REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 06-MAY-07 2YZY COMPND PUTATIVE UNCHARACTERIZED PROTEIN TTHA1012; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 15-214; COMPND 5 SYNONYM: UNCHARACTERIZED CONSERVED PROTEIN; COMPND 6 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: ROSETTA(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-11A AUTHOR A.EBIHARA,N.WATANABE,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET MPD A 501 8 HET MPD A 502 8 HET MPD A 503 8 HET MPD A 504 8 SITE 1 AC1 7 GLN A 42 ARG A 57 GLY A 135 GLU A 136 SITE 1 AC2 6 GLU A 134 LYS A 146 GLU A 161 ALA A 209 SITE 1 AC3 8 GLU A 78 GLY A 79 TYR A 94 ASN A 196 SITE 1 AC4 6 GLN A 38 ALA A 39 ASN A 97 GLU A 191 >GLN~A 20 21.81 24.36 9.50 22.59 26.27 8.98 22.20 25.31 9.24 2 0 21.69 -999 ? CM MPD A 502 >SER~A 21 22.13 20.95 13.30 23.01 20.16 15.42 22.57 20.56 14.36 2 0 15.69 -999 ? O4 MPD A 502 >ALA~A 22 20.24 17.91 12.05 18.72 17.79 11.94 19.48 17.85 12.00 2 0 13.03 -999 ? CM MPD A 502 >GLN~A 23 21.65 19.89 6.30 20.82 18.27 5.20 21.24 19.08 5.75 2 0 18.99 -999 ? CM MPD A 502 >GLU~A 24 27.02 19.43 11.15 27.72 20.65 12.72 27.37 20.04 11.94 2 0 20.93 -999 ? O4 MPD A 502 >ILE~A 25 23.71 15.05 12.51 23.44 14.65 13.87 23.57 14.85 13.19 3 0 15.58 -999 ? O2 MPD A 502 >LEU~A 26 21.75 14.24 7.66 19.82 13.57 8.33 20.79 13.91 8.00 3 0 16.11 -999 ? CM MPD A 502 >ASP~A 27 26.30 16.72 6.08 24.76 17.93 5.26 25.53 17.32 5.67 2 0 21.51 -999 ? CM MPD A 502 >ARG~A 28 29.06 15.40 11.89 31.35 17.44 11.91 30.20 16.42 11.90 2 0 23.51 -999 ? O2 MPD A 502 >VAL~A 29 26.65 10.28 8.13 24.85 9.39 8.98 25.75 9.84 8.55 3 0 16.94 -999 ? C1 MPD A 504 >GLU~A 30 25.97 11.35 2.01 24.75 12.72 0.96 25.36 12.03 1.48 2 0 21.64 -999 ? C1 MPD A 504 >LYS~A 31 30.33 11.17 4.19 27.44 14.37 2.54 28.89 12.77 3.37 2 0 22.60 -999 ? C1 MPD A 504 >ASN~A 32 30.62 8.66 8.31 31.58 7.29 9.62 31.10 7.98 8.96 2 0 15.33 -999 ? C1 MPD A 504 >LEU~A 33 27.76 5.56 5.26 27.11 4.63 7.09 27.44 5.10 6.18 3 0 12.69 -999 ? C1 MPD A 504 >SER.A 34 30.73 6.54 1.48 32.82 7.73 1.86 31.78 7.13 1.67 2 0 17.97 -999 ? C1 MPD A 504 >THR.A 35 32.51 3.16 1.45 34.18 3.46 2.80 33.35 3.31 2.13 2 0 14.48 -999 ? CM MPD A 504 >PRO.A 36 32.25 -0.64 -0.62 31.30 0.28 1.17 31.77 -0.18 0.28 3 0 12.09 -999 ? CM MPD A 504 >TRP^A 37 27.80 1.71 4.04 24.15 0.70 5.10 25.97 1.21 4.57 3 0 9.69 -999 ? C1 MPD A 504 >GLN^A 38 27.98 -6.13 5.61 28.55 -7.94 4.63 28.26 -7.04 5.12 2 0 -3.74 -999 ? CM MPD A 504s >ALA^A 39 24.10 -4.34 8.43 23.66 -2.91 8.75 23.88 -3.62 8.59 2 0 -4.94 -999 ? C1 MPD A 504s >THR^A 40 21.31 -6.25 10.10 21.55 -8.19 11.00 21.43 -7.22 10.55 2 0 4.15 -999 ? C4 MPD A 501 >VAL^A 41 17.99 -4.49 10.69 17.30 -2.76 9.54 17.65 -3.63 10.12 3 0 9.19 -999 ? C1 MPD A 501 >GLN^A 42 15.27 -7.62 15.09 16.24 -8.99 16.39 15.75 -8.31 15.74 2 0 -3.91 -999 ? CM MPD A 501s >GLY^A 43 12.36 -4.46 14.71 12.13 -5.13 14.28 12.25 -4.80 14.50 1 0 9.68 -999 ? CM MPD A 501 >ARG^A 44 7.58 -3.56 18.46 6.11 -0.95 19.15 6.84 -2.26 18.81 2 0 13.03 -999 ? C1 MPD A 502 >ILE.A 45 6.60 -3.23 10.84 7.44 -3.85 9.83 7.02 -3.54 10.33 3 0 15.05 -999 ? CM MPD A 501 >GLU.A 51 3.99 -5.57 16.18 4.38 -5.01 18.18 4.18 -5.29 17.18 2 0 16.06 -999 ? CM MPD A 501 >GLU.A 52 3.33 -9.36 11.40 3.14 -10.38 9.56 3.23 -9.87 10.48 2 0 15.37 -999 ? C1 MPD A 503 >GLU^A 53 10.96 -9.61 14.46 12.06 -11.23 15.29 11.51 -10.42 14.87 2 0 6.55 -999 ? CM MPD A 501 >LEU^A 54 10.73 -6.12 10.05 11.04 -5.45 8.02 10.89 -5.79 9.03 3 0 11.57 -999 ? CM MPD A 501 >LEU^A 55 14.68 -10.25 10.77 16.56 -10.82 11.70 15.62 -10.53 11.23 3 0 4.96 -999 ? C3 MPD A 501 >ALA^A 56 16.67 -8.16 7.13 15.93 -7.13 6.28 16.30 -7.64 6.71 2 0 8.30 -999 ? C5 MPD A 501 >ARG^A 57 22.36 -11.07 6.20 21.75 -13.91 7.19 22.05 -12.49 6.69 2 0 -4.03 -999 ? C5 MPD A 501s >VAL^A 58 21.25 -4.61 4.19 20.18 -2.78 4.67 20.72 -3.69 4.43 3 0 8.07 -999 ? O2 MPD A 504 >TYR^A 59 24.33 -6.57 1.50 24.31 -8.93 2.96 24.32 -7.75 2.23 3 0 6.26 -999 ? O2 MPD A 504 >ALA^A 60 25.49 -0.83 0.31 25.31 0.35 1.27 25.40 -0.24 0.79 2 0 11.20 -999 ? C1 MPD A 504 >LEU^A 61 28.14 -1.13 -3.55 30.03 -1.73 -4.41 29.08 -1.43 -3.98 3 0 14.13 -999 ? CM MPD A 504 >PRO~A 62 28.18 3.55 -0.18 27.92 3.05 -2.33 28.05 3.30 -1.26 3 0 15.06 -999 ? CM MPD A 504 >GLN~A 63 32.56 4.41 -6.53 34.66 4.29 -6.25 33.61 4.35 -6.39 2 0 20.43 -999 ? CM MPD A 504 >ALA~A 64 28.18 2.17 -7.65 28.40 0.66 -7.73 28.29 1.42 -7.69 2 0 18.38 -999 ? CM MPD A 504 >ARG~A 65 24.20 6.85 -8.24 26.45 8.88 -8.71 25.33 7.87 -8.48 2 0 24.24 -999 ? CM MPD A 504 >LEU^A 66 24.71 -1.15 -5.96 24.80 -1.87 -7.99 24.75 -1.51 -6.97 3 0 16.96 -999 ? O2 MPD A 504 >PHE^A 67 20.57 0.14 -0.52 19.97 0.35 2.20 20.27 0.24 0.84 3 0 12.86 -999 ? C1 MPD A 504 >ARG^A 68 21.45 -8.06 -2.71 20.42 -10.39 -4.44 20.93 -9.23 -3.57 2 0 10.67 -999 ? O4 MPD A 503 >VAL^A 69 17.97 -5.54 1.21 16.75 -4.06 2.24 17.36 -4.80 1.73 3 0 11.24 -999 ? O2 MPD A 504 >GLU^A 70 19.46 -9.94 0.71 21.23 -11.09 0.65 20.35 -10.52 0.68 2 0 8.99 -999 ? O2 MPD A 504 >PHE^A 71 12.83 -8.48 3.25 12.63 -5.80 2.48 12.73 -7.14 2.86 3 0 11.44 -999 ? C1 MPD A 503 >LEU^A 72 15.66 -12.91 7.75 17.69 -13.43 7.20 16.68 -13.17 7.48 3 0 5.23 -999 ? C5 MPD A 501 >LYS^A 73 11.25 -12.21 8.76 13.48 -13.90 14.43 12.37 -13.06 11.60 2 0 5.54 -999 ? CM MPD A 501 >PRO.A 74 6.83 -10.61 8.00 8.67 -11.72 8.55 7.75 -11.16 8.28 3 0 11.37 -999 ? C1 MPD A 503 >GLY.A 75 7.28 -15.49 6.93 7.14 -14.73 6.71 7.21 -15.11 6.82 1 0 8.66 -999 ? O2 MPD A 503 >SER.A 76 5.56 -13.53 4.17 4.88 -11.40 5.11 5.22 -12.47 4.64 2 0 11.82 -999 ? C1 MPD A 503 >LEU.A 77 9.19 -10.46 3.88 8.05 -8.66 3.58 8.62 -9.56 3.73 3 0 10.48 -999 ? C1 MPD A 503 >GLU.A 78 12.20 -16.75 5.20 11.61 -18.53 6.17 11.91 -17.64 5.69 2 0 -3.60 -999 ? O2 MPD A 503s >GLY.A 79 13.67 -15.00 1.10 13.35 -14.28 1.22 13.51 -14.64 1.16 1 0 -3.63 -999 ? C1 MPD A 503s >ASN.A 80 11.39 -10.93 -0.30 9.49 -11.81 -0.59 10.44 -11.37 -0.44 2 0 8.42 -999 ? C1 MPD A 503 >PHE^A 81 16.65 -10.31 -3.32 17.06 -11.25 -5.93 16.86 -10.78 -4.63 3 0 9.77 -999 ? O4 MPD A 503 >THR^A 82 15.22 -5.71 -3.10 13.77 -4.22 -2.53 14.49 -4.97 -2.82 2 0 15.01 -999 ? C1 MPD A 503 >VAL^A 83 17.97 -4.33 -5.31 19.37 -5.54 -6.45 18.67 -4.94 -5.88 3 0 15.70 -999 ? O4 MPD A 503 >ILE^A 84 17.75 0.35 -4.63 16.84 1.15 -3.88 17.30 0.75 -4.25 3 0 17.83 -999 ? O2 MPD A 504 >THR.A 85 20.11 1.20 -8.49 19.90 -0.22 -10.10 20.01 0.49 -9.30 2 0 21.08 -999 ? O2 MPD A 504 >GLU.A 86 21.77 5.09 -11.65 23.09 6.47 -12.57 22.43 5.78 -12.11 2 0 26.02 -999 ? O2 MPD A 504 >LYS.A 87 18.05 3.58 -12.73 16.31 1.06 -17.08 17.18 2.32 -14.91 2 0 26.69 -999 ? O4 MPD A 503 >GLU.A 88 16.24 -1.16 -12.71 16.23 -1.92 -14.68 16.24 -1.54 -13.69 2 0 22.87 -999 ? O4 MPD A 503 >VAL^A 89 14.41 -1.16 -8.50 13.51 -0.26 -6.73 13.96 -0.71 -7.62 3 0 20.26 -999 ? C1 MPD A 503 >TRP^A 90 15.67 -4.81 -11.04 19.07 -6.75 -11.45 17.37 -5.78 -11.24 3 0 17.71 -999 ? O4 MPD A 503 >ASN^A 91 10.53 -5.93 -5.58 10.87 -4.14 -4.50 10.70 -5.03 -5.04 2 0 16.07 -999 ? C1 MPD A 503 >TYR^A 92 13.36 -12.64 -5.92 12.93 -15.38 -6.32 13.15 -14.01 -6.12 3 0 8.98 -999 ? O4 MPD A 503 >LEU^A 93 7.81 -11.91 -4.69 6.97 -9.92 -4.59 7.39 -10.92 -4.64 3 0 12.01 -999 ? C1 MPD A 503 >TYR.A 94 11.79 -17.25 -1.61 12.95 -19.79 -1.42 12.37 -18.52 -1.52 3 0 -3.89 -999 ? C1 MPD A 503s >LEU.A 95 6.22 -17.40 -1.56 6.40 -18.30 0.40 6.31 -17.85 -0.58 3 0 8.02 -999 ? C1 MPD A 503 >THR.A 96 5.91 -16.50 -6.09 4.90 -14.62 -5.70 5.40 -15.56 -5.90 2 0 12.47 -999 ? C1 MPD A 503 >ASN.A 97 9.50 -17.92 -8.42 11.26 -18.13 -9.62 10.38 -18.03 -9.02 2 0 -11.30 -999 ? O4 MPD A 503s >GLN^A 98 6.06 -13.47 -9.53 4.15 -12.67 -9.06 5.10 -13.07 -9.30 2 0 15.88 -999 ? C1 MPD A 503 >LEU^A 99 12.47 -10.73 -10.75 14.39 -9.81 -10.36 13.43 -10.27 -10.56 3 0 14.42 -999 ? O4 MPD A 503 >VAL^A 100 9.34 -7.11 -10.19 7.48 -6.58 -9.17 8.41 -6.85 -9.68 3 0 17.43 -999 ? C1 MPD A 503 >ILE^A 101 12.00 -4.98 -13.51 13.19 -5.39 -14.25 12.60 -5.19 -13.88 3 0 20.35 -999 ? O4 MPD A 503 >SER^A 102 10.32 -0.89 -11.79 8.54 -1.67 -10.31 9.43 -1.28 -11.05 2 0 21.56 -999 ? C1 MPD A 503 >PRO.A 103 10.33 2.37 -14.64 11.42 1.87 -12.76 10.88 2.12 -13.70 3 0 26.13 -999 ? C1 MPD A 503 >GLN.A 128 9.32 13.89 2.90 8.05 12.32 2.19 8.68 13.11 2.54 2 0 16.86 -999 ? CM MPD A 502 >VAL.A 129 10.76 14.73 7.23 10.23 13.26 8.74 10.50 13.99 7.99 3 0 11.20 -999 ? CM MPD A 502 >ASP^A 130 10.57 19.20 9.07 11.48 21.01 9.66 11.02 20.10 9.37 2 0 12.82 -999 ? CM MPD A 502 >LEU^A 131 15.19 15.52 10.76 14.82 13.39 10.67 15.01 14.45 10.71 3 0 10.35 -999 ? CM MPD A 502 >ARG^A 132 14.33 21.32 12.95 11.82 23.05 12.65 13.08 22.19 12.80 2 0 12.57 -999 ? CM MPD A 502 >LEU^A 133 19.67 18.26 16.62 21.30 17.39 17.75 20.48 17.83 17.18 3 0 11.97 -999 ? O4 MPD A 502 >GLU^A 134 14.71 16.61 21.61 13.39 15.09 22.20 14.05 15.85 21.90 2 0 -2.97 -999 ? O4 MPD A 502s >GLY^A 135 19.68 16.27 21.92 19.50 15.66 21.36 19.59 15.96 21.64 1 0 -9.26 -999 ? O4 MPD A 502s >GLU^A 136 23.53 14.19 24.25 25.61 14.50 24.43 24.57 14.34 24.34 2 0 -14.90 -999 ? O4 MPD A 502s >VAL^A 137 20.99 9.89 24.54 19.35 8.57 23.96 20.17 9.23 24.25 3 0 10.58 -999 ? O4 MPD A 502 >ARG^A 138 25.35 5.54 28.53 26.86 8.21 28.32 26.11 6.87 28.43 2 0 17.87 -999 ? O4 MPD A 502 >LEU^A 139 22.12 3.92 22.24 20.40 4.90 21.39 21.26 4.41 21.82 3 0 13.15 -999 ? O2 MPD A 502 >PRO.A 140 21.87 -0.51 23.96 23.58 0.91 23.91 22.72 0.20 23.94 3 0 14.19 -999 ? C1 MPD A 501 >GLU.A 141 25.14 0.35 19.04 23.32 -0.12 20.00 24.23 0.11 19.52 2 0 11.95 -999 ? C1 MPD A 501 >GLY^A 142 27.28 4.48 22.94 26.51 4.52 22.63 26.89 4.50 22.78 1 0 17.66 -999 ? C1 MPD A 504 >MET^A 143 26.31 8.15 22.88 26.01 9.29 25.78 26.16 8.72 24.33 2 0 16.16 -999 ? O4 MPD A 502 >ALA^A 144 23.94 9.01 20.06 23.04 7.84 19.70 23.49 8.42 19.88 2 0 13.30 -999 ? O2 MPD A 502 >TRP^A 145 24.12 14.59 18.51 26.95 13.51 15.99 25.54 14.05 17.25 3 0 15.75 -999 ? O2 MPD A 502 >LYS^A 146 18.31 11.90 18.83 12.93 12.00 22.15 15.62 11.95 20.49 2 0 -2.85 -999 ? O2 MPD A 502s >LEU^A 147 17.28 13.49 14.42 19.22 14.16 13.74 18.25 13.82 14.08 3 0 10.46 -999 ? CM MPD A 502 >VAL^A 148 13.00 14.32 15.76 12.83 14.95 17.85 12.91 14.63 16.80 3 0 4.86 -999 ? CM MPD A 502 >GLY^A 149 10.64 15.51 13.05 10.23 14.95 13.48 10.44 15.23 13.27 1 0 6.83 -999 ? CM MPD A 502 >ARG^A 150 3.93 18.26 13.08 5.99 20.02 14.54 4.96 19.14 13.81 2 0 9.25 -999 ? CM MPD A 502 >SER.A 151 5.26 14.47 9.18 3.93 16.47 8.82 4.59 15.47 9.00 2 0 12.08 -999 ? CM MPD A 502 >GLN.A 155 0.24 11.15 3.71 -0.06 13.00 4.74 0.09 12.08 4.22 2 0 16.97 -999 ? CM MPD A 502 >GLY.A 156 1.52 7.30 6.98 2.01 7.85 7.34 1.76 7.58 7.16 1 0 15.17 -999 ? CM MPD A 502 >PHE.A 157 5.35 8.63 9.82 7.43 9.90 8.44 6.39 9.27 9.13 3 0 10.76 -999 ? CM MPD A 502 >ALA.A 158 2.76 11.76 12.40 1.87 11.88 13.63 2.32 11.82 13.01 2 0 9.04 -999 ? CM MPD A 502 >ALA^A 159 6.38 11.93 13.55 6.36 12.67 14.88 6.37 12.30 14.21 2 0 4.96 -999 ? CM MPD A 502 >MET^A 160 9.64 10.03 13.74 11.70 10.19 10.10 10.67 10.11 11.92 2 0 9.57 -999 ? CM MPD A 502 >GLU^A 161 11.47 9.52 18.06 11.18 8.46 19.87 11.33 8.99 18.97 2 0 -3.53 -999 ? O2 MPD A 502s >LEU^A 162 16.40 9.72 12.88 17.67 8.93 11.30 17.04 9.32 12.09 3 0 11.01 -999 ? CM MPD A 502 >TYR^A 163 17.68 7.12 18.29 15.44 7.68 19.87 16.56 7.40 19.08 3 0 7.77 -999 ? O2 MPD A 502 >ILE^A 164 22.85 9.79 14.22 22.82 9.30 12.86 22.84 9.54 13.54 3 0 14.63 -999 ? O2 MPD A 502 >LEU^A 165 26.45 5.79 16.30 27.79 4.60 17.52 27.12 5.20 16.91 3 0 14.29 -999 ? C1 MPD A 504 >LYS.A 166 28.09 10.00 17.54 27.92 14.13 21.73 28.00 12.07 19.64 2 0 17.19 -999 ? O4 MPD A 502 >ALA.A 167 31.52 8.32 17.56 31.94 7.22 18.53 31.73 7.77 18.04 2 0 17.79 -999 ? C1 MPD A 504 >ASP.A 168 31.35 5.22 14.15 31.61 4.42 12.20 31.48 4.82 13.17 2 0 12.96 -999 ? C1 MPD A 504 >PRO.A 169 29.55 10.49 12.68 28.75 8.42 12.75 29.15 9.45 12.71 3 0 17.06 -999 ? C1 MPD A 504 >ARG^A 170 27.54 2.82 12.08 26.47 0.70 14.02 27.00 1.76 13.05 2 0 8.93 -999 ? C1 MPD A 504 >PRO^A 171 21.68 5.77 9.60 22.55 5.40 11.62 22.11 5.58 10.61 3 0 13.32 -999 ? C1 MPD A 504 >LEU^A 172 21.65 3.43 16.26 23.68 3.24 16.93 22.66 3.34 16.60 3 0 13.01 -999 ? C1 MPD A 504 >ARG^A 173 15.63 2.88 18.63 13.97 2.33 21.12 14.80 2.60 19.87 2 0 10.08 -999 ? O2 MPD A 502 >PHE^A 174 15.31 4.46 11.02 17.59 4.77 9.43 16.45 4.61 10.23 3 0 13.93 -999 ? CM MPD A 502 >VAL^A 175 10.94 5.08 15.20 10.95 4.85 17.37 10.94 4.97 16.29 3 0 8.22 -999 ? O2 MPD A 502 >PHE^A 176 8.45 5.53 11.17 10.61 5.71 9.40 9.53 5.62 10.28 3 0 11.16 -999 ? CM MPD A 502 >LEU^A 177 5.19 8.35 16.77 6.68 8.05 18.30 5.94 8.20 17.53 3 0 5.46 -999 ? C1 MPD A 502 >ASP.A 178 -0.01 7.10 15.03 -0.64 6.69 17.01 -0.32 6.90 16.02 2 0 10.81 -999 ? C1 MPD A 502 >GLU.A 179 -2.47 11.65 14.18 -1.35 13.28 13.44 -1.91 12.46 13.81 2 0 11.88 -999 ? CM MPD A 502 >LYS.A 180 -1.22 9.79 19.70 -6.23 11.65 20.67 -3.72 10.72 20.19 2 0 14.21 -999 ? C1 MPD A 502 >GLY.A 181 2.48 8.96 19.95 1.93 8.38 19.72 2.20 8.67 19.84 1 0 6.29 -999 ? C1 MPD A 502 >LYS.A 182 1.84 5.26 19.39 -2.01 0.68 17.31 -0.09 2.97 18.35 2 0 15.41 -999 ? C1 MPD A 502 >VAL^A 183 4.71 3.36 17.80 6.63 2.63 18.54 5.67 2.99 18.17 3 0 9.56 -999 ? C1 MPD A 502 >LEU^A 184 3.53 3.16 13.17 1.66 4.23 12.98 2.59 3.69 13.07 3 0 12.50 -999 ? CM MPD A 502 >ALA^A 185 7.38 0.88 13.52 7.65 1.07 12.04 7.51 0.98 12.78 2 0 13.52 -999 ? CM MPD A 502 >ASP^A 186 10.31 0.26 17.01 11.95 0.68 18.28 11.13 0.47 17.65 2 0 11.49 -999 ? O2 MPD A 502 >LEU^A 187 13.47 -0.43 11.98 12.02 -1.45 10.75 12.74 -0.94 11.36 3 0 12.97 -999 ? CM MPD A 501 >LYS^A 188 17.03 -1.00 14.94 17.74 -1.98 20.71 17.39 -1.49 17.83 2 0 10.83 -999 ? C1 MPD A 501 >VAL^A 189 20.35 -1.47 13.17 21.35 -0.22 11.69 20.85 -0.85 12.43 3 0 8.66 -999 ? C1 MPD A 504 >VAL^A 190 21.56 -4.32 15.42 19.85 -5.66 15.52 20.70 -4.99 15.47 3 0 5.73 -999 ? C1 MPD A 501 >GLU^A 191 24.29 -7.75 14.15 24.40 -9.78 13.57 24.35 -8.76 13.86 2 0 -3.50 -999 ? O4 MPD A 504s >PHE^A 192 27.56 -0.83 10.71 28.81 0.94 8.93 28.18 0.06 9.82 3 0 7.39 -999 ? C1 MPD A 504 >LYS^A 193 30.22 -3.83 9.38 34.07 -7.48 8.16 32.15 -5.65 8.77 2 0 6.08 -999 ? C5 MPD A 504 >ARG^A 194 33.68 1.60 7.46 32.39 3.45 9.53 33.03 2.52 8.50 2 0 12.20 -999 ? C1 MPD A 504 >THR.A 195 33.35 -4.32 4.06 31.95 -5.86 3.46 32.65 -5.09 3.76 2 0 6.80 -999 ? CM MPD A 504 >ASN.A 196 35.34 -5.20 -0.12 35.71 -4.80 -2.18 35.52 -5.00 -1.15 2 0 -13.55 -999 ? CM MPD A 504s >LEU.A 197 29.81 -5.10 -1.57 28.75 -5.59 0.26 29.28 -5.34 -0.66 3 0 9.54 -999 ? CM MPD A 504 >THR~A 198 30.82 -6.06 -5.79 32.01 -7.84 -6.02 31.41 -6.95 -5.90 2 0 -14.90 -999 ? CM MPD A 504s >GLU~A 199 29.26 -5.49 -10.69 29.20 -4.54 -12.59 29.23 -5.01 -11.64 2 0 21.26 -999 ? CM MPD A 504 >ALA~A 200 28.25 -9.40 -9.06 29.51 -10.23 -9.31 28.88 -9.82 -9.18 2 0 17.77 -999 ? CM MPD A 504 >GLN~A 201 29.37 -10.39 -4.09 30.60 -9.72 -2.49 29.98 -10.06 -3.29 2 0 11.20 -999 ? CM MPD A 504 >LEU~A 202 24.87 -5.80 -4.75 25.62 -5.32 -2.78 25.25 -5.56 -3.77 3 0 12.49 -999 ? O2 MPD A 504 >LYS~A 203 22.98 -7.75 -8.53 25.64 -4.55 -12.69 24.31 -6.15 -10.61 2 0 21.40 -999 ? O2 MPD A 504 >ARG.A 204 23.86 -13.26 -5.01 23.23 -12.07 -2.24 23.54 -12.67 -3.62 2 0 9.99 -999 ? O4 MPD A 503 >TYR.A 205 18.86 -12.19 -11.26 19.69 -12.53 -13.91 19.28 -12.36 -12.59 3 0 14.75 -999 ? O4 MPD A 503 >PRO.A 206 16.40 -15.89 -7.40 17.72 -15.75 -9.19 17.06 -15.82 -8.30 3 0 9.17 -999 ? O4 MPD A 503 >LYS.A 207 18.03 -17.36 -13.05 23.13 -17.04 -14.50 20.58 -17.20 -13.78 2 0 16.17 -999 ? O4 MPD A 503 >ASP.A 208 14.28 -20.30 -12.65 14.06 -20.35 -10.56 14.17 -20.33 -11.60 2 0 11.13 -999 ? O4 MPD A 503 >ALA.A 209 12.76 -15.82 -11.81 13.42 -14.59 -11.17 13.09 -15.21 -11.49 2 0 -12.73 -999 ? O4 MPD A 503s >GLN^A 210 7.23 -15.22 -14.48 5.55 -16.50 -14.29 6.39 -15.86 -14.39 2 0 18.46 -999 ? C1 MPD A 503s >VAL^A 211 9.71 -11.11 -14.61 11.28 -9.97 -15.63 10.50 -10.54 -15.12 3 0 -18.71 -999 ? O4 MPD A 503s >VAL^A 212 6.94 -8.64 -13.80 5.43 -8.90 -12.25 6.18 -8.77 -13.02 3 0 19.53 -999 ? C1 MPD A 503 >ARG^A 213 9.85 -4.74 -19.03 12.35 -6.45 -18.58 11.10 -5.59 -18.80 2 0 23.16 -999 ? O4 MPD A 503 >ARG.A 214 4.81 -3.15 -12.27 2.80 -5.06 -10.96 3.81 -4.11 -11.61 2 0 21.73 -999 ? C1 MPD A 503