REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-OCT-06 2IMJ COMPND HYPOTHETICAL PROTEIN DUF1348; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS PF-5; SOURCE 3 ORGANISM_TAXID: 220664; SOURCE 4 STRAIN: PF-5, ATCC BAA-477; SOURCE 5 GENE: PFL_3262; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR W.ZHOU,F.FOROUHAR,J.SEETHARAMAN,C.X.CHEN,Y.FANG, AUTHOR 2 K.CUNNINGHAM,L.-C.MA,R.XIAO,J.LIU,M.C.BARAN,T.B.ACTON, AUTHOR 3 G.T.MONTELIONE,J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL AUTHOR 4 GENOMICS CONSORTIUM (NESG) HET MSE A 121 8 HET MSE A 131 8 HET MSE B 121 8 HET MSE B 131 8 HET MSE C 121 8 HET MSE C 131 8 HET MSE D 121 8 HET MSE D 131 8 HET ACT A 201 4 HET ACT A 202 4 HET ACT A 203 4 HET ACT B 201 4 HET ACT C 201 4 HET ACT D 201 4 HET EDO A 301 4 HET EDO A 302 4 SITE 1 AC1 9 TRP A 30 LYS A 68 TYR A 75 LYS A 79 SITE 1 AC2 7 ARG A 49 PHE A 125 ARG B 92 TYR B 108 SITE 1 AC3 6 HIS A 98 GLY A 102 TRP A 104 HOH A 493 SITE 1 AC4 9 TRP B 30 LYS B 68 TYR B 75 LYS B 79 SITE 1 AC5 9 TRP C 30 LYS C 68 TYR C 75 LYS C 79 SITE 1 AC6 9 TRP D 30 LYS D 68 TYR D 75 LYS D 79 SITE 1 AC7 4 TRP A 97 HOH A 326 TRP C 97 HOH C 274 SITE 1 AC8 2 PHE A 54 HOH A 538 >ALA.A 5 -11.05 80.94 60.69 -10.18 81.89 59.88 -10.62 81.41 60.28 2 0 26.28 -999 ? CH3 ACT A 201 >GLN.A 6 -16.12 80.34 60.52 -18.03 79.38 60.39 -17.07 79.86 60.46 2 0 18.46 -999 ? CH3 ACT A 201 >VAL.A 7 -15.35 83.01 65.57 -13.87 84.35 66.42 -14.61 83.68 66.00 3 0 22.45 -999 ? CH3 ACT A 201 >ARG.A 8 -20.16 79.98 64.14 -22.57 80.76 62.41 -21.37 80.37 63.28 2 0 15.23 -999 ? CH3 ACT A 201 >PRO.A 9 -20.02 86.27 68.85 -19.71 84.14 69.38 -19.87 85.20 69.12 3 0 19.69 -999 ? CH3 ACT A 201 >PRO.A 10 -23.21 84.05 73.34 -21.34 83.73 72.18 -22.28 83.89 72.76 3 0 17.95 -999 ? CH3 ACT A 201 >LEU.A 11 -16.28 82.97 73.25 -15.67 83.67 71.29 -15.97 83.32 72.27 3 0 21.74 -999 ? CH3 ACT A 201 >PRO.A 12 -15.84 78.32 74.82 -16.88 80.04 75.76 -16.36 79.18 75.29 3 0 20.24 -999 ? CH3 ACT A 201 >PRO.A 13 -14.97 80.56 80.70 -16.08 79.85 78.92 -15.52 80.20 79.81 3 0 23.47 -999 ? CH3 ACT A 201 >PHE.A 14 -21.05 79.17 77.53 -20.41 78.32 74.94 -20.73 78.75 76.23 3 0 17.18 -999 ? CH3 ACT A 201 >THR~A 15 -22.30 82.34 82.17 -21.83 84.42 81.76 -22.07 83.38 81.96 2 0 22.99 -999 ? CH3 ACT A 201 >ARG~A 16 -29.16 81.79 84.92 -31.07 79.42 84.55 -30.12 80.61 84.73 2 0 19.68 -999 ? CH3 ACT A 201 >GLU~A 17 -26.80 87.18 79.85 -26.18 89.13 80.39 -26.49 88.15 80.12 2 0 23.86 -999 ? CH3 ACT A 201 >SER~A 18 -24.38 83.84 77.64 -22.19 83.01 78.40 -23.28 83.42 78.02 2 0 19.91 -999 ? CH3 ACT A 201 >ALA~A 19 -25.44 80.18 77.74 -25.49 79.27 78.96 -25.47 79.72 78.35 2 0 16.44 -999 ? CH3 ACT A 201 >ILE~A 20 -29.93 82.09 78.17 -31.08 82.28 79.01 -30.50 82.19 78.59 3 0 16.59 -999 ? CH3 ACT A 201 >GLU~A 21 -26.74 85.39 73.13 -25.47 87.07 73.30 -26.10 86.23 73.22 2 0 19.20 -999 ? CH3 ACT A 201 >LYS~A 22 -25.90 80.72 72.77 -21.11 80.01 70.15 -23.50 80.37 71.46 2 0 15.35 -999 ? CH3 ACT A 201 >ILE~A 23 -29.67 78.01 74.20 -30.07 77.06 75.16 -29.87 77.53 74.68 3 0 10.77 -999 ? CH3 ACT A 201 >ARG~A 24 -33.88 82.79 71.01 -36.66 83.48 69.87 -35.27 83.13 70.44 2 0 13.97 -999 ? CH3 ACT A 201 >LEU~A 25 -27.50 82.26 68.63 -26.98 84.36 68.67 -27.24 83.31 68.65 3 0 14.11 -999 ? CH3 ACT A 201 >ALA~A 26 -28.72 78.00 67.87 -28.24 76.96 68.88 -28.48 77.48 68.37 2 0 8.12 -999 ? CH3 ACT A 201 >GLU~A 27 -34.88 77.89 68.90 -36.12 78.93 70.26 -35.50 78.41 69.58 2 0 9.74 -999 ? CH3 ACT A 201 >ASP~A 28 -32.24 81.95 65.60 -33.17 83.07 67.14 -32.70 82.51 66.37 2 0 12.70 -999 ? CH3 ACT A 201 >GLY~A 29 -30.30 78.71 63.24 -31.02 78.43 63.55 -30.66 78.57 63.40 1 0 9.49 -999 ? CH3 ACT A 201 >TRP~A 30 -29.79 74.32 65.17 -29.61 70.47 64.42 -29.70 72.40 64.79 3 0 -4.28 -999 ? CH3 ACT A 201s >ASN~A 31 -36.15 78.19 63.69 -37.32 77.26 65.21 -36.73 77.73 64.45 2 0 8.53 -999 ? CH3 ACT A 201 >SER.A 32 -34.08 78.47 59.42 -31.66 78.25 59.14 -32.87 78.36 59.28 2 0 11.27 -999 ? CH3 ACT A 201 >ARG.A 33 -37.81 74.92 58.71 -38.09 77.66 57.35 -37.95 76.29 58.03 2 0 12.39 -999 ? O ACT A 201 >ASP~A 34 -30.67 77.29 56.10 -29.14 77.80 54.72 -29.91 77.55 55.41 2 0 14.63 -999 ? O ACT A 201 >PRO~A 35 -29.88 71.73 55.04 -28.90 73.40 56.13 -29.39 72.57 55.58 3 0 11.48 -999 ? O ACT A 201 >GLU~A 36 -24.24 76.94 53.59 -22.34 76.00 53.73 -23.29 76.47 53.66 2 0 17.83 -999 ? CH3 ACT A 201 >ARG~A 37 -28.83 80.54 58.97 -30.62 82.33 60.70 -29.72 81.43 59.83 2 0 13.73 -999 ? CH3 ACT A 201 >VAL~A 38 -26.58 75.60 60.50 -28.25 74.47 61.35 -27.41 75.04 60.93 3 0 9.37 -999 ? CH3 ACT A 201 >SER~A 39 -23.46 73.59 59.60 -22.83 73.90 57.26 -23.15 73.75 58.43 2 0 14.37 -999 ? CH3 ACT A 201 >LEU~A 40 -21.49 78.02 59.34 -21.07 78.38 57.25 -21.28 78.20 58.29 3 0 16.40 -999 ? CH3 ACT A 201 >ALA.A 41 -21.87 76.61 63.78 -23.26 76.64 64.42 -22.56 76.63 64.10 2 0 11.63 -999 ? CH3 ACT A 201 >TYR^A 42 -22.07 72.08 64.22 -24.60 72.36 65.39 -23.33 72.22 64.81 3 0 9.79 -999 ? CH3 ACT A 201 >THR^A 43 -16.17 72.65 63.81 -15.51 71.79 65.68 -15.84 72.22 64.74 2 0 16.05 -999 ? OXT ACT A 202 >LEU^A 44 -13.52 71.77 59.84 -13.37 73.41 58.44 -13.44 72.59 59.14 3 0 20.73 -999 ? OXT ACT A 202 >ASP^A 45 -12.72 67.64 62.66 -11.94 68.82 64.26 -12.33 68.23 63.46 2 0 16.09 -999 ? OXT ACT A 202 >THR^A 46 -17.27 68.11 64.46 -19.35 68.72 64.20 -18.31 68.42 64.33 2 0 13.12 -999 ? OXT ACT A 202 >GLN^A 47 -15.92 64.14 66.68 -15.70 62.99 64.91 -15.81 63.56 65.80 2 0 9.90 -999 ? O1 EDO A 302 >TRP^A 48 -21.95 67.01 65.30 -25.27 68.30 63.60 -23.61 67.65 64.45 3 0 8.95 -999 ? OXT ACT A 201 >ARG^A 49 -25.12 58.31 69.83 -26.93 60.25 71.40 -26.02 59.28 70.61 2 0 -3.92 -999 ? O ACT A 202s >ASN^A 50 -28.17 63.14 65.41 -30.17 63.83 65.25 -29.17 63.49 65.33 2 0 5.02 -999 ? OXT ACT A 201 >ARG.A 51 -33.46 60.54 65.68 -36.32 61.50 66.33 -34.89 61.02 66.01 2 0 6.25 -999 ? O1 EDO A 301 >ALA.A 52 -28.67 56.33 66.41 -29.48 55.05 66.20 -29.08 55.69 66.30 2 0 7.92 -999 ? O2 EDO A 302 >GLU^A 53 -26.96 59.20 61.32 -28.18 60.32 59.98 -27.57 59.76 60.65 2 0 10.41 -999 ? O2 EDO A 302 >PHE^A 54 -22.35 57.66 65.34 -22.90 56.19 67.67 -22.62 56.92 66.50 3 0 -3.83 -999 ? O1 EDO A 302s >ALA^A 55 -21.44 62.27 61.83 -22.27 63.55 61.72 -21.85 62.91 61.78 2 0 10.63 -999 ? O1 EDO A 302 >HIS.A 56 -17.38 60.38 62.27 -18.29 58.66 63.03 -17.83 59.52 62.65 3 0 6.76 -999 ? O1 EDO A 302 >ASN~A 57 -16.25 65.99 58.99 -17.06 64.89 57.36 -16.66 65.44 58.17 2 0 14.18 -999 ? O1 EDO A 302 >ARG~A 58 -18.95 73.08 58.27 -17.11 75.32 59.26 -18.03 74.20 58.76 2 0 18.13 -999 ? CH3 ACT A 201 >GLU~A 59 -19.57 66.85 53.38 -18.14 66.20 51.96 -18.85 66.52 52.67 2 0 18.41 -999 ? O2 EDO A 302 >GLU~A 60 -19.73 62.99 57.19 -19.03 61.21 58.09 -19.38 62.10 57.64 2 0 10.63 -999 ? O2 EDO A 302 >ALA~A 61 -23.47 66.96 59.63 -22.85 67.97 60.60 -23.16 67.46 60.12 2 0 11.27 -999 ? OXT ACT A 201 >LYS~A 62 -24.69 69.09 56.72 -23.65 73.04 51.86 -24.17 71.07 54.29 2 0 17.60 -999 ? O ACT A 201 >ALA~A 63 -25.75 65.96 54.80 -24.85 64.81 54.40 -25.30 65.39 54.60 2 0 14.85 -999 ? OXT ACT A 201 >PHE~A 64 -28.19 64.67 60.35 -30.23 64.79 62.27 -29.21 64.73 61.31 3 0 7.17 -999 ? OXT ACT A 201 >LEU~A 65 -28.79 69.55 58.35 -28.12 70.34 60.26 -28.45 69.95 59.30 3 0 8.41 -999 ? O ACT A 201 >THR~A 66 -30.35 68.05 54.38 -29.23 68.39 52.56 -29.79 68.22 53.47 2 0 13.87 -999 ? O ACT A 201 >ARG~A 67 -30.04 61.33 54.76 -27.14 61.67 55.68 -28.59 61.50 55.22 2 0 13.20 -999 ? O2 EDO A 302 >LYS~A 68 -33.65 65.97 58.12 -34.39 67.56 63.36 -34.02 66.76 60.74 2 0 -2.78 -999 ? O ACT A 201s >TRP~A 69 -35.84 70.67 59.04 -32.31 72.13 59.98 -34.07 71.40 59.51 3 0 6.39 -999 ? O ACT A 201 >ALA~A 70 -36.52 66.89 53.48 -35.54 66.12 52.61 -36.03 66.51 53.04 2 0 12.37 -999 ? C2 EDO A 301 >LYS~A 71 -38.35 64.60 55.93 -41.15 60.07 56.77 -39.75 62.33 56.35 2 0 4.32 -999 ? C2 EDO A 301 >GLU~A 72 -38.02 65.72 60.64 -36.78 66.00 62.33 -37.40 65.86 61.49 2 0 5.31 -999 ? O ACT A 201 >LEU^A 73 -43.00 68.59 56.18 -42.43 67.52 54.38 -42.72 68.06 55.28 3 0 7.24 -999 ? CH3 ACT A 203 >ASP^A 74 -44.71 72.29 58.72 -45.62 72.95 56.93 -45.16 72.62 57.83 2 0 5.73 -999 ? OXT ACT A 203 >TYR^A 75 -38.06 71.60 62.08 -35.99 71.56 63.96 -37.03 71.58 63.02 3 0 -4.52 -999 ? O ACT A 201s >ARG^A 76 -44.10 76.39 63.96 -45.67 76.44 61.31 -44.88 76.42 62.63 2 0 8.97 -999 ? OXT ACT A 203 >LEU^A 77 -36.85 74.02 66.79 -35.10 73.30 67.83 -35.97 73.66 67.31 3 0 4.67 -999 ? CH3 ACT A 201 >ILE^A 78 -39.14 75.79 71.67 -40.14 76.73 72.30 -39.64 76.26 71.98 3 0 10.33 -999 ? CH3 ACT A 201 >LYS^A 79 -34.66 75.11 72.84 -31.25 72.89 69.03 -32.95 74.00 70.94 2 0 -3.45 -999 ? CH3 ACT A 201s >GLU^A 80 -35.46 76.50 78.57 -37.32 76.28 79.54 -36.39 76.39 79.06 2 0 14.51 -999 ? CH3 ACT A 201 >LEU^A 81 -30.53 77.06 79.59 -28.72 77.19 80.78 -29.62 77.12 80.18 3 0 15.00 -999 ? CH3 ACT A 201 >TRP^A 82 -30.38 69.86 83.05 -34.07 70.22 84.37 -32.22 70.04 83.71 3 0 14.68 -999 ? O ACT B 201 >ALA^A 83 -27.44 73.39 82.90 -27.14 72.16 83.76 -27.29 72.77 83.33 2 0 17.38 -999 ? O ACT A 202 >PHE^A 84 -24.05 77.11 82.23 -23.91 79.14 84.16 -23.98 78.13 83.20 3 0 19.84 -999 ? CH3 ACT A 201 >THR^A 85 -20.41 74.13 82.96 -20.15 72.63 84.47 -20.28 73.38 83.72 2 0 18.12 -999 ? O ACT A 202 >ASP.A 86 -16.25 74.73 81.62 -15.60 74.59 83.62 -15.92 74.66 82.62 2 0 20.24 -999 ? CH3 ACT A 202 >ASN.A 87 -16.21 74.81 76.88 -15.45 72.83 77.10 -15.83 73.82 76.99 2 0 16.46 -999 ? O ACT A 202 >ARG^A 88 -18.98 69.22 79.04 -17.48 66.59 79.46 -18.23 67.90 79.25 2 0 11.13 -999 ? CH3 ACT A 202 >ILE^A 89 -24.58 74.42 76.75 -25.00 75.81 76.49 -24.79 75.11 76.62 3 0 13.20 -999 ? CH3 ACT A 201 >ALA^A 90 -27.00 70.90 78.40 -27.10 70.23 79.75 -27.05 70.56 79.07 2 0 13.57 -999 ? O ACT A 202 >VAL^A 91 -30.13 71.76 76.41 -29.86 73.17 74.76 -29.99 72.47 75.58 3 0 9.10 -999 ? CH3 ACT A 201 >ARG^A 92 -35.15 70.11 80.06 -38.17 70.69 80.11 -36.66 70.40 80.09 2 0 14.09 -999 ? CH3 ACT A 201 >TYR^A 93 -34.34 70.13 71.57 -32.99 68.09 70.18 -33.66 69.11 70.88 3 0 -4.07 -999 ? CH3 ACT A 201s >ALA^A 94 -39.00 70.14 71.43 -40.24 70.27 72.30 -39.62 70.21 71.86 2 0 9.17 -999 ? CH3 ACT A 201 >TYR^A 95 -38.20 69.00 66.47 -37.00 66.61 65.61 -37.60 67.80 66.04 3 0 -3.85 -999 ? O ACT A 201s >GLU^A 96 -44.74 70.71 67.91 -46.53 71.68 68.48 -45.64 71.20 68.19 2 0 11.70 -999 ? OXT ACT A 203 >TRP^A 97 -41.41 66.78 64.19 -41.25 63.55 61.93 -41.33 65.16 63.06 3 0 -5.71 -999 ? O1 EDO A 301s >HIS^A 98 -46.65 67.75 58.52 -46.50 68.86 56.74 -46.58 68.30 57.63 3 0 -3.60 -999 ? C ACT A 203s >ASP.A 99 -44.15 62.19 57.97 -45.93 61.14 58.45 -45.04 61.67 58.21 2 0 5.71 -999 ? O2 EDO A 301 >ASP.A 100 -44.77 63.42 52.85 -43.43 61.81 52.77 -44.10 62.61 52.81 2 0 9.07 -999 ? O2 EDO A 301 >SER.A 101 -48.36 60.96 55.15 -47.04 58.94 54.93 -47.70 59.95 55.04 2 0 7.80 -999 ? O2 EDO A 301 >GLY.A 102 -50.08 63.60 57.27 -49.56 63.13 57.61 -49.82 63.36 57.44 1 0 -3.56 -999 ? O ACT A 203s >ASN.A 103 -48.04 61.08 60.88 -48.95 59.43 59.91 -48.50 60.25 60.40 2 0 7.23 -999 ? O2 EDO A 301 >TRP^A 104 -50.36 67.21 61.67 -48.01 70.37 61.54 -49.19 68.79 61.61 3 0 -4.29 -999 ? OXT ACT A 203s >PHE^A 105 -44.46 62.63 64.59 -44.88 60.33 63.05 -44.67 61.48 63.82 3 0 4.28 -999 ? O1 EDO A 301 >ARG^A 106 -44.60 68.65 71.93 -47.65 68.54 71.92 -46.12 68.59 71.92 2 0 14.48 -999 ? O1 EDO A 301 >SER^A 107 -40.35 65.45 69.21 -39.92 64.63 66.96 -40.13 65.04 68.09 2 0 6.74 -999 ? O1 EDO A 301 >TYR^A 108 -40.87 65.49 73.93 -43.61 66.01 74.07 -42.24 65.75 74.00 3 0 12.28 -999 ? O ACT A 201 >GLY^A 109 -34.97 66.16 72.79 -35.28 66.58 73.38 -35.13 66.37 73.08 1 0 6.82 -999 ? OXT ACT A 201 >ASN^A 110 -31.91 65.50 76.29 -33.35 65.88 77.83 -32.63 65.69 77.06 2 0 10.87 -999 ? O ACT B 201 >GLU^A 111 -29.42 69.91 72.34 -30.01 70.85 70.54 -29.71 70.38 71.44 2 0 4.34 -999 ? CH3 ACT A 201 >ASN^A 112 -24.96 67.02 76.01 -26.38 66.67 77.57 -25.67 66.84 76.79 2 0 9.36 -999 ? O ACT A 202 >TRP^A 113 -25.55 70.89 71.82 -27.34 74.39 71.87 -26.44 72.64 71.85 3 0 8.12 -999 ? CH3 ACT A 201 >GLU^A 114 -17.01 70.06 74.63 -16.05 68.26 75.13 -16.53 69.16 74.88 2 0 11.87 -999 ? CH3 ACT A 202 >PHE^A 115 -19.74 75.51 72.32 -22.50 75.42 71.86 -21.12 75.47 72.09 3 0 13.56 -999 ? CH3 ACT A 201 >ASP.A 116 -13.42 74.73 69.90 -14.01 76.08 68.36 -13.71 75.41 69.13 2 0 19.55 -999 ? CH3 ACT A 201 >GLU.A 117 -10.16 77.53 73.12 -10.08 75.57 72.28 -10.12 76.55 72.70 2 0 20.82 -999 ? OXT ACT A 202 >GLN.A 118 -11.85 80.36 67.51 -10.49 79.45 68.87 -11.17 79.90 68.19 2 0 24.03 -999 ? CH3 ACT A 201 >GLY.A 119 -17.44 79.22 69.94 -17.03 78.76 69.44 -17.24 78.99 69.69 1 0 17.82 -999 ? CH3 ACT A 201 >LEU.A 120 -16.79 76.18 66.21 -16.58 77.34 64.41 -16.68 76.76 65.31 3 0 17.31 -999 ? CH3 ACT A 201 >MET?A 121 -19.39 73.22 68.51 -23.08 71.33 69.62 -21.23 72.27 69.07 2 0 9.94 -999 ? CH3 ACT A 201 >ALA.A 122 -16.88 70.35 68.54 -15.61 70.41 69.38 -16.25 70.38 68.96 2 0 13.78 -999 ? OXT ACT A 202 >ARG.A 123 -16.75 65.40 71.93 -16.81 64.50 74.86 -16.78 64.95 73.39 2 0 8.27 -999 ? CH3 ACT A 202 >ARG.A 124 -25.78 68.55 67.34 -28.71 67.64 66.97 -27.24 68.09 67.16 2 0 -3.54 -999 ? OXT ACT A 201s >PHE.A 125 -22.79 63.54 72.77 -20.07 62.88 72.67 -21.43 63.21 72.72 3 0 -4.61 -999 ? O ACT A 202s >ALA.A 126 -28.54 64.52 70.82 -28.98 65.37 69.63 -28.76 64.95 70.22 2 0 5.06 -999 ? OXT ACT A 201 >CYH.A 127 -31.19 62.06 71.95 -29.40 60.66 73.55 -30.29 61.36 72.75 2 0 6.15 -999 ? O ACT A 202 >ILE.A 128 -34.69 63.26 69.27 -34.59 64.37 68.42 -34.64 63.81 68.84 3 0 -5.32 -999 ? OXT ACT A 201s >ASN.A 129 -38.33 60.18 72.42 -36.71 58.96 73.06 -37.52 59.57 72.74 2 0 9.65 -999 ? O ACT B 201 >ASP.A 130 -41.07 60.81 67.56 -39.08 61.04 66.87 -40.08 60.93 67.21 2 0 4.80 -999 ? O1 EDO A 301 >MET?A 131 -44.81 61.44 70.18 -46.75 62.70 73.78 -45.78 62.07 71.98 2 0 12.81 -999 ? O1 EDO A 301 >PRO.A 132 -47.06 58.93 67.49 -47.12 61.07 68.10 -47.09 60.00 67.80 3 0 7.89 -999 ? O1 EDO A 301 >ILE.A 133 -49.47 65.46 68.46 -48.45 66.41 68.60 -48.96 65.94 68.53 3 0 11.34 -999 ? O ACT A 203 >LYS~A 134 -53.24 65.33 66.31 -57.37 62.85 65.73 -55.30 64.09 66.02 2 0 11.98 -999 ? O ACT A 203 >ALA~A 135 -52.93 68.60 64.38 -53.51 68.88 63.01 -53.22 68.74 63.69 2 0 6.35 -999 ? OXT ACT A 203 >GLN~A 136 -56.96 68.29 67.10 -57.39 67.81 65.07 -57.17 68.05 66.09 2 0 10.47 -999 ? OXT ACT A 203 >GLU~A 137 -53.30 67.06 70.37 -52.56 65.17 70.96 -52.93 66.12 70.66 2 0 14.03 -999 ? O ACT A 203 >ARG~A 138 -50.06 71.52 64.11 -49.59 74.03 62.40 -49.82 72.78 63.26 2 0 6.49 -999 ? OXT ACT A 203 >LYS.A 139 -48.50 74.28 70.24 -48.23 71.73 76.05 -48.36 73.00 73.15 2 0 17.81 -999 ? O ACT A 201 >PHE.A 140 -44.06 74.70 68.64 -42.76 73.46 70.80 -43.41 74.08 69.72 3 0 11.31 -999 ? O ACT A 201 >HIS.A 141 -49.96 77.41 66.16 -51.01 75.70 66.78 -50.48 76.56 66.47 3 0 11.20 -999 ? OXT ACT A 203 >TRP.A 142 -42.03 80.57 64.19 -41.88 78.10 67.25 -41.95 79.33 65.72 3 0 12.79 -999 ? O ACT A 201 >PRO.A 143 -45.40 83.91 60.92 -44.66 81.85 61.31 -45.03 82.88 61.11 3 0 14.60 -999 ? OXT ACT A 203 >LEU.A 144 -41.72 78.34 58.45 -42.40 76.29 58.46 -42.06 77.31 58.45 3 0 11.24 -999 ? OXT ACT A 203 >GLY.A 145 -38.43 80.69 60.76 -38.91 80.43 61.42 -38.67 80.56 61.09 1 0 13.13 -999 ? O ACT A 201 >ARG.A 146 -35.10 85.34 65.39 -35.74 86.54 68.15 -35.42 85.94 66.77 2 0 16.48 -999 ? CH3 ACT A 201 >ARG.A 147 -40.14 80.19 70.35 -38.27 80.75 72.73 -39.20 80.47 71.54 2 0 13.06 -999 ? CH3 ACT A 201 >PRO.A 148 -42.74 84.97 66.56 -40.82 84.85 67.66 -41.78 84.91 67.11 3 0 17.15 -999 ? CH3 ACT A 201 >ASP.A 149 -38.64 88.42 71.14 -36.90 88.52 69.95 -37.77 88.47 70.55 2 0 18.85 -999 ? CH3 ACT A 201 >ASP.A 150 -43.95 88.27 71.85 -43.22 89.50 70.29 -43.58 88.89 71.07 2 0 22.07 -999 ? CH3 ACT A 201 >HIS.A 151 -43.83 81.49 70.61 -45.02 79.78 70.42 -44.43 80.63 70.51 3 0 15.97 -999 ? CH3 ACT A 201 >PRO.A 152 -45.55 80.80 74.43 -43.59 81.84 74.53 -44.57 81.32 74.48 3 0 17.76 -999 ? CH3 ACT A 201 >GLY~A 153 -40.49 79.09 75.61 -41.22 78.96 76.01 -40.85 79.02 75.81 1 0 14.45 -999 ? CH3 ACT A 201 >LEU~A 154 -39.19 74.64 76.97 -38.88 72.97 75.63 -39.04 73.80 76.30 3 0 11.68 -999 ? CH3 ACT A 201 >SER~A 155 -40.89 76.76 80.50 -38.67 76.97 81.48 -39.78 76.86 80.99 2 0 16.89 -999 ? CH3 ACT A 201 >GLU~A 156 -42.77 81.40 79.58 -42.85 83.31 78.67 -42.81 82.35 79.13 2 0 20.10 -999 ? CH3 ACT A 201 >LEU~A 157 -45.16 75.74 76.44 -45.39 76.60 74.48 -45.28 76.17 75.46 3 0 16.18 -999 ? CH3 ACT A 201 >GLY~A 158 -45.28 73.93 80.63 -45.09 73.75 79.84 -45.19 73.84 80.23 1 0 18.81 -999 ? CH3 ACT A 201 >LEU.A 159 -45.58 69.18 81.54 -44.85 67.17 81.78 -45.22 68.17 81.66 3 0 17.55 -999 ? O ACT B 201 >GLU.A 160 -45.30 71.21 75.74 -44.17 71.89 74.09 -44.73 71.55 74.92 2 0 13.50 -999 ? O ACT A 201 >HIS.A 161 -48.72 65.75 79.30 -49.45 66.41 81.15 -49.09 66.08 80.23 3 0 19.24 -999 ? O ACT B 201 >HIS.A 162 -51.28 62.77 74.01 -50.27 62.16 72.28 -50.77 62.46 73.15 3 0 14.54 -999 ? O1 EDO A 301 >ALA.B 5 -37.78 58.32 101.20 -36.54 58.26 100.29 -37.16 58.29 100.75 2 0 18.71 -999 ? CH3 ACT B 201 >GLN.B 6 -34.98 60.90 105.56 -34.00 59.01 105.79 -34.49 59.96 105.68 2 0 23.63 -999 ? CH3 ACT B 201 >VAL.B 7 -33.03 62.19 102.55 -32.21 63.77 103.79 -32.62 62.98 103.17 3 0 22.07 -999 ? CH3 ACT B 201 >ARG.B 8 -31.04 58.38 97.06 -32.26 55.57 97.13 -31.65 56.97 97.10 2 0 14.49 -999 ? CH3 ACT B 201 >PRO.B 9 -26.50 61.15 101.66 -27.70 62.10 100.05 -27.10 61.62 100.86 3 0 19.80 -999 ? CH3 ACT B 201 >PRO.B 10 -23.67 63.07 96.78 -25.52 63.38 97.97 -24.59 63.22 97.38 3 0 18.13 -999 ? CH3 ACT B 201 >LEU.B 11 -28.00 67.58 99.91 -29.03 66.43 101.42 -28.51 67.01 100.67 3 0 21.85 -999 ? CH3 ACT B 201 >PRO.B 12 -30.12 69.94 96.26 -27.96 69.60 96.66 -29.04 69.77 96.46 3 0 20.40 -999 ? CH3 ACT B 201 >PRO.B 13 -25.45 74.29 96.81 -26.49 72.45 96.11 -25.97 73.37 96.46 3 0 23.65 -999 ? CH3 ACT B 201 >PHE.B 14 -25.38 68.39 92.97 -27.74 66.99 93.52 -26.56 67.69 93.25 3 0 17.24 -999 ? CH3 ACT B 201 >THR~B 15 -19.99 70.45 93.36 -19.15 70.03 95.31 -19.57 70.24 94.34 2 0 23.10 -999 ? CH3 ACT B 201 >ARG~B 16 -15.28 68.46 88.00 -14.07 65.73 87.25 -14.67 67.09 87.63 2 0 17.22 -999 ? CH3 ACT A 202 >GLU~B 17 -16.26 64.60 95.04 -14.82 64.68 96.59 -15.54 64.64 95.82 2 0 23.60 -999 ? CH3 ACT B 201 >SER~B 18 -20.65 65.45 94.60 -21.88 67.54 95.01 -21.27 66.49 94.80 2 0 19.96 -999 ? CH3 ACT B 201 >ALA~B 19 -22.38 65.57 91.21 -22.22 66.67 90.15 -22.30 66.12 90.68 2 0 16.58 -999 ? CH3 ACT B 201 >ILE~B 20 -18.63 62.79 89.81 -17.43 62.68 89.02 -18.03 62.74 89.41 3 0 16.61 -999 ? CH3 ACT A 202 >GLU~B 21 -19.23 61.49 94.88 -18.90 62.15 96.87 -19.07 61.82 95.88 2 0 20.11 -999 ? CH3 ACT B 201 >LYS~B 22 -24.70 61.49 92.69 -28.99 62.66 95.83 -26.85 62.07 94.26 2 0 15.43 -999 ? CH3 ACT B 201 >ILE~B 23 -23.59 60.68 88.04 -23.42 61.34 86.83 -23.51 61.01 87.43 3 0 10.91 -999 ? CH3 ACT B 201 >ARG~B 24 -20.35 54.64 90.03 -19.09 51.96 89.19 -19.72 53.30 89.61 2 0 14.02 -999 ? CH3 ACT B 201 >LEU~B 25 -25.39 57.02 94.16 -24.18 57.09 95.95 -24.78 57.06 95.06 3 0 14.08 -999 ? CH3 ACT B 201 >ALA~B 26 -27.84 56.51 90.43 -28.15 57.77 89.64 -27.99 57.14 90.04 2 0 8.11 -999 ? CH3 ACT B 201 >GLU~B 27 -24.11 53.46 86.45 -22.04 53.54 86.08 -23.08 53.50 86.26 2 0 9.83 -999 ? CH3 ACT B 201 >ASP~B 28 -24.83 51.75 92.00 -22.77 52.17 91.83 -23.80 51.96 91.92 2 0 12.70 -999 ? CH3 ACT B 201 >GLY~B 29 -29.24 51.82 91.44 -28.87 51.66 90.72 -29.06 51.74 91.08 1 0 9.46 -999 ? CH3 ACT B 201 >TRP~B 30 -31.05 54.49 87.84 -34.09 54.74 85.35 -32.57 54.62 86.60 3 0 -4.15 -999 ? CH3 ACT B 201s >ASN~B 31 -26.33 48.60 87.43 -25.42 49.22 85.60 -25.88 48.91 86.52 2 0 8.56 -999 ? CH3 ACT B 201 >SER.B 32 -29.79 46.60 90.02 -31.32 47.94 91.35 -30.55 47.27 90.68 2 0 11.07 -999 ? CH3 ACT B 201 >ARG.B 33 -30.14 45.04 86.20 -29.28 42.52 87.71 -29.71 43.78 86.96 2 0 12.67 -999 ? OXT ACT B 201 >ASP~B 34 -34.29 46.44 92.12 -35.67 46.00 93.67 -34.98 46.22 92.89 2 0 14.61 -999 ? OXT ACT B 201 >PRO~B 35 -38.80 47.31 88.76 -37.54 48.40 90.25 -38.17 47.86 89.50 3 0 11.40 -999 ? OXT ACT B 201 >GLU~B 36 -39.08 48.65 96.43 -40.52 50.19 96.69 -39.80 49.42 96.56 2 0 17.47 -999 ? CH3 ACT B 201 >ARG~B 37 -31.32 49.06 94.80 -28.26 48.93 94.55 -29.79 48.99 94.68 2 0 13.57 -999 ? CH3 ACT B 201 >VAL~B 38 -34.68 52.65 91.94 -34.13 52.42 89.85 -34.41 52.54 90.90 3 0 9.11 -999 ? CH3 ACT B 201 >SER~B 39 -38.00 54.38 92.68 -39.49 53.00 94.02 -38.74 53.69 93.35 2 0 14.17 -999 ? CH3 ACT B 201 >LEU~B 40 -36.29 54.47 97.22 -37.42 52.91 98.18 -36.85 53.69 97.70 3 0 16.08 -999 ? CH3 ACT B 201 >ALA.B 41 -34.48 57.97 94.75 -33.37 57.61 93.78 -33.92 57.79 94.26 2 0 11.62 -999 ? CH3 ACT B 201 >TYR^B 42 -37.05 59.03 91.10 -34.97 58.34 89.38 -36.01 58.69 90.24 3 0 9.74 -999 ? CH3 ACT B 201 >THR^B 43 -39.88 62.28 95.16 -39.68 64.27 94.34 -39.78 63.27 94.75 2 0 17.03 -999 ? O ACT B 201 >LEU^B 44 -44.10 61.14 97.26 -43.86 59.92 99.02 -43.98 60.53 98.14 3 0 20.70 -999 ? O ACT B 201 >ASP^B 45 -45.52 64.51 93.81 -44.25 65.94 94.72 -44.88 65.23 94.26 2 0 20.35 -999 ? O ACT B 201 >THR^B 46 -41.83 63.03 90.93 -40.53 61.43 90.23 -41.18 62.23 90.58 2 0 13.06 -999 ? O ACT B 201 >GLN^B 47 -43.79 66.33 88.09 -45.65 65.30 88.17 -44.72 65.82 88.13 2 0 17.37 -999 ? O ACT B 201 >TRP^B 48 -39.73 60.89 87.11 -38.13 57.34 86.55 -38.93 59.11 86.83 3 0 8.84 -999 ? O ACT B 201 >ARG^B 49 -40.89 64.28 77.45 -37.86 63.79 77.23 -39.38 64.03 77.34 2 0 10.37 -999 ? O ACT B 201 >ASN^B 50 -39.13 57.82 80.42 -37.65 56.39 79.89 -38.39 57.10 80.15 2 0 4.93 -999 ? O ACT B 201 >ARG.B 51 -37.69 55.58 74.87 -35.47 53.51 74.34 -36.58 54.54 74.60 2 0 7.67 -999 ? O ACT B 201 >ALA.B 52 -42.54 59.91 74.80 -43.03 59.60 73.39 -42.79 59.75 74.10 2 0 10.80 -999 ? O1 EDO A 301 >GLU^B 53 -44.66 56.42 79.28 -43.94 54.52 79.83 -44.30 55.47 79.55 2 0 11.09 -999 ? O ACT B 201 >PHE^B 54 -45.35 62.65 79.93 -44.68 64.28 77.75 -45.02 63.47 78.84 3 0 14.58 -999 ? O ACT B 201 >ALA^B 55 -44.97 59.71 84.97 -43.80 58.86 85.49 -44.38 59.29 85.23 2 0 12.04 -999 ? O ACT B 201 >HIS.B 56 -48.13 62.85 85.87 -48.38 63.10 83.80 -48.25 62.97 84.83 3 0 17.31 -999 ? O ACT B 201 >ASN~B 57 -46.90 59.98 91.63 -48.14 58.47 90.79 -47.52 59.23 91.21 2 0 18.11 -999 ? O ACT B 201 >ARG~B 58 -41.40 56.24 95.43 -40.17 57.59 97.88 -40.78 56.91 96.66 2 0 17.86 -999 ? CH3 ACT B 201 >GLU~B 59 -47.90 53.57 92.50 -49.95 53.72 93.03 -48.92 53.64 92.76 2 0 20.69 -999 ? O ACT B 201 >GLU~B 60 -48.17 57.12 87.93 -49.17 58.57 86.76 -48.67 57.85 87.35 2 0 17.33 -999 ? O ACT B 201 >ALA~B 61 -42.38 55.75 87.87 -41.49 56.65 88.72 -41.94 56.20 88.30 2 0 11.33 -999 ? O ACT B 201 >LYS~B 62 -42.04 52.32 89.45 -42.77 48.33 94.37 -42.40 50.33 91.91 2 0 17.44 -999 ? OXT ACT B 201 >ALA~B 63 -44.69 50.92 87.09 -46.09 51.48 86.89 -45.39 51.20 86.99 2 0 14.82 -999 ? O ACT B 201 >PHE~B 64 -41.04 53.74 82.96 -38.84 53.80 81.23 -39.94 53.77 82.10 3 0 7.22 -999 ? O ACT B 201 >LEU~B 65 -38.85 50.92 86.92 -37.61 52.64 87.35 -38.23 51.78 87.13 3 0 8.48 -999 ? OXT ACT B 201 >THR~B 66 -41.26 47.26 85.92 -42.63 46.44 87.38 -41.95 46.85 86.65 2 0 13.82 -999 ? OXT ACT B 201 >ARG~B 67 -45.57 49.20 81.23 -45.93 51.82 82.79 -45.75 50.51 82.01 2 0 13.55 -999 ? O ACT B 201 >LYS~B 68 -38.81 48.53 81.27 -34.33 51.66 80.64 -36.57 50.10 80.95 2 0 -2.79 -999 ? OXT ACT B 201s >TRP~B 69 -34.09 46.73 83.20 -34.39 49.33 86.13 -34.24 48.03 84.67 3 0 6.43 -999 ? OXT ACT B 201 >ALA~B 70 -39.51 43.10 81.40 -41.00 43.24 81.69 -40.26 43.17 81.55 2 0 13.33 -999 ? OXT ACT B 201 >LYS~B 71 -38.47 44.35 77.96 -37.73 47.88 73.83 -38.10 46.12 75.90 2 0 10.83 -999 ? OXT ACT B 201 >GLU~B 72 -35.13 47.70 77.85 -34.58 49.69 78.28 -34.86 48.70 78.06 2 0 5.30 -999 ? OXT ACT B 201 >LEU^B 73 -33.40 40.68 78.73 -35.47 40.03 78.71 -34.44 40.36 78.72 3 0 13.29 -999 ? OXT ACT B 201 >ASP^B 74 -28.72 40.71 79.64 -29.03 38.66 80.05 -28.88 39.69 79.85 2 0 14.88 -999 ? OXT ACT B 201 >TYR^B 75 -30.51 47.57 81.98 -30.49 50.30 82.57 -30.50 48.94 82.28 3 0 -4.59 -999 ? OXT ACT B 201s >ARG^B 76 -23.34 44.19 81.38 -24.15 41.23 81.47 -23.75 42.71 81.43 2 0 14.33 -999 ? OXT ACT B 201 >LEU^B 77 -26.87 51.40 83.00 -27.59 53.42 83.20 -27.23 52.41 83.10 3 0 4.66 -999 ? CH3 ACT B 201 >ILE^B 78 -21.76 53.29 81.43 -20.30 52.96 81.27 -21.03 53.12 81.35 3 0 8.83 -999 ? CH3 ACT A 202 >LYS^B 79 -23.75 57.07 83.29 -29.11 56.74 84.70 -26.43 56.90 84.00 2 0 -3.44 -999 ? CH3 ACT B 201s >GLU^B 80 -19.12 60.55 81.96 -17.78 60.17 80.39 -18.45 60.36 81.17 2 0 7.87 -999 ? CH3 ACT A 202 >LEU^B 81 -20.64 64.33 85.07 -20.74 66.34 85.86 -20.69 65.33 85.46 3 0 13.74 -999 ? CH3 ACT A 202 >TRP^B 82 -23.37 68.40 78.71 -20.56 66.90 76.39 -21.96 67.65 77.55 3 0 9.86 -999 ? O ACT A 202 >ALA^B 83 -22.66 69.42 83.24 -23.04 70.52 82.25 -22.85 69.97 82.75 2 0 14.78 -999 ? O ACT A 202 >PHE^B 84 -22.29 70.30 88.22 -19.89 71.38 89.16 -21.09 70.84 88.69 3 0 19.62 -999 ? CH3 ACT A 202 >THR^B 85 -25.62 73.78 87.96 -25.78 75.31 86.43 -25.70 74.54 87.19 2 0 21.07 -999 ? CH3 ACT A 201 >ASP.B 86 -28.16 75.31 91.23 -27.42 77.23 90.74 -27.79 76.27 90.98 2 0 24.07 -999 ? CH3 ACT B 201 >ASN.B 87 -30.91 71.77 92.72 -32.40 72.79 91.60 -31.65 72.28 92.16 2 0 20.06 -999 ? CH3 ACT B 201 >ARG^B 88 -31.74 72.75 86.26 -33.87 74.56 85.05 -32.81 73.65 85.65 2 0 18.43 -999 ? CH3 ACT A 201 >ILE^B 89 -26.95 66.50 87.54 -26.01 65.78 88.43 -26.48 66.14 87.99 3 0 13.31 -999 ? CH3 ACT B 201 >ALA^B 90 -27.07 66.85 82.98 -26.70 67.91 81.96 -26.88 67.38 82.47 2 0 13.05 -999 ? O ACT A 202 >VAL^B 91 -26.04 63.24 82.38 -26.17 61.87 84.08 -26.11 62.55 83.23 3 0 9.23 -999 ? CH3 ACT B 201 >ARG^B 92 -22.98 63.29 76.72 -21.11 61.06 75.76 -22.05 62.17 76.24 2 0 -3.69 -999 ? CH3 ACT A 202s >TYR^B 93 -27.85 57.31 80.17 -30.64 57.51 79.89 -29.25 57.41 80.03 3 0 -4.16 -999 ? CH3 ACT B 201s >ALA^B 94 -25.63 54.27 77.41 -24.43 54.15 76.47 -25.03 54.21 76.94 2 0 5.26 -999 ? CH3 ACT A 202 >TYR^B 95 -29.40 51.18 78.64 -32.01 51.78 77.83 -30.70 51.48 78.24 3 0 -3.87 -999 ? OXT ACT B 201s >GLU^B 96 -24.44 47.78 75.39 -22.51 46.98 75.05 -23.48 47.38 75.22 2 0 10.60 -999 ? C1 EDO A 302 >TRP^B 97 -30.79 47.88 75.76 -34.11 46.82 73.93 -32.45 47.35 74.85 3 0 8.79 -999 ? OXT ACT B 201 >HIS^B 98 -30.93 39.91 75.36 -31.53 38.49 76.78 -31.23 39.20 76.07 3 0 14.98 -999 ? OXT ACT B 201 >ASP.B 99 -35.72 42.46 72.53 -35.18 41.59 70.69 -35.45 42.02 71.61 2 0 16.09 -999 ? OXT ACT B 201 >ASP.B 100 -38.83 38.92 74.28 -39.60 40.38 75.58 -39.22 39.65 74.93 2 0 15.93 -999 ? OXT ACT B 201 >SER.B 101 -36.32 37.86 70.76 -37.96 39.10 69.46 -37.14 38.48 70.11 2 0 19.25 -999 ? O ACT C 201 >GLY.B 102 -32.65 37.69 71.75 -32.89 38.32 71.31 -32.77 38.01 71.53 1 0 18.26 -999 ? OXT ACT B 201 >ASN.B 103 -32.39 41.19 68.51 -33.08 39.66 67.21 -32.74 40.43 67.86 2 0 17.21 -999 ? C2 EDO A 302 >TRP^B 104 -27.28 40.31 71.75 -26.80 41.20 75.55 -27.04 40.75 73.65 3 0 15.21 -999 ? C2 EDO A 302 >PHE^B 105 -31.64 46.86 70.65 -33.68 45.82 69.04 -32.66 46.34 69.84 3 0 13.39 -999 ? C2 EDO A 302 >ARG^B 106 -23.54 51.33 72.85 -22.07 49.40 71.00 -22.80 50.36 71.92 2 0 5.91 -999 ? C1 EDO A 302 >SER^B 107 -29.25 52.59 73.85 -31.29 51.35 74.31 -30.27 51.97 74.08 2 0 7.39 -999 ? OXT ACT B 201 >TYR^B 108 -26.20 55.78 72.02 -24.40 54.06 70.73 -25.30 54.92 71.37 3 0 -4.79 -999 ? O ACT A 202s >GLY^B 109 -29.36 58.56 76.35 -28.60 58.71 76.34 -28.98 58.63 76.34 1 0 6.82 -999 ? O ACT B 201 >ASN^B 110 -29.30 63.23 76.74 -27.50 63.37 75.59 -28.40 63.30 76.17 2 0 6.46 -999 ? O ACT A 202 >GLU^B 111 -29.98 61.01 82.70 -30.12 59.10 83.58 -30.05 60.06 83.14 2 0 4.46 -999 ? CH3 ACT B 201 >ASN^B 112 -32.04 67.09 81.98 -30.67 67.45 80.39 -31.35 67.27 81.18 2 0 12.13 -999 ? O ACT B 201 >TRP^B 113 -31.63 62.84 85.81 -28.45 61.10 87.36 -30.04 61.97 86.59 3 0 8.18 -999 ? CH3 ACT B 201 >GLU^B 114 -34.74 70.41 89.54 -36.11 71.74 88.69 -35.42 71.08 89.11 2 0 18.04 -999 ? O ACT B 201 >PHE^B 115 -31.33 65.89 92.58 -30.23 63.92 90.93 -30.78 64.90 91.76 3 0 13.53 -999 ? CH3 ACT B 201 >ASP.B 116 -36.38 68.31 96.56 -36.18 66.45 97.55 -36.28 67.38 97.05 2 0 19.49 -999 ? CH3 ACT B 201 >GLU.B 117 -33.80 72.26 99.63 -34.50 73.71 100.99 -34.15 72.99 100.31 2 0 26.48 -999 ? CH3 ACT B 201 >GLN.B 118 -35.76 66.30 101.92 -36.28 68.30 101.40 -36.02 67.30 101.66 2 0 23.59 -999 ? CH3 ACT B 201 >GLY.B 119 -31.59 64.88 97.59 -32.39 64.85 97.59 -31.99 64.86 97.59 1 0 17.96 -999 ? CH3 ACT B 201 >LEU.B 120 -35.92 62.93 96.67 -36.17 61.35 98.13 -36.05 62.14 97.40 3 0 17.11 -999 ? CH3 ACT B 201 >MET?B 121 -35.22 63.79 92.26 -33.88 62.70 88.34 -34.55 63.25 90.30 2 0 10.04 -999 ? CH3 ACT B 201 >ALA.B 122 -38.29 65.93 91.61 -38.40 67.34 92.16 -38.34 66.63 91.89 2 0 16.89 -999 ? O ACT B 201 >ARG.B 123 -38.78 69.90 87.63 -38.44 71.99 85.40 -38.61 70.94 86.52 2 0 17.76 -999 ? O ACT B 201 >ARG.B 124 -35.55 59.87 85.38 -34.97 57.89 83.09 -35.26 58.88 84.23 2 0 -3.52 -999 ? O ACT B 201s >PHE.B 125 -37.18 66.81 81.74 -39.05 68.51 82.95 -38.11 67.66 82.35 3 0 13.16 -999 ? O ACT B 201 >ALA.B 126 -34.85 61.51 79.63 -34.73 60.21 80.42 -34.79 60.86 80.02 2 0 5.01 -999 ? O ACT B 201 >CYH.B 127 -34.42 60.97 75.89 -35.29 63.54 75.29 -34.86 62.26 75.59 2 0 10.07 -999 ? OXT ACT A 201 >ILE.B 128 -33.33 56.51 75.67 -33.18 55.77 76.81 -33.26 56.14 76.24 3 0 -5.09 -999 ? O ACT B 201s >ASN.B 129 -31.81 57.09 70.18 -32.97 58.85 69.97 -32.39 57.97 70.08 2 0 9.80 -999 ? OXT ACT A 201 >ASP.B 130 -33.09 51.46 70.73 -34.18 51.80 72.52 -33.63 51.63 71.63 2 0 9.25 -999 ? OXT ACT B 201 >MET?B 131 -29.37 51.20 68.01 -25.59 52.57 66.52 -27.48 51.88 67.27 2 0 4.22 -999 ? O2 EDO A 302 >PRO.B 132 -31.12 48.10 65.52 -29.42 48.26 66.96 -30.27 48.18 66.24 3 0 9.70 -999 ? C2 EDO A 302 >ILE.B 133 -25.08 46.34 68.64 -24.91 46.92 69.93 -24.99 46.63 69.29 3 0 7.69 -999 ? C2 EDO A 302 >LYS~B 134 -24.49 42.38 66.88 -23.94 39.99 62.78 -24.22 41.19 64.83 2 0 12.79 -999 ? C2 EDO A 302 >ALA~B 135 -23.86 40.30 69.99 -24.20 38.82 70.13 -24.03 39.56 70.06 2 0 14.51 -999 ? C2 EDO A 302 >GLN~B 136 -19.47 40.44 66.98 -20.97 39.51 65.80 -20.22 39.97 66.39 2 0 12.78 -999 ? C2 EDO A 302 >GLU~B 137 -20.73 44.81 67.02 -21.84 45.98 65.65 -21.29 45.40 66.34 2 0 6.31 -999 ? C2 EDO A 302 >ARG~B 138 -23.44 41.55 74.26 -23.57 39.98 76.87 -23.50 40.77 75.57 2 0 16.35 -999 ? OXT ACT B 201 >LYS.B 139 -18.83 46.84 75.05 -16.49 49.79 71.17 -17.66 48.31 73.11 2 0 6.99 -999 ? C1 EDO A 302 >PHE.B 140 -21.72 48.56 78.43 -22.15 51.11 77.34 -21.94 49.83 77.89 3 0 8.97 -999 ? CH3 ACT A 202 >HIS.B 141 -16.42 43.62 79.59 -14.76 44.89 79.44 -15.59 44.26 79.51 3 0 15.94 -999 ? CH3 ACT A 202 >TRP.B 142 -21.52 44.96 85.54 -21.40 47.93 82.96 -21.46 46.44 84.25 3 0 12.90 -999 ? OXT ACT B 201 >PRO.B 143 -19.51 39.82 87.24 -20.97 40.92 85.98 -20.24 40.37 86.61 3 0 18.20 -999 ? OXT ACT B 201 >LEU.B 144 -26.37 41.09 85.96 -27.47 41.10 84.11 -26.92 41.09 85.04 3 0 13.62 -999 ? OXT ACT B 201 >GLY.B 145 -25.17 44.53 88.88 -24.74 44.79 88.19 -24.96 44.66 88.54 1 0 13.34 -999 ? OXT ACT B 201 >ARG.B 146 -21.21 49.21 92.90 -18.50 50.59 92.50 -19.86 49.90 92.70 2 0 16.58 -999 ? CH3 ACT B 201 >ARG.B 147 -19.28 50.88 84.48 -18.42 53.72 85.30 -18.85 52.30 84.89 2 0 12.52 -999 ? CH3 ACT A 202 >PRO.B 148 -16.98 45.48 87.59 -17.40 47.53 88.35 -17.19 46.51 87.97 3 0 17.12 -999 ? CH3 ACT B 201 >ASP.B 149 -13.67 50.22 91.33 -14.75 50.15 93.16 -14.21 50.18 92.24 2 0 20.03 -999 ? CH3 ACT B 201 >ASP.B 150 -10.73 49.15 87.46 -11.06 47.07 87.30 -10.90 48.11 87.38 2 0 20.21 -999 ? CH3 ACT A 202 >HIS.B 151 -16.30 48.49 82.95 -17.03 48.20 81.01 -16.67 48.34 81.98 3 0 13.45 -999 ? CH3 ACT A 202 >PRO.B 152 -13.52 50.58 80.22 -13.74 51.61 82.18 -13.63 51.09 81.20 3 0 12.80 -999 ? CH3 ACT A 202 >GLY~B 153 -16.29 55.07 81.81 -15.94 54.76 81.13 -16.12 54.91 81.47 1 0 9.95 -999 ? CH3 ACT A 202 >LEU~B 154 -19.73 57.21 79.21 -21.60 57.21 78.13 -20.67 57.21 78.67 3 0 4.88 -999 ? CH3 ACT A 202 >SER~B 155 -15.94 58.44 77.26 -16.71 60.70 77.77 -16.32 59.57 77.52 2 0 6.88 -999 ? CH3 ACT A 202 >GLU~B 156 -12.52 56.39 79.83 -10.80 57.54 79.39 -11.66 56.96 79.61 2 0 12.19 -999 ? CH3 ACT A 202 >LEU~B 157 -16.33 52.49 75.80 -16.48 51.26 77.56 -16.40 51.88 76.68 3 0 8.47 -999 ? CH3 ACT A 202 >GLY.B 158 -14.69 54.85 71.91 -15.35 54.62 72.30 -15.02 54.74 72.10 1 0 7.47 -999 ? OXT ACT A 202 >LEU.B 159 -19.45 55.25 72.67 -20.26 53.66 73.89 -19.86 54.45 73.28 3 0 -3.96 -999 ? CH3 ACT A 202s >GLU.B 160 -17.96 60.58 68.89 -19.86 60.60 67.97 -18.91 60.59 68.43 2 0 4.71 -999 ? OXT ACT A 202 >ALA.C 5 -19.00 40.33 36.98 -17.82 39.50 36.48 -18.41 39.91 36.73 2 0 26.42 -999 ? CH3 ACT C 201 >GLN.C 6 -23.06 40.55 40.58 -23.83 40.90 42.54 -23.45 40.73 41.56 2 0 18.14 -999 ? CH3 ACT C 201 >VAL.C 7 -24.90 37.49 37.41 -24.76 36.42 35.52 -24.83 36.95 36.47 3 0 22.53 -999 ? CH3 ACT C 201 >ARG.C 8 -27.18 40.10 42.21 -27.55 39.63 45.22 -27.37 39.87 43.71 2 0 14.74 -999 ? CH3 ACT C 201 >PRO.C 9 -29.92 33.62 38.51 -30.40 35.78 38.27 -30.16 34.70 38.39 3 0 19.86 -999 ? CH3 ACT C 201 >PRO.C 10 -35.65 35.29 38.54 -33.64 35.89 37.85 -34.65 35.59 38.20 3 0 17.95 -999 ? CH3 ACT C 201 >LEU.C 11 -31.33 37.34 33.39 -29.35 36.88 34.13 -30.34 37.11 33.76 3 0 21.65 -999 ? CH3 ACT C 201 >PRO.C 12 -32.83 41.85 32.29 -34.03 39.98 32.44 -33.43 40.91 32.37 3 0 20.24 -999 ? CH3 ACT C 201 >PRO.C 13 -36.61 39.35 27.82 -35.99 40.04 29.83 -36.30 39.69 28.83 3 0 23.45 -999 ? CH3 ACT C 201 >PHE.C 14 -38.16 40.21 34.58 -35.88 41.24 35.84 -37.02 40.73 35.21 3 0 17.12 -999 ? CH3 ACT C 201 >THR~C 15 -42.08 36.63 32.38 -41.24 34.66 32.12 -41.66 35.65 32.25 2 0 22.98 -999 ? CH3 ACT C 201 >ARG~C 16 -48.56 36.19 35.88 -49.41 34.92 38.55 -48.99 35.55 37.22 2 0 20.89 -999 ? CH3 ACT C 201 >GLU~C 17 -44.57 31.78 35.88 -45.60 32.67 34.25 -45.08 32.22 35.06 2 0 23.53 -999 ? CH3 ACT C 201 >SER~C 18 -39.67 35.11 36.68 -39.03 36.29 34.63 -39.35 35.70 35.65 2 0 19.83 -999 ? CH3 ACT C 201 >ALA~C 19 -40.82 38.56 37.82 -41.88 39.43 37.15 -41.35 38.99 37.48 2 0 16.34 -999 ? CH3 ACT C 201 >ILE~C 20 -43.74 35.96 40.74 -45.08 35.54 41.04 -44.41 35.75 40.89 3 0 16.72 -999 ? CH3 ACT C 201 >GLU~C 21 -37.51 33.35 41.29 -36.60 32.00 39.94 -37.06 32.68 40.62 2 0 19.29 -999 ? CH3 ACT C 201 >LYS~C 22 -37.27 38.20 41.22 -32.34 39.66 39.29 -34.81 38.93 40.26 2 0 15.34 -999 ? CH3 ACT C 201 >ILE~C 23 -41.06 40.29 43.42 -42.15 41.15 43.17 -41.61 40.72 43.30 3 0 10.79 -999 ? CH3 ACT C 201 >ARG~C 24 -40.53 35.15 48.39 -41.31 34.14 51.19 -40.92 34.65 49.79 2 0 14.09 -999 ? CH3 ACT C 201 >LEU~C 25 -34.79 36.68 45.03 -34.22 34.69 44.41 -34.50 35.68 44.72 3 0 14.17 -999 ? CH3 ACT C 201 >ALA~C 26 -35.58 40.78 46.69 -36.15 41.81 45.72 -35.86 41.30 46.21 2 0 8.20 -999 ? CH3 ACT C 201 >GLU~C 27 -40.23 39.97 50.79 -41.89 38.66 50.83 -41.06 39.31 50.81 2 0 9.88 -999 ? CH3 ACT C 201 >ASP~C 28 -35.43 36.60 50.52 -37.00 35.22 50.19 -36.21 35.91 50.35 2 0 12.80 -999 ? CH3 ACT C 201 >GLY~C 29 -32.89 40.21 50.79 -33.62 40.36 51.16 -33.26 40.28 50.97 1 0 9.51 -999 ? CH3 ACT C 201 >TRP~C 30 -34.65 44.47 49.46 -34.53 48.36 50.06 -34.59 46.42 49.76 3 0 -4.24 -999 ? CH3 ACT C 201s >ASN~C 31 -36.93 39.85 55.08 -38.97 40.48 55.12 -37.95 40.17 55.10 2 0 8.68 -999 ? CH3 ACT C 201 >SER.C 32 -32.31 40.22 56.18 -30.64 40.82 54.50 -31.48 40.52 55.34 2 0 11.23 -999 ? CH3 ACT C 201 >ARG.C 33 -34.58 43.27 59.73 -33.36 40.62 60.70 -33.97 41.94 60.22 2 0 12.41 -999 ? O ACT C 201 >ASP~C 34 -27.83 42.08 55.68 -25.73 41.87 55.54 -26.78 41.97 55.61 2 0 14.66 -999 ? O ACT C 201 >PRO~C 35 -27.32 47.78 56.15 -27.31 46.16 54.62 -27.31 46.97 55.38 3 0 11.46 -999 ? O ACT C 201 >GLU~C 36 -22.00 43.42 52.41 -21.02 44.62 50.95 -21.51 44.02 51.68 2 0 15.95 -999 ? O2 EDO A 302 >ARG~C 37 -28.52 38.86 52.29 -30.70 36.70 52.27 -29.61 37.78 52.28 2 0 13.73 -999 ? CH3 ACT C 201 >VAL~C 38 -28.98 44.01 49.95 -30.81 44.83 50.84 -29.89 44.42 50.40 3 0 9.25 -999 ? CH3 ACT C 201 >SER~C 39 -26.65 46.46 48.19 -24.39 46.43 49.12 -25.52 46.45 48.66 2 0 14.22 -999 ? CH3 ACT C 201 >LEU~C 40 -24.56 42.40 46.55 -22.60 42.30 47.48 -23.58 42.35 47.02 3 0 16.30 -999 ? CH3 ACT C 201 >ALA.C 41 -28.41 43.41 44.10 -29.77 43.16 44.76 -29.09 43.28 44.43 2 0 11.54 -999 ? CH3 ACT C 201 >TYR^C 42 -29.49 47.84 44.30 -31.93 47.16 45.50 -30.71 47.50 44.90 3 0 9.67 -999 ? CH3 ACT C 201 >THR^C 43 -25.42 48.08 40.00 -26.53 48.88 38.33 -25.97 48.48 39.17 2 0 17.19 -999 ? CH3 ACT C 201 >LEU^C 44 -20.86 49.72 40.61 -19.27 48.71 41.67 -20.06 49.21 41.14 3 0 20.70 -999 ? OXT ACT C 201 >ASP^C 45 -23.26 53.52 38.24 -24.05 52.31 36.68 -23.65 52.91 37.46 2 0 20.17 -999 ? OXT ACT C 201 >THR^C 46 -27.30 52.39 40.74 -28.28 51.51 42.48 -27.79 51.95 41.61 2 0 13.10 -999 ? OXT ACT C 201 >GLN^C 47 -28.71 56.50 38.57 -27.41 57.79 39.66 -28.06 57.14 39.11 2 0 17.31 -999 ? OXT ACT C 201 >TRP^C 48 -30.92 52.82 43.89 -31.53 51.16 47.40 -31.22 51.99 45.64 3 0 8.95 -999 ? OXT ACT C 201 >ARG^C 49 -37.64 60.68 44.02 -39.72 58.44 44.33 -38.68 59.56 44.18 2 0 10.47 -999 ? OXT ACT C 201 >ASN^C 50 -35.45 55.77 48.86 -36.44 54.81 50.47 -35.94 55.29 49.66 2 0 4.97 -999 ? OXT ACT C 201 >ARG.C 51 -39.28 57.54 52.97 -41.40 56.18 54.75 -40.34 56.86 53.86 2 0 6.22 -999 ? O2 EDO A 301 >ALA.C 52 -37.45 62.38 49.17 -37.97 63.55 50.01 -37.71 62.97 49.59 2 0 12.19 -999 ? C2 EDO A 301 >GLU^C 53 -32.08 60.14 50.84 -31.64 58.95 52.54 -31.86 59.55 51.69 2 0 11.18 -999 ? OXT ACT C 201 >PHE^C 54 -32.62 62.02 44.82 -34.97 63.26 43.94 -33.80 62.64 44.38 3 0 14.66 -999 ? OXT ACT C 201 >ALA^C 55 -28.67 57.83 45.93 -28.88 56.47 46.57 -28.77 57.15 46.25 2 0 12.11 -999 ? OXT ACT C 201 >HIS.C 56 -26.71 60.26 42.75 -28.06 61.81 43.18 -27.38 61.03 42.96 3 0 17.26 -999 ? OXT ACT C 201 >ASN~C 57 -22.76 55.02 43.39 -22.13 56.21 45.03 -22.44 55.62 44.21 2 0 18.23 -999 ? OXT ACT C 201 >ARG~C 58 -22.97 47.67 45.60 -22.11 45.78 43.37 -22.54 46.72 44.49 2 0 18.03 -999 ? CH3 ACT C 201 >GLU~C 59 -20.25 53.72 49.66 -20.40 52.10 51.04 -20.33 52.91 50.35 2 0 13.48 -999 ? O2 EDO A 302 >GLU~C 60 -23.89 57.63 47.43 -24.47 59.50 46.62 -24.18 58.57 47.02 2 0 17.22 -999 ? OXT ACT C 201 >ALA~C 61 -27.55 53.08 48.63 -27.85 52.13 47.47 -27.70 52.60 48.05 2 0 11.19 -999 ? OXT ACT C 201 >LYS~C 62 -25.76 50.99 51.27 -20.80 47.54 53.29 -23.28 49.27 52.28 2 0 12.50 -999 ? O2 EDO A 302 >ALA~C 63 -25.32 54.06 53.50 -24.62 55.35 53.10 -24.97 54.70 53.30 2 0 11.78 -999 ? O2 EDO A 302 >PHE~C 64 -31.32 54.61 52.00 -34.04 54.10 52.45 -32.68 54.35 52.22 3 0 7.20 -999 ? OXT ACT C 201 >LEU~C 65 -29.44 49.85 53.35 -30.46 49.07 51.60 -29.95 49.46 52.47 3 0 8.41 -999 ? O ACT C 201 >THR~C 66 -27.55 51.38 57.17 -25.41 51.36 57.47 -26.48 51.37 57.32 2 0 7.92 -999 ? O2 EDO A 302 >ARG~C 67 -28.66 58.05 57.15 -27.52 58.08 54.30 -28.09 58.07 55.72 2 0 12.50 -999 ? O2 EDO A 302 >LYS~C 68 -32.77 52.69 57.49 -37.10 50.68 54.61 -34.94 51.69 56.05 2 0 -2.77 -999 ? O ACT C 201s >TRP~C 69 -34.18 47.68 58.31 -32.60 46.63 54.87 -33.39 47.15 56.59 3 0 6.41 -999 ? O ACT C 201 >ALA~C 70 -30.85 51.65 62.62 -29.67 52.60 62.50 -30.26 52.12 62.56 2 0 7.91 -999 ? O2 EDO A 302 >LYS~C 71 -34.21 53.47 62.64 -37.24 57.55 64.61 -35.72 55.51 63.62 2 0 4.19 -999 ? C1 EDO A 301 >GLU~C 72 -37.42 52.13 59.26 -38.02 51.91 57.25 -37.72 52.02 58.26 2 0 5.32 -999 ? O ACT C 201 >LEU^C 73 -36.65 48.81 65.70 -35.04 50.07 66.44 -35.85 49.44 66.07 3 0 11.22 -999 ? C1 EDO A 301 >ASP^C 74 -39.15 44.77 65.21 -38.14 44.24 67.00 -38.65 44.50 66.10 2 0 14.86 -999 ? O ACT C 201 >TYR^C 75 -37.81 46.19 57.99 -37.99 46.43 55.20 -37.90 46.31 56.59 3 0 -4.54 -999 ? O ACT C 201s >ARG^C 76 -42.25 40.39 61.14 -41.06 40.24 63.98 -41.65 40.31 62.56 2 0 14.32 -999 ? O ACT C 201 >LEU^C 77 -40.40 43.73 53.92 -40.17 44.61 51.97 -40.28 44.17 52.95 3 0 4.76 -999 ? CH3 ACT C 201 >ILE^C 78 -45.32 41.28 52.44 -46.28 40.16 52.74 -45.80 40.72 52.59 3 0 10.47 -999 ? CH3 ACT C 201 >LYS^C 79 -43.47 42.54 48.33 -38.69 45.48 48.28 -41.08 44.01 48.30 2 0 -3.44 -999 ? CH3 ACT C 201s >GLU^C 80 -48.24 40.72 45.31 -50.16 40.73 46.15 -49.20 40.73 45.73 2 0 14.47 -999 ? CH3 ACT C 201 >LEU^C 81 -45.86 40.80 40.73 -45.61 40.81 38.58 -45.74 40.80 39.65 3 0 15.01 -999 ? CH3 ACT C 201 >TRP^C 82 -49.41 47.73 38.89 -52.68 46.73 40.85 -51.05 47.23 39.87 3 0 14.73 -999 ? O ACT D 201 >ALA^C 83 -46.94 44.62 36.49 -47.62 45.79 35.79 -47.28 45.20 36.14 2 0 17.61 -999 ? CH3 ACT C 201 >PHE^C 84 -43.84 41.52 34.02 -45.03 39.44 32.58 -44.43 40.48 33.30 3 0 19.83 -999 ? CH3 ACT C 201 >THR^C 85 -42.53 44.93 30.94 -43.76 46.38 29.94 -43.14 45.65 30.44 2 0 21.04 -999 ? CH3 ACT D 201 >ASP.C 86 -38.79 45.04 28.56 -40.00 45.30 26.84 -39.40 45.17 27.70 2 0 24.03 -999 ? CH3 ACT C 201 >ASN.C 87 -35.14 45.16 31.53 -35.06 47.21 30.96 -35.10 46.18 31.25 2 0 20.02 -999 ? CH3 ACT C 201 >ARG^C 88 -39.31 50.22 32.74 -39.14 52.99 31.45 -39.23 51.61 32.09 2 0 18.42 -999 ? CH3 ACT D 201 >ILE^C 89 -40.34 44.39 38.06 -40.23 42.96 38.44 -40.29 43.68 38.25 3 0 13.26 -999 ? CH3 ACT C 201 >ALA^C 90 -43.56 47.44 39.16 -44.76 48.04 38.47 -44.16 47.74 38.82 2 0 13.74 -999 ? CH3 ACT C 201 >VAL^C 91 -43.88 46.23 42.76 -42.26 44.95 43.49 -43.07 45.59 43.13 3 0 9.16 -999 ? CH3 ACT C 201 >ARG^C 92 -49.94 47.28 44.16 -51.45 46.27 46.66 -50.69 46.77 45.41 2 0 13.71 -999 ? CH3 ACT C 201 >TYR^C 93 -43.00 47.58 49.22 -41.38 49.87 49.22 -42.19 48.72 49.22 3 0 -4.09 -999 ? CH3 ACT C 201s >ALA^C 94 -45.79 46.91 52.91 -47.22 46.56 53.32 -46.50 46.74 53.11 2 0 9.20 -999 ? O ACT C 201 >TYR^C 95 -41.63 48.44 55.51 -40.56 51.04 55.32 -41.09 49.74 55.42 3 0 -3.84 -999 ? O ACT C 201s >GLU^C 96 -46.59 45.81 59.59 -47.94 44.44 60.43 -47.27 45.13 60.01 2 0 13.00 -999 ? O ACT C 201 >TRP^C 97 -42.17 50.30 59.58 -40.82 53.66 61.13 -41.50 51.98 60.35 3 0 -5.77 -999 ? O2 EDO A 301s >HIS^C 98 -40.81 49.03 67.16 -39.15 48.14 68.10 -39.98 48.58 67.63 3 0 11.61 -999 ? O2 EDO A 301 >ASP.C 99 -39.68 54.89 65.92 -41.28 55.63 67.10 -40.48 55.26 66.51 2 0 5.79 -999 ? O1 EDO A 301 >ASP.C 100 -35.91 53.92 69.56 -35.19 55.74 68.76 -35.55 54.83 69.16 2 0 9.05 -999 ? C1 EDO A 301 >SER.C 101 -40.26 55.74 71.04 -39.54 57.94 70.33 -39.90 56.84 70.68 2 0 7.85 -999 ? O1 EDO A 301 >GLY.C 102 -42.58 52.75 70.90 -42.60 53.28 70.31 -42.59 53.01 70.61 1 0 10.66 -999 ? O1 EDO A 301 >ASN.C 103 -44.48 55.23 67.22 -44.54 56.80 68.65 -44.51 56.02 67.94 2 0 7.35 -999 ? O1 EDO A 301 >TRP^C 104 -45.60 48.75 68.07 -43.56 46.02 66.09 -44.58 47.38 67.08 3 0 12.40 -999 ? O2 EDO A 301 >PHE^C 105 -44.99 53.92 62.00 -44.50 56.25 63.46 -44.75 55.09 62.73 3 0 4.31 -999 ? O2 EDO A 301 >ARG^C 106 -49.78 47.48 57.01 -51.73 47.13 59.31 -50.76 47.30 58.16 2 0 14.47 -999 ? O2 EDO A 301 >SER^C 107 -45.59 51.52 55.69 -43.69 52.48 56.86 -44.64 52.00 56.28 2 0 6.74 -999 ? O2 EDO A 301 >TYR^C 108 -49.57 50.97 53.11 -51.32 50.02 55.06 -50.45 50.50 54.09 3 0 12.28 -999 ? O ACT C 201 >GLY^C 109 -44.99 51.38 49.22 -45.52 50.84 49.05 -45.25 51.11 49.13 1 0 6.86 -999 ? OXT ACT C 201 >ASN^C 110 -45.77 52.18 44.66 -47.80 51.56 44.77 -46.78 51.87 44.72 2 0 10.92 -999 ? O ACT D 201 >GLU^C 111 -40.57 48.44 44.93 -39.46 47.54 46.50 -40.02 47.99 45.71 2 0 4.32 -999 ? CH3 ACT C 201 >ASN^C 112 -41.01 51.77 39.43 -43.15 51.81 39.53 -42.08 51.79 39.48 2 0 12.25 -999 ? OXT ACT C 201 >TRP^C 113 -37.66 48.04 42.18 -38.30 44.33 43.32 -37.98 46.18 42.75 3 0 8.13 -999 ? CH3 ACT C 201 >GLU^C 114 -34.62 49.81 33.93 -34.65 51.69 32.98 -34.64 50.75 33.46 2 0 18.18 -999 ? OXT ACT C 201 >PHE^C 115 -33.76 44.24 37.19 -35.14 43.97 39.60 -34.45 44.10 38.40 3 0 13.47 -999 ? CH3 ACT C 201 >ASP.C 116 -28.04 45.85 33.79 -27.08 44.69 35.29 -27.56 45.27 34.54 2 0 19.40 -999 ? CH3 ACT C 201 >GLU.C 117 -28.65 43.01 29.05 -27.69 42.85 27.18 -28.17 42.93 28.12 2 0 26.34 -999 ? CH3 ACT C 201 >GLN.C 118 -24.41 41.14 33.87 -24.68 42.52 32.27 -24.55 41.83 33.07 2 0 23.62 -999 ? CH3 ACT C 201 >GLY.C 119 -29.92 40.95 36.71 -29.36 41.52 36.74 -29.64 41.23 36.72 1 0 17.79 -999 ? CH3 ACT C 201 >LEU.C 120 -27.17 44.35 38.78 -25.60 43.27 39.79 -26.39 43.81 39.28 3 0 17.09 -999 ? CH3 ACT C 201 >MET?C 121 -30.93 46.80 39.41 -34.36 48.07 41.66 -32.65 47.43 40.54 2 0 9.90 -999 ? CH3 ACT C 201 >ALA.C 122 -29.78 49.99 37.71 -29.62 50.07 36.19 -29.70 50.03 36.95 2 0 16.96 -999 ? OXT ACT C 201 >ARG.C 123 -33.35 53.49 35.15 -35.34 55.60 34.14 -34.34 54.55 34.65 2 0 17.68 -999 ? OXT ACT C 201 >ARG.C 124 -34.72 50.67 45.47 -36.40 51.18 47.99 -35.56 50.93 46.73 2 0 -3.50 -999 ? OXT ACT C 201s >PHE.C 125 -37.61 55.67 40.06 -35.81 56.68 38.17 -36.71 56.17 39.11 3 0 13.13 -999 ? OXT ACT C 201 >ALA.C 126 -39.67 53.99 45.62 -38.91 53.15 46.65 -39.29 53.57 46.14 2 0 5.02 -999 ? OXT ACT C 201 >CYH.C 127 -42.49 55.99 47.19 -42.84 57.56 44.90 -42.67 56.78 46.05 2 0 10.01 -999 ? O ACT D 201 >ILE.C 128 -42.42 54.45 51.49 -41.54 53.40 51.85 -41.98 53.93 51.67 3 0 -5.23 -999 ? OXT ACT C 201s >ASN.C 129 -47.56 56.76 52.53 -47.22 58.18 50.99 -47.39 57.47 51.76 2 0 9.72 -999 ? O ACT D 201 >ASP.C 130 -45.39 56.07 57.68 -43.60 56.21 56.54 -44.49 56.14 57.11 2 0 4.74 -999 ? O2 EDO A 301 >MET?C 131 -49.64 54.70 58.88 -53.43 52.92 57.91 -51.54 53.81 58.39 2 0 12.74 -999 ? O2 EDO A 301 >PRO.C 132 -49.37 56.96 62.56 -49.54 54.81 62.00 -49.45 55.89 62.28 3 0 7.85 -999 ? O2 EDO A 301 >ILE.C 133 -50.65 50.07 63.21 -50.00 49.30 62.22 -50.32 49.69 62.71 3 0 11.75 -999 ? O2 EDO A 301 >LYS~C 134 -51.34 49.79 67.51 -53.85 50.99 71.42 -52.59 50.39 69.46 2 0 17.33 -999 ? O2 EDO A 301 >ALA~C 135 -49.12 46.81 68.31 -48.42 46.56 69.64 -48.77 46.68 68.98 2 0 15.67 -999 ? O2 EDO A 301 >GLN~C 136 -54.02 45.96 69.33 -53.29 47.10 70.97 -53.65 46.53 70.15 2 0 18.58 -999 ? O2 EDO A 301 >GLU~C 137 -54.51 47.57 65.07 -55.01 49.56 64.57 -54.76 48.57 64.82 2 0 15.84 -999 ? O2 EDO A 301 >ARG~C 138 -46.75 44.46 65.88 -44.64 42.30 66.40 -45.70 43.38 66.14 2 0 16.31 -999 ? O ACT C 201 >LYS.C 139 -50.26 41.49 60.64 -55.14 42.95 58.84 -52.70 42.22 59.74 2 0 18.79 -999 ? O ACT C 201 >PHE.C 140 -46.25 41.88 58.15 -47.27 43.20 55.89 -46.76 42.54 57.02 3 0 11.33 -999 ? O ACT C 201 >HIS.C 141 -47.33 38.55 64.23 -48.23 40.22 65.13 -47.78 39.39 64.68 3 0 17.85 -999 ? O ACT C 201 >TRP.C 142 -40.60 36.63 58.98 -43.29 38.84 57.12 -41.95 37.74 58.05 3 0 12.80 -999 ? O ACT C 201 >PRO.C 143 -39.62 32.76 63.02 -39.80 34.93 62.60 -39.71 33.84 62.81 3 0 18.07 -999 ? O ACT C 201 >LEU.C 144 -36.35 39.10 62.73 -37.03 40.99 63.51 -36.69 40.04 63.12 3 0 13.62 -999 ? O ACT C 201 >GLY.C 145 -35.71 37.24 58.49 -36.57 37.39 58.47 -36.14 37.32 58.48 1 0 13.18 -999 ? O ACT C 201 >ARG.C 146 -36.58 32.85 52.68 -38.87 31.31 51.32 -37.73 32.08 52.00 2 0 16.63 -999 ? CH3 ACT C 201 >ARG.C 147 -44.23 36.97 53.78 -44.90 36.38 50.84 -44.56 36.67 52.31 2 0 13.23 -999 ? CH3 ACT C 201 >PRO.C 148 -42.08 32.03 57.81 -41.90 32.42 55.63 -41.99 32.22 56.72 3 0 17.19 -999 ? CH3 ACT C 201 >ASP.C 149 -42.93 29.00 51.56 -40.94 29.30 50.94 -41.94 29.15 51.25 2 0 18.79 -999 ? CH3 ACT C 201 >ASP.C 150 -46.61 28.46 55.57 -45.54 29.27 57.21 -46.08 28.87 56.39 2 0 20.99 -999 ? CH3 ACT C 201 >HIS.C 151 -46.81 35.18 56.40 -47.74 36.88 57.21 -47.27 36.03 56.80 3 0 16.03 -999 ? CH3 ACT C 201 >PRO.C 152 -51.38 34.19 54.95 -49.60 34.51 53.65 -50.49 34.35 54.30 3 0 18.51 -999 ? CH3 ACT C 201 >GLY~C 153 -49.04 37.35 50.46 -49.67 37.47 50.95 -49.36 37.41 50.70 1 0 14.97 -999 ? CH3 ACT C 201 >LEU~C 154 -48.99 42.06 49.32 -48.47 44.12 49.71 -48.73 43.09 49.51 3 0 11.42 -999 ? CH3 ACT C 201 >SER~C 155 -53.12 40.76 48.56 -52.79 41.59 46.30 -52.96 41.17 47.43 2 0 16.28 -999 ? CH3 ACT C 201 >GLU~C 156 -53.30 36.17 49.35 -52.27 34.34 49.18 -52.78 35.26 49.26 2 0 19.44 -999 ? CH3 ACT C 201 >LEU~C 157 -52.51 40.47 54.60 -50.95 39.18 55.35 -51.73 39.82 54.97 3 0 16.14 -999 ? CH3 ACT C 201 >GLY.C 158 -56.88 42.22 53.54 -56.09 42.41 53.65 -56.49 42.32 53.60 1 0 19.51 -999 ? CH3 ACT C 201 >LEU.C 159 -53.17 45.29 52.89 -51.26 45.34 53.90 -52.22 45.31 53.40 3 0 14.28 -999 ? CH3 ACT C 201 >ASN.D 4 -75.78 53.94 27.05 -76.38 51.89 27.07 -76.08 52.92 27.06 2 0 30.09 -999 ? CH3 ACT D 201 >ALA.D 5 -73.06 52.44 29.79 -72.76 51.05 29.21 -72.91 51.75 29.50 2 0 26.54 -999 ? CH3 ACT D 201 >GLN.D 6 -69.65 55.95 33.14 -68.54 56.21 34.94 -69.10 56.08 34.04 2 0 18.81 -999 ? CH3 ACT D 201 >VAL.D 7 -67.15 53.40 28.99 -67.36 51.82 27.50 -67.26 52.61 28.24 3 0 22.24 -999 ? CH3 ACT D 201 >ARG.D 8 -64.40 57.42 32.12 -63.44 60.33 32.35 -63.92 58.88 32.24 2 0 14.56 -999 ? CH3 ACT D 201 >PRO.D 9 -62.57 55.41 24.74 -61.89 54.45 26.62 -62.23 54.93 25.68 3 0 19.90 -999 ? CH3 ACT D 201 >PRO.D 10 -56.71 54.56 25.58 -58.72 53.80 26.15 -57.71 54.18 25.87 3 0 18.12 -999 ? CH3 ACT D 201 >LEU.D 11 -61.04 49.13 26.58 -63.00 50.03 26.51 -62.02 49.58 26.54 3 0 21.80 -999 ? CH3 ACT D 201 >PRO.D 12 -59.18 46.59 30.18 -58.18 47.30 28.33 -58.68 46.94 29.26 3 0 20.55 -999 ? CH3 ACT D 201 >PRO.D 13 -55.99 43.19 25.76 -56.41 44.79 27.24 -56.20 43.99 26.50 3 0 23.80 -999 ? CH3 ACT D 201 >PHE.D 14 -54.04 49.25 28.81 -56.13 50.24 30.39 -55.09 49.74 29.60 3 0 17.30 -999 ? CH3 ACT D 201 >THR~D 15 -50.62 48.08 24.29 -51.63 48.51 22.43 -51.13 48.29 23.36 2 0 23.13 -999 ? CH3 ACT D 201 >ARG~D 16 -43.87 51.07 24.49 -42.60 51.26 27.28 -43.24 51.16 25.89 2 0 19.88 -999 ? CH3 ACT D 201 >GLU~D 17 -50.49 54.35 20.83 -50.89 54.35 18.75 -50.69 54.35 19.79 2 0 23.59 -999 ? CH3 ACT D 201 >SER~D 18 -52.79 52.80 24.41 -53.57 50.53 24.92 -53.18 51.66 24.66 2 0 20.00 -999 ? CH3 ACT D 201 >ALA~D 19 -51.23 52.67 27.89 -50.15 51.69 28.35 -50.69 52.18 28.12 2 0 16.59 -999 ? CH3 ACT D 201 >ILE~D 20 -48.30 56.16 26.15 -46.95 56.52 25.76 -47.63 56.34 25.96 3 0 16.67 -999 ? CH3 ACT D 201 >GLU~D 21 -52.88 57.10 23.42 -54.02 56.21 21.88 -53.45 56.66 22.65 2 0 20.13 -999 ? CH3 ACT D 201 >LYS~D 22 -54.47 56.23 29.06 -59.33 54.04 30.24 -56.90 55.14 29.65 2 0 15.49 -999 ? CH3 ACT D 201 >ILE~D 23 -50.35 57.53 31.26 -49.21 56.97 31.86 -49.78 57.25 31.56 3 0 10.87 -999 ? CH3 ACT D 201 >ARG~D 24 -50.90 63.83 27.93 -49.90 66.74 27.73 -50.40 65.29 27.83 2 0 13.98 -999 ? CH3 ACT D 201 >LEU~D 25 -56.77 60.39 28.97 -57.42 60.38 26.91 -57.09 60.38 27.94 3 0 14.13 -999 ? CH3 ACT D 201 >ALA~D 26 -55.52 60.76 33.28 -54.94 59.51 33.93 -55.23 60.14 33.60 2 0 8.16 -999 ? CH3 ACT D 201 >GLU~D 27 -50.66 64.65 33.24 -49.08 64.98 31.89 -49.87 64.82 32.57 2 0 9.75 -999 ? CH3 ACT D 201 >ASP~D 28 -55.65 65.73 30.36 -54.18 65.67 28.83 -54.91 65.70 29.60 2 0 12.70 -999 ? CH3 ACT D 201 >GLY~D 29 -57.91 65.08 34.12 -57.15 65.32 34.32 -57.53 65.20 34.22 1 0 9.48 -999 ? CH3 ACT D 201 >TRP~D 30 -55.89 62.34 37.62 -55.77 61.79 41.52 -55.83 62.07 39.57 3 0 -4.23 -999 ? CH3 ACT D 201s >ASN~D 31 -53.58 68.96 34.68 -51.50 68.66 35.10 -52.54 68.81 34.89 2 0 8.51 -999 ? CH3 ACT D 201 >SER.D 32 -58.03 70.18 35.81 -59.79 68.52 36.06 -58.91 69.35 35.93 2 0 11.12 -999 ? CH3 ACT D 201 >ARG.D 33 -55.21 72.58 39.53 -56.74 74.11 37.37 -55.98 73.35 38.45 2 0 12.34 -999 ? OXT ACT D 201 >ASP~D 34 -62.38 69.46 37.89 -64.50 69.55 37.91 -63.44 69.51 37.90 2 0 14.62 -999 ? OXT ACT D 201 >PRO~D 35 -62.48 68.13 43.44 -62.71 67.17 41.44 -62.60 67.65 42.44 3 0 11.43 -999 ? OXT ACT D 201 >GLU~D 36 -68.34 66.20 38.63 -69.40 64.56 39.44 -68.87 65.38 39.03 2 0 17.76 -999 ? CH3 ACT D 201 >ARG~D 37 -62.21 67.18 33.74 -60.13 67.79 31.56 -61.17 67.48 32.65 2 0 13.59 -999 ? CH3 ACT D 201 >VAL~D 38 -61.53 63.27 37.82 -59.59 63.76 38.70 -60.56 63.51 38.26 3 0 9.18 -999 ? CH3 ACT D 201 >SER~D 39 -63.83 60.97 39.81 -65.97 62.00 40.33 -64.90 61.49 40.07 2 0 14.16 -999 ? CH3 ACT D 201 >LEU~D 40 -66.28 60.79 35.61 -68.08 61.94 35.93 -67.18 61.37 35.77 3 0 16.21 -999 ? CH3 ACT D 201 >ALA.D 41 -62.65 57.84 35.58 -61.25 58.43 35.41 -61.95 58.13 35.50 2 0 11.61 -999 ? CH3 ACT D 201 >TYR^D 42 -61.35 56.68 39.82 -58.87 57.88 39.36 -60.11 57.28 39.59 3 0 9.84 -999 ? CH3 ACT D 201 >THR^D 43 -65.70 52.73 39.05 -64.63 50.86 39.25 -65.16 51.80 39.15 2 0 17.14 -999 ? O ACT D 201 >LEU^D 44 -70.05 53.21 41.16 -71.48 54.59 40.33 -70.76 53.90 40.74 3 0 20.57 -999 ? O ACT D 201 >ASP^D 45 -67.68 49.50 43.87 -67.26 48.38 42.12 -67.47 48.94 43.00 2 0 20.33 -999 ? O ACT D 201 >THR^D 46 -63.51 52.01 43.24 -62.49 53.88 42.85 -63.00 52.95 43.04 2 0 13.15 -999 ? O ACT D 201 >GLN^D 47 -62.04 48.65 46.19 -63.34 49.20 47.78 -62.69 48.93 46.98 2 0 17.53 -999 ? O ACT D 201 >TRP^D 48 -59.58 54.71 44.23 -58.78 58.51 43.62 -59.18 56.61 43.93 3 0 8.90 -999 ? O ACT D 201 >ARG^D 49 -52.37 52.11 51.12 -50.46 52.95 48.87 -51.41 52.53 50.00 2 0 10.44 -999 ? O ACT D 201 >ASN^D 50 -54.56 58.39 48.20 -53.45 60.06 47.53 -54.01 59.22 47.87 2 0 4.92 -999 ? O ACT D 201 >ARG.D 51 -49.81 61.30 50.74 -48.26 63.65 49.51 -49.03 62.48 50.13 2 0 7.60 -999 ? O ACT D 201 >ALA.D 52 -52.10 56.30 54.26 -51.39 56.64 55.56 -51.75 56.47 54.91 2 0 10.75 -999 ? O ACT A 203 >GLU^D 53 -56.60 59.52 53.75 -57.18 61.28 52.77 -56.89 60.40 53.26 2 0 10.32 -999 ? O ACT A 203 >PHE^D 54 -57.35 52.85 53.07 -55.03 51.53 53.92 -56.19 52.19 53.50 3 0 14.64 -999 ? O ACT D 201 >ALA^D 55 -61.44 55.28 49.65 -61.24 56.24 48.48 -61.34 55.76 49.07 2 0 12.06 -999 ? O ACT D 201 >HIS.D 56 -63.50 51.60 51.23 -61.99 51.43 52.67 -62.74 51.51 51.95 3 0 17.26 -999 ? O ACT D 201 >ASN~D 57 -67.77 54.18 46.88 -68.13 55.47 48.54 -67.95 54.83 47.71 2 0 18.22 -999 ? O ACT D 201 >ARG~D 58 -67.82 58.42 40.52 -68.76 57.03 37.97 -68.29 57.72 39.24 2 0 18.01 -999 ? CH3 ACT D 201 >GLU~D 59 -69.73 60.64 47.66 -70.08 62.16 46.23 -69.91 61.40 46.95 2 0 18.52 -999 ? O ACT D 201 >GLU~D 60 -66.09 57.03 50.37 -65.56 55.61 51.84 -65.82 56.32 51.10 2 0 17.31 -999 ? O ACT D 201 >ALA~D 61 -62.57 59.32 46.16 -62.47 58.52 44.86 -62.52 58.92 45.51 2 0 11.20 -999 ? O ACT D 201 >LYS~D 62 -64.21 62.59 45.12 -69.12 65.87 42.83 -66.67 64.23 43.98 2 0 17.47 -999 ? OXT ACT D 201 >ALA~D 63 -64.21 63.78 48.75 -64.86 63.06 49.92 -64.54 63.42 49.34 2 0 14.77 -999 ? O ACT D 201 >PHE~D 64 -58.34 61.83 48.37 -55.63 62.31 47.87 -56.98 62.07 48.12 3 0 7.18 -999 ? O ACT D 201 >LEU~D 65 -60.43 64.68 44.39 -59.67 63.18 43.02 -60.05 63.93 43.70 3 0 8.39 -999 ? OXT ACT D 201 >THR~D 66 -61.81 67.96 47.14 -63.91 68.43 47.37 -62.86 68.20 47.25 2 0 13.80 -999 ? OXT ACT D 201 >ARG~D 67 -60.60 65.68 53.30 -61.45 62.86 52.44 -61.03 64.27 52.87 2 0 13.15 -999 ? O ACT A 203 >LYS~D 68 -56.56 67.44 48.13 -52.71 65.23 44.87 -54.64 66.34 46.50 2 0 -2.80 -999 ? OXT ACT D 201s >TRP~D 69 -55.42 69.82 43.51 -57.48 67.10 41.55 -56.45 68.46 42.53 3 0 6.43 -999 ? OXT ACT D 201 >ALA~D 70 -58.06 72.66 49.03 -59.13 72.22 50.02 -58.59 72.44 49.52 2 0 11.28 -999 ? CH3 ACT A 203 >LYS~D 71 -54.54 71.95 50.35 -50.70 67.51 52.69 -52.62 69.73 51.52 2 0 -3.20 -999 ? CH3 ACT A 203s >GLU~D 72 -51.77 69.18 47.61 -51.44 67.29 46.71 -51.61 68.23 47.16 2 0 5.29 -999 ? OXT ACT D 201 >LEU^D 73 -52.49 76.30 46.34 -53.95 76.66 47.89 -53.22 76.48 47.12 3 0 11.88 -999 ? CH3 ACT A 203 >ASP^D 74 -50.30 76.97 42.14 -51.14 78.91 42.11 -50.72 77.94 42.12 2 0 14.85 -999 ? OXT ACT D 201 >TYR^D 75 -52.06 69.71 41.47 -52.08 66.98 40.85 -52.07 68.35 41.16 3 0 -4.49 -999 ? OXT ACT D 201s >ARG^D 76 -47.81 74.29 36.53 -48.87 77.02 37.43 -48.34 75.66 36.98 2 0 14.20 -999 ? OXT ACT D 201 >LEU^D 77 -49.96 66.51 37.71 -50.27 64.38 38.00 -50.11 65.44 37.85 3 0 4.61 -999 ? CH3 ACT D 201 >ILE^D 78 -45.27 65.61 34.60 -44.31 66.18 33.61 -44.79 65.90 34.10 3 0 10.37 -999 ? CH3 ACT D 201 >LYS^D 79 -47.37 61.41 34.65 -51.85 60.71 37.83 -49.61 61.06 36.24 2 0 -3.52 -999 ? CH3 ACT D 201s >GLU^D 80 -42.96 58.73 31.72 -40.96 59.40 31.80 -41.96 59.06 31.76 2 0 14.49 -999 ? CH3 ACT D 201 >LEU^D 81 -45.66 54.58 30.57 -46.07 52.52 30.02 -45.87 53.55 30.30 3 0 15.06 -999 ? CH3 ACT D 201 >TRP^D 82 -41.91 50.50 36.33 -38.54 52.46 35.78 -40.23 51.48 36.06 3 0 14.82 -999 ? OXT ACT C 201 >ALA^D 83 -44.75 49.33 32.86 -44.08 48.27 33.71 -44.41 48.80 33.29 2 0 17.67 -999 ? CH3 ACT D 201 >PHE^D 84 -48.20 48.22 29.39 -47.23 47.53 26.85 -47.72 47.87 28.12 3 0 19.80 -999 ? CH3 ACT D 201 >THR^D 85 -49.55 44.27 31.82 -48.24 42.86 32.81 -48.90 43.56 32.31 2 0 21.00 -999 ? CH3 ACT C 201 >ASP.D 86 -53.41 42.17 31.38 -52.32 40.44 30.82 -52.86 41.31 31.10 2 0 24.19 -999 ? CH3 ACT D 201 >ASN.D 87 -56.77 45.04 33.02 -56.64 43.87 34.78 -56.71 44.45 33.90 2 0 20.13 -999 ? CH3 ACT D 201 >ARG^D 88 -52.23 44.53 37.75 -52.43 42.56 40.08 -52.33 43.54 38.92 2 0 18.35 -999 ? CH3 ACT C 201 >ILE^D 89 -51.14 51.27 33.68 -51.31 52.07 32.43 -51.23 51.67 33.05 3 0 13.33 -999 ? CH3 ACT D 201 >ALA^D 90 -47.67 51.24 36.64 -46.49 50.32 36.92 -47.08 50.78 36.78 2 0 13.83 -999 ? CH3 ACT D 201 >VAL^D 91 -47.13 55.00 36.53 -48.76 56.17 35.61 -47.95 55.58 36.07 3 0 9.23 -999 ? CH3 ACT D 201 >ARG^D 92 -40.97 55.58 37.41 -39.40 58.23 37.46 -40.19 56.91 37.44 2 0 13.56 -999 ? CH3 ACT D 201 >TYR^D 93 -47.46 60.74 39.76 -48.96 60.10 42.05 -48.21 60.42 40.91 3 0 -4.14 -999 ? CH3 ACT D 201s >ALA^D 94 -44.41 64.30 40.02 -42.98 64.70 39.67 -43.69 64.50 39.84 2 0 9.22 -999 ? CH3 ACT D 201 >TYR^D 95 -48.26 66.56 42.41 -49.21 65.61 44.87 -48.73 66.08 43.64 3 0 -3.79 -999 ? OXT ACT D 201s >GLU^D 96 -43.29 70.99 40.99 -41.92 72.19 39.92 -42.60 71.59 40.45 2 0 13.00 -999 ? OXT ACT D 201 >TRP^D 97 -47.45 69.73 45.65 -48.25 70.38 49.44 -47.85 70.06 47.54 3 0 8.35 -999 ? CH3 ACT A 203 >HIS^D 98 -48.48 77.63 46.64 -50.12 78.90 46.30 -49.30 78.26 46.47 3 0 13.13 -999 ? CH3 ACT A 203 >ASP.D 99 -49.03 74.78 51.99 -47.35 75.78 52.80 -48.19 75.28 52.40 2 0 7.94 -999 ? CH3 ACT A 203 >ASP.D 100 -52.87 78.07 53.10 -52.52 76.84 54.77 -52.69 77.45 53.94 2 0 7.94 -999 ? OXT ACT A 203 >SER.D 101 -48.40 79.65 53.68 -48.43 78.54 55.84 -48.42 79.09 54.76 2 0 9.16 -999 ? OXT ACT A 203 >GLY.D 102 -46.87 80.08 50.24 -46.64 79.47 50.70 -46.75 79.78 50.47 1 0 12.85 -999 ? CH3 ACT A 203 >ASN.D 103 -43.97 76.72 52.03 -43.49 78.26 53.43 -43.73 77.49 52.73 2 0 11.64 -999 ? CH3 ACT A 203 >TRP^D 104 -43.40 78.09 46.19 -45.95 77.16 43.34 -44.68 77.63 44.76 3 0 14.89 -999 ? CH3 ACT A 203 >PHE^D 105 -44.21 71.05 49.68 -44.30 71.93 52.33 -44.26 71.49 51.01 3 0 7.74 -999 ? CH3 ACT A 203 >ARG^D 106 -40.22 67.90 41.60 -38.15 70.12 41.98 -39.18 69.01 41.79 2 0 14.88 -999 ? OXT ACT D 201 >SER^D 107 -44.25 65.54 45.21 -46.11 66.36 46.55 -45.18 65.95 45.88 2 0 7.30 -999 ? OXT ACT D 201 >TYR^D 108 -40.41 63.05 43.73 -38.60 65.12 43.23 -39.51 64.08 43.48 3 0 12.28 -999 ? OXT ACT D 201 >GLY^D 109 -45.26 59.49 43.22 -44.76 59.46 42.64 -45.01 59.48 42.93 1 0 6.89 -999 ? O ACT D 201 >ASN^D 110 -44.80 54.88 42.61 -42.77 55.08 41.96 -43.79 54.98 42.28 2 0 10.92 -999 ? OXT ACT C 201 >GLU^D 111 -50.16 56.56 39.52 -51.23 58.35 39.21 -50.69 57.45 39.36 2 0 4.46 -999 ? CH3 ACT D 201 >ASN^D 112 -49.94 50.30 41.07 -47.80 50.26 40.97 -48.87 50.28 41.02 2 0 12.21 -999 ? O ACT D 201 >TRP^D 113 -53.30 54.21 38.64 -52.86 56.34 35.35 -53.08 55.28 37.00 3 0 8.24 -999 ? CH3 ACT D 201 >GLU^D 114 -56.92 45.97 38.27 -56.84 44.55 39.82 -56.88 45.26 39.04 2 0 18.05 -999 ? O ACT D 201 >PHE^D 115 -57.80 50.74 33.88 -56.32 53.08 34.25 -57.06 51.91 34.07 3 0 13.59 -999 ? CH3 ACT D 201 >ASP.D 116 -63.55 47.24 34.96 -64.48 49.07 34.39 -64.01 48.15 34.67 2 0 19.52 -999 ? CH3 ACT D 201 >GLU.D 117 -63.64 43.50 30.85 -64.87 41.85 30.41 -64.25 42.68 30.63 2 0 26.53 -999 ? CH3 ACT D 201 >GLN.D 118 -67.61 48.89 30.94 -67.34 46.91 31.68 -67.48 47.90 31.31 2 0 23.80 -999 ? CH3 ACT D 201 >GLY.D 119 -61.89 51.27 30.98 -62.42 51.19 31.57 -62.15 51.23 31.28 1 0 18.01 -999 ? CH3 ACT D 201 >LEU.D 120 -64.24 52.49 35.03 -65.88 53.68 34.30 -65.06 53.09 34.67 3 0 17.36 -999 ? CH3 ACT D 201 >MET?D 121 -60.26 52.23 37.20 -56.63 53.79 38.78 -58.45 53.01 37.99 2 0 10.11 -999 ? CH3 ACT D 201 >ALA.D 122 -61.37 49.71 39.82 -61.60 48.25 39.46 -61.49 48.98 39.64 2 0 16.93 -999 ? O ACT D 201 >ARG.D 123 -58.14 46.42 43.58 -55.81 44.43 43.54 -56.97 45.42 43.56 2 0 17.60 -999 ? O ACT D 201 >ARG.D 124 -55.86 56.60 42.20 -53.99 58.76 43.32 -54.93 57.68 42.76 2 0 -3.55 -999 ? O ACT D 201s >PHE.D 125 -52.98 49.81 45.21 -54.80 47.77 45.79 -53.89 48.79 45.50 3 0 13.16 -999 ? O ACT D 201 >ALA.D 126 -50.75 55.53 45.15 -51.51 56.79 44.72 -51.13 56.16 44.94 2 0 5.05 -999 ? O ACT D 201 >CYH.D 127 -47.67 56.31 47.24 -47.42 53.67 48.08 -47.54 54.99 47.66 2 0 10.01 -999 ? OXT ACT C 201 >ILE.D 128 -47.50 60.87 46.90 -48.42 61.51 46.17 -47.96 61.19 46.54 3 0 -5.16 -999 ? O ACT D 201s >ASN.D 129 -42.23 60.94 49.15 -42.50 59.01 49.99 -42.37 59.98 49.57 2 0 9.72 -999 ? OXT ACT C 201 >ASP.D 130 -44.22 66.27 50.20 -46.22 65.66 49.92 -45.22 65.96 50.06 2 0 7.40 -999 ? CH3 ACT A 203 >MET?D 131 -39.97 67.37 49.18 -36.29 66.71 47.12 -38.13 67.04 48.15 2 0 16.14 -999 ? CH3 ACT A 203 >PRO.D 132 -39.62 70.27 52.38 -39.72 70.32 50.15 -39.67 70.29 51.26 3 0 11.20 -999 ? CH3 ACT A 203 >ILE.D 133 -38.79 72.81 45.89 -39.58 72.19 44.92 -39.19 72.50 45.41 3 0 15.21 -999 ? CH3 ACT A 203 >LYS~D 134 -37.62 76.93 46.97 -33.08 76.47 49.79 -35.35 76.70 48.38 2 0 17.34 -999 ? O ACT A 201 >ALA~D 135 -39.82 78.98 44.65 -40.33 80.39 44.94 -40.08 79.69 44.79 2 0 18.41 -999 ? CH3 ACT A 203 >GLN~D 136 -34.63 79.41 43.23 -34.21 80.38 45.07 -34.42 79.90 44.15 2 0 22.15 -999 ? CH3 ACT A 203 >GLU~D 137 -34.89 75.05 43.86 -34.35 73.81 45.48 -34.62 74.43 44.67 2 0 19.20 -999 ? CH3 ACT A 203 >ARG~D 138 -42.61 77.59 41.75 -44.95 78.80 40.20 -43.78 78.19 40.98 2 0 16.38 -999 ? OXT ACT D 201 >LYS.D 139 -39.84 73.21 37.09 -35.07 70.74 37.87 -37.45 71.97 37.48 2 0 18.54 -999 ? OXT ACT D 201 >PHE.D 140 -43.95 70.80 36.81 -42.95 68.23 37.34 -43.45 69.51 37.07 3 0 11.31 -999 ? OXT ACT D 201 >HIS.D 141 -42.77 77.11 33.23 -41.72 76.77 31.45 -42.24 76.94 32.34 3 0 18.95 -999 ? OXT ACT D 201 >TRP.D 142 -49.78 73.48 32.42 -47.22 70.87 33.88 -48.50 72.18 33.15 3 0 12.80 -999 ? OXT ACT D 201 >PRO.D 143 -50.45 78.67 30.04 -50.29 77.53 31.95 -50.37 78.10 30.99 3 0 18.20 -999 ? OXT ACT D 201 >LEU.D 144 -53.59 76.62 36.10 -52.84 76.47 38.12 -53.22 76.54 37.11 3 0 13.67 -999 ? OXT ACT D 201 >GLY.D 145 -54.58 73.10 33.20 -53.72 72.98 33.25 -54.15 73.04 33.22 1 0 13.27 -999 ? OXT ACT D 201 >ARG.D 146 -54.51 68.83 27.22 -52.30 68.02 25.26 -53.41 68.43 26.24 2 0 16.60 -999 ? CH3 ACT D 201 >ARG.D 147 -46.62 68.18 31.08 -46.22 65.54 29.55 -46.42 66.86 30.31 2 0 13.02 -999 ? CH3 ACT D 201 >PRO.D 148 -48.30 73.59 27.68 -48.88 71.46 27.33 -48.59 72.52 27.51 3 0 17.07 -999 ? CH3 ACT D 201 >ASP.D 149 -48.61 69.27 22.33 -50.68 68.95 22.00 -49.65 69.11 22.16 2 0 20.02 -999 ? CH3 ACT D 201 >ASP.D 150 -44.02 71.14 22.58 -44.47 73.01 23.46 -44.24 72.07 23.02 2 0 21.68 -999 ? CH3 ACT D 201 >HIS.D 151 -44.04 70.63 29.61 -43.01 70.81 31.43 -43.52 70.72 30.52 3 0 15.66 -999 ? CH3 ACT D 201 >PRO.D 152 -39.96 69.44 29.15 -41.36 68.21 27.93 -40.66 68.83 28.54 3 0 17.84 -999 ? CH3 ACT D 201 >GLY.D 153 -42.01 64.47 29.92 -41.35 64.91 30.11 -41.68 64.69 30.01 1 0 14.87 -999 ? CH3 ACT D 201 >LEU.D 154 -41.78 62.16 34.13 -42.22 62.04 36.24 -42.00 62.10 35.19 3 0 11.37 -999 ? CH3 ACT D 201 >SER.D 155 -37.80 61.65 32.35 -38.17 59.27 32.14 -37.98 60.46 32.24 2 0 16.53 -999 ? CH3 ACT D 201 >GLU.D 156 -37.15 64.72 28.61 -38.97 63.94 27.88 -38.06 64.33 28.24 2 0 18.36 -999 ? CH3 ACT D 201