REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-JUL-05 2CZ8 COMPND TT0972 PROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F, G, H; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 300852; SOURCE 4 STRAIN: HB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: DE3; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR M.KUMEI,E.INAGAKI,N.NAKANO,A.SHINKAI,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET PO4 A2101 5 HET PO4 D2102 5 HET PO4 E2103 5 HET PO4 H2104 5 HET PO4 B2105 5 HET PO4 D2106 5 HET PO4 F2107 5 HET PO4 H2108 5 HET PO4 G2109 5 HET K A1150 1 HET K C1151 1 HET K E1152 1 HET K G1153 1 HET FAD A1201 53 HET FAD B1202 53 HET FAD C1203 53 HET FAD D1204 53 HET FAD E1205 53 HET FAD F1206 53 HET FAD G1207 53 HET FAD H1208 53 SITE 1 AC1 7 LYS A 6 VAL A 8 HOH A2178 LYS B 6 SITE 1 AC2 1 LYS D 6 SITE 1 AC3 9 LYS E 6 VAL E 8 HOH E2106 HOH E2125 SITE 1 AC4 1 LYS H 6 SITE 1 AC5 8 THR B 13 SER B 14 GLU B 55 HOH B2127 SITE 1 AC6 8 GLY D 2 LYS D 3 THR D 13 SER D 14 SITE 1 AC7 7 THR F 13 SER F 14 GLU F 55 HOH F2134 SITE 1 AC8 9 GLY H 2 LYS H 3 THR H 13 SER H 14 SITE 1 AC9 8 GLY E 2 LYS E 3 THR G 13 SER G 14 SITE 1 BC1 1 GLU A 19 SITE 1 BC2 3 GLU B 19 GLU C 19 GLU D 19 SITE 1 BC3 1 GLU E 19 SITE 1 BC4 3 GLU F 19 GLU G 19 GLU H 19 SITE 1 BC5 22 LYS A 3 TYR A 5 LEU A 33 ARG A 34 SITE 1 BC6 16 VAL A 11 GLN A 57 FAD A1201 LYS B 3 SITE 1 BC7 20 GLN B 57 HOH B2150 HOH B2187 LYS C 3 SITE 1 BC8 20 ARG B 45 THR B 47 ILE B 48 GLU B 50 SITE 1 BC9 22 LYS E 3 TYR E 5 ARG E 30 ARG E 34 SITE 1 CC1 20 VAL E 11 GLN E 57 FAD E1205 LYS F 3 SITE 1 CC2 19 GLN F 57 HOH F2182 LYS G 3 TYR G 5 SITE 1 CC3 17 ARG F 45 THR F 47 GLN F 57 FAD G1207 >GLY.A 2 38.20 -10.29 -26.44 37.46 -10.03 -26.75 37.83 -10.16 -26.60 1 0 9.38 -999 ? O1P FAD A1201 >LYS.A 3 36.14 -8.89 -23.59 39.00 -6.85 -21.60 37.57 -7.87 -22.59 2 0 -4.06 -999 ? O1P FAD A1201s >VAL^A 4 33.29 -6.58 -24.53 32.10 -6.89 -26.33 32.70 -6.73 -25.43 3 0 8.47 -999 ? C8M FAD A1201 >TYR^A 5 34.21 -3.28 -21.28 36.49 -4.48 -20.23 35.35 -3.88 -20.76 3 0 -3.88 -999 ? O4' FAD A1201s >LYS^A 6 28.74 -1.79 -22.63 22.47 -2.84 -22.71 25.60 -2.32 -22.67 2 0 -3.14 -999 ? O3 PO4 A2101s >LYS^A 7 28.26 1.87 -21.79 32.01 5.93 -23.91 30.13 3.90 -22.85 2 0 5.88 -999 ? C7M FAD A1201 >VAL^A 8 24.97 3.18 -20.41 23.78 2.66 -18.65 24.38 2.92 -19.53 3 0 -4.95 -999 ? O4 PO4 A2101s >GLU^A 9 23.98 9.22 -20.98 24.08 10.35 -22.76 24.03 9.78 -21.87 2 0 8.40 -999 ? C7M FAD B1202 >LEU^A 10 23.09 6.98 -15.46 22.57 4.90 -15.22 22.83 5.94 -15.34 3 0 8.82 -999 ? O4 PO4 A2101 >VAL^A 11 21.98 11.19 -14.95 21.10 12.82 -16.08 21.54 12.01 -15.52 3 0 -4.66 -999 ? C7M FAD B1202s >GLY^A 12 22.63 11.34 -11.25 22.52 12.05 -11.73 22.58 11.70 -11.49 1 0 7.43 -999 ? C8M FAD B1202 >THR^A 13 21.16 14.16 -9.19 19.08 14.01 -9.75 20.12 14.09 -9.47 2 0 5.99 -999 ? C8M FAD B1202 >SER^A 14 21.91 15.70 -5.80 23.66 15.78 -4.12 22.78 15.74 -4.96 2 0 10.35 -999 ? K K A1150 >GLU.A 15 18.53 18.29 -3.17 17.07 18.67 -1.69 17.80 18.48 -2.43 2 0 12.80 -999 ? O1P FAD B1202 >GLU.A 16 23.25 17.45 -0.40 23.30 15.92 1.05 23.27 16.68 0.32 2 0 10.04 -999 ? O3 PO4 H2104 >GLY~A 17 27.11 18.49 -4.85 26.60 17.92 -5.06 26.85 18.20 -4.96 1 0 6.30 -999 ? K K A1150 >LEU~A 18 29.91 17.69 -8.66 29.70 19.44 -9.90 29.81 18.56 -9.28 3 0 4.49 -999 ? K K A1150 >GLU~A 19 32.84 14.46 -5.62 33.19 16.54 -5.63 33.01 15.50 -5.63 2 0 -2.72 -999 ? K K A1150s >ALA~A 20 27.09 13.18 -4.53 26.30 14.09 -3.60 26.70 13.64 -4.06 2 0 8.98 -999 ? K K A1150 >ALA~A 21 25.29 13.21 -7.89 25.19 14.41 -8.82 25.24 13.81 -8.36 2 0 9.61 -999 ? K K A1150 >ILE~A 22 29.41 11.23 -9.53 30.61 11.43 -10.25 30.01 11.33 -9.89 3 0 9.14 -999 ? K K A1150 >GLN~A 23 29.53 9.24 -4.78 30.85 7.58 -4.52 30.19 8.41 -4.65 2 0 8.65 -999 ? N6A FAD H1208 >ALA~A 24 23.91 8.47 -6.74 22.99 9.69 -6.72 23.45 9.08 -6.73 2 0 11.57 -999 ? C8M FAD B1202 >ALA~A 25 24.05 7.38 -10.38 24.64 8.19 -11.53 24.34 7.79 -10.95 2 0 10.53 -999 ? C8M FAD B1202 >LEU~A 26 28.08 4.95 -9.11 29.67 5.48 -10.48 28.87 5.22 -9.80 3 0 9.44 -999 ? N1A FAD A1201 >ALA~A 27 24.61 3.38 -6.68 24.20 4.17 -5.46 24.41 3.77 -6.07 2 0 10.87 -999 ? N1A FAD A1201 >ARG~A 28 18.48 3.16 -9.29 16.81 5.65 -8.65 17.64 4.40 -8.97 2 0 10.01 -999 ? O1P FAD B1202 >ALA~A 29 23.60 1.38 -11.59 24.88 1.95 -12.21 24.24 1.66 -11.90 2 0 8.23 -999 ? N1A FAD A1201 >ARG~A 30 26.97 -1.95 -6.00 28.90 -3.32 -4.06 27.93 -2.63 -5.03 2 0 5.72 -999 ? N1A FAD A1201 >LYS~A 31 21.19 -2.31 -8.45 18.76 0.51 -4.57 19.97 -0.90 -6.51 2 0 12.11 -999 ? N6A FAD A1201 >THR~A 32 20.79 -3.93 -11.87 19.33 -2.55 -12.66 20.06 -3.24 -12.27 2 0 9.72 -999 ? N6A FAD A1201 >LEU~A 33 24.70 -2.65 -14.25 23.70 -1.65 -15.89 24.20 -2.15 -15.07 3 0 -7.61 -999 ? N6A FAD A1201s >ARG.A 34 25.52 -9.70 -12.73 27.47 -11.11 -10.81 26.50 -10.40 -11.77 2 0 -4.19 -999 ? N7A FAD A1201s >HIS.A 35 30.83 -7.99 -14.44 30.51 -10.01 -13.95 30.67 -9.00 -14.19 3 0 -4.19 -999 ? O4B FAD A1201s >LEU^A 36 30.03 -1.05 -12.17 27.92 -0.62 -12.28 28.98 -0.83 -12.23 3 0 -4.29 -999 ? N1A FAD A1201s >ASP^A 37 34.92 -1.37 -15.35 35.03 -3.45 -15.05 34.98 -2.41 -15.20 2 0 -2.87 -999 ? O1A FAD A1201s >TRP^A 38 35.06 4.57 -18.22 34.29 1.26 -20.20 34.68 2.91 -19.21 3 0 -3.61 -999 ? C5X FAD A1201s >PHE^A 39 32.46 7.44 -13.47 33.88 8.84 -11.51 33.17 8.14 -12.49 3 0 7.75 -999 ? O4 FAD A1201 >GLU^A 40 34.06 7.91 -19.64 33.91 7.15 -21.60 33.99 7.53 -20.62 2 0 5.35 -999 ? C6 FAD A1201 >VAL^A 41 31.22 12.67 -17.09 31.19 14.03 -15.39 31.20 13.35 -16.24 3 0 10.41 -999 ? O4 FAD A1201 >LYS^A 42 29.53 14.01 -20.23 29.01 11.70 -24.17 29.27 12.86 -22.20 2 0 11.70 -999 ? C7M FAD B1202 >GLU^A 43 26.23 16.54 -20.96 24.24 16.58 -21.71 25.24 16.56 -21.34 2 0 5.74 -999 ? C7M FAD B1202 >ILE^A 44 28.45 19.50 -14.88 29.38 19.43 -13.77 28.92 19.46 -14.32 3 0 9.02 -999 ? K K A1150 >ARG^A 45 22.26 19.23 -18.29 21.16 20.74 -20.74 21.71 19.99 -19.51 2 0 -4.91 -999 ? C6 FAD B1202s >GLY^A 46 21.28 21.68 -12.89 21.12 22.18 -13.51 21.20 21.93 -13.20 1 0 7.47 -999 ? C8M FAD B1202 >THR^A 47 18.14 23.49 -11.83 16.80 21.87 -11.38 17.47 22.68 -11.61 2 0 -7.45 -999 ? C9 FAD B1202s >ILE^A 48 18.26 28.07 -10.79 19.18 29.09 -11.23 18.72 28.58 -11.01 3 0 13.08 -999 ? C1' FAD B1202 >GLY.A 49 15.77 27.59 -6.97 16.47 28.06 -7.00 16.12 27.83 -6.98 1 0 13.84 -999 ? C4' FAD B1202 >GLU.A 50 14.03 28.80 -2.44 15.25 28.23 -0.80 14.64 28.51 -1.62 2 0 18.00 -999 ? C5' FAD B1202 >ALA.A 51 18.78 29.01 -2.46 18.86 27.85 -1.49 18.82 28.43 -1.98 2 0 16.83 -999 ? O2 PO4 H2104 >GLY^A 52 20.63 28.95 -5.78 20.04 28.34 -5.63 20.33 28.65 -5.71 1 0 15.94 -999 ? K K A1150 >VAL^A 53 21.33 25.46 -7.05 23.06 24.21 -7.55 22.19 24.83 -7.30 3 0 12.40 -999 ? K K A1150 >LYS^A 54 18.21 23.35 -6.56 13.02 24.44 -9.04 15.61 23.90 -7.80 2 0 9.67 -999 ? C5' FAD B1202 >GLU^A 55 18.69 17.82 -8.95 17.03 16.75 -9.69 17.86 17.29 -9.32 2 0 6.05 -999 ? C8M FAD B1202 >TYR^A 56 24.77 20.17 -8.05 25.89 22.38 -6.74 25.33 21.27 -7.39 3 0 8.19 -999 ? K K A1150 >GLN^A 57 20.13 17.83 -12.75 18.65 18.68 -14.01 19.39 18.26 -13.38 2 0 3.61 -999 ? C8M FAD B1202s >VAL^A 58 25.56 15.04 -13.71 27.43 14.94 -12.59 26.50 14.99 -13.15 3 0 7.92 -999 ? C7M FAD B1202 >VAL^A 59 25.23 13.17 -16.99 24.13 13.76 -18.77 24.68 13.47 -17.88 3 0 5.13 -999 ? C7M FAD B1202 >LEU^A 60 28.29 10.00 -15.85 27.58 8.65 -14.30 27.93 9.32 -15.08 3 0 10.52 -999 ? C7M FAD B1202 >GLU^A 61 28.69 8.05 -21.57 27.02 7.14 -22.49 27.85 7.59 -22.03 2 0 9.21 -999 ? O4 PO4 A2101 >VAL^A 62 28.97 4.07 -17.04 27.97 3.74 -15.13 28.47 3.90 -16.09 3 0 10.19 -999 ? O4 PO4 A2101 >GLY^A 63 31.04 1.29 -18.57 30.87 1.25 -17.75 30.96 1.27 -18.16 1 0 7.31 -999 ? C7 FAD A1201 >PHE^A 64 28.13 -2.46 -17.52 25.78 -2.41 -19.07 26.96 -2.44 -18.29 3 0 7.57 -999 ? O4 PO4 A2101 >ARG^A 65 34.69 -8.33 -18.33 33.21 -10.52 -16.77 33.95 -9.42 -17.55 2 0 -4.29 -999 ? C5B FAD A1201s >LEU.A 66 28.87 -7.77 -21.86 27.42 -6.35 -22.55 28.14 -7.06 -22.21 3 0 9.77 -999 ? O1A FAD A1201 >GLU.A 67 28.63 -11.66 -17.10 27.37 -12.40 -15.59 28.00 -12.03 -16.35 2 0 7.74 -999 ? N7A FAD A1201 >GLU.A 68 32.02 -15.15 -22.07 33.69 -13.91 -21.73 32.85 -14.53 -21.90 2 0 9.09 -999 ? O1P FAD A1201 >LYS.B 3 16.29 10.85 -8.61 11.12 14.50 -9.28 13.70 12.67 -8.94 2 0 -2.78 -999 ? O1P FAD B1202s >VAL^B 4 18.33 9.08 -11.28 19.94 7.69 -10.74 19.14 8.39 -11.01 3 0 8.42 -999 ? C8M FAD B1202 >TYR^B 5 16.48 11.54 -14.80 14.93 13.20 -13.16 15.70 12.37 -13.98 3 0 -3.80 -999 ? O4' FAD B1202s >LYS^B 6 18.63 7.10 -17.90 18.80 0.97 -19.54 18.71 4.04 -18.72 2 0 -3.17 -999 ? O4 PO4 A2101s >LYS^B 7 19.11 8.13 -21.53 22.05 13.13 -22.70 20.58 10.63 -22.11 2 0 5.93 -999 ? C7M FAD B1202 >VAL^B 8 18.62 5.80 -24.48 16.86 4.66 -23.92 17.74 5.23 -24.20 3 0 -4.89 -999 ? O1 PO4 A2101s >GLU^B 9 21.06 7.36 -29.85 23.09 7.82 -30.20 22.08 7.59 -30.03 2 0 8.44 -999 ? C7M FAD C1203 >LEU^B 10 15.26 5.93 -30.18 14.39 4.56 -28.77 14.82 5.24 -29.48 3 0 8.79 -999 ? O1 PO4 A2101 >VAL^B 11 16.30 6.79 -34.35 17.97 6.61 -35.75 17.13 6.70 -35.05 3 0 4.78 -999 ? C7M FAD C1203 >GLY^B 12 12.77 7.67 -35.36 13.46 7.84 -35.85 13.11 7.76 -35.60 1 0 7.48 -999 ? O4 PO4 B2105 >THR^B 13 11.88 7.58 -39.04 12.69 5.63 -39.61 12.29 6.61 -39.33 2 0 -3.71 -999 ? O4 PO4 B2105s >SER^B 14 9.04 8.81 -41.21 7.04 10.16 -41.00 8.04 9.49 -41.10 2 0 -5.40 -999 ? O4 PO4 B2105s >GLU.B 15 8.29 7.34 -46.05 7.29 6.20 -47.52 7.79 6.77 -46.78 2 0 4.57 -999 ? O3 PO4 B2105 >GLU.B 16 4.19 11.23 -42.90 2.61 11.13 -41.49 3.40 11.18 -42.20 2 0 8.56 -999 ? O3 PO4 B2105 >GLY~B 17 8.67 14.86 -41.87 8.65 14.18 -41.42 8.66 14.52 -41.64 1 0 9.36 -999 ? O4 PO4 B2105 >LEU~B 18 11.62 16.96 -38.69 13.41 17.42 -39.82 12.51 17.19 -39.26 3 0 12.23 -999 ? O4 PO4 B2105 >GLU~B 19 7.32 18.30 -35.75 5.70 19.65 -35.90 6.51 18.97 -35.82 2 0 -15.82 -999 ? O4 PO4 B2105s >ALA~B 20 6.56 12.62 -37.42 6.02 12.35 -38.83 6.29 12.48 -38.13 2 0 8.31 -999 ? O4 PO4 B2105 >ALA~B 21 9.95 10.91 -37.16 11.21 11.32 -37.90 10.58 11.12 -37.53 2 0 7.14 -999 ? O4 PO4 B2105 >ILE~B 22 10.42 13.65 -33.15 11.07 14.76 -32.53 10.75 14.21 -32.84 3 0 12.54 -999 ? O4 PO4 B2105 >GLN~B 23 5.15 12.94 -33.10 4.37 13.20 -31.13 4.76 13.07 -32.11 2 0 12.84 -999 ? C2A FAD B1202 >ALA~B 24 7.63 7.57 -34.06 8.14 7.25 -35.46 7.88 7.41 -34.76 2 0 6.82 -999 ? O4 PO4 B2105 >ALA~B 25 10.63 7.19 -31.76 11.91 8.02 -31.81 11.27 7.61 -31.78 2 0 10.58 -999 ? O4 PO4 B2105 >LEU~B 26 8.19 9.86 -28.49 9.44 11.55 -27.97 8.82 10.70 -28.23 3 0 11.25 -999 ? N1A FAD B1202 >ALA~B 27 5.80 6.13 -29.40 4.98 6.08 -30.68 5.39 6.11 -30.04 2 0 11.19 -999 ? N1A FAD B1202 >ARG~B 28 8.82 0.25 -30.30 10.42 -2.12 -29.13 9.62 -0.94 -29.71 2 0 10.66 -999 ? O1 PO4 A2101 >ALA~B 29 9.93 4.29 -26.35 10.52 5.68 -26.14 10.22 4.98 -26.24 2 0 9.86 -999 ? N6A FAD B1202 >ARG~B 30 3.22 6.33 -24.38 4.48 9.08 -23.81 3.85 7.70 -24.10 2 0 4.95 -999 ? N1A FAD B1202 >LYS~B 31 6.02 0.71 -25.20 2.06 0.14 -29.10 4.04 0.42 -27.15 2 0 10.67 -999 ? N6A FAD B1202 >THR~B 32 8.69 -0.37 -22.70 10.06 -1.23 -24.12 9.38 -0.80 -23.41 2 0 9.06 -999 ? O1 PO4 A2101 >LEU~B 33 10.93 3.62 -21.60 12.85 2.90 -22.25 11.89 3.26 -21.92 3 0 7.61 -999 ? O1 PO4 A2101 >ARG.B 34 6.58 1.88 -15.63 5.08 2.68 -13.07 5.83 2.28 -14.35 2 0 5.45 -999 ? N7A FAD B1202 >HIS.B 35 8.64 7.09 -14.51 7.55 6.02 -13.07 8.10 6.55 -13.79 3 0 -4.13 -999 ? C5B FAD B1202s >LEU^B 36 8.86 9.28 -21.55 9.27 7.58 -22.80 9.07 8.43 -22.18 3 0 6.94 -999 ? C5A FAD B1202 >ASP^B 37 11.47 13.34 -18.29 10.49 12.66 -16.55 10.98 13.00 -17.42 2 0 -2.71 -999 ? O1A FAD B1202s >TRP^B 38 16.08 15.69 -22.29 16.88 13.50 -19.11 16.48 14.60 -20.70 3 0 -3.60 -999 ? C5X FAD B1202s >PHE^B 39 12.81 14.85 -27.39 11.36 16.87 -28.67 12.09 15.86 -28.03 3 0 7.85 -999 ? O4 FAD B1202 >GLU^B 40 18.61 16.17 -25.06 20.17 15.51 -23.79 19.39 15.84 -24.42 2 0 5.45 -999 ? C6 FAD B1202 >VAL^B 41 18.01 15.65 -31.10 16.84 16.30 -32.82 17.43 15.98 -31.96 3 0 10.42 -999 ? O4 FAD B1202 >LYS^B 42 21.51 14.41 -31.90 24.67 12.64 -28.93 23.09 13.52 -30.41 2 0 11.62 -999 ? C7M FAD C1203 >GLU^B 43 23.30 12.54 -35.28 24.22 10.78 -36.02 23.76 11.66 -35.65 2 0 5.66 -999 ? C7M FAD C1203 >ILE^B 44 18.28 16.09 -38.77 17.17 16.99 -38.71 17.72 16.54 -38.74 3 0 10.05 -999 ? C7M FAD C1203 >ARG^B 45 21.89 10.26 -39.77 24.77 9.50 -40.51 23.33 9.88 -40.14 2 0 -4.53 -999 ? C6 FAD C1203s >GLY^B 46 17.71 10.57 -44.19 18.48 10.61 -44.47 18.09 10.59 -44.33 1 0 7.22 -999 ? C8M FAD C1203 >THR^B 47 17.59 8.58 -47.37 16.73 6.73 -46.75 17.16 7.65 -47.06 2 0 -7.39 -999 ? C4' FAD C1203s >ILE^B 48 18.15 10.65 -51.53 18.84 11.85 -51.82 18.50 11.25 -51.67 3 0 -12.97 -999 ? C1' FAD C1203s >GLY^B 49 14.69 8.53 -53.61 14.91 9.36 -53.69 14.80 8.94 -53.65 1 0 11.44 -999 ? O2 PO4 B2105 >GLU.B 50 13.51 7.56 -58.52 15.32 8.00 -59.51 14.42 7.78 -59.01 2 0 -16.79 -999 ? O2 PO4 B2105s >ALA.B 51 11.23 12.22 -55.46 9.80 11.84 -55.14 10.51 12.03 -55.30 2 0 13.49 -999 ? O2 PO4 B2105 >GLY^B 52 13.74 13.64 -52.98 13.48 12.85 -52.89 13.61 13.25 -52.93 1 0 13.42 -999 ? O2 PO4 B2105 >VAL^B 53 13.55 12.66 -49.32 13.59 13.70 -47.39 13.57 13.18 -48.36 3 0 10.41 -999 ? O2 PO4 B2105 >LYS^B 54 12.52 9.05 -48.99 9.32 5.05 -50.36 10.92 7.05 -49.67 2 0 6.55 -999 ? O2 PO4 B2105 >GLU^B 55 13.08 6.82 -43.36 13.71 4.82 -42.99 13.40 5.82 -43.17 2 0 -3.58 -999 ? O2 PO4 B2105s >TYR^B 56 12.23 13.43 -43.17 11.64 15.40 -45.05 11.93 14.41 -44.11 3 0 9.39 -999 ? O4 PO4 B2105 >GLN^B 57 16.42 8.10 -41.42 18.03 7.01 -42.29 17.23 7.56 -41.85 2 0 3.38 -999 ? C8M FAD C1203s >VAL^B 58 15.97 11.73 -36.49 14.72 13.43 -35.99 15.35 12.58 -36.24 3 0 8.01 -999 ? C7M FAD C1203 >VAL^B 59 18.57 10.41 -34.04 20.53 9.58 -34.47 19.55 9.99 -34.26 3 0 5.14 -999 ? C7M FAD C1203 >LEU^B 60 16.21 11.92 -30.47 14.36 10.82 -30.15 15.29 11.37 -30.31 3 0 10.56 -999 ? C7M FAD C1203 >GLU^B 61 20.92 11.07 -26.82 21.60 9.13 -26.37 21.26 10.10 -26.60 2 0 9.51 -999 ? O1 PO4 A2101 >VAL^B 62 15.34 10.05 -24.74 13.53 9.12 -25.52 14.43 9.59 -25.13 3 0 10.23 -999 ? O1 PO4 A2101 >GLY^B 63 15.61 10.69 -21.01 14.86 10.57 -21.33 15.24 10.63 -21.17 1 0 7.26 -999 ? C7 FAD B1202 >PHE^B 64 13.67 6.60 -19.33 15.37 4.43 -19.86 14.52 5.51 -19.60 3 0 7.53 -999 ? O1 PO4 A2101 >ARG^B 65 11.96 10.14 -11.38 9.20 8.99 -12.03 10.58 9.56 -11.71 2 0 -3.02 -999 ? O5B FAD B1202s >LEU.B 66 15.85 4.78 -13.06 17.20 4.03 -14.57 16.53 4.41 -13.82 3 0 10.01 -999 ? O4 PO4 A2101 >GLU.B 67 10.48 2.13 -11.95 8.78 3.28 -11.46 9.63 2.70 -11.71 2 0 7.35 -999 ? C8A FAD B1202 >GLU.B 68 15.02 4.89 -5.40 15.54 6.85 -4.82 15.28 5.87 -5.11 2 0 10.47 -999 ? O1P FAD B1202 >GLY.C 2 7.64 4.49 -39.46 7.84 4.69 -38.67 7.74 4.59 -39.06 1 0 -3.36 -999 ? O1 PO4 B2105s >LYS.C 3 10.44 2.15 -38.42 11.20 1.27 -43.15 10.82 1.71 -40.78 2 0 2.86 -999 ? O1 PO4 B2105s >VAL^C 4 12.43 2.91 -35.30 11.48 3.86 -33.58 11.95 3.39 -34.44 3 0 8.00 -999 ? O1 PO4 B2105 >TYR^C 5 16.67 1.92 -37.08 15.76 1.26 -39.64 16.21 1.59 -38.36 3 0 -3.82 -999 ? O4' FAD C1203s >LYS^C 6 17.99 1.79 -31.40 17.48 -0.69 -25.55 17.73 0.55 -28.48 2 0 -3.00 -999 ? O1 PO4 A2101s >LYS^C 7 21.69 2.48 -30.89 24.21 7.24 -33.42 22.95 4.86 -32.16 2 0 5.98 -999 ? C7M FAD C1203 >VAL^C 8 23.68 0.84 -28.10 24.08 -1.25 -27.60 23.88 -0.21 -27.85 3 0 -4.82 -999 ? O3 PO4 A2101s >GLU^C 9 28.94 3.56 -26.55 29.24 5.53 -25.88 29.09 4.55 -26.22 2 0 8.44 -999 ? C7M FAD A1201 >LEU^C 10 29.37 -2.32 -27.62 27.67 -3.63 -27.35 28.52 -2.97 -27.49 3 0 8.72 -999 ? O3 PO4 A2101 >VAL^C 11 33.44 -1.29 -26.40 34.50 0.06 -25.08 33.97 -0.61 -25.74 3 0 -4.67 -999 ? C7M FAD A1201s >GLY^C 12 34.93 -4.21 -28.27 35.40 -3.55 -27.96 35.17 -3.88 -28.11 1 0 7.36 -999 ? C8M FAD A1201 >THR^C 13 38.40 -5.28 -27.21 38.22 -5.36 -25.04 38.31 -5.32 -26.13 2 0 5.64 -999 ? C8M FAD A1201 >SER^C 14 41.02 -7.57 -28.70 41.39 -8.87 -30.72 41.20 -8.22 -29.71 2 0 11.26 -999 ? K K C1151 >GLU.C 15 45.07 -8.88 -26.13 46.10 -10.15 -24.79 45.58 -9.52 -25.46 2 0 11.42 -999 ? O1P FAD A1201 >GLU.C 16 43.30 -11.12 -32.16 41.91 -12.35 -33.17 42.61 -11.74 -32.67 2 0 -12.18 -999 ? K K C1151s >GLY~C 17 44.01 -5.56 -33.79 43.33 -5.80 -33.39 43.67 -5.68 -33.59 1 0 6.67 -999 ? K K C1151 >LEU~C 18 41.69 -1.70 -35.55 42.61 0.12 -34.89 42.15 -0.79 -35.22 3 0 4.54 -999 ? K K C1151 >GLU~C 19 39.57 -4.63 -39.42 41.38 -3.58 -39.75 40.48 -4.11 -39.58 2 0 -2.62 -999 ? K K C1151s >ALA~C 20 39.28 -7.82 -34.32 40.52 -8.56 -33.80 39.90 -8.19 -34.06 2 0 9.11 -999 ? K K C1151 >ALA~C 21 38.12 -5.42 -31.60 38.84 -4.16 -31.17 38.48 -4.79 -31.38 2 0 9.55 -999 ? C8M FAD A1201 >ILE~C 22 35.38 -3.55 -35.16 35.19 -2.45 -36.06 35.28 -3.00 -35.61 3 0 9.05 -999 ? K K C1151 >GLN~C 23 35.51 -8.38 -36.85 34.01 -8.93 -38.27 34.76 -8.65 -37.56 2 0 11.76 -999 ? K K C1151 >ALA~C 24 34.36 -8.77 -30.94 35.49 -8.56 -29.94 34.92 -8.66 -30.44 2 0 11.22 -999 ? C8M FAD A1201 >ALA~C 25 31.78 -6.08 -30.18 31.97 -4.57 -30.36 31.88 -5.33 -30.27 2 0 10.45 -999 ? C8M FAD A1201 >LEU~C 26 29.87 -6.99 -34.56 29.77 -5.06 -35.56 29.82 -6.03 -35.06 3 0 11.95 -999 ? O2' FAD C1203 >ALA~C 27 29.78 -10.81 -32.09 31.05 -11.64 -31.96 30.41 -11.22 -32.02 2 0 12.54 -999 ? N6A FAD C1203 >ARG~C 28 28.32 -10.54 -25.64 25.90 -10.03 -23.81 27.11 -10.28 -24.72 2 0 10.66 -999 ? O2 PO4 A2101 >ALA~C 29 25.87 -7.69 -29.85 26.06 -6.53 -30.83 25.97 -7.11 -30.34 2 0 10.39 -999 ? O3 PO4 A2101 >ARG~C 30 25.34 -12.83 -34.94 24.39 -10.95 -37.15 24.87 -11.89 -36.04 2 0 5.74 -999 ? C6A FAD C1203 >LYS~C 31 23.91 -12.57 -28.84 28.21 -15.14 -29.52 26.06 -13.86 -29.18 2 0 11.06 -999 ? N6A FAD C1203 >THR~C 32 21.06 -10.39 -27.56 22.04 -9.72 -25.76 21.55 -10.05 -26.66 2 0 9.13 -999 ? O2 PO4 A2101 >LEU~C 33 21.11 -6.63 -30.38 21.41 -5.22 -28.77 21.26 -5.93 -29.58 3 0 7.67 -999 ? O3 PO4 A2101 >ARG.C 34 15.49 -11.25 -32.63 13.79 -11.19 -30.08 14.64 -11.22 -31.35 2 0 7.86 -999 ? N7A FAD C1203 >HIS.C 35 15.68 -7.07 -36.63 14.15 -8.51 -36.54 14.91 -7.79 -36.59 3 0 -3.62 -999 ? C8A FAD C1203s >LEU^C 36 22.94 -6.28 -35.99 23.49 -6.60 -33.92 23.21 -6.44 -34.96 3 0 7.18 -999 ? N7A FAD C1203 >ASP^C 37 21.10 -2.07 -39.57 19.30 -3.12 -39.99 20.20 -2.59 -39.78 2 0 -2.74 -999 ? O1A FAD C1203s >TRP^C 38 25.20 2.84 -38.24 21.41 2.86 -37.17 23.31 2.85 -37.71 3 0 -3.55 -999 ? C5X FAD C1203s >PHE^C 39 30.00 -0.84 -37.10 32.02 -1.45 -38.93 31.01 -1.15 -38.01 3 0 7.77 -999 ? O4 FAD C1203 >GLU^C 40 27.64 5.12 -36.54 26.16 6.41 -35.71 26.90 5.76 -36.13 2 0 5.51 -999 ? C6 FAD C1203 >VAL^C 41 33.24 4.03 -34.38 35.17 3.16 -34.84 34.20 3.59 -34.61 3 0 10.27 -999 ? O4 FAD C1203 >LYS^C 42 33.36 6.69 -31.67 29.32 8.59 -29.84 31.34 7.64 -30.75 2 0 11.52 -999 ? C7M FAD A1201 >GLU^C 43 36.26 7.56 -28.13 36.50 7.60 -26.04 36.38 7.58 -27.09 2 0 5.76 -999 ? C7M FAD A1201 >ILE^C 44 40.58 3.93 -32.10 40.92 3.24 -33.32 40.75 3.58 -32.71 3 0 9.12 -999 ? K K C1151 >ARG^C 45 39.39 4.69 -25.22 39.72 6.97 -23.19 39.55 5.83 -24.20 2 0 -4.65 -999 ? C6 FAD A1201s >GLY^C 46 43.90 0.81 -25.81 44.14 1.49 -25.45 44.02 1.15 -25.63 1 0 7.32 -999 ? C8M FAD A1201 >THR^C 47 46.32 -0.35 -23.15 45.23 -1.87 -22.08 45.78 -1.11 -22.61 2 0 -7.44 -999 ? C4' FAD A1201s >ILE^C 48 50.90 0.73 -23.37 51.58 1.84 -23.95 51.24 1.29 -23.66 3 0 13.12 -999 ? C1' FAD A1201 >GLY.C 49 52.17 -3.64 -22.65 52.54 -3.06 -23.16 52.36 -3.35 -22.91 1 0 13.84 -999 ? C4' FAD A1201 >GLU.C 50 56.08 -7.03 -22.42 57.14 -8.52 -21.35 56.61 -7.78 -21.89 2 0 18.80 -999 ? C5' FAD A1201 >ALA.C 51 55.31 -5.41 -26.55 54.95 -6.84 -26.90 55.13 -6.12 -26.73 2 0 17.66 -999 ? K K C1151 >GLY^C 52 53.54 -2.22 -27.56 53.22 -2.74 -26.99 53.38 -2.48 -27.28 1 0 15.56 -999 ? K K C1151 >VAL^C 53 49.76 -2.39 -27.69 48.19 -1.73 -29.06 48.97 -2.06 -28.38 3 0 12.33 -999 ? K K C1151 >LYS^C 54 48.39 -4.82 -25.15 48.01 -7.87 -20.79 48.20 -6.35 -22.97 2 0 10.10 -999 ? C5' FAD A1201 >GLU^C 55 42.33 -5.00 -24.83 41.29 -5.24 -22.99 41.81 -5.12 -23.91 2 0 5.82 -999 ? O4' FAD A1201 >TYR^C 56 44.20 -2.88 -30.79 46.68 -2.86 -32.07 45.44 -2.87 -31.43 3 0 8.26 -999 ? K K C1151 >GLN^C 57 40.51 -1.29 -25.08 40.96 -0.36 -23.23 40.73 -0.82 -24.15 2 0 3.57 -999 ? C8M FAD A1201s >VAL^C 58 37.15 0.31 -29.98 37.40 0.03 -32.12 37.28 0.17 -31.05 3 0 7.90 -999 ? C7M FAD A1201 >VAL^C 59 34.16 2.24 -28.69 34.07 3.65 -27.03 34.11 2.94 -27.86 3 0 -5.10 -999 ? C7M FAD A1201s >LEU^C 60 31.58 0.97 -32.20 31.25 -1.17 -32.20 31.42 -0.10 -32.20 3 0 10.49 -999 ? C7M FAD A1201 >GLU^C 61 27.40 5.02 -30.88 26.33 4.93 -29.05 26.87 4.98 -29.96 2 0 9.19 -999 ? O3 PO4 A2101 >VAL^C 62 25.62 -0.34 -32.94 26.18 -2.43 -32.66 25.90 -1.39 -32.80 3 0 10.07 -999 ? O2' FAD C1203 >GLY^C 63 22.33 0.42 -34.68 22.65 -0.34 -34.78 22.49 0.04 -34.73 1 0 7.27 -999 ? C7 FAD C1203 >PHE^C 64 19.62 -2.95 -32.64 19.26 -2.35 -29.92 19.44 -2.65 -31.28 3 0 7.60 -999 ? O3 PO4 A2101 >ARG^C 65 13.40 -2.83 -38.91 11.96 -5.45 -38.15 12.68 -4.14 -38.53 2 0 -4.39 -999 ? C5B FAD C1203s >LEU.C 66 12.85 -1.37 -32.28 14.00 -0.68 -30.58 13.43 -1.02 -31.43 3 0 9.92 -999 ? O1A FAD C1203 >GLU.C 67 11.79 -7.32 -33.84 12.12 -9.23 -33.02 11.95 -8.27 -33.43 2 0 7.09 -999 ? N7A FAD C1203 >GLU.C 68 4.37 -5.31 -33.83 3.07 -6.81 -34.51 3.72 -6.06 -34.17 2 0 13.64 -999 ? C5B FAD C1203 >GLY.D 2 50.62 31.10 -53.01 49.77 31.11 -53.04 50.20 31.10 -53.03 1 0 -9.78 -999 ? O1P FAD D1204s >LYS.D 3 49.56 27.54 -53.82 54.08 26.18 -52.43 51.82 26.86 -53.13 2 0 4.91 -999 ? O1P FAD D1204s >VAL.D 4 45.98 26.46 -53.21 44.35 27.89 -53.53 45.17 27.18 -53.37 3 0 8.47 -999 ? C8M FAD D1204 >TYR^D 5 46.85 22.30 -51.19 49.63 22.46 -51.25 48.24 22.38 -51.22 3 0 -3.95 -999 ? O4' FAD D1204s >LYS^D 6 41.25 21.50 -52.55 36.66 21.01 -56.88 38.96 21.26 -54.71 2 0 -2.55 -999 ? O1 PO4 D2102s >LYS^D 7 39.64 18.88 -50.32 40.31 19.45 -44.45 39.98 19.17 -47.38 2 0 5.90 -999 ? C7M FAD D1204 >VAL^D 8 37.00 16.42 -51.49 36.96 14.92 -53.11 36.98 15.67 -52.30 3 0 6.04 -999 ? O4 PO4 D2102 >GLU^D 9 33.63 13.74 -47.13 32.52 14.68 -45.60 33.07 14.21 -46.36 2 0 10.48 -999 ? O4 PO4 D2102 >LEU^D 10 35.95 9.98 -51.15 36.37 10.70 -53.13 36.16 10.34 -52.14 3 0 9.44 -999 ? O3 PO4 D2102 >VAL^D 11 33.69 7.29 -48.49 31.85 7.21 -47.35 32.77 7.25 -47.92 3 0 -9.08 -999 ? O4 FAD C1203s >GLY^D 12 35.79 4.28 -49.34 35.25 4.30 -48.66 35.52 4.29 -49.00 1 0 7.51 -999 ? O4 PO4 D2106 >THR^D 13 34.37 0.85 -48.60 32.40 0.98 -49.52 33.38 0.91 -49.06 2 0 -3.74 -999 ? O4 PO4 D2106s >SER^D 14 35.69 -2.70 -48.42 37.81 -3.87 -48.47 36.75 -3.28 -48.45 2 0 -5.33 -999 ? O4 PO4 D2106s >GLU.D 15 32.70 -6.82 -48.40 31.75 -8.50 -49.27 32.23 -7.66 -48.84 2 0 4.55 -999 ? O3 PO4 D2106 >GLU.D 16 39.04 -7.39 -48.52 38.35 -9.36 -48.17 38.69 -8.37 -48.35 2 0 8.07 -999 ? O3 PO4 D2106 >GLY~D 17 39.28 -3.94 -43.70 39.08 -3.55 -44.38 39.18 -3.74 -44.04 1 0 6.29 -999 ? K K C1151 >LEU~D 18 40.44 0.14 -41.45 39.09 0.33 -39.77 39.77 0.24 -40.61 3 0 4.47 -999 ? K K C1151 >GLU~D 19 45.31 -0.30 -43.54 44.89 -1.25 -41.69 45.10 -0.77 -42.62 2 0 -2.81 -999 ? K K C1151s >ALA~D 20 41.44 -1.56 -47.90 40.85 -2.97 -47.96 41.15 -2.27 -47.93 2 0 8.24 -999 ? O4 PO4 D2106 >ALA~D 21 38.56 0.89 -47.56 37.65 1.04 -46.35 38.10 0.96 -46.96 2 0 7.15 -999 ? O4 PO4 D2106 >ILE~D 22 42.07 4.07 -46.40 42.71 4.80 -45.36 42.39 4.43 -45.88 3 0 9.19 -999 ? K K C1151 >GLN~D 23 44.79 1.12 -49.59 46.59 1.98 -50.35 45.69 1.55 -49.97 2 0 12.07 -999 ? K K C1151 >ALA~D 24 39.56 2.10 -52.41 38.32 1.35 -51.94 38.94 1.72 -52.18 2 0 6.85 -999 ? O4 PO4 D2106 >ALA~D 25 38.72 5.77 -51.94 38.44 6.49 -50.62 38.58 6.13 -51.28 2 0 10.62 -999 ? O4 PO4 D2106 >LEU~D 26 43.52 6.59 -52.19 44.02 7.76 -50.43 43.77 7.18 -51.31 3 0 9.94 -999 ? N3A FAD D1204 >ALA~D 27 42.17 4.63 -56.04 41.96 3.12 -56.05 42.07 3.88 -56.04 2 0 10.89 -999 ? C2A FAD D1204 >ARG~D 28 36.35 6.10 -58.59 34.44 7.94 -60.17 35.40 7.02 -59.38 2 0 10.23 -999 ? O3 PO4 D2102 >ALA~D 29 40.14 9.74 -56.51 40.73 10.26 -55.21 40.43 10.00 -55.86 2 0 8.16 -999 ? C2A FAD D1204 >ARG~D 30 46.25 6.76 -59.00 48.11 6.63 -61.44 47.18 6.70 -60.22 2 0 5.34 -999 ? N1A FAD D1204 >LYS~D 31 40.78 8.42 -61.79 36.00 5.12 -62.30 38.39 6.77 -62.05 2 0 13.42 -999 ? O1 PO4 D2106 >THR~D 32 39.72 12.05 -62.15 37.63 11.70 -61.75 38.67 11.88 -61.95 2 0 8.48 -999 ? O3 PO4 D2102 >LEU~D 33 41.52 14.11 -58.31 39.65 14.88 -57.55 40.59 14.50 -57.93 3 0 7.59 -999 ? C2A FAD D1204 >ARG.D 34 46.07 14.54 -62.94 48.18 15.89 -64.72 47.13 15.22 -63.83 2 0 -4.04 -999 ? N6A FAD D1204s >HIS.D 35 48.76 17.94 -58.87 49.43 18.45 -60.79 49.09 18.20 -59.83 3 0 -4.65 -999 ? O2A FAD D1204s >LEU^D 36 46.15 12.48 -54.69 44.19 12.04 -55.51 45.17 12.26 -55.10 3 0 -4.65 -999 ? N3A FAD D1204s >ASP^D 37 49.06 16.26 -51.30 50.11 17.06 -52.94 49.59 16.66 -52.12 2 0 -2.52 -999 ? O2A FAD D1204s >TRP^D 38 45.67 15.77 -45.69 45.58 18.96 -48.01 45.62 17.37 -46.85 3 0 -3.58 -999 ? C5X FAD D1204s >PHE^D 39 44.35 9.82 -46.43 45.77 7.72 -45.23 45.06 8.77 -45.83 3 0 7.83 -999 ? O4 FAD D1204 >GLU^D 40 43.00 15.18 -43.11 42.31 17.18 -43.24 42.65 16.18 -43.17 2 0 5.42 -999 ? C6 FAD D1204 >VAL^D 41 39.88 10.14 -41.78 40.05 8.03 -41.28 39.96 9.08 -41.53 3 0 10.31 -999 ? O4 FAD D1204 >LYS^D 42 36.66 11.79 -40.62 38.98 16.40 -41.15 37.82 14.10 -40.89 2 0 9.22 -999 ? C6 FAD D1204 >GLU^D 43 32.76 10.50 -40.21 30.79 10.71 -40.98 31.78 10.61 -40.60 2 0 7.62 -999 ? O4 FAD C1203 >ILE^D 44 35.92 4.32 -38.74 37.15 3.58 -38.68 36.54 3.95 -38.71 3 0 9.14 -999 ? K K C1151 >ARG^D 45 29.53 6.15 -41.10 27.04 7.40 -39.78 28.29 6.77 -40.44 2 0 -3.72 -999 ? O4 FAD C1203s >GLY^D 46 30.07 0.15 -41.50 29.48 0.38 -40.99 29.77 0.27 -41.25 1 0 5.05 -999 ? N3 FAD C1203 >THR^D 47 27.28 -2.32 -42.09 26.94 -2.21 -44.21 27.11 -2.26 -43.15 2 0 -3.96 -999 ? O2 FAD C1203s >ILE^D 48 26.00 -5.42 -38.79 26.16 -5.35 -37.35 26.08 -5.39 -38.07 3 0 7.73 -999 ? O2' FAD C1203 >GLY^D 49 25.94 -8.96 -41.69 26.25 -8.99 -40.90 26.09 -8.97 -41.29 1 0 8.20 -999 ? N3A FAD C1203 >GLU.D 50 23.66 -13.56 -41.81 22.99 -15.19 -42.97 23.33 -14.38 -42.39 2 0 5.33 -999 ? C2A FAD C1203 >ALA.D 51 29.38 -12.82 -39.90 30.24 -13.41 -41.01 29.81 -13.12 -40.46 2 0 10.98 -999 ? C2A FAD C1203 >GLY^D 52 29.91 -9.48 -38.20 29.63 -9.49 -39.01 29.77 -9.48 -38.60 1 0 11.31 -999 ? N1A FAD C1203 >VAL^D 53 31.20 -6.58 -40.27 32.80 -5.10 -40.09 32.00 -5.84 -40.18 3 0 10.37 -999 ? O2 PO4 D2106 >LYS^D 54 29.76 -6.72 -43.78 28.06 -9.69 -47.96 28.91 -8.21 -45.87 2 0 6.93 -999 ? O2 PO4 D2106 >GLU^D 55 30.98 -1.88 -47.20 29.56 -1.05 -48.53 30.27 -1.46 -47.86 2 0 -3.50 -999 ? O2 PO4 D2106s >TYR^D 56 35.61 -2.60 -42.48 36.22 -4.62 -40.65 35.92 -3.61 -41.57 3 0 7.99 -999 ? K K C1151 >GLN^D 57 30.75 1.64 -45.08 28.67 2.00 -44.86 29.71 1.82 -44.97 2 0 3.00 -999 ? N3 FAD C1203s >VAL^D 58 35.80 5.02 -44.07 37.83 4.51 -43.51 36.81 4.76 -43.79 3 0 10.20 -999 ? O4 FAD C1203 >VAL^D 59 34.77 8.64 -44.59 32.89 9.60 -44.06 33.83 9.12 -44.33 3 0 8.91 -999 ? O4 FAD C1203 >LEU^D 60 38.92 9.85 -45.80 39.62 8.99 -47.66 39.27 9.42 -46.73 3 0 11.47 -999 ? O4 FAD D1204 >GLU^D 61 37.71 15.80 -45.29 36.31 16.58 -46.66 37.01 16.19 -45.97 2 0 9.57 -999 ? O4 PO4 D2102 >VAL^D 62 41.35 13.92 -49.69 41.54 12.29 -51.12 41.44 13.11 -50.40 3 0 10.08 -999 ? O2' FAD D1204 >GLY^D 63 43.55 16.95 -50.20 43.75 16.25 -50.60 43.65 16.60 -50.40 1 0 7.25 -999 ? C7 FAD D1204 >PHE^D 64 43.07 17.40 -55.01 40.48 18.25 -55.71 41.77 17.82 -55.36 3 0 7.96 -999 ? O1 PO4 D2102 >ARG^D 65 50.53 22.08 -55.79 50.73 21.76 -58.84 50.63 21.92 -57.32 2 0 -3.99 -999 ? O1A FAD D1204s >LEU.D 66 44.16 23.84 -57.31 42.09 23.44 -56.84 43.13 23.64 -57.08 3 0 9.39 -999 ? O2A FAD D1204 >GLU.D 67 47.51 23.95 -63.35 46.87 23.44 -65.29 47.19 23.70 -64.32 2 0 11.28 -999 ? O1A FAD D1204 >GLU.D 68 50.33 29.13 -60.80 52.40 29.56 -60.98 51.36 29.34 -60.89 2 0 11.17 -999 ? O1P FAD D1204 >THR.D 69 46.49 30.14 -62.44 45.78 32.01 -61.63 46.14 31.08 -62.04 2 0 15.10 -999 ? O1P FAD D1204 >GLY.E 2 10.15 0.07 35.83 9.99 0.83 35.50 10.07 0.45 35.67 1 0 -3.43 -999 ? O1 PO4 G2109s >LYS.E 3 10.33 2.55 38.67 13.46 0.07 42.92 11.90 1.31 40.80 2 0 2.83 -999 ? O1P FAD E1205s >VAL^E 4 10.94 6.19 37.75 10.10 7.06 35.94 10.52 6.62 36.85 3 0 8.03 -999 ? O2 PO4 G2109 >TYR^E 5 14.24 7.04 41.00 14.31 4.46 42.05 14.27 5.75 41.52 3 0 -3.86 -999 ? O4' FAD E1205s >LYS^E 6 12.82 12.53 39.67 8.77 17.43 39.60 10.80 14.98 39.64 2 0 -3.21 -999 ? O2 PO4 E2103s >LYS^E 7 15.77 14.78 40.51 21.14 13.61 38.32 18.46 14.19 39.41 2 0 6.02 -999 ? C7M FAD E1205 >VAL^E 8 15.25 18.28 41.86 14.18 19.05 43.61 14.72 18.67 42.74 3 0 -4.87 -999 ? O1 PO4 E2103s >GLU^E 9 19.97 22.17 41.30 20.95 22.74 39.52 20.46 22.46 40.41 2 0 8.31 -999 ? C7M FAD F1206 >LEU^E 10 17.58 21.81 46.81 15.49 21.27 47.03 16.53 21.54 46.92 3 0 8.75 -999 ? O1 PO4 E2103 >VAL^E 11 20.69 24.87 47.33 21.66 26.46 46.21 21.18 25.67 46.77 3 0 -4.63 -999 ? C7M FAD F1206s >GLY^E 12 21.14 24.37 51.04 21.71 24.82 50.55 21.42 24.60 50.80 1 0 7.45 -999 ? C8M FAD F1206 >THR^E 13 22.85 27.06 53.10 21.68 28.79 52.53 22.26 27.92 52.82 2 0 6.00 -999 ? C8M FAD F1206 >SER^E 14 24.55 27.20 56.48 25.48 25.70 58.15 25.02 26.45 57.31 2 0 10.35 -999 ? K K E1152 >GLU.E 15 25.13 31.43 59.10 24.69 32.83 60.62 24.91 32.13 59.86 2 0 12.77 -999 ? O1P FAD F1206 >GLU.E 16 26.81 26.91 61.94 25.41 26.12 63.31 26.11 26.51 62.62 2 0 12.80 -999 ? K K E1152 >GLY~E 17 29.57 24.08 57.42 28.82 24.23 57.21 29.20 24.15 57.32 1 0 6.30 -999 ? K K E1152 >LEU~E 18 30.27 21.25 53.60 31.71 22.33 52.41 30.99 21.79 53.00 3 0 4.48 -999 ? K K E1152 >GLU~E 19 28.94 17.11 56.66 30.92 17.85 56.65 29.93 17.48 56.65 2 0 -2.71 -999 ? K K E1152s >ALA~E 20 24.94 21.42 57.75 25.32 22.56 58.69 25.13 21.99 58.22 2 0 9.02 -999 ? K K E1152 >ALA~E 21 24.09 23.02 54.40 25.09 23.70 53.46 24.59 23.36 53.93 2 0 9.59 -999 ? K K E1152 >ILE~E 22 24.42 18.45 52.76 25.21 17.52 52.04 24.82 17.99 52.40 3 0 9.13 -999 ? K K E1152 >GLN~E 23 22.76 17.35 57.48 22.01 15.37 57.77 22.39 16.36 57.62 2 0 11.94 -999 ? K K E1152 >ALA~E 24 19.29 21.84 55.54 19.89 23.24 55.56 19.59 22.54 55.55 2 0 11.57 -999 ? C8M FAD F1206 >ALA~E 25 18.41 21.17 51.91 19.41 21.06 50.76 18.91 21.12 51.33 2 0 10.54 -999 ? C8M FAD F1206 >LEU~E 26 18.33 16.47 53.17 19.56 15.30 51.82 18.95 15.89 52.49 3 0 11.23 -999 ? C2A FAD E1205 >ALA~E 27 15.23 18.69 55.59 15.70 19.46 56.82 15.47 19.08 56.21 2 0 11.46 -999 ? N1A FAD E1205 >ARG~E 28 11.99 23.90 52.99 13.39 26.55 53.64 12.69 25.22 53.31 2 0 9.91 -999 ? O1P FAD F1206 >ALA~E 29 13.00 18.54 50.69 14.14 17.71 50.08 13.57 18.12 50.38 2 0 10.14 -999 ? N6A FAD E1205 >ARG~E 30 12.06 14.42 56.59 11.12 11.54 57.05 11.59 12.98 56.82 2 0 -2.98 -999 ? N1A FAD E1205s >LYS~E 31 8.62 18.77 53.81 9.97 22.23 57.69 9.30 20.50 55.75 2 0 12.10 -999 ? N6A FAD E1205 >THR~E 32 7.01 18.37 50.39 7.47 20.33 49.60 7.24 19.35 49.99 2 0 9.71 -999 ? O3 PO4 E2103 >LEU~E 33 10.04 15.59 48.04 10.40 16.98 46.43 10.22 16.28 47.23 3 0 8.03 -999 ? O1 PO4 E2103 >ARG.E 34 4.34 11.28 49.50 4.35 8.91 51.44 4.35 10.10 50.47 2 0 -3.40 -999 ? N7A FAD E1205s >HIS.E 35 8.48 7.62 47.79 6.57 6.89 48.24 7.53 7.26 48.01 3 0 -3.84 -999 ? C8A FAD E1205s >LEU^E 36 14.10 11.76 50.11 13.39 13.80 50.04 13.75 12.78 50.08 3 0 6.98 -999 ? N1A FAD E1205 >ASP^E 37 16.29 7.37 46.94 14.53 6.24 47.24 15.41 6.81 47.09 2 0 -2.77 -999 ? O1A FAD E1205s >TRP^E 38 21.50 10.21 44.06 18.24 9.25 42.08 19.87 9.73 43.07 3 0 -3.62 -999 ? C5X FAD E1205s >PHE^E 39 22.66 13.91 48.83 24.58 13.36 50.79 23.62 13.63 49.81 3 0 7.78 -999 ? O4 FAD E1205 >GLU^E 40 23.84 12.77 42.67 23.19 12.50 40.68 23.51 12.63 41.67 2 0 5.41 -999 ? C6 FAD E1205 >VAL^E 41 26.59 17.61 45.20 27.74 18.31 46.91 27.17 17.96 46.05 3 0 10.40 -999 ? O4 FAD E1205 >LYS^E 42 26.89 19.74 42.06 25.03 15.66 39.44 25.96 17.70 40.75 2 0 9.13 -999 ? C6 FAD E1205 >GLU^E 43 27.46 23.86 41.32 26.58 25.64 40.56 27.02 24.75 40.94 2 0 5.78 -999 ? C7M FAD F1206 >ILE^E 44 31.11 23.45 47.40 31.54 22.62 48.50 31.32 23.03 47.95 3 0 9.03 -999 ? K K E1152 >ARG^E 45 27.77 28.64 43.95 28.45 30.35 41.48 28.11 29.50 42.72 2 0 -4.85 -999 ? C6 FAD F1206s >GLY^E 46 29.41 30.73 49.40 29.76 31.12 48.77 29.58 30.92 49.08 1 0 7.47 -999 ? C8M FAD F1206 >THR^E 47 29.42 34.35 50.45 27.35 34.71 50.90 28.39 34.53 50.68 2 0 -7.44 -999 ? C1' FAD F1206s >ILE^E 48 33.44 36.53 51.50 34.79 36.25 51.06 34.12 36.39 51.28 3 0 13.05 -999 ? C1' FAD F1206 >GLY.E 49 31.79 38.42 55.34 32.56 38.07 55.27 32.18 38.25 55.31 1 0 13.84 -999 ? C4' FAD F1206 >GLU.E 50 32.21 40.00 60.00 32.79 39.17 61.86 32.50 39.59 60.93 2 0 -18.71 -999 ? C5' FAD F1206s >ALA.E 51 35.10 36.71 59.74 34.37 36.07 60.91 34.73 36.39 60.32 2 0 -17.68 -999 ? K K E1152s >GLY^E 52 35.44 34.92 56.42 34.66 35.15 56.59 35.05 35.03 56.51 1 0 15.93 -999 ? K K E1152 >VAL^E 53 32.72 32.58 55.21 32.49 30.47 54.72 32.60 31.52 54.97 3 0 12.42 -999 ? K K E1152 >LYS^E 54 29.33 34.22 55.72 26.02 38.19 56.75 27.67 36.20 56.24 2 0 10.35 -999 ? C5' FAD F1206 >GLU^E 55 24.68 31.10 53.58 22.95 31.97 52.71 23.81 31.53 53.15 2 0 6.16 -999 ? C8M FAD F1206 >TYR^E 56 29.85 26.95 54.22 32.34 27.08 55.51 31.10 27.02 54.87 3 0 8.20 -999 ? K K E1152 >GLN^E 57 25.51 29.80 49.51 25.48 31.48 48.21 25.49 30.64 48.86 2 0 3.57 -999 ? C8M FAD F1206s >VAL^E 58 25.80 23.71 48.57 26.66 22.05 49.69 26.23 22.88 49.13 3 0 7.91 -999 ? C7M FAD F1206 >VAL^E 59 24.01 23.05 45.29 23.96 24.29 43.51 23.98 23.67 44.40 3 0 5.12 -999 ? C7M FAD F1206 >LEU^E 60 22.83 18.80 46.41 21.29 18.70 47.94 22.06 18.75 47.18 3 0 10.52 -999 ? C7M FAD F1206 >GLU^E 61 21.29 17.48 40.71 19.66 18.47 39.81 20.47 17.97 40.26 2 0 9.05 -999 ? O1 PO4 E2103 >VAL^E 62 18.00 15.25 45.24 17.24 15.97 47.15 17.62 15.61 46.19 3 0 10.15 -999 ? O1 PO4 E2103 >GLY^E 63 16.64 12.05 43.73 16.52 12.19 44.55 16.58 12.12 44.14 1 0 7.32 -999 ? C7 FAD E1205 >PHE^E 64 11.94 12.72 44.77 10.82 14.76 43.20 11.38 13.74 43.98 3 0 7.60 -999 ? O1 PO4 E2103 >ARG^E 65 10.17 4.10 43.97 7.47 4.29 45.42 8.82 4.20 44.70 2 0 -4.24 -999 ? C5B FAD E1205s >LEU.E 66 7.72 9.42 40.40 8.24 11.40 39.74 7.98 10.41 40.07 3 0 9.78 -999 ? O1A FAD E1205 >GLU.E 67 3.66 8.59 44.93 3.86 7.06 46.37 3.76 7.83 45.65 2 0 6.84 -999 ? C8A FAD E1205 >GLU.E 68 2.82 2.64 39.09 3.12 0.55 39.20 2.97 1.59 39.14 2 0 8.79 -999 ? O2 PO4 G2109 >THR.E 69 0.19 7.05 39.21 0.03 8.84 38.00 0.11 7.95 38.61 2 0 13.17 -999 ? N6A FAD G1207 >LYS.F 3 17.55 29.63 53.68 18.26 35.92 52.94 17.91 32.77 53.31 2 0 -2.83 -999 ? O1P FAD F1206s >VAL^F 4 17.02 26.99 50.99 16.61 24.90 51.52 16.82 25.95 51.26 3 0 8.41 -999 ? C8M FAD F1206 >TYR^F 5 18.24 29.82 47.47 18.96 31.99 49.09 18.60 30.90 48.28 3 0 -3.79 -999 ? O4' FAD F1206s >LYS^F 6 15.47 25.72 44.38 10.22 22.53 42.76 12.85 24.13 43.57 2 0 -3.24 -999 ? O1 PO4 E2103s >LYS^F 7 16.59 25.83 40.75 22.40 25.75 39.56 19.50 25.79 40.15 2 0 5.95 -999 ? C7M FAD F1206 >VAL^F 8 14.32 25.11 37.80 12.43 25.97 37.13 13.38 25.54 37.46 3 0 -4.96 -999 ? O4 PO4 E2103s >GLU^F 9 16.91 23.73 32.44 18.28 22.17 32.08 17.60 22.95 32.26 2 0 8.45 -999 ? C7M FAD G1207 >LEU^F 10 12.74 28.03 32.08 11.13 28.10 33.51 11.93 28.07 32.80 3 0 8.74 -999 ? O4 PO4 E2103 >VAL^F 11 14.02 27.58 27.92 14.69 26.05 26.52 14.36 26.82 27.22 3 0 4.77 -999 ? C7M FAD G1207 >GLY^F 12 13.02 31.08 26.92 13.52 30.57 26.44 13.27 30.83 26.68 1 0 7.47 -999 ? O4 PO4 F2107 >THR^F 13 12.51 31.81 23.24 11.23 30.14 22.67 11.87 30.97 22.95 2 0 -3.69 -999 ? O4 PO4 F2107s >SER^F 14 12.17 34.90 21.10 12.35 37.30 21.28 12.26 36.10 21.19 2 0 -5.44 -999 ? O4 PO4 F2107s >GLU.F 15 10.45 34.84 16.30 9.07 35.10 14.71 9.76 34.97 15.50 2 0 4.62 -999 ? O1 PO4 F2107 >GLU.F 16 11.86 40.40 19.04 11.73 40.88 16.98 11.80 40.64 18.01 2 0 8.27 -999 ? O1 PO4 F2107 >GLY~F 17 17.20 38.25 20.45 16.59 37.90 20.88 16.90 38.08 20.66 1 0 9.37 -999 ? O4 PO4 F2107 >LEU~F 18 20.49 36.72 23.61 21.81 35.42 22.49 21.15 36.07 23.05 3 0 12.24 -999 ? O4 PO4 F2107 >GLU~F 19 19.53 41.12 26.53 19.89 43.19 26.37 19.71 42.15 26.45 2 0 -15.84 -999 ? O4 PO4 F2107s >ALA~F 20 14.22 38.95 24.86 13.70 39.28 23.46 13.96 39.12 24.16 2 0 8.34 -999 ? O4 PO4 F2107 >ALA~F 21 14.42 35.16 25.12 15.41 34.27 24.37 14.92 34.72 24.74 2 0 7.14 -999 ? O4 PO4 F2107 >ILE~F 22 17.05 36.11 29.12 18.34 36.12 29.75 17.70 36.12 29.44 3 0 12.55 -999 ? O4 PO4 F2107 >GLN~F 23 13.83 40.29 29.18 13.65 41.12 31.13 13.74 40.71 30.16 2 0 12.56 -999 ? C2A FAD F1206 >ALA~F 24 10.37 35.50 28.23 10.36 34.90 26.83 10.36 35.20 27.53 2 0 6.83 -999 ? O4 PO4 F2107 >ALA~F 25 11.55 32.71 30.52 12.92 32.03 30.48 12.23 32.37 30.50 2 0 10.58 -999 ? O4 PO4 F2107 >LEU~F 26 12.64 36.15 33.78 14.72 35.90 34.33 13.68 36.02 34.05 3 0 9.45 -999 ? C2A FAD F1206 >ALA~F 27 8.20 36.35 32.87 7.74 37.05 31.60 7.97 36.70 32.24 2 0 10.84 -999 ? N1A FAD F1206 >ARG~F 28 4.63 30.77 32.01 3.41 28.16 33.14 4.02 29.47 32.57 2 0 10.64 -999 ? O4 PO4 E2103 >ALA~F 29 8.67 31.86 35.95 10.18 32.03 36.16 9.43 31.94 36.05 2 0 8.09 -999 ? N1A FAD F1206 >ARG~F 30 7.14 38.71 37.87 10.16 38.94 38.40 8.65 38.82 38.14 2 0 -4.43 -999 ? C2A FAD F1206s >LYS~F 31 3.63 33.48 37.09 1.07 36.62 33.25 2.35 35.05 35.17 2 0 11.45 -999 ? N6A FAD F1206 >THR~F 32 4.03 30.61 39.58 3.99 29.00 38.15 4.01 29.80 38.86 2 0 9.06 -999 ? O4 PO4 E2103 >LEU~F 33 8.62 30.68 40.64 9.01 28.66 40.00 8.81 29.67 40.32 3 0 -7.58 -999 ? N6A FAD F1206s >ARG.F 34 4.95 33.45 46.71 4.88 35.17 49.26 4.91 34.31 47.99 2 0 -4.98 -999 ? N7A FAD F1206s >HIS.F 35 10.46 34.36 47.77 8.97 34.74 49.20 9.72 34.55 48.49 3 0 -4.34 -999 ? O4B FAD F1206s >LEU^F 36 12.47 35.24 40.73 11.19 34.01 39.50 11.83 34.62 40.11 3 0 -4.30 -999 ? C2A FAD F1206s >ASP^F 37 17.28 35.02 44.01 16.19 35.52 45.76 16.74 35.27 44.89 2 0 -2.89 -999 ? O3P FAD F1206s >TRP^F 38 21.63 32.22 40.01 20.12 30.44 43.18 20.88 31.33 41.59 3 0 -3.60 -999 ? C5X FAD F1206s >PHE^F 39 19.25 34.65 34.91 20.29 36.92 33.63 19.77 35.78 34.27 3 0 7.79 -999 ? O4 FAD F1206 >GLU^F 40 23.28 30.28 37.23 23.52 28.61 38.51 23.40 29.45 37.87 2 0 5.41 -999 ? C6 FAD F1206 >VAL^F 41 22.56 30.56 31.19 22.54 31.89 29.46 22.55 31.22 30.32 3 0 10.35 -999 ? O4 FAD F1206 >LYS^F 42 23.23 26.90 30.39 23.30 23.28 33.34 23.27 25.09 31.87 2 0 11.64 -999 ? C7M FAD G1207 >GLU^F 43 22.54 24.39 26.99 21.45 22.71 26.26 22.00 23.55 26.63 2 0 5.69 -999 ? C7M FAD G1207 >ILE^F 44 23.08 30.53 23.51 23.28 31.95 23.56 23.18 31.24 23.53 3 0 10.06 -999 ? C7M FAD G1207 >ARG^F 45 19.90 24.43 22.50 20.73 21.59 21.64 20.31 23.01 22.07 2 0 -4.68 -999 ? C6 FAD G1207s >GLY^F 46 18.01 28.26 18.11 18.42 27.61 17.81 18.21 27.94 17.96 1 0 7.22 -999 ? C8M FAD G1207 >THR^F 47 16.23 27.38 14.91 14.19 27.20 15.55 15.21 27.29 15.23 2 0 -7.37 -999 ? C4' FAD G1207s >ILE^F 48 18.30 27.93 10.76 19.69 27.94 10.48 19.00 27.93 10.62 3 0 12.99 -999 ? C1' FAD G1207 >GLY^F 49 14.73 29.86 8.68 15.56 30.09 8.60 15.15 29.97 8.64 1 0 11.40 -999 ? O3 PO4 F2107 >GLU.F 50 13.47 30.23 3.76 14.88 28.87 2.94 14.17 29.55 3.35 2 0 16.73 -999 ? O3 PO4 F2107 >ALA.F 51 16.17 34.70 6.82 15.10 35.73 7.17 15.63 35.22 7.00 2 0 13.41 -999 ? O3 PO4 F2107 >GLY^F 52 18.67 33.26 9.29 17.86 33.08 9.40 18.26 33.17 9.34 1 0 13.39 -999 ? O3 PO4 F2107 >VAL^F 53 17.76 32.91 12.96 18.66 33.37 14.90 18.21 33.14 13.93 3 0 10.39 -999 ? O3 PO4 F2107 >LYS^F 54 14.11 31.99 13.31 9.10 32.84 11.97 11.60 32.42 12.64 2 0 6.51 -999 ? O3 PO4 F2107 >GLU^F 55 12.43 30.40 18.94 11.02 28.85 19.33 11.73 29.63 19.13 2 0 -3.58 -999 ? O3 PO4 F2107s >TYR^F 56 17.74 34.45 19.10 19.13 35.96 17.21 18.44 35.20 18.16 3 0 9.39 -999 ? O4 PO4 F2107 >GLN^F 57 15.25 28.16 20.84 15.08 26.21 20.00 15.16 27.18 20.42 2 0 3.38 -999 ? C8M FAD G1207s >VAL^F 58 18.14 30.35 25.80 18.99 32.29 26.29 18.56 31.32 26.05 3 0 8.03 -999 ? C7M FAD G1207 >VAL^F 59 18.30 27.45 28.25 18.57 25.33 27.83 18.43 26.39 28.04 3 0 5.17 -999 ? C7M FAD G1207 >LEU^F 60 18.46 30.23 31.81 16.60 31.31 32.11 17.53 30.77 31.96 3 0 10.57 -999 ? C7M FAD G1207 >GLU^F 61 20.05 25.73 35.46 18.72 24.16 35.90 19.38 24.95 35.68 2 0 9.46 -999 ? O4 PO4 E2103 >VAL^F 62 16.38 30.04 37.55 14.68 31.17 36.77 15.53 30.60 37.16 3 0 10.18 -999 ? O4 PO4 E2103 >GLY^F 63 17.07 30.13 41.27 16.58 30.73 40.95 16.82 30.43 41.11 1 0 7.24 -999 ? C7 FAD F1206 >PHE^F 64 12.56 29.76 42.92 11.54 27.22 42.35 12.05 28.49 42.63 3 0 7.46 -999 ? O4 PO4 E2103 >ARG^F 65 14.72 33.02 50.92 12.44 35.01 50.45 13.58 34.02 50.69 2 0 -3.25 -999 ? O5B FAD F1206s >LEU.F 66 12.08 26.97 49.25 12.12 25.44 47.73 12.10 26.21 48.49 3 0 10.05 -999 ? O1 PO4 E2103 >GLU.F 67 7.09 30.34 50.36 7.28 32.40 50.85 7.19 31.37 50.60 2 0 7.23 -999 ? N7A FAD F1206 >GLU.F 68 11.71 29.82 56.39 12.78 28.16 57.15 12.25 28.99 56.77 2 0 10.66 -999 ? O1P FAD F1206 >GLY.G 2 7.70 33.95 22.81 7.96 33.88 23.60 7.83 33.92 23.21 1 0 -3.39 -999 ? O4 PO4 F2107s >LYS.G 3 7.09 30.36 23.86 6.71 29.27 19.15 6.90 29.81 21.51 2 0 2.81 -999 ? O2 PO4 F2107s >VAL^G 4 8.72 29.00 26.98 9.07 30.30 28.71 8.89 29.65 27.85 3 0 8.02 -999 ? O2 PO4 F2107 >TYR^G 5 9.99 24.84 25.19 9.01 25.28 22.62 9.50 25.06 23.91 3 0 -3.85 -999 ? O4' FAD G1207s >LYS^G 6 10.55 23.63 30.88 8.15 22.83 36.74 9.35 23.23 33.81 2 0 -3.01 -999 ? O4 PO4 E2103s >LYS^G 7 13.00 20.77 31.40 18.39 21.04 28.90 15.70 20.91 30.15 2 0 5.99 -999 ? C7M FAD G1207 >VAL^G 8 12.57 18.22 34.18 10.94 16.85 34.70 11.76 17.54 34.44 3 0 -4.81 -999 ? O2 PO4 E2103s >GLU^G 9 17.56 15.03 35.72 19.41 15.75 36.41 18.49 15.39 36.06 2 0 8.48 -999 ? C7M FAD E1205 >LEU^G 10 12.67 11.71 34.67 10.69 12.54 34.94 11.68 12.13 34.80 3 0 8.74 -999 ? O2 PO4 E2103 >VAL^G 11 15.59 8.70 35.88 17.29 8.46 37.20 16.44 8.58 36.54 3 0 -4.62 -999 ? C7M FAD E1205s >GLY^G 12 13.82 5.94 34.02 14.63 5.88 34.33 14.22 5.91 34.17 1 0 7.33 -999 ? C8M FAD E1205 >THR^G 13 14.63 2.41 35.09 14.46 2.53 37.25 14.55 2.47 36.17 2 0 -3.77 -999 ? O1 PO4 G2109s >SER^G 14 13.96 -1.00 33.59 12.99 -1.96 31.58 13.48 -1.48 32.58 2 0 -5.34 -999 ? O1 PO4 G2109s >GLU.G 15 14.85 -5.16 36.16 14.14 -6.61 37.51 14.49 -5.88 36.84 2 0 -4.26 -999 ? O3 PO4 G2109s >GLU.G 16 11.97 -5.00 29.91 10.24 -4.17 29.02 11.10 -4.58 29.47 2 0 -8.46 -999 ? O3 PO4 G2109s >GLY~G 17 17.17 -2.61 28.52 16.63 -2.12 28.91 16.90 -2.36 28.71 1 0 6.73 -999 ? K K G1153 >LEU~G 18 19.38 1.33 26.76 21.43 1.50 27.39 20.40 1.42 27.07 3 0 4.59 -999 ? K K G1153 >GLU~G 19 15.79 1.71 22.89 17.61 0.68 22.54 16.70 1.20 22.72 2 0 -2.59 -999 ? K K G1153s >ALA~G 20 12.84 0.40 27.97 12.79 -1.05 28.47 12.82 -0.33 28.22 2 0 8.36 -999 ? O1 PO4 G2109 >ALA~G 21 14.37 2.58 30.69 15.83 2.58 31.09 15.10 2.58 30.90 2 0 7.24 -999 ? O1 PO4 G2109 >ILE~G 22 14.62 5.88 27.12 15.47 6.60 26.21 15.04 6.24 26.66 3 0 9.05 -999 ? K K G1153 >GLN~G 23 10.51 3.38 25.44 9.29 4.43 24.03 9.90 3.90 24.73 2 0 11.75 -999 ? K K G1153 >ALA~G 24 9.59 4.16 31.35 10.35 3.31 32.36 9.97 3.73 31.86 2 0 6.85 -999 ? O1 PO4 G2109 >ALA~G 25 10.61 7.74 32.11 12.01 8.34 31.95 11.31 8.04 32.03 2 0 10.43 -999 ? C8M FAD E1205 >LEU~G 26 8.88 8.97 27.73 10.50 9.99 26.72 9.69 9.48 27.22 3 0 11.93 -999 ? O2' FAD G1207 >ALA~G 27 5.53 7.11 30.18 5.46 5.60 30.32 5.50 6.36 30.25 2 0 12.11 -999 ? O1 PO4 G2109 >ARG~G 28 5.04 8.48 36.63 4.30 10.82 38.47 4.67 9.65 37.55 2 0 10.75 -999 ? O3 PO4 E2103 >ALA~G 29 6.28 12.07 32.44 7.39 12.49 31.47 6.84 12.28 31.95 2 0 10.38 -999 ? O2 PO4 E2103 >ARG~G 30 1.60 9.92 27.35 2.80 11.66 25.15 2.20 10.79 26.25 2 0 5.83 -999 ? C6A FAD G1207 >LYS~G 31 1.01 11.38 33.38 1.24 5.34 35.28 1.13 8.36 34.33 2 0 12.79 -999 ? O2 PO4 G2109 >THR.G 32 1.52 14.90 34.73 2.62 14.35 36.50 2.07 14.63 35.61 2 0 9.24 -999 ? O3 PO4 E2103 >LEU.G 33 4.82 16.70 31.92 6.18 17.10 33.55 5.50 16.90 32.74 3 0 7.67 -999 ? O2 PO4 E2103 >ARG.G 34 -1.98 19.26 29.65 -2.74 20.75 32.23 -2.36 20.00 30.94 2 0 7.87 -999 ? N7A FAD G1207 >HIS.G 35 1.71 21.20 25.67 -0.31 21.79 25.76 0.70 21.49 25.71 3 0 -3.64 -999 ? C8A FAD G1207s >LEU^G 36 6.04 15.31 26.32 5.98 14.67 28.39 6.01 14.99 27.35 3 0 7.14 -999 ? N7A FAD G1207 >ASP^G 37 8.74 19.01 22.72 6.94 20.04 22.31 7.84 19.52 22.51 2 0 -2.68 -999 ? O1A FAD G1207s >TRP^G 38 15.06 17.92 24.05 13.17 21.21 25.11 14.11 19.56 24.58 3 0 -3.54 -999 ? C5X FAD G1207s >PHE^G 39 14.27 11.92 25.19 14.76 9.86 23.37 14.51 10.89 24.28 3 0 7.78 -999 ? O4 FAD G1207 >GLU^G 40 18.23 16.95 25.78 18.59 18.86 26.62 18.41 17.91 26.20 2 0 5.54 -999 ? C6 FAD G1207 >VAL^G 41 20.10 11.53 27.91 20.28 9.41 27.47 20.19 10.47 27.69 3 0 10.28 -999 ? O4 FAD G1207 >LYS^G 42 22.48 12.76 30.61 21.40 17.61 28.86 21.94 15.18 29.73 2 0 9.17 -999 ? C6 FAD G1207 >GLU^G 43 24.67 10.73 34.15 24.83 10.59 36.25 24.75 10.66 35.20 2 0 5.88 -999 ? C7M FAD E1205 >ILE^G 44 23.70 5.13 30.18 23.28 4.50 28.94 23.49 4.82 29.56 3 0 9.16 -999 ? K K G1153 >ARG^G 45 23.78 6.57 37.05 25.95 7.36 39.09 24.87 6.97 38.07 2 0 -4.73 -999 ? C6 FAD E1205s >GLY^G 46 22.65 0.70 36.48 23.35 0.83 36.84 23.00 0.77 36.66 1 0 7.33 -999 ? C8M FAD E1205 >THR^G 47 22.85 -1.98 39.13 20.97 -1.80 40.17 21.91 -1.89 39.65 2 0 -7.40 -999 ? O4 PO4 G2109s >ILE^G 48 26.09 -5.40 38.92 27.40 -5.43 38.33 26.74 -5.42 38.62 3 0 13.14 -999 ? C1' FAD E1205 >GLY.G 49 22.94 -8.68 39.65 23.59 -8.75 39.13 23.27 -8.72 39.39 1 0 11.15 -999 ? O4 PO4 G2109 >GLU.G 50 21.39 -13.55 39.54 20.35 -15.22 40.32 20.87 -14.38 39.93 2 0 14.46 -999 ? O4 PO4 G2109 >ALA.G 51 22.86 -12.26 35.59 21.47 -12.67 35.12 22.16 -12.47 35.36 2 0 13.30 -999 ? O4 PO4 G2109 >GLY.G 52 24.85 -9.16 34.72 24.22 -9.15 35.26 24.53 -9.16 34.99 1 0 13.57 -999 ? O4 PO4 G2109 >VAL^G 53 22.82 -5.97 34.58 22.59 -4.28 33.21 22.70 -5.13 33.89 3 0 10.51 -999 ? O4 PO4 G2109 >LYS^G 54 20.01 -6.01 37.12 18.54 -6.85 43.19 19.28 -6.43 40.16 2 0 7.89 -999 ? O4 PO4 G2109 >GLU^G 55 16.83 -0.85 37.45 16.13 -0.04 39.29 16.48 -0.44 38.37 2 0 -3.44 -999 ? O4 PO4 G2109s >TYR^G 56 19.55 -1.45 31.51 20.74 -3.67 30.29 20.14 -2.56 30.90 3 0 8.36 -999 ? K K G1153 >GLN^G 57 19.18 2.56 37.19 20.20 2.65 39.06 19.69 2.60 38.13 2 0 3.58 -999 ? C8M FAD E1205s >VAL^G 58 18.84 6.28 32.31 18.69 5.92 30.16 18.77 6.10 31.24 3 0 7.83 -999 ? C7M FAD E1205 >VAL^G 59 19.03 9.84 33.59 20.21 10.61 35.25 19.62 10.22 34.42 3 0 -5.08 -999 ? C7M FAD E1205s >LEU^G 60 16.68 11.46 30.09 14.64 10.72 30.06 15.66 11.09 30.08 3 0 10.45 -999 ? C7M FAD E1205 >GLU^G 61 18.04 17.09 31.43 17.44 18.02 33.22 17.74 17.56 32.33 2 0 9.17 -999 ? O2 PO4 E2103 >VAL^G 62 12.52 15.95 29.33 10.99 14.43 29.59 11.75 15.19 29.46 3 0 10.03 -999 ? O2' FAD G1207 >GLY^G 63 11.53 19.19 27.61 11.03 18.53 27.51 11.28 18.86 27.56 1 0 7.26 -999 ? C7 FAD G1207 >PHE^G 64 7.25 19.85 29.66 7.59 20.46 32.38 7.42 20.16 31.02 3 0 7.57 -999 ? O2 PO4 E2103 >ARG^G 65 4.26 25.28 23.37 1.28 25.23 24.13 2.77 25.26 23.75 2 0 -4.31 -999 ? C5B FAD G1207s >LEU.G 66 5.23 26.50 30.00 6.42 25.86 31.69 5.83 26.18 30.84 3 0 9.76 -999 ? O1A FAD G1207 >GLU.G 67 -0.47 24.47 28.40 -1.96 23.22 29.22 -1.21 23.85 28.81 2 0 7.14 -999 ? N7A FAD G1207 >GLU.G 68 -2.40 31.86 28.41 -4.36 32.21 27.74 -3.38 32.03 28.07 2 0 13.56 -999 ? C5B FAD G1207 >GLY.H 2 52.25 10.01 9.29 51.85 10.75 9.24 52.05 10.38 9.26 1 0 -9.74 -999 ? O1P FAD H1208s >LYS.H 3 48.64 9.17 8.48 49.60 4.59 9.94 49.12 6.88 9.20 2 0 4.81 -999 ? O1P FAD H1208s >VAL.H 4 45.92 11.74 9.06 46.33 13.85 8.71 46.12 12.80 8.89 3 0 8.50 -999 ? C8M FAD H1208 >TYR^H 5 42.74 8.90 11.09 44.26 6.56 11.03 43.50 7.73 11.06 3 0 -3.91 -999 ? O4' FAD H1208s >LYS^H 6 39.25 13.36 9.74 36.52 17.10 5.41 37.88 15.23 7.58 2 0 -2.86 -999 ? O1 PO4 H2104s >LYS^H 7 36.17 13.42 11.96 36.98 13.13 17.84 36.58 13.27 14.90 2 0 5.89 -999 ? C7M FAD H1208 >VAL^H 8 32.72 14.47 10.79 31.40 13.77 9.17 32.06 14.12 9.98 3 0 5.86 -999 ? O3 PO4 H2104 >GLU^H 9 28.68 16.10 15.12 28.99 17.47 16.71 28.84 16.78 15.91 2 0 10.21 -999 ? O4 PO4 H2104 >LEU^H 10 26.62 12.15 11.16 27.46 12.17 9.17 27.04 12.16 10.16 3 0 8.94 -999 ? O3 PO4 H2104 >VAL^H 11 23.15 12.78 13.80 22.18 14.35 14.94 22.67 13.56 14.37 3 0 -9.07 -999 ? O4 FAD G1207s >GLY^H 12 21.61 9.44 12.95 21.35 9.93 13.62 21.48 9.69 13.29 1 0 7.54 -999 ? O1 PO4 H2108 >THR^H 13 17.91 8.97 13.68 17.05 10.76 12.76 17.48 9.87 13.22 2 0 -3.76 -999 ? O1 PO4 H2108s >SER^H 14 15.51 6.05 13.88 15.55 3.63 13.83 15.53 4.84 13.85 2 0 -5.33 -999 ? O1 PO4 H2108s >GLU.H 15 10.51 6.59 13.84 8.60 6.61 12.94 9.56 6.60 13.39 2 0 4.42 -999 ? O3 PO4 H2108 >GLU.H 16 13.14 0.78 13.77 11.08 0.41 14.09 12.11 0.60 13.93 2 0 8.07 -999 ? O3 PO4 H2108 >GLY~H 17 16.24 2.30 18.58 16.48 2.68 17.91 16.36 2.49 18.24 1 0 6.25 -999 ? K K G1153 >LEU~H 18 20.35 3.37 20.83 19.85 4.62 22.52 20.10 3.99 21.67 3 0 4.47 -999 ? K K G1153 >GLU~H 19 22.42 -1.07 18.74 21.39 -1.18 20.59 21.90 -1.13 19.67 2 0 -2.79 -999 ? K K G1153s >ALA~H 20 19.38 1.64 14.38 17.87 1.44 14.31 18.63 1.54 14.35 2 0 8.24 -999 ? O1 PO4 H2108 >ALA~H 21 20.05 5.37 14.72 19.73 6.23 15.93 19.89 5.80 15.32 2 0 7.14 -999 ? O1 PO4 H2108 >ILE~H 22 24.55 3.91 15.89 25.49 3.72 16.93 25.02 3.81 16.41 3 0 9.16 -999 ? K K G1153 >GLN~H 23 23.36 0.08 12.70 25.00 -1.06 11.93 24.18 -0.49 12.31 2 0 12.04 -999 ? K K G1153 >ALA~H 24 21.59 5.10 9.87 20.31 5.79 10.33 20.95 5.45 10.10 2 0 6.86 -999 ? O1 PO4 H2108 >ALA~H 25 24.36 7.66 10.33 24.84 8.25 11.65 24.60 7.95 10.99 2 0 10.65 -999 ? O1 PO4 H2108 >LEU~H 26 27.50 3.94 10.08 28.73 4.08 11.85 28.11 4.01 10.97 3 0 9.23 -999 ? N1A FAD H1208 >ALA~H 27 25.11 4.11 6.25 23.69 3.53 6.24 24.40 3.82 6.24 2 0 10.86 -999 ? N1A FAD H1208 >ARG~H 28 23.43 9.88 3.67 24.09 12.45 2.10 23.76 11.17 2.89 2 0 10.25 -999 ? O3 PO4 H2104 >ALA~H 29 28.50 8.41 5.78 29.25 8.15 7.08 28.87 8.28 6.43 2 0 8.19 -999 ? N1A FAD H1208 >ARG~H 30 29.01 1.63 3.36 29.47 -0.14 0.89 29.24 0.75 2.13 2 0 5.81 -999 ? N6A FAD H1208 >LYS~H 31 27.63 7.24 0.53 23.15 4.34 2.13 25.39 5.79 1.33 2 0 11.00 -999 ? N6A FAD H1208 >THR~H 32 30.29 9.93 0.15 28.95 11.57 0.52 29.62 10.75 0.34 2 0 8.67 -999 ? O3 PO4 H2104 >LEU~H 33 33.00 9.40 3.98 32.75 11.40 4.74 32.88 10.40 4.36 3 0 7.67 -999 ? O3 PO4 H2104 >ARG.H 34 35.63 5.65 -0.63 37.85 4.51 -2.40 36.74 5.08 -1.51 2 0 -4.87 -999 ? N7A FAD H1208s >HIS.H 35 39.93 5.04 3.43 40.71 4.74 1.51 40.32 4.89 2.47 3 0 -4.27 -999 ? O4B FAD H1208s >LEU^H 36 33.87 4.61 7.59 32.51 6.10 6.81 33.19 5.35 7.20 3 0 -4.30 -999 ? N1A FAD H1208s >ASP^H 37 38.62 3.95 10.96 39.80 3.45 9.28 39.21 3.70 10.12 2 0 -2.77 -999 ? O1A FAD H1208s >TRP^H 38 36.51 6.64 16.59 39.21 8.29 14.24 37.86 7.47 15.42 3 0 -3.57 -999 ? C5X FAD H1208s >PHE^H 39 30.68 4.82 15.85 29.54 2.55 17.04 30.11 3.68 16.45 3 0 7.84 -999 ? O4 FAD H1208 >GLU^H 40 34.65 8.65 19.22 36.05 10.24 19.08 35.35 9.44 19.15 2 0 5.37 -999 ? C6 FAD H1208 >VAL^H 41 28.72 8.86 20.51 26.97 7.68 21.01 27.84 8.27 20.76 3 0 10.33 -999 ? O4 FAD H1208 >LYS^H 42 28.56 12.48 21.66 31.99 15.64 20.10 30.27 14.06 20.88 2 0 11.72 -999 ? C7M FAD H1208 >GLU^H 43 25.48 15.20 22.11 24.72 16.98 21.22 25.10 16.09 21.66 2 0 7.64 -999 ? O4 FAD G1207 >ILE^H 44 21.71 9.36 23.55 21.70 7.93 23.61 21.71 8.65 23.58 3 0 9.16 -999 ? K K G1153 >ARG^H 45 20.10 15.80 21.13 19.95 18.60 22.39 20.03 17.20 21.76 2 0 -3.66 -999 ? O4 FAD G1207s >GLY^H 46 15.18 12.36 20.77 15.08 12.98 21.27 15.13 12.67 21.02 1 0 5.02 -999 ? N3 FAD G1207 >THR^H 47 11.63 13.51 20.19 11.56 13.86 18.08 11.60 13.68 19.13 2 0 -3.93 -999 ? O2 FAD G1207s >ILE^H 48 8.31 13.10 23.50 8.44 13.00 24.94 8.37 13.05 24.22 3 0 7.70 -999 ? O2' FAD G1207 >GLY^H 49 5.22 11.35 20.58 5.35 11.08 21.38 5.29 11.22 20.98 1 0 8.27 -999 ? N3A FAD G1207 >GLU.H 50 0.10 11.05 20.39 -1.58 10.77 19.13 -0.74 10.91 19.76 2 0 5.47 -999 ? C2A FAD G1207 >ALA.H 51 3.56 6.50 22.39 3.46 5.44 21.29 3.51 5.97 21.84 2 0 10.98 -999 ? C2A FAD G1207 >GLY^H 52 6.74 7.71 24.07 6.58 7.93 23.26 6.66 7.82 23.67 1 0 11.31 -999 ? N1A FAD G1207 >VAL^H 53 9.89 7.98 22.00 11.96 7.31 22.17 10.92 7.65 22.09 3 0 10.37 -999 ? O4 PO4 H2108 >LYS^H 54 9.05 9.16 18.49 5.66 9.14 14.31 7.36 9.15 16.40 2 0 6.90 -999 ? O4 PO4 H2108 >GLU^H 55 13.83 10.55 15.06 13.82 12.21 13.73 13.83 11.38 14.40 2 0 -3.48 -999 ? O4 PO4 H2108s >TYR^H 56 15.54 6.17 19.80 14.09 4.63 21.63 14.81 5.40 20.72 3 0 7.99 -999 ? K K G1153 >GLN^H 57 16.80 12.51 17.18 16.07 14.48 17.43 16.44 13.50 17.31 2 0 2.99 -999 ? N3 FAD G1207s >VAL^H 58 22.24 9.82 18.21 22.83 7.79 18.75 22.53 8.80 18.48 3 0 10.21 -999 ? O4 FAD G1207 >VAL^H 59 24.86 12.52 17.70 24.75 14.63 18.21 24.80 13.58 17.95 3 0 -8.89 -999 ? O4 FAD G1207s >LEU^H 60 28.01 9.54 16.49 27.61 8.49 14.64 27.81 9.01 15.56 3 0 11.45 -999 ? O4 FAD H1208 >GLU^H 61 32.44 13.53 17.05 32.56 15.19 15.75 32.50 14.36 16.40 2 0 9.53 -999 ? O4 PO4 H2104 >VAL^H 62 32.73 9.46 12.60 31.38 8.52 11.17 32.06 8.99 11.88 3 0 10.08 -999 ? O2' FAD H1208 >GLY^H 63 36.46 9.06 12.09 35.95 8.54 11.69 36.20 8.80 11.89 1 0 7.22 -999 ? C7 FAD H1208 >PHE^H 64 36.60 9.73 7.29 36.03 12.40 6.59 36.32 11.07 6.94 3 0 8.16 -999 ? O1 PO4 H2104 >ARG^H 65 44.37 5.56 6.47 44.04 5.11 3.45 44.21 5.34 4.96 2 0 -4.34 -999 ? C5B FAD H1208s >LEU.H 66 42.73 11.98 4.96 41.34 13.55 5.44 42.04 12.77 5.20 3 0 9.83 -999 ? O1A FAD H1208 >GLU.H 67 44.47 9.15 -1.07 43.69 9.43 -3.00 44.08 9.29 -2.03 2 0 11.11 -999 ? C8A FAD H1208 >GLU.H 68 50.37 9.25 1.61 51.69 7.62 1.83 51.03 8.43 1.72 2 0 10.69 -999 ? O1P FAD H1208 >THR.H 69 49.21 13.11 -0.20 47.63 14.41 0.47 48.42 13.76 0.14 2 0 14.12 -999 ? O1P FAD H1208