REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-JAN-09 3FRW COMPND PUTATIVE TRP REPRESSOR PROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F, G, H; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RUMINOCOCCUS OBEUM ATCC 29174; SOURCE 3 ORGANISM_TAXID: 411459; SOURCE 4 ATCC: 29174; SOURCE 5 GENE: RUMOBE_00155; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG19 AUTHOR J.OSIPIUK,L.KEIGHER,R.JEDRZEJCZAK,G.BABNIGG,A.JOACHIMIAK,MIDWEST AUTHOR 2 CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 51 8 HET MSE A 88 8 HET MSE A 93 8 HET MSE B 51 8 HET MSE B 88 8 HET MSE B 93 8 HET MSE C 51 8 HET MSE C 88 8 HET MSE C 93 8 HET MSE D 51 8 HET MSE D 88 8 HET MSE D 93 8 HET MSE E 51 8 HET MSE E 88 8 HET MSE E 93 8 HET MSE F 51 8 HET MSE F 88 8 HET MSE F 93 8 HET MSE G 51 8 HET MSE G 88 8 HET MSE G 93 8 HET MSE H 51 8 HET MSE H 88 8 HET MSE H 93 8 HET ACT B 202 4 HET ACT D 203 4 HET ACT F 201 4 SITE 1 AC1 5 ASN B 37 LEU B 40 SER B 41 GLN B 44 SITE 1 AC2 6 ASP C 32 VAL C 33 HOH C 414 ARG D 45 SITE 1 AC3 3 LYS E 23 ARG F 6 ASP F 11 >ILE.A 5 70.26 27.99 22.11 69.46 27.82 20.94 69.86 27.90 21.53 3 0 10.51 -999 ? CH3 ACT B 202 >ARG.A 6 71.65 21.69 23.55 72.56 21.33 20.56 72.11 21.51 22.05 2 0 17.63 -999 ? CH3 ACT B 202 >THR~A 7 69.07 25.03 28.58 68.38 27.08 28.55 68.73 26.05 28.56 2 0 10.25 -999 ? O ACT B 202 >GLU~A 8 67.95 22.00 32.67 68.00 21.63 34.80 67.98 21.82 33.74 2 0 13.17 -999 ? CH3 ACT F 201 >GLU~A 9 64.36 27.42 31.75 63.07 26.47 33.27 63.71 26.94 32.51 2 0 12.03 -999 ? O ACT B 202 >VAL~A 10 64.45 25.14 26.12 65.63 26.08 24.50 65.04 25.61 25.31 3 0 10.28 -999 ? O ACT B 202 >ASP~A 11 65.21 20.60 27.81 67.25 20.44 27.35 66.23 20.52 27.58 2 0 15.83 -999 ? O ACT B 202 >HIS~A 12 59.58 22.46 30.33 57.79 22.28 31.41 58.69 22.37 30.87 3 0 15.28 -999 ? O ACT B 202 >LEU~A 13 60.15 24.89 24.73 59.39 26.02 22.98 59.77 25.45 23.85 3 0 11.27 -999 ? O ACT B 202 >PHE~A 14 63.16 21.48 22.07 64.59 23.38 20.57 63.87 22.43 21.32 3 0 14.09 -999 ? O ACT B 202 >GLU~A 15 60.80 17.64 27.38 60.86 17.94 29.50 60.83 17.79 28.44 2 0 18.51 -999 ? O ACT B 202 >ALA~A 16 56.01 19.91 24.72 55.74 21.39 25.09 55.87 20.65 24.91 2 0 16.54 -999 ? O ACT B 202 >ILE~A 17 57.66 20.93 20.23 58.18 21.91 19.34 57.92 21.42 19.78 3 0 16.64 -999 ? O ACT B 202 >LEU~A 18 58.68 15.73 21.55 60.81 15.62 20.81 59.74 15.68 21.18 3 0 21.03 -999 ? O ACT B 202 >CYH.A 19 54.02 15.52 22.52 54.42 15.67 25.29 54.22 15.59 23.91 2 0 22.24 -999 ? O ACT B 202 >LEU.A 20 52.49 18.14 18.72 52.33 20.18 19.48 52.41 19.16 19.10 3 0 21.24 -999 ? O ACT B 202 >LYS.A 21 50.75 14.07 17.26 48.80 11.28 21.89 49.78 12.67 19.57 2 0 29.02 -999 ? O ACT B 202 >ASN~A 22 47.72 15.10 14.08 46.34 15.72 15.60 47.03 15.41 14.84 2 0 28.49 -999 ? O ACT B 202 >LYS~A 23 48.63 19.02 12.30 48.14 17.22 7.51 48.38 18.12 9.91 2 0 30.31 -999 ? OXT ACT B 202 >GLU~A 24 43.38 19.06 13.18 42.85 21.00 12.48 43.11 20.03 12.83 2 0 28.55 -999 ? OXT ACT B 202 >GLU~A 25 46.83 17.58 18.67 47.49 15.87 19.73 47.16 16.72 19.20 2 0 26.47 -999 ? O ACT B 202 >CYH~A 26 50.22 21.84 16.09 52.14 20.13 14.96 51.18 20.98 15.52 2 0 22.32 -999 ? O ACT B 202 >TYR~A 27 46.99 24.74 12.71 47.76 25.19 10.03 47.37 24.96 11.37 3 0 23.89 -999 ? OXT ACT B 202 >THR~A 28 46.30 24.33 18.68 45.00 22.95 19.67 45.65 23.64 19.17 2 0 23.39 -999 ? OXT ACT B 202 >PHE~A 29 51.92 23.91 21.35 54.22 24.66 22.78 53.07 24.29 22.07 3 0 16.18 -999 ? O ACT B 202 >PHE~A 30 53.47 25.80 16.87 55.58 24.01 17.31 54.52 24.90 17.09 3 0 16.73 -999 ? O ACT B 202 >GLU~A 31 46.31 30.38 17.12 44.46 29.99 16.11 45.39 30.18 16.61 2 0 21.53 -999 ? OXT ACT B 202 >ASP~A 32 48.40 28.77 22.49 46.29 28.38 22.65 47.34 28.58 22.57 2 0 18.83 -999 ? OXT ACT B 202 >VAL~A 33 52.57 30.27 21.65 53.95 28.72 22.34 53.26 29.50 21.99 3 0 12.61 -999 ? OXT ACT B 202 >CYH~A 34 53.37 32.35 18.53 55.08 30.40 17.56 54.23 31.37 18.04 2 0 12.65 -999 ? OXT ACT B 202 >THR~A 35 51.94 35.43 16.97 53.36 37.07 17.19 52.65 36.25 17.08 2 0 12.11 -999 ? OXT ACT B 202 >ILE~A 36 49.36 35.99 12.83 48.04 36.19 12.26 48.70 36.09 12.55 3 0 18.71 -999 ? OXT ACT B 202 >ASN~A 37 53.95 38.54 12.25 52.79 39.97 11.11 53.37 39.26 11.68 2 0 17.17 -999 ? OXT ACT B 202 >GLU~A 38 56.81 35.64 16.13 56.34 35.50 18.23 56.58 35.57 17.18 2 0 9.39 -999 ? OXT ACT B 202 >LEU~A 39 53.04 31.07 13.02 52.66 28.96 13.04 52.85 30.02 13.03 3 0 17.07 -999 ? OXT ACT B 202 >LEU~A 40 53.33 34.12 8.54 51.22 33.90 7.95 52.27 34.01 8.25 3 0 19.92 -999 ? OXT ACT B 202 >SER~A 41 57.94 33.98 9.08 57.95 36.14 10.19 57.94 35.06 9.63 2 0 15.18 -999 ? CH3 ACT B 202 >LEU~A 42 58.41 29.72 11.36 59.26 29.89 13.34 58.83 29.81 12.35 3 0 14.63 -999 ? CH3 ACT B 202 >SER~A 43 56.69 28.93 7.38 54.69 28.27 6.31 55.69 28.60 6.85 2 0 21.87 -999 ? CH3 ACT B 202 >GLN~A 44 58.79 33.56 3.74 58.70 35.65 3.70 58.75 34.61 3.72 2 0 20.96 -999 ? CH3 ACT B 202 >ARG~A 45 63.51 32.31 8.37 62.70 33.32 11.12 63.10 32.82 9.75 2 0 13.25 -999 ? CH3 ACT B 202 >PHE~A 46 59.80 24.51 6.19 59.84 21.72 5.92 59.82 23.12 6.06 3 0 22.91 -999 ? CH3 ACT B 202 >GLU~A 47 57.73 27.62 0.08 56.01 28.64 -0.65 56.87 28.13 -0.29 2 0 27.17 -999 ? CH3 ACT B 202 >VAL~A 48 62.42 29.38 1.04 63.22 31.41 1.29 62.82 30.40 1.17 3 0 23.53 -999 ? CH3 ACT B 202 >ALA~A 49 64.67 26.53 2.30 64.63 25.93 3.71 64.65 26.23 3.00 2 0 22.80 -999 ? CH3 ACT B 202 >LYS~A 50 62.81 24.07 0.09 57.08 22.60 1.47 59.95 23.34 0.78 2 0 27.51 -999 ? CH3 ACT B 202 >MET?A 51 63.06 26.23 -3.06 59.86 29.09 -3.55 61.46 27.66 -3.30 2 0 28.77 -999 ? CH3 ACT B 202 >LEU~A 52 67.36 27.62 -1.10 67.88 29.75 -0.88 67.62 28.69 -0.99 3 0 26.18 -999 ? CH3 ACT B 202 >THR~A 53 67.38 23.22 -2.09 67.13 21.83 -0.47 67.26 22.52 -1.28 2 0 28.57 -999 ? CH3 ACT B 202 >ASP~A 54 64.11 22.95 -5.61 63.13 21.42 -4.50 63.62 22.19 -5.05 2 0 32.20 -999 ? CH3 ACT B 202 >LYS.A 55 67.97 25.58 -7.02 72.22 22.19 -6.95 70.10 23.88 -6.98 2 0 26.73 -999 ? OXT ACT D 203 >ARG.A 56 63.16 26.26 -8.44 60.82 27.97 -9.47 61.99 27.12 -8.96 2 0 34.58 -999 ? CH3 ACT B 202 >THR~A 57 66.54 31.72 -8.24 66.16 32.22 -10.31 66.35 31.97 -9.28 2 0 34.37 -999 ? CH3 ACT B 202 >TYR~A 58 68.21 34.96 -4.24 70.11 34.02 -2.37 69.16 34.49 -3.30 3 0 27.48 -999 ? CH3 ACT B 202 >LEU~A 59 64.17 36.25 -9.69 63.16 37.68 -11.03 63.67 36.96 -10.36 3 0 34.10 -999 ? CH3 ACT B 202 >ASP~A 60 61.90 31.70 -9.00 61.86 31.73 -11.10 61.88 31.71 -10.05 2 0 35.31 -999 ? CH3 ACT B 202 >ILE~A 61 62.94 32.31 -3.77 63.72 31.45 -2.91 63.33 31.88 -3.34 3 0 27.55 -999 ? CH3 ACT B 202 >SER~A 62 60.75 36.31 -3.85 62.59 37.79 -3.52 61.67 37.05 -3.69 2 0 27.35 -999 ? CH3 ACT B 202 >GLU~A 63 58.83 37.13 -8.50 58.67 37.16 -10.63 58.75 37.15 -9.57 2 0 34.89 -999 ? CH3 ACT B 202 >LYS~A 64 56.48 32.89 -4.93 54.16 28.42 -3.45 55.32 30.66 -4.19 2 0 30.36 -999 ? CH3 ACT B 202 >THR~A 65 57.00 33.53 -1.19 58.94 32.63 -0.79 57.97 33.08 -0.99 2 0 25.54 -999 ? CH3 ACT B 202 >GLY~A 66 57.39 37.31 -0.93 57.95 36.78 -0.78 57.67 37.05 -0.85 1 0 25.74 -999 ? CH3 ACT B 202 >ALA.A 67 60.71 36.85 0.94 61.46 35.57 1.15 61.09 36.21 1.05 2 0 22.85 -999 ? CH3 ACT B 202 >SER~A 68 63.25 39.68 0.78 63.90 40.06 3.08 63.57 39.87 1.93 2 0 20.91 -999 ? CH3 ACT B 202 >THR~A 69 66.78 39.06 -0.42 67.97 39.81 -2.01 67.37 39.43 -1.22 2 0 26.10 -999 ? CH3 ACT B 202 >ALA~A 70 67.89 39.36 3.24 67.63 40.52 4.18 67.76 39.94 3.71 2 0 20.09 -999 ? CH3 ACT B 202 >THR~A 71 65.50 36.63 4.22 63.44 36.42 4.83 64.47 36.53 4.53 2 0 18.95 -999 ? CH3 ACT B 202 >ILE~A 72 66.36 34.63 -0.05 65.75 34.48 -1.31 66.05 34.55 -0.68 3 0 24.54 -999 ? CH3 ACT B 202 >SER~A 73 70.29 34.96 2.17 71.06 36.76 0.79 70.67 35.86 1.48 2 0 23.77 -999 ? CH3 ACT B 202 >ARG~A 74 68.68 36.67 8.47 65.76 37.30 7.63 67.22 36.99 8.05 2 0 16.13 -999 ? CH3 ACT B 202 >VAL~A 75 68.01 30.78 4.94 65.98 30.12 4.51 67.00 30.45 4.72 3 0 20.17 -999 ? CH3 ACT B 202 >ASN~A 76 71.17 30.90 1.26 72.45 29.86 -0.07 71.81 30.38 0.60 2 0 25.87 -999 ? OXT ACT D 203 >ARG~A 77 76.05 32.44 6.19 76.23 34.92 4.47 76.14 33.68 5.33 2 0 22.48 -999 ? CH3 ACT B 202 >SER~A 78 71.56 28.13 7.32 69.72 27.10 8.52 70.64 27.62 7.92 2 0 18.71 -999 ? CH3 ACT B 202 >LEU~A 79 70.96 25.68 3.16 68.94 25.23 2.61 69.95 25.46 2.88 3 0 24.30 -999 ? CH3 ACT B 202 >ASN~A 80 75.82 27.31 3.27 75.31 27.56 1.23 75.57 27.43 2.25 2 0 22.60 -999 ? OXT ACT D 203 >TYR~A 81 78.04 28.34 6.35 79.10 29.49 4.04 78.57 28.91 5.20 3 0 20.11 -999 ? OXT ACT D 203 >GLY~A 82 74.09 25.08 9.79 74.53 24.54 9.39 74.31 24.81 9.59 1 0 20.47 -999 ? CH3 ACT B 202 >ASN.A 83 72.15 21.71 12.55 72.66 23.13 14.04 72.40 22.42 13.29 2 0 18.54 -999 ? CH3 ACT B 202 >ASP~A 84 72.36 18.91 7.87 74.04 19.40 6.70 73.20 19.16 7.29 2 0 24.73 -999 ? OXT ACT D 203 >GLY~A 85 68.17 20.32 10.06 68.29 20.46 9.25 68.23 20.39 9.66 1 0 21.70 -999 ? CH3 ACT B 202 >TYR~A 86 66.19 23.84 6.54 65.34 26.34 7.30 65.76 25.09 6.92 3 0 20.52 -999 ? CH3 ACT B 202 >GLU~A 87 69.89 16.89 4.36 72.01 16.80 3.91 70.95 16.84 4.14 2 0 26.82 -999 ? OXT ACT D 203 >MET?A 88 67.00 16.00 7.89 67.18 15.63 12.21 67.09 15.81 10.05 2 0 24.25 -999 ? CH3 ACT B 202 >VAL~A 89 63.28 16.90 7.74 62.80 18.70 8.87 63.04 17.80 8.30 3 0 24.56 -999 ? CH3 ACT B 202 >PHE~A 90 63.87 19.38 3.00 63.60 22.19 3.09 63.74 20.78 3.05 3 0 26.20 -999 ? CH3 ACT B 202 >SER~A 91 64.53 13.50 3.73 66.07 11.67 4.15 65.30 12.59 3.94 2 0 31.91 -999 ? CH3 ACT B 202 >ARG~A 92 62.98 12.32 9.80 64.75 12.25 12.29 63.86 12.29 11.04 2 0 27.11 -999 ? CH3 ACT B 202 >MET?A 93 58.99 13.84 4.55 58.77 17.85 5.68 58.88 15.84 5.11 2 0 26.88 -999 ? CH3 ACT B 202 >LYS~A 94 60.00 12.25 1.22 63.40 12.31 -4.14 61.70 12.28 -1.46 2 0 36.60 -999 ? OXT ACT D 203 >GLU~A 95 62.51 8.19 3.23 63.97 8.23 4.75 63.24 8.21 3.99 2 0 34.34 -999 ? CH3 ACT B 202 >LYS~A 96 56.73 9.23 4.37 52.30 12.03 7.84 54.51 10.63 6.11 2 0 31.90 -999 ? O ACT B 202 >GLU~A 97 55.32 11.90 -1.03 53.58 12.76 -0.15 54.45 12.33 -0.59 2 0 35.71 -999 ? CH3 ACT B 202 >THR~A 98 57.34 7.00 -0.69 59.28 6.70 -1.65 58.31 6.85 -1.17 2 0 39.78 -999 ? CH3 ACT B 202 >GLY.B 2 44.07 40.14 7.45 43.91 39.45 7.86 43.99 39.80 7.65 1 0 25.67 -999 ? OXT ACT B 202 >LYS.B 3 46.88 37.55 7.55 51.49 40.63 8.38 49.19 39.09 7.97 2 0 20.23 -999 ? OXT ACT B 202 >LYS.B 4 46.00 34.03 8.72 42.62 30.50 6.24 44.31 32.27 7.48 2 0 28.24 -999 ? OXT ACT B 202 >ILE.B 5 48.39 30.69 11.33 48.28 30.79 12.71 48.33 30.74 12.02 3 0 20.38 -999 ? OXT ACT B 202 >ARG.B 6 44.30 26.17 9.97 43.47 23.72 11.66 43.89 24.95 10.81 2 0 27.02 -999 ? OXT ACT B 202 >THR~B 7 47.63 27.68 4.93 49.02 29.38 5.17 48.32 28.53 5.05 2 0 25.29 -999 ? OXT ACT B 202 >GLU~B 8 47.56 24.55 1.05 47.23 23.83 -0.91 47.40 24.19 0.07 2 0 32.93 -999 ? CH3 ACT B 202 >GLU~B 9 53.31 27.86 1.83 51.40 28.17 0.92 52.35 28.02 1.38 2 0 27.82 -999 ? CH3 ACT B 202 >VAL~B 10 52.10 26.17 7.56 51.41 27.61 9.10 51.76 26.89 8.33 3 0 22.43 -999 ? OXT ACT B 202 >ASP~B 11 49.71 22.17 6.06 47.65 22.70 6.51 48.68 22.44 6.28 2 0 27.90 -999 ? OXT ACT B 202 >HIS~B 12 53.74 21.68 2.99 52.54 21.52 1.27 53.14 21.60 2.13 3 0 28.87 -999 ? CH3 ACT B 202 >LEU~B 13 55.98 24.78 8.74 57.25 25.76 10.26 56.61 25.27 9.50 3 0 20.07 -999 ? CH3 ACT B 202 >PHE~B 14 52.16 22.69 11.85 51.50 25.15 13.14 51.83 23.92 12.49 3 0 21.26 -999 ? OXT ACT B 202 >GLU~B 15 53.15 17.82 6.97 53.15 17.83 4.84 53.15 17.82 5.90 2 0 29.21 -999 ? CH3 ACT B 202 >ALA~B 16 58.40 18.79 9.37 59.16 19.99 8.86 58.78 19.39 9.12 2 0 23.15 -999 ? CH3 ACT B 202 >ILE~B 17 57.24 20.64 13.80 57.16 21.84 14.50 57.20 21.24 14.15 3 0 19.75 -999 ? O ACT B 202 >LEU~B 18 54.58 15.95 12.97 52.61 16.58 13.78 53.59 16.26 13.38 3 0 25.28 -999 ? O ACT B 202 >CYH.B 19 58.93 14.22 12.13 58.72 14.27 9.28 58.83 14.25 10.71 2 0 27.47 -999 ? CH3 ACT B 202 >LEU.B 20 61.35 16.72 15.56 62.07 18.48 14.48 61.71 17.60 15.02 3 0 21.23 -999 ? O ACT B 202 >LYS.B 21 61.88 12.35 17.28 59.38 10.31 13.22 60.63 11.33 15.25 2 0 28.74 -999 ? O ACT B 202 >ASN~B 22 64.96 12.64 20.58 66.44 12.57 19.07 65.70 12.61 19.82 2 0 24.31 -999 ? O ACT B 202 >LYS~B 23 65.26 16.80 21.84 64.89 15.89 26.86 65.07 16.34 24.35 2 0 19.98 -999 ? O ACT B 202 >GLU~B 24 70.85 15.63 19.18 71.33 14.69 17.33 71.09 15.16 18.25 2 0 23.93 -999 ? O ACT B 202 >GLU~B 25 66.52 14.14 15.82 65.34 12.66 14.87 65.93 13.40 15.35 2 0 25.61 -999 ? O ACT B 202 >CYH~B 26 64.69 19.71 17.90 62.31 18.76 19.19 63.50 19.24 18.55 2 0 18.31 -999 ? O ACT B 202 >TYR~B 27 68.76 21.64 20.93 68.15 22.36 23.58 68.46 22.00 22.26 3 0 14.97 -999 ? O ACT B 202 >THR~B 28 69.15 20.58 15.13 69.97 18.76 14.36 69.56 19.67 14.74 2 0 21.01 -999 ? CH3 ACT B 202 >PHE~B 29 63.63 21.56 12.41 61.78 22.73 10.65 62.70 22.14 11.53 3 0 19.21 -999 ? CH3 ACT B 202 >PHE~B 30 62.79 24.18 16.58 60.20 23.13 16.26 61.49 23.65 16.42 3 0 15.43 -999 ? CH3 ACT B 202 >GLU~B 31 69.89 25.77 17.56 71.56 24.68 18.40 70.72 25.23 17.98 2 0 14.89 -999 ? CH3 ACT B 202 >ASP~B 32 68.33 24.93 10.73 70.24 23.94 10.53 69.29 24.43 10.63 2 0 19.24 -999 ? CH3 ACT B 202 >VAL~B 33 65.00 27.77 11.24 62.88 27.04 11.24 63.94 27.41 11.24 3 0 15.67 -999 ? CH3 ACT B 202 >CYH~B 34 65.06 30.23 14.23 62.84 29.09 15.48 63.95 29.66 14.86 2 0 11.47 -999 ? CH3 ACT B 202 >THR~B 35 67.49 32.83 15.52 66.77 34.83 15.14 67.13 33.83 15.33 2 0 9.03 -999 ? CH3 ACT B 202 >ILE~B 36 70.19 32.65 19.61 71.46 32.34 20.13 70.82 32.49 19.87 3 0 8.38 -999 ? CH3 ACT B 202 >ASN~B 37 66.67 36.70 19.83 68.36 37.73 20.69 67.51 37.21 20.26 2 0 -4.77 -999 ? CH3 ACT B 202s >GLU~B 38 63.23 34.64 16.27 63.30 34.21 14.18 63.27 34.42 15.23 2 0 10.00 -999 ? CH3 ACT B 202 >LEU~B 39 65.03 29.29 19.84 64.87 27.10 20.10 64.95 28.19 19.97 3 0 9.43 -999 ? CH3 ACT B 202 >LEU~B 40 65.88 32.78 23.95 67.78 31.95 24.55 66.83 32.37 24.25 3 0 -4.80 -999 ? O ACT B 202s >SER~B 41 61.50 34.03 23.23 61.96 36.15 22.15 61.73 35.09 22.69 2 0 -3.08 -999 ? OXT ACT B 202s >LEU~B 42 59.65 29.89 21.50 58.80 30.19 19.56 59.23 30.04 20.53 3 0 9.02 -999 ? O ACT B 202 >SER~B 43 61.01 29.10 25.62 63.39 29.71 25.81 62.20 29.41 25.71 2 0 6.11 -999 ? O ACT B 202 >GLN~B 44 60.42 34.57 28.60 61.14 36.55 28.21 60.78 35.56 28.40 2 0 -3.74 -999 ? O ACT B 202s >ARG~B 45 55.88 33.57 23.50 56.62 34.81 20.84 56.25 34.19 22.17 2 0 7.73 -999 ? OXT ACT B 202 >PHE~B 46 56.57 26.00 27.18 55.50 23.45 27.81 56.04 24.72 27.50 3 0 13.66 -999 ? O ACT B 202 >GLU~B 47 60.02 29.17 32.73 62.04 29.88 33.10 61.03 29.53 32.91 2 0 9.64 -999 ? O ACT B 202 >VAL~B 48 55.76 31.88 31.84 55.57 34.01 31.24 55.67 32.94 31.54 3 0 10.42 -999 ? O ACT B 202 >ALA~B 49 52.70 29.72 30.91 52.45 29.06 29.53 52.58 29.39 30.22 2 0 13.76 -999 ? O ACT B 202 >LYS~B 50 53.91 26.94 33.29 53.44 21.90 34.06 53.67 24.42 33.68 2 0 19.26 -999 ? O ACT B 202 >MET?B 51 54.32 29.44 36.18 58.22 31.08 36.74 56.27 30.26 36.46 2 0 13.25 -999 ? O ACT B 202 >LEU~B 52 50.47 31.81 34.22 50.68 33.90 33.63 50.58 32.85 33.93 3 0 15.77 -999 ? OXT ACT B 202 >THR~B 53 49.40 27.67 35.70 48.97 26.17 34.14 49.19 26.92 34.92 2 0 19.61 -999 ? O ACT B 202 >ASP~B 54 52.80 27.00 39.19 53.60 25.17 38.44 53.20 26.08 38.82 2 0 19.49 -999 ? O ACT B 202 >LYS.B 55 49.49 30.33 40.26 44.97 28.02 39.48 47.23 29.18 39.87 2 0 24.61 -999 ? O ACT B 202 >ARG.B 56 54.14 29.72 41.65 55.61 29.61 44.37 54.87 29.67 43.01 2 0 18.41 -999 ? O ACT F 201 >THR~B 57 52.71 36.05 41.06 53.37 36.53 43.06 53.04 36.29 42.06 2 0 19.95 -999 ? O ACT F 201 >TYR~B 58 52.16 39.38 36.66 50.09 38.97 34.77 51.12 39.17 35.72 3 0 15.95 -999 ? OXT ACT B 202 >LEU~B 59 57.19 40.06 41.50 59.02 41.24 42.04 58.11 40.65 41.77 3 0 16.31 -999 ? O ACT F 201 >ASP~B 60 57.00 34.68 41.51 57.89 32.79 42.06 57.45 33.73 41.79 2 0 15.24 -999 ? O ACT F 201 >ILE~B 61 56.02 35.09 36.36 54.92 34.57 35.65 55.47 34.83 36.00 3 0 13.29 -999 ? O ACT B 202 >SER~B 62 59.35 38.05 35.85 59.21 39.90 37.42 59.28 38.97 36.64 2 0 13.23 -999 ? O ACT B 202 >GLU~B 63 62.04 38.69 40.29 63.54 40.13 39.94 62.79 39.41 40.12 2 0 11.18 -999 ? O ACT F 201 >LYS~B 64 62.53 33.60 37.12 64.11 29.47 35.53 63.32 31.53 36.32 2 0 10.97 -999 ? O ACT F 201 >THR~B 65 61.80 33.97 33.42 59.61 33.87 33.26 60.70 33.92 33.34 2 0 8.86 -999 ? O ACT B 202 >GLY~B 66 63.11 37.47 32.62 62.29 37.26 32.62 62.70 37.37 32.62 1 0 7.14 -999 ? O ACT B 202 >ALA.B 67 59.66 38.36 31.16 58.49 37.36 31.03 59.07 37.86 31.10 2 0 7.45 -999 ? OXT ACT B 202 >SER~B 68 58.15 41.88 31.38 57.61 42.41 29.14 57.88 42.15 30.26 2 0 8.35 -999 ? OXT ACT B 202 >THR~B 69 54.53 42.41 32.45 53.49 43.54 33.96 54.01 42.97 33.21 2 0 14.33 -999 ? OXT ACT B 202 >ALA~B 70 53.60 42.95 28.74 54.24 43.93 27.79 53.92 43.44 28.26 2 0 11.11 -999 ? OXT ACT B 202 >THR~B 71 55.01 39.53 27.80 57.05 38.83 27.33 56.03 39.18 27.56 2 0 6.33 -999 ? OXT ACT B 202 >ILE~B 72 53.67 38.15 32.35 54.15 37.93 33.67 53.91 38.04 33.01 3 0 11.98 -999 ? OXT ACT B 202 >SER~B 73 50.05 39.46 30.12 48.52 41.29 29.68 49.28 40.38 29.90 2 0 15.48 -999 ? OXT ACT B 202 >ARG~B 74 52.09 38.49 23.17 54.06 40.70 24.05 53.08 39.60 23.61 2 0 9.31 -999 ? OXT ACT B 202 >VAL~B 75 50.88 34.62 27.66 52.61 33.37 28.17 51.74 34.00 27.91 3 0 11.85 -999 ? OXT ACT B 202 >ASN~B 76 48.02 36.01 31.41 46.28 35.73 32.65 47.15 35.87 32.03 2 0 18.23 -999 ? OXT ACT B 202 >ARG~B 77 44.24 37.78 25.07 42.44 39.24 23.09 43.34 38.51 24.08 2 0 20.42 -999 ? OXT ACT B 202 >SER~B 78 46.60 32.93 25.47 48.10 33.32 23.70 47.35 33.12 24.59 2 0 15.18 -999 ? OXT ACT B 202 >LEU~B 79 47.05 31.07 29.82 48.32 29.60 30.73 47.68 30.33 30.27 3 0 17.42 -999 ? OXT ACT B 202 >ASN~B 80 42.66 33.08 30.47 43.58 32.57 32.32 43.12 32.82 31.39 2 0 21.05 -999 ? OXT ACT B 202 >TYR~B 81 40.45 34.84 27.30 39.36 35.82 29.66 39.90 35.33 28.48 3 0 23.16 -999 ? OXT ACT B 202 >GLY~B 82 43.16 30.73 23.52 42.62 30.32 24.01 42.89 30.52 23.77 1 0 20.67 -999 ? OXT ACT B 202 >ASN.B 83 43.79 26.70 21.12 43.67 28.09 19.53 43.73 27.39 20.32 2 0 21.82 -999 ? OXT ACT B 202 >ASP~B 84 42.70 24.54 25.97 41.16 25.64 26.94 41.93 25.09 26.45 2 0 24.59 -999 ? OXT ACT B 202 >GLY~B 85 47.13 24.34 23.80 47.07 24.61 24.56 47.10 24.48 24.18 1 0 20.30 -999 ? OXT ACT B 202 >TYR~B 86 50.37 27.36 26.98 51.91 29.40 25.90 51.14 28.38 26.44 3 0 14.70 -999 ? OXT ACT B 202 >GLU~B 87 45.78 23.62 31.09 46.65 22.16 32.41 46.22 22.89 31.75 2 0 22.93 -999 ? O ACT B 202 >MET?B 88 46.94 20.18 26.35 46.58 19.51 22.04 46.76 19.84 24.19 2 0 24.01 -999 ? O ACT B 202 >VAL~B 89 50.73 19.69 26.38 51.77 21.19 25.11 51.25 20.44 25.75 3 0 19.86 -999 ? O ACT B 202 >PHE~B 90 51.12 22.60 30.90 52.38 25.12 30.51 51.75 23.86 30.70 3 0 17.71 -999 ? O ACT B 202 >SER~B 91 48.57 17.14 30.76 46.40 18.19 30.75 47.48 17.66 30.75 2 0 25.29 -999 ? O ACT B 202 >ARG~B 92 50.04 14.46 24.44 48.00 15.15 22.28 49.02 14.81 23.36 2 0 26.25 -999 ? O ACT B 202 >MET?B 93 53.60 15.60 29.66 54.99 19.44 28.39 54.30 17.52 29.03 2 0 18.79 -999 ? O ACT B 202 >LYS~B 94 52.24 14.49 33.10 49.33 19.48 34.77 50.79 16.98 33.94 2 0 23.64 -999 ? O ACT B 202 >GLU~B 95 48.63 11.67 30.26 47.92 11.94 28.26 48.28 11.80 29.26 2 0 28.79 -999 ? O ACT B 202 >LYS~B 96 54.26 10.52 30.09 56.54 9.99 25.31 55.40 10.26 27.70 2 0 26.83 -999 ? O ACT B 202 >GLU~B 97 57.53 8.52 33.11 59.61 8.22 33.06 58.57 8.37 33.09 2 0 28.67 -999 ? CH3 ACT F 201 >ARG~C 6 81.01 23.47 8.92 78.30 22.68 7.54 79.66 23.07 8.23 2 0 20.47 -999 ? OXT ACT D 203 >THR~C 7 80.36 30.22 10.56 78.42 30.75 11.49 79.39 30.49 11.03 2 0 19.30 -999 ? CH3 ACT B 202 >GLU~C 8 81.92 29.94 15.38 79.82 29.72 14.98 80.87 29.83 15.18 2 0 18.80 -999 ? CH3 ACT B 202 >GLU~C 9 85.70 27.64 13.33 86.78 28.57 14.93 86.24 28.10 14.13 2 0 17.09 -999 ? O ACT D 203 >VAL~C 10 84.86 31.12 8.38 83.65 30.40 6.60 84.25 30.76 7.49 3 0 16.14 -999 ? O ACT D 203 >ASP~C 11 83.63 34.86 11.29 81.54 34.90 10.90 82.58 34.88 11.09 2 0 21.19 -999 ? CH3 ACT B 202 >HIS~C 12 89.79 33.24 13.00 91.67 33.36 13.91 90.73 33.30 13.45 3 0 15.80 -999 ? O ACT D 203 >LEU~C 13 89.08 32.33 7.02 89.97 31.93 5.09 89.53 32.13 6.05 3 0 12.27 -999 ? O ACT D 203 >PHE~C 14 85.32 35.71 5.45 84.13 34.00 3.50 84.72 34.86 4.48 3 0 17.15 -999 ? OXT ACT D 203 >GLU~C 15 88.41 39.92 11.52 86.36 40.44 11.14 87.38 40.18 11.33 2 0 21.80 -999 ? O ACT D 203 >ALA~C 16 92.35 37.78 8.20 92.88 36.37 8.19 92.62 37.07 8.19 2 0 14.39 -999 ? O ACT D 203 >ILE~C 17 90.52 37.64 3.61 90.16 36.81 2.52 90.34 37.22 3.07 3 0 15.14 -999 ? OXT ACT D 203 >LEU~C 18 88.79 42.08 6.31 86.71 42.02 5.59 87.75 42.05 5.95 3 0 21.05 -999 ? O ACT D 203 >CYH.C 19 93.40 42.83 7.11 93.43 41.98 9.73 93.41 42.40 8.42 2 0 19.73 -999 ? O ACT D 203 >LEU.C 20 95.09 41.35 2.79 95.66 39.21 3.07 95.37 40.28 2.93 3 0 16.40 -999 ? C ACT D 203 >LYS.C 21 96.08 45.91 2.29 98.44 47.84 7.11 97.26 46.88 4.70 2 0 24.02 -999 ? CH3 ACT D 203 >ASN~C 22 99.05 46.35 -1.09 100.58 45.69 0.24 99.81 46.02 -0.43 2 0 21.16 -999 ? CH3 ACT D 203 >LYS~C 23 98.44 42.86 -3.83 96.91 45.53 -8.72 97.67 44.20 -6.28 2 0 23.46 -999 ? CH3 ACT D 203 >GLU~C 24 103.90 43.14 -3.18 104.53 41.32 -4.12 104.22 42.23 -3.65 2 0 18.22 -999 ? CH3 ACT D 203 >GLU~C 25 100.45 43.15 2.38 99.75 44.32 3.97 100.10 43.73 3.18 2 0 19.91 -999 ? CH3 ACT D 203 >CYH~C 26 97.68 38.95 -0.96 95.46 40.59 -1.44 96.57 39.77 -1.20 2 0 16.80 -999 ? OXT ACT D 203 >TYR~C 27 101.12 37.68 -5.05 100.27 37.87 -7.68 100.70 37.77 -6.36 3 0 15.31 -999 ? CH3 ACT D 203 >THR~C 28 102.10 36.48 0.74 103.27 37.79 2.02 102.69 37.13 1.38 2 0 13.65 -999 ? CH3 ACT D 203 >PHE~C 29 96.73 35.27 3.65 94.71 33.85 5.03 95.72 34.56 4.34 3 0 10.90 -999 ? O ACT D 203 >PHE~C 30 95.09 34.53 -0.98 92.78 35.78 0.09 93.94 35.16 -0.44 3 0 11.74 -999 ? OXT ACT D 203 >GLU~C 31 101.75 32.66 -3.32 103.53 33.74 -3.80 102.64 33.20 -3.56 2 0 11.12 -999 ? CH3 ACT D 203 >ASP~C 32 100.81 30.92 3.33 102.83 31.62 3.59 101.82 31.27 3.46 2 0 -7.94 -999 ? CH3 ACT D 203s >VAL~C 33 96.96 29.04 2.39 95.37 30.03 3.54 96.17 29.53 2.96 3 0 -5.89 -999 ? O ACT D 203s >CYH~C 34 96.45 27.78 -1.24 94.50 29.59 -1.85 95.48 28.68 -1.55 2 0 6.95 -999 ? OXT ACT D 203 >THR~C 35 98.38 25.40 -3.37 97.34 23.59 -3.72 97.86 24.49 -3.55 2 0 4.81 -999 ? OXT ACT D 203 >ILE~C 36 101.08 26.22 -7.39 102.34 26.37 -7.97 101.71 26.29 -7.68 3 0 9.37 -999 ? CH3 ACT D 203 >ASN~C 37 96.87 23.43 -8.97 98.45 22.56 -10.13 97.66 23.00 -9.55 2 0 11.32 -999 ? OXT ACT D 203 >GLU~C 38 93.78 24.54 -4.38 94.10 24.29 -2.26 93.94 24.41 -3.32 2 0 4.86 -999 ? OXT ACT D 203 >LEU~C 39 96.53 30.43 -6.08 96.65 32.55 -5.60 96.59 31.49 -5.84 3 0 10.15 -999 ? OXT ACT D 203 >LEU~C 40 96.44 28.47 -11.30 98.55 28.94 -11.69 97.50 28.70 -11.49 3 0 13.36 -999 ? OXT ACT D 203 >SER~C 41 92.16 27.74 -10.55 90.45 26.17 -10.06 91.31 26.95 -10.31 2 0 13.41 -999 ? OXT ACT D 203 >LEU~C 42 90.80 30.86 -6.98 89.80 30.17 -5.21 90.30 30.52 -6.09 3 0 12.09 -999 ? OXT ACT D 203 >SER~C 43 92.04 33.25 -10.40 94.23 32.47 -11.00 93.14 32.86 -10.70 2 0 15.06 -999 ? OXT ACT D 203 >GLN~C 44 90.85 29.71 -15.45 91.32 27.65 -15.92 91.08 28.68 -15.69 2 0 18.46 -999 ? OXT ACT D 203 >ARG~C 45 86.57 28.22 -10.90 86.70 27.23 -8.01 86.64 27.72 -9.46 2 0 14.55 -999 ? OXT ACT D 203 >PHE~C 46 88.21 37.11 -10.49 87.64 39.86 -10.14 87.92 38.49 -10.31 3 0 20.74 -999 ? OXT ACT D 203 >GLU~C 47 90.72 36.63 -16.77 90.88 38.68 -16.24 90.80 37.66 -16.51 2 0 23.60 -999 ? OXT ACT D 203 >VAL~C 48 86.43 33.89 -16.90 86.20 31.81 -17.29 86.31 32.85 -17.09 3 0 23.11 -999 ? OXT ACT D 203 >ALA~C 49 83.59 35.52 -14.84 83.44 35.46 -13.30 83.52 35.49 -14.07 2 0 23.16 -999 ? OXT ACT D 203 >LYS~C 50 84.90 38.99 -15.70 87.39 43.81 -16.08 86.14 41.40 -15.89 2 0 28.05 -999 ? OXT ACT D 203 >MET?C 51 85.19 38.09 -19.44 89.02 36.59 -20.56 87.10 37.34 -20.00 2 0 26.40 -999 ? OXT ACT D 203 >LEU~C 52 81.18 35.42 -18.83 81.27 33.37 -19.23 81.23 34.39 -19.03 3 0 27.91 -999 ? OXT ACT D 203 >THR~C 53 80.38 39.71 -17.98 80.25 40.42 -15.92 80.32 40.07 -16.95 2 0 29.27 -999 ? OXT ACT D 203 >ASP~C 54 83.66 42.04 -20.64 84.24 43.19 -18.91 83.95 42.62 -19.78 2 0 30.70 -999 ? OXT ACT D 203 >LYS.C 55 80.40 39.54 -23.36 75.61 40.08 -21.03 78.01 39.81 -22.20 2 0 35.05 -999 ? OXT ACT D 203 >ARG.C 56 85.58 40.14 -24.40 86.21 43.13 -24.50 85.89 41.64 -24.45 2 0 33.85 -999 ? OXT ACT D 203 >THR~C 57 83.33 34.67 -26.64 83.95 35.31 -28.61 83.64 34.99 -27.62 2 0 34.54 -999 ? OXT ACT D 203 >TYR~C 58 82.57 29.72 -24.53 80.41 29.39 -22.78 81.49 29.56 -23.66 3 0 30.02 -999 ? OXT ACT D 203 >LEU~C 59 87.53 31.01 -29.20 89.29 30.29 -30.32 88.41 30.65 -29.76 3 0 32.83 -999 ? OXT ACT D 203 >ASP~C 60 87.84 35.75 -26.66 88.79 37.57 -26.09 88.32 36.66 -26.37 2 0 31.56 -999 ? OXT ACT D 203 >ILE~C 61 86.81 33.09 -22.20 85.71 33.32 -21.24 86.26 33.21 -21.72 3 0 27.04 -999 ? OXT ACT D 203 >SER~C 62 89.90 30.06 -23.43 89.52 29.32 -25.73 89.71 29.69 -24.58 2 0 28.48 -999 ? OXT ACT D 203 >GLU~C 63 92.78 31.53 -27.65 92.22 32.69 -29.35 92.50 32.11 -28.50 2 0 32.05 -999 ? OXT ACT D 203 >LYS~C 64 93.33 34.25 -22.32 93.39 38.24 -18.60 93.36 36.25 -20.46 2 0 24.58 -999 ? OXT ACT D 203 >THR~C 65 92.71 32.04 -19.27 90.56 32.44 -18.98 91.63 32.24 -19.13 2 0 22.82 -999 ? OXT ACT D 203 >GLY~C 66 93.40 28.43 -20.43 92.66 28.79 -20.25 93.03 28.61 -20.34 1 0 22.32 -999 ? OXT ACT D 203 >ALA.C 67 89.80 27.62 -19.34 88.74 28.57 -18.73 89.27 28.09 -19.03 2 0 22.16 -999 ? OXT ACT D 203 >SER~C 68 88.03 24.71 -21.09 87.31 23.28 -19.28 87.67 23.99 -20.19 2 0 22.83 -999 ? OXT ACT D 203 >THR~C 69 84.36 24.97 -22.31 83.26 24.70 -24.12 83.81 24.83 -23.21 2 0 29.00 -999 ? OXT ACT D 203 >ALA~C 70 83.30 22.91 -19.27 83.80 21.49 -18.90 83.55 22.20 -19.09 2 0 24.44 -999 ? OXT ACT D 203 >THR~C 71 84.96 25.31 -16.86 86.93 25.51 -16.15 85.94 25.41 -16.50 2 0 20.32 -999 ? OXT ACT D 203 >ILE~C 72 83.84 28.80 -20.16 84.42 29.62 -21.20 84.13 29.21 -20.68 3 0 26.10 -999 ? OXT ACT D 203 >SER~C 73 80.06 26.82 -18.67 78.39 25.14 -19.21 79.23 25.98 -18.94 2 0 27.98 -999 ? OXT ACT D 203 >ARG~C 74 82.03 24.15 -12.04 83.30 22.11 -14.01 82.67 23.13 -13.03 2 0 20.91 -999 ? OXT ACT D 203 >VAL~C 75 81.22 29.80 -14.30 83.07 30.96 -14.26 82.15 30.38 -14.28 3 0 22.69 -999 ? OXT ACT D 203 >ASN~C 76 78.35 30.66 -18.18 76.92 32.00 -19.03 77.63 31.33 -18.60 2 0 29.92 -999 ? OXT ACT D 203 >ARG~C 77 75.10 25.56 -13.09 77.39 23.55 -13.55 76.24 24.56 -13.32 2 0 24.99 -999 ? OXT ACT D 203 >SER~C 78 76.89 30.42 -11.56 78.55 29.12 -10.50 77.72 29.77 -11.03 2 0 22.88 -999 ? OXT ACT D 203 >LEU~C 79 77.63 34.28 -14.20 79.28 35.65 -14.23 78.45 34.97 -14.21 3 0 26.82 -999 ? OXT ACT D 203 >ASN~C 80 72.84 32.54 -15.33 73.62 33.05 -17.21 73.23 32.79 -16.27 2 0 31.48 -999 ? OXT ACT D 203 >TYR~C 81 71.65 30.35 -9.04 70.11 29.95 -6.69 70.88 30.15 -7.87 3 0 28.86 -999 ? OXT ACT D 203 >GLY~C 82 73.57 34.63 -8.69 74.18 34.36 -9.23 73.87 34.50 -8.96 1 0 28.03 -999 ? OXT ACT D 203 >ASN~C 83 76.41 37.54 -10.83 75.06 39.03 -11.54 75.73 38.29 -11.18 2 0 29.86 -999 ? OXT ACT D 203 >ASP~C 84 74.95 39.59 -5.27 72.86 39.76 -5.71 73.91 39.68 -5.49 2 0 30.08 -999 ? OXT ACT D 203 >GLY~C 85 79.44 39.06 -5.40 79.18 39.31 -6.18 79.31 39.18 -5.79 1 0 24.42 -999 ? OXT ACT D 203 >TYR~C 86 81.59 37.23 -10.01 83.11 34.88 -10.07 82.35 36.06 -10.04 3 0 22.36 -999 ? OXT ACT D 203 >GLU~C 87 76.79 41.89 -10.88 74.80 42.42 -11.40 75.80 42.16 -11.14 2 0 31.82 -999 ? OXT ACT D 203 >MET?C 88 79.81 44.14 -6.40 80.10 43.55 -2.15 79.95 43.84 -4.27 2 0 26.38 -999 ? OXT ACT D 203 >VAL~C 89 83.53 43.78 -6.93 84.30 41.80 -6.38 83.92 42.79 -6.66 3 0 24.43 -999 ? OXT ACT D 203 >PHE~C 90 82.98 42.50 -12.05 83.69 39.83 -12.59 83.34 41.17 -12.32 3 0 25.97 -999 ? OXT ACT D 203 >SER~C 91 81.56 47.95 -9.86 79.21 47.47 -9.65 80.38 47.71 -9.76 2 0 31.62 -999 ? OXT ACT D 203 >ARG~C 92 83.28 47.69 -3.75 81.85 46.97 -1.13 82.57 47.33 -2.44 2 0 27.87 -999 ? OXT ACT D 203 >MET?C 93 87.04 47.90 -9.48 87.54 43.73 -9.72 87.29 45.82 -9.60 2 0 24.55 -999 ? OXT ACT D 203 >LYS~C 94 85.59 50.06 -12.31 83.48 47.19 -15.17 84.53 48.62 -13.74 2 0 31.56 -999 ? OXT ACT D 203 >GLU~C 95 82.90 53.08 -8.78 82.00 52.99 -6.86 82.45 53.04 -7.82 2 0 33.78 -999 ? OXT ACT D 203 >LYS~C 96 88.78 52.78 -8.68 89.57 49.92 -4.73 89.18 51.35 -6.71 2 0 27.64 -999 ? OXT ACT D 203 >GLU~C 97 90.59 51.27 -14.46 90.01 49.69 -15.76 90.30 50.48 -15.11 2 0 31.54 -999 ? OXT ACT D 203 >THR~C 98 88.75 55.86 -13.32 86.61 55.74 -12.94 87.68 55.80 -13.13 2 0 36.30 -999 ? OXT ACT D 203 >ILE.D 5 104.21 32.29 -10.97 104.76 30.79 -11.14 104.48 31.54 -11.05 3 0 14.94 -999 ? CH3 ACT D 203 >ARG.D 6 103.50 38.22 -8.25 104.69 38.69 -5.50 104.09 38.45 -6.87 2 0 16.40 -999 ? CH3 ACT D 203 >THR~D 7 99.79 36.63 -13.49 99.16 34.55 -13.51 99.47 35.59 -13.50 2 0 17.92 -999 ? CH3 ACT D 203 >GLU~D 8 95.64 40.17 -16.36 95.55 40.99 -18.32 95.60 40.58 -17.34 2 0 25.77 -999 ? OXT ACT D 203 >GLU~D 9 93.73 35.39 -15.80 95.48 35.59 -16.99 94.60 35.49 -16.39 2 0 21.49 -999 ? OXT ACT D 203 >VAL~D 10 95.81 36.53 -10.04 97.23 35.13 -9.01 96.52 35.83 -9.53 3 0 15.82 -999 ? OXT ACT D 203 >ASP~D 11 97.11 41.26 -10.71 99.13 40.69 -10.97 98.12 40.98 -10.84 2 0 20.31 -999 ? CH3 ACT D 203 >HIS~D 12 92.35 41.16 -13.34 92.90 41.96 -15.20 92.62 41.56 -14.27 3 0 23.75 -999 ? OXT ACT D 203 >LEU~D 13 91.86 36.95 -8.13 91.03 35.43 -6.86 91.44 36.19 -7.49 3 0 16.04 -999 ? OXT ACT D 203 >PHE~D 14 95.58 38.82 -5.04 96.75 36.31 -4.48 96.16 37.56 -4.76 3 0 14.72 -999 ? OXT ACT D 203 >GLU~D 15 93.63 44.61 -8.38 93.85 44.91 -10.51 93.74 44.76 -9.44 2 0 24.09 -999 ? OXT ACT D 203 >ALA~D 16 88.59 42.32 -6.10 87.96 41.18 -6.91 88.27 41.75 -6.51 2 0 21.17 -999 ? OXT ACT D 203 >ILE~D 17 90.45 39.68 -2.42 90.80 38.38 -2.01 90.62 39.03 -2.22 3 0 16.80 -999 ? OXT ACT D 203 >LEU~D 18 92.29 44.78 -2.21 94.28 44.11 -1.73 93.29 44.44 -1.97 3 0 21.00 -999 ? OXT ACT D 203 >CYH.D 19 87.78 45.98 -2.32 85.99 45.32 -4.33 86.88 45.65 -3.33 2 0 24.79 -999 ? OXT ACT D 203 >LEU.D 20 85.99 42.35 0.50 85.34 40.82 -0.97 85.66 41.59 -0.23 3 0 21.22 -999 ? OXT ACT D 203 >LYS.D 21 84.97 45.77 3.46 83.35 50.67 0.16 84.16 48.22 1.81 2 0 30.17 -999 ? OXT ACT D 203 >ASN~D 22 82.02 44.16 6.46 80.43 44.37 5.06 81.22 44.27 5.76 2 0 25.49 -999 ? CH3 ACT B 202 >LYS~D 23 82.56 39.74 6.54 81.36 38.60 11.46 81.96 39.17 9.00 2 0 20.70 -999 ? CH3 ACT B 202 >GLU~D 24 77.34 40.94 6.57 78.50 41.52 8.28 77.92 41.23 7.43 2 0 21.18 -999 ? CH3 ACT B 202 >GLU~D 25 80.46 43.59 1.63 81.27 45.48 1.12 80.87 44.54 1.38 2 0 26.92 -999 ? OXT ACT D 203 >CYH~D 26 83.25 38.24 1.96 85.49 39.19 3.39 84.37 38.71 2.68 2 0 19.50 -999 ? OXT ACT D 203 >TYR~D 27 79.68 34.94 4.45 80.58 33.75 6.84 80.13 34.34 5.64 3 0 20.80 -999 ? OXT ACT D 203 >THR~D 28 78.77 37.36 -0.91 77.47 39.00 -1.13 78.12 38.18 -1.02 2 0 25.17 -999 ? OXT ACT D 203 >PHE~D 29 84.29 38.03 -3.77 86.33 37.55 -5.67 85.31 37.79 -4.72 3 0 19.30 -999 ? OXT ACT D 203 >PHE~D 30 85.73 34.47 -0.62 88.11 35.94 -0.64 86.92 35.21 -0.63 3 0 15.52 -999 ? OXT ACT D 203 >GLU~D 31 79.14 31.81 0.02 77.51 32.44 1.23 78.32 32.12 0.63 2 0 21.80 -999 ? OXT ACT D 203 >ASP~D 32 80.20 34.88 -6.43 78.23 35.69 -6.59 79.22 35.28 -6.51 2 0 23.86 -999 ? OXT ACT D 203 >VAL~D 33 83.79 32.41 -6.59 85.38 33.84 -6.97 84.59 33.13 -6.78 3 0 17.70 -999 ? OXT ACT D 203 >CYH~D 34 84.36 29.21 -4.52 86.55 30.25 -3.16 85.46 29.73 -3.84 2 0 13.36 -999 ? OXT ACT D 203 >THR~D 35 82.26 26.15 -3.88 83.18 24.42 -4.76 82.72 25.28 -4.32 2 0 15.60 -999 ? OXT ACT D 203 >ILE~D 36 79.80 25.21 0.33 79.41 26.45 1.09 79.61 25.83 0.71 3 0 18.13 -999 ? OXT ACT D 203 >ASN~D 37 83.73 21.45 -0.71 82.07 20.15 -0.28 82.90 20.80 -0.50 2 0 16.14 -999 ? OXT ACT D 203 >GLU~D 38 87.03 24.89 -3.66 86.52 25.68 -5.60 86.77 25.29 -4.63 2 0 13.07 -999 ? OXT ACT D 203 >LEU~D 39 84.30 28.55 1.36 84.03 30.58 2.23 84.17 29.57 1.80 3 0 14.56 -999 ? OXT ACT D 203 >LEU~D 40 84.37 24.07 4.28 82.31 24.60 5.11 83.34 24.33 4.70 3 0 14.77 -999 ? OXT ACT D 203 >SER~D 41 88.79 23.74 3.15 90.39 22.97 1.56 89.59 23.35 2.36 2 0 7.38 -999 ? OXT ACT D 203 >LEU~D 42 90.07 28.49 2.53 90.58 28.26 0.48 90.33 28.37 1.50 3 0 8.48 -999 ? OXT ACT D 203 >SER~D 43 88.71 27.89 6.65 87.01 28.06 8.32 87.86 27.97 7.48 2 0 13.04 -999 ? O ACT D 203 >GLN~D 44 90.29 22.04 8.03 89.80 20.22 7.04 90.05 21.13 7.54 2 0 10.07 -999 ? O ACT D 203 >ARG~D 45 94.48 23.85 3.57 94.24 24.09 0.52 94.36 23.97 2.04 2 0 -3.46 -999 ? OXT ACT D 203s >PHE~D 46 92.88 31.22 8.90 93.57 33.65 10.15 93.22 32.44 9.53 3 0 11.71 -999 ? O ACT D 203 >GLU~D 47 90.26 26.28 13.43 88.34 25.39 13.67 89.30 25.84 13.55 2 0 14.55 -999 ? O ACT D 203 >VAL~D 48 94.77 24.54 11.70 95.19 22.67 10.63 94.98 23.61 11.17 3 0 8.71 -999 ? O ACT D 203 >ALA~D 49 97.41 27.26 11.33 97.53 28.30 10.26 97.47 27.78 10.79 2 0 8.36 -999 ? O ACT D 203 >LYS~D 50 96.08 29.08 14.41 95.98 33.95 16.26 96.03 31.51 15.34 2 0 16.63 -999 ? O ACT D 203 >MET?D 51 96.13 25.90 16.52 92.44 23.70 16.67 94.28 24.80 16.59 2 0 14.76 -999 ? O ACT D 203 >LEU~D 52 100.14 24.71 13.96 100.19 22.89 12.76 100.16 23.80 13.36 3 0 10.43 -999 ? O ACT D 203 >THR~D 53 100.93 28.34 16.44 100.16 29.97 15.16 100.55 29.16 15.80 2 0 13.57 -999 ? O ACT D 203 >ASP~D 54 97.61 27.54 19.97 96.54 29.35 19.68 97.07 28.45 19.82 2 0 17.49 -999 ? O ACT D 203 >LYS.D 55 101.26 24.47 19.95 106.32 28.00 22.23 103.79 26.24 21.09 2 0 21.13 -999 ? O ACT D 203 >ARG.D 56 96.48 23.98 21.89 95.09 23.24 24.53 95.79 23.61 23.21 2 0 21.67 -999 ? O ACT D 203 >THR~D 57 98.69 18.52 19.57 97.97 17.46 21.30 98.33 17.99 20.43 2 0 19.34 -999 ? O ACT D 203 >TYR~D 58 99.53 16.70 14.48 101.49 17.90 12.91 100.51 17.30 13.69 3 0 12.74 -999 ? O ACT D 203 >LEU~D 59 95.17 14.02 19.08 95.35 12.07 18.02 95.26 13.05 18.55 3 0 19.18 -999 ? O ACT D 203 >ASP~D 60 94.21 19.18 20.26 92.97 20.59 21.30 93.59 19.88 20.78 2 0 19.25 -999 ? O ACT D 203 >ILE~D 61 94.97 20.29 15.25 95.99 21.20 14.74 95.48 20.75 15.00 3 0 12.64 -999 ? O ACT D 203 >SER~D 62 92.10 16.96 14.10 93.61 15.32 13.25 92.85 16.14 13.67 2 0 14.15 -999 ? O ACT D 203 >GLU~D 63 88.14 16.47 18.90 88.40 16.22 20.97 88.27 16.34 19.93 2 0 21.84 -999 ? O ACT D 203 >LYS~D 64 88.55 20.51 16.51 86.51 25.08 16.38 87.53 22.80 16.44 2 0 17.75 -999 ? O ACT D 203 >THR~D 65 89.01 21.25 12.79 91.11 21.69 12.69 90.06 21.47 12.74 2 0 12.18 -999 ? O ACT D 203 >GLY~D 66 88.28 17.86 11.15 89.00 18.24 11.15 88.64 18.05 11.15 1 0 14.22 -999 ? O ACT D 203 >ALA.D 67 91.67 18.05 9.41 92.69 19.15 9.55 92.18 18.60 9.48 2 0 9.81 -999 ? O ACT D 203 >SER~D 68 93.57 14.90 8.48 94.21 15.18 6.18 93.89 15.04 7.33 2 0 10.20 -999 ? O ACT D 203 >THR~D 69 97.20 14.42 9.50 98.20 12.83 10.53 97.70 13.63 10.02 2 0 13.44 -999 ? O ACT D 203 >ALA~D 70 98.15 15.03 5.90 97.51 14.27 4.70 97.83 14.65 5.30 2 0 9.91 -999 ? O ACT D 203 >THR~D 71 96.39 18.44 5.98 94.37 19.10 5.64 95.38 18.77 5.81 2 0 6.77 -999 ? O ACT D 203 >ILE~D 72 97.71 18.70 10.65 97.13 18.59 11.89 97.42 18.64 11.27 3 0 9.81 -999 ? O ACT D 203 >SER~D 73 101.43 18.55 8.09 101.76 16.30 8.87 101.60 17.43 8.48 2 0 10.25 -999 ? O ACT D 203 >ARG~D 74 99.34 20.16 1.29 96.96 18.34 2.13 98.15 19.25 1.71 2 0 5.92 -999 ? O ACT D 203 >VAL~D 75 99.83 23.63 6.83 97.94 24.42 7.66 98.89 24.03 7.24 3 0 4.18 -999 ? O ACT D 203 >ASN~D 76 103.04 21.74 10.05 104.49 22.03 11.64 103.77 21.88 10.85 2 0 10.75 -999 ? O ACT D 203 >ARG~D 77 107.52 22.06 4.43 110.42 21.95 3.42 108.97 22.01 3.93 2 0 11.01 -999 ? CH3 ACT D 203 >SER~D 78 103.68 26.31 5.10 102.04 25.88 3.36 102.86 26.09 4.23 2 0 -3.19 -999 ? CH3 ACT D 203s >LEU~D 79 103.26 27.19 9.74 101.67 27.93 10.90 102.47 27.56 10.32 3 0 9.07 -999 ? O ACT D 203 >ASN~D 80 108.05 25.63 9.08 107.57 25.06 11.07 107.81 25.34 10.07 2 0 12.29 -999 ? O ACT D 203 >TYR~D 81 110.37 25.27 5.38 112.09 23.80 6.99 111.23 24.53 6.19 3 0 12.29 -999 ? CH3 ACT D 203 >GLY~D 82 106.39 29.62 3.60 106.98 29.95 4.09 106.68 29.79 3.85 1 0 8.51 -999 ? CH3 ACT D 203 >ASN.D 83 104.95 33.98 2.32 105.13 33.36 0.29 105.04 33.67 1.31 2 0 10.27 -999 ? CH3 ACT D 203 >ASP~D 84 106.26 34.73 7.63 107.89 33.46 8.25 107.08 34.09 7.94 2 0 13.78 -999 ? CH3 ACT D 203 >GLY~D 85 101.68 35.07 5.63 101.81 34.59 6.30 101.74 34.83 5.97 1 0 11.46 -999 ? CH3 ACT D 203 >TYR~D 86 99.24 30.84 7.97 97.95 28.89 6.49 98.60 29.87 7.23 3 0 7.15 -999 ? O ACT D 203 >GLU~D 87 103.93 35.04 12.78 102.80 33.67 14.02 103.37 34.36 13.40 2 0 15.25 -999 ? O ACT D 203 >MET?D 88 101.56 38.35 9.16 101.43 40.18 5.27 101.50 39.27 7.21 2 0 16.16 -999 ? CH3 ACT D 203 >VAL~D 89 97.73 38.25 9.51 96.73 37.04 7.91 97.23 37.64 8.71 3 0 14.76 -999 ? O ACT D 203 >PHE~D 90 98.05 34.34 13.09 97.09 31.86 12.15 97.57 33.10 12.62 3 0 13.16 -999 ? O ACT D 203 >SER~D 91 100.05 39.83 14.02 101.87 41.42 13.68 100.96 40.62 13.85 2 0 20.66 -999 ? O ACT D 203 >ARG~D 92 97.46 44.28 8.99 99.76 43.89 7.03 98.61 44.09 8.01 2 0 20.14 -999 ? CH3 ACT D 203 >MET?D 93 94.65 41.08 13.84 92.36 37.86 12.10 93.51 39.47 12.97 2 0 17.52 -999 ? O ACT D 203 >LYS~D 94 96.34 41.37 17.26 99.83 42.04 21.52 98.08 41.71 19.39 2 0 25.80 -999 ? O ACT D 203 >GLU~D 95 97.55 46.46 14.76 98.72 45.99 13.04 98.14 46.22 13.90 2 0 24.10 -999 ? O ACT D 203 >LYS~D 96 93.39 45.70 15.79 93.50 48.69 10.52 93.44 47.20 13.15 2 0 26.19 -999 ? O ACT D 203 >LYS.E 4 97.59 52.14 27.72 101.62 54.04 31.10 99.60 53.09 29.41 2 0 35.63 -999 ? OXT ACT F 201 >ILE.E 5 95.03 49.51 30.86 95.12 48.10 30.56 95.08 48.80 30.71 3 0 27.93 -999 ? OXT ACT F 201 >ARG.E 6 99.47 50.38 35.53 100.24 48.44 37.81 99.85 49.41 36.67 2 0 30.07 -999 ? OXT ACT F 201 >THR~E 7 96.15 55.63 34.31 94.85 55.69 32.57 95.50 55.66 33.44 2 0 31.36 -999 ? OXT ACT F 201 >GLU~E 8 94.17 59.56 38.56 94.46 61.65 38.58 94.32 60.60 38.57 2 0 34.43 -999 ? OXT ACT F 201 >GLU~E 9 90.60 58.88 34.10 92.53 59.75 33.93 91.57 59.31 34.02 2 0 32.58 -999 ? OXT ACT F 201 >VAL~E 10 91.66 53.19 35.61 92.32 51.78 34.08 91.99 52.48 34.85 3 0 26.60 -999 ? OXT ACT F 201 >ASP~E 11 94.05 54.35 39.76 96.06 53.84 39.31 95.05 54.10 39.53 2 0 29.63 -999 ? OXT ACT F 201 >HIS~E 12 89.91 57.47 40.20 91.21 59.03 40.74 90.56 58.25 40.47 3 0 29.28 -999 ? OXT ACT F 201 >LEU~E 13 87.83 51.86 37.05 86.60 50.37 36.02 87.22 51.11 36.53 3 0 22.15 -999 ? OXT ACT F 201 >PHE~E 14 91.57 48.70 38.83 92.18 47.51 36.39 91.88 48.10 37.61 3 0 23.02 -999 ? OXT ACT F 201 >GLU~E 15 90.77 53.43 44.13 90.85 55.54 44.47 90.81 54.49 44.30 2 0 27.35 -999 ? OXT ACT F 201 >ALA~E 16 85.49 51.07 43.01 84.70 51.57 41.79 85.10 51.32 42.40 2 0 20.46 -999 ? OXT ACT F 201 >ILE~E 17 86.54 46.74 40.97 86.58 46.07 39.73 86.56 46.40 40.35 3 0 17.58 -999 ? OXT ACT F 201 >LEU~E 18 89.33 47.24 45.65 91.22 46.45 44.89 90.28 46.84 45.27 3 0 20.87 -999 ? OXT ACT F 201 >CYH.E 19 85.11 48.24 47.49 85.49 50.93 47.59 85.30 49.59 47.54 2 0 21.14 -999 ? OXT ACT F 201 >LEU.E 20 82.47 44.92 44.98 81.73 46.01 43.23 82.10 45.46 44.10 3 0 14.10 -999 ? OXT ACT F 201 >LYS.E 21 82.01 43.29 49.36 81.36 47.58 52.90 81.69 45.44 51.13 2 0 18.91 -999 ? OXT ACT F 201 >ASN~E 22 79.19 40.00 49.07 77.63 41.49 49.12 78.41 40.75 49.10 2 0 10.98 -999 ? OXT ACT F 201 >LYS~E 23 78.81 38.58 44.90 75.20 34.10 44.43 77.00 36.34 44.66 2 0 -2.78 -999 ? OXT ACT F 201s >GLU~E 24 73.62 39.07 46.07 72.53 38.43 44.30 73.08 38.75 45.18 2 0 5.28 -999 ? OXT ACT F 201 >GLU~E 25 77.43 44.55 47.40 78.63 45.73 48.76 78.03 45.14 48.08 2 0 14.30 -999 ? OXT ACT F 201 >CYH~E 26 79.24 42.64 41.87 81.56 41.36 42.67 80.40 42.00 42.27 2 0 10.45 -999 ? OXT ACT F 201 >TYR~E 27 75.07 39.51 39.87 75.67 36.95 38.91 75.37 38.23 39.39 3 0 4.87 -999 ? O ACT F 201 >THR~E 28 74.67 45.34 41.16 73.88 46.17 42.99 74.27 45.76 42.07 2 0 12.19 -999 ? OXT ACT F 201 >PHE~E 29 80.13 48.11 40.17 82.08 49.80 39.00 81.10 48.95 39.59 3 0 16.61 -999 ? OXT ACT F 201 >PHE~E 30 81.00 44.07 37.31 83.61 44.40 38.34 82.30 44.23 37.83 3 0 13.66 -999 ? OXT ACT F 201 >GLU~E 31 72.81 44.49 35.19 70.94 43.76 35.98 71.87 44.13 35.58 2 0 10.72 -999 ? O ACT F 201 >ASP~E 32 75.36 49.75 36.97 73.49 50.03 37.94 74.43 49.89 37.45 2 0 16.11 -999 ? O ACT F 201 >VAL~E 33 78.70 49.39 34.15 80.16 49.18 35.78 79.43 49.29 34.97 3 0 17.31 -999 ? O ACT F 201 >CYH~E 34 78.66 46.68 31.46 80.89 45.41 32.57 79.78 46.05 32.02 2 0 15.76 -999 ? O ACT F 201 >THR~E 35 76.27 45.39 28.92 76.90 45.95 26.94 76.58 45.67 27.93 2 0 15.50 -999 ? CH3 ACT B 202 >ILE~E 36 73.56 41.35 28.73 72.60 40.42 29.57 73.08 40.89 29.15 3 0 10.71 -999 ? CH3 ACT B 202 >ASN~E 37 77.03 41.05 24.71 75.09 40.61 23.93 76.06 40.83 24.32 2 0 10.98 -999 ? CH3 ACT B 202 >GLU~E 38 80.47 44.77 26.97 80.52 46.84 27.51 80.50 45.81 27.24 2 0 19.03 -999 ? CH3 ACT B 202 >LEU~E 39 78.66 40.99 32.05 78.92 40.65 34.20 78.79 40.82 33.12 3 0 11.33 -999 ? O ACT F 201 >LEU~E 40 77.82 37.01 28.55 75.88 36.31 29.42 76.85 36.66 28.99 3 0 12.08 -999 ? O ACT F 201 >SER~E 41 82.20 37.69 27.22 83.75 38.71 25.64 82.98 38.20 26.43 2 0 18.65 -999 ? O ACT F 201 >LEU~E 42 84.32 39.22 31.31 85.21 41.17 31.06 84.76 40.19 31.18 3 0 16.03 -999 ? O ACT F 201 >SER~E 43 82.80 35.08 32.01 80.98 33.74 32.96 81.89 34.41 32.49 2 0 10.56 -999 ? CH3 ACT F 201 >GLN~E 44 83.25 32.36 26.36 82.61 32.82 24.37 82.93 32.59 25.37 2 0 18.28 -999 ? CH3 ACT B 202 >ARG~E 45 87.87 36.90 26.63 87.18 39.84 26.25 87.52 38.37 26.44 2 0 20.69 -999 ? O ACT F 201 >PHE~E 46 87.15 33.37 34.98 88.16 32.68 37.50 87.66 33.02 36.24 3 0 14.50 -999 ? CH3 ACT F 201 >GLU~E 47 83.99 27.80 31.61 81.95 27.24 31.31 82.97 27.52 31.46 2 0 13.15 -999 ? CH3 ACT F 201 >VAL~E 48 87.96 29.09 28.82 87.99 29.74 26.73 87.97 29.42 27.77 3 0 19.20 -999 ? CH3 ACT F 201 >ALA~E 49 91.04 30.01 30.89 91.28 31.30 31.64 91.16 30.66 31.26 2 0 19.58 -999 ? CH3 ACT F 201 >LYS~E 50 90.00 27.41 33.48 91.62 25.10 37.57 90.81 26.26 35.52 2 0 19.27 -999 ? CH3 ACT F 201 >MET?E 51 89.47 24.58 30.92 85.50 24.38 29.31 87.48 24.48 30.11 2 0 17.86 -999 ? CH3 ACT F 201 >LEU~E 52 93.16 26.71 28.48 92.93 27.42 26.39 93.04 27.06 27.43 3 0 23.74 -999 ? CH3 ACT F 201 >THR~E 53 94.62 25.16 32.43 94.94 26.60 34.05 94.78 25.88 33.24 2 0 22.70 -999 ? CH3 ACT F 201 >ASP~E 54 91.31 21.75 33.38 90.91 22.59 35.32 91.11 22.17 34.35 2 0 20.14 -999 ? CH3 ACT F 201 >LYS.E 55 94.23 20.51 29.67 98.33 22.33 30.19 96.28 21.42 29.93 2 0 27.14 -999 ? O ACT D 203 >ARG.E 56 88.83 19.12 29.79 85.82 18.57 29.60 87.33 18.84 29.70 2 0 21.02 -999 ? CH3 ACT F 201 >THR~E 57 90.81 20.08 23.99 90.01 18.14 23.51 90.41 19.11 23.75 2 0 22.78 -999 ? O ACT D 203 >TYR~E 58 91.41 24.67 20.89 93.51 26.47 21.35 92.46 25.57 21.12 3 0 18.98 -999 ? O ACT D 203 >LEU~E 59 86.46 19.70 20.11 84.59 19.26 18.99 85.53 19.48 19.55 3 0 21.28 -999 ? O ACT D 203 >ASP~E 60 86.33 19.60 25.61 86.29 17.51 25.26 86.31 18.56 25.43 2 0 24.42 -999 ? CH3 ACT F 201 >ILE~E 61 87.38 24.79 25.26 88.46 25.47 25.79 87.92 25.13 25.52 3 0 21.67 -999 ? CH3 ACT F 201 >SER~E 62 84.08 25.16 22.29 83.64 25.58 20.01 83.86 25.37 21.15 2 0 22.27 -999 ? CH3 ACT B 202 >GLU~E 63 81.71 20.85 21.56 81.39 18.81 21.13 81.55 19.83 21.35 2 0 24.62 -999 ? CH3 ACT F 201 >LYS~E 64 81.00 23.76 26.72 80.21 24.48 31.80 80.60 24.12 29.26 2 0 13.14 -999 ? CH3 ACT F 201 >THR~E 65 81.53 27.53 26.37 83.65 27.77 26.64 82.59 27.65 26.51 2 0 17.51 -999 ? CH3 ACT F 201 >GLY~E 66 80.55 28.30 22.73 81.28 28.38 23.09 80.92 28.34 22.91 1 0 17.96 -999 ? CH3 ACT B 202 >ALA.E 67 84.01 29.94 22.28 85.18 29.99 23.34 84.59 29.97 22.81 2 0 20.68 -999 ? CH3 ACT F 201 >SER~E 68 85.47 29.95 18.73 86.10 32.23 18.26 85.79 31.09 18.50 2 0 21.09 -999 ? O ACT D 203 >THR~E 69 89.06 29.00 18.05 90.18 27.60 16.87 89.62 28.30 17.46 2 0 16.35 -999 ? O ACT D 203 >ALA~E 70 90.04 32.68 17.74 89.44 33.74 16.85 89.74 33.21 17.29 2 0 18.99 -999 ? O ACT D 203 >THR~E 71 88.57 33.30 21.22 86.60 33.86 22.05 87.58 33.58 21.63 2 0 22.08 -999 ? CH3 ACT B 202 >ILE~E 72 89.95 28.78 22.44 89.49 27.46 22.65 89.72 28.12 22.55 3 0 21.62 -999 ? O ACT D 203 >SER~E 73 93.56 31.13 21.18 95.06 31.72 19.39 94.31 31.42 20.28 2 0 18.28 -999 ? O ACT D 203 >ARG~E 74 91.75 38.09 22.25 90.25 37.43 19.62 91.00 37.76 20.93 2 0 22.72 -999 ? O ACT D 203 >VAL~E 75 92.75 33.35 26.14 91.02 32.75 27.34 91.88 33.05 26.74 3 0 22.73 -999 ? CH3 ACT F 201 >ASN~E 76 95.68 29.79 24.51 97.24 28.38 24.84 96.46 29.08 24.68 2 0 22.18 -999 ? O ACT D 203 >ARG~E 77 98.74 36.29 22.11 97.07 38.88 21.92 97.90 37.58 22.01 2 0 23.99 -999 ? O ACT D 203 >SER~E 78 97.13 35.51 28.04 95.39 37.08 27.67 96.26 36.29 27.85 2 0 25.61 -999 ? CH3 ACT F 201 >LEU~E 79 97.03 30.96 29.71 95.49 30.10 30.98 96.26 30.53 30.34 3 0 24.66 -999 ? CH3 ACT F 201 >ASN~E 80 101.21 30.91 27.17 100.50 28.94 27.55 100.85 29.92 27.36 2 0 25.03 -999 ? O ACT D 203 >TYR~E 81 103.11 34.60 25.39 104.31 32.65 23.73 103.71 33.62 24.56 3 0 24.12 -999 ? O ACT D 203 >GLY~E 82 100.40 37.44 30.17 100.98 36.95 30.51 100.69 37.19 30.34 1 0 28.93 -999 ? OXT ACT F 201 >ASN.E 83 99.78 39.59 34.31 100.03 41.29 33.10 99.91 40.44 33.71 2 0 28.26 -999 ? OXT ACT F 201 >ASP~E 84 101.02 34.59 36.23 102.53 33.81 34.98 101.77 34.20 35.61 2 0 29.19 -999 ? OXT ACT F 201 >GLY~E 85 96.61 36.78 36.65 96.65 36.00 36.36 96.63 36.39 36.51 1 0 23.20 -999 ? OXT ACT F 201 >TYR~E 86 93.41 33.70 33.53 91.75 34.92 31.61 92.58 34.31 32.57 3 0 20.49 -999 ? CH3 ACT F 201 >GLU~E 87 99.10 30.52 38.52 101.17 30.31 38.08 100.13 30.42 38.30 2 0 27.47 -999 ? CH3 ACT F 201 >MET?E 88 96.87 33.99 40.75 97.22 38.28 41.61 97.04 36.14 41.18 2 0 23.45 -999 ? OXT ACT F 201 >VAL~E 89 93.07 33.83 41.19 92.02 35.21 39.81 92.54 34.52 40.50 3 0 18.44 -999 ? OXT ACT F 201 >PHE~E 90 92.66 29.60 38.00 91.48 30.14 35.54 92.07 29.87 36.77 3 0 18.71 -999 ? CH3 ACT F 201 >SER~E 91 95.13 29.27 43.43 97.12 30.50 42.80 96.12 29.89 43.12 2 0 23.25 -999 ? OXT ACT F 201 >ARG~E 92 94.17 35.28 45.88 95.92 37.80 45.67 95.04 36.54 45.77 2 0 22.41 -999 ? OXT ACT F 201 >MET?E 93 89.92 29.98 44.85 88.50 31.93 41.36 89.21 30.96 43.11 2 0 14.51 -999 ? OXT ACT F 201 >LYS~E 94 91.60 26.59 45.37 96.76 25.87 43.58 94.18 26.23 44.47 2 0 23.88 -999 ? CH3 ACT F 201 >GLU~E 95 94.81 28.84 48.92 95.69 30.79 48.91 95.25 29.81 48.92 2 0 22.89 -999 ? OXT ACT F 201 >LYS~E 96 89.02 28.92 49.74 84.86 32.03 49.05 86.94 30.48 49.39 2 0 13.05 -999 ? OXT ACT F 201 >GLU~E 97 86.88 24.76 46.10 86.35 22.72 46.27 86.62 23.74 46.19 2 0 16.54 -999 ? CH3 ACT F 201 >THR~E 98 89.78 23.58 50.92 91.94 24.08 50.78 90.86 23.83 50.85 2 0 22.21 -999 ? CH3 ACT F 201 >ALA~E 99 87.60 24.70 53.94 86.12 24.86 53.60 86.86 24.78 53.77 2 0 19.11 -999 ? OXT ACT F 201 >LYS.F 3 70.41 37.33 27.91 65.81 39.54 24.85 68.11 38.44 26.38 2 0 -3.10 -999 ? CH3 ACT B 202s >LYS.F 4 70.75 35.74 31.40 70.17 30.67 34.90 70.46 33.20 33.15 2 0 6.82 -999 ? O ACT F 201 >ILE.F 5 74.08 38.55 33.76 73.91 39.93 33.74 74.00 39.24 33.75 3 0 8.26 -999 ? O ACT F 201 >ARG.F 6 70.31 37.51 38.99 71.42 37.37 41.89 70.86 37.44 40.44 2 0 -4.04 -999 ? O ACT F 201s >THR~F 7 74.72 32.18 36.19 75.16 32.69 34.15 74.94 32.44 35.17 2 0 6.52 -999 ? O ACT F 201 >GLU~F 8 76.57 27.86 38.86 77.24 25.90 39.29 76.91 26.88 39.08 2 0 7.03 -999 ? CH3 ACT F 201 >GLU~F 9 79.83 29.62 33.23 78.12 28.47 33.67 78.98 29.05 33.45 2 0 8.80 -999 ? CH3 ACT F 201 >VAL~F 10 79.49 34.85 36.12 78.28 36.49 35.30 78.88 35.67 35.71 3 0 7.56 -999 ? O ACT F 201 >ASP~F 11 78.73 32.67 40.53 76.62 33.06 40.72 77.67 32.86 40.63 2 0 -2.88 -999 ? OXT ACT F 201s >HIS~F 12 82.55 29.78 38.82 81.48 28.07 39.44 82.02 28.92 39.13 3 0 8.81 -999 ? CH3 ACT F 201 >LEU~F 13 83.62 36.03 36.27 84.44 37.72 35.24 84.03 36.87 35.75 3 0 11.95 -999 ? OXT ACT F 201 >PHE~F 14 80.65 38.52 39.85 79.17 40.12 38.05 79.91 39.32 38.95 3 0 8.33 -999 ? OXT ACT F 201 >GLU~F 15 85.12 33.01 44.22 84.77 30.91 44.35 84.94 31.96 44.29 2 0 11.34 -999 ? OXT ACT F 201 >ALA~F 16 87.88 35.85 41.17 88.24 35.53 39.70 88.06 35.69 40.44 2 0 14.32 -999 ? OXT ACT F 201 >ILE~F 17 86.17 40.37 40.40 85.66 41.25 39.42 85.92 40.81 39.91 3 0 13.71 -999 ? OXT ACT F 201 >LEU~F 18 85.23 38.87 45.59 83.17 39.65 45.62 84.20 39.26 45.60 3 0 11.93 -999 ? OXT ACT F 201 >CYH.F 19 89.83 37.75 45.60 89.75 34.97 45.29 89.79 36.36 45.44 2 0 16.00 -999 ? OXT ACT F 201 >LEU.F 20 91.51 41.51 43.04 91.56 40.77 40.96 91.54 41.14 42.00 3 0 18.77 -999 ? OXT ACT F 201 >LYS.F 21 93.14 42.85 47.17 95.57 37.94 49.45 94.36 40.40 48.31 2 0 23.06 -999 ? OXT ACT F 201 >ASN~F 22 96.18 46.09 46.38 97.59 44.62 45.71 96.88 45.35 46.04 2 0 26.00 -999 ? OXT ACT F 201 >LYS~F 23 95.13 48.05 42.50 97.83 52.88 42.62 96.48 50.47 42.56 2 0 30.27 -999 ? OXT ACT F 201 >GLU~F 24 100.37 47.12 42.58 100.70 48.20 40.75 100.53 47.66 41.67 2 0 30.10 -999 ? OXT ACT F 201 >GLU~F 25 97.01 41.68 43.69 96.39 40.38 45.24 96.70 41.03 44.46 2 0 23.37 -999 ? OXT ACT F 201 >CYH~F 26 93.54 44.42 39.56 91.71 45.46 41.38 92.63 44.94 40.47 2 0 20.95 -999 ? OXT ACT F 201 >TYR~F 27 96.74 47.85 36.79 95.88 50.52 36.52 96.31 49.18 36.65 3 0 27.34 -999 ? OXT ACT F 201 >THR~F 28 97.44 41.90 36.86 98.77 40.88 38.22 98.11 41.39 37.54 2 0 25.80 -999 ? OXT ACT F 201 >PHE~F 29 91.86 39.11 37.18 89.59 37.62 36.50 90.72 38.36 36.84 3 0 17.84 -999 ? OXT ACT F 201 >PHE~F 30 90.22 43.71 35.72 88.04 43.25 37.38 89.13 43.48 36.55 3 0 18.48 -999 ? OXT ACT F 201 >GLU~F 31 96.68 44.92 32.39 98.52 45.35 33.35 97.60 45.13 32.87 2 0 28.17 -999 ? OXT ACT F 201 >ASP~F 32 95.13 38.21 32.31 97.21 37.96 32.66 96.17 38.08 32.48 2 0 25.13 -999 ? OXT ACT F 201 >VAL~F 33 91.00 39.10 30.97 89.58 38.24 32.42 90.29 38.67 31.69 3 0 19.62 -999 ? OXT ACT F 201 >CYH~F 34 90.27 42.35 29.06 88.58 43.30 31.00 89.42 42.82 30.03 2 0 20.29 -999 ? OXT ACT F 201 >THR~F 35 91.62 44.02 25.94 90.15 43.89 24.37 90.88 43.95 25.15 2 0 25.30 -999 ? O ACT F 201 >ILE~F 36 94.25 48.14 25.52 95.55 48.65 25.38 94.90 48.39 25.45 3 0 30.03 -999 ? O ACT F 201 >ASN~F 37 89.38 48.72 23.15 90.30 49.91 21.60 89.84 49.31 22.37 2 0 28.74 -999 ? CH3 ACT B 202 >GLU~F 38 86.64 44.95 25.94 87.04 42.86 26.07 86.84 43.91 26.01 2 0 21.75 -999 ? O ACT F 201 >LEU~F 39 90.59 47.86 30.59 91.07 47.49 32.70 90.83 47.67 31.64 3 0 23.84 -999 ? OXT ACT F 201 >LEU~F 40 90.24 52.31 27.59 92.33 52.98 27.90 91.29 52.64 27.75 3 0 28.88 -999 ? O ACT F 201 >SER~F 41 85.67 51.83 27.86 85.44 50.90 25.68 85.56 51.36 26.77 2 0 25.06 -999 ? CH3 ACT B 202 >LEU~F 42 85.11 49.51 32.11 84.18 47.55 31.83 84.65 48.53 31.97 3 0 20.30 -999 ? O ACT F 201 >SER~F 43 87.01 53.36 32.90 88.96 54.58 33.31 87.99 53.97 33.10 2 0 26.73 -999 ? OXT ACT F 201 >GLN~F 44 85.01 57.39 28.59 85.01 57.54 26.48 85.01 57.47 27.54 2 0 29.07 -999 ? CH3 ACT B 202 >ARG~F 45 80.21 51.98 29.85 81.13 49.38 28.47 80.67 50.68 29.16 2 0 20.89 -999 ? O ACT F 201 >PHE~F 46 84.01 54.41 37.48 83.93 54.51 40.31 83.97 54.46 38.90 3 0 22.85 -999 ? OXT ACT F 201 >GLU~F 47 86.32 60.53 34.67 87.79 61.52 33.49 87.05 61.02 34.08 2 0 31.80 -999 ? OXT ACT F 201 >VAL~F 48 81.33 59.81 32.95 80.57 59.55 30.88 80.95 59.68 31.92 3 0 28.05 -999 ? O ACT F 201 >ALA~F 49 79.06 58.52 35.81 79.05 57.09 36.33 79.06 57.80 36.07 2 0 24.10 -999 ? O ACT F 201 >LYS~F 50 81.01 60.53 38.37 81.22 61.94 43.11 81.12 61.23 40.74 2 0 28.82 -999 ? OXT ACT F 201 >MET?F 51 80.69 63.72 36.33 83.95 64.46 33.71 82.32 64.09 35.02 2 0 32.94 -999 ? O ACT F 201 >LEU~F 52 76.41 61.86 34.89 75.76 61.80 32.80 76.09 61.83 33.85 3 0 28.62 -999 ? O ACT F 201 >THR~F 53 76.35 62.68 39.33 77.36 60.95 40.23 76.85 61.81 39.78 2 0 27.15 -999 ? OXT ACT F 201 >ASP~F 54 79.98 65.85 39.85 80.87 65.18 41.63 80.42 65.52 40.74 2 0 31.87 -999 ? OXT ACT F 201 >LYS.F 55 75.92 67.62 37.70 71.33 67.14 37.28 73.62 67.38 37.49 2 0 33.22 -999 ? O ACT F 201 >ARG.F 56 81.59 69.67 35.47 84.54 70.35 34.86 83.06 70.01 35.16 2 0 38.41 -999 ? OXT ACT F 201 >THR~F 57 77.53 69.31 31.65 78.00 70.96 30.33 77.76 70.14 30.99 2 0 37.19 -999 ? CH3 ACT B 202 >TYR~F 58 75.48 65.62 27.81 73.72 63.39 28.12 74.60 64.51 27.97 3 0 29.66 -999 ? CH3 ACT B 202 >LEU~F 59 79.72 70.93 26.58 81.47 71.84 25.50 80.60 71.39 26.04 3 0 38.07 -999 ? CH3 ACT B 202 >ASP~F 60 82.17 69.76 31.28 82.15 71.84 31.72 82.16 70.80 31.50 2 0 39.76 -999 ? O ACT F 201 >ILE~F 61 80.72 64.87 30.29 79.93 64.10 31.14 80.33 64.49 30.72 3 0 32.48 -999 ? CH3 ACT B 202 >SER~F 62 82.62 65.08 26.15 81.83 64.92 23.85 82.22 65.00 25.00 2 0 32.85 -999 ? CH3 ACT B 202 >GLU~F 63 86.45 69.80 26.14 85.59 71.71 25.73 86.02 70.76 25.94 2 0 40.66 -999 ? CH3 ACT B 202 >LYS~F 64 87.30 65.73 29.52 91.01 65.41 33.69 89.16 65.57 31.60 2 0 36.54 -999 ? OXT ACT F 201 >THR~F 65 86.63 62.09 28.63 84.77 61.71 29.65 85.70 61.90 29.14 2 0 31.82 -999 ? O ACT F 201 >GLY~F 66 86.02 62.38 24.92 85.61 61.99 25.51 85.82 62.18 25.21 1 0 33.23 -999 ? CH3 ACT B 202 >ALA.F 67 82.88 60.24 25.38 82.17 59.93 26.67 82.52 60.08 26.03 2 0 29.06 -999 ? CH3 ACT B 202 >SER~F 68 80.37 60.29 22.47 79.91 57.92 22.21 80.14 59.10 22.34 2 0 25.99 -999 ? CH3 ACT B 202 >THR~F 69 76.84 61.52 23.21 75.62 63.08 22.40 76.23 62.30 22.80 2 0 28.42 -999 ? CH3 ACT B 202 >ALA~F 70 75.63 57.94 22.86 75.90 57.05 21.68 75.76 57.50 22.27 2 0 23.16 -999 ? CH3 ACT B 202 >THR~F 71 78.08 56.84 25.58 80.14 56.28 25.73 79.11 56.56 25.65 2 0 24.85 -999 ? CH3 ACT B 202 >ILE~F 72 77.31 61.09 27.71 77.97 62.28 27.77 77.64 61.68 27.74 3 0 28.26 -999 ? CH3 ACT B 202 >SER~F 73 73.43 58.84 27.26 71.41 58.46 25.96 72.42 58.65 26.61 2 0 22.73 -999 ? CH3 ACT B 202 >ARG~F 74 74.86 52.53 25.40 73.14 52.26 22.83 74.00 52.39 24.11 2 0 17.56 -999 ? CH3 ACT B 202 >VAL~F 75 75.59 55.89 31.43 77.64 56.43 32.02 76.61 56.16 31.72 3 0 23.90 -999 ? O ACT F 201 >ASN~F 76 72.55 59.68 31.53 71.49 61.12 32.66 72.02 60.40 32.09 2 0 26.53 -999 ? OXT ACT B 202 >ARG~F 77 67.55 54.99 29.75 67.21 56.02 26.89 67.38 55.51 28.32 2 0 19.33 -999 ? OXT ACT B 202 >SER~F 78 72.09 53.52 34.04 73.76 52.29 32.87 72.93 52.90 33.46 2 0 19.61 -999 ? O ACT F 201 >LEU~F 79 72.79 57.64 36.54 74.85 57.99 37.02 73.82 57.82 36.78 3 0 23.98 -999 ? O ACT F 201 >ASN~F 80 67.84 57.58 34.96 68.43 59.59 34.75 68.13 58.58 34.85 2 0 25.00 -999 ? OXT ACT B 202 >TYR~F 81 65.56 54.53 33.93 64.44 56.86 32.88 65.00 55.69 33.41 3 0 20.37 -999 ? OXT ACT B 202 >GLY~F 82 69.65 50.97 36.88 69.24 51.35 37.44 69.45 51.16 37.16 1 0 17.51 -999 ? O ACT F 201 >ASN.F 83 71.64 48.04 39.99 70.99 46.59 38.59 71.32 47.32 39.29 2 0 12.76 -999 ? O ACT F 201 >ASP~F 84 71.41 52.56 43.04 69.68 53.65 42.48 70.54 53.10 42.76 2 0 19.98 -999 ? O ACT F 201 >GLY~F 85 75.65 50.44 41.54 75.49 51.24 41.46 75.57 50.84 41.50 1 0 16.48 -999 ? OXT ACT F 201 >TYR~F 86 77.54 54.25 38.18 78.24 53.46 35.56 77.89 53.86 36.87 3 0 20.64 -999 ? O ACT F 201 >GLU~F 87 73.98 56.27 45.14 71.84 56.22 45.30 72.91 56.25 45.22 2 0 22.58 -999 ? OXT ACT F 201 >MET?F 88 76.77 52.48 45.88 76.69 48.17 46.09 76.73 50.32 45.99 2 0 14.97 -999 ? OXT ACT F 201 >VAL~F 89 80.54 52.64 45.16 81.01 51.63 43.31 80.77 52.14 44.23 3 0 19.42 -999 ? OXT ACT F 201 >PHE~F 90 80.05 57.41 42.86 80.50 57.28 40.09 80.27 57.34 41.47 3 0 24.10 -999 ? OXT ACT F 201 >SER~F 91 79.30 56.38 48.74 76.91 56.03 48.60 78.11 56.20 48.67 2 0 23.18 -999 ? OXT ACT F 201 >ARG~F 92 81.40 50.14 49.92 79.20 48.06 49.61 80.30 49.10 49.77 2 0 16.80 -999 ? OXT ACT F 201 >MET?F 93 84.89 55.56 48.27 85.19 54.72 44.19 85.04 55.14 46.23 2 0 23.56 -999 ? OXT ACT F 201 >LYS~F 94 83.69 58.81 49.85 80.48 60.88 46.28 82.09 59.85 48.07 2 0 27.94 -999 ? OXT ACT F 201 >GLU~F 95 81.73 55.97 53.81 81.01 54.05 53.23 81.37 55.01 53.52 2 0 24.02 -999 ? OXT ACT F 201 >LYS~F 96 87.64 57.60 53.24 88.16 59.77 57.47 87.90 58.68 55.36 2 0 33.20 -999 ? OXT ACT F 201 >ARG~G 6 63.74 51.53 38.09 65.19 53.67 39.83 64.46 52.60 38.96 2 0 21.07 -999 ? O ACT F 201 >THR~G 7 63.21 50.30 31.87 65.10 50.54 30.75 64.15 50.42 31.31 2 0 14.65 -999 ? OXT ACT B 202 >GLU~G 8 62.66 45.36 30.41 64.06 46.05 31.93 63.36 45.70 31.17 2 0 11.29 -999 ? OXT ACT B 202 >GLU~G 9 57.87 47.12 34.04 56.77 45.62 32.93 57.32 46.37 33.49 2 0 12.98 -999 ? OXT ACT B 202 >VAL~G 10 58.71 52.45 30.99 59.95 54.10 31.82 59.33 53.27 31.40 3 0 17.54 -999 ? OXT ACT B 202 >ASP~G 11 60.05 49.86 27.05 62.14 50.29 26.99 61.10 50.08 27.02 2 0 13.14 -999 ? OXT ACT B 202 >HIS~G 12 53.92 47.97 28.41 52.11 46.93 28.17 53.01 47.45 28.29 3 0 14.41 -999 ? OXT ACT B 202 >LEU~G 13 54.57 53.80 29.72 53.62 55.74 30.27 54.10 54.77 30.00 3 0 20.10 -999 ? OXT ACT B 202 >PHE~G 14 58.28 55.69 26.44 59.44 57.46 28.28 58.86 56.57 27.36 3 0 19.77 -999 ? OXT ACT B 202 >GLU~G 15 55.64 49.55 22.45 57.66 49.30 23.06 56.65 49.43 22.76 2 0 13.11 -999 ? OXT ACT B 202 >ALA~G 16 51.42 52.93 24.13 50.82 52.85 25.54 51.12 52.89 24.84 2 0 19.55 -999 ? OXT ACT B 202 >ILE~G 17 53.13 57.49 24.52 53.46 58.51 25.42 53.29 58.00 24.97 3 0 22.70 -999 ? OXT ACT B 202 >LEU~G 18 55.02 55.06 20.11 57.08 55.99 20.13 56.05 55.52 20.12 3 0 19.95 -999 ? OXT ACT B 202 >CYH.G 19 50.50 54.13 19.12 50.67 51.43 19.81 50.59 52.78 19.46 2 0 19.21 -999 ? OXT ACT B 202 >LEU.G 20 48.61 58.38 20.64 47.98 58.01 22.75 48.30 58.20 21.70 3 0 25.55 -999 ? OXT ACT B 202 >LYS.G 21 47.57 58.88 16.09 43.71 55.71 14.41 45.64 57.30 15.25 2 0 28.43 -999 ? OXT ACT B 202 >ASN~G 22 44.61 62.23 15.77 43.02 60.97 16.42 43.81 61.60 16.09 2 0 31.90 -999 ? OXT ACT B 202 >LYS~G 23 45.03 64.72 19.42 43.21 68.93 18.11 44.12 66.82 18.77 2 0 37.73 -999 ? OXT ACT B 202 >GLU~G 24 39.36 62.19 19.72 38.53 63.54 21.11 38.94 62.87 20.41 2 0 35.85 -999 ? OXT ACT B 202 >GLU~G 25 43.12 58.31 18.94 44.17 56.99 17.63 43.64 57.65 18.28 2 0 27.97 -999 ? OXT ACT B 202 >CYH~G 26 45.81 61.75 23.27 48.09 62.46 21.70 46.95 62.11 22.49 2 0 29.24 -999 ? OXT ACT B 202 >TYR~G 27 42.13 65.64 24.64 42.90 68.36 24.45 42.52 67.00 24.55 3 0 35.88 -999 ? OXT ACT B 202 >THR~G 28 41.48 59.77 25.54 40.43 58.53 24.15 40.95 59.15 24.84 2 0 30.75 -999 ? OXT ACT B 202 >PHE~G 29 46.94 57.06 26.70 48.92 55.71 28.17 47.93 56.38 27.44 3 0 24.24 -999 ? OXT ACT B 202 >PHE~G 30 48.45 61.79 27.68 50.88 60.93 26.47 49.66 61.36 27.08 3 0 27.42 -999 ? OXT ACT B 202 >GLU~G 31 41.81 63.71 29.45 39.95 64.20 28.65 40.88 63.96 29.05 2 0 35.40 -999 ? OXT ACT B 202 >ASP~G 32 42.77 57.11 31.03 40.77 56.89 30.42 41.77 57.00 30.73 2 0 29.90 -999 ? OXT ACT B 202 >VAL~G 33 46.66 57.93 32.94 48.71 57.58 32.02 47.69 57.76 32.48 3 0 26.46 -999 ? OXT ACT B 202 >CYH~G 34 47.20 61.46 34.47 49.08 62.31 32.67 48.14 61.89 33.57 2 0 29.50 -999 ? OXT ACT B 202 >THR~G 35 45.14 63.37 36.97 46.19 63.74 38.85 45.66 63.55 37.91 2 0 34.12 -999 ? OXT ACT B 202 >ILE~G 36 42.25 67.33 36.26 40.96 67.78 36.18 41.60 67.55 36.22 3 0 38.56 -999 ? OXT ACT B 202 >ASN~G 37 46.38 68.80 39.16 44.73 69.85 40.08 45.56 69.32 39.62 2 0 40.13 -999 ? OXT ACT B 202 >GLU~G 38 49.70 64.50 37.85 49.46 62.39 38.19 49.58 63.45 38.02 2 0 31.30 -999 ? OXT ACT B 202 >LEU~G 39 46.70 66.36 32.00 46.51 65.99 29.80 46.60 66.18 30.90 3 0 33.57 -999 ? OXT ACT B 202 >LEU~G 40 46.65 71.35 34.02 44.57 71.72 33.40 45.61 71.54 33.71 3 0 39.24 -999 ? OXT ACT B 202 >SER~G 41 51.04 70.68 34.76 52.81 70.21 36.24 51.93 70.44 35.50 2 0 36.15 -999 ? OXT ACT B 202 >LEU~G 42 52.17 67.56 31.03 52.93 65.63 31.50 52.55 66.59 31.26 3 0 31.62 -999 ? OXT ACT B 202 >SER~G 43 50.90 71.30 29.29 49.06 72.42 28.17 49.98 71.86 28.73 2 0 37.78 -999 ? OXT ACT B 202 >GLN~G 44 52.35 75.68 33.58 51.85 75.79 35.67 52.10 75.73 34.63 2 0 41.38 -999 ? OXT ACT B 202 >ARG~G 45 56.32 70.33 33.69 56.33 68.34 36.04 56.32 69.33 34.87 2 0 33.56 -999 ? OXT ACT B 202 >PHE~G 46 55.04 71.65 25.39 55.77 71.39 22.70 55.40 71.52 24.04 3 0 34.96 -999 ? OXT ACT B 202 >GLU~G 47 52.06 77.96 26.96 50.07 78.52 27.52 51.07 78.24 27.24 2 0 43.16 -999 ? OXT ACT B 202 >VAL~G 48 56.56 77.78 29.46 56.98 77.81 31.58 56.77 77.79 30.52 3 0 41.28 -999 ? OXT ACT B 202 >ALA~G 49 59.33 76.18 27.39 59.58 74.68 27.16 59.46 75.43 27.28 2 0 37.54 -999 ? OXT ACT B 202 >LYS~G 50 57.92 77.65 24.19 57.84 76.71 19.08 57.88 77.18 21.64 2 0 40.10 -999 ? OXT ACT B 202 >MET?G 51 57.65 81.14 25.77 53.88 82.19 27.55 55.77 81.66 26.66 2 0 45.79 -999 ? OXT ACT B 202 >LEU~G 52 61.69 79.81 28.20 61.90 80.07 30.37 61.80 79.94 29.28 3 0 42.84 -999 ? OXT ACT B 202 >THR~G 53 62.47 80.11 23.74 62.64 78.33 22.52 62.55 79.22 23.13 2 0 41.06 -999 ? OXT ACT B 202 >ASP~G 54 59.02 83.37 22.59 58.01 82.19 21.13 58.51 82.78 21.86 2 0 45.26 -999 ? OXT ACT B 202 >LYS.G 55 62.51 85.24 25.23 66.82 83.28 25.80 64.67 84.26 25.51 2 0 46.13 -999 ? OXT ACT B 202 >ARG.G 56 57.68 86.64 24.56 56.15 89.24 24.00 56.91 87.94 24.28 2 0 52.32 -999 ? OXT ACT B 202 >THR~G 57 59.60 87.64 30.76 58.85 89.72 30.80 59.23 88.68 30.78 2 0 52.86 -999 ? OXT ACT B 202 >TYR~G 58 60.59 84.54 35.13 62.74 82.71 35.12 61.67 83.63 35.12 3 0 47.42 -999 ? OXT ACT B 202 >LEU~G 59 55.49 89.22 34.85 53.64 90.05 35.86 54.56 89.63 35.36 3 0 53.95 -999 ? OXT ACT B 202 >ASP~G 60 55.12 87.86 29.69 54.16 87.63 27.79 54.64 87.75 28.74 2 0 51.10 -999 ? OXT ACT B 202 >ILE~G 61 56.28 82.93 31.30 57.33 82.04 30.91 56.81 82.48 31.10 3 0 45.95 -999 ? OXT ACT B 202 >SER~G 62 53.36 83.33 34.56 53.48 85.29 36.05 53.42 84.31 35.31 2 0 50.09 -999 ? OXT ACT B 202 >GLU~G 63 50.41 87.60 34.51 50.19 89.70 34.34 50.30 88.65 34.43 2 0 54.66 -999 ? OXT ACT B 202 >LYS~G 64 49.75 83.28 30.29 47.99 80.73 26.50 48.87 82.00 28.39 2 0 45.85 -999 ? OXT ACT B 202 >THR~G 65 50.53 79.76 31.63 52.67 79.62 31.31 51.60 79.69 31.47 2 0 43.93 -999 ? OXT ACT B 202 >GLY~G 66 49.75 80.01 35.39 50.52 79.98 35.05 50.13 79.99 35.22 1 0 45.81 -999 ? OXT ACT B 202 >ALA.G 67 53.39 78.95 36.10 54.50 78.62 35.03 53.94 78.79 35.57 2 0 43.30 -999 ? OXT ACT B 202 >SER~G 68 55.19 79.82 39.36 56.00 77.72 40.25 55.60 78.77 39.80 2 0 43.72 -999 ? OXT ACT B 202 >THR~G 69 58.77 81.08 39.32 59.84 82.90 40.02 59.31 81.99 39.67 2 0 48.09 -999 ? OXT ACT B 202 >ALA~G 70 59.92 77.64 40.62 59.35 76.87 41.87 59.63 77.26 41.24 2 0 43.15 -999 ? OXT ACT B 202 >THR~G 71 58.30 76.00 37.61 56.30 75.27 37.15 57.30 75.63 37.38 2 0 40.38 -999 ? OXT ACT B 202 >ILE~G 72 59.37 80.06 35.06 58.84 81.26 34.54 59.11 80.66 34.80 3 0 44.59 -999 ? OXT ACT B 202 >SER~G 73 63.11 78.26 36.53 64.83 78.64 38.15 63.97 78.45 37.34 2 0 43.43 -999 ? OXT ACT B 202 >ARG~G 74 61.82 72.55 39.58 61.76 73.32 42.57 61.79 72.93 41.07 2 0 40.10 -999 ? OXT ACT B 202 >VAL~G 75 61.89 74.52 32.67 59.96 74.64 31.62 60.92 74.58 32.14 3 0 37.98 -999 ? OXT ACT B 202 >ASN~G 76 64.72 78.38 32.76 65.66 80.01 31.80 65.19 79.19 32.28 2 0 43.33 -999 ? OXT ACT B 202 >ARG~G 77 68.33 73.10 36.80 68.96 70.26 37.86 68.65 71.68 37.33 2 0 35.94 -999 ? OXT ACT B 202 >SER~G 78 65.87 71.86 31.18 64.21 70.65 32.34 65.04 71.26 31.76 2 0 34.17 -999 ? OXT ACT B 202 >LEU~G 79 65.43 75.38 27.85 63.76 75.87 26.67 64.59 75.62 27.26 3 0 38.41 -999 ? OXT ACT B 202 >ASN~G 80 69.94 76.27 29.52 69.14 78.00 28.56 69.54 77.13 29.04 2 0 41.33 -999 ? OXT ACT B 202 >TYR~G 81 72.13 73.58 32.02 73.36 76.09 32.36 72.75 74.83 32.19 3 0 39.50 -999 ? OXT ACT B 202 >GLY~G 82 68.74 68.97 29.47 69.26 69.23 28.90 69.00 69.10 29.19 1 0 32.53 -999 ? OXT ACT B 202 >ASN.G 83 67.45 65.36 26.59 67.61 64.18 28.32 67.53 64.77 27.45 2 0 27.50 -999 ? OXT ACT B 202 >ASP~G 84 68.52 69.02 22.80 70.24 70.08 23.34 69.38 69.55 23.07 2 0 33.64 -999 ? OXT ACT B 202 >GLY~G 85 64.10 67.27 23.86 64.21 68.08 23.85 64.15 67.68 23.85 1 0 29.99 -999 ? OXT ACT B 202 >TYR~G 86 61.42 71.50 26.07 60.12 71.21 28.54 60.77 71.36 27.31 3 0 34.16 -999 ? OXT ACT B 202 >GLU~G 87 65.71 73.39 19.81 64.56 75.18 20.33 65.14 74.28 20.07 2 0 38.16 -999 ? OXT ACT B 202 >MET?G 88 63.74 68.42 19.11 63.86 64.15 19.72 63.80 66.29 19.42 2 0 27.34 -999 ? OXT ACT B 202 >VAL~G 89 59.92 68.67 18.98 59.00 68.03 20.90 59.46 68.35 19.94 3 0 31.58 -999 ? OXT ACT B 202 >PHE~G 90 59.98 73.83 20.59 59.04 74.33 23.21 59.51 74.08 21.90 3 0 37.00 -999 ? OXT ACT B 202 >SER~G 91 62.07 71.87 15.26 64.27 71.81 16.20 63.17 71.84 15.73 2 0 35.59 -999 ? OXT ACT B 202 >ARG~G 92 60.30 65.60 14.85 61.93 63.20 15.75 61.12 64.40 15.30 2 0 27.45 -999 ? OXT ACT B 202 >MET?G 93 56.63 71.16 14.41 54.72 70.73 18.22 55.68 70.94 16.32 2 0 34.97 -999 ? OXT ACT B 202 >LYS~G 94 58.30 74.11 12.68 60.80 76.74 15.50 59.55 75.43 14.09 2 0 40.55 -999 ? OXT ACT B 202 >GLU~G 95 60.98 70.44 9.62 61.73 68.46 9.49 61.36 69.45 9.56 2 0 34.74 -999 ? OXT ACT B 202 >LYS~G 96 55.05 70.85 9.51 55.17 66.47 12.41 55.11 68.66 10.96 2 0 32.58 -999 ? OXT ACT B 202 >GLU~G 97 54.61 75.45 10.93 55.64 76.84 12.22 55.12 76.15 11.57 2 0 42.09 -999 ? OXT ACT B 202 >ARG.H 6 38.96 67.87 24.29 38.47 64.99 23.31 38.72 66.43 23.80 2 0 36.80 -999 ? OXT ACT B 202 >THR~H 7 42.44 73.74 25.23 43.37 74.31 27.15 42.90 74.02 26.19 2 0 41.78 -999 ? OXT ACT B 202 >GLU~H 8 43.24 76.24 20.99 43.12 77.54 19.33 43.18 76.89 20.16 2 0 45.06 -999 ? OXT ACT B 202 >GLU~H 9 47.58 77.01 25.83 48.70 77.89 24.17 48.14 77.45 25.00 2 0 42.91 -999 ? OXT ACT B 202 >VAL~H 10 47.02 71.01 25.72 45.77 69.92 27.18 46.40 70.47 26.45 3 0 36.96 -999 ? OXT ACT B 202 >ASP~H 11 45.80 71.26 20.95 43.68 71.00 21.14 44.74 71.13 21.05 2 0 38.85 -999 ? OXT ACT B 202 >HIS~H 12 51.84 73.79 21.34 53.65 74.67 20.72 52.74 74.23 21.03 3 0 38.41 -999 ? OXT ACT B 202 >LEU~H 13 51.22 69.35 25.44 52.01 68.00 26.97 51.61 68.68 26.21 3 0 33.27 -999 ? OXT ACT B 202 >PHE~H 14 47.71 66.07 23.48 46.52 65.41 25.99 47.12 65.74 24.73 3 0 32.40 -999 ? OXT ACT B 202 >GLU~H 15 49.57 69.44 17.58 48.82 68.01 16.17 49.19 68.73 16.87 2 0 34.78 -999 ? OXT ACT B 202 >ALA~H 16 54.65 67.52 20.25 55.25 68.29 21.43 54.95 67.90 20.84 2 0 32.03 -999 ? OXT ACT B 202 >ILE~H 17 53.04 63.64 22.78 52.69 63.14 24.05 52.86 63.39 23.41 3 0 27.89 -999 ? OXT ACT B 202 >LEU~H 18 51.31 63.56 17.55 49.26 62.85 18.08 50.28 63.20 17.82 3 0 29.55 -999 ? OXT ACT B 202 >CYH.H 19 55.93 63.98 16.56 55.61 66.57 15.78 55.77 65.28 16.17 2 0 31.44 -999 ? OXT ACT B 202 >LEU.H 20 57.62 61.15 20.12 58.23 62.42 21.83 57.93 61.78 20.97 3 0 25.22 -999 ? OXT ACT B 202 >LYS.H 21 58.86 58.43 16.55 61.38 61.70 12.35 60.12 60.06 14.45 2 0 27.44 -999 ? OXT ACT B 202 >ASN~H 22 61.87 55.35 18.07 63.33 56.89 17.98 62.60 56.12 18.02 2 0 20.75 -999 ? OXT ACT B 202 >LYS~H 23 61.19 54.89 22.37 60.82 50.18 21.51 61.00 52.53 21.94 2 0 13.41 -999 ? OXT ACT B 202 >GLU~H 24 66.49 55.12 21.84 66.26 54.56 23.92 66.38 54.84 22.88 2 0 17.61 -999 ? OXT ACT B 202 >GLU~H 25 63.12 60.13 18.87 62.32 60.99 17.13 62.72 60.56 18.00 2 0 24.90 -999 ? OXT ACT B 202 >CYH~H 26 60.30 59.40 24.24 58.13 57.92 23.18 59.22 58.66 23.71 2 0 21.16 -999 ? OXT ACT B 202 >TYR~H 27 63.90 56.76 27.42 63.08 54.27 28.47 63.49 55.52 27.95 3 0 18.45 -999 ? OXT ACT B 202 >THR~H 28 64.62 62.34 25.40 65.90 62.78 23.69 65.26 62.56 24.54 2 0 25.68 -999 ? OXT ACT B 202 >PHE~H 29 59.08 65.16 24.74 56.96 67.00 25.17 58.02 66.08 24.96 3 0 29.12 -999 ? OXT ACT B 202 >PHE~H 30 57.69 61.64 27.94 55.31 61.77 26.43 56.50 61.71 27.18 3 0 25.25 -999 ? OXT ACT B 202 >GLU~H 31 64.13 60.99 30.92 65.93 59.93 30.38 65.03 60.46 30.65 2 0 23.47 -999 ? OXT ACT B 202 >ASP~H 32 63.15 67.54 28.35 65.17 67.91 27.78 64.16 67.72 28.06 2 0 30.81 -999 ? OXT ACT B 202 >VAL~H 33 59.36 67.58 30.65 57.73 67.85 29.25 58.55 67.72 29.95 3 0 31.08 -999 ? OXT ACT B 202 >CYH~H 34 59.04 65.21 33.67 56.83 63.96 32.53 57.94 64.59 33.10 2 0 28.32 -999 ? OXT ACT B 202 >THR~H 35 61.09 64.35 36.66 60.13 65.05 38.51 60.61 64.70 37.59 2 0 30.99 -999 ? OXT ACT B 202 >ILE~H 36 63.75 60.16 37.24 64.26 59.48 36.02 64.01 59.82 36.63 3 0 25.40 -999 ? OXT ACT B 202 >ASN~H 37 59.93 60.75 41.08 61.44 59.84 42.33 60.68 60.29 41.70 2 0 28.30 -999 ? O ACT F 201 >GLU~H 38 56.53 63.98 38.03 56.70 66.01 37.36 56.61 65.00 37.69 2 0 31.84 -999 ? OXT ACT B 202 >LEU~H 39 59.16 59.37 33.93 59.37 58.81 31.80 59.26 59.09 32.87 3 0 23.42 -999 ? OXT ACT B 202 >LEU~H 40 59.18 55.97 38.15 61.32 55.40 37.59 60.25 55.69 37.87 3 0 22.61 -999 ? OXT ACT B 202 >SER~H 41 54.65 57.09 38.44 55.20 58.82 40.09 54.92 57.95 39.27 2 0 27.36 -999 ? OXT ACT B 202 >LEU~H 42 53.40 58.00 33.72 52.69 60.09 33.55 53.04 59.04 33.63 3 0 25.31 -999 ? OXT ACT B 202 >SER~H 43 54.88 53.82 34.18 56.69 52.22 33.77 55.79 53.02 33.97 2 0 18.35 -999 ? OXT ACT B 202 >GLN~H 44 53.30 51.97 39.93 53.78 52.93 41.82 53.54 52.45 40.88 2 0 24.68 -999 ? OXT ACT B 202 >ARG~H 45 49.88 56.64 38.31 49.35 59.65 38.13 49.61 58.14 38.22 2 0 29.18 -999 ? OXT ACT B 202 >PHE~H 46 50.79 51.82 30.72 50.02 50.79 28.22 50.40 51.31 29.47 3 0 19.17 -999 ? OXT ACT B 202 >GLU~H 47 53.34 46.90 35.41 55.29 46.63 36.24 54.32 46.76 35.82 2 0 16.43 -999 ? OXT ACT B 202 >VAL~H 48 48.81 48.52 37.19 48.40 49.53 39.06 48.61 49.03 38.12 3 0 22.59 -999 ? OXT ACT B 202 >ALA~H 49 46.12 49.06 34.50 46.14 50.28 33.53 46.13 49.67 34.01 2 0 22.73 -999 ? OXT ACT B 202 >LYS~H 50 47.55 46.13 32.54 47.06 44.19 28.18 47.31 45.16 30.36 2 0 17.38 -999 ? OXT ACT B 202 >MET?H 51 47.49 43.82 35.58 51.10 43.56 37.79 49.29 43.69 36.68 2 0 18.42 -999 ? OXT ACT B 202 >LEU~H 52 43.53 46.36 36.88 43.41 47.35 38.82 43.47 46.85 37.85 3 0 25.06 -999 ? OXT ACT B 202 >THR~H 53 42.80 44.05 33.02 42.86 45.30 31.23 42.83 44.68 32.13 2 0 22.30 -999 ? OXT ACT B 202 >ASP~H 54 46.03 40.51 33.82 47.13 40.90 32.05 46.58 40.71 32.94 2 0 17.50 -999 ? OXT ACT B 202 >LYS.H 55 42.41 40.30 36.77 37.30 38.58 33.34 39.85 39.44 35.06 2 0 26.79 -999 ? OXT ACT B 202 >ARG.H 56 47.14 38.43 37.20 48.51 35.74 37.88 47.82 37.08 37.54 2 0 19.30 -999 ? OXT ACT B 202 >THR~H 57 44.92 40.41 42.85 45.63 38.68 43.92 45.28 39.55 43.38 2 0 25.59 -999 ? OXT ACT B 202 >TYR~H 58 43.97 45.44 44.81 41.97 47.10 43.73 42.97 46.27 44.27 3 0 29.07 -999 ? OXT ACT B 202 >LEU~H 59 48.41 40.62 47.32 47.92 40.94 49.50 48.16 40.78 48.41 3 0 26.98 -999 ? O ACT F 201 >ASP~H 60 49.26 39.78 42.11 50.46 38.80 40.66 49.86 39.29 41.39 2 0 20.01 -999 ? OXT ACT B 202 >ILE~H 61 48.52 44.85 41.33 47.55 45.42 40.44 48.04 45.13 40.88 3 0 23.05 -999 ? OXT ACT B 202 >SER~H 62 51.37 45.82 44.59 49.88 46.92 46.15 50.63 46.37 45.37 2 0 26.61 -999 ? OXT ACT B 202 >GLU~H 63 55.43 41.05 44.94 55.21 38.90 44.98 55.32 39.98 44.96 2 0 19.01 -999 ? O ACT F 201 >LYS~H 64 55.05 43.59 40.95 57.25 43.96 36.51 56.15 43.77 38.73 2 0 14.45 -999 ? OXT ACT B 202 >THR~H 65 54.57 47.33 40.48 52.44 47.39 40.03 53.51 47.36 40.26 2 0 20.87 -999 ? OXT ACT B 202 >GLY~H 66 55.35 48.83 43.87 54.60 48.80 43.54 54.98 48.82 43.71 1 0 23.26 -999 ? O ACT F 201 >ALA.H 67 51.86 50.48 43.85 50.86 50.39 42.70 51.36 50.44 43.28 2 0 25.06 -999 ? OXT ACT B 202 >SER~H 68 49.89 51.30 47.03 49.33 53.63 46.80 49.61 52.47 46.92 2 0 30.40 -999 ? OXT ACT B 202 >THR~H 69 46.28 50.17 47.38 45.26 49.14 48.90 45.77 49.65 48.14 2 0 31.93 -999 ? OXT ACT B 202 >ALA~H 70 45.25 53.80 46.89 45.74 55.01 47.70 45.50 54.40 47.30 2 0 33.47 -999 ? OXT ACT B 202 >THR~H 71 47.14 54.01 43.63 49.20 54.39 43.08 48.17 54.20 43.36 2 0 28.35 -999 ? OXT ACT B 202 >ILE~H 72 45.73 49.37 43.08 46.24 47.97 43.09 45.98 48.67 43.09 3 0 27.18 -999 ? OXT ACT B 202 >SER~H 73 42.03 51.87 43.31 41.76 51.25 45.63 41.89 51.56 44.47 2 0 32.59 -999 ? OXT ACT B 202 >ARG~H 74 44.01 58.38 43.19 46.26 57.94 45.27 45.13 58.16 44.23 2 0 33.32 -999 ? OXT ACT B 202 >VAL~H 75 43.79 53.33 38.33 45.67 52.56 37.54 44.73 52.94 37.94 3 0 27.14 -999 ? OXT ACT B 202 >ASN~H 76 40.52 50.07 39.91 39.13 48.49 39.53 39.83 49.28 39.72 2 0 29.90 -999 ? OXT ACT B 202 >ARG~H 77 36.15 55.94 39.94 33.24 56.85 39.78 34.70 56.40 39.86 2 0 38.35 -999 ? OXT ACT B 202 >SER~H 78 40.02 55.26 35.65 41.78 56.10 34.20 40.90 55.68 34.92 2 0 29.60 -999 ? OXT ACT B 202 >LEU~H 79 40.41 50.64 34.52 41.76 49.26 33.56 41.09 49.95 34.04 3 0 26.64 -999 ? OXT ACT B 202 >ASN~H 80 35.72 51.24 36.18 36.02 49.25 36.72 35.87 50.25 36.45 2 0 31.52 -999 ? OXT ACT B 202 >TYR~H 81 33.39 54.91 36.62 31.62 53.27 38.01 32.51 54.09 37.31 3 0 36.69 -999 ? OXT ACT B 202 >GLY~H 82 37.31 56.90 32.31 36.77 56.36 31.96 37.04 56.63 32.14 1 0 32.90 -999 ? OXT ACT B 202 >ASN.H 83 38.71 58.25 27.96 38.43 60.23 28.67 38.57 59.24 28.31 2 0 33.58 -999 ? OXT ACT B 202 >ASP~H 84 37.47 53.11 26.87 35.82 52.40 27.97 36.64 52.76 27.42 2 0 30.97 -999 ? OXT ACT B 202 >GLY~H 85 42.04 54.96 26.90 41.91 54.26 27.32 41.97 54.61 27.11 1 0 27.23 -999 ? OXT ACT B 202 >TYR~H 86 44.42 52.46 31.00 45.68 53.93 33.00 45.05 53.19 32.00 3 0 24.76 -999 ? OXT ACT B 202 >GLU~H 87 39.87 48.02 26.01 41.39 46.44 26.01 40.63 47.23 26.01 2 0 23.20 -999 ? OXT ACT B 202 >MET?H 88 42.26 51.55 23.35 42.32 55.52 21.67 42.29 53.53 22.51 2 0 27.50 -999 ? OXT ACT B 202 >VAL~H 89 46.07 51.40 23.53 46.93 52.98 24.82 46.50 52.19 24.18 3 0 21.99 -999 ? OXT ACT B 202 >PHE~H 90 45.82 47.57 27.36 46.62 48.48 29.93 46.22 48.03 28.65 3 0 20.00 -999 ? OXT ACT B 202 >SER~H 91 44.00 46.81 21.67 41.76 46.98 22.41 42.88 46.90 22.04 2 0 23.18 -999 ? OXT ACT B 202 >ARG~H 92 46.56 52.17 17.73 44.36 54.23 17.58 45.46 53.20 17.66 2 0 25.99 -999 ? OXT ACT B 202 >MET?H 93 49.34 47.27 20.61 51.43 49.05 23.92 50.38 48.16 22.26 2 0 16.29 -999 ? OXT ACT B 202 >LYS~H 94 47.80 43.87 19.91 45.52 43.23 24.63 46.66 43.55 22.27 2 0 18.16 -999 ? OXT ACT B 202 >GLU~H 95 45.35 46.24 15.88 44.87 48.30 15.57 45.11 47.27 15.72 2 0 22.92 -999 ? OXT ACT B 202 >LYS~H 96 51.22 44.80 15.81 53.80 44.66 21.04 52.51 44.73 18.43 2 0 12.15 -999 ? OXT ACT B 202 >GLU.H 97 50.13 39.94 18.09 49.19 38.13 18.57 49.66 39.04 18.33 2 0 14.93 -999 ? OXT ACT B 202 >THR.H 98 49.86 41.21 12.28 47.76 40.90 11.71 48.81 41.05 12.00 2 0 20.24 -999 ? OXT ACT B 202