REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JAN-09 3G16 COMPND UNCHARACTERIZED PROTEIN WITH CYSTATIN-LIKE FOLD; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHYLIBIUM PETROLEIPHILUM PM1; SOURCE 3 ORGANISM_TAXID: 420662; SOURCE 4 GENE: MPE_A3301, YP_001022489.1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 11 8 HET MSE A 30 8 HET MSE A 46 8 HET MSE B 11 13 HET MSE B 30 8 HET MSE B 46 8 HET UNL A 156 9 HET CL A 157 1 HET CL A 158 1 HET CL A 159 1 HET GOL A 160 6 HET GOL A 161 6 HET UNL B 156 9 HET CL B 157 1 SITE 1 AC1 11 TYR A 19 CYS A 22 PHE A 42 TYR A 47 SITE 1 AC2 3 ARG A 147 VAL A 148 THR A 149 SITE 1 AC3 3 SER A 150 LYS A 153 GOL A 161 SITE 1 AC4 4 SER A 7 ARG A 8 HOH A 204 HOH B 258 SITE 1 AC5 8 ALA A 32 ASP A 75 HOH A 208 HOH A 308 SITE 1 AC6 6 ARG A 133 LYS A 153 CL A 158 HOH A 300 SITE 1 AC7 11 HOH A 371 TYR B 19 CYS B 22 TYR B 47 SITE 1 AC8 4 LYS A 13 VAL B 148 THR B 149 HOH B 247 >GLY.A 0 44.37 68.56 -0.06 44.62 67.87 -0.43 44.49 68.22 -0.25 1 0 24.00 -999 ? CL CL A 159 >MET?A 1 41.14 66.82 -0.95 38.68 66.47 1.78 39.91 66.64 0.41 2 0 19.00 -999 ? CL CL A 159 >THR.A 2 37.54 67.56 -1.94 37.13 68.81 -3.63 37.34 68.18 -2.78 2 0 16.35 -999 ? CL CL A 159 >ALA.A 3 34.77 65.70 -0.06 34.12 66.19 1.23 34.44 65.94 0.58 2 0 14.62 -999 ? CL CL A 159 >PRO.A 4 33.87 62.19 -2.61 32.99 64.20 -2.16 33.43 63.20 -2.38 3 0 12.98 -999 ? CL CL A 159 >THR.A 5 28.89 65.42 -2.73 28.03 67.36 -2.91 28.46 66.39 -2.82 2 0 7.49 -999 ? CL CL A 159 >LEU.A 6 26.34 61.43 -1.79 27.83 59.89 -1.27 27.09 60.66 -1.53 3 0 8.91 -999 ? CL CL A 159 >SER~A 7 23.31 63.10 -4.69 22.64 61.26 -6.10 22.97 62.18 -5.40 2 0 -5.00 -999 ? CL CL A 159s >ARG~A 8 16.73 64.86 -3.41 16.33 65.77 -0.48 16.53 65.31 -1.95 2 0 -6.94 -999 ? CL CL A 159s >ALA~A 9 18.94 60.11 -5.07 18.82 60.21 -6.59 18.88 60.16 -5.83 2 0 6.32 -999 ? CL CL A 159 >ALA~A 10 22.08 58.09 -4.41 23.49 58.58 -4.67 22.78 58.33 -4.54 2 0 7.81 -999 ? CL CL A 159 >MET?A 11 21.58 58.24 -0.65 23.40 61.35 1.63 22.49 59.80 0.49 2 0 8.78 -999 ? CL CL A 159 >GLU~A 12 15.49 57.59 -1.56 13.95 58.76 -2.35 14.72 58.17 -1.95 2 0 10.65 -999 ? CL CL A 159 >LYS~A 13 18.69 54.38 -3.12 19.80 51.80 -8.81 19.25 53.09 -5.96 2 0 -14.63 -999 ? CL CL A 159s >VAL~A 14 21.14 52.95 -0.59 23.29 53.21 -0.15 22.22 53.08 -0.37 3 0 13.28 -999 ? O5 UNL A 156 >ILE~A 15 18.23 54.87 2.78 18.02 55.90 3.73 18.12 55.38 3.25 3 0 9.60 -999 ? O6 UNL A 156 >ARG~A 16 12.80 51.95 -0.63 11.51 50.69 1.88 12.15 51.32 0.62 2 0 10.16 -999 ? O5 UNL A 156 >THR~A 17 18.00 48.95 -0.61 19.45 48.56 -2.14 18.72 48.75 -1.37 2 0 12.96 -999 ? O5 UNL A 156 >TYR~A 18 19.74 49.38 5.38 19.81 48.99 8.13 19.78 49.18 6.76 3 0 5.16 -999 ? O5 UNL A 156 >TYR~A 19 14.68 50.46 5.71 15.04 51.94 8.05 14.86 51.20 6.88 3 0 -4.41 -999 ? O6 UNL A 156s >ASP~A 20 14.76 46.20 0.03 13.48 47.57 -0.97 14.12 46.89 -0.47 2 0 11.75 -999 ? O5 UNL A 156 >GLY~A 21 17.33 43.81 2.59 16.74 44.14 3.05 17.04 43.97 2.82 1 0 8.97 -999 ? O5 UNL A 156 >CYH~A 22 16.19 43.99 6.19 17.33 46.23 7.49 16.76 45.11 6.84 2 0 -3.60 -999 ? O5 UNL A 156s >ASN~A 23 11.54 43.71 4.66 10.92 45.30 5.89 11.23 44.50 5.28 2 0 7.58 -999 ? O5 UNL A 156 >GLU~A 24 13.57 41.22 0.62 14.33 42.17 -1.09 13.95 41.70 -0.23 2 0 13.08 -999 ? O5 UNL A 156 >ALA.A 25 16.42 38.84 5.56 15.72 37.63 6.19 16.07 38.24 5.87 2 0 11.27 -999 ? O5 UNL A 156 >ASP~A 26 18.60 39.65 1.47 19.93 39.35 -0.13 19.27 39.50 0.67 2 0 14.15 -999 ? O5 UNL A 156 >GLU~A 27 22.49 37.99 6.47 23.35 36.26 7.23 22.92 37.12 6.85 2 0 14.10 -999 ? O5 UNL A 156 >ALA~A 28 24.37 40.07 1.28 24.48 39.06 0.09 24.42 39.57 0.69 2 0 15.94 -999 ? O5 UNL A 156 >LYS~A 29 21.99 42.79 0.18 16.57 43.96 -2.46 19.28 43.38 -1.14 2 0 13.53 -999 ? O5 UNL A 156 >MET?A 30 22.26 44.58 3.52 19.75 43.38 6.79 21.01 43.98 5.16 2 0 6.84 -999 ? O5 UNL A 156 >ILE~A 31 26.84 42.92 3.68 27.71 41.90 4.22 27.27 42.41 3.95 3 0 13.91 -999 ? O5 UNL A 156 >ALA~A 32 26.41 45.94 0.30 25.83 45.38 -0.98 26.12 45.66 -0.34 2 0 -15.09 -999 ? O5 UNL A 156s >CYH.A 33 24.79 49.09 1.67 22.12 48.47 1.12 23.46 48.78 1.40 2 0 10.96 -999 ? O5 UNL A 156 >PHE^A 34 26.05 49.00 6.21 23.57 49.22 7.48 24.81 49.11 6.85 3 0 9.26 -999 ? O5 UNL A 156 >VAL^A 35 31.23 50.25 4.51 31.79 52.25 5.19 31.51 51.25 4.85 3 0 16.48 -999 ? O5 UNL A 156 >PRO^A 36 34.01 46.89 4.29 32.44 47.59 5.73 33.22 47.24 5.01 3 0 17.76 -999 ? O5 UNL A 156 >GLU^A 37 34.73 50.87 9.06 35.14 51.14 6.95 34.94 51.01 8.00 2 0 19.37 -999 ? O5 UNL A 156 >ALA^A 38 29.95 50.43 9.80 28.77 50.37 8.82 29.36 50.40 9.31 2 0 12.75 -999 ? O5 UNL A 156 >VAL^A 39 28.51 50.58 13.32 29.82 50.71 15.07 29.17 50.64 14.20 3 0 12.39 -999 ? O3 UNL A 156 >HIS^A 40 22.41 50.17 13.71 20.42 50.85 13.56 21.42 50.51 13.63 3 0 4.66 -999 ? O3 UNL A 156 >TYR^A 41 26.22 53.72 17.87 28.98 53.78 17.46 27.60 53.75 17.66 3 0 11.85 -999 ? O3 UNL A 156 >PHE.A 42 20.61 49.77 18.69 20.79 48.36 16.30 20.70 49.07 17.50 3 0 -4.70 -999 ? O1 UNL A 156s >PRO.A 43 17.55 53.54 22.19 19.72 53.06 22.44 18.63 53.30 22.31 3 0 7.31 -999 ? O1 UNL A 156 >ALA.A 44 21.90 51.95 25.99 22.67 52.72 27.05 22.28 52.34 26.52 2 0 12.05 -999 ? O1 GOL A 161 >GLY.A 45 20.34 48.74 27.27 20.47 48.82 26.47 20.41 48.78 26.87 1 0 11.01 -999 ? O1 UNL A 156 >MET?A 46 19.34 47.52 23.85 16.05 48.12 23.91 17.69 47.82 23.88 2 0 6.80 -999 ? O1 UNL A 156 >TYR.A 47 19.12 45.15 20.02 16.53 45.64 19.03 17.82 45.39 19.52 3 0 -4.56 -999 ? O1 UNL A 156s >GLY.A 48 23.62 44.27 24.39 23.50 44.84 23.91 23.56 44.56 24.15 1 0 11.45 -999 ? O1 UNL A 156 >GLY.A 49 25.27 47.29 22.82 24.76 46.89 22.29 25.02 47.09 22.56 1 0 10.97 -999 ? O1 UNL A 156 >ALA.A 50 26.24 48.46 19.35 27.42 49.41 19.06 26.83 48.94 19.20 2 0 11.58 -999 ? O1 UNL A 156 >PHE^A 51 23.90 45.60 15.86 21.52 44.52 16.82 22.71 45.06 16.34 3 0 7.73 -999 ? O1 UNL A 156 >ARG^A 52 31.84 46.08 18.42 30.49 46.54 21.12 31.17 46.31 19.77 2 0 15.19 -999 ? O1 UNL A 156 >GLY~A 53 30.43 45.90 11.35 29.66 45.98 11.60 30.05 45.94 11.47 1 0 14.30 -999 ? O5 UNL A 156 >ALA~A 54 28.17 45.53 8.35 28.62 45.80 6.90 28.39 45.66 7.63 2 0 12.98 -999 ? O5 UNL A 156 >ALA~A 55 28.14 41.72 8.61 29.38 40.78 8.55 28.76 41.25 8.58 2 0 15.06 -999 ? O5 UNL A 156 >GLN~A 56 28.97 41.58 13.74 30.26 41.08 12.10 29.62 41.33 12.92 2 0 15.68 -999 ? O5 UNL A 156 >ILE~A 57 24.39 45.78 10.73 24.35 47.20 10.57 24.37 46.49 10.65 3 0 8.20 -999 ? O5 UNL A 156 >ALA~A 58 23.01 42.14 8.66 23.80 41.86 7.34 23.40 42.00 8.00 2 0 10.19 -999 ? O5 UNL A 156 >HIS~A 59 24.24 36.98 11.90 23.91 34.98 12.43 24.08 35.98 12.17 3 0 14.46 -999 ? O5 UNL A 156 >ARG~A 60 24.00 41.70 16.08 26.79 41.95 17.35 25.40 41.82 16.71 2 0 12.80 -999 ? O1 UNL A 156 >TRP~A 61 19.43 45.28 10.37 18.21 46.12 14.01 18.82 45.70 12.19 3 0 -3.76 -999 ? O4 UNL A 156s >ARG~A 62 19.97 35.46 8.20 20.89 32.63 8.12 20.43 34.05 8.16 2 0 16.25 -999 ? O5 UNL A 156 >THR~A 63 17.73 36.76 13.04 19.48 36.74 14.32 18.61 36.75 13.68 2 0 12.38 -999 ? O5 UNL A 156 >ALA~A 64 15.12 39.37 13.96 15.27 40.90 13.98 15.19 40.13 13.97 2 0 7.81 -999 ? O8 UNL A 156 >VAL~A 65 13.10 38.57 10.86 13.11 39.13 8.74 13.10 38.85 9.80 3 0 9.78 -999 ? O5 UNL A 156 >GLU~A 66 15.26 33.97 10.21 17.15 33.08 10.17 16.20 33.52 10.19 2 0 15.01 -999 ? O5 UNL A 156 >THR~A 67 12.47 34.99 15.22 14.37 35.31 16.21 13.42 35.15 15.72 2 0 12.96 -999 ? O7 UNL A 156 >LEU~A 68 10.86 39.39 16.00 11.90 39.79 17.86 11.38 39.59 16.93 3 0 9.35 -999 ? O7 UNL A 156 >GLY~A 69 8.80 38.36 12.09 9.27 38.90 12.52 9.04 38.63 12.31 1 0 12.40 -999 ? O5 UNL A 156 >SER^A 70 10.29 41.88 12.06 11.99 41.90 13.73 11.14 41.89 12.90 2 0 7.51 -999 ? O8 UNL A 156 >TYR^A 71 7.51 44.12 7.25 7.22 44.76 4.55 7.36 44.44 5.90 3 0 10.68 -999 ? O5 UNL A 156 >TRP^A 72 12.78 48.15 11.18 14.23 44.50 10.96 13.50 46.32 11.07 3 0 -3.38 -999 ? O5 UNL A 156s >THR^A 73 8.73 50.69 7.20 6.67 50.58 7.83 7.70 50.63 7.51 2 0 7.34 -999 ? O3 GOL A 160 >ILE^A 74 11.16 54.26 4.98 12.41 54.59 4.29 11.78 54.42 4.63 3 0 7.66 -999 ? O3 GOL A 160 >ASP^A 75 7.30 56.52 8.87 6.83 54.56 9.48 7.06 55.54 9.17 2 0 -5.08 -999 ? O3 GOL A 160s >ALA^A 76 9.78 59.78 6.78 9.53 60.89 7.86 9.66 60.34 7.32 2 0 5.97 -999 ? O2 GOL A 160 >LEU^A 77 13.15 59.44 3.78 14.94 58.53 3.06 14.04 58.98 3.42 3 0 9.66 -999 ? O3 GOL A 160 >VAL^A 78 15.18 63.49 5.43 14.81 64.82 7.15 15.00 64.16 6.29 3 0 11.55 -999 ? O2 GOL A 160 >ILE^A 79 18.12 62.97 1.79 18.31 61.92 0.93 18.21 62.44 1.36 3 0 8.24 -999 ? CL CL A 159 >ASP^A 80 21.33 66.74 4.88 22.20 68.65 5.09 21.77 67.69 4.98 2 0 10.95 -999 ? CL CL A 159 >ALA.A 81 23.33 66.56 0.46 22.94 66.82 -0.98 23.14 66.69 -0.26 2 0 4.92 -999 ? CL CL A 159 >GLU.A 82 25.93 71.50 3.31 27.08 72.34 1.74 26.51 71.92 2.53 2 0 11.32 -999 ? CL CL A 159 >THR.A 83 26.43 66.99 4.96 25.03 67.57 6.51 25.73 67.28 5.74 2 0 12.71 -999 ? CL CL A 159 >ALA.A 84 26.00 63.59 3.29 27.42 63.11 2.80 26.71 63.35 3.05 2 0 10.79 -999 ? CL CL A 159 >GLU^A 85 25.37 63.41 7.85 25.71 64.20 9.81 25.54 63.81 8.83 2 0 16.07 -999 ? CL CL A 159 >ALA^A 86 20.10 61.39 6.36 19.71 60.29 5.38 19.90 60.84 5.87 2 0 12.17 -999 ? O6 UNL A 156 >ALA^A 87 17.49 60.82 9.02 17.11 62.00 9.95 17.30 61.41 9.49 2 0 11.60 -999 ? O9 UNL A 156 >ILE^A 88 15.24 56.77 8.49 15.56 55.67 7.61 15.40 56.22 8.05 3 0 6.77 -999 ? O6 UNL A 156 >GLU^A 89 9.40 58.72 12.11 7.76 60.04 11.99 8.58 59.38 12.05 2 0 6.88 -999 ? C3 GOL A 160 >TRP^A 90 14.03 54.34 12.22 13.02 52.21 15.36 13.52 53.28 13.79 3 0 -3.47 -999 ? O9 UNL A 156s >THR^A 91 8.50 51.51 12.37 6.34 51.66 12.51 7.42 51.58 12.44 2 0 8.97 -999 ? O3 GOL A 160 >HIS^A 92 11.44 46.63 14.68 12.30 44.76 15.08 11.87 45.69 14.88 3 0 -4.31 -999 ? O8 UNL A 156s >PHE^A 93 5.00 46.76 11.91 3.54 49.02 11.27 4.27 47.89 11.59 3 0 7.30 -999 ? CL CL B 157 >LYS^A 94 7.58 42.77 15.71 10.68 45.02 20.42 9.13 43.90 18.07 2 0 6.41 -999 ? O7 UNL A 156 >THR.A 95 4.92 40.84 13.91 4.61 40.67 11.77 4.76 40.75 12.84 2 0 11.67 -999 ? CL CL B 157 >ASN~A 96 6.10 36.51 15.56 6.41 35.91 13.54 6.25 36.21 14.55 2 0 15.36 -999 ? O7 UNL A 156 >GLN~A 97 7.26 39.12 19.89 8.97 40.06 20.71 8.11 39.59 20.30 2 0 10.83 -999 ? O7 UNL A 156 >ASP~A 98 0.74 41.13 18.59 -0.93 42.27 17.96 -0.09 41.70 18.28 2 0 12.13 -999 ? CL CL B 157 >LYS^A 99 4.25 44.61 19.09 6.73 43.70 24.42 5.49 44.16 21.76 2 0 12.04 -999 ? O7 UNL A 156 >VAL^A 100 5.07 47.86 17.38 3.57 48.80 16.09 4.32 48.33 16.74 3 0 10.59 -999 ? CL CL B 157 >LEU^A 101 9.46 49.29 18.42 11.12 50.16 19.57 10.29 49.73 18.99 3 0 5.32 -999 ? O7 UNL A 156 >ARG^A 102 5.15 54.36 14.97 2.82 53.29 13.19 3.99 53.83 14.08 2 0 7.78 -999 ? CL CL B 157 >GLY^A 103 11.64 55.52 16.21 11.32 55.55 15.48 11.48 55.54 15.85 1 0 7.23 -999 ? O9 UNL A 156 >ALA^A 104 14.03 57.66 14.24 13.71 59.14 14.35 13.87 58.40 14.29 2 0 8.79 -999 ? O9 UNL A 156 >GLU^A 105 17.63 55.46 11.50 17.58 53.35 11.27 17.60 54.40 11.38 2 0 -3.55 -999 ? O9 UNL A 156s >CYH^A 106 20.54 59.42 12.00 20.37 61.58 13.75 20.45 60.50 12.88 2 0 11.70 -999 ? O3 UNL A 156 >VAL^A 107 22.49 57.95 9.10 21.42 56.54 7.75 21.96 57.25 8.43 3 0 9.64 -999 ? O6 UNL A 156 >GLU^A 108 26.88 60.00 10.29 28.56 60.39 11.46 27.72 60.19 10.87 2 0 15.64 -999 ? O3 UNL A 156 >PHE^A 109 25.43 58.18 3.05 22.99 56.98 2.54 24.21 57.58 2.80 3 0 12.19 -999 ? CL CL A 159 >ASP.A 110 31.61 56.27 3.71 33.54 56.30 2.89 32.57 56.29 3.30 2 0 17.83 -999 ? CL CL A 159 >ARG.A 111 31.53 63.76 2.16 29.62 66.18 2.22 30.58 64.97 2.19 2 0 11.47 -999 ? CL CL A 159 >ALA.A 112 34.29 58.23 -0.58 35.58 57.95 0.22 34.93 58.09 -0.18 2 0 17.49 -999 ? CL CL A 159 >SER.A 113 32.16 55.12 -1.29 31.58 54.06 0.82 31.87 54.59 -0.24 2 0 17.06 -999 ? CL CL A 159 >GLY.A 114 28.53 56.31 -1.24 28.83 55.74 -0.72 28.68 56.03 -0.98 1 0 12.89 -999 ? CL CL A 159 >LEU.A 115 28.43 52.43 1.41 28.35 51.06 -0.34 28.39 51.74 0.53 3 0 16.02 -999 ? O5 UNL A 156 >ILE^A 116 25.14 53.34 5.55 23.80 53.34 5.98 24.47 53.34 5.76 3 0 10.49 -999 ? O6 UNL A 156 >ARG^A 117 31.12 57.61 7.95 32.02 60.47 8.30 31.57 59.04 8.13 2 0 18.41 -999 ? CL CL A 159 >GLU^A 118 27.42 55.87 13.11 28.65 57.24 14.12 28.03 56.56 13.61 2 0 13.67 -999 ? O3 UNL A 156 >ILE^A 119 22.49 53.50 11.57 21.45 53.01 10.71 21.97 53.25 11.14 3 0 6.62 -999 ? O3 UNL A 156 >ARG^A 120 25.10 58.61 16.36 25.22 60.78 14.20 25.16 59.70 15.28 2 0 13.34 -999 ? O3 UNL A 156 >ALA^A 121 18.79 54.97 16.48 18.34 53.54 16.17 18.57 54.26 16.33 2 0 4.02 -999 ? O3 UNL A 156 >PHE^A 122 17.72 58.58 18.83 20.34 59.52 18.66 19.03 59.05 18.75 3 0 10.01 -999 ? O3 UNL A 156 >TYR^A 123 13.88 52.88 20.71 15.39 50.61 20.09 14.63 51.75 20.40 3 0 -4.57 -999 ? O1 UNL A 156s >ALA.A 124 9.42 56.41 20.75 8.25 56.36 19.75 8.83 56.38 20.25 2 0 10.91 -999 ? O7 UNL A 156 >SER.A 125 9.81 54.88 24.21 10.58 52.94 25.42 10.20 53.91 24.81 2 0 10.68 -999 ? O7 UNL A 156 >PRO.A 126 7.90 55.09 28.22 9.31 56.27 26.95 8.60 55.68 27.58 3 0 10.50 -999 ? O7 UNL B 156 >GLN.A 127 12.67 60.16 29.24 12.69 62.07 30.13 12.68 61.12 29.69 2 0 5.13 -999 ? O6 UNL B 156 >ALA.A 128 13.52 54.77 31.70 14.67 53.80 31.36 14.10 54.28 31.53 2 0 13.22 -999 ? O6 UNL B 156 >GLY.A 130 16.17 56.15 37.60 16.20 56.07 36.83 16.18 56.11 37.22 1 0 11.28 -999 ? C1 GOL A 161 >ILE.A 131 18.46 55.42 33.44 19.12 54.19 33.57 18.79 54.81 33.51 3 0 9.92 -999 ? C1 GOL A 161 >ALA.A 132 21.10 59.03 35.11 22.39 59.01 35.95 21.75 59.02 35.53 2 0 4.45 -999 ? C1 GOL A 161 >ARG^A 133 26.01 59.63 31.50 27.05 62.36 30.58 26.53 60.99 31.04 2 0 -4.03 -999 ? O2 GOL A 161s >LEU^A 134 18.45 58.27 28.84 17.00 57.16 30.00 17.73 57.71 29.42 3 0 10.08 -999 ? O6 UNL B 156 >GLU.A 135 24.42 58.01 26.92 25.93 59.32 27.79 25.18 58.67 27.36 2 0 7.04 -999 ? O1 GOL A 161 >LEU.A 136 23.94 55.95 21.60 22.74 56.65 19.94 23.34 56.30 20.77 3 0 11.01 -999 ? O3 UNL A 156 >GLY.A 137 25.23 52.38 24.06 25.37 52.83 23.38 25.30 52.60 23.72 1 0 12.04 -999 ? O1 UNL A 156 >ASP.A 138 29.03 50.87 22.37 28.89 49.11 23.53 28.96 49.99 22.95 2 0 14.37 -999 ? O1 UNL A 156 >PHE.A 139 27.97 57.44 20.15 28.52 59.39 18.28 28.25 58.41 19.21 3 0 13.59 -999 ? CL CL A 157 >ASP.A 140 33.45 57.25 21.46 35.09 58.29 22.20 34.27 57.77 21.83 2 0 12.04 -999 ? CL CL A 157 >TYR.A 141 28.08 60.56 23.76 25.60 59.58 22.93 26.84 60.07 23.35 3 0 10.49 -999 ? CL CL A 157 >ALA.A 142 33.66 62.37 24.50 34.40 61.85 25.72 34.03 62.11 25.11 2 0 7.33 -999 ? CL CL A 157 >GLY.A 143 35.91 61.38 21.60 35.14 61.67 21.51 35.53 61.53 21.56 1 0 10.36 -999 ? CL CL A 157 >ARG.A 144 32.80 60.29 16.73 30.35 59.16 15.22 31.57 59.72 15.97 2 0 15.76 -999 ? CL CL A 157 >GLY.A 145 33.14 65.98 20.39 32.56 65.48 20.57 32.85 65.73 20.48 1 0 8.18 -999 ? CL CL A 157 >TYR.A 146 28.19 63.98 20.67 26.99 63.04 18.33 27.59 63.51 19.50 3 0 10.54 -999 ? CL CL A 157 >ARG.A 147 29.68 70.38 25.96 30.27 72.46 28.17 29.97 71.42 27.06 2 0 -4.49 -999 ? CL CL A 157s >VAL.A 148 29.24 65.01 28.16 30.67 63.41 28.34 29.96 64.21 28.25 3 0 -4.25 -999 ? CL CL A 157s >THR.A 149 28.32 67.27 31.10 30.14 67.08 32.22 29.23 67.18 31.66 2 0 -4.47 -999 ? CL CL A 157s >SER.A 150 25.88 70.16 31.22 24.23 71.62 32.07 25.06 70.89 31.64 2 0 -5.24 -999 ? CL CL A 158s >PRO.A 151 26.31 72.63 27.68 26.75 72.80 29.83 26.53 72.71 28.75 3 0 6.79 -999 ? CL CL A 157 >ARG.A 152 21.73 75.56 32.90 20.33 77.39 30.82 21.03 76.48 31.86 2 0 11.20 -999 ? O1 UNL B 156 >LYS.A 153 28.25 73.44 35.01 26.13 67.82 36.97 27.19 70.63 35.99 2 0 3.28 -999 ? O3 GOL A 161s >PRO.A 154 30.82 76.51 36.80 30.96 75.04 35.11 30.89 75.77 35.95 3 0 10.48 -999 ? CL CL A 158 >ALA.A 155 34.19 73.55 32.69 33.56 73.02 31.42 33.88 73.29 32.06 2 0 6.23 -999 ? CL CL A 157 >PRO.B 4 5.84 79.18 -0.35 6.85 77.74 -1.79 6.35 78.46 -1.07 3 0 19.51 -999 ? O2 GOL A 160 >THR.B 5 11.21 77.47 -1.55 12.82 77.15 -3.00 12.01 77.31 -2.27 2 0 14.15 -999 ? CL CL A 159 >LEU.B 6 12.03 76.73 2.78 11.83 77.17 4.88 11.93 76.95 3.83 3 0 17.08 -999 ? CL CL A 159 >SER~B 7 16.72 77.26 1.87 17.84 79.21 2.86 17.28 78.24 2.36 2 0 15.99 -999 ? CL CL A 159 >ARG~B 8 21.91 72.48 4.18 22.95 72.02 7.02 22.43 72.25 5.60 2 0 14.00 -999 ? CL CL A 159 >ALA~B 9 20.38 78.08 5.61 21.19 79.15 4.88 20.79 78.62 5.24 2 0 16.75 -999 ? CL CL A 159 >ALA~B 10 16.98 79.57 6.44 15.87 79.98 5.45 16.42 79.77 5.95 2 0 18.52 -999 ? CL CL A 159 >MET?B 11 15.88 76.34 8.14 14.54 73.67 5.14 15.21 75.01 6.64 2 0 14.68 -999 ? CL CL A 159 >GLU~B 12 21.60 75.94 10.59 23.53 75.37 9.99 22.56 75.66 10.29 2 0 15.94 -999 ? O2 UNL B 156 >VAL~B 14 15.18 79.01 12.62 13.17 79.06 11.79 14.17 79.03 12.20 3 0 12.89 -999 ? O1 UNL B 156 >ILE~B 15 16.79 74.54 13.63 16.76 73.17 13.26 16.78 73.86 13.45 3 0 9.65 -999 ? O2 UNL B 156 >ARG~B 16 22.75 76.82 14.28 24.17 74.18 14.91 23.46 75.50 14.59 2 0 12.64 -999 ? O2 UNL B 156 >THR~B 17 17.29 80.42 17.08 16.58 82.20 16.15 16.93 81.31 16.61 2 0 12.50 -999 ? O1 UNL B 156 >TYR~B 18 13.28 75.91 18.64 11.95 73.91 20.09 12.61 74.91 19.37 3 0 5.04 -999 ? O1 UNL B 156 >TYR~B 19 17.86 73.74 19.88 16.94 71.16 19.51 17.40 72.45 19.69 3 0 -4.34 -999 ? O2 UNL B 156s >ASP~B 20 19.47 80.57 20.90 21.28 80.20 19.93 20.38 80.38 20.41 2 0 11.11 -999 ? O1 UNL B 156 >GLY~B 21 15.43 80.52 22.88 15.87 79.82 23.07 15.65 80.17 22.97 1 0 8.64 -999 ? O1 UNL B 156 >CYH~B 22 15.10 77.27 24.81 13.96 75.31 23.07 14.53 76.29 23.94 2 0 -3.43 -999 ? O1 UNL B 156s >ASN~B 23 19.75 77.53 25.95 20.11 75.55 25.33 19.93 76.54 25.64 2 0 7.07 -999 ? O1 UNL B 156 >GLU~B 24 19.09 82.47 25.54 19.24 83.28 23.60 19.17 82.87 24.57 2 0 12.31 -999 ? O1 UNL B 156 >ALA.B 25 14.10 80.49 28.56 14.16 80.44 30.08 14.13 80.47 29.32 2 0 11.11 -999 ? O1 UNL B 156 >ASP~B 26 14.11 83.94 25.33 13.47 85.78 24.45 13.79 84.86 24.89 2 0 13.98 -999 ? O1 UNL B 156 >GLU~B 27 8.33 81.68 27.37 6.87 82.14 28.79 7.60 81.91 28.08 2 0 14.03 -999 ? O1 UNL B 156 >ALA~B 28 8.99 85.33 22.71 9.14 86.84 22.91 9.06 86.08 22.81 2 0 15.86 -999 ? O1 UNL B 156 >LYS~B 29 12.12 84.12 20.93 18.47 84.10 20.99 15.29 84.11 20.96 2 0 12.94 -999 ? O1 UNL B 156 >MET?B 30 10.87 80.51 20.84 11.51 77.97 24.24 11.19 79.24 22.54 2 0 6.87 -999 ? O1 UNL B 156 >ILE~B 31 6.37 82.41 20.56 5.21 82.69 21.32 5.79 82.55 20.94 3 0 13.90 -999 ? O1 UNL B 156 >ALA~B 32 8.65 83.39 16.74 9.59 84.61 16.82 9.12 84.00 16.78 2 0 14.93 -999 ? O1 UNL B 156 >CYH.B 33 10.19 80.16 15.38 12.67 80.34 16.67 11.43 80.25 16.02 2 0 10.67 -999 ? O1 UNL B 156 >PHE^B 34 7.25 76.87 16.96 8.98 75.15 18.27 8.12 76.01 17.62 3 0 9.29 -999 ? O1 UNL B 156 >VAL^B 35 3.51 78.81 13.20 3.20 77.37 11.56 3.36 78.09 12.38 3 0 16.57 -999 ? O1 UNL B 156 >PRO^B 36 0.43 81.48 14.80 1.39 79.56 15.41 0.91 80.52 15.10 3 0 17.91 -999 ? O1 UNL B 156 >GLU^B 37 -1.36 75.59 13.46 -0.84 77.23 12.12 -1.10 76.41 12.79 2 0 19.13 -999 ? O2 GOL A 160 >ALA^B 38 2.60 74.13 15.89 4.00 74.66 15.96 3.30 74.40 15.93 2 0 12.88 -999 ? O3 UNL B 156 >VAL^B 39 2.49 70.83 17.75 0.66 69.63 17.75 1.57 70.23 17.75 3 0 12.51 -999 ? O4 UNL B 156 >HIS^B 40 7.63 69.29 20.63 9.59 68.56 20.76 8.61 68.93 20.70 3 0 4.78 -999 ? O4 UNL B 156 >TYR^B 41 3.30 64.85 18.03 1.03 65.78 16.70 2.16 65.31 17.36 3 0 12.15 -999 ? O4 UNL B 156 >PHE.B 42 7.15 65.00 23.77 7.68 67.70 23.80 7.41 66.35 23.78 3 0 4.67 -999 ? O7 UNL B 156 >PRO.B 43 9.35 59.44 23.13 7.16 59.94 23.00 8.26 59.69 23.07 3 0 7.44 -999 ? O7 UNL B 156 >ALA.B 44 3.63 58.04 24.47 2.78 56.93 23.82 3.21 57.48 24.15 2 0 12.51 -999 ? O7 UNL B 156 >GLY.B 45 3.76 58.19 28.30 4.06 58.81 27.79 3.91 58.50 28.04 1 0 10.92 -999 ? O7 UNL B 156 >MET?B 46 5.54 61.61 28.29 8.72 60.41 29.08 7.13 61.01 28.69 2 0 6.62 -999 ? O7 UNL B 156 >TYR.B 47 6.67 66.25 28.42 9.49 66.61 28.51 8.08 66.43 28.47 3 0 -4.11 -999 ? O7 UNL B 156s >GLY.B 48 0.87 64.07 29.50 1.32 64.08 28.79 1.10 64.08 29.15 1 0 11.16 -999 ? O7 UNL B 156 >GLY.B 49 0.88 64.17 25.71 1.41 64.72 26.04 1.15 64.44 25.87 1 0 10.63 -999 ? O7 UNL B 156 >ALA.B 50 1.60 66.61 22.93 0.94 66.51 21.55 1.27 66.56 22.24 2 0 11.44 -999 ? O7 UNL B 156 >PHE^B 51 4.54 70.46 24.69 6.11 69.58 26.81 5.32 70.02 25.75 3 0 7.46 -999 ? O7 UNL B 156 >ARG^B 52 -3.13 69.44 20.95 -2.90 67.22 18.76 -3.02 68.33 19.85 2 0 16.16 -999 ? O7 UNL B 156 >GLY~B 53 0.59 75.57 20.14 1.22 75.10 20.42 0.90 75.34 20.28 1 0 14.30 -999 ? O3 UNL B 156 >ALA~B 54 3.76 77.63 19.99 3.94 78.80 19.00 3.85 78.21 19.49 2 0 13.23 -999 ? O1 UNL B 156 >ALA~B 55 2.92 79.39 23.28 1.67 80.24 23.56 2.30 79.82 23.42 2 0 15.32 -999 ? O1 UNL B 156 >GLN~B 56 1.61 73.81 25.83 -0.24 72.79 26.06 0.68 73.30 25.94 2 0 13.62 -999 ? O7 UNL B 156 >ILE~B 57 6.19 74.64 22.22 6.60 73.96 21.01 6.39 74.30 21.61 3 0 8.33 -999 ? O3 UNL B 156 >ALA~B 58 7.63 77.82 24.86 7.45 79.21 24.25 7.54 78.51 24.56 2 0 10.24 -999 ? O1 UNL B 156 >HIS~B 59 4.25 77.67 30.03 3.84 77.47 32.08 4.04 77.57 31.06 3 0 14.05 -999 ? O3 UNL B 156 >ARG~B 60 4.77 71.89 29.21 2.72 69.82 30.11 3.75 70.86 29.66 2 0 10.39 -999 ? O7 UNL B 156 >TRP~B 61 10.84 74.09 24.26 10.35 70.44 25.63 10.59 72.26 24.94 3 0 -3.72 -999 ? O3 UNL B 156s >ARG~B 62 9.33 81.27 31.15 8.47 83.76 32.71 8.90 82.52 31.93 2 0 16.49 -999 ? O1 UNL B 156 >THR~B 63 9.45 75.80 33.04 7.47 75.23 33.66 8.46 75.51 33.35 2 0 12.45 -999 ? O6 UNL B 156 >ALA~B 64 12.05 73.08 32.33 12.25 72.36 30.96 12.15 72.72 31.64 2 0 7.40 -999 ? O6 UNL B 156 >VAL~B 65 14.90 75.55 32.55 15.91 77.02 31.20 15.40 76.28 31.88 3 0 9.97 -999 ? O1 UNL B 156 >GLU~B 66 12.45 79.07 35.10 10.76 80.32 34.99 11.60 79.70 35.05 2 0 15.15 -999 ? O1 UNL B 156 >THR~B 67 12.81 73.62 37.44 10.77 73.11 36.75 11.79 73.36 37.09 2 0 12.15 -999 ? O6 UNL B 156 >LEU~B 68 14.95 70.35 34.78 13.44 68.79 34.84 14.20 69.57 34.81 3 0 8.65 -999 ? O6 UNL B 156 >GLY~B 69 18.14 73.64 34.79 17.68 73.11 34.34 17.91 73.38 34.57 1 0 10.18 -999 ? CL CL A 158 >SER^B 70 17.60 72.22 31.32 15.37 71.30 31.40 16.48 71.76 31.36 2 0 7.27 -999 ? O6 UNL B 156 >TYR^B 71 22.35 74.12 28.06 23.68 75.65 26.17 23.02 74.89 27.11 3 0 9.91 -999 ? O1 UNL B 156 >TRP^B 72 16.81 70.05 25.14 15.01 72.74 27.35 15.91 71.39 26.25 3 0 -3.61 -999 ? O1 UNL B 156s >THR^B 73 22.65 70.99 22.63 24.19 69.89 23.71 23.42 70.44 23.17 2 0 8.73 -999 ? CL CL A 157 >ILE^B 74 22.11 71.52 17.78 21.31 72.16 16.74 21.71 71.84 17.26 3 0 8.79 -999 ? O2 UNL B 156 >ASP^B 75 24.47 66.22 19.16 24.25 66.65 21.21 24.36 66.44 20.18 2 0 9.87 -999 ? O8 UNL B 156 >ALA^B 76 23.78 66.81 14.66 23.80 65.31 14.32 23.79 66.06 14.49 2 0 12.80 -999 ? O8 UNL B 156 >LEU^B 77 21.85 70.14 12.40 20.34 71.69 12.25 21.09 70.92 12.32 3 0 11.80 -999 ? O2 UNL B 156 >VAL^B 78 20.19 67.07 8.99 20.26 64.88 8.76 20.22 65.97 8.88 3 0 14.39 -999 ? CL CL A 159 >ILE^B 79 18.73 70.99 6.94 18.61 72.30 7.45 18.67 71.64 7.19 3 0 14.10 -999 ? CL CL A 159 >ASP^B 80 15.55 67.37 3.62 15.25 66.51 1.72 15.40 66.94 2.67 2 0 9.32 -999 ? CL CL A 159 >ALA.B 81 15.77 71.69 1.45 16.86 72.62 0.88 16.32 72.15 1.16 2 0 10.14 -999 ? CL CL A 159 >GLU.B 82 15.64 68.87 -2.76 15.48 70.63 -4.00 15.56 69.75 -3.38 2 0 7.47 -999 ? CL CL A 159 >THR.B 83 11.18 68.52 1.40 11.96 66.58 2.00 11.57 67.55 1.70 2 0 10.58 -999 ? O2 GOL A 160 >ALA.B 84 11.34 71.37 3.91 10.10 72.26 3.61 10.72 71.82 3.76 2 0 13.59 -999 ? O2 GOL A 160 >GLU^B 85 10.04 67.45 6.11 9.11 65.51 6.00 9.57 66.48 6.05 2 0 7.31 -999 ? O2 GOL A 160 >ALA^B 86 14.90 68.49 9.16 15.39 69.84 9.75 15.14 69.16 9.46 2 0 12.41 -999 ? O2 UNL B 156 >ALA^B 87 16.13 66.18 11.89 16.37 64.75 11.51 16.25 65.46 11.70 2 0 11.94 -999 ? O8 UNL B 156 >ILE^B 88 17.51 68.34 15.78 17.35 69.73 16.15 17.43 69.04 15.96 3 0 6.90 -999 ? O2 UNL B 156 >GLU^B 89 21.77 63.06 17.91 23.59 62.10 17.48 22.68 62.58 17.70 2 0 12.17 -999 ? O8 UNL B 156 >TRP^B 90 16.65 66.34 19.84 15.87 64.68 23.31 16.26 65.51 21.57 3 0 -3.61 -999 ? O8 UNL B 156s >THR^B 91 20.97 66.36 24.33 22.86 65.56 25.06 21.92 65.96 24.69 2 0 9.02 -999 ? O8 UNL B 156 >HIS^B 92 16.55 67.75 28.37 15.23 68.66 29.73 15.89 68.21 29.05 3 0 -4.28 -999 ? O6 UNL B 156s >PHE^B 93 23.36 68.49 29.24 25.32 67.36 27.64 24.34 67.93 28.44 3 0 5.66 -999 ? CL CL A 158 >LYS^B 94 18.76 68.18 33.29 14.38 63.85 32.12 16.57 66.02 32.71 2 0 5.84 -999 ? O6 UNL B 156 >THR.B 95 21.45 70.03 35.15 22.51 71.84 34.53 21.98 70.94 34.84 2 0 5.92 -999 ? CL CL A 158 >ASN~B 96 18.48 71.18 38.82 18.56 73.22 38.20 18.52 72.20 38.51 2 0 10.50 -999 ? CL CL A 158 >GLN~B 97 16.60 66.61 38.21 14.97 65.68 37.21 15.78 66.15 37.71 2 0 10.46 -999 ? O6 UNL B 156 >ASP~B 98 23.37 65.07 38.50 24.10 66.62 39.71 23.74 65.84 39.10 2 0 -4.28 -999 ? O3 GOL A 161s >LYS^B 99 20.74 63.67 34.53 15.73 60.74 35.97 18.24 62.21 35.25 2 0 9.70 -999 ? C1 GOL A 161 >VAL^B 100 21.24 63.50 30.78 23.29 63.71 30.02 22.26 63.61 30.40 3 0 5.49 -999 ? C1 GOL A 161 >LEU^B 101 17.24 62.89 28.36 15.53 61.90 27.49 16.39 62.39 27.92 3 0 5.30 -999 ? O6 UNL B 156 >ARG^B 102 23.57 61.93 24.37 26.09 63.43 25.38 24.83 62.68 24.87 2 0 7.71 -999 ? CL CL A 157 >GLY^B 103 17.45 61.85 21.51 18.03 62.40 21.30 17.74 62.13 21.40 1 0 7.35 -999 ? O8 UNL B 156 >ALA^B 104 16.52 62.98 18.05 17.06 62.02 16.97 16.79 62.50 17.51 2 0 9.01 -999 ? O8 UNL B 156 >GLU^B 105 13.82 67.20 17.39 13.45 68.44 19.05 13.64 67.82 18.22 2 0 -3.58 -999 ? O4 UNL B 156s >CYH^B 106 11.98 65.24 13.15 11.91 62.61 12.25 11.95 63.92 12.70 2 0 10.70 -999 ? O2 GOL A 160 >VAL^B 107 10.96 68.79 12.26 12.17 70.40 13.20 11.57 69.59 12.73 3 0 9.88 -999 ? O2 UNL B 156 >GLU^B 108 7.08 67.83 9.35 5.17 67.05 8.91 6.13 67.44 9.13 2 0 7.91 -999 ? O2 GOL A 160 >PHE^B 109 10.87 74.28 8.42 13.06 74.72 10.06 11.96 74.50 9.24 3 0 13.81 -999 ? O2 UNL B 156 >ASP^B 110 4.70 76.38 7.73 3.36 77.48 6.55 4.03 76.93 7.14 2 0 17.44 -999 ? O2 GOL A 160 >ARG.B 111 6.94 73.98 0.81 9.33 72.26 -0.04 8.13 73.12 0.38 2 0 14.18 -999 ? O2 GOL A 160 >ALA.B 112 4.86 79.87 3.31 3.33 79.97 3.40 4.09 79.92 3.36 2 0 19.95 -999 ? O2 GOL A 160 >SER.B 113 6.14 81.28 6.62 5.62 79.65 8.38 5.88 80.46 7.50 2 0 18.75 -999 ? O1 UNL B 156 >GLY.B 114 9.45 79.47 6.75 8.87 79.48 7.37 9.16 79.48 7.06 1 0 18.58 -999 ? O1 UNL B 156 >LEU^B 115 7.67 79.44 11.15 8.14 81.53 11.60 7.91 80.48 11.38 3 0 15.85 -999 ? O1 UNL B 156 >ILE^B 116 9.15 74.83 13.53 10.16 74.16 14.20 9.65 74.50 13.87 3 0 10.49 -999 ? O2 UNL B 156 >ARG^B 117 3.75 72.07 8.76 3.56 70.45 6.19 3.65 71.26 7.47 2 0 10.40 -999 ? O2 GOL A 160 >GLU^B 118 4.68 67.86 13.80 3.50 66.54 12.62 4.09 67.20 13.21 2 0 9.83 -999 ? O2 GOL A 160 >ILE^B 119 9.13 69.23 16.99 10.31 70.01 17.41 9.72 69.62 17.20 3 0 6.45 -999 ? O4 UNL B 156 >ARG^B 120 6.05 63.19 13.83 7.31 63.79 11.06 6.68 63.49 12.44 2 0 7.55 -999 ? O2 GOL A 160 >ALA^B 121 10.80 63.63 19.35 10.97 64.54 20.60 10.88 64.08 19.97 2 0 4.25 -999 ? O4 UNL B 156 >PHE^B 122 11.67 59.55 17.77 9.66 59.75 15.86 10.66 59.65 16.82 3 0 10.19 -999 ? O4 UNL B 156 >TYR^B 123 13.05 60.13 24.69 11.28 62.12 25.54 12.16 61.12 25.11 3 0 -4.75 -999 ? O7 UNL B 156s >ALA.B 124 17.86 57.24 23.58 19.33 57.80 23.63 18.60 57.52 23.60 2 0 11.08 -999 ? O9 UNL B 156 >SER.B 125 15.81 55.20 26.02 14.18 55.34 27.83 15.00 55.27 26.93 2 0 10.86 -999 ? O7 UNL B 156 >PRO.B 126 16.09 51.31 28.08 15.51 52.10 26.07 15.80 51.71 27.08 3 0 10.33 -999 ? O1 UNL A 156 >GLN.B 127 12.50 48.71 22.59 12.47 46.87 21.50 12.49 47.79 22.04 2 0 5.41 -999 ? O7 UNL A 156 >ALA.B 128 9.70 49.85 27.80 8.61 50.87 28.07 9.16 50.36 27.93 2 0 13.12 -999 ? O7 UNL A 156 >GLY.B 130 5.25 45.13 28.51 5.50 45.74 28.11 5.37 45.43 28.31 1 0 15.46 -999 ? O7 UNL A 156 >ILE.B 131 4.72 49.30 26.27 3.78 50.08 26.99 4.25 49.69 26.63 3 0 14.54 -999 ? O7 UNL A 156 >ALA.B 132 2.55 46.69 22.96 1.09 46.21 22.80 1.82 46.45 22.88 2 0 15.15 -999 ? CL CL B 157 >ARG^B 133 -0.37 50.24 18.95 -0.83 49.25 16.07 -0.60 49.75 17.51 2 0 7.79 -999 ? CL CL B 157 >LEU^B 134 7.14 51.63 21.88 7.72 50.90 23.87 7.43 51.26 22.87 3 0 10.08 -999 ? O7 UNL A 156 >GLU.B 135 2.48 54.56 19.06 1.11 53.58 17.78 1.79 54.07 18.42 2 0 10.68 -999 ? CL CL B 157 >LEU.B 136 4.50 60.02 18.63 6.31 60.76 17.78 5.40 60.39 18.21 3 0 11.27 -999 ? O7 UNL B 156 >GLY.B 137 1.58 60.08 22.10 1.81 60.46 21.41 1.69 60.27 21.76 1 0 12.01 -999 ? O7 UNL B 156 >ASP.B 138 -1.50 63.15 21.35 -1.99 63.10 23.40 -1.74 63.13 22.38 2 0 13.90 -999 ? O7 UNL B 156 >PHE.B 139 1.71 61.28 15.45 2.48 61.92 12.86 2.09 61.60 14.16 3 0 8.55 -999 ? C3 GOL A 160 >ASP.B 140 -3.69 61.47 13.81 -5.24 60.61 12.66 -4.47 61.04 13.23 2 0 11.09 -999 ? C2 GOL A 160 >TYR.B 141 1.02 56.73 14.25 3.34 57.35 15.66 2.18 57.04 14.96 3 0 8.65 -999 ? C3 GOL A 160 >ALA.B 142 -3.75 56.30 10.80 -5.00 55.66 11.38 -4.37 55.98 11.09 2 0 7.35 -999 ? CL CL B 157 >GLY.B 143 -4.88 59.76 9.55 -4.11 59.47 9.56 -4.49 59.61 9.56 1 0 9.04 -999 ? C2 GOL A 160 >ARG.B 144 -0.47 63.65 9.63 2.01 64.92 10.87 0.77 64.29 10.25 2 0 -7.74 -999 ? O2 GOL A 160s >GLY.B 145 -0.91 57.63 6.43 -0.58 57.62 7.13 -0.75 57.62 6.78 1 0 -4.06 -999 ? C1 GOL A 160s >TYR.B 146 2.86 57.17 10.05 4.55 59.40 10.35 3.70 58.29 10.20 3 0 -3.65 -999 ? C3 GOL A 160s >ARG.B 147 1.85 50.51 5.87 4.37 50.14 4.09 3.11 50.33 4.98 2 0 7.43 -999 ? O3 GOL A 160 >VAL.B 148 -0.57 50.75 11.98 -2.52 50.98 12.96 -1.54 50.86 12.47 3 0 -4.31 -999 ? CL CL B 157s >THR.B 149 -0.52 46.97 11.46 -2.34 45.85 11.56 -1.43 46.41 11.51 2 0 -4.94 -999 ? CL CL B 157s >SER.B 150 2.46 44.95 10.26 4.21 43.29 10.18 3.33 44.12 10.22 2 0 9.09 -999 ? CL CL B 157 >PRO.B 151 3.61 46.31 6.26 2.58 44.54 7.15 3.10 45.43 6.70 3 0 6.86 -999 ? CL CL B 157 >ARG.B 152 7.10 38.93 8.41 9.56 39.70 6.69 8.33 39.31 7.55 2 0 11.39 -999 ? O5 UNL A 156 >LYS.B 153 1.64 37.81 7.66 -1.11 32.62 5.39 0.27 35.21 6.52 2 0 17.29 -999 ? CL CL B 157 >PRO.B 154 0.04 37.89 11.75 1.76 36.92 10.66 0.90 37.41 11.21 3 0 12.88 -999 ? CL CL B 157 >ALA.B 155 3.73 33.24 11.74 5.08 33.04 12.41 4.41 33.14 12.08 2 0 18.50 -999 ? CL CL B 157