 8.88 41.14 83.27 9.63 40.37 83.23 2 0 62.55 -999 ? O2 PEG F 1 >ILE~D 144 8.63 36.63 80.02 7.35 36.65 79.48 7.99 36.64 79.75 3 0 64.88 -999 ? C2 PEG J 2 >PRO~D 145 10.82 32.34 81.75 11.60 34.12 80.63 11.21 33.23 81.19 3 0 65.28 -999 ? C2 PEG J 2 >THR^D 146 13.22 32.60 76.97 13.81 33.77 75.27 13.52 33.18 76.12 2 0 58.97 -999 ? C2 PEG J 2 >LEU^D 147 12.40 27.93 77.52 11.23 27.60 79.39 11.81 27.77 78.46 3 0 64.48 -999 ? C2 PEG J 2 >GLN^D 148 18.08 29.40 77.14 18.10 30.70 75.46 18.09 30.05 76.30 2 0 58.15 -999 ? C2 PEG J 2 >ASN^D 149 19.22 23.39 75.45 20.01 21.57 74.60 19.61 22.48 75.02 2 0 60.52 -999 ? C2 PEG J 2 >PRO^D 150 14.48 25.31 72.76 15.26 23.46 73.80 14.87 24.38 73.28 3 0 60.32 -999 ? C2 PEG J 2 >VAL^D 152 9.64 19.56 70.84 8.53 20.44 69.19 9.09 20.00 70.01 3 0 62.86 -999 ? C2 PEG J 2 >VAL~D 153 7.57 16.71 72.35 7.64 16.11 74.41 7.61 16.41 73.38 3 0 67.76 -999 ? C2 PEG J 2 >GLN~E 36 17.00 34.65 34.47 15.71 36.12 35.35 16.36 35.39 34.91 2 0 31.85 -999 ? O1 PEG J 2 >PRO~E 37 13.81 31.08 35.98 15.05 31.28 34.15 14.43 31.18 35.06 3 0 35.39 -999 ? C2 PEG J 2 >GLY~E 38 13.93 31.15 29.90 13.32 31.08 30.45 13.63 31.12 30.18 1 0 34.81 -999 ? O1 PEG J 2 >ASP~E 39 10.93 33.65 26.97 12.15 35.41 27.34 11.54 34.53 27.16 2 0 33.66 -999 ? O1 PEG J 2 >ASP~E 40 9.36 28.39 26.25 10.41 26.59 26.77 9.88 27.49 26.51 2 0 40.12 -999 ? O1 PEG J 2 >ALA~E 41 9.99 27.70 30.81 11.40 27.59 31.43 10.69 27.65 31.12 2 0 39.19 -999 ? O1 PEG J 2 >VAL~E 42 8.23 30.75 32.34 8.65 32.91 32.51 8.44 31.83 32.42 3 0 39.29 -999 ? O1 PEG J 2 >ALA~E 43 5.04 30.23 30.38 4.95 30.00 28.83 4.99 30.12 29.61 2 0 42.70 -999 ? O1 PEG J 2 >SER~E 44 4.85 26.73 31.91 6.94 25.51 31.70 5.90 26.12 31.81 2 0 43.95 -999 ? O1 PEG J 2 >MET?E 45 5.53 27.74 35.53 9.05 30.17 36.21 7.29 28.95 35.87 2 0 40.55 -999 ? O1 PEG J 2 >GLN~E 46 3.53 26.71 40.11 3.58 24.84 41.20 3.56 25.77 40.66 2 0 49.11 -999 ? C2 PEG J 2 >THR^E 47 1.34 31.16 38.98 0.64 32.72 37.63 0.99 31.94 38.30 2 0 46.74 -999 ? O1 PEG J 2 >TYR^E 48 2.68 30.88 43.82 3.83 28.41 44.21 3.25 29.64 44.01 3 0 47.94 -999 ? C2 PEG J 2 >SER^E 49 -1.12 35.14 43.88 -2.68 34.31 45.49 -1.90 34.72 44.68 2 0 51.61 -999 ? O1 PEG J 2 >VAL~E 50 0.58 37.01 46.72 1.21 39.07 47.12 0.89 38.04 46.92 3 0 47.98 -999 ? O1 PEG J 2 >ALA~E 51 -1.73 35.42 49.31 -3.25 35.51 49.38 -2.49 35.46 49.35 2 0 53.34 -999 ? O1 PEG J 2 >GLN~E 52 -3.03 31.13 46.57 -3.80 29.44 47.65 -3.41 30.28 47.11 2 0 55.23 -999 ? C2 PEG J 2 >PHE~E 53 5.04 33.19 47.19 7.76 32.95 47.74 6.40 33.07 47.46 3 0 45.36 -999 ? C2 PEG J 2 >LEU~E 54 2.49 35.21 51.79 3.88 36.81 51.34 3.19 36.01 51.57 3 0 48.89 -999 ? C2 PEG J 2 >GLN~E 55 -1.37 29.33 53.03 -0.53 27.38 53.27 -0.95 28.35 53.15 2 0 55.84 -999 ? C2 PEG J 2 >PRO~E 56 3.77 28.43 51.67 2.74 29.04 53.55 3.25 28.74 52.61 3 0 52.04 -999 ? C2 PEG J 2 >PHE~E 57 6.90 32.17 53.49 8.82 31.33 51.70 7.86 31.75 52.60 3 0 47.35 -999 ? C2 PEG J 2 >THR~E 58 2.42 32.48 57.51 0.55 33.61 57.25 1.49 33.04 57.38 2 0 54.75 -999 ? C2 PEG J 2 >LEU~E 59 1.79 27.71 58.08 -0.33 27.17 57.89 0.73 27.44 57.98 3 0 57.27 -999 ? C2 PEG J 2 >ASN~E 60 6.13 26.84 59.62 7.89 26.33 60.70 7.01 26.59 60.16 2 0 54.43 -999 ? C2 PEG J 2 >PRO~E 61 8.21 32.12 59.49 8.03 30.32 58.17 8.12 31.22 58.83 3 0 51.05 -999 ? C2 PEG J 2 >ALA~E 62 11.33 28.19 58.70 11.71 27.70 60.09 11.52 27.95 59.40 2 0 51.04 -999 ? C2 PEG J 2 >LYS~E 63 9.69 25.31 56.95 5.58 21.84 55.48 7.63 23.57 56.21 2 0 55.16 -999 ? C2 PEG J 2 >ALA~E 64 8.56 27.40 53.95 7.64 28.59 54.01 8.10 27.99 53.98 2 0 49.63 -999 ? C2 PEG J 2 >SER~E 65 12.04 28.82 53.56 14.05 30.03 54.07 13.04 29.42 53.82 2 0 44.70 -999 ? C2 PEG J 2 >SER~E 66 13.54 25.36 53.42 13.64 23.10 54.26 13.59 24.23 53.84 2 0 48.69 -999 ? C2 PEG J 2 >ASP~E 67 9.41 23.76 51.34 9.08 22.37 52.88 9.25 23.07 52.11 2 0 51.21 -999 ? C2 PEG J 2 >TYR~E 68 8.75 27.73 48.62 6.03 26.80 48.60 7.39 27.27 48.61 3 0 47.72 -999 ? C2 PEG J 2 >LEU~E 69 15.87 26.96 50.06 17.61 28.05 50.90 16.74 27.50 50.48 3 0 42.20 -999 ? C2 PEG J 2 >GLY~E 70 16.65 28.25 45.67 15.85 28.17 45.73 16.25 28.21 45.70 1 0 39.32 -999 ? C2 PEG J 2 >LYS~E 71 13.44 27.68 43.70 13.06 22.75 45.36 13.25 25.21 44.53 2 0 44.88 -999 ? C2 PEG J 2 >TRP^E 72 14.81 29.27 39.61 16.06 32.94 39.24 15.44 31.10 39.43 3 0 35.94 -999 ? C2 PEG J 2 >VAL^E 73 8.41 31.28 41.68 8.31 31.31 43.85 8.36 31.29 42.76 3 0 42.59 -999 ? C2 PEG J 2 >LYS^E 74 6.11 33.29 39.43 3.63 31.74 34.14 4.87 32.51 36.79 2 0 43.75 -999 ? O1 PEG J 2 >VAL^E 75 3.89 35.66 41.38 4.18 35.93 43.49 4.03 35.79 42.43 3 0 44.19 -999 ? O1 PEG J 2 >ARG^E 76 -1.86 37.35 37.87 -3.85 38.79 36.02 -2.85 38.07 36.95 2 0 48.28 -999 ? O1 PEG J 2 >GLY^E 77 -0.30 41.01 41.97 0.07 41.27 41.28 -0.12 41.14 41.62 1 0 46.19 -999 ? O1 PEG J 2 >VAL^E 78 -0.79 44.76 41.98 -2.66 45.86 42.15 -1.72 45.31 42.07 3 0 46.68 -999 ? O1 PEG J 2 >ILE^E 79 3.32 47.24 41.23 4.45 46.45 41.51 3.88 46.85 41.37 3 0 41.08 -999 ? O1 PEG J 2 >VAL^E 80 2.07 49.24 45.25 1.09 48.01 46.75 1.58 48.63 46.00 3 0 44.95 -999 ? O1 PEG J 2 >ASP^E 81 6.03 50.60 47.10 7.43 52.14 47.53 6.73 51.37 47.32 2 0 40.55 -999 ? O1 PEG J 2 >ILE^E 82 8.29 51.30 41.85 8.11 51.10 40.53 8.20 51.20 41.19 3 0 36.74 -999 ? O1 PEG J 2 >ARG^E 83 11.68 52.85 48.46 9.50 54.50 49.85 10.59 53.68 49.15 2 0 40.29 -999 ? O1 PEG J 2 >ARG^E 84 17.59 54.80 41.48 19.91 55.14 39.51 18.75 54.97 40.50 2 0 25.88 -999 ? O1 PEG J 2 >LYS^E 85 17.73 52.37 46.89 15.37 52.46 51.87 16.55 52.41 49.38 2 0 37.05 -999 ? C2 PEG J 2 >SER^E 86 21.36 53.20 47.60 21.31 55.44 48.31 21.34 54.32 47.95 2 0 30.60 -999 ? C2 PEG J 2 >GLY~E 87 23.60 50.19 47.64 23.97 50.87 47.83 23.78 50.53 47.73 1 0 28.22 -999 ? C2 PEG J 2 >ILE~E 88 26.90 47.79 50.32 26.80 47.08 51.47 26.85 47.44 50.90 3 0 29.02 -999 ? C2 PEG J 2 >ALA~E 89 30.11 49.34 47.53 30.68 47.89 47.56 30.39 48.61 47.54 2 0 24.16 -999 ? C2 PEG J 2 >GLY~E 90 29.16 51.72 44.65 28.67 51.18 44.91 28.92 51.45 44.78 1 0 22.37 -999 ? C2 PEG J 2 >SER~E 91 25.88 50.04 43.73 25.50 48.36 45.40 25.69 49.20 44.56 2 0 25.41 -999 ? C2 PEG J 2 >TYR^E 92 21.71 52.08 41.57 21.51 52.00 38.78 21.61 52.04 40.17 3 0 24.72 -999 ? O1 PEG J 2 >TYR^E 93 19.07 47.53 45.90 18.49 48.09 48.59 18.78 47.81 47.24 3 0 31.55 -999 ? C2 PEG J 2 >PHE^E 94 15.43 49.53 41.04 16.66 51.10 39.17 16.04 50.32 40.10 3 0 29.36 -999 ? O1 PEG J 2 >ILE^E 95 12.57 47.74 47.13 12.94 46.41 47.88 12.75 47.08 47.50 3 0 36.53 -999 ? C2 PEG J 2 >VAL^E 96 9.25 46.55 44.02 8.92 46.24 41.89 9.09 46.39 42.95 3 0 37.21 -999 ? O1 PEG J 2 >THR^E 97 6.46 45.73 46.49 6.47 46.48 48.51 6.47 46.11 47.50 2 0 42.28 -999 ? O1 PEG J 2 >MET?E 98 3.23 43.93 45.42 3.30 40.33 43.05 3.27 42.13 44.24 2 0 43.60 -999 ? O1 PEG J 2 >ARG^E 99 -3.02 45.90 47.09 -5.20 45.86 44.91 -4.11 45.88 46.00 2 0 50.87 -999 ? O1 PEG J 2 >ASP~E 100 -3.13 39.69 47.69 -4.18 38.10 46.88 -3.65 38.89 47.29 2 0 52.29 -999 ? O1 PEG J 2 >GLU~E 101 -5.35 41.18 41.18 -5.19 39.88 39.50 -5.27 40.53 40.34 2 0 50.14 -999 ? O1 PEG J 2 >GLN~E 102 -8.53 38.77 43.84 -9.74 40.00 42.50 -9.14 39.39 43.17 2 0 55.22 -999 ? O1 PEG J 2 >ASN~E 103 -7.51 42.90 49.49 -6.80 44.76 48.72 -7.15 43.83 49.11 2 0 54.03 -999 ? O1 PEG J 2 >LYS~E 104 -6.65 38.02 50.13 -11.36 36.35 49.14 -9.00 37.19 49.64 2 0 59.95 -999 ? O1 PEG J 2 >THR~E 105 -3.83 38.96 52.56 -1.73 38.37 52.46 -2.78 38.67 52.51 2 0 52.75 -999 ? C2 PEG J 2 >ASP~E 106 -3.19 43.00 55.18 -3.13 41.69 56.90 -3.16 42.34 56.04 2 0 55.52 -999 ? C2 PEG J 2 >LYS~E 107 0.99 41.20 53.77 2.37 36.85 58.21 1.68 39.02 55.99 2 0 52.96 -999 ? C2 PEG J 2 >ARG~E 108 0.94 44.84 50.29 -1.76 46.17 51.11 -0.41 45.51 50.70 2 0 50.59 -999 ? O1 PEG J 2 >LEU^E 109 5.25 39.70 47.84 6.39 37.98 47.21 5.82 38.84 47.52 3 0 43.92 -999 ? C2 PEG J 2 >THR^E 110 8.85 42.58 47.88 9.54 43.29 49.78 9.20 42.94 48.83 2 0 40.98 -999 ? C2 PEG J 2 >PHE^E 111 9.57 40.92 43.49 7.44 39.20 43.10 8.50 40.06 43.29 3 0 39.35 -999 ? O1 PEG J 2 >ASN^E 112 15.85 42.60 46.10 17.74 43.62 46.21 16.80 43.11 46.15 2 0 32.38 -999 ? C2 PEG J 2 >PHE^E 113 13.92 44.19 40.13 11.50 43.08 39.28 12.71 43.63 39.71 3 0 33.16 -999 ? O1 PEG J 2 >GLY^E 114 19.76 44.80 40.80 19.10 45.03 40.34 19.43 44.91 40.57 1 0 27.48 -999 ? C2 PEG J 2 >SER~E 115 20.88 47.81 38.79 23.35 47.76 38.91 22.11 47.78 38.85 2 0 22.97 -999 ? C2 PEG J 2 >HIS~E 116 21.58 43.31 36.38 20.76 41.69 37.44 21.17 42.50 36.91 3 0 25.16 -999 ? C2 PEG J 2 >ASN~E 117 16.92 43.90 36.12 15.49 42.99 34.80 16.21 43.44 35.46 2 0 29.00 -999 ? O1 PEG J 2 >SER~E 118 16.47 48.80 35.63 18.01 50.25 34.43 17.24 49.53 35.03 2 0 25.09 -999 ? O1 PEG J 2 >ALA~E 119 14.61 48.58 32.29 15.07 48.06 30.97 14.84 48.32 31.63 2 0 27.13 -999 ? O1 PEG J 2 >ASP~E 120 12.46 44.75 34.55 12.42 43.12 33.19 12.44 43.93 33.87 2 0 31.27 -999 ? O1 PEG J 2 >VAL~E 121 11.57 48.17 36.97 12.59 48.26 38.86 12.08 48.22 37.91 3 0 32.08 -999 ? O1 PEG J 2 >GLU~E 122 13.26 52.50 34.97 14.76 53.61 34.00 14.01 53.05 34.49 2 0 27.96 -999 ? O1 PEG J 2 >ALA~E 123 8.32 49.67 32.83 8.55 48.56 31.76 8.44 49.12 32.30 2 0 33.55 -999 ? O1 PEG J 2 >LEU~E 124 6.82 48.24 37.27 7.14 46.11 37.52 6.98 47.17 37.40 3 0 36.73 -999 ? O1 PEG J 2 >SER~E 125 3.53 51.05 37.29 1.89 52.49 36.18 2.71 51.77 36.73 2 0 40.86 -999 ? O1 PEG J 2 >ASN~E 126 2.38 52.69 41.82 4.31 52.50 42.77 3.34 52.59 42.29 2 0 40.92 -999 ? O1 PEG J 2 >GLY~E 127 -1.58 50.50 40.77 -1.06 50.05 40.35 -1.32 50.27 40.56 1 0 45.61 -999 ? O1 PEG J 2 >SER~E 128 -1.20 48.05 37.85 -0.96 49.73 36.10 -1.08 48.89 36.97 2 0 43.67 -999 ? O1 PEG J 2 >VAL^E 129 -1.05 44.28 37.84 -2.56 42.72 37.64 -1.80 43.50 37.74 3 0 45.68 -999 ? O1 PEG J 2 >ALA^E 130 2.29 42.63 37.04 3.47 43.51 37.38 2.88 43.07 37.21 2 0 40.64 -999 ? O1 PEG J 2 >THR^E 131 3.63 39.07 37.10 2.47 37.47 36.19 3.05 38.27 36.65 2 0 42.92 -999 ? O1 PEG J 2 >ILE^E 132 7.66 39.76 39.24 8.30 41.10 39.47 7.98 40.43 39.35 3 0 38.03 -999 ? O1 PEG J 2 >VAL^E 133 9.39 35.59 38.45 9.80 34.02 37.05 9.59 34.81 37.75 3 0 38.25 -999 ? O1 PEG J 2 >GLY^E 134 11.87 35.57 41.33 11.57 34.81 41.24 11.72 35.19 41.29 1 0 37.31 -999 ? C2 PEG J 2 >GLN^E 135 16.14 31.82 43.38 18.11 31.31 42.72 17.12 31.57 43.05 2 0 35.21 -999 ? C2 PEG J 2 >VAL~E 136 13.70 32.44 47.04 12.08 31.39 48.12 12.89 31.91 47.58 3 0 40.96 -999 ? C2 PEG J 2 >HIS~E 137 18.29 34.21 47.57 19.32 34.42 45.76 18.81 34.31 46.67 3 0 35.20 -999 ? C2 PEG J 2 >GLN~E 138 18.26 31.27 54.94 17.61 29.25 54.87 17.93 30.26 54.90 2 0 43.42 -999 ? C2 PEG J 2 >VAL~E 139 14.56 34.07 54.86 12.38 34.18 54.52 13.47 34.13 54.69 3 0 43.71 -999 ? C2 PEG J 2 >GLN~E 140 18.03 33.80 57.97 19.99 33.39 58.68 19.01 33.59 58.32 2 0 42.87 -999 ? C2 PEG J 2 >ASP~E 141 16.37 39.09 60.54 18.16 38.30 61.31 17.27 38.69 60.93 2 0 44.17 -999 ? C2 PEG J 2 >SER~E 142 11.77 38.23 58.96 12.76 38.08 56.73 12.27 38.16 57.85 2 0 44.19 -999 ? C2 PEG J 2 >THR~E 143 8.85 35.96 58.13 7.46 36.58 59.60 8.15 36.27 58.86 2 0 50.18 -999 ? C2 PEG J 2 >ILE~E 144 7.51 38.44 54.31 6.37 39.25 54.03 6.94 38.85 54.17 3 0 46.56 -999 ? C2 PEG J 2 >PRO~E 145 9.40 35.07 50.74 10.26 36.52 52.22 9.83 35.80 51.48 3 0 43.74 -999 ? C2 PEG J 2 >THR^E 146 12.21 39.22 49.53 12.97 41.18 49.93 12.59 40.20 49.73 2 0 38.85 -999 ? C2 PEG J 2 >LEU^E 147 11.35 37.21 45.22 9.93 35.60 45.44 10.64 36.40 45.33 3 0 39.71 -999 ? C2 PEG J 2 >GLN^E 148 16.97 37.34 46.57 17.27 39.32 47.28 17.12 38.33 46.92 2 0 34.60 -999 ? C2 PEG J 2 >ASN^E 149 18.03 36.71 40.48 19.75 36.49 41.75 18.89 36.60 41.12 2 0 30.91 -999 ? C2 PEG J 2 >PRO^E 150 13.71 40.53 41.12 14.40 38.88 39.74 14.06 39.71 40.43 3 0 33.57 -999 ? C2 PEG J 2 >VAL^E 152 9.13 40.77 34.91 8.40 42.83 35.03 8.77 41.80 34.97 3 0 35.49 -999 ? O1 PEG J 2 >VAL^E 153 7.02 38.38 32.80 6.23 36.40 33.16 6.62 37.39 32.98 3 0 38.46 -999 ? O1 PEG J 2 >LYS~E 154 5.95 40.59 29.98 10.06 44.79 30.22 8.00 42.69 30.10 2 0 32.45 -999 ? O1 PEG J 2 >GLN~F 36 31.66 83.94 45.11 31.47 81.93 44.42 31.56 82.94 44.76 2 0 18.21 -999 ? O1 PEG F 1 >PRO~F 37 34.51 87.29 46.69 32.77 87.74 45.30 33.64 87.51 46.00 3 0 13.58 -999 ? O1 PEG F 1 >GLY~F 38 33.78 89.10 41.24 34.38 89.16 41.75 34.08 89.13 41.49 1 0 17.41 -999 ? O1 PEG F 1 >ASP~F 39 36.64 88.91 37.32 35.52 87.21 36.63 36.08 88.06 36.98 2 0 21.67 -999 ? O1 PEG F 1 >ASP~F 40 37.46 93.81 39.20 36.82 93.81 37.15 37.14 93.81 38.18 2 0 20.58 -999 ? O1 PEG F 1 >ALA~F 41 37.57 92.20 43.44 36.21 91.99 44.13 36.89 92.10 43.78 2 0 13.74 -999 ? O1 PEG F 1 >VAL~F 42 39.32 88.80 43.40 38.85 86.74 42.82 39.09 87.77 43.11 3 0 14.85 -999 ? O1 PEG F 1 >ALA~F 43 42.34 90.12 41.50 42.24 90.91 40.18 42.29 90.52 40.84 2 0 17.46 -999 ? O1 PEG F 1 >SER~F 44 42.86 92.82 44.16 40.77 93.68 45.01 41.82 93.25 44.59 2 0 12.61 -999 ? O1 PEG F 1 >MET?F 45 42.83 90.53 47.19 39.27 87.84 47.33 41.05 89.19 47.26 2 0 10.81 -999 ? O1 PEG F 1 >GLN~F 46 45.59 88.89 51.36 46.15 89.66 53.27 45.87 89.27 52.32 2 0 7.20 -999 ? C2 PEG F 1 >THR^F 47 46.98 85.59 48.22 47.37 84.75 46.30 47.18 85.17 47.26 2 0 14.55 -999 ? C2 PEG F 1 >TYR^F 48 45.95 84.21 53.20 44.69 86.14 54.82 45.32 85.17 54.01 3 0 7.70 -999 ? C2 PEG F 1 >SER^F 49 49.73 80.46 51.45 51.49 80.84 53.02 50.61 80.65 52.23 2 0 14.81 -999 ? O2 PEG F 1 >VAL~F 50 48.29 77.60 53.41 47.72 75.51 52.99 48.01 76.56 53.20 3 0 15.72 -999 ? O2 PEG F 1 >ALA~F 51 50.86 78.10 56.19 52.42 78.12 56.08 51.64 78.11 56.14 2 0 16.15 -999 ? C3 PEG F 1 >GLN~F 52 50.67 84.15 55.86 51.01 85.57 54.22 50.84 84.86 55.04 2 0 11.61 -999 ? C2 PEG F 1 >PHE~F 53 44.06 80.89 55.70 41.42 80.68 56.41 42.74 80.78 56.06 3 0 9.26 -999 ? O2 PEG F 1 >LEU~F 54 46.75 77.15 58.81 45.38 75.83 57.82 46.07 76.49 58.32 3 0 13.66 -999 ? O2 PEG F 1 >GLN~F 55 50.85 82.03 62.05 51.92 80.54 63.24 51.39 81.29 62.65 2 0 13.70 -999 ? C3 PEG F 1 >PRO~F 56 45.98 83.73 61.42 46.72 82.17 62.85 46.35 82.95 62.14 3 0 8.15 -999 ? C3 PEG F 1 >PHE~F 57 42.53 79.20 61.86 40.53 80.73 60.69 41.53 79.96 61.28 3 0 9.38 -999 ? O2 PEG F 1 >THR~F 58 47.30 77.47 65.12 49.05 76.55 64.20 48.18 77.01 64.66 2 0 15.34 -999 ? C3 PEG F 1 >LEU~F 59 47.94 81.67 67.53 49.77 82.39 66.51 48.85 82.03 67.02 3 0 11.82 -999 ? O4 PEG F 1 >ASN~F 60 43.77 81.61 69.53 42.04 81.61 70.76 42.90 81.61 70.15 2 0 12.17 -999 ? O4 PEG F 1 >PRO~F 61 41.58 76.93 67.46 41.74 79.05 66.86 41.66 77.99 67.16 3 0 13.49 -999 ? C3 PEG F 1 >ALA~F 62 38.45 80.57 68.47 38.16 80.45 69.93 38.31 80.51 69.20 2 0 13.19 -999 ? O4 PEG F 1 >LYS~F 63 39.92 84.02 67.94 41.36 88.81 68.19 40.64 86.42 68.06 2 0 5.81 -999 ? O4 PEG F 1 >ALA~F 64 40.81 83.37 64.32 41.82 82.31 63.85 41.32 82.84 64.08 2 0 8.11 -999 ? O2 PEG F 1 >SER~F 65 37.39 81.96 63.47 35.35 80.68 63.67 36.37 81.32 63.57 2 0 11.09 -999 ? O2 PEG F 1 >SER~F 66 35.84 85.01 65.06 35.16 86.39 66.85 35.50 85.70 65.95 2 0 9.21 -999 ? O4 PEG F 1 >ASP~F 67 39.64 87.63 63.42 40.28 88.31 65.33 39.96 87.97 64.37 2 0 4.03 -999 ? O4 PEG F 1 >TYR~F 68 39.73 85.04 59.08 42.37 85.66 58.38 41.05 85.35 58.73 3 0 3.94 -999 ? O2 PEG F 1 >LEU~F 69 32.97 85.11 61.63 31.21 83.87 61.97 32.09 84.49 61.80 3 0 10.48 -999 ? O2 PEG F 1 >GLY~F 70 32.01 85.69 57.05 32.79 85.73 57.11 32.40 85.71 57.08 1 0 9.73 -999 ? O1 PEG F 1 >LYS~F 71 35.12 87.07 55.34 35.74 91.35 58.32 35.43 89.21 56.83 2 0 -4.03 -999 ? O1 PEG F 1s >TRP^F 72 33.58 87.18 51.06 32.28 84.01 49.16 32.93 85.60 50.11 3 0 11.66 -999 ? O1 PEG F 1 >VAL^F 73 40.13 84.70 51.65 40.42 83.69 53.56 40.27 84.19 52.60 3 0 8.14 -999 ? C2 PEG F 1 >LYS^F 74 42.14 83.68 48.55 44.12 87.27 44.07 43.13 85.48 46.31 2 0 14.76 -999 ? O1 PEG F 1 >VAL^F 75 44.49 80.77 49.24 44.30 79.84 51.21 44.40 80.30 50.23 3 0 13.01 -999 ? C2 PEG F 1 >ARG^F 76 49.77 80.72 44.85 51.54 80.33 42.33 50.66 80.52 43.59 2 0 21.41 -999 ? C2 PEG F 1 >GLY^F 77 48.60 75.66 47.44 48.19 75.67 46.70 48.39 75.66 47.07 1 0 19.46 -999 ? C2 PEG F 1 >VAL^F 78 49.15 72.21 45.90 50.95 71.10 45.34 50.05 71.65 45.62 3 0 24.00 -999 ? C2 PEG F 1 >ILE^F 79 45.00 70.27 44.46 43.86 70.84 45.06 44.43 70.56 44.76 3 0 23.88 -999 ? C2 PEG F 1 >VAL^F 80 46.49 66.86 47.28 47.50 67.32 49.18 46.99 67.09 48.23 3 0 25.52 -999 ? O2 PEG F 1 >ASP^F 81 42.63 64.85 48.66 41.18 63.30 48.61 41.90 64.08 48.63 2 0 24.44 -999 ? C3 PEG J 2 >ILE^F 82 39.92 66.14 43.81 40.01 66.92 42.63 39.96 66.53 43.22 3 0 22.32 -999 ? C1 PEG J 2 >ARG^F 83 37.38 62.29 49.58 39.42 60.04 49.83 38.40 61.16 49.71 2 0 24.46 -999 ? C3 PEG J 2 >ARG^F 84 30.60 62.85 42.65 28.11 63.45 40.98 29.35 63.15 41.81 2 0 23.31 -999 ? C1 PEG J 2 >LYS^F 85 30.92 63.05 48.58 33.92 60.39 52.34 32.42 61.72 50.46 2 0 28.48 -999 ? C3 PEG J 2 >SER^F 86 27.35 61.92 49.26 27.26 59.58 48.89 27.30 60.75 49.08 2 0 28.18 -999 ? C1 PEG J 2 >GLY~F 87 25.13 64.63 50.69 24.79 63.93 50.61 24.96 64.28 50.65 1 0 30.67 -999 ? O2 PEG F 1 >ILE~F 88 22.06 65.70 54.31 22.23 65.90 55.73 22.15 65.80 55.02 3 0 30.51 -999 ? O2 PEG F 1 >ALA~F 89 18.69 65.47 51.31 18.26 66.83 51.88 18.47 66.15 51.60 2 0 32.95 -999 ? O2 PEG F 1 >GLY~F 90 19.45 64.24 47.72 19.97 64.64 48.13 19.71 64.44 47.92 1 0 33.57 -999 ? C1 PEG J 2 >SER~F 91 22.65 66.24 47.29 23.11 67.21 49.45 22.88 66.73 48.37 2 0 30.22 -999 ? O2 PEG F 1 >TYR^F 92 26.57 65.35 44.11 26.47 66.48 41.60 26.52 65.92 42.85 3 0 26.66 -999 ? C1 PEG J 2 >TYR^F 93 29.50 67.82 49.69 30.35 66.26 51.86 29.93 67.04 50.78 3 0 26.38 -999 ? O2 PEG F 1 >PHE^F 94 32.82 68.00 44.25 31.32 67.36 41.99 32.07 67.68 43.12 3 0 25.04 -999 ? C1 PEG J 2 >ILE^F 95 36.14 67.28 50.39 35.95 68.20 51.65 36.04 67.74 51.02 3 0 23.67 -999 ? O2 PEG F 1 >VAL^F 96 39.22 69.59 47.85 39.43 70.78 46.03 39.33 70.19 46.94 3 0 22.84 -999 ? C2 PEG F 1 >THR^F 97 42.25 69.46 50.12 42.39 67.99 51.66 42.32 68.72 50.89 2 0 22.67 -999 ? O2 PEG F 1 >MET?F 98 45.31 71.68 49.74 45.16 75.90 48.93 45.23 73.79 49.34 2 0 17.36 -999 ? C2 PEG F 1 >ARG^F 99 51.53 69.17 49.95 53.68 70.03 47.93 52.61 69.60 48.94 2 0 25.68 -999 ? O2 PEG F 1 >ASP~F 100 52.06 74.88 52.88 53.12 76.66 52.62 52.59 75.77 52.75 2 0 18.66 -999 ? O2 PEG F 1 >GLU~F 101 53.50 76.17 46.17 53.05 77.86 45.01 53.28 77.01 45.59 2 0 21.60 -999 ? C2 PEG F 1 >GLN~F 102 57.07 77.01 49.08 57.97 78.90 49.30 57.52 77.96 49.19 2 0 22.11 -999 ? C2 PEG F 1 >ASN~F 103 56.32 71.25 52.88 55.62 69.84 51.42 55.97 70.54 52.15 2 0 25.49 -999 ? O2 PEG F 1 >THR~F 105 53.14 73.57 57.55 51.04 74.13 57.85 52.09 73.85 57.70 2 0 18.08 -999 ? O2 PEG F 1 >ASP~F 106 52.69 68.90 58.55 54.73 68.50 58.01 53.71 68.70 58.28 2 0 24.77 -999 ? O2 PEG F 1 >LYS~F 107 48.39 71.09 58.10 48.27 73.58 63.88 48.33 72.33 60.99 2 0 17.61 -999 ? C3 PEG F 1 >ARG~F 108 47.62 68.68 53.91 50.33 67.28 53.34 48.98 67.98 53.63 2 0 24.56 -999 ? O2 PEG F 1 >LEU^F 109 43.56 74.62 53.57 42.45 76.46 53.82 43.00 75.54 53.70 3 0 14.98 -999 ? O2 PEG F 1 >THR^F 110 39.92 71.83 52.80 39.41 70.50 54.37 39.66 71.17 53.59 2 0 19.49 -999 ? O2 PEG F 1 >PHE^F 111 38.99 74.95 49.42 41.17 76.58 49.64 40.08 75.77 49.53 3 0 16.69 -999 ? C2 PEG F 1 >ASN^F 112 32.92 72.40 51.62 31.06 71.41 51.49 31.99 71.90 51.55 2 0 22.02 -999 ? O2 PEG F 1 >PHE^F 113 34.22 73.32 45.36 36.60 74.66 44.90 35.41 73.99 45.13 3 0 21.45 -999 ? C2 PEG F 1 >GLY^F 114 28.54 72.46 46.24 29.19 72.45 45.65 28.87 72.46 45.95 1 0 24.65 -999 ? C2 PEG F 1 >SER~F 115 27.34 70.44 43.24 24.96 70.16 43.63 26.15 70.30 43.44 2 0 29.43 -999 ? C2 PEG F 1 >HIS~F 116 26.42 75.49 42.88 27.29 76.55 44.47 26.86 76.02 43.68 3 0 24.47 -999 ? O1 PEG F 1 >ASN~F 117 31.11 75.05 42.09 32.35 76.54 41.23 31.73 75.80 41.66 2 0 23.36 -999 ? O1 PEG F 1 >SER~F 118 31.41 70.82 39.63 29.73 69.89 38.21 30.57 70.36 38.92 2 0 24.71 -999 ? C1 PEG J 2 >ALA~F 119 33.06 72.46 36.57 32.51 73.53 35.63 32.78 73.00 36.10 2 0 25.18 -999 ? C1 PEG J 2 >ASP~F 120 35.53 75.14 39.97 35.22 77.16 39.38 35.38 76.15 39.68 2 0 23.59 -999 ? C2 PEG F 1 >VAL~F 121 36.33 70.95 40.71 35.44 70.18 42.56 35.88 70.56 41.63 3 0 24.75 -999 ? C1 PEG J 2 >GLU~F 122 34.48 67.68 37.27 32.84 67.11 36.00 33.66 67.39 36.64 2 0 20.10 -999 ? C1 PEG J 2 >ALA~F 123 39.35 71.31 36.27 39.04 72.77 35.88 39.20 72.04 36.08 2 0 22.86 -999 ? C1 PEG J 2 >LEU~F 124 41.24 70.85 40.79 40.83 72.70 41.83 41.03 71.77 41.31 3 0 24.68 -999 ? C1 PEG J 2 >SER~F 125 44.44 68.30 39.40 45.66 67.47 37.50 45.05 67.89 38.45 2 0 18.69 -999 ? C4 PEG J 2 >ASN~F 126 45.87 65.07 42.84 44.01 64.71 43.86 44.94 64.89 43.35 2 0 21.06 -999 ? C3 PEG J 2 >GLY~F 127 49.72 67.47 42.45 49.16 68.04 42.27 49.44 67.75 42.36 1 0 22.16 -999 ? C4 PEG J 2 >SER~F 128 49.09 70.87 40.79 48.92 70.12 38.56 49.01 70.49 39.67 2 0 21.67 -999 ? C4 PEG J 2 >VAL^F 129 49.01 74.32 42.26 50.48 75.81 42.72 49.74 75.07 42.49 3 0 23.39 -999 ? C2 PEG F 1 >ALA^F 130 45.67 76.06 42.43 44.51 75.08 42.47 45.09 75.57 42.45 2 0 21.99 -999 ? C2 PEG F 1 >THR^F 131 44.35 79.33 43.84 45.41 81.14 43.60 44.88 80.24 43.72 2 0 17.70 -999 ? C2 PEG F 1 >ILE^F 132 40.44 77.79 45.95 39.79 76.47 45.81 40.12 77.13 45.88 3 0 17.88 -999 ? C2 PEG F 1 >VAL^F 133 38.73 81.92 46.90 38.31 83.90 46.28 38.52 82.91 46.59 3 0 13.92 -999 ? C2 PEG F 1 >GLY^F 134 36.47 80.86 49.77 36.79 81.58 49.96 36.63 81.22 49.87 1 0 13.29 -999 ? C2 PEG F 1 >GLN^F 135 32.48 83.44 53.52 30.43 84.03 53.18 31.46 83.74 53.35 2 0 12.73 -999 ? O1 PEG F 1 >VAL~F 136 35.14 81.29 56.43 36.86 81.73 57.71 36.00 81.51 57.07 3 0 9.61 -999 ? O2 PEG F 1 >HIS~F 137 30.49 79.41 56.52 29.35 79.90 54.83 29.92 79.66 55.67 3 0 15.28 -999 ? O2 PEG F 1 >GLN~F 138 31.50 79.38 64.51 31.84 81.42 65.05 31.67 80.40 64.78 2 0 13.32 -999 ? O2 PEG F 1 >VAL~F 139 34.87 76.71 62.94 36.90 76.79 62.34 35.88 76.75 62.64 3 0 13.86 -999 ? O2 PEG F 1 >GLN~F 140 31.61 75.59 65.91 29.75 75.59 66.95 30.68 75.59 66.43 2 0 19.23 -999 ? O2 PEG F 1 >ASP~F 141 33.52 69.86 66.12 31.83 70.37 67.20 32.67 70.12 66.66 2 0 22.35 -999 ? O2 PEG F 1 >SER~F 142 37.93 71.38 64.72 38.51 71.58 62.39 38.22 71.48 63.55 2 0 18.03 -999 ? O2 PEG F 1 >THR~F 143 40.78 73.84 64.72 42.38 72.76 65.71 41.58 73.30 65.21 2 0 17.56 -999 ? O2 PEG F 1 >ILE~F 144 41.89 73.23 60.18 43.10 72.75 59.45 42.50 72.99 59.81 3 0 16.25 -999 ? O2 PEG F 1 >PRO~F 145 39.84 77.68 58.36 39.03 75.77 59.19 39.43 76.73 58.78 3 0 12.62 -999 ? O2 PEG F 1 >THR^F 146 36.84 74.21 55.80 36.07 72.30 55.46 36.46 73.25 55.63 2 0 18.13 -999 ? O2 PEG F 1 >LEU^F 147 37.29 77.82 52.59 38.76 79.18 53.40 38.02 78.50 52.99 3 0 12.96 -999 ? C2 PEG F 1 >GLN^F 148 31.72 77.06 54.28 31.57 74.95 54.03 31.65 76.00 54.16 2 0 18.07 -999 ? O2 PEG F 1 >ASN^F 149 30.28 79.88 48.90 28.77 79.57 50.36 29.53 79.73 49.63 2 0 17.76 -999 ? O1 PEG F 1 >PRO^F 150 34.65 76.26 47.83 33.88 78.30 47.27 34.27 77.28 47.55 3 0 17.95 -999 ? C2 PEG F 1 >LYS^F 151 35.63 79.57 43.51 34.22 82.35 39.32 34.92 80.96 41.42 2 0 21.09 -999 ? O1 PEG F 1 >VAL^F 152 38.81 78.62 41.62 39.57 76.68 40.87 39.19 77.65 41.24 3 0 21.13 -999 ? C2 PEG F 1 >VAL~F 153 40.67 81.67 40.25 40.47 82.87 42.09 40.57 82.27 41.17 3 0 18.81 -999 ? O1 PEG F 1 >PRO~G 37 35.87 81.94 93.14 34.71 83.83 92.66 35.29 82.88 92.90 3 0 31.89 -999 ? O4 PEG F 1 >GLY~G 38 35.96 88.01 92.78 36.54 87.44 92.93 36.25 87.72 92.85 1 0 30.75 -999 ? O4 PEG F 1 >ASP~G 39 39.42 91.04 91.09 38.56 91.07 89.13 38.99 91.05 90.11 2 0 26.60 -999 ? O4 PEG F 1 >ASP~G 40 39.42 90.77 96.57 39.36 92.90 96.34 39.39 91.84 96.45 2 0 33.74 -999 ? O4 PEG F 1 >ALA~G 41 39.58 86.40 96.32 38.21 85.72 96.28 38.90 86.06 96.30 2 0 34.11 -999 ? O4 PEG F 1 >VAL~G 42 41.36 85.18 93.18 40.90 84.98 91.09 41.13 85.08 92.13 3 0 29.92 -999 ? O4 PEG F 1 >ALA~G 43 44.46 87.35 93.73 44.49 88.88 93.77 44.47 88.11 93.75 2 0 31.14 -999 ? O4 PEG F 1 >SER~G 44 44.83 85.76 97.26 42.77 85.44 98.56 43.80 85.60 97.91 2 0 36.18 -999 ? O4 PEG F 1 >MET?G 45 44.42 82.08 96.11 40.99 81.27 93.68 42.71 81.68 94.90 2 0 32.36 -999 ? O4 PEG F 1 >GLN~G 46 46.94 77.60 96.36 46.75 76.23 97.98 46.85 76.91 97.17 2 0 38.37 -999 ? O4 PEG F 1 >THR^G 47 48.52 78.97 92.32 49.12 80.33 90.74 48.82 79.65 91.53 2 0 30.66 -999 ? O4 PEG F 1 >TYR^G 48 47.57 74.02 92.72 46.20 73.51 95.10 46.89 73.77 93.91 3 0 35.80 -999 ? O4 PEG F 1 >SER^G 49 51.23 73.92 88.60 52.71 72.20 89.29 51.97 73.06 88.94 2 0 34.06 -999 ? O4 PEG F 1 >VAL~G 50 49.43 71.27 86.53 48.79 71.11 84.45 49.11 71.19 85.49 3 0 30.80 -999 ? O4 PEG F 1 >ALA~G 51 51.64 68.50 88.04 53.14 68.47 88.05 52.39 68.49 88.04 2 0 35.46 -999 ? O4 PEG F 1 >GLN~G 52 52.80 71.21 92.38 53.41 73.22 92.81 53.10 72.22 92.60 2 0 36.57 -999 ? O4 PEG F 1 >PHE~G 53 44.95 70.65 90.16 42.22 70.22 90.10 43.58 70.44 90.13 3 0 34.13 -999 ? O4 PEG F 1 >LEU~G 54 47.28 66.22 87.81 46.00 66.77 86.12 46.64 66.50 86.96 3 0 34.58 -999 ? O4 PEG F 1 >GLN~G 55 50.87 64.10 93.66 51.80 62.29 92.78 51.34 63.19 93.22 2 0 42.50 -999 ? O4 PEG F 1 >PRO~G 56 45.93 66.00 94.64 46.67 64.05 93.78 46.30 65.03 94.21 3 0 40.86 -999 ? O4 PEG F 1 >PHE~G 57 42.61 64.49 90.41 40.72 66.33 91.34 41.66 65.41 90.88 3 0 37.87 -999 ? O4 PEG F 1 >THR~G 58 47.08 60.48 89.91 48.95 60.93 88.93 48.01 60.71 89.42 2 0 40.28 -999 ? O4 PEG F 1 >LEU~G 59 47.51 59.35 94.56 49.63 59.61 95.23 48.57 59.48 94.90 3 0 45.31 -999 ? O4 PEG F 1 >ASN~G 60 43.04 57.78 95.03 41.23 56.75 95.33 42.13 57.27 95.18 2 0 47.11 -999 ? O4 PEG F 1 >PRO~G 61 41.13 58.52 89.83 41.31 59.75 91.69 41.22 59.14 90.76 3 0 42.26 -999 ? O4 PEG F 1 >ALA~G 62 37.78 59.09 93.50 37.34 57.65 93.82 37.56 58.37 93.66 2 0 45.67 -999 ? O4 PEG F 1 >LYS~G 63 39.38 60.39 96.71 42.38 61.57 100.85 40.88 60.98 98.78 2 0 47.99 -999 ? O4 PEG F 1 >ALA~G 64 40.63 63.57 95.03 41.68 63.67 93.95 41.15 63.62 94.49 2 0 41.32 -999 ? O4 PEG F 1 >SER~G 65 37.36 64.28 93.25 35.34 63.96 91.99 36.35 64.12 92.62 2 0 40.25 -999 ? O4 PEG F 1 >SER~G 66 35.61 63.88 96.53 34.72 62.74 98.40 35.17 63.31 97.46 2 0 45.94 -999 ? O4 PEG F 1 >ASP~G 67 39.53 65.90 98.77 40.05 64.22 99.92 39.79 65.06 99.34 2 0 45.72 -999 ? O4 PEG F 1 >TYR~G 68 40.35 69.25 95.05 43.06 70.07 95.43 41.71 69.66 95.24 3 0 38.74 -999 ? O4 PEG F 1 >LEU~G 69 33.21 67.59 95.57 31.42 67.10 94.36 32.31 67.35 94.97 3 0 41.02 -999 ? O4 PEG F 1 >GLY~G 70 32.94 72.15 94.52 33.71 72.04 94.63 33.32 72.09 94.57 1 0 37.94 -999 ? O4 PEG F 1 >LYS~G 71 36.23 73.86 95.27 37.97 71.05 100.57 37.10 72.46 97.92 2 0 42.85 -999 ? O4 PEG F 1 >TRP^G 72 35.21 78.11 94.13 34.04 78.95 90.47 34.63 78.53 92.30 3 0 32.84 -999 ? O4 PEG F 1 >VAL^G 73 41.60 76.05 92.21 41.61 73.88 91.87 41.60 74.97 92.04 3 0 33.27 -999 ? O4 PEG F 1 >LYS^G 74 43.94 78.37 90.24 46.26 84.01 92.04 45.10 81.19 91.14 2 0 30.31 -999 ? O4 PEG F 1 >VAL^G 75 46.34 76.62 87.89 45.98 74.48 87.71 46.16 75.55 87.80 3 0 29.57 -999 ? O4 PEG F 1 >ARG^G 76 52.65 80.15 86.33 54.31 82.29 84.62 53.48 81.22 85.48 2 0 26.41 -999 ? O4 PEG F 1 >GLY^G 77 50.43 76.10 82.71 50.23 76.88 82.49 50.33 76.49 82.60 1 0 26.11 -999 ? O4 PEG F 1 >VAL^G 78 51.26 76.35 79.02 53.21 76.37 78.04 52.23 76.36 78.53 3 0 23.63 -999 ? O4 PEG F 1 >ILE^G 79 47.35 77.46 76.39 46.14 77.21 77.10 46.75 77.33 76.75 3 0 19.94 -999 ? O4 PEG F 1 >VAL^G 80 48.49 73.47 74.16 49.29 71.85 75.42 48.89 72.66 74.79 3 0 22.78 -999 ? O4 PEG F 1 >ASP^G 81 44.53 72.13 72.42 43.16 71.92 70.79 43.84 72.03 71.60 2 0 20.53 -999 ? O4 PEG F 1 >ILE^G 82 42.29 77.38 72.15 42.46 78.74 72.58 42.37 78.06 72.36 3 0 15.95 -999 ? O4 PEG F 1 >ARG^G 83 38.99 70.98 70.16 41.12 69.77 68.26 40.05 70.37 69.21 2 0 21.26 -999 ? O2 PEG F 1 >ARG^G 84 33.24 78.41 68.39 30.95 80.43 68.27 32.09 79.42 68.33 2 0 16.02 -999 ? O2 PEG F 1 >LYS^G 85 32.85 72.83 70.34 34.92 67.84 69.57 33.88 70.33 69.95 2 0 24.38 -999 ? O2 PEG F 1 >SER^G 86 29.23 72.27 69.35 29.02 71.87 67.02 29.12 72.07 68.19 2 0 22.44 -999 ? O2 PEG F 1 >GLY~G 87 26.87 72.06 72.31 26.54 71.97 71.58 26.70 72.02 71.94 1 0 25.69 -999 ? O2 PEG F 1 >ILE~G 88 23.29 69.27 74.02 23.38 67.98 74.55 23.33 68.62 74.29 3 0 30.94 -999 ? O2 PEG F 1 >ALA~G 89 20.32 72.56 72.88 19.80 72.46 74.33 20.06 72.51 73.61 2 0 30.89 -999 ? O2 PEG F 1 >GLY~G 90 21.60 75.52 70.74 22.05 75.15 71.28 21.83 75.33 71.01 1 0 26.36 -999 ? O2 PEG F 1 >SER~G 91 24.78 75.99 72.70 24.89 74.25 74.42 24.84 75.12 73.56 2 0 26.59 -999 ? O4 PEG F 1 >TYR^G 92 29.00 78.22 70.92 29.18 80.99 71.22 29.09 79.61 71.07 3 0 19.09 -999 ? O4 PEG F 1 >TYR^G 93 31.34 73.49 75.23 31.86 70.86 74.50 31.60 72.17 74.86 3 0 24.58 -999 ? O4 PEG F 1 >PHE^G 94 35.23 78.31 73.66 34.11 80.40 72.20 34.67 79.35 72.93 3 0 17.03 -999 ? O4 PEG F 1 >ILE^G 95 37.81 72.03 75.25 37.47 71.22 76.58 37.64 71.62 75.91 3 0 23.68 -999 ? O4 PEG F 1 >VAL^G 96 41.14 74.78 76.76 41.53 76.90 77.16 41.34 75.84 76.96 3 0 20.63 -999 ? O4 PEG F 1 >THR^G 97 43.85 72.17 77.36 43.75 70.23 76.43 43.80 71.20 76.89 2 0 24.73 -999 ? O4 PEG F 1 >MET?G 98 46.96 73.03 79.46 46.92 75.23 83.20 46.94 74.13 81.33 2 0 26.12 -999 ? O4 PEG F 1 >ARG^G 99 53.26 71.39 77.51 55.59 73.40 77.83 54.43 72.40 77.67 2 0 26.64 -999 ? O4 PEG F 1 >ASP~G 100 53.24 70.32 83.79 54.34 70.97 85.50 53.79 70.64 84.65 2 0 32.53 -999 ? O4 PEG F 1 >GLU~G 101 55.45 76.89 82.96 55.29 78.57 84.23 55.37 77.73 83.60 2 0 27.97 -999 ? O4 PEG F 1 >GLN~G 102 58.91 73.82 84.93 60.05 75.20 83.69 59.48 74.51 84.31 2 0 31.63 -999 ? O4 PEG F 1 >ASN~G 103 57.38 68.60 80.55 56.65 69.49 78.75 57.02 69.05 79.65 2 0 30.32 -999 ? O4 PEG F 1 >THR~G 105 53.85 65.35 84.14 51.74 65.46 84.73 52.80 65.40 84.43 2 0 34.87 -999 ? O4 PEG F 1 >ASP~G 106 53.15 63.33 79.74 55.14 63.73 79.04 54.14 63.53 79.39 2 0 34.14 -999 ? O4 PEG F 1 >LYS~G 107 48.94 64.57 81.72 47.92 60.42 86.36 48.43 62.49 84.04 2 0 38.89 -999 ? O4 PEG F 1 >ARG~G 108 48.99 67.73 78.11 51.72 67.51 76.69 50.36 67.62 77.40 2 0 28.77 -999 ? O4 PEG F 1 >LEU^G 109 44.83 70.50 83.53 43.56 71.06 85.22 44.19 70.78 84.37 3 0 29.52 -999 ? O4 PEG F 1 >THR^G 110 41.40 70.86 80.47 40.64 69.07 79.52 41.02 69.97 80.00 2 0 27.47 -999 ? O4 PEG F 1 >PHE^G 111 40.60 75.11 82.36 42.74 75.24 84.08 41.67 75.17 83.22 3 0 25.73 -999 ? O4 PEG F 1 >ASN^G 112 34.42 72.87 80.25 32.60 72.92 79.09 33.51 72.90 79.67 2 0 26.02 -999 ? O4 PEG F 1 >PHE^G 113 36.50 78.90 79.14 38.91 79.57 80.39 37.70 79.24 79.77 3 0 21.03 -999 ? O4 PEG F 1 >GLY^G 114 30.75 78.42 78.36 31.43 78.91 78.18 31.09 78.66 78.27 1 0 22.93 -999 ? O4 PEG F 1 >SER~G 115 29.73 80.67 75.44 27.27 80.48 75.52 28.50 80.58 75.48 2 0 22.14 -999 ? O4 PEG F 1 >HIS~G 116 28.94 82.57 80.03 29.54 81.19 81.49 29.24 81.88 80.76 3 0 23.87 -999 ? O4 PEG F 1 >ASN~G 117 33.58 82.81 79.67 35.05 83.81 80.83 34.31 83.31 80.25 2 0 20.62 -999 ? O4 PEG F 1 >SER~G 118 34.38 83.70 74.89 33.18 85.11 73.41 33.78 84.41 74.15 2 0 15.03 -999 ? O4 PEG F 1 >ALA~G 119 36.26 87.01 75.39 35.77 88.30 76.08 36.02 87.66 75.73 2 0 14.96 -999 ? O4 PEG F 1 >ASP~G 120 38.33 84.49 79.13 38.01 85.78 80.71 38.17 85.14 79.92 2 0 19.08 -999 ? O4 PEG F 1 >VAL~G 121 39.12 82.23 75.47 38.08 80.34 75.21 38.60 81.29 75.34 3 0 16.15 -999 ? O4 PEG F 1 >GLU~G 122 37.72 84.57 71.12 36.16 85.64 70.19 36.94 85.11 70.66 2 0 10.84 -999 ? O4 PEG F 1 >ALA~G 123 42.67 86.21 74.36 42.41 87.28 75.42 42.54 86.74 74.89 2 0 13.12 -999 ? O4 PEG F 1 >LEU~G 124 43.86 81.63 75.58 43.41 81.18 77.66 43.63 81.40 76.62 3 0 16.79 -999 ? O4 PEG F 1 >SER~G 125 47.26 81.66 72.85 48.87 82.83 71.53 48.07 82.24 72.19 2 0 13.61 -999 ? O4 PEG F 1 >ASN~G 126 48.35 77.26 70.94 46.44 76.36 71.06 47.39 76.81 71.00 2 0 17.19 -999 ? O4 PEG F 1 >GLY~G 127 52.28 77.85 73.36 51.74 78.30 73.76 52.01 78.07 73.56 1 0 19.55 -999 ? O4 PEG F 1 >SER~G 128 51.83 80.65 75.93 51.65 82.51 74.40 51.74 81.58 75.16 2 0 17.14 -999 ? O4 PEG F 1 >VAL^G 129 51.61 80.43 79.70 53.12 80.53 81.27 52.36 80.48 80.49 3 0 22.90 -999 ? O4 PEG F 1 >ALA^G 130 48.23 81.20 81.27 47.03 80.95 80.33 47.63 81.07 80.80 2 0 20.71 -999 ? O4 PEG F 1 >THR^G 131 46.69 81.13 84.74 47.75 81.89 86.40 47.22 81.51 85.57 2 0 25.86 -999 ? O4 PEG F 1 >ILE^G 132 42.60 79.15 83.80 41.98 79.05 82.41 42.29 79.10 83.10 3 0 23.45 -999 ? O4 PEG F 1 >VAL^G 133 40.71 79.67 87.95 40.26 81.00 89.63 40.49 80.34 88.79 3 0 28.08 -999 ? O4 PEG F 1 >GLY^G 134 38.15 76.87 87.73 38.47 76.90 88.51 38.31 76.89 88.12 1 0 28.85 -999 ? O4 PEG F 1 >GLN^G 135 33.73 74.88 91.26 31.69 75.51 91.46 32.71 75.20 91.36 2 0 34.14 -999 ? O4 PEG F 1 >VAL~G 136 36.06 71.05 90.35 37.59 69.82 91.28 36.82 70.43 90.82 3 0 35.06 -999 ? O4 PEG F 1 >HIS~G 137 31.49 70.82 88.47 30.62 72.72 88.35 31.06 71.77 88.41 3 0 33.80 -999 ? O4 PEG F 1 >GLN~G 138 31.11 63.18 90.59 32.00 62.98 92.52 31.56 63.08 91.55 2 0 41.97 -999 ? O4 PEG F 1 >VAL~G 139 34.96 63.42 87.92 37.07 63.77 87.94 36.02 63.60 87.93 3 0 37.55 -999 ? O4 PEG F 1 >GLN~G 140 31.26 60.65 87.59 29.40 59.68 88.09 30.33 60.16 87.84 2 0 42.10 -999 ? O4 PEG F 1 >ASP~G 141 33.34 58.42 82.26 31.41 57.78 82.97 32.37 58.10 82.62 2 0 40.17 -999 ? O4 PEG F 1 >SER~G 142 37.88 59.80 83.57 36.90 62.03 83.85 37.39 60.91 83.71 2 0 36.05 -999 ? O4 PEG F 1 >THR~G 143 40.75 60.18 86.01 42.17 58.79 85.28 41.46 59.48 85.65 2 0 39.13 -999 ? O4 PEG F 1 >ILE~G 144 42.42 64.13 84.09 43.60 64.39 83.45 43.01 64.26 83.77 3 0 33.85 -999 ? O4 PEG F 1 >PRO~G 145 40.46 67.39 87.66 39.62 66.15 85.98 40.04 66.77 86.82 3 0 34.06 -999 ? O4 PEG F 1 >THR^G 146 37.83 69.09 83.41 37.12 68.87 81.40 37.48 68.98 82.40 2 0 29.20 -999 ? O4 PEG F 1 >LEU^G 147 38.70 73.16 85.88 40.11 72.68 87.53 39.40 72.92 86.70 3 0 29.99 -999 ? O4 PEG F 1 >GLN^G 148 33.00 71.91 85.37 32.94 71.49 83.32 32.97 71.70 84.35 2 0 29.66 -999 ? O4 PEG F 1 >ASN^G 149 31.94 78.07 86.39 31.01 80.02 86.34 31.48 79.04 86.37 2 0 28.21 -999 ? O4 PEG F 1 >PRO^G 150 36.44 77.52 82.77 35.79 78.76 84.53 36.11 78.14 83.65 3 0 25.14 -999 ? O4 PEG F 1 >LYS^G 151 38.02 82.50 84.57 37.27 87.50 88.51 37.65 85.00 86.54 2 0 26.40 -999 ? O4 PEG F 1 >VAL^G 152 41.39 83.49 83.02 42.24 83.49 80.98 41.82 83.49 82.00 3 0 20.56 -999 ? O4 PEG F 1 >VAL~G 153 43.48 85.40 85.56 44.00 84.88 87.55 43.74 85.14 86.55 3 0 24.49 -999 ? O4 PEG F 1 >LYS~G 154 44.67 88.50 83.63 41.47 86.85 79.11 43.07 87.68 81.37 2 0 16.82 -999 ? O4 PEG F 1 >PRO~H 37 31.66 37.43 102.01 31.18 37.77 104.18 31.42 37.60 103.09 3 0 67.60 -999 ? O4 PEG F 1 >GLY~H 38 32.75 38.39 107.99 33.26 38.04 107.47 33.01 38.22 107.73 1 0 69.85 -999 ? O4 PEG F 1 >ASP~H 39 36.44 40.52 110.34 35.62 42.42 109.78 36.03 41.47 110.06 2 0 67.77 -999 ? O4 PEG F 1 >ASP~H 40 36.18 35.26 112.06 36.26 36.19 113.97 36.22 35.72 113.01 2 0 75.08 -999 ? O4 PEG F 1 >ALA~H 41 36.17 34.27 107.69 34.80 34.28 107.00 35.49 34.28 107.35 2 0 72.14 -999 ? O4 PEG F 1 >VAL~H 42 38.44 36.72 105.78 38.31 38.83 105.06 38.37 37.77 105.42 3 0 68.15 -999 ? O4 PEG F 1 >ALA~H 43 41.50 36.16 107.98 41.53 36.30 109.49 41.51 36.23 108.74 2 0 71.78 -999 ? O4 PEG F 1 >SER~H 44 41.07 32.42 107.27 40.15 30.25 107.82 40.61 31.34 107.54 2 0 75.49 -999 ? O4 PEG F 1 >MET?H 45 41.19 32.62 103.47 37.85 35.07 102.02 39.52 33.85 102.75 2 0 68.29 -999 ? O4 PEG F 1 >GLN~H 46 43.91 30.52 99.56 44.90 29.79 97.75 44.41 30.15 98.66 2 0 70.37 -999 ? O4 PEG F 1 >THR^H 47 45.77 35.13 99.81 46.33 37.01 100.68 46.05 36.07 100.25 2 0 65.93 -999 ? O4 PEG F 1 >TYR^H 48 44.20 33.20 95.04 42.54 30.87 94.91 43.37 32.03 94.97 3 0 67.02 -999 ? O4 PEG F 1 >SER^H 49 48.46 36.74 93.96 49.94 35.34 92.67 49.20 36.04 93.31 2 0 63.48 -999 ? O4 PEG F 1 >VAL~H 50 46.98 37.97 90.64 46.62 39.96 89.71 46.80 38.97 90.18 3 0 58.81 -999 ? O4 PEG F 1 >ALA~H 51 49.12 35.45 88.74 50.64 35.35 88.74 49.88 35.40 88.74 2 0 61.81 -999 ? O4 PEG F 1 >GLN~H 52 49.23 31.78 93.03 49.38 31.77 95.17 49.30 31.77 94.10 2 0 67.72 -999 ? O4 PEG F 1 >PHE~H 53 42.09 34.79 91.00 39.41 35.00 90.43 40.75 34.90 90.71 3 0 62.51 -999 ? O4 PEG F 1 >LEU~H 54 44.89 35.28 86.31 43.68 37.03 86.18 44.28 36.16 86.24 3 0 59.43 -999 ? O2 PEG F 1 >GLN~H 55 47.73 28.73 86.61 48.92 28.50 84.79 48.32 28.61 85.70 2 0 61.68 -999 ? C3 PEG J 2 >PRO~H 56 43.05 28.68 88.08 43.77 29.05 85.96 43.41 28.87 87.02 3 0 63.50 -999 ? C3 PEG J 2 >PHE~H 57 40.08 32.64 85.09 38.07 32.65 86.98 39.07 32.64 86.03 3 0 61.57 -999 ? C3 PEG J 2 >THR~H 58 44.55 31.33 81.26 46.49 32.36 81.47 45.52 31.85 81.36 2 0 57.09 -999 ? C3 PEG J 2 >LEU~H 59 44.46 26.44 81.81 46.47 25.55 82.18 45.46 26.00 82.00 3 0 59.96 -999 ? C3 PEG J 2 >ASN~H 60 39.90 26.00 80.39 38.09 25.69 79.30 38.99 25.85 79.84 2 0 58.05 -999 ? C3 PEG J 2 >PRO~H 61 38.87 31.41 79.33 38.69 29.99 81.05 38.78 30.70 80.19 3 0 56.76 -999 ? C3 PEG J 2 >ALA~H 62 35.02 28.56 80.84 34.55 27.87 79.54 34.79 28.21 80.19 2 0 57.86 -999 ? C3 PEG J 2 >LYS~H 63 36.05 25.73 83.23 38.43 21.99 86.32 37.24 23.86 84.77 2 0 65.90 -999 ? C3 PEG J 2 >ALA~H 64 37.60 28.13 85.78 38.81 29.04 85.53 38.21 28.58 85.65 2 0 62.31 -999 ? C3 PEG J 2 >SER~H 65 34.54 30.39 85.77 32.79 31.80 84.88 33.67 31.10 85.33 2 0 61.65 -999 ? C3 PEG J 2 >SER~H 66 32.28 27.43 86.29 31.55 25.17 85.87 31.91 26.30 86.08 2 0 65.19 -999 ? C3 PEG J 2 >ASP~H 67 35.97 25.56 89.02 36.28 23.82 87.84 36.13 24.69 88.43 2 0 66.73 -999 ? C3 PEG J 2 >TYR~H 68 37.24 30.16 90.99 39.88 29.69 91.86 38.56 29.92 91.43 3 0 67.32 -999 ? O2 PEG F 1 >LEU~H 69 30.10 29.93 89.33 28.42 31.00 88.38 29.26 30.47 88.86 3 0 66.51 -999 ? C3 PEG J 2 >GLY~H 70 29.80 32.24 93.39 30.57 32.05 93.32 30.19 32.14 93.35 1 0 67.19 -999 ? O2 PEG F 1 >LYS~H 71 32.99 31.76 95.37 32.60 26.25 95.65 32.79 29.01 95.51 2 0 73.03 -999 ? O2 PEG F 1 >TRP^H 72 32.00 34.33 98.99 31.38 38.19 98.59 31.69 36.26 98.79 3 0 66.18 -999 ? O4 PEG F 1 >VAL^H 73 38.67 35.01 96.77 38.70 34.65 94.63 38.68 34.83 95.70 3 0 65.03 -999 ? O4 PEG F 1 >LYS^H 74 41.11 37.27 98.59 43.24 36.39 104.25 42.17 36.83 101.42 2 0 68.42 -999 ? O4 PEG F 1 >VAL^H 75 43.66 38.57 96.12 43.31 38.27 93.99 43.48 38.42 95.05 3 0 61.54 -999 ? O4 PEG F 1 >ARG^H 76 49.37 40.90 99.57 51.23 43.09 100.82 50.30 41.99 100.19 2 0 61.69 -999 ? O4 PEG F 1 >GLY^H 77 48.52 43.07 94.31 48.16 43.55 94.86 48.34 43.31 94.59 1 0 57.56 -999 ? O4 PEG F 1 >VAL^H 78 49.56 46.57 93.26 51.55 47.43 92.87 50.55 47.00 93.06 3 0 53.91 -999 ? O4 PEG F 1 >ILE^H 79 45.84 49.69 93.44 44.57 49.07 93.36 45.21 49.38 93.40 3 0 51.60 -999 ? O4 PEG F 1 >VAL^H 80 47.25 50.46 89.01 47.96 48.80 87.77 47.60 49.63 88.39 3 0 48.79 -999 ? O4 PEG F 1 >ASP^H 81 43.47 51.95 86.89 42.36 53.57 86.14 42.91 52.76 86.51 2 0 43.95 -999 ? O4 PEG F 1 >ILE^H 82 41.30 54.15 91.68 41.44 54.12 93.10 41.37 54.13 92.39 3 0 47.14 -999 ? O4 PEG F 1 >ARG^H 83 38.22 54.46 84.78 40.71 55.58 83.36 39.46 55.02 84.07 2 0 40.82 -999 ? O4 PEG F 1 >ARG^H 84 32.56 58.97 91.10 30.46 60.21 92.99 31.51 59.59 92.05 2 0 44.56 -999 ? O4 PEG F 1 >LYS^H 85 32.18 55.37 86.38 34.53 54.82 81.52 33.35 55.10 83.95 2 0 41.28 -999 ? O4 PEG F 1 >SER^H 86 28.66 56.50 85.41 28.86 58.55 84.25 28.76 57.53 84.83 2 0 40.96 -999 ? O4 PEG F 1 >GLY~H 87 25.94 53.91 85.97 25.72 54.64 85.64 25.83 54.27 85.80 1 0 46.49 -999 ? O4 PEG F 1 >ILE~H 88 22.01 51.92 83.88 22.30 51.17 83.35 22.15 51.55 83.62 3 0 48.54 -999 ? O2 PEG F 1 >ALA~H 89 19.30 53.96 86.64 18.79 52.58 87.11 19.04 53.27 86.87 2 0 50.97 -999 ? O4 PEG F 1 >GLY~H 90 20.80 57.02 88.46 21.15 56.33 88.44 20.97 56.67 88.45 1 0 47.50 -999 ? O4 PEG F 1 >SER~H 91 23.87 55.26 89.85 23.95 53.03 88.88 23.91 54.15 89.36 2 0 49.39 -999 ? O4 PEG F 1 >TYR^H 92 28.36 56.97 91.45 28.52 57.55 94.16 28.44 57.26 92.81 3 0 47.06 -999 ? O4 PEG F 1 >TYR^H 93 30.15 51.16 88.43 30.89 50.87 85.78 30.52 51.01 87.10 3 0 48.06 -999 ? O4 PEG F 1 >PHE^H 94 34.17 53.65 92.74 33.18 55.86 94.15 33.68 54.76 93.44 3 0 48.07 -999 ? O4 PEG F 1 >ILE^H 95 36.56 49.99 87.27 35.96 48.64 86.98 36.26 49.31 87.12 3 0 48.46 -999 ? O4 PEG F 1 >VAL^H 96 39.67 49.16 90.60 40.04 49.37 92.76 39.86 49.26 91.68 3 0 50.65 -999 ? O4 PEG F 1 >THR^H 97 42.46 47.47 88.57 42.58 47.70 86.41 42.52 47.59 87.49 2 0 49.15 -999 ? O4 PEG F 1 >MET?H 98 45.32 45.44 90.11 44.84 42.61 93.34 45.08 44.03 91.72 2 0 57.12 -999 ? O4 PEG F 1 >ARG^H 99 51.80 46.10 88.04 54.00 46.45 90.24 52.90 46.27 89.14 2 0 53.49 -999 ? O4 PEG F 1 >ASP~H 100 51.13 39.88 89.17 51.93 38.38 90.42 51.53 39.13 89.80 2 0 60.06 -999 ? O4 PEG F 1 >GLU~H 101 53.60 42.74 95.04 52.95 42.46 96.98 53.28 42.60 96.01 2 0 60.19 -999 ? O4 PEG F 1 >GLN~H 102 56.63 39.51 93.13 57.52 37.79 93.94 57.08 38.65 93.54 2 0 63.39 -999 ? O4 PEG F 1 >ASN~H 103 55.64 41.75 86.73 55.32 43.82 87.14 55.48 42.79 86.94 2 0 54.53 -999 ? O4 PEG F 1 >THR~H 105 51.60 37.80 84.64 49.43 37.53 84.85 50.51 37.67 84.74 2 0 58.04 -999 ? C3 PEG F 1 >ASP~H 106 51.57 41.34 81.38 51.37 39.90 79.79 51.47 40.62 80.58 2 0 53.79 -999 ? C3 PEG J 2 >LYS~H 107 47.06 40.41 82.93 44.52 36.05 79.37 45.79 38.23 81.15 2 0 53.93 -999 ? C3 PEG J 2 >ARG~H 108 46.98 45.42 83.67 47.05 48.52 83.21 47.02 46.97 83.44 2 0 47.22 -999 ? O4 PEG F 1 >LEU^H 109 42.65 41.12 88.99 41.41 39.69 90.04 42.03 40.41 89.52 3 0 57.04 -999 ? O4 PEG F 1 >THR^H 110 39.52 44.33 87.97 38.85 44.53 85.95 39.19 44.43 86.96 2 0 51.85 -999 ? O4 PEG F 1 >PHE^H 111 38.74 44.13 92.68 40.59 42.25 93.46 39.66 43.19 93.07 3 0 56.48 -999 ? O4 PEG F 1 >ASN^H 112 32.69 45.80 89.68 31.02 47.01 89.16 31.86 46.40 89.42 2 0 52.32 -999 ? O4 PEG F 1 >PHE^H 113 34.85 48.62 95.03 37.04 47.40 96.11 35.94 48.01 95.57 3 0 54.26 -999 ? O4 PEG F 1 >GLY^H 114 29.19 49.89 94.13 29.88 50.13 94.58 29.53 50.01 94.36 1 0 53.15 -999 ? O4 PEG F 1 >SER~H 115 28.58 53.44 95.37 26.22 53.85 95.39 27.40 53.65 95.38 2 0 51.79 -999 ? O4 PEG F 1 >HIS~H 116 27.19 49.52 98.49 27.77 47.61 97.83 27.48 48.57 98.16 3 0 57.01 -999 ? O4 PEG F 1 >ASN~H 117 31.79 49.55 98.98 33.35 48.85 100.28 32.57 49.20 99.63 2 0 56.95 -999 ? O4 PEG F 1 >SER~H 118 33.15 54.27 98.21 31.87 56.19 98.88 32.51 55.23 98.54 2 0 51.06 -999 ? O4 PEG F 1 >ALA~H 119 34.91 54.53 101.57 34.29 54.22 102.96 34.60 54.38 102.26 2 0 54.90 -999 ? O4 PEG F 1 >ASP~H 120 36.48 50.08 100.29 36.29 48.87 102.02 36.38 49.47 101.16 2 0 57.73 -999 ? O4 PEG F 1 >VAL~H 121 37.79 52.89 97.10 36.78 52.69 95.17 37.28 52.79 96.13 3 0 50.80 -999 ? O4 PEG F 1 >GLU~H 122 36.81 57.75 98.09 35.42 59.20 98.74 36.12 58.48 98.42 2 0 48.34 -999 ? O4 PEG F 1 >ALA~H 123 41.28 54.54 100.89 40.86 53.57 102.06 41.07 54.06 101.47 2 0 54.13 -999 ? O4 PEG F 1 >LEU~H 124 42.60 52.05 96.93 41.98 49.99 97.14 42.29 51.02 97.04 3 0 52.49 -999 ? O4 PEG F 1 >SER~H 125 46.15 54.39 96.18 47.87 55.93 96.94 47.01 55.16 96.56 2 0 49.15 -999 ? O4 PEG F 1 >ASN~H 126 47.50 54.70 91.43 45.55 54.67 90.57 46.53 54.68 91.00 2 0 45.71 -999 ? O4 PEG F 1 >GLY~H 127 51.10 52.40 93.15 50.52 52.13 93.64 50.81 52.26 93.40 1 0 49.77 -999 ? O4 PEG F 1 >SER~H 128 50.37 50.65 96.43 50.51 52.67 97.76 50.44 51.66 97.09 2 0 52.41 -999 ? O4 PEG F 1 >VAL^H 129 49.70 47.08 97.36 51.16 45.52 97.84 50.43 46.30 97.60 3 0 57.11 -999 ? O4 PEG F 1 >ALA^H 130 46.23 46.21 98.68 45.15 47.15 98.18 45.69 46.68 98.43 2 0 56.28 -999 ? O4 PEG F 1 >THR^H 131 44.42 42.97 99.50 45.30 41.56 100.88 44.86 42.27 100.19 2 0 62.34 -999 ? O4 PEG F 1 >ILE^H 132 40.52 43.57 97.04 40.06 44.78 96.36 40.29 44.18 96.70 3 0 57.69 -999 ? O4 PEG F 1 >VAL^H 133 38.15 40.10 98.81 37.61 38.99 100.56 37.88 39.54 99.68 3 0 63.30 -999 ? O4 PEG F 1 >GLY^H 134 35.65 39.64 95.95 35.85 38.89 96.24 35.75 39.26 96.09 1 0 61.32 -999 ? O4 PEG F 1 >GLN^H 135 30.90 36.07 94.90 28.93 36.20 95.73 29.91 36.13 95.31 2 0 65.12 -999 ? O4 PEG F 1 >VAL~H 136 33.28 35.51 91.14 34.85 34.21 90.35 34.07 34.86 90.74 3 0 63.02 -999 ? O2 PEG F 1 >HIS~H 137 28.94 37.81 90.27 27.97 38.51 92.00 28.45 38.16 91.13 3 0 61.32 -999 ? O2 PEG F 1 >GLN~H 138 28.49 33.40 83.57 28.94 31.39 84.16 28.71 32.40 83.87 2 0 61.99 -999 ? C3 PEG J 2 >VAL~H 139 32.64 35.46 83.19 34.74 35.34 83.72 33.69 35.40 83.46 3 0 59.09 -999 ? C3 PEG J 2 >GLN~H 140 29.25 35.22 80.20 27.22 35.00 79.57 28.23 35.11 79.88 2 0 57.20 -999 ? C3 PEG J 2 >ASP~H 141 31.88 39.45 76.56 29.95 38.82 76.10 30.92 39.14 76.33 2 0 52.20 -999 ? C3 PEG J 2 >SER~H 142 36.15 38.10 78.47 37.09 38.88 80.50 36.62 38.49 79.48 2 0 54.63 -999 ? O2 PEG F 1 >THR~H 143 38.68 35.58 79.72 40.24 35.52 78.24 39.46 35.55 78.98 2 0 53.20 -999 ? C3 PEG J 2 >ILE~H 144 40.31 38.56 83.00 41.61 39.10 83.14 40.96 38.83 83.07 3 0 55.56 -999 ? O2 PEG F 1 >PRO~H 145 37.84 36.17 86.97 37.32 37.69 85.36 37.58 36.93 86.17 3 0 58.73 -999 ? O2 PEG F 1 >THR^H 146 35.83 41.28 87.25 35.28 43.14 86.31 35.55 42.21 86.78 2 0 53.56 -999 ? O2 PEG F 1 >LEU^H 147 36.46 40.28 91.87 37.57 38.38 91.95 37.02 39.33 91.91 3 0 59.36 -999 ? O4 PEG F 1 >GLN^H 148 30.78 40.89 90.39 30.81 42.72 89.34 30.80 41.81 89.87 2 0 56.09 -999 ? O4 PEG F 1 >ASN^H 149 29.60 42.11 96.48 28.74 42.93 98.30 29.17 42.52 97.39 2 0 61.10 -999 ? O4 PEG F 1 >PRO^H 150 34.54 44.89 95.07 33.67 43.58 96.67 34.10 44.23 95.87 3 0 57.69 -999 ? O4 PEG F 1 >VAL^H 152 39.25 46.01 100.98 40.27 47.82 100.34 39.76 46.91 100.66 3 0 58.02 -999 ? O4 PEG F 1 >VAL^H 153 41.06 44.07 103.71 41.15 41.92 104.00 41.11 43.00 103.86 3 0 63.03 -999 ? O4 PEG F 1 >LYS~H 154 43.37 46.47 105.68 39.00 50.67 104.10 41.19 48.57 104.89 2 0 57.69 -999 ? O4 PEG F 1 >ALA~I 41 31.32 7.54 61.48 30.00 8.25 61.14 30.66 7.89 61.31 2 0 56.27 -999 ? C2 PEG J 2 >VAL~I 42 33.73 10.03 63.13 33.56 11.49 64.77 33.64 10.76 63.95 3 0 55.50 -999 ? C2 PEG J 2 >ALA~I 43 36.49 7.43 63.49 36.34 6.10 64.26 36.41 6.76 63.87 2 0 58.78 -999 ? C3 PEG J 2 >SER~I 44 36.40 6.54 59.76 34.18 6.76 58.83 35.29 6.65 59.29 2 0 55.27 -999 ? C2 PEG J 2 >MET?I 45 36.47 10.26 58.89 33.63 13.09 60.48 35.05 11.67 59.68 2 0 51.50 -999 ? C2 PEG J 2 >GLN~I 46 39.41 13.19 55.48 40.07 13.63 53.47 39.74 13.41 54.48 2 0 45.92 -999 ? C3 PEG J 2 >THR^I 47 41.57 14.23 59.80 42.15 13.70 61.84 41.86 13.97 60.82 2 0 50.90 -999 ? C3 PEG J 2 >TYR^I 48 40.60 18.47 56.73 38.73 18.13 54.59 39.67 18.30 55.66 3 0 43.59 -999 ? C3 PEG J 2 >SER^I 49 45.24 19.84 59.83 46.88 20.74 58.25 46.06 20.29 59.04 2 0 43.30 -999 ? C3 PEG J 2 >VAL~I 50 44.19 23.50 60.14 44.01 24.96 61.77 44.10 24.23 60.96 3 0 42.93 -999 ? C3 PEG J 2 >ALA~I 51 46.48 24.41 57.24 47.94 24.12 57.11 47.21 24.26 57.17 2 0 40.21 -999 ? C3 PEG J 2 >GLN~I 52 46.22 19.43 55.18 46.15 17.36 55.71 46.18 18.40 55.45 2 0 44.06 -999 ? C3 PEG J 2 >PHE~I 53 39.18 22.97 57.17 36.56 23.89 57.02 37.87 23.43 57.10 3 0 41.14 -999 ? C3 PEG J 2 >LEU~I 54 42.52 27.37 56.27 41.53 27.98 58.14 42.03 27.67 57.21 3 0 37.95 -999 ? C3 PEG J 2 >GLN~I 55 45.58 24.95 50.74 47.29 25.96 51.56 46.44 25.45 51.15 2 0 34.93 -999 ? C3 PEG J 2 >PRO~I 56 40.15 23.83 50.58 41.08 25.85 50.30 40.61 24.84 50.44 3 0 35.17 -999 ? C3 PEG J 2 >PHE~I 57 37.73 28.25 53.40 35.51 26.61 53.92 36.62 27.43 53.66 3 0 36.24 -999 ? C2 PEG J 2 >THR~I 58 42.61 30.79 50.97 44.62 30.65 51.79 43.61 30.72 51.38 2 0 31.77 -999 ? C3 PEG J 2 >LEU~I 59 42.16 28.75 46.56 42.70 28.20 44.50 42.43 28.47 45.53 3 0 29.10 -999 ? C3 PEG J 2 >ASN~I 60 38.10 30.92 45.57 36.40 32.01 44.88 37.25 31.47 45.23 2 0 26.95 -999 ? C2 PEG J 2 >PRO~I 61 37.04 33.58 50.38 36.77 31.55 49.52 36.91 32.57 49.95 3 0 30.15 -999 ? C2 PEG J 2 >ALA~I 62 33.13 31.76 47.95 32.85 32.78 46.85 32.99 32.27 47.40 2 0 28.80 -999 ? C2 PEG J 2 >LYS~I 63 34.08 28.57 46.16 36.35 24.49 43.63 35.22 26.53 44.89 2 0 32.01 -999 ? C2 PEG J 2 >ALA~I 64 35.19 26.78 49.31 36.38 27.14 50.17 35.78 26.96 49.74 2 0 33.98 -999 ? C2 PEG J 2 >SER~I 65 32.08 27.74 51.24 30.40 29.13 52.17 31.24 28.44 51.71 2 0 35.65 -999 ? C2 PEG J 2 >SER~I 66 29.91 26.51 48.42 28.85 26.42 46.26 29.38 26.47 47.34 2 0 34.23 -999 ? C2 PEG J 2 >ASP~I 67 33.21 22.92 47.62 33.59 23.71 45.68 33.40 23.32 46.65 2 0 34.38 -999 ? C2 PEG J 2 >TYR~I 68 34.17 22.34 52.56 36.67 21.09 52.20 35.42 21.72 52.38 3 0 39.55 -999 ? C2 PEG J 2 >LEU~I 69 27.33 24.75 51.67 25.78 26.18 52.20 26.56 25.47 51.94 3 0 39.26 -999 ? C2 PEG J 2 >GLY~I 70 26.52 21.70 55.14 27.30 21.63 54.97 26.91 21.67 55.06 1 0 43.82 -999 ? C2 PEG J 2 >LYS~I 71 29.46 19.23 55.20 31.28 16.63 49.94 30.37 17.93 52.57 2 0 42.95 -999 ? C2 PEG J 2 >TRP^I 72 28.26 16.61 58.64 27.52 18.15 62.17 27.89 17.38 60.41 3 0 49.77 -999 ? C2 PEG J 2 >VAL^I 73 35.10 18.04 58.75 35.41 20.00 57.73 35.26 19.02 58.24 3 0 45.45 -999 ? C2 PEG J 2 >LYS^I 74 37.30 16.66 61.55 38.96 11.04 63.14 38.13 13.85 62.35 2 0 54.00 -999 ? C3 PEG J 2 >VAL^I 75 40.09 19.10 62.26 40.01 21.03 61.31 40.05 20.06 61.78 3 0 46.52 -999 ? C3 PEG J 2 >ARG^I 76 45.78 15.79 65.22 48.22 14.80 66.82 47.00 15.29 66.02 2 0 53.65 -999 ? C3 PEG J 2 >GLY^I 77 45.08 21.42 66.08 44.75 21.02 66.69 44.92 21.22 66.39 1 0 48.69 -999 ? C3 PEG J 2 >VAL^I 78 46.34 23.26 69.16 48.39 23.58 69.90 47.36 23.42 69.53 3 0 50.39 -999 ? C3 PEG J 2 >ILE^I 79 42.77 24.67 72.12 41.55 24.71 71.48 42.16 24.69 71.80 3 0 51.63 -999 ? C3 PEG J 2 >VAL^I 80 44.85 28.80 71.63 45.69 29.33 69.68 45.27 29.07 70.65 3 0 48.42 -999 ? C3 PEG J 2 >ASP^I 81 41.51 31.81 72.29 40.29 33.16 73.41 40.90 32.49 72.85 2 0 49.44 -999 ? C3 PEG J 2 >ILE^I 82 38.65 28.27 75.80 38.65 26.96 76.21 38.65 27.61 76.00 3 0 54.20 -999 ? C3 PEG J 2 >ARG^I 83 36.59 35.25 73.76 39.09 36.85 74.59 37.84 36.05 74.17 2 0 49.45 -999 ? C3 PEG J 2 >ARG^I 84 30.17 31.25 79.82 27.69 30.26 81.35 28.93 30.75 80.59 2 0 60.17 -999 ? C3 PEG J 2 >LYS^I 85 30.28 34.82 74.95 33.20 38.92 72.75 31.74 36.87 73.85 2 0 48.19 -999 ? C3 PEG J 2 >SER^I 86 26.90 36.51 75.68 27.38 38.16 77.32 27.14 37.33 76.50 2 0 54.26 -999 ? C3 PEG J 2 >GLY~I 87 24.20 35.55 73.20 23.97 36.07 73.78 24.09 35.81 73.49 1 0 52.27 -999 ? C2 PEG J 2 >ILE~I 88 20.73 37.33 70.31 20.70 38.29 69.12 20.72 37.81 69.72 3 0 49.96 -999 ? C2 PEG J 2 >ALA~I 89 17.55 36.10 73.27 16.72 35.41 72.15 17.13 35.75 72.71 2 0 54.51 -999 ? C2 PEG J 2 >GLY~I 90 18.73 34.95 76.78 19.13 34.76 76.13 18.93 34.86 76.46 1 0 57.68 -999 ? C2 PEG J 2 >SER~I 91 21.45 32.57 75.52 21.79 32.83 73.15 21.62 32.70 74.34 2 0 53.98 -999 ? C2 PEG J 2 >TYR^I 92 25.72 30.79 77.90 25.60 28.38 79.30 25.66 29.58 78.60 3 0 58.58 -999 ? C2 PEG J 2 >TYR^I 93 27.92 31.69 71.55 28.93 34.03 70.42 28.42 32.86 70.99 3 0 49.84 -999 ? C2 PEG J 2 >PHE^I 94 31.34 28.03 75.46 30.06 27.34 77.84 30.70 27.69 76.65 3 0 56.20 -999 ? C3 PEG J 2 >ILE^I 95 34.47 31.75 70.32 34.02 31.61 68.91 34.24 31.68 69.61 3 0 47.52 -999 ? C3 PEG J 2 >VAL^I 96 37.10 27.94 70.70 37.06 25.92 71.47 37.08 26.93 71.08 3 0 50.41 -999 ? C3 PEG J 2 >THR^I 97 39.99 29.00 68.48 40.32 31.03 68.08 40.16 30.01 68.28 2 0 45.46 -999 ? C3 PEG J 2 >MET?I 98 42.56 26.57 67.06 41.71 22.72 65.35 42.14 24.65 66.21 2 0 47.41 -999 ? C3 PEG J 2 >ARG^I 99 49.24 27.80 67.12 51.15 25.65 68.27 50.19 26.73 67.70 2 0 48.47 -999 ? C3 PEG J 2 >ASP~I 100 48.47 25.01 61.55 49.16 23.35 60.39 48.82 24.18 60.97 2 0 43.27 -999 ? C3 PEG J 2 >GLU~I 101 50.06 19.84 66.10 49.58 17.77 66.12 49.82 18.80 66.11 2 0 51.26 -999 ? C3 PEG J 2 >GLN~I 102 53.50 20.36 63.06 55.22 19.12 63.38 54.36 19.74 63.22 2 0 49.21 -999 ? C3 PEG J 2 >ASN~I 103 53.33 27.43 63.09 53.01 27.60 65.20 53.17 27.52 64.15 2 0 45.17 -999 ? C3 PEG J 2 >THR~I 105 49.56 28.71 58.44 47.37 28.62 58.27 48.46 28.66 58.35 2 0 38.20 -999 ? C3 PEG J 2 >LYS~I 107 45.42 31.72 60.17 44.30 33.26 54.03 44.86 32.49 57.10 2 0 31.97 -999 ? C3 PEG J 2 >ARG~I 108 45.10 31.56 65.32 47.34 32.38 67.29 46.22 31.97 66.30 2 0 44.01 -999 ? C3 PEG J 2 >LEU^I 109 40.23 26.73 62.38 38.65 25.63 61.36 39.44 26.18 61.87 3 0 42.80 -999 ? C3 PEG J 2 >THR^I 110 37.26 28.97 65.11 36.99 31.10 64.85 37.13 30.04 64.98 2 0 43.05 -999 ? C3 PEG J 2 >PHE^I 111 35.77 24.65 66.35 37.44 22.96 64.90 36.61 23.81 65.63 3 0 47.60 -999 ? C3 PEG J 2 >ASN^I 112 30.24 28.78 66.99 28.61 29.79 67.94 29.42 29.28 67.46 2 0 48.38 -999 ? C2 PEG J 2 >PHE^I 113 31.71 24.24 71.28 33.79 22.61 70.42 32.75 23.42 70.85 3 0 52.81 -999 ? C3 PEG J 2 >GLY^I 114 26.24 26.26 71.88 26.87 25.83 72.25 26.56 26.04 72.06 1 0 53.98 -999 ? C2 PEG J 2 >SER~I 115 25.43 26.21 75.62 23.05 26.86 75.58 24.24 26.54 75.60 2 0 57.85 -999 ? C2 PEG J 2 >HIS~I 116 23.68 22.15 73.04 24.29 22.09 71.02 23.99 22.12 72.03 3 0 56.81 -999 ? C2 PEG J 2 >ASN~I 117 28.23 21.38 73.34 29.37 19.68 72.84 28.80 20.53 73.09 2 0 57.25 -999 ? C2 PEG J 2 >SER~I 118 29.62 23.22 77.65 28.12 23.31 79.59 28.87 23.27 78.62 2 0 61.32 -999 ? C3 PEG J 2 >ALA~I 119 31.08 19.96 78.95 30.33 18.69 79.20 30.70 19.33 79.08 2 0 62.70 -999 ? C3 PEG J 2 >ASP~I 120 32.69 19.46 74.28 32.08 17.53 73.62 32.39 18.49 73.95 2 0 58.45 -999 ? C3 PEG J 2 >VAL~I 121 34.44 23.07 76.03 33.72 24.95 75.18 34.08 24.01 75.61 3 0 56.22 -999 ? C3 PEG J 2 >GLU~I 122 33.40 23.99 81.02 31.76 24.05 82.37 32.58 24.02 81.70 2 0 62.52 -999 ? C3 PEG J 2 >ALA~I 123 37.45 19.78 79.10 36.90 18.45 78.54 37.17 19.11 78.82 2 0 61.10 -999 ? C3 PEG J 2 >LEU~I 124 39.05 22.40 75.39 38.38 21.49 73.55 38.72 21.95 74.47 3 0 55.60 -999 ? C3 PEG J 2 >SER~I 125 42.80 23.39 77.49 44.52 22.94 79.20 43.66 23.16 78.34 2 0 58.85 -999 ? C3 PEG J 2 >ASN~I 126 44.80 27.80 76.40 43.03 28.90 76.01 43.91 28.35 76.20 2 0 53.33 -999 ? C3 PEG J 2 >GLY~I 127 48.08 25.04 74.58 47.41 24.56 74.51 47.74 24.80 74.54 1 0 53.89 -999 ? C3 PEG J 2 >SER~I 128 46.85 21.47 74.10 46.72 21.11 76.49 46.78 21.29 75.29 2 0 57.46 -999 ? C3 PEG J 2 >VAL^I 129 46.08 19.47 70.97 47.26 18.19 69.62 46.67 18.83 70.29 3 0 53.64 -999 ? C3 PEG J 2 >ALA^I 130 42.41 18.72 70.30 41.44 19.73 70.90 41.93 19.22 70.60 2 0 53.66 -999 ? C3 PEG J 2 >THR^I 131 40.48 17.05 67.45 41.23 15.39 66.30 40.86 16.22 66.88 2 0 52.89 -999 ? C3 PEG J 2 >ILE^I 132 36.91 20.01 67.27 36.56 21.05 68.19 36.74 20.53 67.73 3 0 51.18 -999 ? C3 PEG J 2 >VAL^I 133 34.37 17.66 64.32 33.46 15.87 63.51 33.91 16.76 63.92 3 0 51.25 -999 ? C2 PEG J 2 >GLY^I 134 32.30 20.55 63.04 32.48 20.05 62.41 32.39 20.30 62.72 1 0 48.46 -999 ? C2 PEG J 2 >GLN^I 135 27.74 21.25 59.17 25.72 20.73 59.38 26.73 20.99 59.28 2 0 47.58 -999 ? C2 PEG J 2 >VAL~I 136 30.53 24.33 57.67 32.15 24.43 56.20 31.34 24.38 56.93 3 0 41.77 -999 ? C2 PEG J 2 >HIS~I 137 26.34 26.44 59.29 25.18 25.15 60.47 25.76 25.79 59.88 3 0 44.88 -999 ? C2 PEG J 2 >GLN~I 138 26.82 31.20 52.83 26.57 29.83 51.19 26.69 30.52 52.01 2 0 36.06 -999 ? C2 PEG J 2 >VAL~I 139 30.77 32.02 55.12 32.82 31.44 55.28 31.80 31.73 55.20 3 0 35.99 -999 ? C2 PEG J 2 >GLN~I 140 27.64 35.19 53.61 25.74 36.00 53.13 26.69 35.60 53.37 2 0 34.69 -999 ? C2 PEG J 2 >ASP~I 141 30.64 39.69 56.54 28.79 40.06 55.62 29.71 39.87 56.08 2 0 33.80 -999 ? C2 PEG J 2 >SER~I 142 34.68 36.89 56.25 33.09 35.36 57.16 33.89 36.12 56.70 2 0 35.47 -999 ? C2 PEG J 2 >THR~I 143 36.98 34.47 54.46 38.56 35.77 54.01 37.77 35.12 54.23 2 0 31.23 -999 ? C3 PEG J 2 >ILE~I 144 38.52 32.07 58.24 39.78 31.88 58.86 39.15 31.97 58.56 3 0 36.89 -999 ? C3 PEG J 2 >PRO~I 145 35.72 27.80 57.50 35.25 29.91 58.07 35.49 28.85 57.78 3 0 38.72 -999 ? C3 PEG J 2 >THR^I 146 33.58 29.34 61.94 33.22 30.69 63.50 33.40 30.01 62.72 2 0 42.96 -999 ? C3 PEG J 2 >LEU^I 147 33.59 24.57 62.42 34.64 23.90 60.61 34.12 24.23 61.52 3 0 44.66 -999 ? C3 PEG J 2 >GLN^I 148 28.13 26.89 62.41 28.51 28.50 63.72 28.32 27.70 63.06 2 0 45.49 -999 ? C2 PEG J 2 >ASN^I 149 26.37 21.65 64.93 24.74 23.04 64.55 25.56 22.35 64.74 2 0 50.27 -999 ? C2 PEG J 2 >PRO^I 150 31.31 23.13 67.45 30.24 21.27 66.80 30.77 22.20 67.13 3 0 50.96 -999 ? C2 PEG J 2 >VAL^I 152 35.24 17.21 70.58 36.50 18.16 72.14 35.87 17.68 71.36 3 0 55.87 -999 ? C3 PEG J 2 >VAL~I 153 36.38 13.73 69.53 36.47 13.78 67.36 36.43 13.75 68.45 3 0 56.08 -999 ? C3 PEG J 2 >LYS~I 154 38.16 11.64 72.19 34.93 15.20 76.33 36.55 13.42 74.26 2 0 61.41 -999 ? C3 PEG J 2 >GLN~J 36 27.31 42.41 30.45 27.40 41.22 32.25 27.36 41.82 31.35 2 0 18.85 -999 ? C2 PEG J 2 >PRO~J 37 29.67 45.58 27.15 28.00 44.13 26.78 28.83 44.85 26.96 3 0 14.53 -999 ? O1 PEG J 2 >GLY~J 38 28.24 40.56 24.32 28.92 41.02 24.48 28.58 40.79 24.40 1 0 17.47 -999 ? O1 PEG J 2 >ASP~J 39 30.98 36.56 24.52 30.30 36.03 26.51 30.64 36.30 25.51 2 0 19.34 -999 ? C2 PEG J 2 >ASP~J 40 31.27 39.37 19.54 30.99 37.55 18.47 31.13 38.46 19.01 2 0 19.09 -999 ? O1 PEG J 2 >ALA~J 41 32.34 42.85 21.82 31.13 43.74 22.16 31.73 43.30 21.99 2 0 13.52 -999 ? O1 PEG J 2 >VAL~J 42 34.16 41.83 25.06 33.57 40.95 26.96 33.87 41.39 26.01 3 0 12.97 -999 ? C2 PEG J 2 >ALA~J 43 37.01 40.12 23.17 36.89 38.74 22.52 36.95 39.43 22.85 2 0 14.14 -999 ? C2 PEG J 2 >SER~J 44 37.51 43.10 20.80 35.43 44.12 20.00 36.47 43.61 20.40 2 0 11.21 -999 ? O1 PEG J 2 >MET?J 45 38.10 45.54 23.67 34.81 45.58 26.48 36.45 45.56 25.07 2 0 9.33 -999 ? O1 PEG J 2 >GLN~J 46 42.19 48.36 22.56 42.63 50.33 21.82 42.41 49.34 22.19 2 0 -4.06 -999 ? O1 PEG J 2s >THR~J 47 42.74 45.70 27.91 43.18 43.64 28.47 42.96 44.67 28.19 2 0 7.33 -999 ? O2 PEG J 2 >TYR^J 48 42.08 50.25 30.81 40.59 52.38 29.69 41.34 51.31 30.25 3 0 3.72 -999 ? C2 PEG J 2 >SER^J 49 46.24 47.35 33.32 47.86 49.04 33.32 47.05 48.19 33.32 2 0 6.84 -999 ? C3 PEG J 2 >VAL~J 50 45.11 48.54 36.76 44.60 47.55 38.64 44.85 48.05 37.70 3 0 10.58 -999 ? C3 PEG J 2 >ALA~J 51 47.65 51.37 36.83 49.14 51.23 36.69 48.40 51.30 36.76 2 0 10.04 -999 ? C3 PEG J 2 >GLN~J 52 47.99 51.61 31.56 48.21 50.28 29.86 48.10 50.94 30.71 2 0 3.97 -999 ? C4 PEG J 2 >PHE~J 53 40.48 51.74 35.04 37.87 52.31 35.83 39.17 52.03 35.44 3 0 9.38 -999 ? C2 PEG J 2 >LEU~J 54 43.72 53.64 39.09 42.41 52.29 40.23 43.07 52.97 39.66 3 0 12.26 -999 ? C3 PEG J 2 >GLN~J 55 47.39 58.11 34.81 48.69 58.93 36.35 48.04 58.52 35.58 2 0 11.92 -999 ? C4 PEG J 2 >PRO~J 56 42.05 57.95 34.13 43.40 58.95 35.62 42.72 58.45 34.87 3 0 10.39 -999 ? C3 PEG J 2 >PHE~J 57 39.61 57.10 38.76 37.33 56.47 37.34 38.47 56.79 38.05 3 0 13.26 -999 ? C1 PEG J 2 >THR~J 58 44.66 59.64 40.82 46.42 58.43 41.02 45.54 59.04 40.92 2 0 15.26 -999 ? C3 PEG J 2 >LEU~J 59 44.92 63.19 37.56 46.91 63.14 36.57 45.91 63.17 37.06 3 0 15.01 -999 ? C4 PEG J 2 >ASN~J 60 40.76 65.14 38.73 39.14 66.34 39.41 39.95 65.74 39.07 2 0 19.54 -999 ? C1 PEG J 2 >PRO~J 61 39.40 61.40 42.74 38.97 61.84 40.58 39.18 61.62 41.66 3 0 18.30 -999 ? C3 PEG J 2 >ALA~J 62 35.54 63.73 40.11 35.29 65.09 40.76 35.41 64.41 40.43 2 0 20.60 -999 ? C1 PEG J 2 >LYS~J 63 36.61 64.35 36.48 39.43 65.02 31.81 38.02 64.68 34.15 2 0 14.17 -999 ? C1 PEG J 2 >ALA~J 64 37.60 60.72 35.80 38.61 59.93 36.60 38.10 60.33 36.20 2 0 13.43 -999 ? C1 PEG J 2 >SER~J 65 34.25 59.53 37.21 32.40 59.39 38.76 33.32 59.46 37.98 2 0 17.49 -999 ? C1 PEG J 2 >SER~J 66 32.33 61.92 34.98 31.67 64.04 34.17 32.00 62.98 34.57 2 0 17.69 -999 ? O1 PEG J 2 >ASP~J 67 35.83 61.21 31.59 36.43 63.22 31.52 36.13 62.22 31.56 2 0 13.46 -999 ? C1 PEG J 2 >TYR~J 68 36.14 56.23 32.78 38.59 55.57 31.65 37.37 55.90 32.22 3 0 8.56 -999 ? C1 PEG J 2 >LEU~J 69 29.44 58.64 34.12 27.96 58.55 35.73 28.70 58.59 34.92 3 0 17.14 -999 ? O1 PEG J 2 >GLY~J 70 28.33 54.43 32.33 29.12 54.49 32.25 28.72 54.46 32.29 1 0 14.94 -999 ? O1 PEG J 2 >LYS~J 71 31.30 53.09 30.36 31.33 57.70 28.09 31.31 55.39 29.23 2 0 11.71 -999 ? O1 PEG J 2 >TRP^J 72 29.49 49.15 28.95 28.51 46.52 31.65 29.00 47.84 30.30 3 0 13.98 -999 ? O1 PEG J 2 >VAL^J 73 36.32 48.87 30.78 36.73 50.39 32.24 36.53 49.63 31.51 3 0 7.80 -999 ? C2 PEG J 2 >LYS^J 74 38.31 45.59 30.62 39.32 41.61 26.11 38.82 43.60 28.37 2 0 9.94 -999 ? C2 PEG J 2 >VAL^J 75 40.98 45.38 33.31 40.94 46.98 34.81 40.96 46.18 34.06 3 0 8.89 -999 ? C2 PEG J 2 >ARG^J 76 46.32 41.22 31.54 47.68 38.46 31.56 47.00 39.84 31.55 2 0 13.69 -999 ? O2 PEG J 2 >GLY^J 77 45.34 42.35 37.28 44.98 41.63 37.09 45.16 41.99 37.19 1 0 13.17 -999 ? C3 PEG J 2 >VAL^J 78 46.27 40.03 40.11 48.25 39.33 40.72 47.26 39.68 40.42 3 0 17.45 -999 ? C3 PEG J 2 >ILE^J 79 42.30 37.98 42.03 41.04 38.72 41.84 41.67 38.35 41.93 3 0 19.54 -999 ? C3 PEG J 2 >VAL^J 80 44.16 39.82 45.94 45.16 41.75 45.83 44.66 40.78 45.88 3 0 21.06 -999 ? C3 PEG J 2 >ASP^J 81 40.67 40.23 48.69 39.39 39.65 50.25 40.03 39.94 49.47 2 0 26.01 -999 ? C3 PEG J 2 >ILE^J 82 37.59 36.09 46.17 37.56 35.25 45.01 37.57 35.67 45.59 3 0 24.78 -999 ? C2 PEG J 2 >ARG^J 83 35.97 40.31 52.05 38.07 39.85 54.21 37.02 40.08 53.13 2 0 29.71 -999 ? C3 PEG J 2 >ARG^J 84 28.58 34.14 50.07 26.02 32.66 49.33 27.30 33.40 49.70 2 0 33.45 -999 ? C2 PEG J 2 >LYS^J 85 29.17 39.77 51.66 31.73 43.37 54.54 30.45 41.57 53.10 2 0 30.78 -999 ? C2 PEG J 2 >SER^J 86 25.76 40.24 53.28 25.66 39.10 55.33 25.71 39.67 54.30 2 0 35.26 -999 ? C2 PEG J 2 >GLY~J 87 23.40 42.46 51.38 23.10 42.11 52.08 23.25 42.28 51.73 1 0 32.35 -999 ? C2 PEG J 2 >ILE~J 88 20.25 46.11 51.99 20.44 47.49 52.21 20.34 46.80 52.10 3 0 33.96 -999 ? C2 PEG J 2 >ALA~J 89 16.82 43.31 51.55 16.27 44.23 50.45 16.55 43.77 51.00 2 0 36.04 -999 ? C2 PEG J 2 >GLY~J 90 17.62 39.53 51.70 18.10 40.02 51.34 17.86 39.78 51.52 1 0 37.09 -999 ? C2 PEG J 2 >SER~J 91 20.49 39.64 49.21 20.92 42.04 49.08 20.71 40.84 49.15 2 0 32.36 -999 ? C2 PEG J 2 >TYR^J 92 24.43 36.29 48.58 24.04 34.23 46.77 24.23 35.26 47.68 3 0 31.95 -999 ? C2 PEG J 2 >TYR^J 93 27.37 42.31 47.60 28.45 44.00 49.55 27.91 43.16 48.57 3 0 27.42 -999 ? C2 PEG J 2 >PHE^J 94 30.35 37.20 45.49 28.77 34.86 45.57 29.56 36.03 45.53 3 0 27.30 -999 ? C2 PEG J 2 >ILE^J 95 34.01 42.82 47.43 33.62 44.32 47.03 33.81 43.57 47.23 3 0 23.47 -999 ? C2 PEG J 2 >VAL^J 96 36.69 41.00 44.11 36.69 39.58 42.54 36.69 40.29 43.32 3 0 20.57 -999 ? C2 PEG J 2 >THR^J 97 39.88 43.06 44.62 40.21 44.17 46.44 40.04 43.61 45.53 2 0 20.63 -999 ? C3 PEG J 2 >MET?J 98 42.69 43.31 42.06 41.97 43.74 37.85 42.33 43.53 39.96 2 0 13.02 -999 ? C3 PEG J 2 >ARG^J 99 49.11 43.08 43.78 51.06 41.35 42.09 50.08 42.21 42.94 2 0 18.63 -999 ? C3 PEG J 2 >ASP~J 100 49.00 47.37 39.12 49.85 47.63 37.21 49.42 47.50 38.16 2 0 11.43 -999 ? C3 PEG J 2 >GLU~J 101 50.50 41.35 35.90 49.86 40.47 34.06 50.18 40.91 34.98 2 0 13.56 -999 ? C3 PEG J 2 >GLN~J 102 53.71 44.64 35.29 54.60 45.47 33.52 54.16 45.05 34.41 2 0 12.25 -999 ? O4 PEG J 2 >ASN~J 103 53.89 46.45 42.02 53.29 44.62 42.95 53.59 45.54 42.49 2 0 18.74 -999 ? C3 PEG J 2 >THR~J 105 50.45 51.60 41.56 48.28 51.88 41.42 49.36 51.74 41.49 2 0 14.23 -999 ? C3 PEG J 2 >ASP~J 106 50.39 51.18 46.42 50.11 53.32 46.69 50.25 52.25 46.56 2 0 19.89 -999 ? C3 PEG J 2 >LYS~J 107 45.96 51.26 44.69 44.77 57.28 44.40 45.36 54.27 44.54 2 0 17.80 -999 ? C3 PEG J 2 >ARG~J 108 45.46 46.81 45.99 48.37 46.01 46.54 46.91 46.41 46.27 2 0 19.95 -999 ? C3 PEG J 2 >LEU^J 109 40.77 47.95 40.54 39.33 48.58 39.03 40.05 48.27 39.78 3 0 13.39 -999 ? C3 PEG J 2 >THR^J 110 37.41 46.41 43.27 37.07 47.45 45.10 37.24 46.93 44.18 2 0 19.47 -999 ? C2 PEG J 2 >PHE^J 111 35.94 44.07 39.57 37.98 44.63 37.79 36.96 44.35 38.68 3 0 14.75 -999 ? C2 PEG J 2 >ASN^J 112 30.25 45.39 43.38 28.51 45.00 44.50 29.38 45.20 43.94 2 0 23.41 -999 ? C2 PEG J 2 >PHE^J 113 31.31 39.68 40.54 33.57 39.58 38.88 32.44 39.63 39.71 3 0 19.98 -999 ? C2 PEG J 2 >GLY^J 114 25.68 40.34 42.25 26.32 39.80 42.05 26.00 40.07 42.15 1 0 25.27 -999 ? C2 PEG J 2 >SER~J 115 24.52 36.94 43.48 22.23 37.44 44.05 23.38 37.19 43.76 2 0 29.93 -999 ? C2 PEG J 2 >HIS~J 116 23.06 38.25 38.77 23.84 40.12 38.23 23.45 39.18 38.50 3 0 25.35 -999 ? C2 PEG J 2 >ASN~J 117 27.61 37.18 38.18 28.92 36.65 36.59 28.27 36.91 37.39 2 0 22.10 -999 ? C2 PEG J 2 >SER~J 118 28.49 33.69 41.53 27.08 31.93 42.25 27.78 32.81 41.89 2 0 29.03 -999 ? C2 PEG J 2 >ALA~J 119 29.66 31.18 38.88 28.95 30.73 37.60 29.30 30.95 38.24 2 0 26.71 -999 ? C2 PEG J 2 >ASP~J 120 32.00 35.13 37.15 31.63 35.15 35.07 31.81 35.14 36.11 2 0 20.96 -999 ? C2 PEG J 2 >VAL~J 121 33.34 34.49 41.28 32.60 35.96 42.74 32.97 35.23 42.01 3 0 23.94 -999 ? C2 PEG J 2 >GLU~J 122 31.59 30.25 43.47 29.97 28.99 43.91 30.78 29.62 43.69 2 0 30.60 -999 ? C2 PEG J 2 >ALA~J 123 36.02 30.35 39.21 35.51 30.21 37.76 35.77 30.28 38.48 2 0 24.54 -999 ? C2 PEG J 2 >LEU~J 124 38.20 34.42 40.70 37.74 36.10 39.43 37.97 35.26 40.06 3 0 21.10 -999 ? C2 PEG J 2 >SER~J 125 41.64 32.33 42.42 41.82 30.22 41.21 41.73 31.27 41.82 2 0 25.22 -999 ? O2 PEG J 2 >ASN~J 126 43.38 34.64 46.38 41.61 35.50 47.19 42.50 35.07 46.79 2 0 25.33 -999 ? C3 PEG J 2 >GLY~J 127 46.90 35.36 43.55 46.28 35.32 43.03 46.59 35.34 43.29 1 0 22.62 -999 ? C3 PEG J 2 >SER~J 128 45.95 34.75 39.90 45.45 32.37 39.93 45.70 33.56 39.91 2 0 22.58 -999 ? C3 PEG J 2 >VAL^J 129 45.86 37.18 37.01 47.21 37.78 35.39 46.53 37.48 36.20 3 0 16.35 -999 ? C3 PEG J 2 >ALA^J 130 42.28 37.72 35.83 41.25 37.52 36.85 41.77 37.62 36.34 2 0 16.88 -999 ? C2 PEG J 2 >THR^J 131 40.72 40.01 33.24 41.66 40.31 31.31 41.19 40.16 32.27 2 0 11.62 -999 ? O2 PEG J 2 >ILE^J 132 37.15 41.52 35.75 36.64 40.94 37.02 36.89 41.23 36.39 3 0 14.83 -999 ? C2 PEG J 2 >VAL^J 133 35.03 43.68 32.32 34.49 43.54 30.23 34.76 43.61 31.28 3 0 11.65 -999 ? C2 PEG J 2 >GLY^J 134 33.01 46.14 34.37 33.26 46.52 33.69 33.14 46.33 34.03 1 0 13.14 -999 ? C2 PEG J 2 >GLN^J 135 28.85 50.40 33.41 26.77 50.23 33.01 27.81 50.32 33.21 2 0 16.59 -999 ? O1 PEG J 2 >VAL~J 136 31.83 52.54 35.94 33.53 53.88 35.68 32.68 53.21 35.81 3 0 13.59 -999 ? C2 PEG J 2 >HIS~J 137 27.32 52.10 38.16 26.12 50.61 37.28 26.72 51.35 37.72 3 0 19.23 -999 ? O1 PEG J 2 >GLN~J 138 28.37 59.55 40.77 28.84 60.67 39.01 28.60 60.11 39.89 2 0 20.36 -999 ? C1 PEG J 2 >VAL~J 139 32.25 57.32 42.29 34.30 56.76 41.75 33.28 57.04 42.02 3 0 18.83 -999 ? C1 PEG J 2 >GLN~J 140 29.19 59.82 44.64 27.40 60.90 45.09 28.29 60.36 44.86 2 0 25.54 -999 ? C1 PEG J 2 >ASP~J 141 31.79 58.08 49.93 30.07 59.27 50.09 30.93 58.67 50.01 2 0 27.73 -999 ? C2 PEG J 2 >SER~J 142 35.99 57.23 47.50 34.69 55.73 46.10 35.34 56.48 46.80 2 0 21.42 -999 ? C2 PEG J 2 >THR~J 143 38.57 58.17 44.92 40.18 58.79 46.16 39.37 58.48 45.54 2 0 20.51 -999 ? C3 PEG J 2 >ILE~J 144 39.58 53.72 43.82 40.71 53.02 44.05 40.15 53.37 43.93 3 0 17.08 -999 ? C3 PEG J 2 >PRO~J 145 36.80 53.35 39.44 36.39 53.45 41.63 36.59 53.40 40.53 3 0 15.21 -999 ? C2 PEG J 2 >THR^J 146 34.19 49.81 42.37 33.44 49.05 44.21 33.82 49.43 43.29 2 0 19.78 -999 ? C2 PEG J 2 >LEU^J 147 34.13 47.86 37.90 35.54 49.06 36.75 34.83 48.46 37.32 3 0 13.33 -999 ? C2 PEG J 2 >GLN^J 148 28.68 49.22 39.74 28.71 48.47 41.72 28.70 48.85 40.73 2 0 20.55 -999 ? C2 PEG J 2 >ASN^J 149 26.99 45.04 35.56 25.36 46.12 36.36 26.17 45.58 35.96 2 0 20.30 -999 ? C2 PEG J 2 >PRO^J 150 31.47 42.80 38.27 30.54 42.91 36.25 31.01 42.86 37.26 3 0 17.61 -999 ? C2 PEG J 2 >VAL^J 152 35.09 37.56 34.03 35.93 36.37 35.67 35.51 36.97 34.85 3 0 17.65 -999 ? C2 PEG J 2 >VAL~J 153 36.76 37.25 30.62 37.31 38.76 29.19 37.03 38.01 29.91 3 0 14.45 -999 ? C2 PEG J 2 >LYS~J 154 37.73 33.60 30.05 34.30 32.20 34.58 36.01 32.90 32.32 2 0 21.96 -999 ? C2 PEG J 2