REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-JUL-05 2A5Z COMPND HYPOTHETICAL PROTEIN SO2946; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; SOURCE 3 ORGANISM_TAXID: 211586; SOURCE 4 STRAIN: MR-1; SOURCE 5 GENE: SO2946; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR B.NOCEK,L.BIGELOW,J.ABDULLAH,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 29 8 HET MSE A 56 8 HET MSE A 57 8 HET MSE A 107 8 HET MSE A 109 8 HET MSE A 191 8 HET MSE A 218 8 HET MSE B 29 8 HET MSE B 56 8 HET MSE B 57 8 HET MSE B 107 8 HET MSE B 109 8 HET MSE B 191 8 HET MSE B 218 8 HET MSE C 29 8 HET MSE C 56 8 HET MSE C 57 8 HET MSE C 107 8 HET MSE C 109 8 HET MSE C 191 8 HET MSE C 218 8 HET MG A 701 1 HET MG B 701 1 HET MG C 701 1 SITE 1 AC1 4 ASP A 54 PHE A 88 GLY A 89 ASP A 247 SITE 1 AC2 4 ASP B 54 PHE B 88 GLY B 89 ASP B 247 SITE 1 AC3 4 ASP C 54 PHE C 88 GLY C 89 ASP C 247 >THR.A 24 70.24 40.27 39.11 71.13 41.99 38.11 70.69 41.13 38.61 2 0 24.27 -999 ? MG MG B 701 >THR.A 25 67.50 40.53 41.77 66.52 42.39 41.20 67.01 41.46 41.49 2 0 28.72 -999 ? MG MG B 701 >PRO.A 26 67.21 37.90 45.24 66.08 38.20 43.32 66.64 38.05 44.28 3 0 28.05 -999 ? MG MG B 701 >GLY.A 27 61.99 37.47 42.31 62.25 36.71 42.38 62.12 37.09 42.35 1 0 29.87 -999 ? MG MG B 701 >LEU.A 28 57.60 35.97 41.00 56.30 37.34 42.12 56.95 36.65 41.56 3 0 31.95 -999 ? MG MG A 701 >MET?A 29 59.18 32.31 39.10 59.84 28.17 39.32 59.51 30.24 39.21 2 0 24.87 -999 ? MG MG A 701 >SER~A 30 57.74 32.64 35.58 58.18 32.48 33.19 57.96 32.56 34.39 2 0 23.07 -999 ? MG MG A 701 >PRO~A 31 53.64 32.11 34.27 55.44 30.78 34.51 54.54 31.44 34.39 3 0 23.61 -999 ? MG MG A 701 >SER~A 32 57.41 29.18 31.46 58.96 30.92 30.71 58.18 30.05 31.08 2 0 20.26 -999 ? MG MG A 701 >GLU~A 33 61.74 30.73 34.14 62.42 32.31 35.40 62.08 31.52 34.77 2 0 24.57 -999 ? MG MG A 701 >LYS~A 34 58.02 26.41 36.02 53.85 24.78 39.05 55.94 25.60 37.54 2 0 23.69 -999 ? MG MG A 701 >LEU~A 35 56.31 25.32 31.60 55.04 24.54 30.00 55.67 24.93 30.80 3 0 16.49 -999 ? MG MG A 701 >LYS~A 36 60.71 24.09 31.98 64.73 28.24 29.45 62.72 26.17 30.72 2 0 18.15 -999 ? MG MG A 701 >LEU~A 37 61.21 23.37 36.76 62.86 24.16 37.93 62.04 23.77 37.35 3 0 20.96 -999 ? MG MG C 701 >SER~A 38 58.22 20.38 35.11 56.68 21.13 33.38 57.45 20.76 34.25 2 0 16.59 -999 ? MG MG A 701 >THR~A 39 59.79 18.52 32.16 58.70 19.38 30.50 59.25 18.95 31.33 2 0 13.04 -999 ? MG MG A 701 >LEU.A 40 63.94 19.19 34.65 66.02 19.57 35.24 64.98 19.38 34.95 3 0 16.70 -999 ? MG MG C 701 >THR.A 41 65.00 15.03 32.85 65.86 14.10 31.10 65.43 14.57 31.97 2 0 14.34 -999 ? MG MG A 701 >THR.A 42 65.75 13.48 36.25 64.57 12.28 37.64 65.16 12.88 36.94 2 0 10.34 -999 ? MG MG C 701 >SER.A 43 69.43 13.47 37.28 69.89 15.67 38.21 69.66 14.57 37.74 2 0 10.91 -999 ? MG MG C 701 >ILE.A 44 70.12 13.32 42.16 71.25 13.29 43.17 70.69 13.31 42.66 3 0 7.99 -999 ? MG MG C 701 >ALA.A 45 65.94 11.22 41.94 65.45 9.83 41.60 65.69 10.52 41.77 2 0 7.24 -999 ? MG MG C 701 >THR.A 46 64.15 12.28 45.11 64.74 13.98 46.33 64.44 13.13 45.72 2 0 11.72 -999 ? MG MG C 701 >SER.A 47 60.32 12.10 44.92 59.41 14.26 44.33 59.86 13.18 44.62 2 0 14.98 -999 ? MG MG C 701 >ASP^A 48 58.63 12.59 40.73 59.48 14.53 40.58 59.05 13.56 40.66 2 0 14.87 -999 ? MG MG C 701 >PHE^A 49 62.21 8.81 36.42 63.74 8.41 34.13 62.97 8.61 35.28 3 0 10.86 -999 ? MG MG C 701 >TYR^A 50 59.64 14.17 33.31 58.40 14.93 30.93 59.02 14.55 32.12 3 0 13.87 -999 ? MG MG A 701 >ALA^A 51 62.31 11.66 31.12 63.15 10.36 31.07 62.73 11.01 31.09 2 0 14.07 -999 ? MG MG A 701 >SER^A 52 61.31 12.67 27.61 61.21 15.11 27.89 61.26 13.89 27.75 2 0 9.77 -999 ? MG MG A 701 >TYR^A 53 64.63 11.55 22.72 66.26 12.10 20.52 65.45 11.83 21.62 3 0 7.48 -999 ? MG MG A 701 >ASP.A 54 61.38 16.00 21.32 59.47 16.81 20.79 60.43 16.40 21.05 2 0 -3.15 -999 ? MG MG A 701s >PHE.A 55 62.40 10.55 18.57 62.10 8.29 20.18 62.25 9.42 19.38 3 0 6.25 -999 ? MG MG A 701 >MET?A 56 65.45 15.85 17.00 65.96 16.89 20.33 65.70 16.37 18.67 2 0 7.03 -999 ? MG MG A 701 >MET?A 57 68.97 14.38 17.20 70.17 13.60 21.17 69.57 13.99 19.19 2 0 11.11 -999 ? MG MG A 701 >HIS.A 58 73.31 12.77 13.13 74.36 11.81 11.59 73.84 12.29 12.36 3 0 15.70 -999 ? MG MG A 701 >SER.A 59 70.42 9.22 14.86 68.78 8.60 13.15 69.60 8.91 14.01 2 0 12.32 -999 ? MG MG A 701 >ILE.A 60 74.55 7.94 12.43 74.56 6.96 11.26 74.55 7.45 11.84 3 0 17.97 -999 ? MG MG A 701 >GLY.A 61 75.05 5.65 16.53 74.39 6.12 16.56 74.72 5.88 16.54 1 0 18.17 -999 ? MG MG A 701 >LEU.A 62 71.56 8.33 18.46 70.69 9.94 19.64 71.13 9.14 19.05 3 0 12.99 -999 ? MG MG A 701 >THR.A 63 71.70 4.53 21.46 73.57 3.49 21.52 72.63 4.01 21.49 2 0 18.41 -999 ? MG MG A 701 >SER^A 64 70.19 6.72 24.20 72.04 6.69 25.77 71.11 6.71 24.99 2 0 15.94 -999 ? MG MG C 701 >ALA^A 65 68.94 10.21 25.07 68.31 10.86 23.84 68.63 10.53 24.46 2 0 11.18 -999 ? MG MG A 701 >ASN.A 66 66.47 12.63 27.80 67.04 14.32 26.60 66.75 13.48 27.20 2 0 11.24 -999 ? MG MG A 701 >ASN.A 67 67.02 8.67 31.53 67.88 10.12 32.86 67.45 9.39 32.20 2 0 10.49 -999 ? MG MG C 701 >ILE^A 68 64.66 7.33 26.73 63.43 7.82 26.55 64.05 7.58 26.64 3 0 12.03 -999 ? MG MG A 701 >SER^A 69 67.23 3.64 25.48 67.48 2.02 27.30 67.35 2.83 26.39 2 0 15.19 -999 ? MG MG C 701 >LEU^A 70 67.45 5.37 21.10 66.43 7.26 21.49 66.94 6.32 21.29 3 0 11.76 -999 ? MG MG A 701 >LEU^A 71 67.31 -0.60 21.56 68.00 -0.75 23.62 67.65 -0.67 22.59 3 0 18.12 -999 ? MG MG A 701 >SER^A 72 68.01 -0.69 16.92 68.27 1.43 15.73 68.14 0.37 16.33 2 0 16.29 -999 ? MG MG A 701 >THR^A 73 68.17 -4.40 16.08 67.12 -5.15 17.82 67.65 -4.77 16.95 2 0 21.48 -999 ? MG MG A 701 >GLY.A 74 68.10 -6.55 12.94 68.40 -5.80 12.98 68.25 -6.18 12.96 1 0 23.74 -999 ? MG MG A 701 >ASN.A 75 70.31 -4.43 9.67 72.05 -3.39 9.02 71.18 -3.91 9.35 2 0 24.04 -999 ? MG MG A 701 >ILE.A 76 65.65 -1.38 12.47 64.82 -1.15 12.56 65.24 -1.26 12.52 3 0 18.11 -999 ? MG MG A 701 >SER^A 77 66.34 1.32 8.80 66.49 2.14 6.53 66.42 1.73 7.66 2 0 18.70 -999 ? MG MG A 701 >LEU^A 78 66.89 5.05 11.89 66.54 4.24 13.89 66.72 4.64 12.89 3 0 13.66 -999 ? MG MG A 701 >GLN.A 79 63.09 5.98 7.04 64.30 4.89 5.67 63.70 5.43 6.35 2 0 16.81 -999 ? MG MG A 701 >ASN.A 80 66.12 11.82 6.84 68.01 11.58 5.92 67.07 11.70 6.38 2 0 15.35 -999 ? MG MG A 701 >ILE.A 81 65.54 13.63 12.10 65.01 13.03 13.29 65.27 13.33 12.70 3 0 8.16 -999 ? MG MG A 701 >LEU^A 82 61.09 14.93 8.72 59.55 13.43 8.39 60.32 14.18 8.56 3 0 9.77 -999 ? MG MG A 701 >SER^A 83 59.26 17.70 11.42 60.64 18.84 13.06 59.95 18.27 12.24 2 0 6.60 -999 ? MG MG A 701 >GLU^A 84 54.12 16.09 9.22 53.96 13.99 8.97 54.04 15.04 9.10 2 0 10.87 -999 ? MG MG A 701 >GLY.A 85 53.20 20.62 11.56 53.96 20.35 11.86 53.58 20.48 11.71 1 0 10.82 -999 ? MG MG A 701 >ASN.A 86 52.46 21.17 16.29 51.83 23.18 16.00 52.15 22.17 16.14 2 0 11.50 -999 ? MG MG A 701 >HIS^A 87 53.38 15.75 15.15 51.50 15.23 15.92 52.44 15.49 15.54 3 0 7.61 -999 ? MG MG A 701 >PHE^A 88 60.45 20.17 17.26 63.10 20.95 17.74 61.77 20.56 17.50 3 0 -6.11 -999 ? MG MG A 701s >GLY^A 89 61.44 15.91 15.51 60.63 15.81 15.38 61.04 15.86 15.44 1 0 -3.49 -999 ? MG MG A 701s >VAL^A 90 60.10 12.72 13.98 58.02 12.83 13.22 59.06 12.77 13.60 3 0 5.16 -999 ? MG MG A 701 >GLN.A 91 63.43 7.49 14.32 65.09 7.98 13.07 64.26 7.73 13.69 2 0 10.31 -999 ? MG MG A 701 >PRO.A 92 60.76 9.43 9.32 60.75 7.88 10.98 60.76 8.65 10.15 3 0 10.33 -999 ? MG MG A 701 >ILE^A 93 61.00 3.04 12.08 61.18 2.76 13.38 61.09 2.90 12.73 3 0 13.34 -999 ? MG MG A 701 >VAL^A 94 61.50 1.08 7.83 61.47 1.81 5.73 61.48 1.45 6.78 3 0 17.82 -999 ? MG MG A 701 >SER.A 95 61.93 -2.71 7.75 60.62 -3.71 5.95 61.27 -3.21 6.85 2 0 22.37 -999 ? MG MG A 701 >SER.A 96 65.10 -4.54 6.75 66.02 -5.36 8.84 65.56 -4.95 7.80 2 0 23.30 -999 ? MG MG A 701 >THR.A 97 65.92 -8.00 5.36 67.50 -7.67 3.91 66.71 -7.83 4.63 2 0 27.94 -999 ? MG MG A 701 >THR.A 98 66.14 -9.40 8.92 67.92 -9.45 10.18 67.03 -9.42 9.55 2 0 27.02 -999 ? MG MG A 701 >ALA.A 99 63.00 -10.85 10.48 62.57 -12.30 10.39 62.79 -11.58 10.44 2 0 28.51 -999 ? MG MG A 701 >ASN.A 100 62.21 -10.46 14.85 60.81 -12.07 14.72 61.51 -11.26 14.78 2 0 27.27 -999 ? MG MG A 701 >ALA.A 101 64.07 -6.20 13.22 64.52 -5.72 11.86 64.29 -5.96 12.54 2 0 22.19 -999 ? MG MG A 701 >SER^A 102 62.91 -3.41 15.53 63.35 -4.37 17.74 63.13 -3.89 16.64 2 0 19.69 -999 ? MG MG A 701 >PHE^A 103 63.67 2.56 16.92 64.56 4.80 18.35 64.12 3.68 17.63 3 0 12.17 -999 ? MG MG A 701 >LEU^A 104 63.00 -0.84 21.57 62.47 -1.38 23.64 62.73 -1.11 22.61 3 0 16.93 -999 ? MG MG A 701 >ALA^A 105 62.51 3.65 22.67 61.88 4.93 22.09 62.20 4.29 22.38 2 0 10.97 -999 ? MG MG A 701 >GLY^A 106 62.19 2.63 26.31 62.94 2.86 26.25 62.57 2.74 26.28 1 0 14.94 -999 ? MG MG A 701 >MET?A 107 63.47 2.13 29.83 63.29 6.02 31.50 63.38 4.08 30.66 2 0 12.86 -999 ? MG MG C 701 >LEU^A 108 65.47 -0.98 32.91 67.31 -1.83 32.19 66.39 -1.41 32.55 3 0 12.32 -999 ? MG MG C 701 >MET?A 109 61.19 -2.09 34.23 58.72 -4.65 31.95 59.95 -3.37 33.09 2 0 18.70 -999 ? MG MG C 701 >ALA^A 110 63.27 -2.73 37.37 64.67 -3.33 37.39 63.97 -3.03 37.38 2 0 11.68 -999 ? MG MG C 701 >ILE^A 111 64.29 2.06 37.43 65.10 2.59 36.46 64.69 2.32 36.94 3 0 8.57 -999 ? MG MG C 701 >PHE^A 112 59.83 2.79 35.76 61.13 5.01 34.68 60.48 3.90 35.22 3 0 12.56 -999 ? MG MG C 701 >PRO^A 113 59.06 0.14 41.92 58.40 -0.65 39.93 58.73 -0.26 40.93 3 0 13.69 -999 ? MG MG C 701 >LYS^A 114 54.18 -1.23 40.51 53.94 -5.10 44.53 54.06 -3.17 42.52 2 0 20.38 -999 ? MG MG C 701 >GLU^A 115 55.20 0.02 45.29 56.88 -1.06 44.59 56.04 -0.52 44.94 2 0 15.96 -999 ? MG MG C 701 >SER^A 116 55.97 3.85 40.88 56.72 2.86 38.81 56.35 3.35 39.85 2 0 14.95 -999 ? MG MG C 701 >GLU^A 117 50.51 5.19 39.94 49.74 6.59 41.32 50.13 5.89 40.63 2 0 21.47 -999 ? MG MG C 701 >LEU^A 118 55.65 3.78 35.17 57.06 4.16 33.52 56.36 3.97 34.35 3 0 16.58 -999 ? MG MG C 701 >GLU^A 119 51.31 8.49 32.24 50.39 10.26 32.87 50.85 9.38 32.56 2 0 17.86 -999 ? MG MG A 701 >VAL^A 120 54.22 6.48 29.38 55.65 4.90 28.73 54.93 5.69 29.05 3 0 14.93 -999 ? MG MG A 701 >THR^A 121 52.99 8.88 26.66 51.75 10.56 27.17 52.37 9.72 26.92 2 0 12.61 -999 ? MG MG A 701 >VAL^A 122 53.82 8.32 22.99 54.76 6.37 22.50 54.29 7.34 22.74 3 0 10.25 -999 ? MG MG A 701 >TYR^A 123 52.83 12.85 21.13 51.71 14.27 23.26 52.27 13.56 22.19 3 0 8.37 -999 ? MG MG A 701 >PHE^A 124 51.93 6.28 17.67 49.44 5.13 18.27 50.68 5.71 17.97 3 0 12.79 -999 ? MG MG A 701 >LYS^A 125 52.29 8.22 13.22 52.62 11.67 7.91 52.45 9.94 10.57 2 0 12.86 -999 ? MG MG A 701 >THR^A 126 50.90 5.20 11.36 48.77 5.12 11.74 49.83 5.16 11.55 2 0 15.96 -999 ? MG MG A 701 >PRO^A 127 52.40 2.16 8.56 52.17 4.40 8.60 52.28 3.28 8.58 3 0 16.79 -999 ? MG MG A 701 >SER^A 128 50.81 5.22 4.53 52.69 4.89 3.03 51.75 5.06 3.78 2 0 19.49 -999 ? MG MG A 701 >ALA^A 129 49.99 1.53 4.18 50.48 0.92 2.87 50.24 1.23 3.53 2 0 22.69 -999 ? MG MG A 701 >PHE^A 130 47.62 -0.08 8.51 46.85 2.06 10.15 47.23 0.99 9.33 3 0 20.63 -999 ? MG MG A 701 >ASN^A 131 52.34 -4.29 6.32 53.14 -5.85 5.11 52.74 -5.07 5.71 2 0 25.41 -999 ? MG MG A 701 >PRO^A 132 50.17 -8.82 6.48 50.33 -7.28 8.11 50.25 -8.05 7.29 3 0 27.10 -999 ? MG MG A 701 >ALA^A 133 54.05 -7.91 9.36 55.12 -7.96 8.26 54.58 -7.94 8.81 2 0 25.37 -999 ? MG MG A 701 >GLN^A 134 53.73 -2.85 9.66 52.31 -1.53 8.75 53.02 -2.19 9.21 2 0 20.34 -999 ? MG MG A 701 >LEU^A 135 54.39 -6.56 15.74 53.95 -7.60 17.62 54.17 -7.08 16.68 3 0 22.71 -999 ? MG MG A 701 >THR^A 136 54.02 -2.16 17.51 54.12 -0.13 16.72 54.07 -1.14 17.12 2 0 16.07 -999 ? MG MG A 701 >VAL^A 137 53.68 -2.15 21.29 54.07 -4.02 22.41 53.88 -3.09 21.85 3 0 19.22 -999 ? MG MG A 701 >ILE^A 138 52.46 2.02 23.43 52.25 2.98 22.86 52.35 2.50 23.14 3 0 15.16 -999 ? MG MG A 701 >GLY^A 139 53.88 -0.86 27.08 54.56 -0.91 26.55 54.22 -0.89 26.81 1 0 18.95 -999 ? MG MG A 701 >SER^A 140 56.17 -3.68 28.22 54.85 -5.29 29.46 55.51 -4.48 28.84 2 0 22.99 -999 ? MG MG C 701 >THR^A 141 57.90 -5.91 25.66 58.48 -4.95 23.76 58.19 -5.43 24.71 2 0 20.66 -999 ? MG MG A 701 >SER^A 142 60.64 -8.40 24.84 59.68 -10.63 24.57 60.16 -9.52 24.70 2 0 26.08 -999 ? MG MG C 701 >ILE^A 143 64.97 -6.23 24.80 66.36 -5.96 25.12 65.66 -6.10 24.96 3 0 20.99 -999 ? MG MG C 701 >GLY^A 144 65.20 -6.35 20.32 64.50 -6.63 20.48 64.85 -6.49 20.40 1 0 22.12 -999 ? MG MG A 701 >LEU^A 145 65.54 -10.19 17.41 66.90 -9.71 15.77 66.22 -9.95 16.59 3 0 25.82 -999 ? MG MG A 701 >GLY^A 146 62.22 -10.97 20.72 62.01 -10.39 20.17 62.12 -10.68 20.45 1 0 26.16 -999 ? MG MG A 701 >ILE^A 147 58.12 -11.86 18.55 58.39 -12.51 18.02 58.26 -12.18 18.29 3 0 27.14 -999 ? MG MG A 701 >SER^A 148 57.50 -13.71 22.93 59.36 -13.87 24.47 58.43 -13.79 23.70 2 0 28.38 -999 ? MG MG C 701 >ASP^A 149 56.92 -11.35 26.76 57.32 -13.35 27.33 57.12 -12.35 27.05 2 0 27.35 -999 ? MG MG C 701 >ARG^A 150 53.35 -8.01 21.67 53.64 -10.78 20.35 53.49 -9.39 21.01 2 0 26.46 -999 ? MG MG A 701 >SER^A 151 51.59 -5.95 27.37 51.31 -7.47 29.25 51.45 -6.71 28.31 2 0 26.27 -999 ? MG MG A 701 >GLY^A 152 49.88 -2.63 26.65 49.58 -3.22 26.13 49.73 -2.92 26.39 1 0 21.72 -999 ? MG MG A 701 >LEU^A 153 48.31 0.34 23.09 46.67 1.11 21.83 47.49 0.72 22.46 3 0 19.09 -999 ? MG MG A 701 >ILE^A 154 49.19 -5.20 20.96 49.56 -6.47 21.35 49.38 -5.83 21.15 3 0 23.29 -999 ? MG MG A 701 >ILE^A 155 49.58 -1.24 16.58 49.35 0.13 16.23 49.47 -0.56 16.40 3 0 18.56 -999 ? MG MG A 701 >GLU^A 156 49.52 -7.64 15.86 48.76 -9.50 16.57 49.14 -8.57 16.22 2 0 26.76 -999 ? MG MG A 701 >ASN^A 157 47.35 -5.32 10.32 47.35 -5.40 8.18 47.35 -5.36 9.25 2 0 25.76 -999 ? MG MG A 701 >GLY^A 158 45.72 -1.58 11.16 45.70 -2.21 11.66 45.71 -1.90 11.41 1 0 22.67 -999 ? MG MG A 701 >ASN^A 159 43.71 -4.31 14.44 42.11 -4.58 13.05 42.91 -4.44 13.74 2 0 26.67 -999 ? MG MG A 701 >ALA^A 160 45.03 -1.37 17.83 45.07 0.13 18.10 45.05 -0.62 17.96 2 0 20.69 -999 ? MG MG A 701 >PHE^A 161 44.63 -5.77 20.04 46.69 -7.53 19.33 45.66 -6.65 19.68 3 0 25.70 -999 ? MG MG A 701 >GLY^A 162 44.80 -3.70 24.57 44.55 -4.32 24.00 44.67 -4.01 24.28 1 0 24.58 -999 ? MG MG A 701 >GLY^A 163 46.24 -7.09 25.47 46.76 -6.55 25.77 46.50 -6.82 25.62 1 0 26.71 -999 ? MG MG A 701 >ILE^A 164 48.56 -9.70 28.62 48.71 -9.60 30.05 48.63 -9.65 29.33 3 0 29.08 -999 ? MG MG A 701 >VAL^A 165 51.03 -11.81 25.36 51.25 -11.98 23.17 51.14 -11.89 24.26 3 0 28.74 -999 ? MG MG A 701 >LYS^A 166 53.27 -14.15 27.36 51.24 -11.99 32.95 52.25 -13.07 30.15 2 0 27.84 -999 ? MG MG C 701 >ALA^A 167 55.55 -16.85 25.92 55.56 -18.05 26.88 55.55 -17.45 26.40 2 0 31.80 -999 ? MG MG C 701 >SER^A 168 54.16 -16.35 22.38 56.32 -17.03 21.49 55.24 -16.69 21.93 2 0 32.28 -999 ? MG MG A 701 >ALA^A 169 50.53 -16.93 23.44 50.19 -18.26 24.14 50.36 -17.59 23.79 2 0 34.98 -999 ? MG MG A 701 >ALA^A 170 47.80 -14.34 24.06 46.77 -13.91 23.03 47.28 -14.13 23.54 2 0 31.90 -999 ? MG MG A 701 >THR^A 171 46.47 -14.52 27.63 48.28 -14.22 28.82 47.38 -14.37 28.23 2 0 32.75 -999 ? MG MG C 701 >GLU^A 172 43.32 -10.10 29.38 43.90 -8.94 31.03 43.61 -9.52 30.21 2 0 31.26 -999 ? MG MG A 701 >THR^A 173 42.89 -9.57 24.35 43.53 -10.48 22.47 43.21 -10.03 23.41 2 0 30.32 -999 ? MG MG A 701 >GLY^A 174 40.61 -6.52 24.25 40.89 -6.92 23.59 40.75 -6.72 23.92 1 0 29.22 -999 ? MG MG A 701 >SER^A 175 38.37 -5.41 21.38 37.18 -3.33 21.85 37.78 -4.37 21.62 2 0 29.09 -999 ? MG MG A 701 >THR^A 176 40.14 -4.00 18.32 40.31 -5.65 16.91 40.23 -4.82 17.61 2 0 28.19 -999 ? MG MG A 701 >TYR^A 177 40.25 2.06 17.45 39.69 4.62 16.48 39.97 3.34 16.96 3 0 22.77 -999 ? MG MG A 701 >ALA^A 178 40.76 0.23 13.29 39.73 -0.03 12.20 40.25 0.10 12.74 2 0 25.54 -999 ? MG MG A 701 >LEU^A 179 44.85 2.79 13.37 45.75 2.68 15.34 45.30 2.73 14.35 3 0 19.14 -999 ? MG MG A 701 >SER^A 180 43.61 5.47 10.12 41.68 6.89 10.54 42.65 6.18 10.33 2 0 21.04 -999 ? MG MG A 701 >THR^A 181 46.65 5.27 7.85 47.17 4.72 5.81 46.91 5.00 6.83 2 0 20.30 -999 ? MG MG A 701 >SER^A 182 49.15 8.22 7.75 50.00 8.11 5.47 49.57 8.16 6.61 2 0 17.35 -999 ? MG MG A 701 >THR^A 183 47.65 9.55 10.97 45.49 9.38 11.00 46.57 9.47 10.99 2 0 16.76 -999 ? MG MG A 701 >TRP^A 184 50.79 13.51 12.39 54.12 12.27 14.07 52.45 12.89 13.23 3 0 8.92 -999 ? MG MG A 701 >TYR^A 185 46.60 7.51 16.27 44.74 6.88 14.29 45.67 7.20 15.28 3 0 16.15 -999 ? MG MG A 701 >ILE^A 186 48.23 11.00 21.87 48.36 12.30 22.35 48.29 11.65 22.11 3 0 12.32 -999 ? MG MG A 701 >CYH^A 187 48.80 6.76 23.50 49.01 4.01 24.12 48.91 5.39 23.81 2 0 16.25 -999 ? MG MG A 701 >LYS^A 188 48.99 6.88 27.27 46.76 10.78 31.31 47.87 8.83 29.29 2 0 18.73 -999 ? MG MG A 701 >PHE^A 189 51.46 1.56 29.47 51.81 -0.83 30.91 51.63 0.37 30.19 3 0 20.42 -999 ? MG MG A 701 >LYS^A 190 49.36 3.72 32.87 49.92 6.99 37.26 49.64 5.36 35.06 2 0 21.76 -999 ? MG MG C 701 >MET?A 191 50.93 1.25 35.28 54.68 0.32 36.99 52.81 0.78 36.14 2 0 17.87 -999 ? MG MG C 701 >LEU^A 192 47.21 -0.03 37.98 45.58 0.82 36.73 46.39 0.40 37.35 3 0 25.64 -999 ? MG MG C 701 >THR^A 193 49.71 -0.08 41.76 48.85 1.47 43.02 49.28 0.69 42.39 2 0 22.70 -999 ? MG MG C 701 >ASP^A 194 47.34 -4.27 41.64 45.97 -3.52 40.17 46.66 -3.89 40.90 2 0 26.77 -999 ? MG MG C 701 >ASP^A 195 51.86 -5.14 38.40 53.73 -4.66 37.51 52.79 -4.90 37.96 2 0 20.55 -999 ? MG MG C 701 >ARG^A 196 44.17 -5.39 37.41 42.87 -2.64 38.13 43.52 -4.02 37.77 2 0 29.63 -999 ? MG MG C 701 >PHE^A 197 48.26 -2.66 31.09 47.51 -4.43 29.06 47.89 -3.55 30.07 3 0 24.83 -999 ? MG MG A 701 >LYS^A 198 45.33 0.78 31.34 40.98 4.57 30.88 43.15 2.67 31.11 2 0 24.70 -999 ? MG MG A 701 >VAL^A 199 45.97 2.03 27.81 46.89 0.26 26.86 46.43 1.15 27.34 3 0 21.07 -999 ? MG MG A 701 >THR^A 200 44.20 4.93 26.12 43.01 6.21 27.43 43.61 5.57 26.78 2 0 20.80 -999 ? MG MG A 701 >LEU^A 201 44.23 4.87 21.39 44.79 4.84 19.30 44.51 4.85 20.35 3 0 18.21 -999 ? MG MG A 701 >TYR^A 202 44.20 10.40 23.94 44.05 9.92 26.69 44.12 10.16 25.32 3 0 17.60 -999 ? MG MG A 701 >SER^A 203 43.49 11.38 18.30 41.75 13.09 18.25 42.62 12.24 18.27 2 0 17.87 -999 ? MG MG A 701 >ASP^A 204 46.66 14.50 16.29 48.64 15.26 16.44 47.65 14.88 16.36 2 0 11.04 -999 ? MG MG A 701 >SER^A 205 43.31 16.55 18.94 41.96 16.69 16.90 42.63 16.62 17.92 2 0 17.71 -999 ? MG MG A 701 >GLY^A 206 43.57 14.81 22.35 42.93 14.68 21.91 43.25 14.75 22.13 1 0 16.47 -999 ? MG MG A 701 >THR^A 207 40.14 13.16 22.44 38.90 14.34 21.14 39.52 13.75 21.79 2 0 20.84 -999 ? MG MG A 701 >GLN^A 208 38.03 9.30 25.53 37.47 11.24 26.28 37.75 10.27 25.91 2 0 23.76 -999 ? MG MG A 701 >LEU^A 209 40.22 7.06 19.67 40.35 8.55 18.09 40.28 7.80 18.88 3 0 20.53 -999 ? MG MG A 701 >TYR^A 210 40.71 1.41 22.02 41.01 -1.29 22.72 40.86 0.06 22.37 3 0 24.22 -999 ? MG MG A 701 >SER^A 211 40.68 2.47 26.17 40.12 4.63 27.15 40.40 3.55 26.66 2 0 23.70 -999 ? MG MG A 701 >TYR^A 212 42.33 -3.24 27.23 42.37 -5.91 28.07 42.35 -4.58 27.65 3 0 27.64 -999 ? MG MG A 701 >THR^A 213 42.05 -1.77 31.39 41.32 -0.66 33.13 41.69 -1.22 32.26 2 0 28.20 -999 ? MG MG A 701 >SER^A 214 43.73 -5.14 31.97 45.80 -4.99 33.21 44.77 -5.06 32.59 2 0 28.43 -999 ? MG MG A 701 >THR^A 215 42.29 -7.96 34.08 40.62 -9.29 33.75 41.46 -8.63 33.92 2 0 34.41 -999 ? MG MG A 701 >ALA^A 216 45.63 -9.62 34.88 46.10 -10.88 34.16 45.86 -10.25 34.52 2 0 30.82 -999 ? MG MG C 701 >ALA^A 217 49.03 -8.09 35.69 49.96 -8.59 36.79 49.49 -8.34 36.24 2 0 25.87 -999 ? MG MG C 701 >MET?A 218 51.17 -6.82 32.79 53.53 -3.35 33.51 52.35 -5.08 33.15 2 0 21.30 -999 ? MG MG C 701 >PHE^A 219 55.92 -9.29 29.69 58.67 -9.65 29.26 57.29 -9.47 29.48 3 0 23.69 -999 ? MG MG C 701 >ARG^A 220 57.63 -6.32 37.13 57.36 -3.26 37.26 57.49 -4.79 37.20 2 0 16.88 -999 ? MG MG C 701 >ALA^A 221 60.74 -8.71 33.44 61.31 -9.50 32.24 61.02 -9.11 32.84 2 0 20.19 -999 ? MG MG C 701 >ASP^A 222 62.82 -6.71 37.30 60.97 -5.83 37.83 61.89 -6.27 37.56 2 0 15.64 -999 ? MG MG C 701 >ASN^A 223 66.64 -8.83 33.75 65.35 -10.18 32.70 65.99 -9.51 33.23 2 0 18.88 -999 ? MG MG C 701 >ALA^A 224 67.62 -6.42 30.25 69.11 -6.21 30.03 68.36 -6.32 30.14 2 0 16.54 -999 ? MG MG C 701 >THR^A 225 65.50 -9.01 28.34 65.29 -10.87 29.50 65.40 -9.94 28.92 2 0 21.13 -999 ? MG MG C 701 >ALA^A 226 62.61 -6.54 28.44 61.46 -6.95 29.38 62.03 -6.75 28.91 2 0 19.93 -999 ? MG MG C 701 >HIS^A 227 64.01 -1.56 27.47 65.98 -1.04 27.99 65.00 -1.30 27.73 3 0 16.62 -999 ? MG MG C 701 >ILE^A 228 58.25 -0.37 30.16 57.56 0.16 31.17 57.91 -0.11 30.66 3 0 18.07 -999 ? MG MG C 701 >GLY^A 229 58.06 2.15 26.22 57.72 1.43 25.95 57.89 1.79 26.09 1 0 15.13 -999 ? MG MG A 701 >PHE^A 230 57.51 3.45 20.28 57.22 3.38 17.50 57.36 3.42 18.89 3 0 11.74 -999 ? MG MG A 701 >LYS^A 231 58.60 -0.72 20.14 60.72 -6.66 20.51 59.66 -3.69 20.32 2 0 21.74 -999 ? MG MG A 701 >THR^A 232 57.84 -1.09 16.44 57.73 0.33 14.77 57.79 -0.38 15.60 2 0 15.12 -999 ? MG MG A 701 >GLN^A 233 59.64 -6.62 15.50 59.73 -7.91 17.20 59.69 -7.26 16.35 2 0 22.87 -999 ? MG MG A 701 >CYH^A 234 58.69 -6.06 11.30 58.78 -6.33 8.50 58.74 -6.20 9.90 2 0 23.41 -999 ? MG MG A 701 >LYS^A 235 57.82 -9.74 11.76 54.50 -11.24 15.64 56.16 -10.49 13.70 2 0 26.78 -999 ? MG MG A 701 >THR^A 236 59.03 -10.49 8.24 58.03 -10.24 6.33 58.53 -10.37 7.28 2 0 27.90 -999 ? MG MG A 701 >ALA^A 237 62.35 -10.48 6.32 63.13 -11.77 6.08 62.74 -11.13 6.20 2 0 29.57 -999 ? MG MG A 701 >THR^A 238 61.01 -8.09 3.65 59.32 -8.49 2.35 60.16 -8.29 3.00 2 0 28.33 -999 ? MG MG A 701 >ALA^A 239 62.65 -4.67 3.46 64.09 -4.45 3.00 63.37 -4.56 3.23 2 0 25.09 -999 ? MG MG A 701 >GLY^A 240 60.81 -1.46 2.53 60.56 -1.82 3.19 60.69 -1.64 2.86 1 0 22.76 -999 ? MG MG A 701 >ILE^A 241 57.39 -3.19 5.55 56.64 -4.34 5.68 57.02 -3.77 5.61 3 0 22.72 -999 ? MG MG A 701 >SER^A 242 57.19 1.38 6.77 57.28 3.31 5.28 57.24 2.34 6.02 2 0 17.58 -999 ? MG MG A 701 >LEU^A 243 57.68 0.22 11.37 58.55 -1.80 11.06 58.12 -0.79 11.22 3 0 17.29 -999 ? MG MG A 701 >ILE^A 244 54.50 2.91 14.32 52.97 3.20 14.62 53.74 3.06 14.47 3 0 13.75 -999 ? MG MG A 701 >SER^A 245 57.04 6.76 13.21 57.09 7.45 10.86 57.07 7.10 12.03 2 0 10.81 -999 ? MG MG A 701 >ILE^A 246 58.40 7.50 17.63 59.19 7.17 18.74 58.79 7.33 18.19 3 0 7.64 -999 ? MG MG A 701 >ASP^A 247 56.29 12.88 17.29 56.35 14.91 17.89 56.32 13.90 17.59 2 0 -3.20 -999 ? MG MG A 701s >LEU^A 248 57.08 13.41 21.62 57.24 14.73 23.36 57.16 14.07 22.49 3 0 4.92 -999 ? MG MG A 701 >ILE^A 249 58.70 8.42 24.11 59.37 7.25 24.51 59.04 7.83 24.31 3 0 9.34 -999 ? MG MG A 701 >GLU^A 250 56.08 12.58 29.10 55.06 14.37 28.58 55.57 13.48 28.84 2 0 11.25 -999 ? MG MG A 701 >PHE^A 251 59.59 6.93 30.19 59.95 5.02 28.15 59.77 5.97 29.17 3 0 14.12 -999 ? MG MG A 701 >LYS^A 252 56.51 9.98 34.38 53.46 14.83 32.81 54.98 12.41 33.60 2 0 15.76 -999 ? MG MG A 701 >ALA^A 253 56.79 8.05 37.68 57.66 6.81 37.43 57.22 7.43 37.56 2 0 14.23 -999 ? MG MG C 701 >LYS^A 254 56.72 8.19 41.49 50.69 8.99 43.26 53.71 8.59 42.37 2 0 20.86 -999 ? MG MG C 701 >VAL^A 255 59.99 7.35 43.24 61.84 7.39 42.02 60.91 7.37 42.63 3 0 10.50 -999 ? MG MG C 701 >SER^A 256 61.08 6.85 46.86 60.77 4.52 47.50 60.92 5.69 47.18 2 0 11.98 -999 ? MG MG C 701 >ALA^A 257 64.73 7.96 46.63 65.11 8.19 45.18 64.92 8.07 45.91 2 0 7.56 -999 ? MG MG C 701 >THR^A 258 65.77 9.76 49.82 64.32 10.62 51.18 65.04 10.19 50.50 2 0 12.86 -999 ? MG MG C 701 >ARG^A 259 69.64 8.04 47.46 69.22 8.19 44.42 69.43 8.12 45.94 2 0 4.41 -999 ? MG MG C 701 >ALA^A 260 71.53 11.21 53.25 72.39 10.47 54.25 71.96 10.84 53.75 2 0 13.66 -999 ? MG MG C 701 >LYS^A 261 73.10 14.51 52.28 69.00 15.50 49.26 71.05 15.01 50.77 2 0 12.85 -999 ? MG MG C 701 >VAL^A 262 76.75 14.96 53.27 77.55 12.94 52.77 77.15 13.95 53.02 3 0 15.44 -999 ? MG MG C 701 >THR^B 24 62.05 23.09 53.04 62.22 23.03 55.23 62.14 23.06 54.13 2 0 24.00 -999 ? MG MG C 701 >THR^B 25 59.96 26.29 52.58 60.39 27.19 54.52 60.17 26.74 53.55 2 0 27.52 -999 ? MG MG C 701 >PRO^B 26 56.44 27.72 50.51 58.64 27.67 50.06 57.54 27.70 50.28 3 0 27.53 -999 ? MG MG C 701 >GLY^B 27 60.06 31.40 48.41 60.06 30.94 47.75 60.06 31.17 48.08 1 0 29.08 -999 ? MG MG C 701 >LEU^B 28 62.37 34.95 46.12 61.01 36.63 46.54 61.69 35.79 46.33 3 0 31.75 -999 ? MG MG B 701 >MET?B 29 64.03 32.30 42.97 63.75 31.67 38.83 63.89 31.99 40.90 2 0 24.71 -999 ? MG MG B 701 >SER^B 30 67.66 33.50 43.08 69.29 31.67 43.19 68.47 32.59 43.13 2 0 23.19 -999 ? MG MG B 701 >PRO^B 31 69.72 37.03 41.50 69.16 35.00 40.75 69.44 36.01 41.13 3 0 23.38 -999 ? MG MG B 701 >SER^B 32 71.75 32.04 40.09 73.19 30.32 41.07 72.47 31.18 40.58 2 0 18.85 -999 ? MG MG B 701 >GLU^B 33 68.20 28.76 42.08 66.93 28.98 43.77 67.57 28.87 42.92 2 0 24.06 -999 ? MG MG C 701 >LYS^B 34 67.19 31.90 37.03 63.23 35.58 34.76 65.21 33.74 35.90 2 0 24.85 -999 ? MG MG B 701 >LEU^B 35 71.82 32.37 35.58 73.88 32.35 34.77 72.85 32.36 35.18 3 0 15.96 -999 ? MG MG B 701 >LYS^B 36 70.75 28.00 35.20 72.18 24.81 40.16 71.47 26.40 37.68 2 0 18.03 -999 ? MG MG B 701 >LEU^B 37 65.96 27.91 34.79 64.19 26.66 35.05 65.07 27.28 34.92 3 0 20.97 -999 ? MG MG B 701 >SER^B 38 67.75 30.00 31.08 69.73 31.40 31.32 68.74 30.70 31.20 2 0 16.51 -999 ? MG MG B 701 >THR^B 39 70.37 27.71 29.56 72.15 28.67 30.29 71.26 28.19 29.92 2 0 13.13 -999 ? MG MG B 701 >LEU^B 40 67.27 24.26 31.00 66.36 22.40 31.68 66.81 23.33 31.34 3 0 17.16 -999 ? MG MG A 701 >THR^B 41 68.84 22.03 27.16 70.46 20.74 26.50 69.65 21.39 26.83 2 0 14.46 -999 ? MG MG B 701 >THR^B 42 65.42 21.50 25.53 64.36 22.69 24.07 64.89 22.10 24.80 2 0 10.83 -999 ? MG MG A 701 >SER^B 43 63.88 18.06 26.00 62.91 18.15 28.24 63.40 18.10 27.12 2 0 11.01 -999 ? MG MG A 701 >ILE^B 44 59.07 17.54 26.06 57.87 17.50 26.85 58.47 17.52 26.45 3 0 8.65 -999 ? MG MG A 701 >ALA^B 45 59.69 21.30 23.03 60.25 21.41 21.62 59.97 21.35 22.32 2 0 7.33 -999 ? MG MG A 701 >THR^B 46 56.83 23.81 23.10 55.50 24.18 24.77 56.16 24.00 23.94 2 0 12.00 -999 ? MG MG A 701 >SER^B 47 57.85 27.14 21.48 57.48 28.85 23.18 57.66 27.99 22.33 2 0 14.90 -999 ? MG MG A 701 >ASP^B 48 61.92 28.21 23.39 60.90 30.08 23.44 61.41 29.15 23.41 2 0 16.06 -999 ? MG MG A 701 >PHE^B 49 66.13 23.70 20.18 68.13 21.75 20.29 67.13 22.73 20.23 3 0 11.06 -999 ? MG MG A 701 >TYR^B 50 69.49 27.08 25.02 72.07 28.02 25.65 70.78 27.55 25.33 3 0 13.79 -999 ? MG MG B 701 >ALA^B 51 71.24 23.57 23.33 71.18 22.46 22.29 71.21 23.02 22.81 2 0 14.06 -999 ? MG MG B 701 >SER^B 52 74.85 24.22 24.30 74.62 24.82 26.62 74.74 24.52 25.46 2 0 9.64 -999 ? MG MG B 701 >TYR^B 53 79.11 19.97 24.41 81.07 18.23 25.43 80.09 19.10 24.92 3 0 7.47 -999 ? MG MG B 701 >ASP^B 54 80.91 23.94 27.97 81.66 25.93 28.28 81.29 24.94 28.12 2 0 -3.14 -999 ? MG MG B 701s >PHE^B 55 83.65 21.29 23.09 82.10 21.24 20.75 82.87 21.27 21.92 3 0 6.29 -999 ? MG MG B 701 >MET?B 56 84.63 19.34 29.05 81.26 19.51 30.00 82.94 19.42 29.52 2 0 7.05 -999 ? MG MG B 701 >MET?B 57 83.86 15.60 28.50 79.73 14.93 27.67 81.79 15.27 28.08 2 0 11.09 -999 ? MG MG B 701 >HIS^B 58 87.19 10.39 28.30 88.68 8.99 27.79 87.93 9.69 28.04 3 0 15.81 -999 ? MG MG B 701 >SER^B 59 86.05 12.54 24.03 88.18 13.20 23.06 87.12 12.87 23.54 2 0 12.99 -999 ? MG MG B 701 >ILE^B 60 87.71 7.87 24.06 88.88 7.01 24.07 88.30 7.44 24.07 3 0 18.24 -999 ? MG MG B 701 >GLY^B 61 83.57 7.40 21.74 83.65 8.15 22.00 83.61 7.77 21.87 1 0 18.34 -999 ? MG MG B 701 >LEU^B 62 82.21 11.76 23.21 81.14 13.26 24.37 81.67 12.51 23.79 3 0 13.12 -999 ? MG MG B 701 >THR^B 63 79.36 11.28 19.34 78.96 9.24 18.75 79.16 10.26 19.04 2 0 18.47 -999 ? MG MG B 701 >SER^B 64 76.78 13.65 20.88 75.03 12.05 21.41 75.90 12.85 21.15 2 0 16.08 -999 ? MG MG A 701 >ALA^B 65 76.05 15.80 23.94 77.36 16.31 24.53 76.71 16.06 24.23 2 0 11.33 -999 ? MG MG B 701 >ASN^B 66 73.62 19.24 25.51 74.73 18.92 27.30 74.17 19.08 26.40 2 0 11.33 -999 ? MG MG B 701 >ASN^B 67 70.24 18.42 21.48 68.62 18.13 22.84 69.43 18.27 22.16 2 0 10.67 -999 ? MG MG A 701 >ILE^B 68 75.32 19.42 20.00 75.72 20.67 20.19 75.52 20.05 20.10 3 0 12.07 -999 ? MG MG B 701 >SER^B 69 76.21 15.81 17.14 74.45 15.50 15.44 75.33 15.65 16.29 2 0 15.20 -999 ? MG MG A 701 >LEU^B 70 80.44 15.51 19.26 80.06 17.02 20.80 80.25 16.27 20.03 3 0 11.75 -999 ? MG MG B 701 >LEU^B 71 80.34 14.16 13.44 78.21 13.64 13.41 79.28 13.90 13.43 3 0 18.07 -999 ? MG MG B 701 >SER^B 72 84.82 12.79 13.84 85.93 12.95 16.02 85.37 12.87 14.93 2 0 16.25 -999 ? MG MG B 701 >THR^B 73 85.75 11.58 10.35 84.26 12.65 9.20 85.00 12.12 9.77 2 0 21.49 -999 ? MG MG B 701 >GLY^B 74 88.87 10.56 8.47 88.78 10.51 9.27 88.82 10.53 8.87 1 0 23.78 -999 ? MG MG B 701 >ASN^B 75 91.79 8.69 11.14 92.27 7.15 12.51 92.03 7.92 11.82 2 0 24.23 -999 ? MG MG B 701 >ILE^B 76 89.69 14.32 12.74 89.75 15.15 12.73 89.72 14.74 12.74 3 0 18.23 -999 ? MG MG B 701 >SER^B 77 93.05 13.70 15.87 95.18 13.55 17.02 94.12 13.63 16.44 2 0 18.60 -999 ? MG MG B 701 >LEU^B 78 89.90 14.55 19.48 87.96 14.89 18.49 88.93 14.72 18.98 3 0 13.73 -999 ? MG MG B 701 >GLN^B 79 95.03 18.01 19.82 96.59 16.70 19.22 95.81 17.36 19.52 2 0 16.68 -999 ? MG MG B 701 >ASN^B 80 94.45 16.24 26.21 95.20 14.27 26.45 94.82 15.25 26.33 2 0 15.33 -999 ? MG MG B 701 >ILE^B 81 89.34 18.00 27.45 88.23 18.52 26.71 88.78 18.26 27.08 3 0 8.13 -999 ? MG MG B 701 >LEU^B 82 93.42 22.01 27.80 93.86 23.38 26.16 93.64 22.69 26.98 3 0 9.66 -999 ? MG MG B 701 >SER^B 83 90.88 24.83 29.81 89.09 24.06 31.24 89.99 24.45 30.53 2 0 6.65 -999 ? MG MG B 701 >GLU^B 84 94.20 29.24 27.42 94.21 30.23 25.55 94.21 29.74 26.49 2 0 11.30 -999 ? MG MG B 701 >GLY^B 85 91.79 31.30 31.15 91.37 30.58 31.02 91.58 30.94 31.08 1 0 10.74 -999 ? MG MG B 701 >ASN^B 86 87.26 32.98 31.19 87.50 33.95 33.05 87.38 33.46 32.12 2 0 11.39 -999 ? MG MG B 701 >HIS^B 87 88.21 30.59 26.30 87.76 32.42 25.36 87.99 31.50 25.83 3 0 7.54 -999 ? MG MG B 701 >PHE^B 88 84.99 25.16 32.11 84.30 22.85 33.54 84.64 24.01 32.82 3 0 -6.14 -999 ? MG MG B 701s >GLY^B 89 86.67 22.92 28.33 86.92 23.69 28.05 86.80 23.31 28.19 1 0 -3.55 -999 ? MG MG B 701s >VAL^B 90 88.45 23.29 25.00 89.67 25.10 24.65 89.06 24.20 24.82 3 0 5.24 -999 ? MG MG B 701 >GLN^B 91 87.79 18.78 20.75 88.79 17.17 21.71 88.29 17.98 21.23 2 0 10.38 -999 ? MG MG B 701 >PRO^B 92 93.04 21.26 22.30 91.49 21.04 20.67 92.26 21.15 21.49 3 0 10.34 -999 ? MG MG B 701 >ILE^B 93 90.68 19.67 16.02 89.33 19.52 15.73 90.00 19.60 15.87 3 0 13.46 -999 ? MG MG B 701 >VAL^B 94 94.86 18.08 14.54 96.89 17.89 15.42 95.88 17.99 14.98 3 0 17.98 -999 ? MG MG B 701 >SER^B 95 94.83 16.70 10.96 96.78 17.48 9.73 95.81 17.09 10.34 2 0 22.45 -999 ? MG MG B 701 >SER^B 96 95.43 13.12 9.84 93.28 12.32 9.09 94.36 12.72 9.46 2 0 23.56 -999 ? MG MG B 701 >THR^B 97 96.69 11.38 6.68 97.86 9.69 7.35 97.28 10.53 7.01 2 0 28.23 -999 ? MG MG B 701 >THR^B 98 93.11 11.47 5.28 91.57 10.02 5.69 92.34 10.75 5.49 2 0 26.88 -999 ? MG MG B 701 >ALA^B 99 92.24 14.43 3.08 92.49 14.56 1.58 92.37 14.49 2.33 2 0 28.49 -999 ? MG MG B 701 >ASN^B 100 88.04 15.78 3.10 88.35 16.91 1.32 88.19 16.34 2.21 2 0 27.03 -999 ? MG MG B 701 >ALA^B 101 89.22 14.68 7.79 90.52 14.19 8.44 89.87 14.44 8.11 2 0 22.19 -999 ? MG MG B 701 >SER^B 102 87.03 16.82 10.00 84.85 16.45 8.97 85.94 16.64 9.48 2 0 19.76 -999 ? MG MG B 701 >PHE^B 103 85.46 17.78 15.85 83.90 17.67 18.18 84.68 17.72 17.02 3 0 12.19 -999 ? MG MG B 701 >LEU^B 104 81.07 18.26 12.18 79.10 18.69 11.35 80.08 18.48 11.76 3 0 16.90 -999 ? MG MG B 701 >ALA^B 105 79.74 20.01 16.28 80.35 20.78 17.43 80.04 20.40 16.85 2 0 10.98 -999 ? MG MG B 701 >GLY^B 106 76.25 20.63 14.93 76.19 19.94 15.33 76.22 20.29 15.13 1 0 14.96 -999 ? MG MG B 701 >MET?B 107 72.63 19.69 14.42 70.82 21.10 17.98 71.73 20.40 16.20 2 0 12.88 -999 ? MG MG A 701 >LEU^B 108 69.36 17.42 11.65 69.73 15.28 11.46 69.54 16.35 11.56 3 0 12.14 -999 ? MG MG A 701 >MET?B 109 68.88 21.44 9.46 71.63 22.78 6.55 70.26 22.11 8.01 2 0 18.58 -999 ? MG MG A 701 >ALA^B 110 65.41 19.84 9.16 65.11 18.37 8.94 65.26 19.11 9.05 2 0 11.40 -999 ? MG MG A 701 >ILE^B 111 65.20 19.95 14.00 65.76 19.73 14.83 65.48 19.84 14.42 3 0 8.62 -999 ? MG MG A 701 >PHE^B 112 67.44 24.55 13.84 68.29 23.63 16.36 67.86 24.09 15.10 3 0 12.78 -999 ? MG MG A 701 >PRO^B 113 61.56 25.01 10.52 63.65 25.25 9.75 62.60 25.13 10.14 3 0 13.40 -999 ? MG MG A 701 >LYS^B 114 63.81 29.20 8.01 59.89 29.22 4.08 61.85 29.21 6.05 2 0 20.14 -999 ? MG MG A 701 >GLU^B 115 58.75 29.85 9.05 59.41 28.67 7.41 59.08 29.26 8.23 2 0 17.50 -999 ? MG MG A 701 >SER^B 116 62.87 29.09 13.45 64.83 27.79 12.94 63.85 28.44 13.19 2 0 14.89 -999 ? MG MG A 701 >GLU^B 117 63.64 33.71 12.53 62.85 35.56 13.12 63.25 34.63 12.82 2 0 21.51 -999 ? MG MG A 701 >LEU^B 118 68.68 28.48 13.84 70.15 27.03 14.58 69.42 27.75 14.21 3 0 16.69 -999 ? MG MG A 701 >GLU^B 119 71.77 33.78 17.25 71.02 35.38 18.46 71.40 34.58 17.85 2 0 18.76 -999 ? MG MG B 701 >VAL^B 120 74.38 29.68 16.51 74.85 27.83 15.39 74.61 28.75 15.95 3 0 14.98 -999 ? MG MG B 701 >THR^B 121 77.18 31.07 18.66 76.77 32.68 20.04 76.98 31.88 19.35 2 0 12.66 -999 ? MG MG B 701 >VAL^B 122 80.69 29.59 18.56 81.11 28.02 17.05 80.90 28.81 17.81 3 0 10.30 -999 ? MG MG B 701 >TYR^B 123 82.54 31.37 22.80 80.58 33.12 23.80 81.56 32.24 23.30 3 0 8.46 -999 ? MG MG B 701 >PHE^B 124 86.32 30.07 16.60 86.05 32.26 14.86 86.19 31.16 15.73 3 0 12.79 -999 ? MG MG B 701 >LYS^B 125 90.66 29.64 18.86 95.58 29.63 22.93 93.12 29.63 20.89 2 0 12.82 -999 ? MG MG B 701 >THR^B 126 92.83 29.90 15.78 92.84 31.98 15.18 92.84 30.94 15.48 2 0 16.02 -999 ? MG MG B 701 >PRO^B 127 95.38 27.41 13.28 95.30 27.98 15.46 95.34 27.70 14.37 3 0 16.85 -999 ? MG MG B 701 >SER^B 128 99.53 28.82 16.25 100.92 26.85 16.60 100.22 27.84 16.43 2 0 19.60 -999 ? MG MG B 701 >ALA^B 129 100.21 28.66 12.50 101.43 27.83 12.12 100.82 28.24 12.31 2 0 22.75 -999 ? MG MG B 701 >PHE^B 130 96.46 31.27 10.02 94.95 32.80 11.81 95.70 32.03 10.91 3 0 20.78 -999 ? MG MG B 701 >ASN^B 131 98.17 25.32 7.28 98.99 23.86 5.95 98.58 24.59 6.61 2 0 25.53 -999 ? MG MG B 701 >PRO^B 132 98.42 26.46 2.32 96.71 26.79 3.76 97.57 26.63 3.04 3 0 27.25 -999 ? MG MG B 701 >ALA^B 133 94.78 23.32 3.99 95.65 22.10 4.28 95.22 22.71 4.13 2 0 25.38 -999 ? MG MG B 701 >GLN^B 134 94.42 24.95 8.87 95.62 26.44 9.84 95.02 25.69 9.35 2 0 20.44 -999 ? MG MG B 701 >LEU^B 135 88.46 24.23 5.01 86.74 24.85 3.78 87.60 24.54 4.39 3 0 22.63 -999 ? MG MG B 701 >THR^B 136 86.55 25.96 9.00 87.35 26.22 11.00 86.95 26.09 10.00 2 0 16.12 -999 ? MG MG B 701 >VAL^B 137 82.81 26.73 8.76 81.71 25.94 7.00 82.26 26.34 7.88 3 0 19.04 -999 ? MG MG B 701 >ILE^B 138 80.70 29.34 12.27 81.20 29.76 13.26 80.95 29.55 12.76 3 0 15.10 -999 ? MG MG B 701 >GLY^B 139 76.99 27.72 9.59 77.45 27.00 9.72 77.22 27.36 9.66 1 0 18.85 -999 ? MG MG B 701 >SER^B 140 75.68 25.04 7.26 74.73 26.06 5.27 75.20 25.55 6.26 2 0 22.88 -999 ? MG MG A 701 >THR^B 141 77.94 22.40 5.68 79.67 21.76 6.89 78.80 22.08 6.29 2 0 20.67 -999 ? MG MG B 701 >SER^B 142 78.39 19.02 4.06 78.99 19.43 1.74 78.69 19.23 2.90 2 0 25.92 -999 ? MG MG A 701 >ILE^B 143 77.72 15.39 7.17 77.17 14.21 7.74 77.44 14.80 7.46 3 0 20.93 -999 ? MG MG A 701 >GLY^B 144 82.13 14.55 7.43 82.08 15.17 6.98 82.10 14.86 7.20 1 0 22.10 -999 ? MG MG B 701 >LEU^B 145 85.08 12.88 3.98 86.49 11.52 5.02 85.78 12.20 4.50 3 0 25.74 -999 ? MG MG B 701 >GLY^B 146 82.22 16.25 2.30 82.78 16.53 2.82 82.50 16.39 2.56 1 0 26.08 -999 ? MG MG B 701 >ILE^B 147 85.07 19.48 0.81 86.38 19.79 0.33 85.72 19.63 0.57 3 0 26.79 -999 ? MG MG B 701 >SER^B 148 80.89 20.34 -1.74 79.01 18.77 -1.56 79.95 19.56 -1.65 2 0 28.06 -999 ? MG MG A 701 >ASP^B 149 77.18 22.10 0.20 76.62 21.31 -1.68 76.90 21.70 -0.74 2 0 27.03 -999 ? MG MG A 701 >ARG^B 150 82.74 25.62 2.92 84.18 24.35 0.50 83.46 24.98 1.71 2 0 26.29 -999 ? MG MG B 701 >SER^B 151 77.53 28.66 4.01 75.10 28.49 4.14 76.31 28.57 4.07 2 0 24.66 -999 ? MG MG B 701 >GLY^B 152 78.12 31.08 6.85 78.73 31.12 6.24 78.42 31.10 6.54 1 0 21.72 -999 ? MG MG B 701 >LEU^B 153 81.74 32.84 9.57 83.16 34.44 10.08 82.45 33.64 9.82 3 0 19.10 -999 ? MG MG B 701 >ILE^B 154 83.98 30.16 4.74 83.56 29.55 3.60 83.77 29.85 4.17 3 0 23.12 -999 ? MG MG B 701 >ILE^B 155 88.10 30.33 8.93 88.37 30.85 10.21 88.23 30.59 9.57 3 0 18.52 -999 ? MG MG B 701 >GLU^B 156 89.03 28.56 2.80 88.41 28.97 0.81 88.72 28.76 1.80 2 0 26.59 -999 ? MG MG B 701 >ASN^B 157 94.70 30.21 4.65 96.84 30.10 4.68 95.77 30.16 4.66 2 0 25.93 -999 ? MG MG B 701 >GLY^B 158 94.19 32.92 7.87 93.73 32.90 7.25 93.96 32.91 7.56 1 0 22.77 -999 ? MG MG B 701 >ASN^B 159 91.23 34.79 4.72 92.86 36.03 4.12 92.05 35.41 4.42 2 0 26.62 -999 ? MG MG B 701 >ALA^B 160 87.58 34.67 7.55 87.18 35.09 8.97 87.38 34.88 8.26 2 0 20.67 -999 ? MG MG B 701 >PHE^B 161 85.53 34.26 3.16 86.05 31.72 2.08 85.79 32.99 2.62 3 0 25.48 -999 ? MG MG B 701 >GLY^B 162 80.98 35.31 4.83 81.63 35.32 4.23 81.31 35.31 4.53 1 0 24.46 -999 ? MG MG B 701 >GLY^B 163 80.14 33.15 1.84 79.76 32.80 2.45 79.95 32.98 2.15 1 0 26.55 -999 ? MG MG B 701 >ILE^B 164 76.84 30.74 -0.42 75.41 30.87 -0.37 76.13 30.81 -0.39 3 0 28.95 -999 ? MG MG B 701 >VAL^B 165 79.64 27.34 -1.73 81.73 26.63 -1.57 80.68 26.98 -1.65 3 0 28.72 -999 ? MG MG B 701 >LYS^B 166 77.31 24.93 -3.53 71.71 27.29 -1.99 74.51 26.11 -2.76 2 0 26.67 -999 ? MG MG A 701 >ALA^B 167 78.13 21.83 -5.60 77.23 21.86 -6.83 77.68 21.85 -6.22 2 0 31.48 -999 ? MG MG A 701 >SER^B 168 81.88 22.50 -5.08 82.22 20.07 -5.06 82.05 21.28 -5.07 2 0 32.28 -999 ? MG MG B 701 >ALA^B 169 81.75 26.06 -6.39 81.28 26.14 -7.85 81.51 26.10 -7.12 2 0 34.77 -999 ? MG MG B 701 >ALA^B 170 81.53 29.45 -4.70 82.66 30.44 -4.62 82.09 29.94 -4.66 2 0 31.90 -999 ? MG MG B 701 >THR^B 171 78.23 31.13 -5.52 76.79 29.78 -4.59 77.51 30.45 -5.05 2 0 32.26 -999 ? MG MG A 701 >GLU^B 172 77.08 35.66 -2.13 75.24 35.63 -1.10 76.16 35.64 -1.61 2 0 31.16 -999 ? MG MG B 701 >THR^B 173 81.83 35.45 -1.43 83.62 34.29 -1.96 82.73 34.87 -1.69 2 0 30.20 -999 ? MG MG B 701 >GLY^B 174 82.20 38.33 1.03 82.82 37.88 0.73 82.51 38.10 0.88 1 0 29.06 -999 ? MG MG B 701 >SER^B 175 85.34 40.37 1.64 84.94 42.22 3.13 85.14 41.29 2.38 2 0 29.25 -999 ? MG MG B 701 >THR^B 176 88.07 38.62 3.64 89.51 37.87 2.20 88.79 38.25 2.92 2 0 28.22 -999 ? MG MG B 701 >TYR^B 177 88.49 40.39 9.48 89.33 41.69 11.81 88.91 41.04 10.64 3 0 23.21 -999 ? MG MG B 701 >ALA^B 178 92.70 38.53 8.22 93.96 39.28 7.79 93.33 38.91 8.00 2 0 25.65 -999 ? MG MG B 701 >LEU^B 179 92.07 35.27 11.73 89.95 34.80 11.68 91.01 35.03 11.71 3 0 19.31 -999 ? MG MG B 701 >SER^B 180 95.58 36.45 14.06 95.72 38.78 14.71 95.65 37.61 14.39 2 0 21.59 -999 ? MG MG B 701 >THR^B 181 97.16 33.17 15.17 99.18 33.11 14.42 98.17 33.14 14.80 2 0 20.99 -999 ? MG MG B 701 >SER^B 182 96.57 31.77 18.68 98.80 30.86 18.69 97.68 31.32 18.68 2 0 17.63 -999 ? MG MG B 701 >THR^B 183 93.60 34.09 19.23 93.88 36.13 18.47 93.74 35.11 18.85 2 0 16.89 -999 ? MG MG B 701 >TRP^B 184 91.52 32.21 23.58 89.41 28.91 23.08 90.46 30.56 23.33 3 0 9.01 -999 ? MG MG B 701 >TYR^B 185 88.59 35.29 16.55 90.87 36.58 15.57 89.73 35.93 16.06 3 0 16.24 -999 ? MG MG B 701 >ILE^B 186 82.66 35.31 19.86 82.15 35.55 21.18 82.41 35.43 20.52 3 0 12.29 -999 ? MG MG B 701 >CYH^B 187 81.05 34.08 15.75 80.46 33.24 13.06 80.75 33.66 14.41 2 0 16.43 -999 ? MG MG B 701 >LYS^B 188 77.29 34.42 15.70 73.78 38.83 17.91 75.54 36.62 16.80 2 0 19.48 -999 ? MG MG B 701 >PHE^B 189 74.96 31.02 11.07 73.59 30.19 8.76 74.27 30.61 9.91 3 0 20.38 -999 ? MG MG B 701 >LYS^B 190 71.84 34.17 12.36 67.48 35.01 15.71 69.66 34.59 14.03 2 0 21.74 -999 ? MG MG A 701 >MET?B 191 69.23 32.45 10.14 67.09 28.79 9.93 68.16 30.62 10.04 2 0 17.85 -999 ? MG MG A 701 >LEU^B 192 67.37 36.03 7.52 68.95 37.51 7.99 68.16 36.77 7.76 3 0 25.72 -999 ? MG MG A 701 >THR^B 193 63.20 34.22 7.63 62.00 35.78 8.53 62.60 35.00 8.08 2 0 23.14 -999 ? MG MG A 701 >ASP^B 194 63.90 35.11 2.96 65.54 36.41 3.38 64.72 35.76 3.17 2 0 26.81 -999 ? MG MG A 701 >ASP^B 195 66.36 30.17 3.81 66.88 28.39 4.83 66.62 29.28 4.32 2 0 20.38 -999 ? MG MG A 701 >ARG^B 196 68.70 37.14 1.72 68.51 39.52 3.67 68.60 38.33 2.70 2 0 29.97 -999 ? MG MG A 701 >PHE^B 197 74.07 33.23 6.09 76.25 33.16 4.33 75.16 33.20 5.21 3 0 24.80 -999 ? MG MG B 701 >LYS^B 198 74.01 37.09 8.77 74.34 42.59 11.97 74.17 39.84 10.37 2 0 25.04 -999 ? MG MG B 701 >VAL^B 199 77.35 36.15 10.33 78.30 34.66 9.00 77.82 35.40 9.66 3 0 21.03 -999 ? MG MG B 701 >THR^B 200 79.22 38.38 12.75 78.13 40.02 13.66 78.68 39.20 13.20 2 0 20.85 -999 ? MG MG B 701 >LEU^B 201 83.91 37.76 12.94 85.88 36.85 13.24 84.90 37.31 13.09 3 0 18.41 -999 ? MG MG B 701 >TYR^B 202 81.35 39.30 18.10 78.66 39.69 17.47 80.01 39.49 17.78 3 0 17.57 -999 ? MG MG B 701 >SER^B 203 86.93 39.60 19.45 86.85 41.61 20.83 86.89 40.60 20.14 2 0 17.82 -999 ? MG MG B 701 >ASP^B 204 88.34 36.84 23.22 87.85 35.19 24.48 88.10 36.01 23.85 2 0 11.04 -999 ? MG MG B 701 >SER^B 205 85.94 40.67 24.52 87.14 42.60 23.65 86.54 41.64 24.08 2 0 18.10 -999 ? MG MG B 701 >GLY^B 206 82.93 40.92 22.19 83.53 41.40 22.01 83.23 41.16 22.10 1 0 16.60 -999 ? MG MG B 701 >THR^B 207 83.93 43.82 19.93 85.35 45.45 20.17 84.64 44.63 20.05 2 0 21.51 -999 ? MG MG B 701 >GLN^B 208 80.85 43.58 14.50 78.92 44.15 13.82 79.89 43.87 14.16 2 0 23.71 -999 ? MG MG B 701 >LEU^B 209 86.25 41.84 14.15 87.61 41.67 15.83 86.93 41.75 14.99 3 0 20.65 -999 ? MG MG B 701 >TYR^B 210 83.98 40.19 8.77 83.38 39.24 6.18 83.68 39.71 7.48 3 0 24.27 -999 ? MG MG B 701 >SER^B 211 79.91 40.98 9.48 78.44 42.90 9.29 79.18 41.94 9.38 2 0 25.68 -999 ? MG MG B 701 >TYR^B 212 78.86 38.19 4.22 78.10 37.69 1.56 78.48 37.94 2.89 3 0 27.76 -999 ? MG MG B 701 >THR^B 213 74.76 39.37 5.26 73.22 40.63 6.12 73.99 40.00 5.69 2 0 28.15 -999 ? MG MG B 701 >SER^B 214 74.08 36.99 2.37 72.46 35.21 2.91 73.27 36.10 2.64 2 0 28.50 -999 ? MG MG B 701 >THR^B 215 72.24 37.99 -0.81 72.80 39.29 -2.46 72.52 38.64 -1.63 2 0 34.50 -999 ? MG MG B 701 >ALA^B 216 71.21 34.43 -1.67 71.99 33.57 -2.63 71.60 34.00 -2.15 2 0 30.65 -999 ? MG MG A 701 >ALA^B 217 69.66 31.74 0.53 68.49 30.85 0.09 69.08 31.29 0.31 2 0 25.76 -999 ? MG MG A 701 >MET?B 218 72.03 29.58 2.61 70.79 28.28 6.48 71.41 28.93 4.54 2 0 21.07 -999 ? MG MG A 701 >PHE^B 219 74.47 23.97 1.79 74.40 21.18 2.00 74.43 22.57 1.90 3 0 23.42 -999 ? MG MG A 701 >ARG^B 220 66.60 24.27 4.22 66.59 25.22 7.15 66.59 24.75 5.69 2 0 16.71 -999 ? MG MG A 701 >ALA^B 221 69.95 20.05 2.95 71.09 19.17 2.47 70.52 19.61 2.71 2 0 20.02 -999 ? MG MG A 701 >ASP^B 222 65.82 19.18 5.25 65.65 21.28 5.61 65.74 20.23 5.43 2 0 15.42 -999 ? MG MG A 701 >ASN^B 223 68.73 14.48 4.26 69.96 15.37 2.74 69.35 14.92 3.50 2 0 18.71 -999 ? MG MG A 701 >ALA^B 224 71.93 13.58 7.17 71.92 12.16 7.76 71.93 12.87 7.47 2 0 16.48 -999 ? MG MG A 701 >THR^B 225 74.30 14.67 4.35 73.31 14.51 2.41 73.81 14.59 3.38 2 0 21.01 -999 ? MG MG A 701 >ALA^B 226 74.48 18.06 6.05 73.85 19.15 5.20 74.16 18.61 5.63 2 0 19.84 -999 ? MG MG A 701 >HIS^B 227 75.02 17.92 11.23 74.17 16.25 12.17 74.59 17.08 11.70 3 0 16.57 -999 ? MG MG A 701 >ILE^B 228 73.28 24.07 10.70 72.35 25.02 10.91 72.81 24.55 10.80 3 0 18.01 -999 ? MG MG A 701 >GLY^B 229 77.04 24.39 13.52 77.36 24.51 12.76 77.20 24.45 13.14 1 0 15.11 -999 ? MG MG B 701 >PHE^B 230 83.02 24.51 14.98 85.82 24.48 15.10 84.42 24.49 15.04 3 0 11.75 -999 ? MG MG B 701 >LYS^B 231 83.10 22.22 11.30 82.61 18.65 6.08 82.85 20.43 8.69 2 0 21.71 -999 ? MG MG B 701 >THR^B 232 86.89 22.31 11.06 88.51 22.61 12.52 87.70 22.46 11.79 2 0 15.06 -999 ? MG MG B 701 >GLN^B 233 87.72 19.29 6.09 86.00 19.16 4.84 86.86 19.23 5.47 2 0 22.76 -999 ? MG MG B 701 >CYH^B 234 91.96 19.65 6.67 94.71 19.08 6.61 93.34 19.37 6.64 2 0 23.47 -999 ? MG MG B 701 >LYS^B 235 91.80 19.62 2.86 90.99 24.67 -0.16 91.40 22.15 1.35 2 0 27.77 -999 ? MG MG B 701 >THR^B 236 95.05 17.63 2.47 96.43 19.30 2.53 95.74 18.47 2.50 2 0 27.72 -999 ? MG MG B 701 >ALA^B 237 96.36 14.15 3.26 96.45 13.02 2.22 96.41 13.58 2.74 2 0 29.93 -999 ? MG MG B 701 >THR^B 238 99.00 15.43 5.71 100.02 17.27 4.98 99.51 16.35 5.35 2 0 27.99 -999 ? MG MG B 701 >ALA^B 239 98.91 14.81 9.46 99.31 13.48 10.08 99.11 14.14 9.77 2 0 25.26 -999 ? MG MG B 701 >GLY^B 240 99.96 17.22 12.19 99.45 17.52 11.65 99.71 17.37 11.92 1 0 22.80 -999 ? MG MG B 701 >ILE^B 241 97.83 20.63 9.48 97.88 21.16 8.16 97.86 20.90 8.82 3 0 22.89 -999 ? MG MG B 701 >SER^B 242 96.47 22.11 13.79 97.81 22.51 15.77 97.14 22.31 14.78 2 0 17.64 -999 ? MG MG B 701 >LEU^B 243 91.87 21.98 12.57 91.99 20.90 10.65 91.93 21.44 11.61 3 0 17.37 -999 ? MG MG B 701 >ILE^B 244 89.54 26.33 14.19 89.07 27.77 13.94 89.31 27.05 14.06 3 0 13.83 -999 ? MG MG B 701 >SER^B 245 89.92 24.64 18.63 92.19 24.51 19.47 91.06 24.57 19.05 2 0 10.79 -999 ? MG MG B 701 >ILE^B 246 85.23 24.19 19.27 84.04 23.52 19.06 84.64 23.86 19.17 3 0 7.71 -999 ? MG MG B 701 >ASP^B 247 85.79 27.48 24.04 85.15 27.95 26.03 85.47 27.71 25.03 2 0 -3.16 -999 ? MG MG B 701s >LEU^B 248 81.38 27.42 24.40 79.67 28.01 25.60 80.52 27.72 25.00 3 0 4.94 -999 ? MG MG B 701 >ILE^B 249 78.76 25.09 19.85 78.32 24.22 18.88 78.54 24.66 19.37 3 0 9.37 -999 ? MG MG B 701 >GLU^B 250 75.83 29.06 23.36 75.28 30.89 24.31 75.55 29.98 23.83 2 0 11.01 -999 ? MG MG B 701 >PHE^B 251 72.66 24.75 18.23 74.65 23.50 16.69 73.65 24.12 17.46 3 0 14.15 -999 ? MG MG B 701 >LYS^B 252 68.81 29.05 20.07 71.98 33.28 23.66 70.40 31.17 21.86 2 0 15.13 -999 ? MG MG B 701 >ALA^B 253 65.64 29.00 17.95 65.83 27.94 16.87 65.74 28.47 17.41 2 0 14.52 -999 ? MG MG A 701 >LYS^B 254 61.85 29.17 17.83 61.12 34.72 15.77 61.49 31.94 16.80 2 0 20.00 -999 ? MG MG A 701 >VAL^B 255 59.99 25.89 17.29 60.97 24.64 18.86 60.48 25.27 18.08 3 0 10.38 -999 ? MG MG A 701 >SER^B 256 56.48 24.80 16.22 56.12 26.00 14.12 56.30 25.40 15.17 2 0 12.30 -999 ? MG MG A 701 >ALA^B 257 55.85 22.12 18.84 57.13 21.83 19.59 56.49 21.97 19.22 2 0 7.42 -999 ? MG MG A 701 >THR^B 258 52.42 22.94 20.32 51.52 24.83 20.87 51.97 23.89 20.60 2 0 13.00 -999 ? MG MG A 701 >ARG^B 259 53.75 17.44 19.37 56.65 17.73 20.39 55.20 17.59 19.88 2 0 4.54 -999 ? MG MG A 701 >ALA^B 260 47.75 18.11 22.48 46.68 17.24 21.84 47.22 17.68 22.16 2 0 13.53 -999 ? MG MG A 701 >LYS^B 261 48.28 17.31 26.18 51.09 21.81 27.75 49.69 19.56 26.97 2 0 14.44 -999 ? MG MG A 701 >VAL^B 262 47.40 13.91 27.74 46.32 13.49 29.62 46.86 13.70 28.68 3 0 16.44 -999 ? MG MG A 701 >PRO^C 19 51.05 34.96 45.03 51.51 33.35 46.52 51.28 34.16 45.77 3 0 34.56 -999 ? MG MG A 701 >LEU^C 20 52.45 28.32 45.10 53.85 26.80 45.79 53.15 27.56 45.44 3 0 28.82 -999 ? MG MG C 701 >ALA^C 21 53.72 29.83 40.88 55.14 29.74 40.34 54.43 29.78 40.61 2 0 26.94 -999 ? MG MG A 701 >THR^C 22 51.23 28.28 38.44 49.14 28.50 39.05 50.19 28.39 38.75 2 0 26.91 -999 ? MG MG A 701 >THR^C 24 49.36 30.38 33.84 47.27 29.75 33.86 48.32 30.07 33.85 2 0 24.76 -999 ? MG MG A 701 >THR^C 25 50.46 32.85 36.55 49.21 33.51 38.26 49.83 33.18 37.40 2 0 29.17 -999 ? MG MG A 701 >PRO^C 26 53.61 35.79 37.28 53.25 33.64 37.80 53.43 34.72 37.54 3 0 28.29 -999 ? MG MG A 701 >GLY^C 27 54.61 33.13 41.93 55.30 32.93 41.48 54.95 33.03 41.70 1 0 30.25 -999 ? MG MG A 701 >LEU^C 28 57.15 31.84 45.89 55.76 31.95 47.56 56.46 31.89 46.72 3 0 30.74 -999 ? MG MG C 701 >MET?C 29 59.34 28.61 43.84 63.22 27.92 42.40 61.28 28.26 43.12 2 0 23.90 -999 ? MG MG C 701 >SER^C 30 58.60 25.44 45.87 58.05 23.58 44.39 58.32 24.51 45.13 2 0 22.59 -999 ? MG MG C 701 >PRO^C 31 59.80 23.69 49.68 60.63 23.75 47.60 60.22 23.72 48.64 3 0 22.47 -999 ? MG MG C 701 >SER^C 32 60.83 20.55 45.23 59.56 19.14 43.71 60.19 19.84 44.47 2 0 18.12 -999 ? MG MG C 701 >GLU^C 33 59.39 23.58 41.23 57.81 25.02 41.21 58.60 24.30 41.22 2 0 23.75 -999 ? MG MG C 701 >LYS^C 34 64.60 24.37 44.28 67.60 28.08 47.07 66.10 26.22 45.67 2 0 23.60 -999 ? MG MG C 701 >LEU^C 35 65.31 19.75 45.58 66.24 18.14 46.75 65.77 18.94 46.16 3 0 15.27 -999 ? MG MG C 701 >LYS^C 36 65.53 19.96 41.08 60.26 18.51 37.93 62.89 19.24 39.51 2 0 17.47 -999 ? MG MG C 701 >LEU^C 37 66.90 24.48 40.25 66.60 25.76 38.50 66.75 25.12 39.37 3 0 20.34 -999 ? MG MG C 701 >SER^C 38 70.24 22.32 42.60 69.55 20.82 44.41 69.89 21.57 43.50 2 0 15.76 -999 ? MG MG C 701 >THR^C 39 71.06 19.08 40.78 69.83 17.69 41.91 70.45 18.38 41.34 2 0 12.37 -999 ? MG MG C 701 >LEU^C 40 70.23 21.77 36.81 69.74 22.52 34.82 69.98 22.14 35.82 3 0 17.14 -999 ? MG MG B 701 >THR^C 41 73.79 19.26 35.01 74.13 17.34 34.05 73.96 18.30 34.53 2 0 14.46 -999 ? MG MG C 701 >THR^C 42 76.03 22.10 33.79 77.66 23.23 34.67 76.85 22.67 34.23 2 0 10.45 -999 ? MG MG B 701 >SER^C 43 75.81 22.73 30.03 73.75 24.00 29.71 74.78 23.36 29.87 2 0 10.96 -999 ? MG MG B 701 >ILE^C 44 76.65 27.28 28.53 76.13 28.64 28.23 76.39 27.96 28.38 3 0 8.56 -999 ? MG MG B 701 >ALA^C 45 79.39 27.16 32.52 80.67 26.40 32.85 80.03 26.78 32.68 2 0 7.19 -999 ? MG MG B 701 >THR^C 46 79.88 30.53 34.25 78.52 32.23 34.19 79.20 31.38 34.22 2 0 11.84 -999 ? MG MG B 701 >SER^C 47 81.41 29.94 37.71 79.97 31.29 39.10 80.69 30.62 38.41 2 0 14.48 -999 ? MG MG B 701 >ASP^C 48 78.64 26.82 39.86 78.67 28.41 41.27 78.66 27.61 40.56 2 0 15.90 -999 ? MG MG B 701 >PHE^C 49 81.22 21.28 36.41 80.81 18.88 35.04 81.01 20.08 35.73 3 0 10.73 -999 ? MG MG B 701 >TYR^C 50 75.74 19.80 40.07 74.64 17.80 41.69 75.19 18.80 40.88 3 0 14.02 -999 ? MG MG C 701 >ALA^C 51 77.20 16.83 37.25 78.28 16.41 36.25 77.74 16.62 36.75 2 0 14.13 -999 ? MG MG B 701 >SER^C 52 75.56 13.70 38.66 73.34 14.39 39.31 74.45 14.05 38.98 2 0 9.54 -999 ? MG MG C 701 >TYR^C 53 74.62 8.53 35.70 73.29 6.46 34.40 73.96 7.49 35.05 3 0 7.45 -999 ? MG MG C 701 >ASP^C 54 70.64 8.54 39.67 70.01 8.19 41.69 70.33 8.37 40.68 2 0 -3.03 -999 ? MG MG C 701s >PHE^C 55 75.00 4.41 38.21 77.62 5.37 38.00 76.31 4.89 38.10 3 0 6.26 -999 ? MG MG C 701 >MET?C 56 69.07 4.01 36.15 68.76 7.40 35.35 68.91 5.71 35.75 2 0 7.03 -999 ? MG MG C 701 >MET?C 57 69.82 3.74 32.40 71.41 7.33 30.80 70.62 5.54 31.60 2 0 11.01 -999 ? MG MG C 701 >HIS^C 58 69.63 -0.97 28.38 69.95 -2.83 27.47 69.79 -1.90 27.93 3 0 15.59 -999 ? MG MG C 701 >SER^C 59 73.99 0.16 30.45 74.55 -1.36 32.29 74.27 -0.60 31.37 2 0 12.01 -999 ? MG MG C 701 >ILE^C 60 73.87 -2.76 26.46 74.35 -4.24 26.25 74.11 -3.50 26.35 3 0 17.92 -999 ? MG MG C 701 >GLY^C 61 77.03 0.47 25.19 76.70 0.67 25.90 76.87 0.57 25.54 1 0 18.14 -999 ? MG MG C 701 >LEU^C 62 75.59 3.29 28.81 74.49 4.94 29.74 75.04 4.12 29.27 3 0 13.02 -999 ? MG MG C 701 >THR^C 63 79.89 5.24 27.78 80.55 4.94 25.76 80.22 5.09 26.77 2 0 18.44 -999 ? MG MG C 701 >SER^C 64 78.75 8.50 29.37 78.85 9.94 27.41 78.80 9.22 28.39 2 0 16.03 -999 ? MG MG B 701 >ALA^C 65 75.83 10.34 31.00 74.99 9.32 31.80 75.41 9.83 31.40 2 0 11.26 -999 ? MG MG C 701 >ASN^C 66 74.64 13.82 33.63 72.67 13.03 33.44 73.65 13.43 33.53 2 0 11.30 -999 ? MG MG C 701 >ASN^C 67 79.29 16.16 32.26 78.25 17.84 31.45 78.77 17.00 31.86 2 0 10.46 -999 ? MG MG B 701 >ILE^C 68 79.71 11.27 34.65 79.38 11.23 35.91 79.54 11.25 35.28 3 0 12.03 -999 ? MG MG C 701 >SER^C 69 82.51 9.04 31.64 84.47 10.32 30.97 83.49 9.68 31.31 2 0 15.29 -999 ? MG MG B 701 >LEU^C 70 79.74 5.29 32.16 78.25 6.30 33.39 79.00 5.80 32.78 3 0 11.83 -999 ? MG MG C 701 >LEU^C 71 85.50 4.10 31.34 85.92 5.93 30.23 85.71 5.02 30.78 3 0 18.14 -999 ? MG MG C 701 >SER^C 72 84.31 -0.43 31.00 81.97 -0.99 31.27 83.14 -0.71 31.14 2 0 16.27 -999 ? MG MG C 701 >THR^C 73 87.57 -2.29 30.38 89.01 -0.82 31.14 88.29 -1.56 30.76 2 0 21.60 -999 ? MG MG C 701 >GLY^C 74 88.63 -5.96 30.28 87.88 -5.71 30.15 88.26 -5.84 30.21 1 0 23.72 -999 ? MG MG C 701 >ASN^C 75 85.23 -8.55 28.82 86.05 -8.36 26.87 85.64 -8.45 27.85 2 0 25.07 -999 ? MG MG C 701 >ILE^C 76 84.17 -4.89 33.74 84.09 -4.71 34.57 84.13 -4.80 34.16 3 0 18.10 -999 ? MG MG C 701 >SER^C 77 80.51 -7.68 33.74 79.05 -9.57 34.05 79.78 -8.62 33.89 2 0 18.53 -999 ? MG MG C 701 >LEU^C 78 77.75 -3.66 33.55 79.14 -1.97 33.48 78.44 -2.82 33.52 3 0 13.64 -999 ? MG MG C 701 >GLN^C 79 76.20 -8.06 37.79 76.29 -9.90 36.74 76.25 -8.98 37.26 2 0 16.86 -999 ? MG MG C 701 >ASN^C 80 70.14 -6.74 35.72 69.95 -7.95 34.00 70.05 -7.35 34.86 2 0 15.42 -999 ? MG MG C 701 >ILE^C 81 69.83 -1.17 36.12 70.80 -0.13 36.45 70.31 -0.65 36.29 3 0 8.12 -999 ? MG MG C 701 >LEU^C 82 68.64 -3.83 41.04 70.13 -4.16 42.59 69.38 -3.99 41.82 3 0 9.56 -999 ? MG MG C 701 >SER^C 83 66.94 -0.40 42.90 66.04 1.40 41.53 66.49 0.50 42.21 2 0 6.50 -999 ? MG MG C 701 >GLU^C 84 69.29 -1.68 47.53 70.42 -3.18 48.49 69.85 -2.43 48.01 2 0 11.01 -999 ? MG MG C 701 >GLY^C 85 65.17 0.88 49.34 65.37 1.05 48.52 65.27 0.96 48.93 1 0 10.76 -999 ? MG MG C 701 >ASN^C 86 66.20 5.52 49.83 64.42 5.91 50.94 65.31 5.72 50.39 2 0 11.51 -999 ? MG MG C 701 >HIS^C 87 70.63 3.03 48.02 71.66 3.76 49.70 71.14 3.39 48.86 3 0 7.49 -999 ? MG MG C 701 >PHE^C 88 65.75 5.72 41.40 64.54 5.98 38.88 65.15 5.85 40.14 3 0 -6.23 -999 ? MG MG C 701s >GLY^C 89 69.18 2.85 40.07 69.38 2.77 40.89 69.28 2.81 40.48 1 0 -3.59 -999 ? MG MG C 701s >VAL^C 90 72.09 0.66 41.15 72.16 -0.10 43.24 72.12 0.28 42.20 3 0 5.23 -999 ? MG MG C 701 >GLN^C 91 76.55 -0.58 36.98 75.46 -1.73 35.57 76.00 -1.15 36.28 2 0 10.29 -999 ? MG MG C 701 >PRO^C 92 73.93 -4.68 40.39 75.82 -3.51 40.05 74.88 -4.09 40.22 3 0 10.28 -999 ? MG MG C 701 >ILE^C 93 80.61 -3.81 38.92 81.16 -2.63 38.54 80.88 -3.22 38.73 3 0 13.30 -999 ? MG MG C 701 >VAL^C 94 81.25 -8.49 38.51 80.00 -10.29 38.90 80.62 -9.39 38.71 3 0 17.79 -999 ? MG MG C 701 >SER^C 95 84.76 -9.57 37.50 85.44 -11.49 38.84 85.10 -10.53 38.17 2 0 22.28 -999 ? MG MG C 701 >SER^C 96 85.62 -11.35 34.24 86.81 -9.73 32.91 86.21 -10.54 33.57 2 0 23.44 -999 ? MG MG C 701 >THR^C 97 88.34 -13.74 33.05 87.33 -15.11 31.73 87.83 -14.42 32.39 2 0 27.92 -999 ? MG MG C 701 >THR^C 98 90.59 -10.75 32.26 90.57 -9.62 30.38 90.58 -10.18 31.32 2 0 26.98 -999 ? MG MG C 701 >ALA^C 99 92.89 -9.43 34.99 94.32 -9.90 35.25 93.61 -9.66 35.12 2 0 28.47 -999 ? MG MG C 701 >ASN^C 100 93.81 -5.09 35.34 95.53 -5.46 36.54 94.67 -5.28 35.94 2 0 27.15 -999 ? MG MG C 701 >ALA^C 101 89.02 -5.48 34.34 88.07 -6.64 34.11 88.54 -6.06 34.22 2 0 22.06 -999 ? MG MG C 701 >SER^C 102 87.36 -2.38 35.77 88.89 -0.68 34.91 88.13 -1.53 35.34 2 0 19.90 -999 ? MG MG C 701 >PHE^C 103 81.97 0.63 35.76 80.08 2.63 35.19 81.03 1.63 35.47 3 0 12.21 -999 ? MG MG C 701 >LEU^C 104 86.44 4.14 35.44 87.64 5.96 35.63 87.04 5.05 35.53 3 0 17.00 -999 ? MG MG C 701 >ALA^C 105 82.61 6.53 36.60 81.29 6.37 37.40 81.95 6.45 37.00 2 0 11.01 -999 ? MG MG C 701 >GLY^C 106 84.64 9.71 36.33 84.23 9.70 35.67 84.43 9.71 36.00 1 0 15.10 -999 ? MG MG C 701 >MET?C 107 85.75 12.97 34.72 82.56 15.68 35.46 84.16 14.32 35.09 2 0 12.86 -999 ? MG MG B 701 >LEU^C 108 89.23 15.05 31.99 89.43 14.07 30.03 89.33 14.56 31.01 3 0 12.37 -999 ? MG MG B 701 >MET?C 109 91.36 16.17 35.88 93.50 13.32 38.15 92.43 14.74 37.01 2 0 18.75 -999 ? MG MG B 701 >ALA^C 110 92.42 18.96 33.47 92.66 18.79 31.97 92.54 18.88 32.72 2 0 11.67 -999 ? MG MG B 701 >ILE^C 111 87.79 20.33 33.25 86.90 19.47 32.60 87.34 19.90 32.92 3 0 8.57 -999 ? MG MG B 701 >PHE^C 112 87.25 19.12 37.98 84.65 18.58 37.06 85.95 18.85 37.52 3 0 12.51 -999 ? MG MG B 701 >PRO^C 113 91.78 24.23 37.60 91.96 22.15 38.41 91.87 23.19 38.01 3 0 13.69 -999 ? MG MG B 701 >LYS^C 114 93.41 22.58 42.47 98.59 24.82 41.88 96.00 23.70 42.17 2 0 20.82 -999 ? MG MG B 701 >GLU^C 115 91.99 27.36 40.62 93.62 26.64 39.44 92.81 27.00 40.03 2 0 15.83 -999 ? MG MG B 701 >SER^C 116 88.40 24.42 41.61 88.73 22.18 40.71 88.57 23.30 41.16 2 0 14.91 -999 ? MG MG B 701 >GLU^C 117 88.82 24.60 46.40 88.24 25.87 47.99 88.53 25.24 47.19 2 0 21.60 -999 ? MG MG B 701 >LEU^C 118 86.91 18.87 42.19 86.02 17.31 40.92 86.46 18.09 41.56 3 0 16.47 -999 ? MG MG B 701 >GLU^C 119 82.69 17.85 47.70 81.60 19.18 48.92 82.14 18.52 48.31 2 0 18.75 -999 ? MG MG C 701 >VAL^C 120 83.07 14.17 44.52 84.11 13.10 42.89 83.59 13.63 43.70 3 0 15.05 -999 ? MG MG C 701 >THR^C 121 80.37 12.23 46.38 79.13 13.24 47.83 79.75 12.73 47.10 2 0 12.77 -999 ? MG MG C 701 >VAL^C 122 79.73 8.49 45.79 81.21 7.35 44.60 80.47 7.92 45.20 3 0 10.27 -999 ? MG MG C 701 >TYR^C 123 75.14 8.05 47.61 74.57 10.58 48.68 74.85 9.31 48.14 3 0 8.44 -999 ? MG MG C 701 >PHE^C 124 80.56 2.93 47.78 82.28 3.30 49.96 81.42 3.12 48.87 3 0 12.75 -999 ? MG MG C 701 >LYS^C 125 77.43 -0.80 48.26 72.52 -4.81 49.10 74.98 -2.81 48.68 2 0 12.72 -999 ? MG MG C 701 >THR^C 126 80.04 -3.33 49.33 80.55 -2.99 51.39 80.30 -3.16 50.36 2 0 15.92 -999 ? MG MG C 701 >PRO^C 127 82.19 -6.65 47.50 80.02 -6.14 47.90 81.11 -6.39 47.70 3 0 16.56 -999 ? MG MG C 701 >SER^C 128 78.19 -9.74 49.49 77.47 -11.38 47.87 77.83 -10.56 48.68 2 0 18.97 -999 ? MG MG C 701 >ALA^C 129 81.66 -11.30 49.92 81.84 -12.72 49.34 81.75 -12.01 49.63 2 0 22.39 -999 ? MG MG C 701 >PHE^C 130 84.86 -7.69 51.95 83.43 -5.49 52.93 84.14 -6.59 52.44 3 0 20.70 -999 ? MG MG C 701 >ASN^C 131 87.34 -11.32 46.76 88.48 -12.83 45.76 87.91 -12.07 46.26 2 0 25.47 -999 ? MG MG C 701 >PRO^C 132 91.99 -12.31 48.44 90.98 -10.31 48.19 91.49 -11.31 48.31 3 0 27.13 -999 ? MG MG C 701 >ALA^C 133 91.23 -9.33 44.34 90.74 -10.38 43.37 90.98 -9.85 43.86 2 0 25.19 -999 ? MG MG C 701 >GLN^C 134 86.67 -7.53 45.54 85.38 -8.05 47.17 86.03 -7.79 46.36 2 0 20.33 -999 ? MG MG C 701 >LEU^C 135 91.72 -2.78 43.74 93.29 -1.22 43.86 92.50 -2.00 43.80 3 0 22.68 -999 ? MG MG C 701 >THR^C 136 88.15 0.24 44.50 86.00 -0.03 44.71 87.08 0.11 44.61 2 0 16.08 -999 ? MG MG C 701 >VAL^C 137 89.11 3.94 44.59 91.19 4.50 44.06 90.15 4.22 44.33 3 0 19.21 -999 ? MG MG C 701 >ILE^C 138 85.96 7.26 46.24 84.91 7.00 46.66 85.43 7.13 46.45 3 0 15.15 -999 ? MG MG C 701 >GLY^C 139 89.53 9.79 43.96 89.29 9.26 43.33 89.41 9.53 43.65 1 0 19.01 -999 ? MG MG C 701 >SER^C 140 92.08 10.04 41.15 94.16 10.90 42.08 93.12 10.47 41.61 2 0 23.05 -999 ? MG MG B 701 >THR^C 141 93.26 6.96 39.27 91.75 5.38 38.99 92.50 6.17 39.13 2 0 20.74 -999 ? MG MG C 701 >SER^C 142 94.97 5.55 36.21 97.03 4.59 37.12 96.00 5.07 36.67 2 0 26.21 -999 ? MG MG B 701 >ILE^C 143 92.13 5.76 32.31 91.67 6.24 31.12 91.90 6.00 31.71 3 0 21.08 -999 ? MG MG B 701 >GLY^C 144 91.23 1.44 32.32 91.57 1.53 33.01 91.40 1.48 32.67 1 0 22.46 -999 ? MG MG C 701 >LEU^C 145 93.78 -2.64 31.88 92.55 -4.11 30.81 93.17 -3.38 31.34 3 0 25.82 -999 ? MG MG C 701 >GLY^C 146 95.99 0.51 34.70 95.31 0.19 35.03 95.65 0.35 34.86 1 0 26.23 -999 ? MG MG C 701 >ILE^C 147 96.59 -1.61 38.59 96.69 -2.81 39.15 96.64 -2.21 38.87 3 0 26.72 -999 ? MG MG C 701 >SER^C 148 99.87 1.95 39.08 100.28 3.12 37.04 100.07 2.53 38.06 2 0 29.01 -999 ? MG MG B 701 >ASP^C 149 98.82 6.41 39.34 100.84 6.35 38.74 99.83 6.38 39.04 2 0 27.68 -999 ? MG MG B 701 >ARG^C 150 94.81 2.77 43.87 97.01 0.68 43.42 95.91 1.72 43.65 2 0 26.32 -999 ? MG MG C 701 >SER^C 151 94.79 8.80 45.40 95.08 11.19 45.75 94.94 9.99 45.58 2 0 24.94 -999 ? MG MG C 701 >GLY^C 152 91.71 9.07 47.66 92.21 8.43 47.91 91.96 8.75 47.78 1 0 21.72 -999 ? MG MG C 701 >LEU^C 153 88.27 6.64 50.13 87.42 5.70 51.93 87.84 6.17 51.03 3 0 19.15 -999 ? MG MG C 701 >ILE^C 154 92.62 2.94 48.46 93.83 2.94 47.89 93.22 2.94 48.18 3 0 23.13 -999 ? MG MG C 701 >ILE^C 155 87.73 -0.15 49.22 86.40 -0.04 49.67 87.07 -0.10 49.44 3 0 18.54 -999 ? MG MG C 701 >GLU^C 156 93.50 -2.31 48.45 95.60 -2.34 48.62 94.55 -2.33 48.53 2 0 26.55 -999 ? MG MG C 701 >ASN^C 157 90.40 -7.26 50.96 89.85 -9.28 51.38 90.12 -8.27 51.17 2 0 25.67 -999 ? MG MG C 701 >GLY^C 158 87.30 -5.47 53.27 88.03 -5.15 53.19 87.67 -5.31 53.23 1 0 22.66 -999 ? MG MG C 701 >ASN^C 159 91.01 -2.93 54.63 91.18 -4.55 56.00 91.10 -3.74 55.31 2 0 26.56 -999 ? MG MG C 701 >ALA^C 160 89.08 1.14 53.52 87.73 1.83 53.65 88.40 1.48 53.58 2 0 20.76 -999 ? MG MG C 701 >PHE^C 161 93.70 2.12 53.10 94.72 0.61 50.96 94.21 1.37 52.03 3 0 25.59 -999 ? MG MG C 701 >GLY^C 162 93.01 7.04 52.64 93.48 6.34 52.87 93.25 6.69 52.76 1 0 24.51 -999 ? MG MG C 701 >GLY^C 163 96.21 6.81 50.63 95.71 7.23 50.18 95.96 7.02 50.41 1 0 26.64 -999 ? MG MG C 701 >ILE^C 164 99.18 8.99 47.72 99.37 10.39 47.42 99.27 9.69 47.57 3 0 29.04 -999 ? MG MG C 701 >VAL^C 165 99.88 5.13 45.26 99.29 3.00 45.10 99.58 4.07 45.18 3 0 28.66 -999 ? MG MG C 701 >LYS^C 166 102.37 6.32 42.65 102.73 12.45 43.49 102.55 9.38 43.07 2 0 27.90 -999 ? MG MG B 701 >ALA^C 167 104.17 4.07 40.18 105.59 4.58 39.98 104.88 4.32 40.08 2 0 32.36 -999 ? MG MG B 701 >SER^C 168 102.71 1.14 42.18 102.64 0.00 40.04 102.67 0.57 41.11 2 0 31.96 -999 ? MG MG C 701 >ALA^C 169 104.32 2.26 45.48 105.71 2.87 45.52 105.02 2.56 45.50 2 0 34.85 -999 ? MG MG C 701 >ALA^C 170 102.36 3.30 48.57 101.87 2.37 49.67 102.12 2.83 49.12 2 0 31.88 -999 ? MG MG C 701 >THR^C 171 103.76 6.78 49.21 103.44 7.95 47.40 103.60 7.36 48.30 2 0 32.87 -999 ? MG MG C 701 >GLU^C 172 100.54 9.83 52.79 99.74 11.69 52.24 100.14 10.76 52.52 2 0 31.12 -999 ? MG MG C 701 >THR^C 173 98.72 5.37 53.79 98.85 3.26 53.24 98.79 4.31 53.51 2 0 30.09 -999 ? MG MG C 701 >GLY^C 174 96.20 6.24 56.50 96.37 5.48 56.22 96.28 5.86 56.36 1 0 29.12 -999 ? MG MG C 701 >SER^C 175 94.79 3.92 59.15 93.29 5.21 60.56 94.04 4.56 59.86 2 0 29.11 -999 ? MG MG C 701 >THR^C 176 92.26 1.38 57.92 93.32 -0.49 57.68 92.79 0.45 57.80 2 0 27.97 -999 ? MG MG C 701 >TYR^C 177 86.23 2.21 58.85 83.67 1.82 59.89 84.95 2.02 59.37 3 0 22.71 -999 ? MG MG C 701 >ALA^C 178 87.16 -2.36 58.25 87.49 -3.52 59.19 87.33 -2.94 58.72 2 0 25.57 -999 ? MG MG C 701 >LEU^C 179 83.93 -2.12 54.74 84.49 -0.27 53.75 84.21 -1.19 54.24 3 0 19.30 -999 ? MG MG C 701 >SER^C 180 80.97 -4.86 56.27 80.18 -4.58 58.57 80.57 -4.72 57.42 2 0 21.62 -999 ? MG MG C 701 >THR^C 181 79.67 -6.88 53.29 80.10 -8.99 53.59 79.89 -7.93 53.44 2 0 20.72 -999 ? MG MG C 701 >SER^C 182 76.35 -5.92 51.61 75.81 -8.17 50.95 76.08 -7.04 51.28 2 0 17.10 -999 ? MG MG C 701 >THR^C 183 76.35 -2.45 53.20 76.99 -2.30 55.28 76.67 -2.37 54.24 2 0 16.71 -999 ? MG MG C 701 >TRP^C 184 72.58 -0.19 50.64 73.55 0.93 46.98 73.06 0.37 48.81 3 0 8.96 -999 ? MG MG C 701 >TYR^C 185 79.98 2.02 53.36 80.45 -0.04 55.21 80.22 0.99 54.29 3 0 16.16 -999 ? MG MG C 701 >ILE^C 186 77.87 8.42 51.74 76.70 9.21 51.71 77.28 8.81 51.73 3 0 12.28 -999 ? MG MG C 701 >CYH^C 187 82.26 8.78 50.44 85.00 8.62 49.76 83.63 8.70 50.10 2 0 16.36 -999 ? MG MG C 701 >LYS^C 188 83.13 12.41 49.86 80.82 17.29 52.42 81.98 14.85 51.14 2 0 18.73 -999 ? MG MG C 701 >PHE^C 189 88.29 12.88 46.49 90.82 13.62 45.53 89.56 13.25 46.01 3 0 20.46 -999 ? MG MG C 701 >LYS^C 190 87.50 16.94 48.62 85.36 21.86 48.07 86.43 19.40 48.35 2 0 21.55 -999 ? MG MG B 701 >MET?C 191 90.19 18.64 46.52 90.90 19.77 42.48 90.55 19.20 44.50 2 0 17.84 -999 ? MG MG B 701 >LEU^C 192 92.96 20.73 49.82 92.11 19.71 51.61 92.53 20.22 50.72 3 0 25.78 -999 ? MG MG B 701 >THR^C 193 93.61 24.41 47.21 92.87 26.07 48.43 93.24 25.24 47.82 2 0 23.32 -999 ? MG MG B 701 >ASP^C 194 98.00 23.05 48.70 97.21 21.79 50.24 97.60 22.42 49.47 2 0 26.99 -999 ? MG MG B 701 >ASP^C 195 97.05 19.71 44.32 96.10 18.82 42.61 96.58 19.26 43.47 2 0 20.72 -999 ? MG MG B 701 >ARG^C 196 98.32 18.72 51.78 96.45 19.69 54.03 97.38 19.20 52.91 2 0 30.33 -999 ? MG MG B 701 >PHE^C 197 93.27 13.45 48.79 94.52 11.05 49.48 93.90 12.25 49.13 3 0 24.89 -999 ? MG MG C 701 >LYS^C 198 90.47 14.92 52.21 88.60 16.98 57.80 89.53 15.95 55.00 2 0 26.44 -999 ? MG MG C 701 >VAL^C 199 88.30 11.79 52.05 89.50 10.23 51.03 88.90 11.01 51.54 3 0 21.07 -999 ? MG MG C 701 >THR^C 200 85.41 11.05 54.38 84.72 12.64 55.67 85.06 11.85 55.03 2 0 20.81 -999 ? MG MG C 701 >LEU^C 201 84.21 6.46 54.82 83.65 4.42 54.36 83.93 5.44 54.59 3 0 18.18 -999 ? MG MG C 701 >TYR^C 202 79.70 10.37 55.39 80.90 12.88 54.97 80.30 11.62 55.18 3 0 17.48 -999 ? MG MG C 701 >SER^C 203 77.24 5.36 56.91 75.80 6.22 58.64 76.52 5.79 57.78 2 0 17.64 -999 ? MG MG C 701 >ASP^C 204 73.30 4.01 54.36 72.30 4.19 52.50 72.80 4.10 53.43 2 0 10.99 -999 ? MG MG C 701 >SER^C 205 72.49 7.78 57.15 72.78 6.87 59.38 72.63 7.32 58.27 2 0 17.88 -999 ? MG MG C 701 >GLY^C 206 75.38 10.27 56.76 75.36 9.79 57.39 75.37 10.03 57.07 1 0 16.44 -999 ? MG MG C 701 >THR^C 207 77.11 9.52 60.07 76.35 8.63 61.90 76.73 9.07 60.98 2 0 21.16 -999 ? MG MG C 701 >GLN^C 208 83.16 11.19 59.68 84.27 13.00 59.77 83.71 12.10 59.73 2 0 23.62 -999 ? MG MG C 701 >LEU^C 209 82.31 5.60 59.21 80.53 4.36 59.49 81.42 4.98 59.35 3 0 20.47 -999 ? MG MG C 701 >TYR^C 210 88.13 6.34 57.69 90.82 6.24 56.90 89.48 6.29 57.29 3 0 24.10 -999 ? MG MG C 701 >SER^C 211 88.24 10.53 57.43 88.46 12.52 58.81 88.35 11.52 58.12 2 0 25.39 -999 ? MG MG C 701 >TYR^C 212 93.78 9.86 55.04 96.53 9.93 54.58 95.16 9.90 54.81 3 0 27.73 -999 ? MG MG C 701 >THR^C 213 93.54 14.25 54.98 93.00 16.27 55.61 93.27 15.26 55.29 2 0 28.10 -999 ? MG MG C 701 >SER^C 214 96.63 13.77 52.80 96.59 14.91 50.64 96.61 14.34 51.72 2 0 28.59 -999 ? MG MG C 701 >THR^C 215 100.10 15.14 53.62 101.59 14.61 55.13 100.84 14.87 54.37 2 0 34.53 -999 ? MG MG C 701 >ALA^C 216 101.30 15.14 50.02 102.22 14.05 49.50 101.76 14.59 49.76 2 0 30.97 -999 ? MG MG B 701 >ALA^C 217 99.47 16.28 46.87 100.05 17.19 45.82 99.76 16.74 46.34 2 0 25.94 -999 ? MG MG B 701 >MET?C 218 97.08 13.85 45.15 93.62 15.40 43.23 95.35 14.63 44.19 2 0 21.23 -999 ? MG MG B 701 >PHE^C 219 97.85 9.95 40.34 97.88 9.36 37.60 97.86 9.66 38.97 3 0 23.86 -999 ? MG MG B 701 >ARG^C 220 96.73 17.87 38.73 93.81 18.75 39.24 95.27 18.31 38.98 2 0 16.90 -999 ? MG MG B 701 >ALA^C 221 97.55 13.63 35.31 97.79 12.25 34.72 97.67 12.94 35.01 2 0 20.22 -999 ? MG MG B 701 >ASP^C 222 96.21 17.84 33.42 95.76 18.62 35.37 95.99 18.23 34.39 2 0 15.71 -999 ? MG MG B 701 >ASN^C 223 96.59 13.77 29.59 97.88 12.54 30.77 97.23 13.15 30.18 2 0 18.89 -999 ? MG MG B 701 >ALA^C 224 93.19 11.01 29.35 92.49 10.84 27.98 92.84 10.92 28.66 2 0 16.43 -999 ? MG MG B 701 >THR^C 225 95.58 8.52 31.04 97.66 9.18 30.95 96.62 8.85 31.00 2 0 21.16 -999 ? MG MG B 701 >ALA^C 226 93.77 9.41 34.27 94.62 10.23 35.24 94.19 9.82 34.76 2 0 19.94 -999 ? MG MG B 701 >HIS^C 227 88.54 9.66 33.77 87.83 10.23 31.88 88.19 9.95 32.82 3 0 16.70 -999 ? MG MG B 701 >ILE^C 228 89.18 12.79 39.44 89.12 13.98 40.13 89.15 13.39 39.78 3 0 18.12 -999 ? MG MG B 701 >GLY^C 229 85.72 9.68 40.44 86.38 9.25 40.66 86.05 9.47 40.55 1 0 15.21 -999 ? MG MG C 701 >PHE^C 230 83.01 4.32 41.76 82.35 1.63 42.27 82.68 2.97 42.01 3 0 11.76 -999 ? MG MG C 701 >LYS^C 231 86.70 3.01 39.94 91.97 1.54 36.76 89.34 2.27 38.35 2 0 21.71 -999 ? MG MG C 701 >THR^C 232 86.22 -0.62 40.95 84.47 -1.82 41.50 85.35 -1.22 41.22 2 0 15.13 -999 ? MG MG C 701 >GLN^C 233 90.82 -3.17 38.49 92.42 -1.85 38.03 91.62 -2.51 38.26 2 0 22.73 -999 ? MG MG C 701 >CYH^C 234 89.46 -7.01 39.87 88.96 -9.75 39.96 89.21 -8.38 39.91 2 0 23.42 -999 ? MG MG C 701 >LYS^C 235 93.20 -7.70 40.14 95.40 -6.34 45.47 94.30 -7.02 42.80 2 0 27.19 -999 ? MG MG C 701 >THR^C 236 92.91 -11.36 39.08 92.37 -12.35 40.94 92.64 -11.85 40.01 2 0 27.65 -999 ? MG MG C 701 >ALA^C 237 91.73 -13.23 36.00 92.75 -13.79 35.00 92.24 -13.51 35.50 2 0 29.63 -999 ? MG MG C 701 >THR^C 238 88.90 -15.08 37.77 89.45 -15.77 39.80 89.17 -15.42 38.79 2 0 28.02 -999 ? MG MG C 701 >ALA^C 239 85.28 -14.30 36.84 84.65 -14.75 35.53 84.97 -14.52 36.18 2 0 24.99 -999 ? MG MG C 701 >GLY^C 240 82.27 -14.13 39.17 82.90 -13.66 39.35 82.59 -13.89 39.26 1 0 22.59 -999 ? MG MG C 701 >ILE^C 241 85.40 -11.71 42.08 86.67 -11.82 42.75 86.04 -11.77 42.41 3 0 22.72 -999 ? MG MG C 701 >SER^C 242 81.53 -9.20 42.93 79.36 -10.12 43.54 80.44 -9.66 43.23 2 0 17.65 -999 ? MG MG C 701 >LEU^C 243 83.66 -5.07 41.71 85.44 -5.98 40.76 84.55 -5.52 41.23 3 0 17.27 -999 ? MG MG C 701 >ILE^C 244 82.41 -1.48 45.27 82.78 -0.73 46.49 82.59 -1.11 45.88 3 0 13.81 -999 ? MG MG C 701 >SER^C 245 78.05 -1.55 43.31 76.83 -3.61 43.71 77.44 -2.58 43.51 2 0 10.84 -999 ? MG MG C 701 >ILE^C 246 78.30 2.88 41.63 78.80 3.83 40.78 78.55 3.36 41.21 3 0 7.66 -999 ? MG MG C 701 >ASP^C 247 73.48 4.11 44.58 71.62 5.15 44.74 72.55 4.63 44.66 2 0 -3.15 -999 ? MG MG C 701s >LEU^C 248 74.04 8.26 43.60 73.13 10.24 43.59 73.59 9.25 43.59 3 0 4.95 -999 ? MG MG C 701 >ILE^C 249 79.07 9.35 40.91 80.13 9.39 39.99 79.60 9.37 40.45 3 0 9.39 -999 ? MG MG C 701 >GLU^C 250 77.09 15.77 43.31 76.32 16.48 45.17 76.70 16.13 44.24 2 0 12.73 -999 ? MG MG C 701 >PHE^C 251 81.98 14.81 39.24 83.29 12.37 38.76 82.63 13.59 39.00 3 0 14.33 -999 ? MG MG C 701 >LYS^C 252 80.81 19.88 42.06 77.57 19.80 47.56 79.19 19.84 44.81 2 0 16.84 -999 ? MG MG C 701 >ALA^C 253 83.51 22.52 41.54 84.46 21.95 40.51 83.99 22.23 41.02 2 0 14.08 -999 ? MG MG B 701 >LYS^C 254 84.20 26.24 41.17 85.11 28.74 46.83 84.65 27.49 44.00 2 0 20.41 -999 ? MG MG B 701 >VAL^C 255 85.27 27.18 37.63 84.02 25.74 36.50 84.65 26.46 37.07 3 0 10.40 -999 ? MG MG B 701 >SER^C 256 86.40 30.20 35.62 88.35 30.89 36.91 87.37 30.55 36.26 2 0 12.40 -999 ? MG MG B 701 >ALA^C 257 84.03 30.37 32.67 83.14 29.13 32.69 83.58 29.75 32.68 2 0 7.29 -999 ? MG MG B 701 >THR^C 258 83.11 34.04 32.29 82.80 35.64 33.71 82.95 34.84 33.00 2 0 12.77 -999 ? MG MG B 701 >ARG^C 259 83.48 31.15 27.51 82.46 28.57 28.75 82.97 29.86 28.13 2 0 4.45 -999 ? MG MG B 701 >ALA^C 260 81.73 37.70 26.53 82.58 38.42 25.48 82.16 38.06 26.00 2 0 13.57 -999 ? MG MG B 701 >LYS^C 261 78.06 37.63 25.56 75.84 36.91 30.78 76.95 37.27 28.17 2 0 15.12 -999 ? MG MG B 701 >VAL^C 262 77.21 38.65 21.98 78.82 37.56 20.89 78.01 38.10 21.44 3 0 15.46 -999 ? MG MG B 701