REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-JAN-05 1YLL COMPND CONSERVED HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 SYNONYM: PA5104; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; SOURCE 3 ORGANISM_TAXID: 208964; SOURCE 4 STRAIN: PAO1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET15B AUTHOR MIDWEST CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 15 8 HET MSE A 71 8 HET MSE B 15 8 HET MSE B 71 8 HET MSE C 15 8 HET MSE C 71 8 HET MSE D 15 8 HET MSE D 71 8 >SER.A 2 32.29 78.69 49.12 30.68 76.93 49.58 31.48 77.81 49.35 2 0 1000.00 -999 ? >GLU^A 3 35.62 77.74 46.76 37.19 78.25 45.45 36.41 77.99 46.11 2 0 1000.00 -999 ? >LEU^A 4 33.65 71.47 49.16 33.31 69.48 49.97 33.48 70.48 49.57 3 0 1000.00 -999 ? >ARG^A 5 39.53 72.60 45.25 38.64 75.43 46.11 39.09 74.01 45.68 2 0 1000.00 -999 ? >ILE^A 6 38.64 65.20 48.09 37.93 64.05 48.50 38.28 64.63 48.30 3 0 1000.00 -999 ? >LEU^A 7 43.75 67.92 49.41 43.46 70.09 49.42 43.60 69.00 49.41 3 0 1000.00 -999 ? >ARG~A 8 42.44 62.40 46.41 39.51 61.46 46.59 40.97 61.93 46.50 2 0 1000.00 -999 ? >ALA~A 9 48.06 62.68 49.24 48.17 61.50 50.16 48.12 62.09 49.70 2 0 1000.00 -999 ? >VAL~A 10 49.54 61.81 45.86 48.85 60.94 43.99 49.20 61.37 44.93 3 0 1000.00 -999 ? >ASP~A 11 48.24 66.29 44.76 47.24 65.32 43.16 47.74 65.80 43.96 2 0 1000.00 -999 ? >TYR~A 12 49.83 66.00 50.28 47.30 65.55 51.41 48.57 65.78 50.85 3 0 1000.00 -999 ? >PRO.A 13 53.38 70.66 48.16 53.82 68.52 47.78 53.60 69.59 47.97 3 0 1000.00 -999 ? >ARG^A 14 60.10 65.26 50.41 61.85 64.62 47.97 60.97 64.94 49.19 2 0 1000.00 -999 ? >MET?A 15 59.83 70.88 51.11 56.55 73.37 51.92 58.19 72.12 51.52 2 0 1000.00 -999 ? >PRO^A 16 63.41 72.73 52.36 62.70 70.61 52.38 63.05 71.67 52.37 3 0 1000.00 -999 ? >GLY^A 22 63.82 66.69 57.90 64.15 67.17 57.30 63.98 66.93 57.60 1 0 1000.00 -999 ? >SER^A 23 61.12 67.21 55.29 60.82 64.96 54.47 60.97 66.08 54.88 2 0 1000.00 -999 ? >THR^A 24 57.54 68.33 55.26 56.97 69.83 56.72 57.26 69.08 55.99 2 0 1000.00 -999 ? >GLU^A 25 55.01 65.27 52.06 54.14 63.35 51.87 54.57 64.31 51.97 2 0 1000.00 -999 ? >GLU^A 26 51.44 72.93 52.70 52.03 74.88 52.23 51.74 73.90 52.47 2 0 1000.00 -999 ? >ILE^A 27 47.74 68.85 53.87 47.09 67.85 54.57 47.42 68.35 54.22 3 0 1000.00 -999 ? >ALA^A 28 47.08 72.99 52.51 45.56 72.75 52.67 46.32 72.87 52.59 2 0 1000.00 -999 ? >ARG^A 29 50.13 78.55 51.70 53.03 78.60 52.70 51.58 78.57 52.20 2 0 1000.00 -999 ? >ASP^A 30 44.38 80.39 54.63 45.88 81.59 55.47 45.13 80.99 55.05 2 0 1000.00 -999 ? >GLY^A 31 47.30 81.34 51.26 47.62 81.32 52.00 47.46 81.33 51.63 1 0 1000.00 -999 ? >GLY^A 32 50.35 83.53 51.17 50.36 82.79 50.80 50.36 83.16 50.99 1 0 1000.00 -999 ? >ASP^A 33 54.74 83.83 49.57 53.39 85.08 48.57 54.06 84.45 49.07 2 0 1000.00 -999 ? >GLY^A 34 56.72 81.00 52.42 55.96 80.96 52.58 56.34 80.98 52.50 1 0 1000.00 -999 ? >LEU^A 35 57.71 78.76 56.49 57.59 76.68 55.86 57.65 77.72 56.18 3 0 1000.00 -999 ? >ASP^A 36 57.32 84.12 56.90 57.61 85.58 58.35 57.46 84.85 57.63 2 0 1000.00 -999 ? >GLY^A 37 53.11 84.31 55.02 52.97 83.67 55.31 53.04 83.99 55.17 1 0 1000.00 -999 ? >PHE^A 38 51.18 79.88 56.71 52.75 78.63 58.66 51.96 79.25 57.68 3 0 1000.00 -999 ? >GLY^A 39 47.27 82.41 58.28 47.65 81.65 58.02 47.46 82.03 58.15 1 0 1000.00 -999 ? >TRP^A 40 43.61 78.94 57.95 43.84 75.93 55.39 43.72 77.43 56.67 3 0 1000.00 -999 ? >ARG^A 41 52.64 75.50 56.12 54.74 73.37 56.61 53.69 74.44 56.36 2 0 1000.00 -999 ? >LEU^A 42 47.02 71.31 57.37 45.97 69.85 58.61 46.49 70.58 57.99 3 0 1000.00 -999 ? >SER^A 43 51.25 69.43 56.93 52.92 70.51 58.29 52.08 69.97 57.61 2 0 1000.00 -999 ? >ILE^A 44 52.33 64.85 56.57 51.67 63.70 56.24 52.00 64.28 56.40 3 0 1000.00 -999 ? >ALA^A 45 56.39 66.03 58.56 56.86 67.13 59.51 56.62 66.58 59.04 2 0 1000.00 -999 ? >ASP^A 46 59.65 62.73 57.46 58.30 61.57 56.37 58.97 62.15 56.91 2 0 1000.00 -999 ? >VAL^A 47 61.28 63.49 61.75 60.67 64.72 63.43 60.97 64.10 62.59 3 0 1000.00 -999 ? >GLY^A 48 64.25 61.08 61.54 64.37 61.67 62.00 64.31 61.38 61.77 1 0 1000.00 -999 ? >GLU^A 49 68.50 62.07 62.32 70.13 62.92 61.25 69.31 62.49 61.79 2 0 1000.00 -999 ? >SER^A 50 66.26 64.12 67.51 66.15 62.41 69.19 66.20 63.26 68.35 2 0 1000.00 -999 ? >GLY^A 51 66.93 67.81 67.21 66.14 67.72 67.51 66.54 67.76 67.36 1 0 1000.00 -999 ? >GLY^A 52 65.44 71.25 67.42 65.38 70.81 66.74 65.41 71.03 67.08 1 0 1000.00 -999 ? >PHE^A 53 60.35 70.92 66.35 59.37 68.29 66.26 59.86 69.60 66.31 3 0 1000.00 -999 ? >SER^A 54 62.56 75.62 63.64 63.62 76.41 61.61 63.09 76.01 62.63 2 0 1000.00 -999 ? >GLY^A 55 60.56 78.53 65.03 60.60 78.39 64.21 60.58 78.46 64.62 1 0 1000.00 -999 ? >PHE^A 56 56.52 77.90 62.21 57.09 76.05 60.18 56.81 76.97 61.19 3 0 1000.00 -999 ? >ALA^A 57 57.38 83.17 65.36 58.41 84.28 65.13 57.90 83.72 65.24 2 0 1000.00 -999 ? >GLY^A 58 53.94 84.44 66.20 54.04 83.66 66.11 53.99 84.05 66.15 1 0 1000.00 -999 ? >TYR^A 59 52.57 81.06 62.84 52.58 82.27 60.30 52.57 81.67 61.57 3 0 1000.00 -999 ? >GLN^A 60 48.35 77.64 68.69 49.22 77.56 70.64 48.78 77.60 69.67 2 0 1000.00 -999 ? >ARG^A 61 55.04 75.23 65.70 56.55 72.95 64.29 55.79 74.09 64.99 2 0 1000.00 -999 ? >ILE^A 62 47.87 71.70 67.35 46.55 71.76 67.98 47.21 71.73 67.66 3 0 1000.00 -999 ? >ILE^A 63 52.89 68.64 66.82 54.18 68.13 67.11 53.54 68.38 66.96 3 0 1000.00 -999 ? >SER^A 64 50.35 64.89 66.63 47.94 65.55 66.58 49.14 65.22 66.60 2 0 1000.00 -999 ? >VAL^A 65 52.46 61.92 65.82 53.64 60.71 67.27 53.05 61.32 66.55 3 0 1000.00 -999 ? >LEU^A 66 51.00 60.10 61.63 49.65 61.48 60.71 50.33 60.79 61.17 3 0 1000.00 -999 ? >GLU^A 67 52.50 56.61 60.64 52.75 55.89 58.67 52.63 56.25 59.65 2 0 1000.00 -999 ? >GLY^A 68 56.54 55.65 64.87 55.85 55.62 65.28 56.19 55.63 65.07 1 0 1000.00 -999 ? >GLY^A 69 57.56 55.24 68.49 57.38 55.91 68.18 57.47 55.57 68.33 1 0 1000.00 -999 ? >GLY^A 70 56.64 58.75 69.49 57.40 58.64 69.23 57.02 58.69 69.36 1 0 1000.00 -999 ? >MET?A 71 58.50 61.72 70.82 57.07 64.85 68.15 57.78 63.28 69.48 2 0 1000.00 -999 ? >ARG^A 72 60.49 63.20 77.36 63.36 62.17 76.91 61.93 62.69 77.13 2 0 1000.00 -999 ? >LEU^A 73 58.01 68.38 72.55 57.64 68.25 70.45 57.82 68.31 71.50 3 0 1000.00 -999 ? >ARG^A 74 64.40 70.05 77.64 65.20 67.31 76.51 64.80 68.68 77.07 2 0 1000.00 -999 ? >VAL^A 75 59.51 73.40 75.30 57.51 73.53 74.44 58.51 73.46 74.87 3 0 1000.00 -999 ? >ASP^A 76 60.46 77.36 77.19 59.77 78.39 75.46 60.12 77.88 76.33 2 0 1000.00 -999 ? >GLY^A 77 63.26 73.81 79.12 62.54 73.65 78.89 62.90 73.73 79.00 1 0 1000.00 -999 ? >ALA^A 78 60.13 71.90 80.16 58.85 72.65 80.51 59.49 72.28 80.33 2 0 1000.00 -999 ? >GLU^A 79 62.03 67.01 78.94 63.10 65.29 79.57 62.56 66.15 79.26 2 0 1000.00 -999 ? >SER^A 80 56.43 67.12 77.72 56.44 66.18 75.44 56.43 66.65 76.58 2 0 1000.00 -999 ? >ALA^A 81 55.07 63.71 78.54 53.64 63.45 79.01 54.36 63.58 78.77 2 0 1000.00 -999 ? >PRO^A 82 56.27 59.61 77.92 55.63 61.30 76.63 55.95 60.45 77.28 3 0 1000.00 -999 ? >LEU^A 83 53.88 63.01 72.12 53.40 64.95 72.95 53.64 63.98 72.53 3 0 1000.00 -999 ? >ARG^A 84 53.87 56.56 72.56 54.72 55.71 75.39 54.29 56.13 73.98 2 0 1000.00 -999 ? >ALA^A 85 50.06 58.38 67.98 49.74 57.06 67.33 49.90 57.72 67.65 2 0 1000.00 -999 ? >ARG^A 86 44.96 58.42 65.61 46.34 55.67 65.86 45.65 57.05 65.73 2 0 1000.00 -999 ? >GLN^A 87 48.32 60.55 72.39 49.37 59.60 73.96 48.85 60.08 73.18 2 0 1000.00 -999 ? >ALA^A 88 47.73 66.22 70.00 46.47 66.95 69.48 47.10 66.59 69.74 2 0 1000.00 -999 ? >PHE^A 89 52.38 68.69 72.97 53.99 70.18 74.69 53.19 69.44 73.83 3 0 1000.00 -999 ? >ALA^A 90 49.95 72.42 71.53 48.63 73.11 71.89 49.29 72.77 71.71 2 0 1000.00 -999 ? >PHE^A 91 54.72 73.48 70.61 55.74 72.51 68.16 55.23 72.99 69.39 3 0 1000.00 -999 ? >SER^A 92 53.98 78.25 70.75 54.53 80.59 71.03 54.26 79.42 70.89 2 0 1000.00 -999 ? >GLY^A 93 55.99 78.90 67.60 56.03 79.33 68.34 56.01 79.11 67.97 1 0 1000.00 -999 ? >ASP^A 94 57.19 82.57 70.53 56.27 84.04 69.31 56.73 83.31 69.92 2 0 1000.00 -999 ? >SER^A 95 59.20 78.70 72.01 57.42 78.14 73.59 58.31 78.42 72.80 2 0 1000.00 -999 ? >GLU^A 96 64.21 78.89 72.40 66.18 79.29 73.05 65.19 79.09 72.73 2 0 1000.00 -999 ? >VAL^A 97 61.71 73.38 71.17 59.65 72.94 70.61 60.68 73.16 70.89 3 0 1000.00 -999 ? >HIS^A 98 65.86 68.86 71.82 66.83 67.04 71.44 66.34 67.95 71.63 3 0 1000.00 -999 ? >CYH^A 99 62.38 66.95 69.91 61.06 65.28 68.13 61.72 66.11 69.02 2 0 1000.00 -999 ? >THR^A 100 63.62 63.69 71.40 64.58 63.38 73.32 64.10 63.53 72.36 2 0 1000.00 -999 ? >LEU^A 101 63.22 60.20 68.02 62.73 61.10 66.10 62.98 60.65 67.06 3 0 1000.00 -999 ? >LEU^A 102 60.12 57.55 72.13 59.19 58.81 73.62 59.65 58.18 72.88 3 0 1000.00 -999 ? >ASP^A 103 61.76 53.71 69.91 62.62 51.90 69.23 62.19 52.80 69.57 2 0 1000.00 -999 ? >GLY^A 104 63.28 55.85 65.81 62.85 56.36 66.21 63.07 56.11 66.01 1 0 1000.00 -999 ? >ALA^A 105 61.81 58.00 63.05 62.10 57.81 61.58 61.95 57.90 62.32 2 0 1000.00 -999 ? >ILE^A 106 57.84 59.90 64.52 58.18 60.51 65.84 58.01 60.21 65.18 3 0 1000.00 -999 ? >ARG^A 107 56.01 60.35 57.38 54.26 60.95 54.93 55.14 60.65 56.15 2 0 1000.00 -999 ? >ASP^A 108 54.40 64.64 63.40 55.61 66.07 62.46 55.01 65.35 62.93 2 0 1000.00 -999 ? >PHE^A 109 48.09 65.80 61.17 45.77 66.96 60.12 46.93 66.38 60.65 3 0 1000.00 -999 ? >ASN^A 110 52.32 70.13 61.75 53.91 69.37 62.98 53.11 69.75 62.36 2 0 1000.00 -999 ? >LEU^A 111 47.20 72.43 63.04 45.70 73.98 62.62 46.45 73.20 62.83 3 0 1000.00 -999 ? >ILE^A 112 51.59 76.10 61.77 53.05 76.17 61.78 52.32 76.13 61.77 3 0 1000.00 -999 ? >TYR^A 113 46.14 78.39 64.22 45.31 78.00 66.87 45.73 78.19 65.54 3 0 1000.00 -999 ? >ALA^A 114 48.03 82.71 63.58 48.07 83.81 62.51 48.05 83.26 63.05 2 0 1000.00 -999 ? >PRO^A 115 47.99 82.91 67.97 46.49 82.77 66.32 47.24 82.84 67.14 3 0 1000.00 -999 ? >ARG^A 116 47.50 88.68 68.72 47.32 88.57 71.79 47.41 88.62 70.25 2 0 1000.00 -999 ? >ARG^A 117 46.04 87.29 61.01 48.56 86.26 59.67 47.30 86.77 60.34 2 0 1000.00 -999 ? >HIS^A 118 43.00 81.94 60.96 43.10 82.56 58.96 43.05 82.25 59.96 3 0 1000.00 -999 ? >ARG^A 119 37.13 82.21 68.04 35.25 80.07 66.94 36.19 81.14 67.49 2 0 1000.00 -999 ? >ALA^A 120 40.78 76.81 65.71 42.29 76.58 65.54 41.53 76.70 65.63 2 0 1000.00 -999 ? >ARG^A 121 36.04 71.97 67.65 35.66 69.16 68.82 35.85 70.57 68.23 2 0 1000.00 -999 ? >LEU^A 122 42.95 70.26 66.36 44.50 68.82 65.87 43.73 69.54 66.11 3 0 1000.00 -999 ? >GLN^A 123 38.28 65.51 68.58 36.42 65.61 69.61 37.35 65.56 69.10 2 0 1000.00 -999 ? >TRP^A 124 44.52 63.74 66.93 45.25 62.18 63.40 44.88 62.96 65.17 3 0 1000.00 -999 ? >LEU^A 125 36.89 61.69 65.12 35.77 63.43 65.80 36.33 62.56 65.46 3 0 1000.00 -999 ? >ARG^A 126 39.28 53.92 66.28 39.04 50.89 66.54 39.16 52.41 66.41 2 0 1000.00 -999 ? >VAL^A 127 34.96 56.58 62.54 34.50 57.75 60.73 34.73 57.17 61.63 3 0 1000.00 -999 ? >GLU^A 128 34.64 52.88 65.49 34.44 53.25 67.57 34.54 53.07 66.53 2 0 1000.00 -999 ? >GLY^A 129 30.42 52.89 60.85 30.89 53.60 60.93 30.66 53.25 60.89 1 0 1000.00 -999 ? >GLU^A 130 27.30 57.90 60.34 25.21 58.03 60.63 26.25 57.96 60.49 2 0 1000.00 -999 ? >LEU^A 131 31.05 59.65 63.75 32.75 60.97 63.69 31.90 60.31 63.72 3 0 1000.00 -999 ? >ASP^A 132 26.98 63.05 62.01 25.47 62.92 63.52 26.23 62.99 62.77 2 0 1000.00 -999 ? >TRP^A 133 30.89 69.01 63.34 33.13 66.51 61.28 32.01 67.76 62.31 3 0 1000.00 -999 ? >HIS^A 134 24.46 69.43 63.26 22.89 68.22 62.56 23.67 68.82 62.91 3 0 1000.00 -999 ? >GLY^A 135 29.13 73.13 63.15 28.65 73.15 62.45 28.89 73.14 62.80 1 0 1000.00 -999 ? >THR^A 136 29.29 76.66 61.84 27.99 78.24 62.46 28.64 77.45 62.15 2 0 1000.00 -999 ? >ALA^A 137 33.01 76.71 61.06 34.03 75.59 61.42 33.52 76.15 61.24 2 0 1000.00 -999 ? >SER^A 138 33.71 78.36 57.72 35.49 80.04 57.97 34.60 79.20 57.84 2 0 1000.00 -999 ? >THR^A 139 36.77 76.19 57.09 38.73 76.93 56.46 37.75 76.56 56.77 2 0 1000.00 -999 ? >LEU^A 140 35.72 71.60 57.68 35.47 69.62 58.66 35.59 70.61 58.17 3 0 1000.00 -999 ? >LEU^A 141 41.40 70.77 57.26 42.63 72.28 56.35 42.02 71.53 56.81 3 0 1000.00 -999 ? >LEU^A 142 37.79 66.07 57.15 37.72 64.35 58.50 37.76 65.21 57.83 3 0 1000.00 -999 ? >PHE^A 143 44.78 64.04 57.83 47.06 62.42 57.50 45.92 63.23 57.67 3 0 1000.00 -999 ? >ALA^A 144 42.02 60.67 57.03 41.25 60.01 55.87 41.63 60.34 56.45 2 0 1000.00 -999 ? >GLN^A 145 46.59 57.82 60.20 47.30 57.56 62.19 46.94 57.69 61.19 2 0 1000.00 -999 ? >GLN^A 146 43.80 54.27 59.61 42.98 53.05 61.17 43.39 53.66 60.39 2 0 1000.00 -999 ? >ASP^A 147 42.44 53.51 53.14 41.44 53.40 51.27 41.94 53.45 52.20 2 0 1000.00 -999 ? >GLY^A 148 38.15 54.56 53.47 38.38 55.11 53.87 38.27 54.84 53.67 1 0 1000.00 -999 ? >VAL^A 149 36.21 57.53 54.85 36.87 58.58 56.64 36.54 58.05 55.75 3 0 1000.00 -999 ? >ALA^A 150 33.22 58.81 52.90 32.10 57.94 52.45 32.66 58.38 52.68 2 0 1000.00 -999 ? >ILE^A 151 33.08 63.37 53.69 34.00 64.23 54.42 33.54 63.80 54.06 3 0 1000.00 -999 ? >SER^A 152 28.52 63.88 53.27 27.32 61.76 52.95 27.92 62.82 53.11 2 0 1000.00 -999 ? >LEU^A 153 28.64 68.57 53.21 28.89 70.63 53.89 28.76 69.60 53.55 3 0 1000.00 -999 ? >GLN^A 154 24.71 71.17 54.10 24.08 71.97 55.98 24.40 71.57 55.04 2 0 1000.00 -999 ? >GLY^A 155 23.07 65.18 53.30 23.64 65.54 52.93 23.35 65.36 53.12 1 0 1000.00 -999 ? >GLN^A 156 23.90 67.43 48.93 24.26 68.89 47.41 24.08 68.16 48.17 2 0 1000.00 -999 ? >PRO^A 157 26.11 61.15 49.09 27.11 63.13 49.40 26.61 62.14 49.25 3 0 1000.00 -999 ? >ARG^A 158 29.37 67.22 48.92 30.01 70.05 47.90 29.69 68.63 48.41 2 0 1000.00 -999 ? >GLY^A 159 33.52 61.94 48.05 33.20 61.85 48.81 33.36 61.90 48.43 1 0 1000.00 -999 ? >GLN^A 160 34.10 57.41 49.14 32.92 58.25 47.56 33.51 57.83 48.35 2 0 1000.00 -999 ? >LEU^A 161 39.30 60.51 52.55 38.62 62.52 52.92 38.96 61.52 52.73 3 0 1000.00 -999 ? >ALA^A 162 42.10 57.34 50.87 42.87 57.05 49.56 42.48 57.19 50.21 2 0 1000.00 -999 ? >ALA^A 163 44.88 57.23 53.53 45.84 56.06 53.83 45.36 56.65 53.68 2 0 1000.00 -999 ? >HIS^A 164 48.53 59.89 54.97 49.73 59.07 56.47 49.13 59.48 55.72 3 0 1000.00 -999 ? >ASP^A 165 42.76 61.78 50.92 43.50 60.74 49.22 43.13 61.26 50.07 2 0 1000.00 -999 ? >CYH^A 166 42.21 65.50 53.24 42.84 67.61 55.04 42.52 66.55 54.14 2 0 1000.00 -999 ? >LEU^A 167 37.52 66.76 53.05 35.66 67.88 53.06 36.59 67.32 53.06 3 0 1000.00 -999 ? >CYH^A 168 39.22 70.99 52.50 40.91 73.21 52.26 40.07 72.10 52.38 2 0 1000.00 -999 ? >ALA^A 169 36.14 73.16 52.65 34.89 72.56 53.25 35.52 72.86 52.95 2 0 1000.00 -999 ? >GLU^A 170 38.88 76.98 52.66 40.50 77.90 51.68 39.69 77.44 52.17 2 0 1000.00 -999 ? >GLY^A 171 33.92 79.91 52.99 33.74 79.16 53.24 33.83 79.53 53.12 1 0 1000.00 -999 ? >LEU^A 172 31.23 76.49 55.15 31.63 74.58 54.24 31.43 75.54 54.70 3 0 1000.00 -999 ? >GLN^A 173 28.66 81.93 54.49 27.85 83.90 54.23 28.25 82.92 54.36 2 0 1000.00 -999 ? >GLY^A 174 25.67 78.76 58.40 26.41 78.40 58.35 26.04 78.58 58.37 1 0 1000.00 -999 ? >LEU^A 175 24.11 75.18 61.28 24.18 73.90 63.07 24.15 74.54 62.17 3 0 1000.00 -999 ? >GLN^A 176 28.60 74.00 57.33 27.46 74.67 55.69 28.03 74.33 56.51 2 0 1000.00 -999 ? >HIS^A 177 24.24 67.05 59.53 23.78 65.19 60.39 24.01 66.12 59.96 3 0 1000.00 -999 ? >TRP^A 178 30.63 69.69 59.14 32.01 69.75 55.46 31.32 69.72 57.30 3 0 1000.00 -999 ? >ARG^A 179 25.40 60.66 58.18 25.36 57.94 56.77 25.38 59.30 57.47 2 0 1000.00 -999 ? >LEU^A 180 32.78 60.69 58.85 33.95 62.48 58.69 33.37 61.58 58.77 3 0 1000.00 -999 ? >THR^A 181 31.12 56.80 57.18 29.41 57.01 55.83 30.26 56.91 56.50 2 0 1000.00 -999 ? >ALA^A 182 33.58 53.90 56.94 34.78 54.26 57.84 34.18 54.08 57.39 2 0 1000.00 -999 ? >HIS^A 183 33.20 49.62 54.04 32.22 49.93 52.21 32.71 49.78 53.13 3 0 1000.00 -999 ? >GLU^A 184 37.31 47.67 57.51 36.63 46.07 58.68 36.97 46.87 58.09 2 0 1000.00 -999 ? >PRO^A 185 37.02 49.87 63.28 37.28 51.16 61.48 37.15 50.51 62.38 3 0 1000.00 -999 ? >ALA^A 186 39.33 54.72 60.51 38.82 55.03 59.12 39.07 54.87 59.81 2 0 1000.00 -999 ? >TRP^A 187 42.74 55.39 64.68 41.24 57.43 67.68 41.99 56.41 66.18 3 0 1000.00 -999 ? >VAL^A 188 40.53 61.03 61.07 38.41 60.89 60.41 39.47 60.96 60.74 3 0 1000.00 -999 ? >CYH^A 189 41.51 64.44 62.36 43.35 66.11 63.65 42.43 65.27 63.01 2 0 1000.00 -999 ? >ALA^A 190 38.93 67.21 62.11 37.50 67.06 62.65 38.22 67.14 62.38 2 0 1000.00 -999 ? >VAL^A 191 40.44 70.70 62.00 42.57 71.01 61.73 41.51 70.85 61.86 3 0 1000.00 -999 ? >GLU^A 192 36.06 72.14 62.34 34.64 71.47 63.73 35.35 71.80 63.04 2 0 1000.00 -999 ? >LEU^A 193 40.26 77.42 60.63 42.27 76.60 60.90 41.26 77.01 60.76 3 0 1000.00 -999 ? >ASP^A 194 36.08 80.78 62.50 34.35 79.71 62.00 35.22 80.24 62.25 2 0 1000.00 -999 ? >SER^A 195 38.62 83.91 60.45 38.89 83.59 58.09 38.76 83.75 59.27 2 0 1000.00 -999 ? >LEU^A 196 38.63 87.95 62.44 39.86 89.26 61.22 39.24 88.60 61.83 3 0 1000.00 -999 ? >GLU^B 3 35.51 80.42 86.25 37.46 79.60 86.00 36.48 80.01 86.13 2 0 1000.00 -999 ? >LEU^B 4 34.92 76.65 85.05 34.69 74.61 84.39 34.80 75.63 84.72 3 0 1000.00 -999 ? >ARG^B 5 28.34 78.56 87.34 25.40 78.18 88.12 26.87 78.37 87.73 2 0 1000.00 -999 ? >ILE^B 6 29.89 70.87 87.34 30.64 69.60 87.18 30.27 70.23 87.26 3 0 1000.00 -999 ? >LEU^B 7 24.67 72.93 85.34 24.81 75.00 84.76 24.74 73.96 85.05 3 0 1000.00 -999 ? >ARG^B 8 26.25 68.53 89.74 29.15 67.52 89.67 27.70 68.03 89.70 2 0 1000.00 -999 ? >ALA^B 9 20.44 68.04 87.09 20.32 66.65 86.51 20.38 67.35 86.80 2 0 1000.00 -999 ? >VAL^B 10 18.86 68.14 90.56 19.46 68.18 92.68 19.16 68.16 91.62 3 0 1000.00 -999 ? >ASP^B 11 20.07 72.74 90.36 21.04 72.28 92.19 20.55 72.51 91.28 2 0 1000.00 -999 ? >TYR^B 12 18.55 70.73 85.09 21.09 70.01 84.17 19.82 70.37 84.63 3 0 1000.00 -999 ? >PRO^B 13 14.73 75.51 85.38 14.39 73.64 86.56 14.56 74.58 85.97 3 0 1000.00 -999 ? >ARG^B 14 8.92 68.80 85.09 10.75 66.53 84.11 9.84 67.67 84.60 2 0 1000.00 -999 ? >MET?B 15 8.09 73.81 82.78 6.49 76.65 83.64 7.29 75.23 83.21 2 0 1000.00 -999 ? >PRO^B 16 3.82 72.79 82.99 5.58 72.28 81.74 4.70 72.53 82.37 3 0 1000.00 -999 ? >TRP^B 17 6.88 71.89 76.92 7.26 69.27 73.99 7.07 70.58 75.46 3 0 1000.00 -999 ? >LYS^B 18 0.88 74.68 77.26 0.06 78.15 80.25 0.47 76.42 78.75 2 0 1000.00 -999 ? >ASN^B 19 -0.22 71.71 73.58 1.72 70.84 73.29 0.75 71.27 73.44 2 0 1000.00 -999 ? >GLY^B 20 0.20 69.14 77.65 0.52 69.19 76.95 0.36 69.17 77.30 1 0 1000.00 -999 ? >ALA^B 21 2.28 67.23 75.10 2.33 67.63 73.64 2.31 67.43 74.37 2 0 1000.00 -999 ? >GLY^B 22 5.51 67.49 77.09 5.04 68.13 77.35 5.27 67.81 77.22 1 0 1000.00 -999 ? >SER^B 23 7.63 69.51 79.53 8.15 67.87 81.24 7.89 68.69 80.39 2 0 1000.00 -999 ? >THR^B 24 11.02 71.17 79.42 11.56 72.41 77.74 11.29 71.79 78.58 2 0 1000.00 -999 ? >GLU^B 25 13.64 69.17 83.40 14.63 67.50 84.26 14.13 68.34 83.83 2 0 1000.00 -999 ? >GLU^B 26 16.85 76.62 80.68 16.13 78.60 80.51 16.49 77.61 80.60 2 0 1000.00 -999 ? >ILE^B 27 20.74 72.48 80.85 21.38 71.29 80.51 21.06 71.88 80.68 3 0 1000.00 -999 ? >ALA^B 28 21.33 76.84 81.00 22.82 76.62 80.93 22.07 76.73 80.97 2 0 1000.00 -999 ? >ARG^B 29 18.08 82.37 79.92 15.18 81.93 78.99 16.63 82.15 79.46 2 0 1000.00 -999 ? >ASP^B 30 23.86 83.24 76.89 22.50 84.45 75.82 23.18 83.85 76.36 2 0 1000.00 -999 ? >GLY^B 37 15.40 87.03 74.11 15.64 86.39 74.60 15.52 86.71 74.35 1 0 1000.00 -999 ? >PHE^B 38 17.24 82.37 74.90 15.64 80.52 73.48 16.44 81.44 74.19 3 0 1000.00 -999 ? >GLY^B 39 21.38 84.27 72.89 20.93 83.62 73.28 21.15 83.94 73.08 1 0 1000.00 -999 ? >TRP^B 40 24.77 81.05 74.18 24.52 78.89 77.48 24.65 79.97 75.83 3 0 1000.00 -999 ? >ARG^B 41 15.71 77.97 76.79 13.22 76.51 75.79 14.46 77.24 76.29 2 0 1000.00 -999 ? >LEU^B 42 21.57 73.94 76.92 22.76 72.30 76.11 22.16 73.12 76.52 3 0 1000.00 -999 ? >SER^B 43 17.43 72.07 77.65 15.72 72.68 76.03 16.58 72.38 76.84 2 0 1000.00 -999 ? >ILE^B 44 16.59 67.67 79.34 17.21 66.64 80.01 16.90 67.15 79.68 3 0 1000.00 -999 ? >ALA^B 45 12.50 67.75 77.28 11.99 68.50 76.03 12.25 68.13 76.65 2 0 1000.00 -999 ? >ASP^B 46 9.38 64.74 79.29 10.77 63.99 80.67 10.08 64.37 79.98 2 0 1000.00 -999 ? >VAL^B 47 7.67 64.58 74.95 8.27 65.47 73.04 7.97 65.02 74.00 3 0 1000.00 -999 ? >GLY^B 48 4.70 62.37 75.72 4.60 62.85 75.09 4.65 62.61 75.40 1 0 1000.00 -999 ? >GLU^B 49 0.35 63.22 74.34 -1.46 64.23 74.79 -0.56 63.73 74.57 2 0 1000.00 -999 ? >SER^B 50 2.85 63.93 69.12 2.94 61.77 68.01 2.89 62.85 68.57 2 0 1000.00 -999 ? >GLY^B 51 2.17 67.53 68.26 2.98 67.35 68.01 2.57 67.44 68.14 1 0 1000.00 -999 ? >GLY^B 52 3.65 70.72 66.92 3.68 70.53 67.72 3.67 70.63 67.32 1 0 1000.00 -999 ? >PHE^B 53 8.49 70.90 68.22 9.35 68.34 69.01 8.92 69.62 68.61 3 0 1000.00 -999 ? >SER^B 54 6.20 76.18 69.44 5.76 77.93 71.08 5.98 77.06 70.26 2 0 1000.00 -999 ? >GLY^B 55 8.16 78.59 67.30 8.11 78.70 68.09 8.14 78.64 67.69 1 0 1000.00 -999 ? >PHE^B 56 12.14 78.85 70.22 11.43 77.69 72.66 11.78 78.27 71.44 3 0 1000.00 -999 ? >ALA^B 57 11.37 82.90 65.56 10.35 84.05 65.43 10.86 83.48 65.49 2 0 1000.00 -999 ? >GLY^B 58 14.80 83.78 64.28 14.68 83.11 64.68 14.74 83.45 64.48 1 0 1000.00 -999 ? >TYR^B 59 16.06 81.64 68.60 16.13 83.60 70.59 16.09 82.62 69.59 3 0 1000.00 -999 ? >GLN^B 60 20.47 76.67 64.09 19.58 76.04 62.25 20.02 76.35 63.17 2 0 1000.00 -999 ? >ARG^B 61 13.81 75.11 67.72 12.23 73.34 69.64 13.02 74.22 68.68 2 0 1000.00 -999 ? >ILE^B 62 20.88 71.31 67.08 22.19 71.17 66.47 21.54 71.24 66.77 3 0 1000.00 -999 ? >ILE^B 63 15.84 68.44 68.34 14.58 67.80 68.20 15.21 68.12 68.27 3 0 1000.00 -999 ? >SER^B 64 18.53 65.02 69.70 20.91 65.70 69.52 19.72 65.36 69.61 2 0 1000.00 -999 ? >VAL^B 65 16.54 62.09 71.12 15.09 60.59 70.38 15.82 61.34 70.75 3 0 1000.00 -999 ? >LEU^B 66 17.99 61.60 75.72 18.45 63.69 75.79 18.22 62.65 75.76 3 0 1000.00 -999 ? >GLU^B 67 15.18 56.56 77.55 15.00 56.64 79.67 15.09 56.60 78.61 2 0 1000.00 -999 ? >GLY^B 68 12.75 56.22 73.85 13.44 56.12 73.40 13.10 56.17 73.63 1 0 1000.00 -999 ? >GLY^B 69 11.55 54.95 70.48 11.76 55.70 70.62 11.66 55.33 70.55 1 0 1000.00 -999 ? >GLY^B 70 12.38 58.18 68.70 11.62 58.10 68.95 12.00 58.14 68.82 1 0 1000.00 -999 ? >MET?B 71 10.47 60.61 66.57 11.93 64.42 68.19 11.20 62.52 67.38 2 0 1000.00 -999 ? >ARG^B 72 8.43 60.32 59.78 5.83 58.93 60.65 7.13 59.63 60.22 2 0 1000.00 -999 ? >LEU^B 73 10.89 66.43 62.89 11.29 67.15 64.85 11.09 66.79 63.87 3 0 1000.00 -999 ? >ARG^B 74 4.53 66.82 57.65 2.51 66.39 59.94 3.52 66.60 58.79 2 0 1000.00 -999 ? >VAL^B 75 9.49 70.56 58.90 11.49 70.86 59.68 10.49 70.71 59.29 3 0 1000.00 -999 ? >ASP^B 76 8.80 73.91 55.96 9.25 75.43 57.32 9.02 74.67 56.64 2 0 1000.00 -999 ? >GLY^B 77 6.22 69.86 54.90 6.91 69.78 55.23 6.56 69.82 55.07 1 0 1000.00 -999 ? >ALA^B 78 9.38 67.77 54.69 10.73 68.35 54.37 10.05 68.06 54.53 2 0 1000.00 -999 ? >GLU^B 79 7.03 63.72 56.06 5.62 62.71 57.24 6.32 63.22 56.65 2 0 1000.00 -999 ? >SER^B 80 12.60 63.64 58.40 12.44 63.33 60.82 12.52 63.49 59.61 2 0 1000.00 -999 ? >ALA^B 81 14.03 60.18 58.52 15.46 59.81 58.20 14.75 60.00 58.36 2 0 1000.00 -999 ? >PRO^B 82 12.55 56.59 60.45 13.43 58.55 61.10 12.99 57.57 60.77 3 0 1000.00 -999 ? >LEU^B 83 15.07 61.52 64.96 15.55 63.11 63.58 15.31 62.32 64.27 3 0 1000.00 -999 ? >ARG^B 84 15.87 54.12 66.28 13.38 53.33 67.86 14.62 53.72 67.07 2 0 1000.00 -999 ? >ALA^B 85 19.00 58.27 70.25 19.35 57.20 71.27 19.18 57.74 70.76 2 0 1000.00 -999 ? >ARG^B 86 24.02 59.04 72.46 22.68 56.36 73.10 23.35 57.70 72.78 2 0 1000.00 -999 ? >GLN^B 87 20.62 59.18 65.39 19.69 57.89 63.97 20.15 58.53 64.68 2 0 1000.00 -999 ? >ALA^B 88 21.13 65.34 66.10 22.35 66.19 66.39 21.74 65.76 66.24 2 0 1000.00 -999 ? >PHE^B 89 16.55 66.86 62.58 14.92 67.68 60.48 15.73 67.27 61.53 3 0 1000.00 -999 ? >ALA^B 90 18.84 70.86 62.86 20.12 71.50 62.33 19.48 71.18 62.59 2 0 1000.00 -999 ? >PHE^B 91 14.14 72.11 63.47 13.20 71.88 66.12 13.67 72.00 64.80 3 0 1000.00 -999 ? >SER^B 92 14.87 76.63 61.97 14.26 78.76 60.99 14.56 77.69 61.48 2 0 1000.00 -999 ? >GLY^B 93 12.76 78.04 64.75 12.74 78.28 63.94 12.75 78.16 64.35 1 0 1000.00 -999 ? >ASP^B 94 11.57 80.77 60.90 12.74 82.30 61.70 12.15 81.53 61.30 2 0 1000.00 -999 ? >SER^B 95 9.76 76.65 60.44 11.61 75.77 59.14 10.69 76.21 59.79 2 0 1000.00 -999 ? >GLU^B 96 4.55 76.46 60.13 2.55 76.49 59.44 3.55 76.48 59.79 2 0 1000.00 -999 ? >VAL^B 97 7.23 71.73 62.78 9.33 71.52 63.34 8.28 71.63 63.06 3 0 1000.00 -999 ? >HIS^B 98 3.14 67.22 63.60 2.15 65.59 64.47 2.65 66.40 64.04 3 0 1000.00 -999 ? >CYH^B 99 6.63 65.86 65.90 7.91 64.80 68.17 7.27 65.33 67.03 2 0 1000.00 -999 ? >THR^B 100 5.37 62.31 65.54 4.28 61.42 63.86 4.83 61.87 64.70 2 0 1000.00 -999 ? >LEU^B 101 5.77 59.80 69.66 6.23 61.32 71.14 6.00 60.56 70.40 3 0 1000.00 -999 ? >LEU^B 102 9.04 56.30 66.33 10.12 57.07 64.62 9.58 56.68 65.48 3 0 1000.00 -999 ? >ASP^B 103 7.73 53.16 69.43 7.04 51.38 70.37 7.39 52.27 69.90 2 0 1000.00 -999 ? >GLY^B 104 5.82 56.06 72.89 6.26 56.47 72.38 6.04 56.26 72.63 1 0 1000.00 -999 ? >ALA^B 105 7.20 58.84 75.08 6.87 59.00 76.55 7.04 58.92 75.82 2 0 1000.00 -999 ? >ILE^B 106 11.15 60.44 73.17 10.85 60.83 71.80 11.00 60.64 72.48 3 0 1000.00 -999 ? >ARG^B 107 13.77 61.82 80.02 14.35 64.23 81.83 14.06 63.02 80.93 2 0 1000.00 -999 ? >ASP^B 108 14.53 65.37 72.89 13.34 67.07 73.37 13.94 66.22 73.13 2 0 1000.00 -999 ? >PHE^B 109 20.69 67.47 74.68 22.93 69.01 75.22 21.81 68.24 74.95 3 0 1000.00 -999 ? >ASN^B 110 16.40 71.25 72.77 14.94 70.10 71.74 15.67 70.68 72.26 2 0 1000.00 -999 ? >LEU^B 111 21.37 73.42 70.98 22.79 75.06 70.94 22.08 74.24 70.96 3 0 1000.00 -999 ? >ILE^B 112 17.04 77.24 71.14 15.58 77.28 71.07 16.31 77.26 71.11 3 0 1000.00 -999 ? >TYR^B 113 22.59 78.67 68.24 23.42 77.68 65.77 23.01 78.17 67.00 3 0 1000.00 -999 ? >ALA^B 114 20.71 83.09 67.75 20.69 84.39 68.54 20.70 83.74 68.15 2 0 1000.00 -999 ? >PRO^B 115 20.67 81.80 63.71 22.30 82.52 65.08 21.49 82.16 64.40 3 0 1000.00 -999 ? >ARG^B 116 20.44 87.57 62.49 18.82 85.28 61.25 19.63 86.43 61.87 2 0 1000.00 -999 ? >ARG^B 117 22.83 88.35 70.00 19.82 87.85 70.49 21.32 88.10 70.25 2 0 1000.00 -999 ? >HIS^B 118 25.87 82.99 70.59 25.70 84.07 72.38 25.78 83.53 71.49 3 0 1000.00 -999 ? >ARG^B 119 31.82 81.45 64.16 33.75 83.82 63.99 32.78 82.63 64.07 2 0 1000.00 -999 ? >ALA^B 120 27.83 76.90 67.26 26.32 76.81 67.41 27.08 76.85 67.34 2 0 1000.00 -999 ? >ARG^B 121 32.66 71.80 66.81 33.07 68.79 66.46 32.86 70.30 66.63 2 0 1000.00 -999 ? >LEU^B 122 25.85 70.42 68.57 24.23 69.15 69.32 25.04 69.79 68.94 3 0 1000.00 -999 ? >GLN^B 123 30.51 65.24 67.70 32.41 65.17 66.69 31.46 65.20 67.19 2 0 1000.00 -999 ? >TRP^B 124 24.36 63.88 69.78 23.59 63.40 73.59 23.98 63.64 71.68 3 0 1000.00 -999 ? >LEU^B 125 31.97 62.61 72.04 33.11 64.13 70.98 32.54 63.37 71.51 3 0 1000.00 -999 ? >ARG^B 126 29.79 54.80 73.21 30.58 52.13 74.38 30.19 53.47 73.79 2 0 1000.00 -999 ? >VAL^B 127 33.98 58.61 75.98 34.32 60.16 77.45 34.15 59.38 76.71 3 0 1000.00 -999 ? >GLU^B 128 34.24 54.41 74.08 34.07 53.29 72.28 34.15 53.85 73.18 2 0 1000.00 -999 ? >GLY^B 129 38.50 55.49 78.47 38.02 56.14 78.20 38.26 55.82 78.34 1 0 1000.00 -999 ? >GLU^B 130 41.63 60.40 78.10 43.64 60.22 78.79 42.63 60.31 78.44 2 0 1000.00 -999 ? >LEU^B 131 37.87 61.30 73.89 36.08 62.50 73.77 36.98 61.90 73.83 3 0 1000.00 -999 ? >ASP^B 132 41.93 65.10 74.63 43.43 64.61 73.20 42.68 64.85 73.91 2 0 1000.00 -999 ? >TRP^B 133 37.85 70.34 71.68 35.64 68.50 74.35 36.75 69.42 73.01 3 0 1000.00 -999 ? >HIS^B 134 44.28 70.93 71.59 45.83 69.96 72.61 45.05 70.44 72.10 3 0 1000.00 -999 ? >GLY^B 135 39.40 74.27 70.79 39.93 74.54 71.39 39.67 74.41 71.09 1 0 1000.00 -999 ? >THR^B 136 39.08 78.03 71.04 40.46 79.39 70.05 39.77 78.71 70.54 2 0 1000.00 -999 ? >ALA^B 137 35.36 78.42 71.68 34.30 77.30 71.58 34.83 77.86 71.63 2 0 1000.00 -999 ? >SER^B 138 34.52 80.93 74.38 32.72 82.39 73.62 33.62 81.66 74.00 2 0 1000.00 -999 ? >THR^B 139 31.71 78.79 75.73 29.74 79.57 76.29 30.72 79.18 76.01 2 0 1000.00 -999 ? >LEU^B 140 32.89 74.21 76.57 33.24 72.05 76.12 33.07 73.13 76.35 3 0 1000.00 -999 ? >LEU^B 141 27.12 73.50 76.96 26.29 75.45 77.38 26.70 74.47 77.17 3 0 1000.00 -999 ? >LEU^B 142 30.86 69.13 78.49 31.06 67.14 77.65 30.96 68.13 78.07 3 0 1000.00 -999 ? >PHE^B 143 23.89 66.85 78.32 21.67 65.32 79.07 22.78 66.09 78.69 3 0 1000.00 -999 ? >ALA^B 144 26.74 63.94 80.19 27.48 63.65 81.54 27.11 63.79 80.87 2 0 1000.00 -999 ? >GLN^B 145 22.41 60.16 77.91 21.82 59.34 76.03 22.12 59.75 76.97 2 0 1000.00 -999 ? >GLN^B 146 25.05 56.78 80.10 25.19 56.98 77.98 25.12 56.88 79.04 2 0 1000.00 -999 ? >ASP^B 147 26.96 57.94 86.05 25.11 58.25 87.02 26.04 58.10 86.53 2 0 1000.00 -999 ? >GLY^B 148 31.01 59.03 85.44 30.78 59.45 84.96 30.90 59.24 85.20 1 0 1000.00 -999 ? >VAL^B 149 32.65 61.53 83.17 31.96 62.04 81.19 32.31 61.79 82.18 3 0 1000.00 -999 ? >ALA^B 150 35.63 63.40 84.55 36.82 62.72 85.27 36.22 63.06 84.91 2 0 1000.00 -999 ? >ILE^B 151 35.66 67.59 82.45 34.71 68.11 81.43 35.18 67.85 81.94 3 0 1000.00 -999 ? >SER^B 152 40.15 68.28 82.87 41.96 67.14 81.79 41.05 67.71 82.33 2 0 1000.00 -999 ? >LEU^B 153 40.17 72.72 81.54 39.94 74.52 80.34 40.05 73.62 80.94 3 0 1000.00 -999 ? >GLN^B 154 44.06 74.92 80.01 44.54 75.05 77.92 44.30 74.99 78.97 2 0 1000.00 -999 ? >GLY^B 155 45.65 69.21 82.27 45.15 69.74 82.56 45.40 69.47 82.41 1 0 1000.00 -999 ? >GLN^B 156 43.62 72.10 87.31 44.13 74.14 87.75 43.87 73.12 87.53 2 0 1000.00 -999 ? >PRO^B 157 42.65 66.65 87.58 41.68 68.42 86.65 42.17 67.53 87.11 3 0 1000.00 -999 ? >ARG^B 158 39.49 72.33 86.45 40.18 74.92 85.07 39.83 73.63 85.76 2 0 1000.00 -999 ? >GLY^B 159 35.37 67.76 88.44 35.69 67.48 87.75 35.53 67.62 88.09 1 0 1000.00 -999 ? >GLN^B 160 33.35 63.78 89.67 34.90 62.63 90.60 34.12 63.20 90.13 2 0 1000.00 -999 ? >LEU^B 161 29.34 65.13 84.47 30.34 66.68 83.37 29.84 65.90 83.92 3 0 1000.00 -999 ? >ALA^B 162 26.71 62.41 86.91 25.94 62.53 88.22 26.33 62.47 87.57 2 0 1000.00 -999 ? >ALA^B 163 23.98 61.52 84.40 23.06 60.29 84.53 23.52 60.90 84.47 2 0 1000.00 -999 ? >HIS^B 164 20.15 63.56 82.37 18.95 62.29 81.20 19.55 62.92 81.79 3 0 1000.00 -999 ? >ASP^B 165 25.84 66.76 85.63 25.06 66.10 87.50 25.45 66.43 86.56 2 0 1000.00 -999 ? >CYH^B 166 26.40 69.64 82.37 25.73 71.13 80.04 26.06 70.39 81.21 2 0 1000.00 -999 ? >LEU^B 167 31.02 70.99 82.10 32.90 71.99 81.99 31.96 71.49 82.04 3 0 1000.00 -999 ? >CYH^B 168 29.25 75.18 81.64 27.68 77.44 81.29 28.46 76.31 81.46 2 0 1000.00 -999 ? >ALA^B 169 32.46 77.09 80.89 33.66 76.29 80.46 33.06 76.69 80.67 2 0 1000.00 -999 ? >GLU^B 170 29.46 80.67 79.71 27.77 81.64 80.57 28.61 81.16 80.14 2 0 1000.00 -999 ? >GLY^B 171 34.32 83.50 78.60 34.52 82.72 78.57 34.42 83.11 78.59 1 0 1000.00 -999 ? >LEU^B 172 36.98 79.73 77.27 36.48 78.00 78.46 36.73 78.86 77.87 3 0 1000.00 -999 ? >GLN^B 173 39.57 85.03 77.10 38.15 85.65 75.66 38.86 85.34 76.38 2 0 1000.00 -999 ? >GLY^B 174 42.83 81.16 73.81 42.08 80.81 73.89 42.45 80.98 73.85 1 0 1000.00 -999 ? >LEU^B 175 44.48 76.99 71.98 44.42 75.27 70.63 44.45 76.13 71.31 3 0 1000.00 -999 ? >GLN^B 176 39.86 76.65 76.06 41.02 77.78 77.46 40.44 77.22 76.76 2 0 1000.00 -999 ? >HIS^B 177 44.62 69.64 75.83 45.20 67.66 75.42 44.91 68.65 75.63 3 0 1000.00 -999 ? >TRP^B 178 38.05 72.21 75.64 36.67 73.09 79.22 37.36 72.65 77.43 3 0 1000.00 -999 ? >ARG^B 179 44.06 65.29 78.81 47.05 65.19 78.14 45.55 65.24 78.47 2 0 1000.00 -999 ? >LEU^B 180 36.04 63.61 78.36 34.83 65.35 77.95 35.43 64.48 78.15 3 0 1000.00 -999 ? >THR^B 181 37.76 60.35 81.02 39.43 60.95 82.21 38.59 60.65 81.61 2 0 1000.00 -999 ? >ALA^B 182 35.36 57.61 82.08 34.12 57.64 81.18 34.74 57.63 81.63 2 0 1000.00 -999 ? >HIS^B 183 36.81 54.73 86.10 37.94 55.90 87.42 37.37 55.32 86.76 3 0 1000.00 -999 ? >GLU^B 184 32.16 51.14 83.51 32.02 49.31 82.48 32.09 50.23 83.00 2 0 1000.00 -999 ? >PRO^B 185 32.75 52.18 77.50 32.22 53.78 78.98 32.48 52.98 78.24 3 0 1000.00 -999 ? >ALA^B 186 29.64 57.21 78.65 29.90 58.00 79.92 29.77 57.60 79.29 2 0 1000.00 -999 ? >TRP^B 187 26.26 56.57 74.49 27.71 57.64 70.98 26.98 57.11 72.74 3 0 1000.00 -999 ? >VAL^B 188 28.38 63.13 76.23 30.48 63.18 76.86 29.43 63.16 76.54 3 0 1000.00 -999 ? >CYH^B 189 27.24 65.93 73.94 25.44 67.12 72.18 26.34 66.53 73.06 2 0 1000.00 -999 ? >ALA^B 190 29.81 68.71 73.40 31.24 68.39 72.96 30.53 68.55 73.18 2 0 1000.00 -999 ? >VAL^B 191 28.18 72.05 72.52 26.03 72.42 72.74 27.10 72.23 72.63 3 0 1000.00 -999 ? >GLU^B 192 32.63 73.39 71.86 34.08 72.23 70.79 33.35 72.81 71.32 2 0 1000.00 -999 ? >LEU^B 193 28.20 78.82 72.01 26.23 77.90 72.03 27.22 78.36 72.02 3 0 1000.00 -999 ? >ASP^B 194 32.72 81.20 69.46 32.27 80.44 67.55 32.49 80.82 68.51 2 0 1000.00 -999 ? >SER^B 195 30.35 85.21 70.19 30.09 85.63 72.56 30.22 85.42 71.38 2 0 1000.00 -999 ? >LEU^B 196 30.26 85.80 65.37 28.22 86.40 65.01 29.24 86.10 65.19 3 0 1000.00 -999 ? >GLY^B 197 32.91 89.48 66.17 33.46 88.86 66.04 33.18 89.17 66.10 1 0 1000.00 -999 ? >SER^C 2 12.09 76.56 9.59 11.06 74.71 10.76 11.57 75.63 10.17 2 0 1000.00 -999 ? >GLU^C 3 16.17 75.89 6.79 17.77 77.10 6.09 16.97 76.49 6.44 2 0 1000.00 -999 ? >LEU^C 4 15.37 70.08 9.90 15.82 68.60 11.41 15.59 69.34 10.66 3 0 1000.00 -999 ? >ARG^C 5 21.23 73.19 7.48 23.90 73.92 6.15 22.56 73.55 6.82 2 0 1000.00 -999 ? >ILE^C 6 21.68 65.37 9.61 21.25 64.05 10.25 21.47 64.71 9.93 3 0 1000.00 -999 ? >LEU^C 7 26.12 69.04 11.07 25.49 71.09 10.82 25.80 70.06 10.95 3 0 1000.00 -999 ? >ARG^C 8 26.36 63.04 8.68 23.82 61.39 9.19 25.09 62.21 8.94 2 0 1000.00 -999 ? >ALA^C 9 31.55 65.08 11.65 31.90 64.06 12.73 31.72 64.57 12.19 2 0 1000.00 -999 ? >VAL^C 10 33.47 64.25 8.52 33.24 63.13 6.69 33.36 63.69 7.60 3 0 1000.00 -999 ? >ASP^C 11 31.31 68.06 6.62 30.81 66.60 5.16 31.06 67.33 5.89 2 0 1000.00 -999 ? >TYR^C 12 32.48 68.80 12.42 30.09 67.81 13.52 31.28 68.30 12.97 3 0 1000.00 -999 ? >PRO^C 13 34.90 73.98 10.76 35.80 72.07 10.04 35.35 73.02 10.40 3 0 1000.00 -999 ? >ARG^C 14 41.81 69.52 13.38 43.30 69.81 10.66 42.55 69.66 12.02 2 0 1000.00 -999 ? >MET?C 15 41.27 75.41 13.55 41.51 78.79 12.48 41.39 77.10 13.01 2 0 1000.00 -999 ? >PRO^C 16 45.31 74.22 13.18 44.06 75.00 14.88 44.68 74.61 14.03 3 0 1000.00 -999 ? >TRP^C 17 42.39 76.18 19.50 42.33 74.66 23.15 42.36 75.42 21.33 3 0 1000.00 -999 ? >LYS^C 18 47.53 80.02 17.74 44.42 85.28 19.26 45.98 82.65 18.50 2 0 1000.00 -999 ? >ASN^C 19 48.53 79.17 22.31 46.53 78.51 22.26 47.53 78.84 22.28 2 0 1000.00 -999 ? >GLY^C 20 49.51 75.33 19.77 49.10 75.53 20.39 49.31 75.43 20.08 1 0 1000.00 -999 ? >ALA^C 21 47.84 73.83 22.84 47.55 74.61 24.13 47.70 74.22 23.49 2 0 1000.00 -999 ? >GLY^C 22 44.90 72.39 20.93 45.17 73.03 20.49 45.03 72.71 20.71 1 0 1000.00 -999 ? >SER^C 23 42.45 72.75 18.08 42.73 70.47 17.24 42.59 71.61 17.66 2 0 1000.00 -999 ? >THR^C 24 38.76 73.45 17.61 37.86 75.04 18.74 38.31 74.25 18.17 2 0 1000.00 -999 ? >GLU^C 25 37.62 69.58 14.89 37.46 67.62 14.13 37.54 68.60 14.51 2 0 1000.00 -999 ? >GLU^C 26 32.04 76.15 14.30 32.13 78.09 13.48 32.08 77.12 13.89 2 0 1000.00 -999 ? >ILE^C 27 29.39 71.34 15.68 28.98 70.20 16.42 29.18 70.77 16.05 3 0 1000.00 -999 ? >ALA^C 28 27.78 75.06 13.86 26.37 74.46 13.93 27.08 74.76 13.90 2 0 1000.00 -999 ? >ARG^C 29 29.90 80.88 12.72 32.57 81.78 13.99 31.24 81.33 13.35 2 0 1000.00 -999 ? >ASP^C 30 23.38 81.85 14.84 24.39 83.45 15.71 23.88 82.65 15.28 2 0 1000.00 -999 ? >GLY^C 31 26.44 83.52 11.94 26.83 83.39 12.63 26.63 83.45 12.29 1 0 1000.00 -999 ? >GLY^C 32 29.55 85.69 11.73 29.53 84.99 11.35 29.54 85.34 11.54 1 0 1000.00 -999 ? >ASP^C 33 33.80 85.76 9.86 35.11 87.33 10.46 34.46 86.55 10.16 2 0 1000.00 -999 ? >GLY^C 34 35.95 84.13 13.50 35.16 84.00 13.63 35.56 84.06 13.56 1 0 1000.00 -999 ? >LEU^C 35 36.91 83.90 18.14 37.95 82.44 16.91 37.43 83.17 17.53 3 0 1000.00 -999 ? >ASP^C 36 33.66 88.05 17.85 35.19 88.72 16.54 34.43 88.38 17.20 2 0 1000.00 -999 ? >GLY^C 37 29.84 88.07 15.70 29.77 87.42 16.18 29.80 87.75 15.94 1 0 1000.00 -999 ? >PHE^C 38 29.41 83.21 17.40 31.28 82.67 19.45 30.35 82.94 18.42 3 0 1000.00 -999 ? >GLY^C 39 24.73 84.58 18.52 25.38 83.97 18.40 25.05 84.28 18.46 1 0 1000.00 -999 ? >TRP^C 40 22.58 80.41 18.37 23.69 77.38 16.13 23.14 78.90 17.25 3 0 1000.00 -999 ? >ARG^C 41 32.22 79.21 17.46 34.89 78.68 18.82 33.56 78.95 18.14 2 0 1000.00 -999 ? >LEU^C 42 27.72 73.86 18.74 26.83 72.48 20.15 27.28 73.17 19.44 3 0 1000.00 -999 ? >SER^C 43 32.21 73.02 18.78 33.54 74.56 20.07 32.88 73.79 19.43 2 0 1000.00 -999 ? >ILE^C 44 34.40 68.77 19.01 34.15 67.45 18.77 34.27 68.11 18.89 3 0 1000.00 -999 ? >ALA^C 45 37.96 70.72 20.84 38.12 71.93 21.77 38.04 71.33 21.30 2 0 1000.00 -999 ? >ASP^C 46 41.94 68.17 20.08 41.04 66.46 19.27 41.49 67.31 19.68 2 0 1000.00 -999 ? >VAL^C 47 43.02 69.97 24.31 42.00 71.14 25.84 42.51 70.55 25.07 3 0 1000.00 -999 ? >GLY^C 48 46.52 68.59 24.18 46.34 69.18 24.69 46.43 68.88 24.44 1 0 1000.00 -999 ? >GLU^C 49 50.15 70.60 25.39 51.21 68.90 26.08 50.68 69.75 25.74 2 0 1000.00 -999 ? >SER^C 50 47.19 72.60 30.08 47.60 70.96 31.82 47.40 71.78 30.95 2 0 1000.00 -999 ? >GLY^C 51 47.13 76.36 29.63 46.35 76.10 29.85 46.74 76.23 29.74 1 0 1000.00 -999 ? >GLY^C 52 44.87 79.39 29.49 44.99 78.89 28.87 44.93 79.14 29.18 1 0 1000.00 -999 ? >PHE^C 53 40.22 77.65 28.05 39.91 74.87 28.18 40.06 76.26 28.11 3 0 1000.00 -999 ? >SER^C 54 41.22 82.68 25.17 42.36 82.06 23.12 41.79 82.37 24.15 2 0 1000.00 -999 ? >GLY^C 55 38.32 84.84 26.26 38.49 84.70 25.45 38.40 84.77 25.85 1 0 1000.00 -999 ? >PHE^C 56 34.86 83.09 23.29 36.12 81.27 21.58 35.49 82.18 22.44 3 0 1000.00 -999 ? >ALA^C 57 33.99 88.70 25.85 34.72 90.01 25.52 34.35 89.35 25.68 2 0 1000.00 -999 ? >GLY^C 58 30.29 89.05 26.47 30.63 88.32 26.41 30.46 88.68 26.44 1 0 1000.00 -999 ? >TYR^C 59 30.04 85.15 23.41 29.57 86.07 20.80 29.80 85.61 22.11 3 0 1000.00 -999 ? >GLN^C 60 26.60 81.26 29.58 27.43 81.57 31.52 27.02 81.42 30.55 2 0 1000.00 -999 ? >ARG^C 61 33.78 80.25 26.94 35.90 78.29 25.87 34.84 79.27 26.41 2 0 1000.00 -999 ? >ILE^C 62 27.73 75.21 28.80 26.42 74.95 29.43 27.08 75.08 29.11 3 0 1000.00 -999 ? >ILE^C 63 33.36 73.52 28.71 34.76 73.37 29.09 34.06 73.44 28.90 3 0 1000.00 -999 ? >SER^C 64 31.80 69.21 28.82 29.38 69.37 28.58 30.59 69.29 28.70 2 0 1000.00 -999 ? >VAL^C 65 34.61 66.68 28.59 36.25 66.06 29.83 35.43 66.37 29.21 3 0 1000.00 -999 ? >LEU^C 66 33.88 64.24 24.48 32.37 65.27 23.37 33.12 64.76 23.93 3 0 1000.00 -999 ? >GLU^C 67 36.71 59.93 24.38 37.85 58.70 23.09 37.28 59.32 23.73 2 0 1000.00 -999 ? >GLY^C 68 40.08 61.55 28.39 39.34 61.35 28.75 39.71 61.45 28.57 1 0 1000.00 -999 ? >GLY^C 69 40.64 61.55 32.13 40.32 62.15 31.70 40.48 61.85 31.92 1 0 1000.00 -999 ? >GLY^C 70 39.25 65.01 32.67 40.07 65.04 32.50 39.66 65.03 32.58 1 0 1000.00 -999 ? >MET?C 71 40.34 68.52 33.63 38.31 70.88 30.55 39.33 69.70 32.09 2 0 1000.00 -999 ? >ARG^C 72 41.10 70.68 40.01 44.10 70.08 39.99 42.60 70.38 40.00 2 0 1000.00 -999 ? >LEU^C 73 37.97 74.98 34.52 37.93 74.48 32.42 37.95 74.73 33.47 3 0 1000.00 -999 ? >ARG^C 74 43.71 79.14 38.95 46.01 79.68 37.00 44.86 79.41 37.98 2 0 1000.00 -999 ? >VAL^C 75 38.05 80.49 36.73 36.11 80.00 35.89 37.08 80.24 36.31 3 0 1000.00 -999 ? >ASP^C 76 37.78 84.72 38.28 37.02 85.52 36.48 37.40 85.12 37.38 2 0 1000.00 -999 ? >GLY^C 77 41.26 82.11 40.61 40.62 81.74 40.37 40.94 81.93 40.49 1 0 1000.00 -999 ? >ALA^C 78 38.70 79.49 41.68 37.22 79.85 41.83 37.96 79.67 41.75 2 0 1000.00 -999 ? >GLU^C 79 42.06 75.28 40.51 43.80 75.65 41.63 42.93 75.46 41.07 2 0 1000.00 -999 ? >SER^C 80 36.68 73.72 39.83 37.05 72.63 37.72 36.86 73.17 38.78 2 0 1000.00 -999 ? >ALA^C 81 36.15 70.16 40.97 34.82 69.58 41.44 35.48 69.87 41.21 2 0 1000.00 -999 ? >PRO^C 82 38.28 66.39 40.68 37.30 67.80 39.25 37.79 67.10 39.97 3 0 1000.00 -999 ? >LEU^C 83 35.48 68.84 34.60 34.56 70.73 35.13 35.02 69.78 34.86 3 0 1000.00 -999 ? >ARG^C 84 35.78 61.94 36.88 35.96 61.82 39.94 35.87 61.88 38.41 2 0 1000.00 -999 ? >ALA^C 85 33.08 62.96 30.78 33.15 61.56 30.18 33.11 62.26 30.48 2 0 1000.00 -999 ? >ARG^C 86 28.25 61.53 28.31 30.23 59.21 28.83 29.24 60.37 28.57 2 0 1000.00 -999 ? >GLN^C 87 30.63 64.96 34.98 31.85 64.43 36.68 31.24 64.70 35.83 2 0 1000.00 -999 ? >ALA^C 88 28.81 70.17 31.97 27.46 70.53 31.39 28.13 70.35 31.68 2 0 1000.00 -999 ? >PHE^C 89 32.47 73.93 34.75 33.77 75.82 36.37 33.12 74.88 35.56 3 0 1000.00 -999 ? >ALA^C 90 29.37 76.85 32.94 27.91 77.27 33.13 28.64 77.06 33.03 2 0 1000.00 -999 ? >PHE^C 91 33.66 78.97 31.99 34.94 78.08 29.66 34.30 78.52 30.83 3 0 1000.00 -999 ? >SER^C 92 31.80 83.42 31.67 31.76 85.81 31.68 31.78 84.61 31.67 2 0 1000.00 -999 ? >GLY^C 93 33.68 84.22 28.48 33.56 84.74 29.16 33.62 84.48 28.82 1 0 1000.00 -999 ? >ASP^C 94 33.71 88.43 30.87 32.56 89.44 29.39 33.14 88.94 30.13 2 0 1000.00 -999 ? >SER^C 95 36.56 85.34 32.95 34.80 84.49 34.44 35.68 84.92 33.69 2 0 1000.00 -999 ? >GLU^C 96 42.56 85.53 33.55 44.00 84.02 33.96 43.28 84.78 33.76 2 0 1000.00 -999 ? >VAL^C 97 40.41 80.69 32.74 38.54 79.63 32.21 39.48 80.16 32.47 3 0 1000.00 -999 ? >HIS^C 98 45.55 77.58 33.76 47.11 76.21 33.45 46.33 76.90 33.60 3 0 1000.00 -999 ? >CYH^C 99 42.81 74.52 32.10 42.05 72.39 30.51 42.43 73.46 31.30 2 0 1000.00 -999 ? >THR^C 100 44.67 71.75 33.89 45.65 71.89 35.79 45.16 71.82 34.84 2 0 1000.00 -999 ? >LEU^C 101 45.42 67.97 31.01 44.82 68.54 29.01 45.12 68.25 30.01 3 0 1000.00 -999 ? >LEU^C 102 43.02 65.24 35.59 41.98 66.52 36.98 42.50 65.88 36.29 3 0 1000.00 -999 ? >ASP^C 103 44.99 61.54 33.42 46.19 59.78 33.43 45.59 60.66 33.43 2 0 1000.00 -999 ? >GLY^C 104 46.55 63.44 29.22 45.99 63.89 29.55 46.27 63.66 29.38 1 0 1000.00 -999 ? >ALA^C 105 44.91 65.08 26.23 45.40 64.91 24.79 45.15 65.00 25.51 2 0 1000.00 -999 ? >ILE^C 106 40.49 65.89 27.36 40.49 66.69 28.53 40.49 66.29 27.94 3 0 1000.00 -999 ? >ARG^C 107 38.46 63.69 20.65 37.83 66.14 18.92 38.14 64.91 19.79 2 0 1000.00 -999 ? >ASP^C 108 36.13 69.63 25.72 36.83 71.24 24.57 36.48 70.44 25.15 2 0 1000.00 -999 ? >PHE^C 109 29.79 69.06 23.27 27.30 69.77 22.12 28.54 69.41 22.69 3 0 1000.00 -999 ? >ASN^C 110 32.78 74.33 23.59 34.41 73.95 24.91 33.60 74.14 24.25 2 0 1000.00 -999 ? >LEU^C 111 27.29 75.52 24.43 25.57 76.78 24.09 26.43 76.15 24.26 3 0 1000.00 -999 ? >ILE^C 112 30.45 80.04 22.86 31.85 80.47 22.92 31.15 80.25 22.89 3 0 1000.00 -999 ? >TYR^C 113 24.49 81.02 24.99 23.74 80.73 27.67 24.11 80.87 26.33 3 0 1000.00 -999 ? >ALA^C 114 25.18 85.58 23.70 24.99 86.52 22.51 25.09 86.05 23.11 2 0 1000.00 -999 ? >PRO^C 115 25.09 86.50 27.90 23.63 85.71 26.42 24.36 86.11 27.16 3 0 1000.00 -999 ? >ARG^C 116 24.06 91.16 27.19 25.01 94.02 26.56 24.53 92.59 26.87 2 0 1000.00 -999 ? >ARG^C 117 22.76 89.38 20.55 24.24 91.61 22.09 23.50 90.50 21.32 2 0 1000.00 -999 ? >HIS^C 118 20.73 83.30 21.38 20.87 83.80 19.35 20.80 83.55 20.36 3 0 1000.00 -999 ? >ARG^C 119 14.05 82.42 26.65 11.39 83.85 27.02 12.72 83.14 26.83 2 0 1000.00 -999 ? >ALA^C 120 19.71 78.33 26.53 21.21 78.62 26.51 20.46 78.48 26.52 2 0 1000.00 -999 ? >ARG^C 121 16.25 72.59 28.61 16.45 69.88 29.99 16.35 71.23 29.30 2 0 1000.00 -999 ? >LEU^C 122 23.40 72.56 27.77 25.30 71.56 27.53 24.35 72.06 27.65 3 0 1000.00 -999 ? >GLN^C 123 19.89 66.93 30.21 17.98 66.67 31.12 18.93 66.80 30.66 2 0 1000.00 -999 ? >TRP^C 124 26.46 66.66 28.99 27.76 65.07 25.62 27.11 65.87 27.31 3 0 1000.00 -999 ? >LEU^C 125 19.65 62.71 27.03 18.11 64.20 27.41 18.88 63.46 27.22 3 0 1000.00 -999 ? >ARG^C 126 23.55 56.10 29.71 24.59 53.35 28.90 24.07 54.72 29.31 2 0 1000.00 -999 ? >VAL^C 127 19.32 57.18 24.86 18.71 58.19 23.02 19.01 57.68 23.94 3 0 1000.00 -999 ? >GLU^C 128 18.57 53.87 28.03 19.76 53.41 29.74 19.16 53.64 28.89 2 0 1000.00 -999 ? >GLY^C 129 15.52 52.38 23.40 15.89 53.20 23.34 15.70 52.79 23.37 1 0 1000.00 -999 ? >GLU^C 130 11.68 54.72 21.32 9.58 54.60 20.95 10.63 54.66 21.13 2 0 1000.00 -999 ? >LEU^C 131 14.48 59.31 25.52 15.82 60.99 25.40 15.15 60.15 25.46 3 0 1000.00 -999 ? >ASP^C 132 9.77 61.48 23.31 8.25 61.13 24.77 9.01 61.31 24.04 2 0 1000.00 -999 ? >TRP^C 133 12.15 68.18 24.35 15.07 66.15 22.65 13.61 67.17 23.50 3 0 1000.00 -999 ? >HIS^C 134 5.78 67.24 23.88 4.70 65.50 23.40 5.24 66.37 23.64 3 0 1000.00 -999 ? >GLY^C 135 9.60 71.76 23.68 9.14 71.67 23.00 9.37 71.72 23.34 1 0 1000.00 -999 ? >THR^C 136 9.10 75.20 22.20 7.36 76.35 22.64 8.23 75.78 22.42 2 0 1000.00 -999 ? >ALA^C 137 12.75 76.21 21.60 13.96 75.39 22.00 13.35 75.80 21.80 2 0 1000.00 -999 ? >SER^C 138 13.31 77.86 18.23 14.29 80.07 18.66 13.80 78.96 18.44 2 0 1000.00 -999 ? >THR^C 139 16.69 76.22 17.78 18.43 77.36 17.12 17.56 76.79 17.45 2 0 1000.00 -999 ? >LEU^C 140 16.65 71.54 18.70 16.87 69.65 19.81 16.76 70.59 19.26 3 0 1000.00 -999 ? >LEU^C 141 22.42 72.06 18.66 23.06 73.95 17.79 22.74 73.00 18.22 3 0 1000.00 -999 ? >LEU^C 142 20.19 66.58 18.77 20.27 65.01 20.27 20.23 65.80 19.52 3 0 1000.00 -999 ? >PHE^C 143 27.44 66.42 19.95 30.07 65.43 19.80 28.76 65.93 19.88 3 0 1000.00 -999 ? >ALA^C 144 25.58 62.45 19.29 25.13 61.53 18.15 25.35 61.99 18.72 2 0 1000.00 -999 ? >GLN^C 145 30.35 60.91 22.97 30.87 60.91 25.03 30.61 60.91 24.00 2 0 1000.00 -999 ? >GLN^C 146 29.06 56.70 22.05 28.51 56.68 24.10 28.79 56.69 23.08 2 0 1000.00 -999 ? >ASP^C 147 27.30 55.01 16.03 29.38 55.29 15.88 28.34 55.15 15.96 2 0 1000.00 -999 ? >GLY^C 148 23.06 54.86 16.45 23.09 55.57 16.56 23.07 55.21 16.50 1 0 1000.00 -999 ? >VAL^C 149 20.67 57.69 17.31 20.73 59.06 19.02 20.70 58.37 18.17 3 0 1000.00 -999 ? >ALA^C 150 17.59 58.22 15.12 16.76 57.03 14.66 17.17 57.63 14.89 2 0 1000.00 -999 ? >ILE^C 151 16.31 62.69 15.51 16.46 64.10 15.38 16.38 63.40 15.44 3 0 1000.00 -999 ? >SER^C 152 11.82 62.18 14.65 10.72 60.58 16.15 11.27 61.38 15.40 2 0 1000.00 -999 ? >LEU^C 153 10.81 66.74 14.27 10.59 68.84 14.73 10.70 67.79 14.50 3 0 1000.00 -999 ? >GLN^C 154 6.26 68.36 14.55 5.18 68.79 16.31 5.72 68.57 15.43 2 0 1000.00 -999 ? >GLY^C 155 6.08 62.11 14.19 6.60 62.55 13.82 6.34 62.33 14.01 1 0 1000.00 -999 ? >GLN^C 156 6.68 63.66 9.60 6.57 65.27 8.21 6.63 64.47 8.91 2 0 1000.00 -999 ? >PRO^C 157 10.36 58.60 10.74 10.94 60.74 11.01 10.65 59.67 10.88 3 0 1000.00 -999 ? >ARG^C 158 12.07 65.11 10.02 12.13 67.97 8.94 12.10 66.54 9.48 2 0 1000.00 -999 ? >GLY^C 159 17.55 61.23 9.98 17.17 61.02 10.69 17.36 61.13 10.33 1 0 1000.00 -999 ? >GLN^C 160 20.66 56.83 12.58 19.92 54.84 12.28 20.29 55.84 12.43 2 0 1000.00 -999 ? >LEU^C 161 23.23 61.24 14.90 22.31 63.19 14.90 22.77 62.22 14.90 3 0 1000.00 -999 ? >ALA^C 162 26.71 58.61 13.65 27.57 58.45 12.38 27.14 58.53 13.01 2 0 1000.00 -999 ? >ALA^C 163 29.29 59.40 16.38 30.47 58.51 16.79 29.88 58.95 16.58 2 0 1000.00 -999 ? >HIS^C 164 32.26 62.91 17.64 33.55 62.57 19.26 32.91 62.74 18.45 3 0 1000.00 -999 ? >ASP^C 165 26.52 63.08 13.19 27.68 62.02 11.75 27.10 62.55 12.47 2 0 1000.00 -999 ? >CYH^C 166 24.88 66.74 15.04 24.86 68.99 16.76 24.87 67.87 15.90 2 0 1000.00 -999 ? >LEU^C 167 20.06 66.95 14.61 17.96 67.47 14.49 19.01 67.21 14.55 3 0 1000.00 -999 ? >CYH^C 168 20.76 71.41 13.76 21.77 74.01 13.36 21.26 72.71 13.56 2 0 1000.00 -999 ? >ALA^C 169 17.20 72.74 13.60 16.14 71.82 14.22 16.67 72.28 13.91 2 0 1000.00 -999 ? >GLU^C 170 18.95 77.19 13.24 20.19 78.57 12.22 19.57 77.88 12.73 2 0 1000.00 -999 ? >GLY^C 171 13.39 78.63 13.08 13.40 77.94 13.47 13.39 78.28 13.27 1 0 1000.00 -999 ? >LEU^C 172 11.61 75.10 15.87 12.50 73.20 15.39 12.05 74.15 15.63 3 0 1000.00 -999 ? >GLN^C 173 7.92 78.82 13.52 7.07 79.28 11.62 7.49 79.05 12.57 2 0 1000.00 -999 ? >GLY^C 174 5.43 76.35 18.52 6.18 76.08 18.44 5.81 76.21 18.48 1 0 1000.00 -999 ? >LEU^C 175 4.19 72.62 21.36 4.42 71.41 23.15 4.30 72.01 22.26 3 0 1000.00 -999 ? >GLN^C 176 9.22 72.12 17.94 8.02 72.35 16.20 8.62 72.24 17.07 2 0 1000.00 -999 ? >HIS^C 177 6.33 64.54 20.33 6.22 62.67 21.27 6.28 63.60 20.80 3 0 1000.00 -999 ? >TRP^C 178 11.94 68.62 19.97 13.80 68.67 16.51 12.87 68.64 18.24 3 0 1000.00 -999 ? >ARG^C 179 9.50 58.42 19.20 7.37 58.45 21.46 8.44 58.44 20.33 2 0 1000.00 -999 ? >LEU^C 180 16.33 60.39 20.73 17.12 62.38 20.66 16.72 61.38 20.69 3 0 1000.00 -999 ? >THR^C 181 15.63 56.16 19.44 14.69 54.95 17.94 15.16 55.55 18.69 2 0 1000.00 -999 ? >ALA^C 182 18.75 53.97 19.74 19.80 54.81 20.46 19.27 54.39 20.10 2 0 1000.00 -999 ? >HIS^C 183 18.50 49.03 18.17 16.82 48.92 16.91 17.66 48.98 17.54 3 0 1000.00 -999 ? >GLU^C 184 24.80 48.63 21.87 26.35 49.25 23.15 25.57 48.94 22.51 2 0 1000.00 -999 ? >PRO^C 185 22.83 51.26 26.17 22.93 52.30 24.21 22.88 51.78 25.19 3 0 1000.00 -999 ? >ALA^C 186 24.24 56.24 23.17 23.88 56.36 21.70 24.06 56.30 22.43 2 0 1000.00 -999 ? >TRP^C 187 26.84 58.11 27.34 24.70 59.82 30.17 25.77 58.96 28.76 3 0 1000.00 -999 ? >VAL^C 188 23.59 62.68 23.17 21.64 61.94 22.48 22.61 62.31 22.83 3 0 1000.00 -999 ? >CYH^C 189 23.71 66.30 24.33 24.98 68.45 25.56 24.35 67.38 24.94 2 0 1000.00 -999 ? >ALA^C 190 20.59 68.33 23.64 19.23 67.82 24.08 19.91 68.08 23.86 2 0 1000.00 -999 ? >VAL^C 191 21.19 72.04 23.30 23.21 72.76 23.05 22.20 72.40 23.18 3 0 1000.00 -999 ? >GLU^C 192 16.66 72.34 23.35 15.23 71.37 24.54 15.94 71.85 23.95 2 0 1000.00 -999 ? >LEU^C 193 19.62 78.40 21.33 21.76 78.08 21.60 20.69 78.24 21.46 3 0 1000.00 -999 ? >ASP^C 194 14.43 80.41 23.11 12.79 79.23 22.51 13.61 79.82 22.81 2 0 1000.00 -999 ? >SER^C 195 15.75 83.73 20.19 15.71 82.62 18.03 15.73 83.18 19.11 2 0 1000.00 -999 ? >GLU^D 3 11.13 83.50 46.71 11.82 84.04 48.64 11.47 83.77 47.67 2 0 1000.00 -999 ? >LEU^D 4 13.05 77.55 45.54 12.68 75.47 45.20 12.86 76.51 45.37 3 0 1000.00 -999 ? >ARG^D 5 5.66 76.64 48.88 3.09 76.83 50.54 4.38 76.73 49.71 2 0 1000.00 -999 ? >ILE^D 6 9.43 70.97 48.04 10.44 69.90 47.87 9.94 70.44 47.95 3 0 1000.00 -999 ? >LEU^D 7 3.96 71.62 45.85 3.73 73.70 45.25 3.85 72.66 45.55 3 0 1000.00 -999 ? >ARG^D 8 6.28 67.83 50.58 9.35 67.75 50.54 7.81 67.79 50.56 2 0 1000.00 -999 ? >ALA^D 9 1.16 65.73 47.46 1.53 64.39 46.88 1.35 65.06 47.17 2 0 1000.00 -999 ? >VAL^D 10 -0.49 65.14 50.84 0.07 64.11 52.68 -0.21 64.63 51.76 3 0 1000.00 -999 ? >ASP^D 11 -0.61 69.98 50.93 0.27 69.78 52.84 -0.17 69.88 51.89 2 0 1000.00 -999 ? >TYR^D 12 -1.27 67.97 45.43 1.41 67.88 44.59 0.07 67.93 45.01 3 0 1000.00 -999 ? >PRO^D 13 -6.01 71.69 45.70 -5.92 69.89 46.98 -5.97 70.79 46.34 3 0 1000.00 -999 ? >ARG^D 14 -10.12 63.82 45.63 -12.80 62.57 44.67 -11.46 63.20 45.15 2 0 1000.00 -999 ? >MET?D 15 -12.03 68.60 43.20 -14.56 71.08 42.99 -13.30 69.84 43.10 2 0 1000.00 -999 ? >PRO^D 16 -14.99 65.63 44.26 -14.14 66.45 42.36 -14.56 66.04 43.31 3 0 1000.00 -999 ? >TRP^D 17 -12.81 66.26 37.45 -11.82 63.60 34.71 -12.32 64.93 36.08 3 0 1000.00 -999 ? >LYS^D 18 -19.35 67.38 38.13 -18.77 72.51 39.53 -19.06 69.94 38.83 2 0 1000.00 -999 ? >ASN^D 19 -19.40 64.24 34.51 -17.29 64.15 34.46 -18.35 64.19 34.48 2 0 1000.00 -999 ? >GLY^D 20 -18.48 61.91 38.48 -18.18 62.00 37.77 -18.33 61.95 38.13 1 0 1000.00 -999 ? >ALA^D 21 -16.10 60.32 36.01 -16.18 60.54 34.48 -16.14 60.43 35.24 2 0 1000.00 -999 ? >GLY^D 22 -13.10 61.66 37.90 -13.68 62.14 38.13 -13.39 61.90 38.02 1 0 1000.00 -999 ? >SER^D 23 -11.41 64.34 39.97 -10.40 62.89 41.62 -10.91 63.61 40.80 2 0 1000.00 -999 ? >THR^D 24 -8.59 66.79 39.73 -8.33 67.97 37.97 -8.46 67.38 38.85 2 0 1000.00 -999 ? >GLU^D 25 -5.86 65.61 43.65 -4.69 64.22 44.77 -5.28 64.91 44.21 2 0 1000.00 -999 ? >GLU^D 26 -4.11 73.60 40.71 -5.18 75.39 40.25 -4.64 74.49 40.48 2 0 1000.00 -999 ? >ILE^D 27 0.46 70.43 41.24 1.43 69.39 41.08 0.95 69.91 41.16 3 0 1000.00 -999 ? >ALA^D 28 0.08 74.78 41.08 1.62 74.82 41.10 0.85 74.80 41.09 2 0 1000.00 -999 ? >ARG^D 29 -4.13 79.37 39.70 -6.85 78.44 38.65 -5.49 78.91 39.17 2 0 1000.00 -999 ? >ASP^D 30 1.42 81.51 36.62 -0.21 82.05 35.35 0.61 81.78 35.98 2 0 1000.00 -999 ? >GLY^D 31 -2.00 82.95 39.15 -2.22 82.50 38.45 -2.11 82.72 38.80 1 0 1000.00 -999 ? >GLY^D 32 -5.44 84.08 38.06 -5.33 83.60 38.72 -5.38 83.84 38.39 1 0 1000.00 -999 ? >ASP^D 33 -9.85 83.80 39.66 -8.92 85.08 41.05 -9.38 84.44 40.36 2 0 1000.00 -999 ? >GLY^D 34 -10.94 79.82 37.94 -10.16 79.91 37.80 -10.55 79.86 37.87 1 0 1000.00 -999 ? >LEU^D 35 -10.98 76.09 34.98 -10.72 74.43 36.34 -10.85 75.26 35.66 3 0 1000.00 -999 ? >ASP^D 36 -11.37 80.44 31.76 -12.57 81.73 32.96 -11.97 81.08 32.36 2 0 1000.00 -999 ? >GLY^D 37 -7.96 82.72 34.19 -7.61 82.05 34.18 -7.78 82.39 34.19 1 0 1000.00 -999 ? >PHE^D 38 -4.77 78.61 34.59 -5.69 76.39 33.12 -5.23 77.50 33.85 3 0 1000.00 -999 ? >GLY^D 39 -1.43 81.33 32.49 -1.66 80.63 32.94 -1.55 80.98 32.72 1 0 1000.00 -999 ? >TRP^D 40 2.82 79.25 33.95 2.98 77.38 37.41 2.90 78.32 35.68 3 0 1000.00 -999 ? >ARG^D 41 -5.32 74.50 36.58 -6.78 71.79 36.68 -6.05 73.14 36.63 2 0 1000.00 -999 ? >LEU^D 42 1.22 71.75 37.24 2.68 70.27 36.59 1.95 71.01 36.92 3 0 1000.00 -999 ? >SER^D 43 -2.40 69.00 38.03 -4.14 69.16 36.32 -3.27 69.08 37.17 2 0 1000.00 -999 ? >ILE^D 44 -2.47 64.58 39.84 -1.70 63.75 40.58 -2.09 64.17 40.21 3 0 1000.00 -999 ? >ALA^D 45 -6.38 63.91 37.62 -7.01 64.42 36.33 -6.69 64.17 36.98 2 0 1000.00 -999 ? >ASP^D 46 -8.69 60.35 39.81 -7.18 60.14 41.24 -7.93 60.24 40.53 2 0 1000.00 -999 ? >VAL^D 47 -10.15 59.33 35.55 -9.69 59.98 33.54 -9.92 59.66 34.54 3 0 1000.00 -999 ? >GLY^D 48 -12.49 56.62 36.74 -12.62 56.92 36.02 -12.56 56.77 36.38 1 0 1000.00 -999 ? >GLU^D 49 -16.65 55.76 35.05 -18.70 56.16 35.19 -17.67 55.96 35.12 2 0 1000.00 -999 ? >SER^D 50 -14.24 56.72 29.87 -13.48 54.61 28.92 -13.86 55.67 29.40 2 0 1000.00 -999 ? >GLY^D 51 -15.89 59.96 28.79 -15.07 60.01 28.58 -15.48 59.99 28.69 1 0 1000.00 -999 ? >GLY^D 52 -15.35 63.31 27.14 -15.27 63.16 27.95 -15.31 63.24 27.55 1 0 1000.00 -999 ? >PHE^D 53 -10.58 64.65 28.76 -9.12 62.54 29.93 -9.85 63.60 29.34 3 0 1000.00 -999 ? >SER^D 54 -14.04 69.34 29.18 -15.30 69.11 31.24 -14.67 69.22 30.21 2 0 1000.00 -999 ? >GLY^D 55 -12.52 72.08 27.08 -12.63 72.19 27.85 -12.57 72.13 27.47 1 0 1000.00 -999 ? >PHE^D 56 -8.81 73.46 30.04 -9.15 72.48 32.66 -8.98 72.97 31.35 3 0 1000.00 -999 ? >ALA^D 57 -10.46 76.96 25.17 -11.73 77.81 25.04 -11.09 77.39 25.11 2 0 1000.00 -999 ? >GLY^D 58 -7.34 78.72 23.94 -7.27 78.03 24.32 -7.31 78.38 24.13 1 0 1000.00 -999 ? >TYR^D 59 -5.61 77.13 28.35 -6.24 79.06 30.31 -5.93 78.10 29.33 3 0 1000.00 -999 ? >GLN^D 60 0.00 73.19 24.19 -0.66 72.29 22.39 -0.33 72.74 23.29 2 0 1000.00 -999 ? >ARG^D 61 -6.21 70.19 27.79 -7.30 68.28 29.95 -6.76 69.24 28.87 2 0 1000.00 -999 ? >ILE^D 62 1.62 68.41 27.63 3.01 68.49 26.99 2.31 68.45 27.31 3 0 1000.00 -999 ? >ILE^D 63 -2.59 64.58 29.06 -3.66 63.84 29.00 -3.12 64.21 29.03 3 0 1000.00 -999 ? >SER^D 64 0.73 61.93 30.63 2.94 63.02 30.42 1.83 62.48 30.52 2 0 1000.00 -999 ? >VAL^D 65 -0.64 58.76 32.20 -1.68 56.93 31.64 -1.16 57.84 31.92 3 0 1000.00 -999 ? >LEU^D 66 0.62 59.03 36.85 1.52 60.90 37.24 1.07 59.96 37.04 3 0 1000.00 -999 ? >GLU^D 67 -0.18 55.73 39.41 -1.02 56.36 41.26 -0.60 56.04 40.33 2 0 1000.00 -999 ? >GLY^D 68 -3.12 52.46 35.47 -2.38 52.49 35.14 -2.75 52.48 35.31 1 0 1000.00 -999 ? >GLY^D 69 -3.44 50.49 32.28 -3.44 51.28 32.35 -3.44 50.89 32.32 1 0 1000.00 -999 ? >GLY^D 70 -3.60 53.56 30.09 -4.35 53.33 30.35 -3.97 53.44 30.22 1 0 1000.00 -999 ? >MET?D 71 -5.98 55.38 27.80 -5.61 59.50 29.13 -5.80 57.44 28.47 2 0 1000.00 -999 ? >ARG^D 72 -8.12 54.49 20.97 -10.65 52.91 21.77 -9.38 53.70 21.37 2 0 1000.00 -999 ? >LEU^D 73 -6.79 61.02 23.68 -6.65 61.79 25.70 -6.72 61.41 24.69 3 0 1000.00 -999 ? >ARG^D 74 -13.11 59.31 18.54 -15.66 59.64 20.21 -14.38 59.48 19.38 2 0 1000.00 -999 ? >VAL^D 75 -9.04 64.10 19.32 -7.21 64.96 20.13 -8.12 64.53 19.72 3 0 1000.00 -999 ? >ASP^D 76 -10.42 66.84 16.08 -10.35 68.60 17.26 -10.38 67.72 16.67 2 0 1000.00 -999 ? >GLY^D 77 -12.11 62.25 15.56 -11.42 62.37 15.82 -11.76 62.31 15.69 1 0 1000.00 -999 ? >ALA^D 78 -8.57 60.86 15.37 -7.40 61.69 14.92 -7.99 61.27 15.14 2 0 1000.00 -999 ? >GLU^D 79 -9.96 56.54 17.51 -11.02 56.69 19.34 -10.49 56.62 18.43 2 0 1000.00 -999 ? >SER^D 80 -4.43 58.15 19.37 -4.59 58.15 21.78 -4.51 58.15 20.58 2 0 1000.00 -999 ? >ALA^D 81 -2.13 55.21 19.83 -0.63 55.19 19.56 -1.38 55.20 19.70 2 0 1000.00 -999 ? >PRO^D 82 -1.60 51.63 22.19 -2.46 53.67 22.54 -2.03 52.65 22.36 3 0 1000.00 -999 ? >LEU^D 83 -1.73 57.32 26.05 -1.52 58.88 24.58 -1.63 58.10 25.32 3 0 1000.00 -999 ? >ARG^D 84 1.62 50.66 27.56 4.11 49.60 26.11 2.86 50.13 26.83 2 0 1000.00 -999 ? >ALA^D 85 2.71 55.50 31.74 3.27 54.62 32.86 2.99 55.06 32.30 2 0 1000.00 -999 ? >ARG^D 86 7.31 57.67 33.94 6.91 54.68 34.55 7.11 56.17 34.24 2 0 1000.00 -999 ? >GLN^D 87 4.20 56.46 26.85 3.57 54.86 25.58 3.88 55.66 26.22 2 0 1000.00 -999 ? >ALA^D 88 3.37 62.59 27.06 4.38 63.71 27.26 3.87 63.15 27.16 2 0 1000.00 -999 ? >PHE^D 89 -1.34 62.64 23.39 -3.10 62.78 21.22 -2.22 62.71 22.30 3 0 1000.00 -999 ? >ALA^D 90 -0.04 67.14 23.39 1.09 68.04 22.79 0.53 67.59 23.09 2 0 1000.00 -999 ? >PHE^D 91 -5.02 67.15 23.76 -6.03 66.88 26.38 -5.53 67.01 25.07 3 0 1000.00 -999 ? >SER^D 92 -5.36 71.59 21.93 -6.49 73.39 20.79 -5.93 72.49 21.36 2 0 1000.00 -999 ? >GLY^D 93 -7.85 72.65 24.58 -7.89 72.78 23.74 -7.87 72.72 24.16 1 0 1000.00 -999 ? >ASP^D 94 -9.56 74.76 20.54 -9.14 76.69 21.29 -9.35 75.73 20.91 2 0 1000.00 -999 ? >SER^D 95 -10.28 70.19 20.35 -8.21 69.64 19.13 -9.25 69.91 19.74 2 0 1000.00 -999 ? >GLU^D 96 -15.53 66.86 20.79 -16.92 65.96 19.47 -16.22 66.41 20.13 2 0 1000.00 -999 ? >VAL^D 97 -11.70 65.00 23.05 -9.65 65.37 23.74 -10.67 65.18 23.39 3 0 1000.00 -999 ? >HIS^D 98 -14.60 59.73 24.08 -15.32 58.04 25.10 -14.96 58.89 24.59 3 0 1000.00 -999 ? >CYH^D 99 -10.98 59.51 26.61 -9.54 58.91 28.94 -10.26 59.21 27.78 2 0 1000.00 -999 ? >THR^D 100 -11.35 55.73 26.46 -12.02 54.50 24.82 -11.69 55.12 25.64 2 0 1000.00 -999 ? >LEU^D 101 -10.45 53.80 30.83 -10.38 55.39 32.31 -10.42 54.59 31.57 3 0 1000.00 -999 ? >LEU^D 102 -6.55 50.67 27.94 -5.68 51.42 26.09 -6.12 51.05 27.01 3 0 1000.00 -999 ? >ASP^D 103 -7.42 47.58 31.34 -8.22 45.72 31.98 -7.82 46.65 31.66 2 0 1000.00 -999 ? >GLY^D 104 -9.77 50.47 34.48 -9.44 50.91 33.90 -9.60 50.69 34.19 1 0 1000.00 -999 ? >ALA^D 105 -9.19 53.78 36.23 -9.62 54.03 37.69 -9.41 53.91 36.96 2 0 1000.00 -999 ? >ILE^D 106 -5.55 56.05 34.26 -5.78 56.12 32.82 -5.66 56.09 33.54 3 0 1000.00 -999 ? >ARG^D 107 -3.73 58.35 40.99 -3.28 60.68 42.93 -3.51 59.52 41.96 2 0 1000.00 -999 ? >ASP^D 108 -3.46 61.66 33.60 -5.13 62.90 33.87 -4.29 62.28 33.74 2 0 1000.00 -999 ? >PHE^D 109 2.02 65.08 35.42 3.80 67.18 35.92 2.91 66.13 35.67 3 0 1000.00 -999 ? >ASN^D 110 -3.00 67.75 33.34 -4.30 66.27 32.54 -3.65 67.01 32.94 2 0 1000.00 -999 ? >LEU^D 111 1.55 70.72 31.34 2.55 72.67 31.14 2.05 71.69 31.24 3 0 1000.00 -999 ? >ILE^D 112 -3.68 73.27 31.18 -5.10 72.89 31.06 -4.39 73.08 31.12 3 0 1000.00 -999 ? >TYR^D 113 1.36 76.03 28.26 2.61 75.08 25.92 1.98 75.56 27.09 3 0 1000.00 -999 ? >ALA^D 114 -1.58 79.65 27.33 -2.03 80.94 28.00 -1.81 80.29 27.67 2 0 1000.00 -999 ? >PRO^D 115 -0.89 78.48 23.12 0.28 79.39 24.81 -0.31 78.94 23.97 3 0 1000.00 -999 ? >ARG^D 116 -2.72 84.06 21.65 -2.45 84.39 18.62 -2.59 84.22 20.13 2 0 1000.00 -999 ? >ARG^D 117 -1.25 85.08 29.19 -4.07 86.13 28.59 -2.66 85.60 28.89 2 0 1000.00 -999 ? >HIS^D 118 3.25 81.08 30.25 2.81 82.34 31.87 3.03 81.71 31.06 3 0 1000.00 -999 ? >ARG^D 119 7.83 80.24 23.64 7.33 81.14 20.76 7.58 80.69 22.20 2 0 1000.00 -999 ? >ALA^D 120 6.95 75.39 27.59 5.53 74.80 27.83 6.24 75.09 27.71 2 0 1000.00 -999 ? >ARG^D 121 12.96 71.66 27.62 14.18 68.81 27.55 13.57 70.23 27.58 2 0 1000.00 -999 ? >LEU^D 122 6.61 68.80 29.21 5.35 67.22 30.11 5.98 68.01 29.66 3 0 1000.00 -999 ? >GLN^D 123 12.48 64.92 28.88 14.38 65.20 28.02 13.43 65.06 28.45 2 0 1000.00 -999 ? >TRP^D 124 6.71 62.19 30.87 5.86 61.72 34.67 6.29 61.96 32.77 3 0 1000.00 -999 ? >LEU^D 125 14.27 62.99 33.54 14.99 64.64 32.34 14.63 63.82 32.94 3 0 1000.00 -999 ? >ARG^D 126 14.42 54.70 34.71 15.29 52.23 36.32 14.85 53.47 35.52 2 0 1000.00 -999 ? >VAL^D 127 16.95 59.58 37.65 16.93 61.33 38.95 16.94 60.45 38.30 3 0 1000.00 -999 ? >GLU^D 128 18.40 55.21 36.20 18.76 54.17 34.40 18.58 54.69 35.30 2 0 1000.00 -999 ? >GLY^D 129 21.88 57.75 40.62 21.33 58.29 40.25 21.60 58.02 40.44 1 0 1000.00 -999 ? >GLU^D 130 24.19 63.09 39.77 26.21 63.32 40.50 25.20 63.21 40.13 2 0 1000.00 -999 ? >LEU^D 131 20.25 63.09 35.69 18.22 63.84 35.43 19.24 63.47 35.56 3 0 1000.00 -999 ? >ASP^D 132 23.25 67.79 36.37 24.88 67.75 34.99 24.06 67.77 35.68 2 0 1000.00 -999 ? >TRP^D 133 18.22 71.71 32.86 16.29 69.62 35.59 17.26 70.66 34.22 3 0 1000.00 -999 ? >HIS^D 134 24.26 73.92 33.03 25.97 73.54 34.19 25.12 73.73 33.61 3 0 1000.00 -999 ? >GLY^D 135 18.82 75.91 31.76 19.22 76.32 32.37 19.02 76.12 32.06 1 0 1000.00 -999 ? >THR^D 136 17.70 79.53 31.63 18.67 81.13 30.52 18.18 80.33 31.07 2 0 1000.00 -999 ? >ALA^D 137 13.98 78.91 32.21 13.27 77.55 32.20 13.63 78.23 32.20 2 0 1000.00 -999 ? >SER^D 138 12.46 81.29 34.70 10.52 82.26 33.64 11.49 81.78 34.17 2 0 1000.00 -999 ? >THR^D 139 9.98 78.72 35.96 7.88 79.09 36.31 8.93 78.90 36.14 2 0 1000.00 -999 ? >LEU^D 140 12.18 74.67 37.12 12.93 72.59 37.00 12.56 73.63 37.06 3 0 1000.00 -999 ? >LEU^D 141 6.71 72.59 37.48 5.34 74.22 37.71 6.02 73.40 37.59 3 0 1000.00 -999 ? >LEU^D 142 11.27 69.33 39.39 12.00 67.39 38.76 11.64 68.36 39.08 3 0 1000.00 -999 ? >PHE^D 143 5.05 65.35 39.16 3.17 63.44 39.97 4.11 64.40 39.57 3 0 1000.00 -999 ? >ALA^D 144 8.43 63.24 41.16 9.13 63.17 42.53 8.78 63.20 41.84 2 0 1000.00 -999 ? >GLN^D 145 5.20 58.46 38.88 5.08 57.22 37.19 5.14 57.84 38.04 2 0 1000.00 -999 ? >GLN^D 146 8.35 56.07 40.71 9.42 55.03 39.21 8.88 55.55 39.96 2 0 1000.00 -999 ? >ASP^D 147 9.51 57.89 47.08 9.82 59.04 48.83 9.67 58.47 47.96 2 0 1000.00 -999 ? >GLY^D 148 13.52 59.57 46.72 13.23 60.02 46.24 13.37 59.79 46.48 1 0 1000.00 -999 ? >VAL^D 149 14.63 62.37 44.45 14.21 62.69 42.33 14.42 62.53 43.39 3 0 1000.00 -999 ? >ALA^D 150 16.98 64.92 45.95 18.20 64.52 46.78 17.59 64.72 46.36 2 0 1000.00 -999 ? >ILE^D 151 16.14 69.08 43.82 15.05 69.48 42.96 15.60 69.28 43.39 3 0 1000.00 -999 ? >SER^D 152 20.27 70.69 44.22 22.26 69.76 43.25 21.27 70.23 43.74 2 0 1000.00 -999 ? >LEU^D 153 19.28 75.00 42.69 18.63 76.61 41.38 18.95 75.80 42.03 3 0 1000.00 -999 ? >GLN^D 154 22.65 77.96 41.35 23.07 78.24 39.27 22.86 78.10 40.31 2 0 1000.00 -999 ? >GLY^D 155 25.44 72.90 43.89 24.80 73.25 44.15 25.12 73.07 44.02 1 0 1000.00 -999 ? >GLN^D 156 22.40 75.18 48.68 21.59 77.14 48.95 21.99 76.16 48.81 2 0 1000.00 -999 ? >PRO^D 157 22.28 70.72 50.13 21.40 71.31 48.16 21.84 71.02 49.15 3 0 1000.00 -999 ? >ARG^D 158 18.32 74.92 47.47 16.95 77.64 47.17 17.64 76.28 47.32 2 0 1000.00 -999 ? >GLY^D 159 15.20 69.37 49.40 15.70 69.10 48.84 15.45 69.23 49.12 1 0 1000.00 -999 ? >GLN^D 160 15.73 64.55 49.68 16.23 63.19 51.24 15.98 63.87 50.46 2 0 1000.00 -999 ? >LEU^D 161 10.51 65.10 45.51 10.96 66.94 44.44 10.74 66.02 44.97 3 0 1000.00 -999 ? >ALA^D 162 8.42 61.89 48.04 7.54 61.90 49.29 7.98 61.89 48.66 2 0 1000.00 -999 ? >ALA^D 163 6.09 60.28 45.46 5.47 58.89 45.53 5.78 59.59 45.49 2 0 1000.00 -999 ? >HIS^D 164 2.10 61.38 42.99 1.34 59.80 41.84 1.72 60.59 42.41 3 0 1000.00 -999 ? >ASP^D 165 6.76 65.86 46.46 6.11 65.09 48.34 6.43 65.48 47.40 2 0 1000.00 -999 ? >CYH^D 166 6.65 68.76 43.13 5.70 70.01 40.69 6.17 69.39 41.91 2 0 1000.00 -999 ? >LEU^D 167 10.79 71.25 42.88 12.37 72.70 43.04 11.58 71.98 42.96 3 0 1000.00 -999 ? >CYH^D 168 8.05 74.78 42.11 5.94 76.63 41.55 6.99 75.71 41.83 2 0 1000.00 -999 ? >ALA^D 169 10.68 77.43 41.30 12.11 76.97 41.01 11.39 77.20 41.16 2 0 1000.00 -999 ? >GLU^D 170 7.04 80.43 39.56 5.16 81.23 40.11 6.10 80.83 39.83 2 0 1000.00 -999 ? >GLY^D 171 11.30 84.01 38.97 11.65 83.30 38.94 11.47 83.65 38.95 1 0 1000.00 -999 ? >LEU^D 172 14.82 80.89 37.81 14.69 79.02 38.92 14.76 79.95 38.36 3 0 1000.00 -999 ? >GLN^D 173 16.19 86.86 37.65 15.28 87.82 35.96 15.73 87.34 36.81 2 0 1000.00 -999 ? >GLY^D 174 20.02 83.54 34.39 19.44 83.03 34.58 19.73 83.29 34.48 1 0 1000.00 -999 ? >LEU^D 175 22.88 79.99 32.94 23.31 78.22 31.74 23.09 79.11 32.34 3 0 1000.00 -999 ? >GLN^D 176 18.45 78.72 36.85 19.22 80.10 38.31 18.83 79.41 37.58 2 0 1000.00 -999 ? >HIS^D 177 24.63 72.95 37.32 25.61 71.10 37.19 25.12 72.03 37.26 3 0 1000.00 -999 ? >TRP^D 178 17.74 73.75 36.67 15.83 74.47 40.05 16.78 74.11 38.36 3 0 1000.00 -999 ? >ARG^D 179 24.40 66.74 41.13 26.14 67.20 38.64 25.27 66.97 39.89 2 0 1000.00 -999 ? >LEU^D 180 17.67 65.05 39.95 16.09 66.40 39.41 16.88 65.72 39.68 3 0 1000.00 -999 ? >THR^D 181 19.99 62.40 42.72 21.12 62.45 44.52 20.55 62.43 43.62 2 0 1000.00 -999 ? >ALA^D 182 18.21 59.19 43.75 17.06 58.97 42.78 17.64 59.08 43.27 2 0 1000.00 -999 ? >HIS^D 183 19.78 56.40 47.87 20.94 57.69 49.06 20.36 57.04 48.47 3 0 1000.00 -999 ? >GLU^D 184 14.31 52.33 43.81 14.96 50.34 43.36 14.63 51.33 43.59 2 0 1000.00 -999 ? >PRO^D 185 17.06 53.09 39.45 15.94 54.49 40.74 16.50 53.79 40.09 3 0 1000.00 -999 ? >ALA^D 186 12.92 57.37 40.06 12.89 58.19 41.33 12.90 57.78 40.69 2 0 1000.00 -999 ? >TRP^D 187 10.27 55.80 35.78 11.53 57.14 32.30 10.90 56.47 34.04 3 0 1000.00 -999 ? >VAL^D 188 10.46 62.71 37.34 12.43 63.33 38.15 11.44 63.02 37.74 3 0 1000.00 -999 ? >CYH^D 189 8.80 65.13 34.93 6.84 65.71 33.06 7.82 65.42 34.00 2 0 1000.00 -999 ? >ALA^D 190 10.67 68.37 34.36 12.12 68.35 33.92 11.40 68.36 34.14 2 0 1000.00 -999 ? >VAL^D 191 8.36 71.17 33.18 6.19 71.04 33.22 7.27 71.10 33.20 3 0 1000.00 -999 ? >GLU^D 192 12.24 73.45 32.60 14.05 72.74 31.79 13.14 73.10 32.20 2 0 1000.00 -999 ? >LEU^D 193 6.79 77.82 32.14 4.99 76.61 32.24 5.89 77.22 32.19 3 0 1000.00 -999 ? >ASP^D 194 10.29 81.20 29.24 12.12 80.77 30.15 11.20 80.99 29.70 2 0 1000.00 -999 ? >SER^D 195 6.95 84.20 29.95 6.34 84.22 32.29 6.65 84.21 31.12 2 0 1000.00 -999 ? >LEU^D 196 4.95 86.66 26.34 4.60 87.95 24.66 4.78 87.31 25.50 3 0 1000.00 -999 ? >GLY^D 197 8.36 89.55 27.39 8.65 88.86 27.65 8.50 89.20 27.52 1 0 1000.00 -999 ?