REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-JUL-05 2CZ4 COMPND HYPOTHETICAL PROTEIN TTHA0516; COMPND 3 CHAIN: A, B, C; 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 GENE: TTHA0516; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PHCEH AUTHOR R.ARAI,E.FUSATOMI,M.KUKIMOTO-NIINO,S.KAWAGUCHI,T.TERADA,M.SHIROUZU, AUTHOR 2 S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET MSE A 1 8 HET MSE B 1 8 HET MSE C 1 8 HET CL A 201 1 HET CL B 202 1 HET CL C 203 1 HET ACT C 301 4 HET ACT A 302 4 HET ACT A 303 4 HET ACT B 304 4 SITE 1 AC1 4 LYS A 7 ASN A 90 TRP A 92 HOH A 341 SITE 1 AC2 3 LYS B 7 ASN C 90 TRP C 92 SITE 1 AC3 3 ASN B 90 TRP B 92 LYS C 7 SITE 1 AC4 7 ILE A 85 GLY C 32 TYR C 33 ILE C 61 SITE 1 AC5 6 MSE A 1 LEU A 3 HOH A 333 HOH A 363 SITE 1 AC6 10 GLY A 32 TYR A 33 THR A 34 THR A 60 SITE 1 AC7 7 TYR B 33 THR B 34 GLU B 59 THR B 60 >MET?A 1 18.46 31.27 30.55 17.14 34.13 32.25 17.80 32.70 31.40 2 0 -5.43 -999 ? O ACT A 302s >ASP.A 2 16.13 27.42 32.13 14.80 25.81 31.83 15.47 26.62 31.98 2 0 6.75 -999 ? OXT ACT A 302 >LEU^A 3 12.56 32.14 30.75 12.93 33.79 32.08 12.74 32.97 31.42 3 0 -4.08 -999 ? CH3 ACT A 302s >VAL^A 4 9.13 29.09 30.16 9.53 27.02 30.79 9.33 28.06 30.48 3 0 6.48 -999 ? CH3 ACT A 302 >PRO^A 5 5.52 29.56 27.71 6.20 30.09 29.80 5.86 29.83 28.75 3 0 8.01 -999 ? CH3 ACT A 302 >LEU^A 6 3.87 28.63 33.86 4.95 26.76 33.85 4.41 27.70 33.85 3 0 8.58 -999 ? O ACT A 303 >LYS^A 7 0.17 30.56 34.55 -1.45 32.28 29.77 -0.64 31.42 32.16 2 0 -3.09 -999 ? CL CL A 201s >LEU^A 8 0.69 33.35 38.41 1.48 33.79 40.37 1.08 33.57 39.39 3 0 7.10 -999 ? OXT ACT A 303 >VAL^A 9 -3.33 31.29 39.71 -4.75 29.67 39.44 -4.04 30.48 39.57 3 0 8.80 -999 ? O ACT A 303 >THR^A 10 -4.20 33.48 42.66 -3.27 35.43 42.96 -3.73 34.46 42.81 2 0 10.03 -999 ? OXT ACT A 303 >ILE^A 11 -7.12 31.21 45.59 -7.68 29.91 45.43 -7.40 30.56 45.51 3 0 11.95 -999 ? O ACT A 303 >VAL^A 12 -7.93 35.00 48.10 -7.41 37.11 48.16 -7.67 36.05 48.13 3 0 7.88 -999 ? OXT ACT C 301 >ALA^A 13 -10.21 33.55 50.82 -10.49 32.11 50.39 -10.35 32.83 50.60 2 0 11.55 -999 ? O ACT C 301 >GLU^A 14 -12.43 31.41 55.22 -14.25 31.05 56.29 -13.34 31.23 55.76 2 0 15.87 -999 ? O ACT C 301 >SER.A 15 -7.72 31.71 56.41 -7.84 32.30 58.77 -7.78 32.01 57.59 2 0 17.30 -999 ? O ACT C 301 >LEU.A 16 -10.90 28.52 58.32 -11.15 28.21 60.44 -11.03 28.37 59.38 3 0 19.84 -999 ? O ACT C 301 >LEU~A 17 -10.45 28.47 52.81 -12.30 27.97 51.84 -11.37 28.22 52.33 3 0 15.80 -999 ? O ACT C 301 >GLU~A 18 -3.59 27.39 54.08 -2.09 28.32 55.24 -2.84 27.85 54.66 2 0 13.24 -999 ? OXT ACT A 303 >LYS~A 19 -5.86 23.51 54.21 -8.85 19.33 56.46 -7.36 21.42 55.34 2 0 20.51 -999 ? O ACT A 303 >ARG~A 20 -12.34 22.00 52.71 -13.61 20.80 50.18 -12.98 21.40 51.44 2 0 20.10 -999 ? O ACT A 303 >LEU~A 21 -7.31 26.48 49.16 -8.96 27.84 48.73 -8.13 27.16 48.94 3 0 13.53 -999 ? O ACT A 303 >VAL~A 22 -3.86 23.56 49.28 -2.07 23.78 50.49 -2.97 23.67 49.89 3 0 10.70 -999 ? O ACT A 303 >GLU~A 23 -5.54 19.06 51.41 -6.99 18.34 52.80 -6.26 18.70 52.10 2 0 17.46 -999 ? O ACT A 303 >GLU~A 24 -9.61 21.94 45.26 -10.88 20.30 45.74 -10.25 21.12 45.50 2 0 16.57 -999 ? O ACT A 303 >VAL~A 25 -4.64 22.60 43.99 -3.98 24.55 44.79 -4.31 23.57 44.39 3 0 9.11 -999 ? O ACT A 303 >LYS~A 26 -2.24 19.72 44.66 2.39 20.87 47.23 0.07 20.29 45.94 2 0 7.74 -999 ? CH3 ACT A 303 >ARG~A 27 -8.48 15.97 44.91 -10.41 17.08 42.79 -9.44 16.52 43.85 2 0 17.50 -999 ? O ACT A 303 >LEU~A 28 -6.34 20.30 40.34 -8.49 20.16 40.58 -7.41 20.23 40.46 3 0 13.38 -999 ? O ACT A 303 >GLY.A 29 -1.84 18.97 39.55 -1.94 19.48 40.08 -1.89 19.23 39.82 1 0 10.49 -999 ? O ACT A 303 >ALA.A 30 -0.10 22.02 41.09 -0.74 23.14 41.90 -0.42 22.58 41.50 2 0 6.19 -999 ? O ACT A 303 >LYS.A 31 3.36 21.23 42.37 3.31 17.75 38.68 3.34 19.49 40.52 2 0 10.36 -999 ? O ACT A 303 >GLY.A 32 3.86 24.04 44.83 3.13 24.19 44.39 3.50 24.11 44.61 1 0 -3.60 -999 ? CH3 ACT A 303s >TYR.A 33 1.04 26.01 48.23 1.29 24.82 50.73 1.17 25.42 49.48 3 0 -7.37 -999 ? CH3 ACT A 303s >THR^A 34 2.88 30.33 48.17 4.48 31.66 47.56 3.68 31.00 47.86 2 0 -4.67 -999 ? OXT ACT A 303s >ILE^A 35 0.34 31.04 52.18 -0.99 30.61 51.92 -0.32 30.82 52.05 3 0 9.75 -999 ? OXT ACT A 303 >THR^A 36 0.70 35.56 51.71 1.36 36.35 49.79 1.03 35.95 50.75 2 0 9.99 -999 ? OXT ACT A 303 >PRO^A 37 0.50 38.76 54.69 -0.92 37.35 53.69 -0.21 38.06 54.19 3 0 14.40 -999 ? OXT ACT C 301 >ALA^A 38 -4.54 39.46 52.77 -5.17 38.67 51.64 -4.86 39.07 52.20 2 0 9.36 -999 ? OXT ACT C 301 >ARG.A 39 -5.46 44.01 56.97 -5.03 47.01 56.50 -5.25 45.51 56.73 2 0 13.42 -999 ? OXT ACT C 301 >GLY.A 40 -9.41 44.65 53.52 -9.78 44.04 53.98 -9.60 44.34 53.75 1 0 8.88 -999 ? O ACT C 301 >GLU.A 41 -13.23 45.29 51.30 -13.91 44.10 49.69 -13.57 44.69 50.50 2 0 4.97 -999 ? O ACT C 301 >GLY.A 42 -13.24 44.86 57.56 -12.65 44.58 57.16 -12.95 44.72 57.36 1 0 12.48 -999 ? O ACT C 301 >SER.A 43 -10.91 41.82 57.59 -11.21 40.61 55.53 -11.06 41.22 56.56 2 0 10.34 -999 ? O ACT C 301 >ARG.A 44 -9.80 41.84 63.03 -12.20 41.46 64.90 -11.00 41.65 63.97 2 0 19.54 -999 ? O ACT C 301 >GLY.A 45 -4.76 42.35 60.16 -5.04 41.69 60.54 -4.90 42.02 60.35 1 0 16.26 -999 ? OXT ACT C 301 >ILE.A 46 -0.46 40.37 59.47 0.94 40.42 59.27 0.24 40.39 59.37 3 0 18.00 -999 ? OXT ACT C 301 >ARG.A 47 1.93 40.93 64.24 4.88 41.80 64.42 3.40 41.37 64.33 2 0 21.65 -999 ? CH3 ACT B 304 >SER.A 48 -4.83 40.14 65.16 -7.27 40.24 64.93 -6.05 40.19 65.04 2 0 20.26 -999 ? O ACT C 301 >VAL.A 49 -5.69 37.55 67.82 -6.78 37.50 69.73 -6.24 37.53 68.77 3 0 24.61 -999 ? O ACT C 301 >ASP.A 50 -9.90 37.94 65.42 -11.50 37.20 64.25 -10.70 37.57 64.83 2 0 19.58 -999 ? O ACT C 301 >TRP.A 51 -5.11 34.35 64.95 -3.63 31.02 66.43 -4.37 32.68 65.69 3 0 23.81 -999 ? O ACT C 301 >GLU.A 52 -13.35 32.78 61.59 -14.92 31.80 62.64 -14.13 32.29 62.12 2 0 20.44 -999 ? O ACT C 301 >GLY.A 53 -11.39 37.01 60.51 -10.69 36.62 60.44 -11.04 36.82 60.47 1 0 16.08 -999 ? O ACT C 301 >GLN.A 54 -6.26 37.47 60.50 -4.43 36.85 61.43 -5.35 37.16 60.96 2 0 18.54 -999 ? OXT ACT C 301 >ASN^A 55 -8.33 37.03 53.83 -10.36 37.52 54.24 -9.34 37.27 54.04 2 0 10.27 -999 ? O ACT C 301 >ILE^A 56 -4.60 32.98 53.36 -4.78 31.85 53.53 -4.69 32.41 53.44 3 0 13.74 -999 ? OXT ACT A 303 >ARG^A 57 -1.96 37.09 46.95 -2.53 39.44 48.84 -2.24 38.27 47.89 2 0 9.16 -999 ? OXT ACT C 301 >LEU^A 58 -3.48 30.10 47.87 -3.13 28.08 47.07 -3.31 29.09 47.47 3 0 8.57 -999 ? OXT ACT A 303 >GLU^A 59 -0.06 34.24 44.69 1.54 35.69 44.88 0.74 34.96 44.78 2 0 7.35 -999 ? OXT ACT A 303 >THR^A 60 0.42 28.72 42.47 -0.75 26.89 42.18 -0.16 27.80 42.33 2 0 -4.49 -999 ? O ACT A 303s >ILE^A 61 3.93 28.54 39.16 5.10 29.30 38.77 4.51 28.92 38.96 3 0 -3.84 -999 ? O ACT A 303s >VAL^A 62 0.77 25.79 36.87 -1.08 25.83 38.08 -0.15 25.81 37.48 3 0 6.46 -999 ? O ACT A 303 >SER~A 63 0.23 24.84 33.21 -0.95 22.75 32.99 -0.36 23.79 33.10 2 0 11.49 -999 ? O ACT A 303 >GLU~A 64 -1.46 27.34 29.13 -1.37 27.31 27.02 -1.42 27.32 28.08 2 0 8.31 -999 ? CL CL A 201 >GLU~A 65 -4.30 22.08 29.22 -2.64 23.27 28.50 -3.47 22.68 28.86 2 0 11.46 -999 ? CL CL A 201 >VAL~A 66 -4.21 22.81 35.19 -2.75 21.78 36.46 -3.48 22.30 35.83 3 0 11.00 -999 ? O ACT A 303 >ALA~A 67 -4.97 26.51 35.79 -4.39 27.75 35.03 -4.68 27.13 35.41 2 0 8.12 -999 ? CL CL A 201 >LEU~A 68 -8.88 26.20 32.80 -8.85 28.16 31.81 -8.87 27.18 32.31 3 0 9.29 -999 ? CL CL A 201 >ARG~A 69 -7.70 19.34 36.48 -5.54 18.45 34.49 -6.62 18.90 35.48 2 0 15.12 -999 ? O ACT A 303 >ILE~A 70 -6.95 25.38 39.79 -5.82 25.49 40.64 -6.39 25.43 40.22 3 0 10.51 -999 ? O ACT A 303 >LEU~A 71 -10.18 28.75 37.30 -8.70 30.33 37.41 -9.44 29.54 37.36 3 0 10.31 -999 ? CL CL A 201 >GLN~A 72 -14.65 23.69 36.26 -15.64 24.05 34.40 -15.15 23.87 35.33 2 0 16.53 -999 ? CL CL A 201 >ARG~A 73 -13.24 21.34 42.66 -14.70 19.65 44.77 -13.97 20.49 43.71 2 0 20.11 -999 ? O ACT A 303 >LEU~A 74 -12.18 28.00 42.57 -10.31 28.19 43.63 -11.25 28.10 43.10 3 0 14.49 -999 ? O ACT C 301 >GLN~A 75 -17.53 29.05 38.78 -17.74 29.13 36.67 -17.64 29.09 37.72 2 0 16.46 -999 ? CL CL A 201 >GLU~A 76 -18.07 23.62 39.12 -17.25 21.90 38.18 -17.66 22.76 38.65 2 0 20.19 -999 ? CL CL A 201 >GLU~A 77 -16.08 22.27 46.45 -17.89 21.29 46.96 -16.98 21.78 46.70 2 0 21.92 -999 ? O ACT C 301 >TYR~A 78 -13.80 26.13 47.19 -12.59 23.74 48.01 -13.19 24.94 47.60 3 0 17.62 -999 ? O ACT C 301 >PHE.A 79 -16.37 31.43 43.34 -14.13 32.93 42.56 -15.25 32.18 42.95 3 0 10.94 -999 ? O ACT C 301 >PRO.A 80 -20.79 27.44 44.43 -20.42 29.12 45.86 -20.61 28.28 45.15 3 0 16.45 -999 ? O ACT C 301 >HIS.A 81 -20.82 26.38 49.60 -21.72 24.86 48.45 -21.27 25.62 49.03 3 0 19.43 -999 ? O ACT C 301 >TYR.A 82 -16.19 29.33 51.63 -16.36 27.05 53.19 -16.27 28.19 52.41 3 0 16.37 -999 ? O ACT C 301 >ALA.A 83 -16.33 34.80 49.72 -16.28 35.99 50.68 -16.30 35.39 50.20 2 0 9.28 -999 ? O ACT C 301 >VAL.A 84 -13.53 33.95 47.26 -13.03 31.84 46.94 -13.28 32.89 47.10 3 0 9.71 -999 ? O ACT C 301 >ILE^A 85 -10.69 37.13 45.06 -10.51 38.58 45.07 -10.60 37.86 45.06 3 0 -4.79 -999 ? O ACT C 301s >ALA^A 86 -9.71 33.83 41.98 -10.24 32.40 41.92 -9.98 33.11 41.95 2 0 10.73 -999 ? O ACT C 301 >TYR^A 87 -6.80 37.10 39.85 -4.98 38.28 41.61 -5.89 37.69 40.73 3 0 7.71 -999 ? OXT ACT C 301 >VAL^A 88 -5.08 33.90 36.56 -5.24 32.52 34.85 -5.16 33.21 35.71 3 0 5.53 -999 ? CL CL A 201 >GLU^A 89 -1.24 36.58 37.23 -1.06 38.29 38.51 -1.15 37.44 37.87 2 0 9.05 -999 ? CL CL A 201 >ASN^A 90 0.36 35.53 30.95 1.55 34.49 29.53 0.96 35.01 30.24 2 0 -5.08 -999 ? CL CL A 201s >VAL^A 91 4.04 34.52 33.71 3.46 33.89 35.75 3.75 34.20 34.73 3 0 7.63 -999 ? CL CL B 202 >TRP^A 92 6.33 34.81 29.77 8.04 32.64 26.94 7.19 33.72 28.36 3 0 -5.85 -999 ? CL CL B 202s >VAL^A 93 9.19 31.25 35.04 7.75 30.22 36.35 8.47 30.74 35.70 3 0 8.87 -999 ? O ACT A 303 >VAL^A 94 12.80 30.30 35.79 14.52 31.40 36.61 13.66 30.85 36.20 3 0 8.79 -999 ? CH3 ACT A 302 >ARG.A 95 16.24 25.45 35.76 18.96 25.41 34.33 17.60 25.43 35.04 2 0 9.56 -999 ? OXT ACT A 302 >GLY~A 96 9.47 26.35 35.17 9.95 25.84 34.88 9.71 26.10 35.02 1 0 9.31 -999 ? O ACT A 303 >GLU~A 97 11.06 22.89 31.44 12.49 24.45 31.70 11.78 23.67 31.57 2 0 8.23 -999 ? OXT ACT A 302 >LYS~A 98 9.24 21.45 37.02 12.73 25.01 40.79 10.99 23.23 38.91 2 0 7.98 -999 ? CH3 ACT A 303 >TYR~A 99 6.28 25.07 38.68 7.82 26.15 40.75 7.05 25.61 39.71 3 0 -4.58 -999 ? CH3 ACT A 303s >VAL~A 100 4.17 21.24 34.47 4.46 21.61 32.34 4.32 21.42 33.40 3 0 10.83 -999 ? O ACT A 303 >MET?B 1 -1.41 59.71 31.81 -3.08 57.09 33.66 -2.25 58.40 32.73 2 0 12.00 -999 ? CL CL C 203 >ASP.B 2 3.21 59.71 32.87 5.22 59.30 32.47 4.21 59.51 32.67 2 0 15.66 -999 ? OXT ACT B 304 >LEU^B 3 0.74 54.40 31.61 -0.64 53.60 33.02 0.05 54.00 32.31 3 0 9.10 -999 ? CL CL C 203 >VAL^B 4 5.03 52.92 30.53 6.67 54.19 31.18 5.85 53.55 30.85 3 0 11.75 -999 ? CL CL C 203 >PRO^B 5 6.09 49.73 27.73 5.50 49.87 29.92 5.80 49.80 28.83 3 0 9.68 -999 ? CL CL C 203 >LEU^B 6 8.39 48.28 33.53 9.45 50.17 33.63 8.92 49.22 33.58 3 0 8.87 -999 ? OXT ACT B 304 >LYS^B 7 8.57 44.02 33.90 7.44 42.15 29.05 8.01 43.08 31.47 2 0 -3.05 -999 ? CL CL B 202s >LEU^B 8 6.28 42.91 37.89 5.54 43.26 39.89 5.91 43.09 38.89 3 0 6.38 -999 ? O ACT B 304 >VAL^B 9 10.15 40.29 38.68 12.23 39.93 38.14 11.19 40.11 38.41 3 0 8.91 -999 ? OXT ACT B 304 >THR^B 10 8.97 38.22 41.63 6.87 37.99 42.14 7.92 38.11 41.89 2 0 9.22 -999 ? O ACT B 304 >ILE^B 11 12.66 36.71 44.08 14.00 36.91 43.78 13.33 36.81 43.93 3 0 11.59 -999 ? O ACT B 304 >VAL^B 12 10.18 33.83 46.66 8.09 33.15 46.95 9.13 33.49 46.81 3 0 7.21 -999 ? OXT ACT A 303 >ALA^B 13 12.76 32.40 49.06 14.10 32.82 48.50 13.43 32.61 48.78 2 0 11.27 -999 ? CH3 ACT A 303 >GLU^B 14 14.26 29.69 53.47 14.81 28.86 55.34 14.53 29.28 54.41 2 0 14.83 -999 ? CH3 ACT A 303 >SER.B 15 13.49 35.39 54.57 12.84 34.83 56.84 13.16 35.11 55.71 2 0 16.65 -999 ? OXT ACT A 303 >LEU.B 16 17.61 33.54 56.33 17.33 33.15 58.45 17.47 33.34 57.39 3 0 19.07 -999 ? CH3 ACT A 303 >LEU~B 17 17.86 34.43 50.92 19.03 32.72 50.29 18.44 33.57 50.61 3 0 15.90 -999 ? CH3 ACT A 303 >GLU~B 18 15.35 40.93 52.66 14.20 41.89 54.18 14.77 41.41 53.42 2 0 12.98 -999 ? CH3 ACT B 304 >LYS~B 19 19.96 40.93 52.37 24.88 43.37 55.52 22.42 42.15 53.94 2 0 19.93 -999 ? CH3 ACT B 304 >ARG~B 20 23.59 35.51 49.80 23.38 33.40 52.03 23.48 34.45 50.91 2 0 20.55 -999 ? CH3 ACT A 303 >LEU~B 21 17.44 38.43 47.38 17.01 36.39 46.85 17.23 37.41 47.12 3 0 13.85 -999 ? OXT ACT B 304 >VAL~B 22 18.14 42.82 47.77 17.21 44.18 49.23 17.67 43.50 48.50 3 0 10.79 -999 ? CH3 ACT B 304 >GLU~B 23 23.16 43.48 49.34 24.66 42.52 50.51 23.91 43.00 49.92 2 0 17.74 -999 ? CH3 ACT B 304 >GLU~B 24 22.32 38.82 44.21 23.94 38.72 42.86 23.13 38.77 43.54 2 0 17.02 -999 ? OXT ACT B 304 >VAL~B 25 18.86 43.15 42.35 16.92 42.70 43.28 17.89 42.93 42.82 3 0 9.66 -999 ? OXT ACT B 304 >LYS~B 26 20.18 46.61 43.20 19.00 49.55 48.67 19.59 48.08 45.94 2 0 10.63 -999 ? CH3 ACT B 304 >ARG~B 27 26.02 42.58 42.38 25.84 41.49 45.27 25.93 42.03 43.83 2 0 17.68 -999 ? OXT ACT B 304 >LEU~B 28 21.29 43.11 38.45 22.44 41.28 38.40 21.87 42.19 38.43 3 0 14.06 -999 ? OXT ACT B 304 >GLY.B 29 20.02 47.68 38.01 19.73 47.34 38.63 19.88 47.51 38.32 1 0 11.23 -999 ? OXT ACT B 304 >ALA.B 30 16.84 47.56 40.06 16.35 46.38 40.90 16.59 46.97 40.48 2 0 7.02 -999 ? OXT ACT B 304 >LYS.B 31 15.94 50.91 41.57 17.07 55.01 36.93 16.51 52.96 39.25 2 0 11.57 -999 ? OXT ACT B 304 >GLY.B 32 13.51 49.65 44.20 13.73 48.98 43.72 13.62 49.31 43.96 1 0 4.31 -999 ? CH3 ACT B 304 >TYR.B 33 13.49 45.92 47.42 14.68 46.48 49.90 14.08 46.20 48.66 3 0 -6.95 -999 ? CH3 ACT B 304s >THR^B 34 8.80 45.53 47.76 6.89 46.40 47.31 7.85 45.97 47.53 2 0 -4.05 -999 ? O ACT B 304s >ILE^B 35 9.86 42.53 51.25 11.04 41.80 51.72 10.45 42.16 51.48 3 0 9.73 -999 ? O ACT B 304 >THR^B 36 5.70 40.75 51.53 3.79 40.81 50.49 4.74 40.78 51.01 2 0 10.28 -999 ? O ACT B 304 >PRO^B 37 4.58 39.27 55.55 5.81 38.60 53.82 5.19 38.94 54.69 3 0 14.13 -999 ? O ACT B 304 >ALA^B 38 5.14 34.55 52.80 5.58 34.51 51.35 5.36 34.53 52.08 2 0 9.48 -999 ? OXT ACT A 303 >ARG.B 39 2.53 31.11 56.62 -0.26 29.95 56.31 1.14 30.53 56.47 2 0 13.46 -999 ? OXT ACT A 303 >GLY.B 40 4.87 27.57 51.92 4.89 27.45 52.77 4.88 27.51 52.34 1 0 8.14 -999 ? CH3 ACT A 303 >GLU.B 41 4.59 21.37 51.97 2.75 21.07 50.95 3.67 21.22 51.46 2 0 9.71 -999 ? CH3 ACT A 303 >GLY.B 42 5.11 23.74 56.37 5.08 24.43 55.92 5.09 24.08 56.15 1 0 12.96 -999 ? CH3 ACT A 303 >ASP.B 50 2.98 31.06 60.86 4.11 29.82 59.55 3.55 30.44 60.20 2 0 15.85 -999 ? OXT ACT A 303 >TRP.B 51 1.36 36.15 59.32 1.00 34.54 55.75 1.18 35.34 57.53 3 0 15.53 -999 ? OXT ACT A 303 >GLU.B 52 7.66 37.44 62.50 7.81 38.11 64.51 7.73 37.77 63.50 2 0 22.83 -999 ? CH3 ACT B 304 >GLY.B 53 11.00 33.13 60.11 10.40 33.25 59.61 10.70 33.19 59.86 1 0 18.15 -999 ? OXT ACT A 303 >GLN.B 54 7.17 31.25 57.97 7.78 29.24 58.30 7.48 30.24 58.13 2 0 14.78 -999 ? CH3 ACT A 303 >ASN^B 55 9.14 32.38 52.24 9.69 30.32 52.26 9.41 31.35 52.25 2 0 9.91 -999 ? CH3 ACT A 303 >ILE^B 56 10.63 37.58 51.86 11.86 38.03 52.13 11.24 37.80 52.00 3 0 13.02 -999 ? O ACT B 304 >ARG^B 57 4.68 37.56 46.31 2.06 39.11 46.79 3.37 38.33 46.55 2 0 10.43 -999 ? O ACT B 304 >LEU^B 58 11.92 39.88 46.89 12.77 41.75 46.21 12.35 40.82 46.55 3 0 8.24 -999 ? O ACT B 304 >GLU^B 59 6.72 41.22 43.91 4.75 41.83 44.25 5.73 41.53 44.08 2 0 -6.17 -999 ? O ACT B 304s >THR^B 60 10.88 44.65 41.79 13.01 44.54 41.32 11.94 44.59 41.56 2 0 -4.90 -999 ? OXT ACT B 304s >ILE^B 61 8.92 47.92 38.85 7.69 48.53 38.67 8.31 48.23 38.76 3 0 -3.83 -999 ? OXT ACT B 304s >VAL^B 62 12.64 46.80 36.11 13.67 45.07 37.00 13.15 45.94 36.55 3 0 7.05 -999 ? OXT ACT B 304 >SER~B 63 13.26 47.11 32.36 15.61 47.27 31.93 14.43 47.19 32.15 2 0 12.00 -999 ? OXT ACT B 304 >GLU~B 64 11.55 44.58 28.21 11.34 45.03 26.14 11.45 44.81 27.17 2 0 8.32 -999 ? CL CL B 202 >GLU~B 65 17.56 45.22 27.93 16.40 47.01 27.72 16.98 46.11 27.83 2 0 12.71 -999 ? CL CL B 202 >VAL~B 66 17.47 44.11 33.76 17.67 45.76 35.17 17.57 44.94 34.46 3 0 11.56 -999 ? OXT ACT B 304 >ALA~B 67 14.73 41.53 34.32 13.32 41.50 33.68 14.03 41.51 34.00 2 0 8.15 -999 ? CL CL B 202 >LEU~B 68 16.73 38.73 30.86 14.98 37.71 29.98 15.86 38.22 30.42 3 0 6.22 -999 ? O ACT A 302 >ARG~B 69 22.62 42.29 33.58 21.65 45.19 33.32 22.13 43.74 33.45 2 0 14.94 -999 ? O ACT A 302 >ILE~B 70 17.09 40.01 38.02 16.51 40.85 39.01 16.80 40.43 38.51 3 0 11.06 -999 ? OXT ACT B 304 >LEU~B 71 15.52 35.79 35.35 13.45 36.35 35.71 14.49 36.07 35.53 3 0 9.02 -999 ? CH3 ACT A 302 >GLN~B 72 21.85 34.47 33.37 22.73 35.25 31.58 22.29 34.86 32.47 2 0 8.59 -999 ? O ACT A 302 >ARG~B 73 24.09 36.62 39.81 25.66 39.04 38.73 24.88 37.83 39.27 2 0 16.43 -999 ? O ACT A 302 >LEU~B 74 17.71 34.11 40.40 16.81 35.58 41.71 17.26 34.85 41.05 3 0 14.12 -999 ? O ACT A 302 >GLN~B 75 19.05 29.20 35.92 18.84 29.16 33.81 18.95 29.18 34.87 2 0 7.58 -999 ? OXT ACT A 302 >GLU~B 76 25.35 31.50 37.53 26.42 33.21 36.85 25.89 32.35 37.19 2 0 14.44 -999 ? O ACT A 302 >GLU~B 77 25.37 33.50 41.00 25.99 35.47 41.49 25.68 34.48 41.25 2 0 17.82 -999 ? O ACT A 302 >TYR~B 78 20.54 33.17 44.58 21.91 35.42 45.49 21.22 34.29 45.03 3 0 17.24 -999 ? CH3 ACT A 303 >PHE.B 79 16.82 28.73 40.58 14.28 29.90 40.31 15.55 29.31 40.45 3 0 10.72 -999 ? CH3 ACT A 303 >PRO.B 80 22.38 26.33 40.79 20.91 25.96 42.44 21.64 26.14 41.61 3 0 16.18 -999 ? CH3 ACT A 303 >HIS.B 81 24.07 26.52 45.84 25.63 26.47 44.45 24.85 26.50 45.15 3 0 19.26 -999 ? CH3 ACT A 303 >TYR.B 82 19.70 29.01 48.72 22.05 29.62 50.09 20.88 29.31 49.40 3 0 16.39 -999 ? CH3 ACT A 303 >ALA.B 83 14.60 26.67 47.30 13.69 26.13 48.40 14.15 26.40 47.85 2 0 9.30 -999 ? CH3 ACT A 303 >VAL.B 84 13.81 29.71 45.14 15.45 31.14 44.79 14.63 30.42 44.96 3 0 9.68 -999 ? CH3 ACT A 303 >ILE^B 85 9.47 30.63 43.46 8.18 30.09 43.64 8.82 30.36 43.55 3 0 -4.63 -999 ? OXT ACT A 303s >ALA^B 86 11.40 33.33 40.30 12.89 33.56 40.06 12.15 33.45 40.18 2 0 10.30 -999 ? OXT ACT A 303 >TYR^B 87 6.95 34.35 38.83 5.26 35.08 40.94 6.11 34.72 39.89 3 0 7.07 -999 ? OXT ACT A 303 >VAL^B 88 8.39 37.72 35.57 9.56 38.35 33.80 8.97 38.04 34.68 3 0 5.64 -999 ? CL CL B 202 >GLU^B 89 3.69 38.42 36.29 2.58 38.79 38.06 3.14 38.60 37.18 2 0 9.16 -999 ? CL CL B 202 >ASN^B 90 3.80 42.08 30.71 3.97 43.74 29.40 3.88 42.91 30.06 2 0 -5.08 -999 ? CL CL B 202s >VAL^B 91 3.16 45.57 33.75 4.13 45.22 35.70 3.65 45.39 34.72 3 0 7.56 -999 ? CL CL C 203 >TRP^B 92 1.41 47.64 30.22 2.11 50.36 27.44 1.76 49.00 28.83 3 0 -5.93 -999 ? CL CL C 203s >VAL^B 93 3.65 51.57 35.50 5.31 50.73 36.65 4.48 51.15 36.08 3 0 8.72 -999 ? OXT ACT B 304 >VAL^B 94 2.72 55.15 36.45 1.02 56.11 37.44 1.87 55.63 36.95 3 0 12.18 -999 ? OXT ACT B 304 >ARG.B 95 5.02 60.48 36.40 3.75 63.08 35.35 4.39 61.78 35.88 2 0 17.66 -999 ? OXT ACT B 304 >GLY~B 96 7.72 54.21 35.43 7.91 54.91 35.13 7.81 54.56 35.28 1 0 9.51 -999 ? OXT ACT B 304 >GLU~B 97 9.46 57.70 31.80 7.43 57.99 32.35 8.45 57.84 32.08 2 0 14.31 -999 ? OXT ACT B 304 >LYS~B 98 12.25 56.30 36.89 8.12 57.51 41.12 10.18 56.90 39.00 2 0 9.29 -999 ? CH3 ACT B 304 >TYR~B 99 10.71 51.79 38.53 9.13 52.40 40.75 9.92 52.10 39.64 3 0 4.94 -999 ? OXT ACT B 304 >VAL~B 100 14.55 52.27 33.86 13.94 52.55 31.80 14.25 52.41 32.83 3 0 11.45 -999 ? OXT ACT B 304 >MET?C 1 -16.03 28.22 33.13 -12.83 28.03 34.59 -14.43 28.13 33.86 2 0 -12.10 -999 ? CL CL A 201s >ASP.C 2 -18.15 32.16 34.90 -18.94 34.09 34.60 -18.55 33.12 34.75 2 0 15.16 -999 ? CH3 ACT C 301 >LEU^C 3 -12.60 32.82 32.76 -10.89 32.07 33.80 -11.74 32.45 33.28 3 0 -8.99 -999 ? CL CL A 201s >VAL^C 4 -13.53 37.30 32.02 -15.43 38.01 32.82 -14.48 37.66 32.42 3 0 11.65 -999 ? CL CL A 201 >PRO^C 5 -11.58 39.93 29.12 -11.24 39.30 31.24 -11.41 39.61 30.18 3 0 9.51 -999 ? CL CL A 201 >LEU^C 6 -10.94 42.33 35.04 -13.08 42.40 35.28 -12.01 42.37 35.16 3 0 8.52 -999 ? CH3 ACT C 301 >LYS^C 7 -7.36 44.70 35.08 -5.66 44.82 30.05 -6.51 44.76 32.56 2 0 -3.09 -999 ? CL CL C 203s >LEU^C 8 -4.83 43.06 38.74 -4.44 42.19 40.69 -4.63 42.62 39.72 3 0 7.40 -999 ? OXT ACT C 301 >VAL^C 9 -4.42 47.71 39.74 -5.17 49.68 39.28 -4.79 48.69 39.51 3 0 9.27 -999 ? CH3 ACT C 301 >THR^C 10 -1.75 47.62 42.43 -0.43 45.91 42.71 -1.09 46.77 42.57 2 0 8.48 -999 ? O ACT B 304 >ILE^C 11 -1.94 51.56 45.01 -2.75 52.70 44.80 -2.34 52.13 44.90 3 0 11.56 -999 ? O ACT B 304 >VAL^C 12 1.99 50.51 47.19 3.66 49.08 47.14 2.83 49.79 47.17 3 0 6.88 -999 ? O ACT B 304 >ALA^C 13 2.10 53.41 49.69 0.93 54.36 49.32 1.51 53.88 49.51 2 0 11.08 -999 ? CH3 ACT B 304 >GLU^C 14 3.23 56.16 55.11 3.39 58.23 55.56 3.31 57.19 55.34 2 0 15.65 -999 ? CH3 ACT B 304 >SER.C 15 -0.02 52.59 55.50 0.94 52.38 57.70 0.46 52.48 56.60 2 0 16.03 -999 ? CH3 ACT B 304 >LEU.C 16 -0.87 57.01 57.44 -0.65 57.26 59.58 -0.76 57.14 58.51 3 0 19.12 -999 ? CH3 ACT B 304 >LEU~C 17 -1.80 56.52 51.96 -1.21 58.31 50.94 -1.51 57.42 51.45 3 0 15.40 -999 ? CH3 ACT B 304 >GLU~C 18 -5.97 51.16 54.03 -5.89 49.54 55.41 -5.93 50.35 54.72 2 0 13.25 -999 ? OXT ACT C 301 >LYS~C 19 -8.10 55.24 54.21 -11.72 57.88 57.10 -9.91 56.56 55.66 2 0 19.44 -999 ? O ACT C 301 >ARG~C 20 -5.77 61.08 52.24 -4.57 63.14 50.31 -5.17 62.11 51.27 2 0 20.69 -999 ? CH3 ACT B 304 >LEU~C 21 -5.55 54.45 48.75 -3.64 55.19 48.06 -4.59 54.82 48.41 3 0 13.70 -999 ? OXT ACT C 301 >VAL~C 22 -9.68 52.97 49.56 -10.23 51.47 51.07 -9.95 52.22 50.31 3 0 10.84 -999 ? CH3 ACT C 301 >GLU~C 23 -12.38 56.72 51.72 -12.36 58.38 53.06 -12.37 57.55 52.39 2 0 17.30 -999 ? CH3 ACT C 301 >GLU~C 24 -8.82 58.42 44.81 -9.22 60.41 45.38 -9.02 59.41 45.09 2 0 16.74 -999 ? CH3 ACT C 301 >VAL~C 25 -10.82 53.67 44.28 -9.42 52.18 45.09 -10.12 52.92 44.68 3 0 9.18 -999 ? CH3 ACT C 301 >LYS~C 26 -14.41 53.18 45.44 -15.58 50.04 50.81 -15.00 51.61 48.13 2 0 10.00 -999 ? O ACT C 301 >ARG~C 27 -14.39 60.44 44.96 -12.57 61.21 42.61 -13.48 60.83 43.79 2 0 17.31 -999 ? CH3 ACT C 301 >LEU~C 28 -12.28 56.16 40.57 -11.20 58.02 40.52 -11.74 57.09 40.55 3 0 13.47 -999 ? CH3 ACT C 301 >GLY.C 29 -15.67 52.79 40.33 -15.18 52.68 40.86 -15.43 52.74 40.60 1 0 10.22 -999 ? CH3 ACT C 301 >ALA.C 30 -13.85 49.91 42.04 -12.50 49.96 42.74 -13.18 49.94 42.39 2 0 6.12 -999 ? CH3 ACT C 301 >LYS.C 31 -16.24 47.41 43.58 -19.18 48.92 39.46 -17.71 48.16 41.52 2 0 9.88 -999 ? CH3 ACT C 301 >GLY.C 32 -13.78 45.84 46.01 -13.36 46.37 45.51 -13.57 46.11 45.76 1 0 -3.77 -999 ? CH3 ACT C 301s >TYR.C 33 -10.17 47.49 48.78 -10.97 48.02 51.40 -10.57 47.75 50.09 3 0 -7.29 -999 ? C ACT C 301s >THR^C 34 -7.63 43.78 49.13 -7.19 42.15 47.76 -7.41 42.97 48.44 2 0 4.17 -999 ? OXT ACT C 301 >ILE^C 35 -5.19 46.09 52.34 -5.23 47.35 52.89 -5.21 46.72 52.62 3 0 10.00 -999 ? OXT ACT C 301 >THR^C 36 -1.57 43.28 52.09 -0.86 42.09 50.37 -1.21 42.69 51.23 2 0 10.76 -999 ? OXT ACT C 301 >PRO^C 37 1.11 42.27 55.29 0.78 44.05 53.97 0.95 43.16 54.63 3 0 13.75 -999 ? O ACT B 304 >ALA^C 38 4.45 45.58 52.38 4.04 46.24 51.10 4.25 45.91 51.74 2 0 8.62 -999 ? O ACT B 304 >ARG.C 39 9.00 43.74 55.65 11.90 42.76 55.27 10.45 43.25 55.46 2 0 12.72 -999 ? CH3 ACT B 304 >GLY.C 40 10.77 48.31 51.36 10.92 48.35 52.19 10.85 48.33 51.78 1 0 7.10 -999 ? CH3 ACT B 304 >GLU.C 41 16.43 50.94 51.34 17.50 52.11 49.94 16.96 51.52 50.64 2 0 10.40 -999 ? CH3 ACT B 304 >GLY.C 42 14.74 50.71 55.40 14.32 50.00 55.21 14.53 50.35 55.31 1 0 12.37 -999 ? CH3 ACT B 304 >SER.C 43 12.90 47.82 57.02 10.85 48.75 56.12 11.88 48.28 56.57 2 0 11.78 -999 ? CH3 ACT B 304 >GLU.C 52 2.90 48.54 61.44 4.21 46.86 61.22 3.56 47.70 61.33 2 0 17.63 -999 ? CH3 ACT B 304 >GLY.C 53 5.95 53.06 59.85 5.63 52.23 59.43 5.78 52.64 59.64 1 0 16.29 -999 ? CH3 ACT B 304 >GLN.C 54 6.03 48.16 57.95 8.03 48.91 58.25 7.03 48.53 58.10 2 0 13.85 -999 ? CH3 ACT B 304 >ASN^C 55 4.32 50.30 52.50 5.90 51.72 52.50 5.11 51.01 52.50 2 0 9.16 -999 ? CH3 ACT B 304 >ILE^C 56 -0.91 49.10 52.86 -1.82 49.93 53.29 -1.36 49.51 53.08 3 0 13.61 -999 ? O ACT B 304 >ARG^C 57 0.41 44.01 46.89 3.20 43.89 45.69 1.80 43.95 46.29 2 0 6.12 -999 ? O ACT B 304 >LEU^C 58 -4.38 49.26 47.84 -6.33 49.96 47.18 -5.36 49.61 47.51 3 0 8.71 -999 ? OXT ACT C 301 >GLU^C 59 -3.08 44.06 44.69 -2.35 42.14 45.23 -2.71 43.10 44.96 2 0 7.72 -999 ? OXT ACT C 301 >THR^C 60 -8.30 46.13 43.05 -9.25 48.08 42.71 -8.78 47.10 42.88 2 0 4.85 -999 ? CH3 ACT C 301 >ILE^C 61 -10.37 42.81 40.26 -10.35 41.44 40.08 -10.36 42.13 40.17 3 0 -4.04 -999 ? CH3 ACT C 301s >VAL^C 62 -11.54 46.76 37.77 -10.43 48.42 38.67 -10.98 47.59 38.22 3 0 6.47 -999 ? CH3 ACT C 301 >SER~C 63 -12.58 47.33 34.13 -13.90 49.38 33.94 -13.24 48.36 34.03 2 0 11.24 -999 ? CH3 ACT C 301 >GLU~C 64 -10.73 48.33 29.42 -10.52 47.04 27.72 -10.63 47.68 28.57 2 0 8.49 -999 ? CL CL C 203 >GLU~C 65 -14.02 51.38 31.36 -13.86 50.18 29.63 -13.94 50.78 30.50 2 0 12.15 -999 ? CL CL C 203 >VAL~C 66 -11.84 52.33 35.67 -13.24 51.67 37.20 -12.54 52.00 36.43 3 0 10.76 -999 ? CH3 ACT C 301 >ALA~C 67 -8.20 51.25 35.92 -7.51 50.04 35.22 -7.85 50.64 35.57 2 0 8.09 -999 ? CL CL C 203 >LEU~C 68 -7.27 54.44 32.40 -5.34 53.77 31.68 -6.31 54.11 32.04 3 0 9.46 -999 ? CL CL C 203 >ARG~C 69 -12.96 57.05 36.96 -15.23 55.68 35.39 -14.10 56.37 36.17 2 0 14.72 -999 ? CH3 ACT C 301 >ILE~C 70 -7.73 53.84 39.63 -8.03 52.89 40.69 -7.88 53.37 40.16 3 0 10.69 -999 ? CH3 ACT C 301 >LEU~C 71 -3.53 54.72 36.68 -2.83 52.69 36.89 -3.18 53.70 36.78 3 0 10.30 -999 ? CL CL C 203 >GLN~C 72 -5.94 60.87 35.09 -4.45 61.30 33.63 -5.19 61.09 34.36 2 0 16.20 -999 ? CL CL C 203 >ARG~C 73 -8.01 61.75 41.62 -10.44 63.15 40.34 -9.22 62.45 40.98 2 0 19.49 -999 ? CH3 ACT C 301 >LEU~C 74 -2.51 57.28 41.48 -3.24 55.67 42.71 -2.87 56.48 42.10 3 0 14.40 -999 ? O ACT B 304 >GLN~C 75 0.56 61.05 37.01 0.50 60.83 34.89 0.53 60.94 35.95 2 0 16.24 -999 ? CL CL C 203 >GLU~C 76 -3.98 63.92 37.70 -6.01 64.18 37.13 -5.00 64.05 37.41 2 0 20.08 -999 ? CL CL C 203 >GLU~C 77 -5.84 64.35 43.42 -7.71 63.68 44.17 -6.77 64.01 43.79 2 0 20.13 -999 ? CH3 ACT C 301 >TYR~C 78 -2.76 60.08 45.99 -5.32 60.21 47.12 -4.04 60.14 46.56 3 0 17.53 -999 ? CH3 ACT B 304 >PHE.C 79 2.54 59.12 41.47 2.64 56.35 41.07 2.59 57.73 41.27 3 0 11.51 -999 ? CH3 ACT B 304 >PRO.C 80 1.65 65.07 41.98 2.99 64.02 43.43 2.32 64.55 42.71 3 0 17.19 -999 ? CH3 ACT B 304 >HIS.C 81 1.30 66.32 47.25 0.46 68.04 46.40 0.88 67.18 46.82 3 0 20.24 -999 ? CH3 ACT B 304 >TYR.C 82 1.46 61.13 49.70 -0.36 62.80 51.06 0.55 61.97 50.38 3 0 16.78 -999 ? CH3 ACT B 304 >ALA.C 83 6.08 58.06 47.73 7.18 57.55 48.64 6.63 57.81 48.19 2 0 9.83 -999 ? CH3 ACT B 304 >VAL.C 84 3.76 55.82 45.80 2.00 56.84 45.00 2.88 56.33 45.40 3 0 9.83 -999 ? CH3 ACT B 304 >ILE^C 85 4.87 51.67 43.74 5.96 50.88 43.92 5.42 51.28 43.83 3 0 -4.56 -999 ? CH3 ACT B 304s >ALA^C 86 1.15 52.16 41.02 0.19 53.34 40.95 0.67 52.75 40.98 2 0 10.28 -999 ? O ACT B 304 >TYR^C 87 2.28 47.86 39.06 2.71 45.79 40.92 2.49 46.83 39.99 3 0 6.46 -999 ? O ACT B 304 >VAL^C 88 -1.70 47.58 36.18 -3.13 48.78 35.08 -2.41 48.18 35.63 3 0 5.72 -999 ? CL CL C 203 >GLU^C 89 0.03 43.20 36.88 0.18 41.91 38.57 0.10 42.55 37.73 2 0 9.21 -999 ? CL CL C 203 >ASN^C 90 -3.57 41.72 31.30 -5.19 41.10 30.13 -4.38 41.41 30.71 2 0 -5.08 -999 ? CL CL C 203s >VAL^C 91 -5.96 39.29 34.50 -5.93 40.19 36.52 -5.94 39.74 35.51 3 0 7.59 -999 ? CL CL A 201 >TRP^C 92 -7.30 36.96 30.85 -10.33 36.27 28.42 -8.81 36.61 29.63 3 0 -5.89 -999 ? CL CL A 201s >VAL^C 93 -11.11 36.54 36.71 -11.09 38.33 37.91 -11.10 37.44 37.31 3 0 9.02 -999 ? CH3 ACT C 301 >VAL^C 94 -13.62 33.94 37.87 -13.43 31.96 38.79 -13.53 32.95 38.33 3 0 11.86 -999 ? O ACT C 301 >ARG.C 95 -19.41 33.29 38.70 -21.06 30.88 37.75 -20.23 32.09 38.22 2 0 16.43 -999 ? O ACT C 301 >GLY~C 96 -15.42 38.71 37.14 -16.18 38.54 36.96 -15.80 38.63 37.05 1 0 9.07 -999 ? CH3 ACT C 301 >GLU~C 97 -19.69 38.70 34.05 -19.03 36.73 34.44 -19.36 37.71 34.25 2 0 13.74 -999 ? CH3 ACT C 301 >LYS~C 98 -19.31 41.45 39.34 -17.64 37.26 43.62 -18.47 39.35 41.48 2 0 7.72 -999 ? O ACT C 301 >TYR~C 99 -14.59 42.37 40.43 -14.19 40.56 42.54 -14.39 41.47 41.48 3 0 -4.22 -999 ? CH3 ACT C 301s >VAL~C 100 -17.51 45.83 36.32 -18.16 45.20 34.33 -17.83 45.51 35.32 3 0 10.38 -999 ? CH3 ACT C 301