REMARK SOURCE hebe.pdb HEADER OXIDOREDUCTASE 12-JUN-08 3DFU COMPND UNCHARACTERIZED PROTEIN FROM 6-PHOSPHOGLUCONATE COMPND 3 DEHYDROGENASE-LIKE FAMILY; COMPND 4 CHAIN: A, B; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; SOURCE 3 ORGANISM_COMMON: BREVIBACTERIUM FLAVUM; SOURCE 4 ORGANISM_TAXID: 1718; SOURCE 5 ATCC: 13032; SOURCE 6 GENE: NP_601885.1, CGL2689, CG2976; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; 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 20 8 HET MSE A 69 8 HET MSE A 82 8 HET MSE A 93 8 HET MSE A 174 13 HET MSE B 1 8 HET MSE B 20 8 HET MSE B 69 8 HET MSE B 82 8 HET MSE B 93 8 HET MSE B 174 13 HET GOL A 232 6 SITE 1 AC1 5 PRO A 4 LEU A 111 LEU A 119 GLU A 122 >GLN.A 2 145.28 33.86 29.98 143.76 34.19 28.50 144.52 34.02 29.24 2 0 8.43 -999 ? O2 GOL A 232 >ALA.A 3 149.50 32.01 30.48 149.58 30.67 31.21 149.54 31.34 30.84 2 0 3.80 -999 ? O2 GOL A 232 >PRO.A 4 152.28 30.73 27.32 150.08 31.10 27.52 151.18 30.91 27.42 3 0 -4.85 -999 ? O2 GOL A 232s >ARG.A 5 144.43 31.22 26.11 144.91 30.09 28.99 144.67 30.65 27.55 2 0 4.64 -999 ? O2 GOL A 232 >LEU.A 6 147.31 24.96 24.66 148.82 24.45 26.13 148.07 24.70 25.39 3 0 4.98 -999 ? O2 GOL A 232 >VAL^A 8 144.21 21.47 21.93 143.53 21.63 24.01 143.87 21.55 22.97 3 0 10.00 -999 ? O2 GOL A 232 >GLY^A 9 143.05 18.35 20.01 143.07 18.39 20.92 143.06 18.37 20.47 1 0 14.27 -999 ? O2 GOL A 232 >ILE^A 10 139.28 17.35 22.66 138.99 17.85 24.13 139.13 17.60 23.40 3 0 14.53 -999 ? O3 GOL A 232 >PHE^A 11 140.78 11.72 20.31 142.59 11.88 18.16 141.68 11.80 19.24 3 0 19.55 -999 ? C1 GOL A 232 >ASP.A 12 134.79 14.11 22.78 132.98 14.29 23.88 133.88 14.20 23.33 2 0 20.23 -999 ? O3 GOL A 232 >ASP.A 13 133.88 8.27 21.71 134.32 7.39 23.61 134.10 7.83 22.66 2 0 24.30 -999 ? C3 GOL A 232 >GLY.A 14 130.17 10.50 24.01 130.80 10.10 24.28 130.48 10.30 24.15 1 0 24.55 -999 ? O3 GOL A 232 >SER.A 15 131.35 8.19 26.86 133.72 7.64 26.58 132.54 7.91 26.72 2 0 23.69 -999 ? C3 GOL A 232 >SER.A 16 132.39 11.10 29.14 134.06 12.67 29.97 133.22 11.89 29.56 2 0 19.17 -999 ? O3 GOL A 232 >THR.A 17 130.24 13.84 30.68 128.97 12.74 32.06 129.60 13.29 31.37 2 0 22.82 -999 ? O3 GOL A 232 >VAL.A 18 133.28 16.06 31.62 135.30 15.61 32.40 134.29 15.83 32.01 3 0 16.74 -999 ? O3 GOL A 232 >ASN~A 19 131.57 19.19 28.73 129.70 18.27 28.27 130.63 18.73 28.50 2 0 19.51 -999 ? O3 GOL A 232 >MET?A 20 136.54 19.07 28.54 139.01 19.66 30.60 137.77 19.36 29.57 2 0 10.70 -999 ? O3 GOL A 232 >ALA~A 21 136.24 20.67 25.05 135.59 20.05 23.80 135.92 20.36 24.43 2 0 15.30 -999 ? O3 GOL A 232 >GLU~A 22 131.41 24.07 27.18 129.42 23.59 27.84 130.42 23.83 27.51 2 0 18.20 -999 ? O3 GOL A 232 >LYS~A 23 135.73 23.81 29.52 132.96 20.51 32.84 134.35 22.16 31.18 2 0 15.39 -999 ? O3 GOL A 232 >LEU~A 24 140.00 23.40 27.11 141.43 22.23 28.29 140.72 22.81 27.70 3 0 8.32 -999 ? O3 GOL A 232 >ASP~A 25 136.29 25.98 23.99 135.48 27.50 22.74 135.89 26.74 23.37 2 0 14.47 -999 ? O3 GOL A 232 >SER~A 26 135.71 28.67 27.74 135.55 27.59 29.92 135.63 28.13 28.83 2 0 11.55 -999 ? O3 GOL A 232 >VAL~A 27 139.14 29.88 28.98 139.66 28.39 30.50 139.40 29.13 29.74 3 0 8.13 -999 ? O3 GOL A 232 >GLY.A 28 140.49 30.79 25.49 140.58 30.07 25.68 140.53 30.43 25.59 1 0 9.72 -999 ? O2 GOL A 232 >HIS.A 29 143.45 26.54 26.36 144.76 26.84 27.97 144.10 26.69 27.16 3 0 5.16 -999 ? O2 GOL A 232 >TYR^A 30 143.85 28.52 19.99 144.98 31.04 20.52 144.41 29.78 20.25 3 0 10.48 -999 ? O2 GOL A 232 >VAL^A 31 140.14 23.54 20.88 139.18 22.92 22.75 139.66 23.23 21.81 3 0 12.55 -999 ? O2 GOL A 232 >THR^A 32 139.42 21.22 17.94 140.30 21.49 15.98 139.86 21.35 16.96 2 0 16.98 -999 ? O2 GOL A 232 >VAL^A 33 137.57 17.89 18.35 135.65 17.27 19.20 136.61 17.58 18.78 3 0 18.81 -999 ? O3 GOL A 232 >LEU.A 34 141.01 14.93 16.91 142.64 16.39 16.79 141.82 15.66 16.85 3 0 18.57 -999 ? O2 GOL A 232 >HIS.A 35 136.39 13.55 13.77 134.95 14.89 14.50 135.67 14.22 14.13 3 0 24.06 -999 ? O2 GOL A 232 >ALA~A 36 141.54 10.25 13.55 141.88 10.34 12.09 141.71 10.30 12.82 2 0 25.05 -999 ? C1 GOL A 232 >PRO~A 37 143.87 7.17 15.65 144.04 9.36 15.29 143.96 8.26 15.47 3 0 23.56 -999 ? C1 GOL A 232 >GLU~A 38 145.99 10.47 10.63 144.60 8.86 10.70 145.29 9.66 10.66 2 0 26.21 -999 ? O1 GOL A 232 >ASP~A 39 143.82 14.58 13.21 143.00 13.84 11.37 143.41 14.21 12.29 2 0 23.16 -999 ? O1 GOL A 232 >ILE~A 40 147.59 14.08 17.80 147.75 12.82 18.45 147.67 13.45 18.13 3 0 17.27 -999 ? C1 GOL A 232 >PHE~A 43 146.06 19.47 17.80 144.06 20.17 15.98 145.06 19.82 16.89 3 0 15.11 -999 ? O1 GOL A 232 >GLU.A 44 151.13 23.11 20.82 150.66 25.16 20.78 150.90 24.14 20.80 2 0 8.46 -999 ? O1 GOL A 232 >LEU^A 45 147.16 20.11 25.17 146.34 19.44 27.14 146.75 19.78 26.16 3 0 7.87 -999 ? C1 GOL A 232 >VAL^A 46 145.90 16.10 23.24 146.50 14.71 21.66 146.20 15.41 22.45 3 0 13.39 -999 ? C1 GOL A 232 >VAL^A 47 142.92 15.29 25.47 141.91 16.77 26.71 142.41 16.03 26.09 3 0 12.51 -999 ? C3 GOL A 232 >ILE^A 48 142.20 10.48 26.13 142.83 9.23 25.84 142.51 9.85 25.99 3 0 17.79 -999 ? C3 GOL A 232 >ASP.A 49 137.37 14.23 26.81 135.78 14.75 28.13 136.57 14.49 27.47 2 0 16.76 -999 ? O3 GOL A 232 >ALA.A 50 136.57 9.31 27.09 136.91 8.80 25.70 136.74 9.06 26.39 2 0 21.17 -999 ? C3 GOL A 232 >HIS.A 51 135.14 4.16 30.37 135.42 2.52 31.65 135.28 3.34 31.01 3 0 25.92 -999 ? C3 GOL A 232 >GLY~A 52 138.19 3.79 26.82 138.43 4.55 27.01 138.31 4.17 26.91 1 0 24.62 -999 ? C3 GOL A 232 >VAL~A 53 141.58 5.39 27.61 142.20 6.77 29.22 141.89 6.08 28.42 3 0 20.95 -999 ? C3 GOL A 232 >GLU~A 54 142.55 0.28 27.95 141.68 1.08 29.72 142.11 0.68 28.83 2 0 25.67 -999 ? C3 GOL A 232 >GLY~A 55 142.27 2.07 23.37 142.65 2.72 23.73 142.46 2.39 23.55 1 0 25.77 -999 ? C3 GOL A 232 >TYR~A 56 141.04 7.28 22.66 138.50 7.83 21.60 139.77 7.55 22.13 3 0 22.13 -999 ? C3 GOL A 232 >VAL~A 57 146.60 5.37 24.09 147.45 5.41 26.14 147.02 5.39 25.12 3 0 21.11 -999 ? C1 GOL A 232 >LEU~A 60 147.36 8.52 20.68 145.64 9.89 20.51 146.50 9.21 20.59 3 0 19.35 -999 ? C1 GOL A 232 >SER~A 61 151.22 5.86 20.64 150.71 4.03 22.21 150.96 4.95 21.42 2 0 23.02 -999 ? C1 GOL A 232 >ALA~A 62 152.46 5.71 17.04 151.79 4.89 15.94 152.12 5.30 16.49 2 0 25.16 -999 ? C1 GOL A 232 >PHE.A 63 149.83 8.89 14.81 148.89 7.08 12.85 149.36 7.98 13.83 3 0 23.95 -999 ? O1 GOL A 232 >ALA.A 64 152.93 11.03 19.65 152.88 10.33 21.01 152.91 10.68 20.33 2 0 18.00 -999 ? C1 GOL A 232 >ARG.A 65 156.55 13.02 16.15 155.46 10.50 14.57 156.01 11.76 15.36 2 0 21.95 -999 ? O1 GOL A 232 >ARG.A 66 162.27 16.18 21.49 161.63 18.95 20.21 161.95 17.57 20.85 2 0 15.68 -999 ? O1 GOL A 232 >GLY.A 67 157.10 17.46 24.06 156.63 16.97 23.69 156.87 17.22 23.87 1 0 11.87 -999 ? O1 GOL A 232 >GLN.A 68 152.67 16.56 20.75 151.38 15.37 19.52 152.02 15.97 20.13 2 0 14.58 -999 ? O1 GOL A 232 >MET?A 69 151.09 16.97 26.18 151.33 20.87 27.71 151.21 18.92 26.95 2 0 5.45 -999 ? C1 GOL A 232 >PHE.A 70 149.55 12.77 25.01 150.60 12.69 22.39 150.08 12.73 23.70 3 0 14.42 -999 ? C1 GOL A 232 >LEU.A 71 145.24 15.81 29.66 143.81 16.70 31.09 144.52 16.25 30.37 3 0 10.31 -999 ? C3 GOL A 232 >HIS.A 72 143.35 9.77 31.42 143.61 8.90 33.30 143.48 9.33 32.36 3 0 17.21 -999 ? C3 GOL A 232 >THR.A 73 139.64 12.68 31.98 138.55 13.68 30.42 139.09 13.18 31.20 2 0 15.51 -999 ? C3 GOL A 232 >SER.A 74 138.81 9.15 33.32 138.90 6.70 33.42 138.86 7.92 33.37 2 0 21.37 -999 ? C3 GOL A 232 >LEU.A 75 137.06 9.25 37.88 136.97 9.89 39.96 137.01 9.57 38.92 3 0 21.12 -999 ? C3 GOL A 232 >THR.A 76 138.98 5.24 37.27 137.21 4.40 36.37 138.09 4.82 36.82 2 0 24.60 -999 ? C3 GOL A 232 >HIS.A 77 141.67 4.39 32.95 140.42 3.17 31.81 141.04 3.78 32.38 3 0 23.22 -999 ? C3 GOL A 232 >GLY~A 78 145.60 5.74 37.05 145.46 5.72 36.18 145.53 5.73 36.62 1 0 21.09 -999 ? C3 GOL A 232 >ILE~A 79 149.32 8.71 36.06 149.66 9.27 35.58 149.49 8.99 35.82 3 0 17.55 -999 ? C3 GOL A 232 >THR~A 80 150.35 4.48 34.25 150.56 3.12 35.92 150.45 3.80 35.09 2 0 23.29 -999 ? C1 GOL A 232 >VAL~A 81 147.75 3.94 31.44 145.68 4.58 31.02 146.72 4.26 31.23 3 0 21.67 -999 ? C3 GOL A 232 >MET?A 82 149.61 6.84 29.69 146.94 8.87 29.07 148.28 7.86 29.38 2 0 17.13 -999 ? C1 GOL A 232 >ASP.A 83 153.47 3.84 30.69 153.77 4.07 32.82 153.62 3.96 31.76 2 0 22.05 -999 ? C1 GOL A 232 >PRO.A 84 151.47 2.83 26.53 153.06 4.38 26.87 152.27 3.60 26.70 3 0 22.41 -999 ? C1 GOL A 232 >LEU.A 85 151.56 9.00 25.70 149.71 8.89 24.55 150.64 8.94 25.13 3 0 17.44 -999 ? C1 GOL A 232 >GLU.A 86 156.78 9.20 30.35 158.47 7.86 30.33 157.62 8.53 30.34 2 0 19.62 -999 ? C1 GOL A 232 >THR.A 87 157.83 6.50 26.24 157.89 4.32 26.32 157.86 5.41 26.28 2 0 22.99 -999 ? C1 GOL A 232 >SER.A 88 157.18 8.42 22.96 155.35 7.06 22.09 156.27 7.74 22.53 2 0 20.87 -999 ? C1 GOL A 232 >GLY.A 89 158.49 11.72 24.54 157.71 11.53 24.62 158.10 11.62 24.58 1 0 17.01 -999 ? O1 GOL A 232 >GLY.A 90 155.11 13.04 25.76 155.67 12.79 26.30 155.39 12.92 26.03 1 0 14.20 -999 ? C1 GOL A 232 >ILE^A 91 154.34 16.44 29.07 154.97 17.62 29.37 154.66 17.03 29.22 3 0 9.74 -999 ? C1 GOL A 232 >VAL^A 92 151.30 12.84 30.45 152.08 10.78 30.33 151.69 11.81 30.39 3 0 13.93 -999 ? C1 GOL A 232 >MET?A 93 148.60 13.84 32.94 148.85 17.99 31.77 148.72 15.91 32.35 2 0 7.96 -999 ? C3 GOL A 232 >SER^A 94 145.01 13.27 34.08 145.21 11.72 35.95 145.11 12.50 35.02 2 0 15.18 -999 ? C3 GOL A 232 >ALA^A 95 142.25 15.54 35.43 142.48 17.00 35.00 142.36 16.27 35.22 2 0 11.12 -999 ? C3 GOL A 232 >HIS^A 96 136.95 12.75 36.68 134.93 12.24 36.42 135.94 12.50 36.55 3 0 18.72 -999 ? O3 GOL A 232 >PRO^A 97 135.09 17.20 35.93 136.46 16.53 37.60 135.78 16.87 36.76 3 0 15.83 -999 ? O3 GOL A 232 >ILE^A 98 134.96 14.51 42.14 136.06 14.11 42.94 135.51 14.31 42.54 3 0 20.19 -999 ? O3 GOL A 232 >GLY^A 99 131.84 18.25 41.83 132.64 18.37 42.04 132.24 18.31 41.93 1 0 20.19 -999 ? O3 GOL A 232 >GLN.A 100 130.44 21.20 45.67 129.49 23.12 45.82 129.97 22.16 45.75 2 0 22.87 -999 ? O3 GOL A 232 >ASP.A 101 135.07 24.15 41.61 133.68 25.20 40.42 134.37 24.67 41.02 2 0 16.07 -999 ? O3 GOL A 232 >ARG^A 102 137.07 21.19 45.75 135.73 23.04 47.88 136.40 22.11 46.81 2 0 20.19 -999 ? O3 GOL A 232 >TRP^A 103 138.58 20.71 39.39 138.12 19.79 35.61 138.35 20.25 37.50 3 0 12.34 -999 ? O3 GOL A 232 >VAL^A 104 141.36 14.56 40.98 140.75 12.59 41.74 141.06 13.57 41.36 3 0 17.36 -999 ? C3 GOL A 232 >ALA^A 105 144.60 15.05 39.00 144.98 16.52 38.88 144.79 15.78 38.94 2 0 12.42 -999 ? C3 GOL A 232 >SER^A 106 147.85 13.16 38.33 146.56 11.27 39.14 147.20 12.22 38.74 2 0 16.65 -999 ? C3 GOL A 232 >ALA^A 107 151.10 13.28 36.39 151.56 14.72 36.26 151.33 14.00 36.32 2 0 12.64 -999 ? C1 GOL A 232 >LEU.A 108 154.76 10.43 35.06 153.88 8.48 34.74 154.32 9.45 34.90 3 0 17.40 -999 ? C1 GOL A 232 >ASP~A 109 157.66 14.44 35.16 156.55 15.10 33.48 157.10 14.77 34.32 2 0 12.77 -999 ? C1 GOL A 232 >GLU~A 110 158.11 19.76 39.34 159.87 20.66 40.12 158.99 20.21 39.73 2 0 14.80 -999 ? C1 GOL A 232 >LEU~A 111 157.16 19.38 33.25 157.35 20.94 31.75 157.26 20.16 32.50 3 0 -9.25 -999 ? C1 GOL A 232s >GLY~A 112 153.10 17.55 34.06 153.37 17.96 34.74 153.24 17.75 34.40 1 0 9.48 -999 ? C1 GOL A 232 >GLU~A 113 152.84 16.44 39.43 153.61 16.08 41.40 153.22 16.26 40.42 2 0 15.12 -999 ? C3 GOL A 232 >THR~A 114 152.60 21.99 37.25 154.20 23.44 37.43 153.40 22.71 37.34 2 0 8.66 -999 ? C1 GOL A 232 >ILE~A 115 151.18 21.38 32.58 151.64 21.39 31.26 151.41 21.38 31.92 3 0 4.81 -999 ? C1 GOL A 232 >VAL~A 116 147.68 19.98 35.15 147.10 18.03 36.04 147.39 19.01 35.59 3 0 8.13 -999 ? C3 GOL A 232 >GLY~A 117 147.46 22.21 38.28 147.48 22.41 37.48 147.47 22.31 37.88 1 0 7.89 -999 ? C3 GOL A 232 >LEU~A 118 148.67 25.80 35.12 150.38 27.05 35.64 149.53 26.43 35.38 3 0 4.34 -999 ? C3 GOL A 232 >LEU~A 119 144.93 22.59 32.91 145.58 22.52 30.84 145.26 22.56 31.87 3 0 -4.39 -999 ? C3 GOL A 232s >VAL~A 120 142.61 22.84 36.75 142.40 21.13 38.12 142.51 21.98 37.44 3 0 8.81 -999 ? O3 GOL A 232 >GLY~A 121 143.15 26.33 38.26 142.87 26.17 37.52 143.01 26.25 37.89 1 0 7.76 -999 ? O3 GOL A 232 >GLU~A 122 143.04 27.45 32.94 144.31 28.03 31.32 143.68 27.74 32.13 2 0 -2.95 -999 ? O3 GOL A 232s >LEU~A 123 138.84 24.56 34.71 138.98 23.83 32.67 138.91 24.20 33.69 3 0 8.73 -999 ? O3 GOL A 232 >GLY.A 124 138.20 27.48 38.64 138.50 26.76 38.51 138.35 27.12 38.58 1 0 11.32 -999 ? O3 GOL A 232 >GLY.A 125 139.17 24.23 40.33 139.70 24.78 40.40 139.44 24.50 40.37 1 0 12.03 -999 ? O3 GOL A 232 >SER^A 126 141.19 22.96 43.28 139.64 23.06 45.17 140.42 23.01 44.22 2 0 15.92 -999 ? O3 GOL A 232 >ILE^A 127 144.23 19.25 42.86 145.12 18.70 41.84 144.67 18.98 42.35 3 0 13.45 -999 ? C3 GOL A 232 >VAL.A 128 141.86 16.85 46.04 139.64 16.67 46.04 140.75 16.76 46.04 3 0 18.70 -999 ? O3 GOL A 232 >ILE.A 130 141.75 10.43 45.14 140.60 10.19 46.07 141.18 10.31 45.60 3 0 22.22 -999 ? C3 GOL A 232 >ALA~A 131 145.28 7.42 45.87 145.59 6.49 47.04 145.43 6.96 46.46 2 0 25.09 -999 ? C3 GOL A 232 >ASP~A 132 146.29 4.83 41.81 147.18 6.31 40.57 146.74 5.57 41.19 2 0 21.67 -999 ? C3 GOL A 232 >ASP~A 133 144.57 1.51 45.68 146.13 0.27 44.86 145.35 0.89 45.27 2 0 29.04 -999 ? C3 GOL A 232 >LYS~A 134 140.78 4.42 45.85 140.30 2.71 51.06 140.54 3.56 48.46 2 0 31.42 -999 ? C3 GOL A 232 >ARG~A 135 142.59 6.92 40.07 143.00 9.84 38.99 142.80 8.38 39.53 2 0 18.50 -999 ? C3 GOL A 232 >ALA~A 136 137.32 2.92 41.40 137.66 1.45 41.21 137.49 2.18 41.31 2 0 28.34 -999 ? C3 GOL A 232 >GLN~A 137 137.15 2.58 46.72 137.96 0.87 47.71 137.56 1.73 47.21 2 0 31.57 -999 ? C3 GOL A 232 >LEU~A 138 136.54 7.89 44.42 136.42 10.05 44.76 136.48 8.97 44.59 3 0 24.42 -999 ? C3 GOL A 232 >ALA~A 139 133.66 6.56 41.18 134.19 5.75 39.98 133.93 6.16 40.58 2 0 25.94 -999 ? C3 GOL A 232 >ALA~A 140 131.09 4.23 42.82 131.44 2.93 43.52 131.27 3.58 43.17 2 0 30.86 -999 ? C3 GOL A 232 >ALA~A 141 130.48 6.78 45.65 131.53 7.27 46.69 131.01 7.03 46.17 2 0 29.13 -999 ? O3 GOL A 232 >LEU~A 142 130.85 10.26 42.22 132.43 11.68 42.81 131.64 10.97 42.51 3 0 24.59 -999 ? O3 GOL A 232 >THR~A 143 127.38 7.48 41.15 127.52 6.01 39.58 127.45 6.75 40.36 2 0 29.56 -999 ? O3 GOL A 232 >TYR~A 144 125.55 5.10 46.70 124.04 3.87 48.77 124.79 4.48 47.73 3 0 35.36 -999 ? O3 GOL A 232 >ALA~A 145 125.15 10.05 45.47 126.23 11.09 45.83 125.69 10.57 45.65 2 0 29.67 -999 ? O3 GOL A 232 >GLY~A 146 123.96 10.63 41.85 123.65 10.15 42.43 123.81 10.39 42.14 1 0 29.93 -999 ? O3 GOL A 232 >PHE~A 147 121.87 5.77 41.95 123.06 3.93 40.19 122.46 4.85 41.07 3 0 34.23 -999 ? O3 GOL A 232 >LEU~A 148 120.20 11.85 45.59 120.63 11.77 47.73 120.41 11.81 46.66 3 0 34.03 -999 ? O3 GOL A 232 >SER~A 149 118.35 12.39 41.40 118.64 13.22 39.13 118.50 12.80 40.27 2 0 32.30 -999 ? O3 GOL A 232 >THR~A 150 116.64 9.10 40.37 117.40 7.21 39.65 117.02 8.15 40.01 2 0 36.36 -999 ? O3 GOL A 232 >LEU~A 151 115.54 8.46 45.05 114.40 7.54 46.68 114.97 8.00 45.86 3 0 39.77 -999 ? O3 GOL A 232 >GLN~A 152 114.32 15.05 44.40 115.80 16.50 45.02 115.06 15.77 44.71 2 0 35.48 -999 ? O3 GOL A 232 >ARG~A 153 114.73 13.53 37.45 115.92 10.66 36.88 115.32 12.10 37.17 2 0 35.38 -999 ? O3 GOL A 232 >ASP~A 154 111.30 7.95 41.10 110.00 6.33 40.71 110.65 7.14 40.91 2 0 43.22 -999 ? O3 GOL A 232 >ALA~A 155 109.32 10.34 44.48 110.19 10.56 45.73 109.75 10.45 45.11 2 0 42.63 -999 ? O3 GOL A 232 >SER~A 156 108.15 13.77 43.10 110.05 15.20 43.45 109.10 14.48 43.28 2 0 40.48 -999 ? O3 GOL A 232 >TYR~A 157 107.28 12.05 37.93 108.31 13.46 35.71 107.79 12.76 36.82 3 0 41.93 -999 ? O3 GOL A 232 >PHE~A 158 104.49 7.58 44.21 103.02 5.61 45.55 103.76 6.60 44.88 3 0 49.51 -999 ? O3 GOL A 232 >LEU~A 159 104.49 13.04 46.19 103.85 13.84 48.11 104.17 13.44 47.15 3 0 47.47 -999 ? O3 GOL A 232 >ASP~A 160 103.23 15.53 41.46 102.38 17.42 40.97 102.80 16.48 41.21 2 0 46.52 -999 ? O3 GOL A 232 >GLU~A 161 100.89 10.00 40.34 101.33 7.93 40.63 101.11 8.96 40.48 2 0 50.20 -999 ? O3 GOL A 232 >PHE~A 162 98.69 11.06 45.96 99.21 8.31 45.91 98.95 9.68 45.94 3 0 52.96 -999 ? O3 GOL A 232 >LEU~A 163 100.08 17.31 45.50 100.64 16.83 47.56 100.36 17.07 46.53 3 0 49.91 -999 ? O3 GOL A 232 >GLY~A 164 98.71 18.06 41.27 99.06 18.40 41.95 98.89 18.23 41.61 1 0 49.99 -999 ? O3 GOL A 232 >ASP~A 165 100.25 21.57 43.54 100.73 23.59 43.97 100.49 22.58 43.75 2 0 47.98 -999 ? O3 GOL A 232 >PRO~A 166 103.90 20.75 39.11 103.94 20.71 41.36 103.92 20.73 40.24 3 0 44.33 -999 ? O3 GOL A 232 >ASP~A 167 105.31 24.91 43.65 106.02 25.92 41.92 105.66 25.41 42.78 2 0 42.26 -999 ? O3 GOL A 232 >VAL~A 168 103.95 21.98 46.77 101.94 22.22 47.62 102.94 22.10 47.20 3 0 46.96 -999 ? O3 GOL A 232 >THR~A 169 105.17 18.45 45.84 104.62 16.90 44.42 104.89 17.68 45.13 2 0 45.35 -999 ? O3 GOL A 232 >SER~A 170 108.72 19.83 45.56 110.49 21.30 44.77 109.60 20.57 45.16 2 0 39.19 -999 ? O3 GOL A 232 >ASP~A 171 107.68 22.69 49.39 108.24 24.45 48.35 107.96 23.57 48.87 2 0 42.28 -999 ? O3 GOL A 232 >ILE~A 172 105.84 17.60 50.46 104.54 17.06 50.93 105.19 17.33 50.69 3 0 46.92 -999 ? O3 GOL A 232 >VAL~A 173 109.87 16.26 48.98 110.06 15.22 47.03 109.97 15.74 48.00 3 0 41.98 -999 ? O3 GOL A 232 >MET?A 174 112.64 18.72 50.03 113.55 22.93 49.69 113.10 20.83 49.86 2 0 38.22 -999 ? O3 GOL A 232 >ASP~A 175 110.13 19.20 54.19 110.16 19.51 56.30 110.15 19.35 55.24 2 0 44.95 -999 ? O3 GOL A 232 >SER~A 176 111.28 14.82 53.53 109.12 14.34 52.51 110.20 14.58 53.02 2 0 45.02 -999 ? O3 GOL A 232 >ALA~A 177 114.91 14.71 52.33 115.37 15.22 50.99 115.14 14.96 51.66 2 0 38.86 -999 ? O3 GOL A 232 >GLN~A 178 116.46 19.42 53.58 115.99 21.48 53.21 116.22 20.45 53.40 2 0 38.18 -999 ? O3 GOL A 232 >GLN~A 179 113.09 17.98 58.42 114.14 18.68 60.15 113.62 18.33 59.28 2 0 44.30 -999 ? O3 GOL A 232 >PHE.A 180 116.04 10.29 60.33 115.86 7.54 61.01 115.95 8.91 60.67 3 0 46.15 -999 ? O3 GOL A 232 >ALA.A 182 111.95 6.86 61.89 111.77 6.45 63.37 111.86 6.65 62.63 2 0 51.63 -999 ? O3 GOL A 232 >LEU.A 183 111.58 2.71 59.70 112.54 1.70 58.10 112.06 2.20 58.90 3 0 50.70 -999 ? O3 GOL A 232 >PRO.A 184 106.59 3.33 58.18 107.60 3.32 60.16 107.09 3.33 59.17 3 0 53.88 -999 ? O3 GOL A 232 >SER~A 185 105.90 -0.13 62.22 103.47 -0.47 62.19 104.68 -0.30 62.20 2 0 59.78 -999 ? O3 GOL A 232 >LEU~A 186 106.89 -4.68 60.69 107.63 -6.22 59.31 107.26 -5.45 60.00 3 0 58.52 -999 ? O3 GOL A 232 >ASP~A 187 101.50 -3.78 60.56 101.51 -5.68 61.53 101.51 -4.73 61.04 2 0 63.39 -999 ? O3 GOL A 232 >GLU~A 188 101.82 1.64 59.95 102.48 3.32 61.09 102.15 2.48 60.52 2 0 58.33 -999 ? O3 GOL A 232 >VAL~A 189 105.64 -0.68 55.99 107.83 -0.73 56.22 106.74 -0.70 56.10 3 0 54.56 -999 ? O3 GOL A 232 >ILE~A 190 103.53 -5.05 55.36 103.58 -6.46 55.70 103.56 -5.76 55.53 3 0 59.31 -999 ? O3 GOL A 232 >ALA~A 191 100.62 -1.88 54.08 99.80 -1.20 55.20 100.21 -1.54 54.64 2 0 59.72 -999 ? O3 GOL A 232 >GLN~A 192 102.72 2.80 53.92 103.96 3.92 55.19 103.34 3.36 54.56 2 0 54.15 -999 ? O3 GOL A 232 >TYR~A 193 105.83 -3.62 49.71 106.71 -5.53 47.86 106.27 -4.57 48.79 3 0 54.19 -999 ? O3 GOL A 232 >ASP~A 194 100.31 -4.15 50.06 101.16 -5.94 50.95 100.73 -5.04 50.51 2 0 59.54 -999 ? O3 GOL A 232 >SER~A 195 99.65 -0.11 47.98 100.41 1.86 49.20 100.03 0.87 48.59 2 0 55.67 -999 ? O3 GOL A 232 >ILE.A 196 103.87 1.02 45.67 105.07 1.79 45.98 104.47 1.41 45.83 3 0 51.51 -999 ? O3 GOL A 232 >ASN.A 197 99.61 0.49 41.48 98.00 0.04 42.83 98.80 0.26 42.15 2 0 56.91 -999 ? O3 GOL A 232 >ASN~A 198 104.68 2.28 39.86 106.35 2.52 38.58 105.51 2.40 39.22 2 0 47.82 -999 ? O3 GOL A 232 >PRO~A 199 104.80 -3.14 38.31 105.72 -1.85 39.89 105.26 -2.49 39.10 3 0 51.50 -999 ? O3 GOL A 232 >GLY~A 200 109.58 -0.65 39.85 108.96 -0.48 40.38 109.27 -0.57 40.12 1 0 47.10 -999 ? O3 GOL A 232 >ARG~A 201 106.70 5.09 42.34 105.34 6.92 40.30 106.02 6.00 41.32 2 0 46.94 -999 ? O3 GOL A 232 >GLN~A 202 105.81 -2.88 45.52 104.35 -4.32 44.93 105.08 -3.60 45.22 2 0 54.41 -999 ? O3 GOL A 232 >ARG~A 203 111.63 -5.01 41.22 109.68 -4.63 38.79 110.65 -4.82 40.00 2 0 49.27 -999 ? O3 GOL A 232 >LEU~A 204 113.08 1.36 44.44 114.94 2.50 44.38 114.01 1.93 44.41 3 0 43.23 -999 ? O3 GOL A 232 >PHE~A 205 108.27 1.41 49.54 107.01 2.12 51.92 107.64 1.76 50.73 3 0 50.40 -999 ? O3 GOL A 232 >ARG~A 206 111.71 -6.12 48.45 112.50 -6.46 45.43 112.10 -6.29 46.94 2 0 49.85 -999 ? O3 GOL A 232 >ASP~A 207 115.64 -1.88 47.69 115.21 -3.60 46.49 115.43 -2.74 47.09 2 0 46.41 -999 ? O3 GOL A 232 >LEU~A 208 114.48 2.74 50.10 115.21 4.10 48.56 114.84 3.42 49.33 3 0 43.52 -999 ? O3 GOL A 232 >ALA~A 209 113.17 0.14 53.64 111.80 -0.57 53.54 112.49 -0.22 53.59 2 0 49.68 -999 ? O3 GOL A 232 >ARG~A 210 117.74 -5.59 52.12 118.09 -4.12 49.36 117.91 -4.86 50.74 2 0 45.89 -999 ? O3 GOL A 232 >ARG~A 211 121.69 0.59 52.58 123.91 0.55 54.81 122.80 0.57 53.70 2 0 41.96 -999 ? O3 GOL A 232 >GLN~A 212 115.49 3.72 57.49 116.98 5.10 58.14 116.23 4.41 57.82 2 0 45.57 -999 ? O3 GOL A 232 >ALA~A 213 116.42 -0.98 58.56 115.48 -2.12 58.16 115.95 -1.55 58.36 2 0 50.35 -999 ? O3 GOL A 232 >GLU~A 214 120.51 -3.59 56.16 121.15 -3.62 54.08 120.83 -3.61 55.12 2 0 45.81 -999 ? O3 GOL A 232 >ILE~A 215 121.11 2.69 58.52 121.60 3.75 57.72 121.36 3.22 58.12 3 0 43.79 -999 ? O3 GOL A 232 >SER~A 216 118.65 1.78 62.23 117.18 3.49 61.37 117.91 2.63 61.80 2 0 48.16 -999 ? O3 GOL A 232 >ARG~A 217 122.00 -1.03 65.38 123.91 -3.37 66.08 122.95 -2.20 65.73 2 0 51.32 -999 ? O3 GOL A 232 >ALA~A 218 115.15 -2.49 62.77 114.20 -1.49 62.12 114.67 -1.99 62.44 2 0 52.99 -999 ? O3 GOL A 232 >GLN~A 219 117.68 -6.98 63.49 118.50 -8.42 64.80 118.09 -7.70 64.14 2 0 56.17 -999 ? O3 GOL A 232 >ASP~A 220 110.72 -6.86 62.71 110.36 -4.77 63.08 110.54 -5.82 62.90 2 0 57.71 -999 ? O3 GOL A 232 >ILE~A 221 111.68 -3.14 58.82 111.09 -1.90 58.75 111.38 -2.52 58.78 3 0 53.54 -999 ? O3 GOL A 232 >GLU~A 222 117.62 -6.23 57.39 119.39 -6.59 58.52 118.50 -6.41 57.95 2 0 51.00 -999 ? O3 GOL A 232 >LEU~A 223 113.63 -10.48 58.86 113.72 -12.71 58.82 113.68 -11.59 58.84 3 0 57.67 -999 ? O3 GOL A 232 >TRP~A 224 107.64 -8.09 54.83 108.43 -4.77 52.88 108.03 -6.43 53.85 3 0 55.82 -999 ? O3 GOL A 232 >ALA~A 225 112.48 -6.81 53.14 113.32 -5.57 53.36 112.90 -6.19 53.25 2 0 51.51 -999 ? O3 GOL A 232 >ILE~A 226 116.28 -9.98 53.13 117.19 -9.80 54.30 116.74 -9.89 53.71 3 0 52.43 -999 ? O3 GOL A 232 >GLN~A 227 111.87 -13.47 54.59 110.71 -13.91 56.34 111.29 -13.69 55.47 2 0 59.88 -999 ? O3 GOL A 232 >LYS~A 228 110.47 -10.10 49.57 105.47 -9.95 49.26 107.97 -10.03 49.41 2 0 58.18 -999 ? O3 GOL A 232 >GLU.A 229 112.36 -12.35 45.89 111.65 -12.71 43.90 112.01 -12.53 44.90 2 0 54.39 -999 ? O3 GOL A 232 >MET?B 1 82.42 34.94 62.09 81.77 31.16 61.88 82.09 33.05 61.99 2 0 72.05 -999 ? O3 GOL A 232 >ALA.B 3 83.37 29.09 65.66 83.92 27.78 65.10 83.65 28.43 65.38 2 0 71.43 -999 ? O3 GOL A 232 >PRO.B 4 81.39 26.97 69.01 82.97 28.52 68.73 82.18 27.75 68.87 3 0 74.79 -999 ? O3 GOL A 232 >ARG.B 5 88.37 28.94 71.12 88.50 28.63 68.03 88.44 28.78 69.58 2 0 68.95 -999 ? O3 GOL A 232 >LEU.B 6 84.97 22.64 70.89 83.71 22.72 69.10 84.34 22.68 70.00 3 0 73.61 -999 ? O3 GOL A 232 >VAL^B 8 87.51 18.57 73.38 88.66 19.09 71.59 88.09 18.83 72.49 3 0 72.17 -999 ? O3 GOL A 232 >GLY^B 9 88.04 14.99 74.70 88.24 15.22 73.85 88.14 15.11 74.28 1 0 74.00 -999 ? O3 GOL A 232 >ILE^B 10 92.29 14.53 72.55 93.53 14.96 72.12 92.91 14.74 72.34 3 0 68.79 -999 ? O3 GOL A 232 >PHE^B 11 90.28 8.56 73.21 87.95 8.16 74.75 89.12 8.36 73.98 3 0 74.08 -999 ? O3 GOL A 232 >ASP^B 12 97.05 11.16 72.94 98.78 11.55 71.75 97.92 11.36 72.35 2 0 64.58 -999 ? O3 GOL A 232 >ASP.B 13 97.14 5.89 70.60 97.21 3.80 70.57 97.18 4.84 70.59 2 0 67.29 -999 ? O3 GOL A 232 >GLY.B 14 101.41 7.34 71.12 100.86 7.17 70.51 101.14 7.26 70.81 1 0 63.41 -999 ? O3 GOL A 232 >SER.B 15 100.98 5.98 67.54 98.57 5.62 67.32 99.77 5.80 67.43 2 0 63.80 -999 ? O3 GOL A 232 >SER.B 16 100.36 9.42 65.93 98.83 11.19 65.12 99.59 10.30 65.52 2 0 60.74 -999 ? O3 GOL A 232 >THR.B 17 102.79 12.34 65.51 104.35 11.50 64.25 103.57 11.92 64.88 2 0 55.86 -999 ? O3 GOL A 232 >VAL.B 18 99.96 14.78 64.44 98.05 14.52 63.34 99.00 14.65 63.89 3 0 59.12 -999 ? O3 GOL A 232 >ASN~B 19 101.20 17.18 68.08 103.00 16.05 68.21 102.10 16.62 68.15 2 0 58.25 -999 ? O3 GOL A 232 >MET?B 20 96.22 17.23 67.62 94.13 18.39 65.35 95.18 17.81 66.49 2 0 63.30 -999 ? O3 GOL A 232 >ALA~B 21 95.75 17.90 71.38 96.20 17.01 72.54 95.98 17.45 71.96 2 0 65.98 -999 ? O3 GOL A 232 >GLU~B 22 100.99 21.33 70.79 102.95 20.69 70.22 101.97 21.01 70.50 2 0 58.93 -999 ? O3 GOL A 232 >LYS~B 23 97.24 21.96 67.85 100.53 19.47 64.33 98.88 20.71 66.09 2 0 57.33 -999 ? O3 GOL A 232 >LEU~B 24 92.62 21.22 69.34 91.43 20.20 67.83 92.03 20.71 68.59 3 0 66.55 -999 ? O3 GOL A 232 >ASP~B 25 95.68 23.03 73.54 96.14 24.22 75.23 95.91 23.62 74.38 2 0 67.08 -999 ? O3 GOL A 232 >SER~B 26 97.03 26.38 70.84 97.75 25.37 68.74 97.39 25.88 69.79 2 0 61.72 -999 ? O3 GOL A 232 >VAL~B 27 94.05 27.99 68.97 93.76 26.83 67.13 93.90 27.41 68.05 3 0 64.42 -999 ? O3 GOL A 232 >GLY.B 28 91.94 28.26 72.21 91.91 27.57 71.92 91.93 27.92 72.06 1 0 68.45 -999 ? O3 GOL A 232 >HIS.B 29 89.33 24.39 70.13 88.54 25.08 68.31 88.94 24.74 69.22 3 0 69.23 -999 ? O3 GOL A 232 >TYR^B 30 87.97 25.12 76.71 87.15 27.81 76.47 87.56 26.47 76.59 3 0 74.57 -999 ? O3 GOL A 232 >VAL^B 31 91.37 19.93 75.47 92.61 19.53 73.69 91.99 19.73 74.58 3 0 70.18 -999 ? O3 GOL A 232 >THR^B 32 91.24 17.04 78.02 89.87 16.78 79.71 90.56 16.91 78.87 2 0 75.38 -999 ? O3 GOL A 232 >VAL^B 33 93.25 13.84 77.38 95.38 13.53 77.01 94.32 13.69 77.19 3 0 70.91 -999 ? O3 GOL A 232 >LEU.B 34 89.46 10.81 77.12 87.73 12.11 77.29 88.60 11.46 77.20 3 0 75.68 -999 ? O3 GOL A 232 >HIS.B 35 93.80 8.45 80.32 95.44 9.75 80.17 94.62 9.10 80.24 3 0 73.66 -999 ? O3 GOL A 232 >ALA~B 36 88.42 5.65 79.43 87.80 5.53 80.82 88.11 5.59 80.12 2 0 79.88 -999 ? O3 GOL A 232 >PRO~B 37 86.40 3.31 76.26 86.21 5.36 77.13 86.31 4.34 76.69 3 0 78.89 -999 ? O3 GOL A 232 >ASP~B 39 86.17 10.10 80.06 86.89 8.98 81.73 86.53 9.54 80.89 2 0 80.28 -999 ? O3 GOL A 232 >ILE~B 40 83.39 10.56 74.96 83.40 9.35 74.11 83.40 9.96 74.54 3 0 78.57 -999 ? O3 GOL A 232 >PHE.B 43 84.87 15.98 76.49 86.54 16.08 78.77 85.71 16.03 77.63 3 0 77.42 -999 ? O3 GOL A 232 >GLU.B 44 80.60 20.83 73.34 80.95 22.93 73.51 80.78 21.88 73.42 2 0 78.33 -999 ? O3 GOL A 232 >LEU^B 45 85.20 18.16 69.51 86.37 17.89 67.67 85.78 18.02 68.59 3 0 72.07 -999 ? O3 GOL A 232 >VAL^B 46 85.86 13.69 70.65 84.88 11.98 71.61 85.37 12.83 71.13 3 0 74.54 -999 ? O3 GOL A 232 >VAL^B 47 89.29 13.35 68.89 90.60 15.03 68.31 89.94 14.19 68.60 3 0 69.17 -999 ? O3 GOL A 232 >ILE^B 48 90.01 8.80 67.32 89.28 7.57 67.22 89.65 8.18 67.27 3 0 70.06 -999 ? O3 GOL A 232 >ASP^B 49 95.12 12.20 68.28 96.90 12.96 67.29 96.01 12.58 67.78 2 0 63.06 -999 ? O3 GOL A 232 >ALA.B 50 95.76 7.43 66.89 95.19 6.57 67.98 95.47 7.00 67.43 2 0 66.47 -999 ? O3 GOL A 232 >HIS.B 51 98.96 5.38 63.46 100.44 6.68 62.73 99.70 6.03 63.09 3 0 60.50 -999 ? O3 GOL A 232 >GLY~B 52 94.13 2.26 65.47 93.96 3.06 65.51 94.04 2.66 65.49 1 0 67.41 -999 ? O3 GOL A 232 >VAL~B 53 90.95 4.23 64.76 90.55 6.02 63.52 90.75 5.12 64.14 3 0 68.50 -999 ? O3 GOL A 232 >GLU~B 54 90.19 -0.97 63.53 92.13 -0.10 63.38 91.16 -0.54 63.46 2 0 68.87 -999 ? O3 GOL A 232 >GLY~B 55 89.56 -0.06 67.76 89.26 0.67 67.54 89.41 0.31 67.65 1 0 72.99 -999 ? O3 GOL A 232 >TYR~B 56 90.64 4.72 70.07 92.93 4.89 71.71 91.79 4.81 70.89 3 0 71.25 -999 ? O3 GOL A 232 >VAL~B 57 85.39 3.58 67.31 84.87 4.13 65.21 85.13 3.85 66.26 3 0 74.53 -999 ? O3 GOL A 232 >LEU~B 60 84.03 5.87 71.10 85.64 7.20 71.73 84.84 6.53 71.41 3 0 76.55 -999 ? O3 GOL A 232 >SER~B 61 80.22 3.36 70.14 80.92 1.96 68.26 80.57 2.66 69.20 2 0 79.54 -999 ? O3 GOL A 232 >ALA~B 62 78.36 2.57 73.41 78.79 1.46 74.38 78.57 2.01 73.90 2 0 84.42 -999 ? O3 GOL A 232 >PHE~B 63 80.50 5.22 76.56 81.16 3.08 78.27 80.83 4.15 77.42 3 0 83.61 -999 ? O3 GOL A 232 >ALA~B 64 78.36 8.27 71.68 78.66 7.83 70.24 78.51 8.05 70.96 2 0 80.76 -999 ? O3 GOL A 232 >GLY.B 67 75.13 15.92 68.26 75.54 15.30 68.50 75.34 15.61 68.38 1 0 81.41 -999 ? O3 GOL A 232 >GLN.B 68 78.92 13.83 71.84 80.09 12.39 72.89 79.50 13.11 72.37 2 0 79.94 -999 ? O3 GOL A 232 >MET?B 69 81.45 15.62 67.08 81.67 19.76 66.38 81.56 17.69 66.73 2 0 74.35 -999 ? O3 GOL A 232 >PHE.B 70 82.49 11.15 67.33 80.80 10.57 69.52 81.65 10.86 68.43 3 0 76.69 -999 ? O3 GOL A 232 >LEU.B 71 87.82 14.85 64.57 89.53 15.97 63.67 88.68 15.41 64.12 3 0 67.75 -999 ? O3 GOL A 232 >HIS.B 72 89.77 9.23 61.73 89.85 8.82 59.67 89.81 9.03 60.70 3 0 66.58 -999 ? O3 GOL A 232 >THR.B 73 93.69 11.94 62.52 94.50 12.65 64.39 94.09 12.30 63.45 2 0 63.50 -999 ? O3 GOL A 232 >SER.B 74 94.67 8.73 60.65 94.71 6.37 60.02 94.69 7.55 60.34 2 0 62.91 -999 ? O3 GOL A 232 >LEU.B 75 97.39 9.38 56.68 97.99 10.35 54.81 97.69 9.87 55.74 3 0 57.45 -999 ? O3 GOL A 232 >THR.B 76 95.03 5.74 55.97 96.51 4.45 56.96 95.77 5.09 56.47 2 0 60.75 -999 ? O3 GOL A 232 >HIS.B 77 91.48 4.28 59.55 92.31 2.71 60.65 91.89 3.50 60.10 3 0 66.26 -999 ? O3 GOL A 232 >GLY~B 78 88.57 6.72 55.15 88.56 6.47 56.01 88.57 6.59 55.58 1 0 66.10 -999 ? O3 GOL A 232 >ILE~B 79 84.70 9.46 56.26 84.37 9.96 56.77 84.54 9.71 56.52 3 0 69.37 -999 ? O3 GOL A 232 >THR~B 80 83.55 4.85 56.78 83.89 3.75 54.94 83.72 4.30 55.86 2 0 71.11 -999 ? O3 GOL A 232 >VAL~B 81 85.53 3.79 59.94 87.46 4.40 60.89 86.50 4.10 60.41 3 0 70.75 -999 ? O3 GOL A 232 >MET?B 82 83.38 6.41 61.78 85.90 8.10 63.28 84.64 7.25 62.53 2 0 71.31 -999 ? O3 GOL A 232 >ASP.B 83 79.80 3.82 59.44 79.86 4.43 57.39 79.83 4.12 58.42 2 0 75.31 -999 ? O3 GOL A 232 >PRO.B 84 80.75 1.95 63.62 79.34 3.66 63.25 80.05 2.80 63.44 3 0 77.91 -999 ? O3 GOL A 232 >LEU.B 85 80.69 7.76 65.57 82.24 7.12 67.00 81.46 7.44 66.29 3 0 76.63 -999 ? O3 GOL A 232 >GLU.B 86 75.84 9.48 60.53 75.67 9.76 58.45 75.76 9.62 59.49 2 0 78.08 -999 ? O3 GOL A 232 >THR.B 87 74.35 6.04 63.01 75.05 4.17 62.14 74.70 5.11 62.57 2 0 81.36 -999 ? O3 GOL A 232 >SER.B 88 74.63 6.65 66.80 75.70 6.38 69.00 75.16 6.51 67.90 2 0 83.06 -999 ? O3 GOL A 232 >GLY.B 89 73.77 10.42 66.16 74.50 10.22 66.04 74.13 10.32 66.10 1 0 82.61 -999 ? O3 GOL A 232 >GLY.B 90 77.31 11.87 65.80 76.87 11.79 65.17 77.09 11.83 65.49 1 0 79.04 -999 ? O3 GOL A 232 >ILE^B 91 78.79 16.00 63.83 78.28 17.26 63.82 78.54 16.63 63.83 3 0 76.34 -999 ? O3 GOL A 232 >VAL^B 92 81.86 12.51 62.05 81.00 10.58 61.45 81.43 11.54 61.75 3 0 73.75 -999 ? O3 GOL A 232 >MET?B 93 85.06 13.97 60.52 84.33 17.80 62.17 84.70 15.89 61.34 2 0 70.30 -999 ? O3 GOL A 232 >SER^B 94 88.75 13.31 59.80 88.93 12.19 57.65 88.84 12.75 58.72 2 0 65.29 -999 ? O3 GOL A 232 >ALA^B 95 91.79 15.58 59.35 91.49 16.91 60.04 91.64 16.24 59.70 2 0 63.15 -999 ? O3 GOL A 232 >HIS^B 96 97.07 12.76 58.49 98.96 12.01 58.98 98.01 12.38 58.74 3 0 57.82 -999 ? O3 GOL A 232 >PRO^B 97 98.97 17.00 60.32 97.88 16.67 58.38 98.43 16.84 59.35 3 0 56.82 -999 ? O3 GOL A 232 >ILE^B 98 100.01 15.33 53.85 99.06 15.20 52.83 99.53 15.27 53.34 3 0 53.46 -999 ? O3 GOL A 232 >GLY^B 99 103.12 18.76 55.24 102.38 18.95 54.93 102.75 18.86 55.08 1 0 50.48 -999 ? O3 GOL A 232 >GLN.B 100 105.25 21.92 52.25 106.59 23.50 52.76 105.92 22.71 52.51 2 0 45.74 -999 ? O3 GOL A 232 >ASP.B 101 100.17 24.71 56.01 101.32 25.44 57.62 100.75 25.07 56.82 2 0 52.59 -999 ? O3 GOL A 232 >ARG^B 102 98.50 22.60 50.96 100.01 25.07 49.70 99.25 23.83 50.33 2 0 50.38 -999 ? O3 GOL A 232 >TRP^B 103 96.25 21.02 57.00 95.82 19.41 60.55 96.03 20.21 58.77 3 0 58.14 -999 ? O3 GOL A 232 >VAL^B 104 93.47 15.65 53.88 94.81 13.94 53.46 94.14 14.80 53.67 3 0 58.52 -999 ? O3 GOL A 232 >ALA^B 105 89.97 15.76 55.42 89.58 17.19 55.82 89.78 16.47 55.62 2 0 63.04 -999 ? O3 GOL A 232 >SER^B 106 86.67 13.87 55.24 87.82 12.09 54.07 87.25 12.98 54.66 2 0 64.97 -999 ? O3 GOL A 232 >ALA^B 107 83.11 13.94 56.52 82.66 15.38 56.62 82.89 14.66 56.57 2 0 69.96 -999 ? O3 GOL A 232 >LEU.B 108 79.34 10.94 57.01 80.02 8.85 57.11 79.68 9.90 57.06 3 0 73.92 -999 ? O3 GOL A 232 >ASP~B 109 76.46 14.92 56.78 77.15 14.72 58.78 76.81 14.82 57.78 2 0 75.90 -999 ? O3 GOL A 232 >GLU~B 110 76.41 20.93 53.84 74.71 21.68 52.78 75.56 21.30 53.31 2 0 75.48 -999 ? O3 GOL A 232 >LEU~B 111 76.75 19.46 59.72 76.34 20.70 61.51 76.54 20.08 60.62 3 0 76.49 -999 ? O3 GOL A 232 >GLY~B 112 80.81 17.70 59.22 80.67 18.26 58.62 80.74 17.98 58.92 1 0 72.29 -999 ? O3 GOL A 232 >GLU~B 113 82.80 19.24 53.49 81.97 19.02 51.56 82.38 19.13 52.52 2 0 68.45 -999 ? O3 GOL A 232 >THR~B 114 81.89 22.60 56.95 80.27 24.00 56.59 81.08 23.30 56.77 2 0 71.30 -999 ? O3 GOL A 232 >ILE~B 115 82.48 21.22 61.67 81.79 21.02 62.89 82.14 21.12 62.28 3 0 71.98 -999 ? O3 GOL A 232 >VAL~B 116 86.33 20.13 59.52 86.98 18.33 58.40 86.65 19.23 58.96 3 0 66.69 -999 ? O3 GOL A 232 >GLY~B 117 87.17 22.83 56.91 87.04 22.89 57.74 87.10 22.86 57.33 1 0 65.08 -999 ? O3 GOL A 232 >LEU~B 118 85.60 25.90 60.40 84.14 27.43 59.86 84.87 26.66 60.13 3 0 68.37 -999 ? O3 GOL A 232 >LEU~B 119 88.70 22.16 62.77 87.45 21.83 64.56 88.08 21.99 63.66 3 0 67.26 -999 ? O3 GOL A 232 >VAL~B 120 91.68 22.95 59.46 92.04 21.48 57.86 91.86 22.21 58.66 3 0 61.59 -999 ? O3 GOL A 232 >GLY~B 121 91.58 26.66 58.48 91.71 26.30 59.22 91.64 26.48 58.85 1 0 61.60 -999 ? O3 GOL A 232 >GLU~B 122 89.91 28.05 63.46 88.71 27.42 65.09 89.31 27.74 64.27 2 0 67.24 -999 ? O3 GOL A 232 >LEU~B 123 95.11 23.83 62.39 94.40 22.80 64.22 94.76 23.31 63.30 3 0 61.22 -999 ? O3 GOL A 232 >GLY.B 124 96.62 27.40 59.27 96.27 26.71 59.17 96.45 27.05 59.22 1 0 57.49 -999 ? O3 GOL A 232 >GLY.B 125 95.89 24.66 56.74 95.38 25.24 56.72 95.63 24.95 56.73 1 0 57.00 -999 ? O3 GOL A 232 >SER^B 126 94.29 24.10 53.36 96.05 24.62 51.76 95.17 24.36 52.56 2 0 54.83 -999 ? O3 GOL A 232 >ILE^B 127 91.06 20.62 52.58 90.04 19.89 53.34 90.55 20.26 52.96 3 0 60.70 -999 ? O3 GOL A 232 >VAL.B 128 93.87 18.85 49.32 96.00 18.45 49.81 94.94 18.65 49.56 3 0 55.66 -999 ? O3 GOL A 232 >ILE.B 130 93.25 12.66 48.60 94.40 12.43 47.72 93.82 12.55 48.16 3 0 57.47 -999 ? O3 GOL A 232 >ALA~B 131 89.80 9.99 47.20 89.66 9.10 45.96 89.73 9.54 46.58 2 0 61.68 -999 ? O3 GOL A 232 >ASP~B 132 88.55 7.78 51.40 87.96 9.54 52.49 88.26 8.66 51.95 2 0 64.94 -999 ? O3 GOL A 232 >ASP~B 133 89.73 4.65 47.06 87.66 4.39 47.43 88.70 4.52 47.24 2 0 65.35 -999 ? O3 GOL A 232 >LYS~B 134 93.97 6.45 47.49 96.25 7.21 42.30 95.11 6.83 44.89 2 0 55.41 -999 ? O3 GOL A 232 >ARG~B 135 92.02 8.34 53.37 91.54 10.94 55.02 91.78 9.64 54.19 2 0 62.24 -999 ? O3 GOL A 232 >ALA~B 136 96.94 4.06 51.66 96.39 2.66 51.42 96.66 3.36 51.54 2 0 59.45 -999 ? O3 GOL A 232 >GLN~B 137 97.76 5.01 46.38 96.12 3.66 46.33 96.94 4.33 46.35 2 0 57.77 -999 ? O3 GOL A 232 >LEU~B 138 98.43 9.60 50.07 98.80 11.74 50.18 98.61 10.67 50.13 3 0 54.25 -999 ? O3 GOL A 232 >ALA~B 139 101.10 7.26 52.95 100.45 6.30 53.92 100.77 6.78 53.44 2 0 55.54 -999 ? O3 GOL A 232 >ALA~B 140 103.41 5.10 50.80 102.93 3.99 49.82 103.17 4.55 50.31 2 0 52.84 -999 ? O3 GOL A 232 >ALA~B 141 104.41 8.11 48.64 103.42 8.91 47.74 103.91 8.51 48.19 2 0 49.78 -999 ? O3 GOL A 232 >LEU~B 142 104.36 10.69 52.78 102.96 12.36 52.72 103.66 11.53 52.75 3 0 50.58 -999 ? O3 GOL A 232 >THR~B 143 107.43 7.44 53.12 107.04 5.68 54.34 107.24 6.56 53.73 2 0 50.58 -999 ? O3 GOL A 232 >TYR~B 144 109.14 6.15 47.21 110.60 5.23 44.95 109.87 5.69 46.08 3 0 45.07 -999 ? O3 GOL A 232 >ALA~B 145 110.05 10.60 49.58 109.07 11.79 49.55 109.56 11.20 49.57 2 0 44.55 -999 ? O3 GOL A 232 >GLY~B 146 111.35 10.24 53.17 111.60 9.85 52.53 111.48 10.05 52.85 1 0 44.84 -999 ? O3 GOL A 232 >PHE~B 147 112.91 5.34 51.94 111.47 3.30 53.22 112.19 4.32 52.58 3 0 46.44 -999 ? O3 GOL A 232 >LEU~B 148 115.20 11.87 49.73 114.74 12.27 47.65 114.97 12.07 48.69 3 0 39.17 -999 ? O3 GOL A 232 >SER~B 149 117.04 11.27 53.92 116.84 11.65 56.34 116.94 11.46 55.13 2 0 41.86 -999 ? O3 GOL A 232 >THR~B 150 118.36 7.69 54.26 117.35 5.78 54.54 117.85 6.74 54.40 2 0 42.98 -999 ? O3 GOL A 232 >LEU~B 151 119.53 7.77 49.50 120.56 6.91 47.75 120.05 7.34 48.63 3 0 37.34 -999 ? O3 GOL A 232 >GLN~B 152 121.52 13.94 51.52 120.36 15.76 51.45 120.94 14.85 51.49 2 0 35.01 -999 ? O3 GOL A 232 >ASP~B 154 123.45 5.99 53.12 124.38 4.10 53.15 123.92 5.05 53.14 2 0 38.62 -999 ? O3 GOL A 232 >ALA~B 155 125.90 8.67 50.41 125.09 9.27 49.25 125.49 8.97 49.83 2 0 33.15 -999 ? O3 GOL A 232 >SER~B 156 127.49 11.48 52.46 125.82 13.21 52.51 126.66 12.35 52.49 2 0 32.73 -999 ? O3 GOL A 232 >TYR~B 157 128.05 8.70 57.15 127.22 9.80 59.60 127.63 9.25 58.37 3 0 37.44 -999 ? O3 GOL A 232 >PHE~B 158 130.11 5.36 49.89 131.26 3.60 48.01 130.68 4.48 48.95 3 0 32.64 -999 ? O3 GOL A 232 >LEU~B 159 130.96 10.97 49.10 131.78 12.17 47.46 131.37 11.57 48.28 3 0 27.47 -999 ? O3 GOL A 232 >ASP~B 160 132.61 12.06 54.22 133.70 13.66 55.06 133.16 12.86 54.64 2 0 30.03 -999 ? O3 GOL A 232 >GLU~B 161 134.13 6.23 54.15 133.39 4.31 53.55 133.76 5.27 53.85 2 0 34.26 -999 ? O3 GOL A 232 >PHE~B 162 136.48 8.10 48.72 135.62 5.50 48.31 136.05 6.80 48.51 3 0 28.36 -999 ? C3 GOL A 232 >LEU~B 163 136.13 14.22 50.40 135.59 14.23 48.27 135.86 14.23 49.34 3 0 24.45 -999 ? O3 GOL A 232 >GLY~B 164 137.46 13.78 54.72 137.19 14.33 54.13 137.33 14.06 54.42 1 0 28.23 -999 ? O3 GOL A 232 >ASP~B 165 136.38 17.83 53.19 136.22 19.95 53.16 136.30 18.89 53.18 2 0 25.10 -999 ? O3 GOL A 232 >PRO~B 166 132.93 16.48 57.71 132.77 16.97 55.54 132.85 16.72 56.63 3 0 30.50 -999 ? O3 GOL A 232 >ASP~B 167 131.49 21.67 54.67 131.09 22.01 56.73 131.29 21.84 55.70 2 0 30.17 -999 ? O3 GOL A 232 >VAL~B 168 132.38 19.72 50.68 134.30 20.10 49.72 133.34 19.91 50.20 3 0 24.11 -999 ? O3 GOL A 232 >THR~B 169 130.93 16.16 50.71 131.41 14.25 51.63 131.17 15.20 51.17 2 0 28.33 -999 ? O3 GOL A 232 >SER~B 170 127.45 17.50 51.62 127.50 17.55 54.04 127.47 17.52 52.83 2 0 31.16 -999 ? O3 GOL A 232 >ASP~B 171 128.56 21.35 48.81 128.24 22.76 50.37 128.40 22.05 49.59 2 0 26.87 -999 ? O3 GOL A 232 >ILE~B 172 129.91 16.66 46.22 131.14 16.17 45.54 130.53 16.41 45.88 3 0 24.16 -999 ? O3 GOL A 232 >VAL~B 173 125.83 15.23 47.46 125.68 13.62 48.96 125.76 14.43 48.21 3 0 29.67 -999 ? O3 GOL A 232 >MET?B 174 123.20 18.06 47.28 120.15 19.22 48.13 121.67 18.64 47.70 2 0 32.43 -999 ? O3 GOL A 232 >ASP~B 175 125.77 19.40 43.32 126.27 21.36 43.99 126.02 20.38 43.66 2 0 24.76 -999 ? O3 GOL A 232 >SER~B 176 124.14 15.24 42.81 126.29 14.28 43.49 125.21 14.76 43.15 2 0 26.96 -999 ? O3 GOL A 232 >ALA~B 177 120.46 15.16 43.87 119.97 15.43 45.28 120.21 15.30 44.57 2 0 32.35 -999 ? O3 GOL A 232 >GLN~B 178 119.21 19.86 43.86 117.16 19.27 44.22 118.19 19.56 44.04 2 0 33.25 -999 ? O3 GOL A 232 >GLN~B 179 123.21 19.45 39.13 125.25 20.13 39.28 124.23 19.79 39.21 2 0 23.99 -999 ? O3 GOL A 232 >PHE.B 180 119.23 13.46 34.49 119.05 11.11 32.90 119.14 12.29 33.70 3 0 31.44 -999 ? O3 GOL A 232 >GLN.B 181 125.39 13.33 35.29 127.43 12.89 35.76 126.41 13.11 35.53 2 0 24.33 -999 ? O3 GOL A 232 >ALA.B 182 122.60 9.16 32.74 122.77 9.13 31.21 122.68 9.14 31.98 2 0 29.94 -999 ? O3 GOL A 232 >LEU.B 183 123.00 4.41 33.63 121.68 3.37 35.00 122.34 3.89 34.31 3 0 33.72 -999 ? O3 GOL A 232 >PRO.B 184 127.85 4.52 35.06 126.77 5.07 33.19 127.31 4.80 34.13 3 0 29.59 -999 ? O3 GOL A 232 >SER~B 185 128.06 1.83 30.62 130.47 1.45 30.52 129.26 1.64 30.57 2 0 30.12 -999 ? C3 GOL A 232 >LEU~B 186 126.65 -2.88 31.22 125.74 -4.67 32.11 126.19 -3.77 31.66 3 0 36.86 -999 ? C3 GOL A 232 >ASP~B 187 132.00 -2.66 31.40 131.87 -4.47 30.26 131.94 -3.56 30.83 2 0 34.42 -999 ? C3 GOL A 232 >GLU~B 188 132.32 2.58 33.05 131.98 4.49 32.26 132.15 3.54 32.66 2 0 26.79 -999 ? C3 GOL A 232 >VAL~B 189 128.25 0.01 36.62 126.03 0.27 36.39 127.14 0.14 36.51 3 0 33.56 -999 ? O3 GOL A 232 >ILE~B 190 129.80 -4.65 36.28 129.51 -5.94 35.71 129.66 -5.29 35.99 3 0 36.51 -999 ? C3 GOL A 232 >ALA~B 191 133.13 -2.22 38.13 134.05 -1.45 37.17 133.59 -1.83 37.65 2 0 31.27 -999 ? C3 GOL A 232 >GLN~B 192 131.60 2.60 39.34 130.50 4.19 38.46 131.05 3.39 38.90 2 0 28.79 -999 ? O3 GOL A 232 >TYR~B 193 127.67 -4.18 42.13 126.52 -6.34 43.49 127.10 -5.26 42.81 3 0 39.27 -999 ? C3 GOL A 232 >ASP~B 194 133.10 -5.24 41.48 132.07 -6.66 40.28 132.59 -5.95 40.88 2 0 37.36 -999 ? C3 GOL A 232 >SER~B 195 134.35 -1.97 44.38 133.89 0.29 43.60 134.12 -0.84 43.99 2 0 31.73 -999 ? C3 GOL A 232 >ILE~B 196 130.32 -0.90 46.98 129.16 0.00 46.88 129.74 -0.45 46.93 3 0 35.68 -999 ? C3 GOL A 232 >ASN.B 197 134.30 -2.15 51.30 136.12 -2.83 50.46 135.21 -2.49 50.88 2 0 36.52 -999 ? C3 GOL A 232 >ASN~B 198 129.36 -0.55 52.83 127.87 -0.46 54.32 128.62 -0.50 53.58 2 0 40.31 -999 ? O3 GOL A 232 >PRO~B 199 128.72 -6.14 53.25 127.98 -4.47 51.98 128.35 -5.31 52.61 3 0 42.60 -999 ? C3 GOL A 232 >GLY~B 200 124.35 -2.84 52.43 124.95 -2.66 51.90 124.65 -2.75 52.17 1 0 42.72 -999 ? O3 GOL A 232 >ARG~B 201 127.66 2.73 51.65 129.33 4.18 53.81 128.49 3.45 52.73 2 0 36.30 -999 ? O3 GOL A 232 >GLN~B 202 127.90 -4.24 46.40 129.22 -5.90 46.70 128.56 -5.07 46.55 2 0 40.02 -999 ? C3 GOL A 232 >ARG~B 203 121.21 -6.55 49.83 123.47 -7.00 52.03 122.34 -6.77 50.93 2 0 45.96 -999 ? O3 GOL A 232 >LEU~B 204 121.07 0.35 48.50 119.28 1.61 48.70 120.18 0.98 48.60 3 0 40.91 -999 ? O3 GOL A 232 >PHE~B 205 125.87 1.06 43.40 127.24 2.03 41.17 126.56 1.55 42.28 3 0 34.17 -999 ? O3 GOL A 232 >ARG~B 206 123.31 -6.06 41.84 124.13 -8.65 40.32 123.72 -7.36 41.08 2 0 42.97 -999 ? C3 GOL A 232 >ASP~B 207 118.14 -1.79 44.75 118.37 -3.72 45.60 118.26 -2.76 45.18 2 0 44.10 -999 ? O3 GOL A 232 >LEU~B 208 119.89 3.05 43.26 119.42 4.18 45.10 119.66 3.61 44.18 3 0 37.97 -999 ? O3 GOL A 232 >ALA~B 209 120.77 1.13 39.19 122.05 0.28 39.06 121.41 0.70 39.13 2 0 37.13 -999 ? O3 GOL A 232 >ARG~B 210 115.45 -4.03 39.78 115.33 -3.14 42.79 115.39 -3.59 41.28 2 0 44.96 -999 ? O3 GOL A 232 >ARG~B 211 112.50 2.55 40.46 110.17 3.14 38.43 111.34 2.85 39.44 2 0 44.26 -999 ? O3 GOL A 232 >GLN~B 212 118.77 6.03 36.12 120.52 7.22 36.37 119.64 6.62 36.24 2 0 33.24 -999 ? O3 GOL A 232 >ALA~B 213 117.55 1.43 34.21 118.31 0.10 34.40 117.93 0.77 34.31 2 0 39.24 -999 ? O3 GOL A 232 >GLU~B 214 113.17 -1.04 36.15 112.61 -1.40 38.20 112.89 -1.22 37.18 2 0 44.92 -999 ? O3 GOL A 232 >ILE~B 215 113.25 5.53 35.18 112.86 6.49 36.17 113.06 6.01 35.68 3 0 39.97 -999 ? O3 GOL A 232 >SER~B 216 115.54 5.20 31.31 117.81 4.41 31.75 116.68 4.80 31.53 2 0 36.74 -999 ? O3 GOL A 232 >ALA~B 218 118.55 0.87 29.83 119.53 1.61 30.74 119.04 1.24 30.28 2 0 37.22 -999 ? O3 GOL A 232 >GLN~B 219 115.63 -2.93 27.91 114.46 -3.96 26.45 115.04 -3.45 27.18 2 0 45.01 -999 ? O3 GOL A 232 >ASP~B 220 122.45 -3.96 28.76 123.09 -1.91 28.82 122.77 -2.93 28.79 2 0 37.40 -999 ? O3 GOL A 232 >ILE~B 221 121.95 -1.07 33.33 122.79 0.04 33.78 122.37 -0.52 33.56 3 0 36.78 -999 ? O3 GOL A 232 >GLU~B 222 115.68 -3.78 34.41 113.87 -3.69 33.38 114.77 -3.73 33.89 2 0 45.01 -999 ? O3 GOL A 232 >LEU~B 223 119.03 -7.83 31.73 117.43 -8.39 30.35 118.23 -8.11 31.04 3 0 45.18 -999 ? O3 GOL A 232 >TRP~B 224 125.27 -7.34 36.03 125.07 -4.50 38.74 125.17 -5.92 37.38 3 0 39.66 -999 ? C3 GOL A 232 >ALA~B 225 120.62 -5.76 38.12 119.94 -4.37 38.24 120.28 -5.06 38.18 2 0 41.77 -999 ? O3 GOL A 232 >ILE~B 226 116.49 -8.31 37.65 115.57 -7.77 36.63 116.03 -8.04 37.14 3 0 46.89 -999 ? O3 GOL A 232 >LYS.B 228 121.54 -10.98 41.33 120.12 -6.25 45.11 120.83 -8.61 43.22 2 0 44.67 -999 ? O3 GOL A 232