REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-OCT-08 3F1T COMPND UNCHARACTERIZED PROTEIN Q9I3C8_PSEAE; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; SOURCE 3 ORGANISM_TAXID: 287; SOURCE 4 STRAIN: ATCC 15692/PAO1/1C/PRS 101/LMG 12228; SOURCE 5 GENE: PA1593; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) +MAGIC; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET 21-23C AUTHOR S.M.VOROBIEV,Y.CHEN,M.ABASHIDZE,J.SEETHARAMAN,D.WANG,E.L.FOOTE, AUTHOR 2 C.CICCOSANTI,L.MAO,R.XIAO,T.B.ACTON,G.T.MONTELIONE,L.TONG,J.F.HUNT, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 63 16 HET MSE A 91 8 HET MSE A 137 8 HET MSE A 139 8 HET MSE B 63 16 HET MSE B 91 8 HET MSE B 137 8 HET MSE B 139 8 HET MSE C 63 16 HET MSE C 91 8 HET MSE C 137 8 HET MSE C 139 5 HET MSE D 63 16 HET MSE D 91 8 HET MSE D 137 8 HET MSE D 139 8 HET MG A 201 1 HET MG B 202 1 SITE 1 AC1 4 THR A 110 ASN A 112 THR D 110 ASN D 112 SITE 1 AC2 4 THR B 110 ASN B 112 THR C 110 ASN C 112 >ASN~A 4 53.98 20.85 30.59 53.13 19.88 28.88 53.56 20.37 29.74 2 0 31.09 -999 ? MG MG A 201 >PRO~A 5 52.81 25.01 30.25 54.71 24.32 29.30 53.76 24.67 29.78 3 0 26.57 -999 ? MG MG A 201 >LEU~A 6 58.68 25.58 31.81 57.66 26.43 33.51 58.17 26.01 32.66 3 0 22.61 -999 ? MG MG A 201 >LEU~A 7 58.87 21.25 28.60 60.04 19.46 28.30 59.45 20.35 28.45 3 0 28.66 -999 ? MG MG A 201 >GLU~A 8 56.65 24.61 23.36 57.65 23.38 21.94 57.15 24.00 22.65 2 0 29.77 -999 ? MG MG A 201 >ARG~A 9 57.70 30.57 27.57 57.88 31.02 30.59 57.79 30.80 29.08 2 0 19.30 -999 ? MG MG A 201 >ALA~A 10 62.94 26.23 26.98 63.22 25.26 28.11 63.08 25.74 27.54 2 0 23.72 -999 ? MG MG A 201 >ARG~A 11 61.96 20.63 23.23 58.92 20.24 23.38 60.44 20.43 23.30 2 0 31.15 -999 ? MG MG A 201 >ARG~A 12 58.80 28.68 20.40 58.91 31.24 22.11 58.85 29.96 21.26 2 0 23.81 -999 ? MG MG A 201 >PHE~A 13 65.99 30.66 25.39 67.70 32.68 26.29 66.84 31.67 25.84 3 0 19.56 -999 ? MG MG A 201 >LEU~A 14 67.40 25.29 23.32 69.15 24.17 23.91 68.27 24.73 23.62 3 0 26.38 -999 ? MG MG A 201 >SER~A 15 66.57 26.20 19.02 64.15 26.50 18.92 65.36 26.35 18.97 2 0 28.20 -999 ? MG MG A 201 >ALA.A 16 67.25 29.91 18.57 66.60 31.01 19.41 66.92 30.46 18.99 2 0 24.79 -999 ? MG MG A 201 >LEU.A 17 71.27 28.85 20.85 70.42 30.09 22.45 70.85 29.47 21.65 3 0 24.45 -999 ? MG MG A 201 >HIS~A 19 78.32 27.63 19.68 79.97 26.66 20.54 79.14 27.15 20.11 3 0 29.60 -999 ? MG MG A 201 >CYH~A 20 74.22 25.11 20.55 73.81 26.92 22.55 74.01 26.02 21.55 2 0 26.31 -999 ? MG MG A 201 >GLN~A 21 71.24 25.31 16.53 69.38 24.70 17.38 70.31 25.01 16.95 2 0 30.59 -999 ? MG MG A 201 >VAL~A 22 76.12 22.18 16.58 77.74 23.27 15.63 76.93 22.73 16.11 3 0 34.35 -999 ? MG MG A 201 >LEU~A 23 76.80 21.91 21.36 78.67 22.90 21.91 77.73 22.40 21.63 3 0 30.22 -999 ? MG MG B 202 >GLY~A 24 73.21 19.16 20.05 73.50 19.62 20.67 73.35 19.39 20.36 1 0 33.60 -999 ? MG MG A 201 >LEU.A 25 72.28 21.81 24.04 74.14 22.57 24.90 73.21 22.19 24.47 3 0 28.74 -999 ? MG MG A 201 >THR^A 26 68.72 19.11 24.58 68.78 17.00 24.09 68.75 18.05 24.33 2 0 32.74 -999 ? MG MG A 201 >VAL^A 27 66.41 20.13 27.39 65.17 21.90 27.53 65.79 21.01 27.46 3 0 27.58 -999 ? MG MG A 201 >GLU^A 28 68.36 16.34 29.75 67.91 14.76 28.42 68.14 15.55 29.09 2 0 33.04 -999 ? MG MG A 201 >ALA^A 29 63.70 18.96 32.38 63.97 18.23 33.70 63.83 18.59 33.04 2 0 28.39 -999 ? MG MG A 201 >ALA^A 30 62.20 22.35 33.28 61.95 23.09 31.98 62.07 22.72 32.63 2 0 24.42 -999 ? MG MG A 201 >ASP.A 31 60.88 22.18 37.88 61.06 20.12 37.58 60.97 21.15 37.73 2 0 26.47 -999 ? MG MG A 201 >LYS.A 33 62.73 24.22 40.48 62.73 19.33 43.90 62.73 21.77 42.19 2 0 27.33 -999 ? MG MG A 201 >GLY.A 34 65.07 25.06 37.59 64.55 24.48 37.35 64.81 24.77 37.47 1 0 21.02 -999 ? MG MG A 201 >LEU^A 35 66.61 25.02 33.30 66.61 25.09 31.14 66.61 25.05 32.22 3 0 22.04 -999 ? MG MG A 201 >THR^A 36 68.43 20.84 33.13 68.65 19.03 34.28 68.54 19.93 33.70 2 0 27.46 -999 ? MG MG A 201 >LEU^A 37 70.81 21.85 29.17 69.65 23.64 28.71 70.23 22.74 28.94 3 0 25.65 -999 ? MG MG A 201 >ARG^A 38 71.68 13.89 27.78 71.17 13.42 24.78 71.42 13.66 26.28 2 0 35.88 -999 ? MG MG A 201 >LEU^A 39 76.62 18.85 26.68 78.34 19.56 25.55 77.48 19.21 26.12 3 0 28.52 -999 ? MG MG B 202 >PRO~A 40 74.83 15.81 22.52 75.89 15.42 24.48 75.36 15.61 23.50 3 0 32.54 -999 ? MG MG B 202 >TYR~A 41 80.40 11.46 24.80 80.31 8.91 23.68 80.35 10.19 24.24 3 0 30.62 -999 ? MG MG B 202 >SER~A 42 80.12 13.05 20.92 77.95 12.03 20.47 79.04 12.54 20.69 2 0 33.53 -999 ? MG MG B 202 >GLN~A 43 76.62 16.23 19.15 77.27 15.26 17.35 76.95 15.74 18.25 2 0 34.77 -999 ? MG MG B 202 >ALA~A 44 81.84 18.26 21.67 81.18 18.88 22.88 81.51 18.57 22.27 2 0 27.43 -999 ? MG MG B 202 >ILE~A 45 85.21 14.86 20.59 85.58 13.58 21.44 85.40 14.22 21.02 3 0 27.41 -999 ? MG MG B 202 >ILE.A 46 89.03 18.82 22.36 90.05 19.39 23.17 89.54 19.10 22.77 3 0 21.96 -999 ? MG MG B 202 >GLY.A 47 91.03 15.60 19.58 90.22 15.46 19.49 90.63 15.53 19.53 1 0 25.04 -999 ? MG MG B 202 >ASN.A 48 91.55 10.80 19.27 91.24 8.96 18.24 91.40 9.88 18.75 2 0 29.29 -999 ? MG MG B 202 >PRO.A 49 86.99 10.89 16.67 87.55 11.07 18.84 87.27 10.98 17.75 3 0 30.22 -999 ? MG MG B 202 >GLU.A 50 89.89 5.39 20.35 91.84 4.65 19.97 90.86 5.02 20.16 2 0 30.61 -999 ? MG MG B 202 >SER.A 51 89.28 8.92 23.45 91.63 9.35 22.95 90.45 9.14 23.20 2 0 25.59 -999 ? MG MG B 202 >GLY.A 52 86.40 10.33 25.45 86.99 10.88 25.32 86.69 10.60 25.39 1 0 26.02 -999 ? MG MG B 202 >VAL.A 53 87.50 13.89 25.74 89.57 14.25 26.28 88.54 14.07 26.01 3 0 22.35 -999 ? MG MG B 202 >VAL.A 54 84.89 16.64 25.85 82.84 16.50 26.62 83.86 16.57 26.24 3 0 24.18 -999 ? MG MG B 202 >HIS~A 55 86.80 22.19 23.87 87.82 24.02 23.98 87.31 23.10 23.93 3 0 21.57 -999 ? MG MG B 202 >GLY~A 56 85.90 22.25 28.35 85.70 22.43 27.56 85.80 22.34 27.96 1 0 19.78 -999 ? MG MG B 202 >GLY~A 57 84.64 25.03 26.10 84.28 24.29 26.22 84.46 24.66 26.16 1 0 21.85 -999 ? MG MG B 202 >ALA~A 58 81.55 22.97 25.28 81.55 21.57 24.65 81.55 22.27 24.96 2 0 25.52 -999 ? MG MG B 202 >ILE~A 59 81.73 21.77 29.99 82.00 20.66 30.93 81.87 21.21 30.46 3 0 22.32 -999 ? MG MG B 202 >THR~A 60 81.15 26.23 29.38 82.74 27.66 29.51 81.94 26.94 29.44 2 0 21.60 -999 ? MG MG B 202 >THR~A 61 78.65 26.83 26.58 78.79 26.78 24.42 78.72 26.80 25.50 2 0 27.13 -999 ? MG MG A 201 >LEU~A 62 76.78 22.85 28.63 75.63 21.35 29.68 76.20 22.10 29.15 3 0 27.63 -999 ? MG MG A 201 >MET?A 63 76.55 26.13 31.51 76.42 23.83 33.39 76.48 24.98 32.45 2 0 24.92 -999 ? MG MG A 201 >ASP~A 64 77.06 30.27 29.06 76.34 32.14 28.35 76.70 31.21 28.71 2 0 20.11 -999 ? MG MG A 201 >THR~A 65 73.13 28.38 28.13 73.01 27.55 26.15 73.07 27.96 27.14 2 0 23.47 -999 ? MG MG A 201 >THR~A 66 71.57 26.55 31.06 71.95 24.64 32.01 71.76 25.59 31.54 2 0 23.14 -999 ? MG MG A 201 >CYH~A 67 71.81 29.67 33.24 74.13 29.63 34.85 72.97 29.65 34.04 2 0 18.52 -999 ? MG MG A 201 >GLY~A 68 70.63 31.73 30.28 70.26 31.08 30.62 70.44 31.41 30.45 1 0 17.28 -999 ? MG MG A 201 >ILE~A 69 67.51 28.28 28.78 67.12 27.53 27.58 67.31 27.90 28.18 3 0 21.16 -999 ? MG MG A 201 >SER~A 70 66.67 28.96 33.27 68.34 29.69 34.89 67.51 29.33 34.08 2 0 16.92 -999 ? MG MG A 201 >THR~A 71 65.30 32.51 33.26 66.58 33.70 31.98 65.94 33.11 32.62 2 0 14.22 -999 ? MG MG A 201 >VAL~A 72 62.15 31.01 31.67 62.73 29.70 30.01 62.44 30.35 30.84 3 0 18.17 -999 ? MG MG A 201 >CYH~A 73 61.27 29.38 35.02 63.03 27.24 34.82 62.15 28.31 34.92 2 0 19.55 -999 ? MG MG A 201 >VAL~A 74 60.46 32.80 36.48 62.39 33.11 37.44 61.42 32.96 36.96 3 0 14.16 -999 ? MG MG A 201 >LEU.A 75 60.46 35.39 32.33 62.03 36.89 32.44 61.24 36.14 32.39 3 0 13.07 -999 ? MG MG A 201 >PRO.A 76 55.44 36.20 33.81 56.52 34.42 32.96 55.98 35.31 33.38 3 0 16.09 -999 ? MG MG A 201 >ASP.A 77 56.19 37.17 28.91 55.59 37.51 26.91 55.89 37.34 27.91 2 0 18.51 -999 ? MG MG A 201 >PHE.A 78 60.21 33.30 24.98 62.58 32.90 23.56 61.40 33.10 24.27 3 0 20.36 -999 ? MG MG A 201 >GLU.A 79 62.12 38.01 28.71 62.06 39.81 29.81 62.09 38.91 29.26 2 0 12.08 -999 ? MG MG A 201 >ILE.A 80 66.65 36.37 24.55 67.00 35.85 23.47 66.83 36.11 24.01 3 0 18.09 -999 ? MG MG A 201 >CYH.A 81 67.94 38.09 28.79 65.92 37.70 30.69 66.93 37.89 29.74 2 0 11.87 -999 ? MG MG A 201 >PRO.A 82 70.10 41.28 26.89 70.64 39.35 27.89 70.37 40.32 27.39 3 0 13.62 -999 ? MG MG A 201 >THR^A 83 74.28 38.47 30.02 75.54 36.71 29.85 74.91 37.59 29.93 2 0 15.93 -999 ? MG MG A 201 >LEU^A 84 74.63 41.42 33.79 72.95 42.73 33.52 73.79 42.08 33.65 3 0 9.90 -999 ? MG MG A 201 >ASP^A 85 78.03 39.16 35.99 78.05 41.27 36.19 78.04 40.22 36.09 2 0 12.77 -999 ? MG MG A 201 >LEU^A 86 78.95 34.57 33.03 78.19 32.72 32.23 78.57 33.65 32.63 3 0 18.41 -999 ? MG MG A 201 >ARG^A 87 82.03 32.99 40.30 81.15 30.96 42.45 81.59 31.97 41.37 2 0 21.19 -999 ? MG MG A 201 >ILE^A 88 82.45 28.85 34.40 81.84 28.22 33.29 82.14 28.53 33.85 3 0 20.54 -999 ? MG MG B 202 >ASP^A 89 84.82 28.01 39.66 84.92 30.12 39.76 84.87 29.06 39.71 2 0 17.23 -999 ? MG MG B 202 >TYR^A 90 86.05 23.74 34.86 84.46 24.01 32.60 85.26 23.87 33.73 3 0 17.55 -999 ? MG MG B 202 >MET?A 91 86.26 21.55 40.32 84.83 23.32 42.69 85.55 22.44 41.51 2 0 17.16 -999 ? MG MG B 202 >HIS.A 92 85.96 16.78 39.15 84.01 15.99 39.11 84.98 16.39 39.13 3 0 19.08 -999 ? MG MG B 202 >PRO.A 93 89.81 16.04 35.62 88.06 17.44 35.57 88.93 16.74 35.59 3 0 16.12 -999 ? MG MG B 202 >ALA.A 94 85.07 15.62 33.01 84.39 16.16 31.76 84.73 15.89 32.39 2 0 21.30 -999 ? MG MG B 202 >GLU.A 95 84.35 10.80 34.79 82.95 9.62 35.81 83.65 10.21 35.30 2 0 24.99 -999 ? MG MG B 202 >PRO.A 96 87.39 9.65 29.71 85.49 10.85 29.68 86.44 10.25 29.69 3 0 23.95 -999 ? MG MG B 202 >HIS.A 97 84.19 7.36 25.98 85.81 6.96 24.70 85.00 7.16 25.34 3 0 28.85 -999 ? MG MG B 202 >LYS.A 98 79.92 10.46 29.25 81.10 7.21 34.58 80.51 8.83 31.91 2 0 28.14 -999 ? MG MG B 202 >ASP.A 99 75.74 12.68 28.25 75.28 11.91 26.32 75.51 12.30 27.28 2 0 32.67 -999 ? MG MG B 202 >VAL^A 100 77.48 16.19 30.50 79.32 17.35 30.69 78.40 16.77 30.60 3 0 26.54 -999 ? MG MG B 202 >TYR^A 101 73.04 15.49 32.44 72.26 13.10 31.24 72.65 14.29 31.84 3 0 32.14 -999 ? MG MG B 202 >GLY^A 102 73.90 21.21 33.31 73.23 20.71 33.28 73.56 20.96 33.30 1 0 26.48 -999 ? MG MG A 201 >PHE^A 103 70.04 21.98 38.03 67.88 22.90 39.52 68.96 22.44 38.77 3 0 23.65 -999 ? MG MG A 201 >ALA^A 104 70.70 26.06 36.75 71.03 27.08 35.69 70.86 26.57 36.22 2 0 19.72 -999 ? MG MG A 201 >GLU^A 105 67.12 27.13 41.31 67.12 25.80 42.96 67.12 26.47 42.14 2 0 20.52 -999 ? MG MG A 201 >CYH^A 106 67.23 31.38 39.43 66.22 32.13 36.91 66.72 31.76 38.17 2 0 14.02 -999 ? MG MG A 201 >TYR^A 107 70.22 32.82 43.40 72.48 34.32 42.82 71.35 33.57 43.11 3 0 13.86 -999 ? MG MG A 201 >ARG^A 108 68.61 39.30 44.35 71.28 38.03 45.25 69.94 38.66 44.80 2 0 11.05 -999 ? MG MG A 201 >VAL^A 109 64.69 38.28 40.68 63.28 37.12 39.49 63.99 37.70 40.09 3 0 8.70 -999 ? MG MG A 201 >THR.A 110 64.53 42.07 40.69 66.59 42.69 40.97 65.56 42.38 40.83 2 0 -3.74 -999 ? MG MG A 201s >PRO.A 111 62.36 45.88 40.08 63.01 44.11 38.88 62.68 45.00 39.48 3 0 4.00 -999 ? MG MG A 201 >ASN.A 112 66.25 45.74 35.70 64.84 47.24 35.15 65.54 46.49 35.43 2 0 -4.56 -999 ? MG MG A 201s >VAL^A 113 68.03 41.56 36.86 69.97 42.31 37.47 69.00 41.93 37.16 3 0 5.13 -999 ? MG MG A 201 >ILE^A 114 67.18 36.94 36.26 66.13 36.32 35.65 66.65 36.63 35.95 3 0 9.88 -999 ? MG MG A 201 >PHE^A 115 71.23 37.88 40.78 71.71 40.60 40.95 71.47 39.24 40.87 3 0 8.50 -999 ? MG MG A 201 >THR^A 116 71.08 32.28 38.60 71.21 31.39 36.66 71.14 31.83 37.63 2 0 15.51 -999 ? MG MG A 201 >ARG^A 117 74.71 28.90 43.44 72.82 26.71 44.44 73.77 27.80 43.94 2 0 20.92 -999 ? MG MG A 201 >GLY^A 118 74.09 26.02 38.55 74.82 26.35 38.77 74.45 26.18 38.66 1 0 21.34 -999 ? MG MG A 201 >PHE^A 119 75.59 21.84 39.74 73.26 20.59 40.60 74.42 21.22 40.17 3 0 25.99 -999 ? MG MG A 201 >ALA^A 120 77.80 20.72 35.44 78.85 20.99 34.35 78.32 20.85 34.89 2 0 23.88 -999 ? MG MG B 202 >TYR^A 121 75.49 16.75 37.28 72.81 16.66 36.56 74.15 16.70 36.92 3 0 29.05 -999 ? MG MG B 202 >GLN.A 122 79.65 13.70 33.16 81.70 13.44 32.70 80.68 13.57 32.93 2 0 24.47 -999 ? MG MG B 202 >ASP.A 123 77.99 9.68 37.91 79.48 9.16 36.51 78.74 9.42 37.21 2 0 27.85 -999 ? MG MG B 202 >PRO.A 125 72.74 15.45 40.51 74.95 15.30 40.90 73.85 15.38 40.71 3 0 29.63 -999 ? MG MG B 202 >GLY.A 126 76.96 15.40 44.24 77.31 15.60 43.52 77.14 15.50 43.88 1 0 27.06 -999 ? MG MG B 202 >GLN.A 127 81.58 14.13 44.10 81.95 15.55 45.66 81.77 14.84 44.88 2 0 22.87 -999 ? MG MG B 202 >PRO.A 128 79.20 19.98 41.76 79.84 18.16 40.60 79.52 19.07 41.18 3 0 23.09 -999 ? MG MG B 202 >ILE.A 129 82.25 18.94 35.74 82.38 18.35 34.56 82.32 18.65 35.15 3 0 21.07 -999 ? MG MG B 202 >ALA^A 130 82.02 22.93 37.72 82.35 23.43 36.33 82.19 23.18 37.02 2 0 19.69 -999 ? MG MG B 202 >HIS^A 131 80.25 24.92 41.74 80.14 23.32 43.10 80.20 24.12 42.42 3 0 21.60 -999 ? MG MG B 202 >VAL^A 132 78.53 28.69 37.49 77.28 28.47 35.69 77.90 28.58 36.59 3 0 20.92 -999 ? MG MG A 201 >VAL^A 133 76.82 31.89 38.64 76.84 32.48 40.74 76.83 32.19 39.69 3 0 17.20 -999 ? MG MG A 201 >GLY^A 134 75.43 34.48 36.28 74.95 34.45 36.98 75.19 34.47 36.63 1 0 14.80 -999 ? MG MG A 201 >ALA^A 135 73.31 37.61 36.26 73.72 38.84 37.07 73.51 38.22 36.66 2 0 10.32 -999 ? MG MG A 201 >PHE^A 136 71.27 36.04 32.58 73.08 33.98 32.16 72.17 35.01 32.37 3 0 14.07 -999 ? MG MG A 201 >MET?A 137 69.43 41.71 32.23 69.72 45.34 32.33 69.58 43.52 32.28 2 0 7.58 -999 ? MG MG A 201 >ARG^A 138 64.18 40.32 34.26 61.18 40.79 34.72 62.68 40.55 34.49 2 0 8.70 -999 ? MG MG A 201 >MET?A 139 65.30 45.02 29.31 67.52 47.95 27.63 66.41 46.49 28.47 2 0 11.76 -999 ? MG MG A 201 >ASN^B 4 105.14 34.79 11.48 107.25 34.78 11.72 106.19 34.78 11.60 2 0 30.11 -999 ? MG MG B 202 >PRO^B 5 107.55 32.60 14.96 105.39 32.24 14.41 106.47 32.42 14.68 3 0 26.52 -999 ? MG MG B 202 >LEU^B 6 103.17 33.50 18.55 104.16 33.16 20.46 103.66 33.33 19.51 3 0 21.83 -999 ? MG MG B 202 >LEU^B 7 100.41 34.38 13.91 98.77 35.52 13.09 99.59 34.95 13.50 3 0 28.00 -999 ? MG MG B 202 >GLU^B 8 102.60 30.38 11.52 101.13 30.90 10.09 101.86 30.64 10.81 2 0 30.23 -999 ? MG MG B 202 >ARG^B 9 101.92 27.42 19.91 104.67 27.57 21.23 103.29 27.49 20.57 2 0 18.99 -999 ? MG MG B 202 >ALA^B 10 97.38 30.20 17.60 97.32 31.73 17.77 97.35 30.96 17.69 2 0 23.29 -999 ? MG MG B 202 >ARG^B 11 96.23 32.02 11.42 96.53 34.81 10.18 96.38 33.42 10.80 2 0 31.46 -999 ? MG MG B 202 >ARG^B 12 99.14 23.17 13.60 101.41 22.64 15.61 100.27 22.90 14.60 2 0 24.48 -999 ? MG MG B 202 >PHE^B 13 95.29 26.44 20.45 94.42 26.26 23.11 94.85 26.35 21.78 3 0 19.32 -999 ? MG MG B 202 >LEU^B 14 91.76 28.89 16.30 89.99 30.17 16.31 90.88 29.53 16.31 3 0 26.17 -999 ? MG MG B 202 >SER^B 15 91.29 24.96 14.12 93.39 23.98 13.44 92.34 24.47 13.78 2 0 27.74 -999 ? MG MG B 202 >ALA^B 16 91.06 22.13 16.66 92.13 21.73 17.63 91.59 21.93 17.14 2 0 24.51 -999 ? MG MG B 202 >LEU^B 17 88.18 25.18 19.00 89.86 25.30 20.40 89.02 25.24 19.70 3 0 23.78 -999 ? MG MG B 202 >HIS^B 19 82.89 23.00 20.45 83.61 24.19 22.02 83.25 23.59 21.23 3 0 26.24 -999 ? MG MG B 202 >CYH^B 20 82.70 26.52 17.65 85.14 27.54 18.60 83.92 27.03 18.13 2 0 26.95 -999 ? MG MG B 202 >GLN^B 21 86.01 25.04 13.83 87.69 26.00 12.94 86.85 25.52 13.38 2 0 30.31 -999 ? MG MG B 202 >VAL^B 22 80.51 27.60 13.20 79.17 26.64 14.62 79.84 27.12 13.91 3 0 33.90 -999 ? MG MG B 202 >LEU^B 23 81.58 31.16 16.23 80.15 31.01 17.92 80.87 31.09 17.07 3 0 30.25 -999 ? MG MG A 201 >GLY^B 24 83.75 31.91 12.15 83.86 31.93 12.97 83.81 31.92 12.56 1 0 33.54 -999 ? MG MG B 202 >LEU^B 25 86.36 32.18 16.22 85.06 32.72 17.91 85.71 32.45 17.07 3 0 28.59 -999 ? MG MG B 202 >THR^B 26 89.59 34.10 13.49 88.94 35.24 11.75 89.27 34.67 12.62 2 0 32.26 -999 ? MG MG B 202 >VAL^B 27 92.98 35.04 14.96 94.47 33.77 15.96 93.73 34.41 15.46 3 0 27.07 -999 ? MG MG B 202 >GLU^B 28 91.50 39.50 14.23 90.90 39.61 12.21 91.20 39.56 13.22 2 0 32.73 -999 ? MG MG B 202 >ALA^B 29 97.17 38.96 15.79 97.33 40.45 16.09 97.25 39.70 15.94 2 0 28.28 -999 ? MG MG B 202 >ALA^B 30 99.38 36.99 18.19 99.21 35.51 17.99 99.29 36.25 18.09 2 0 24.08 -999 ? MG MG B 202 >ASP^B 31 103.17 39.13 19.16 102.02 40.74 19.90 102.59 39.93 19.53 2 0 24.97 -999 ? MG MG B 202 >GLU^B 32 106.44 39.80 22.84 106.20 40.41 20.81 106.32 40.11 21.82 2 0 24.49 -999 ? MG MG B 202 >GLY^B 34 99.06 38.98 23.65 99.44 38.97 22.94 99.25 38.97 23.29 1 0 21.09 -999 ? MG MG B 202 >LEU^B 35 96.16 36.21 21.78 95.43 34.52 20.62 95.80 35.36 21.20 3 0 21.79 -999 ? MG MG B 202 >THR^B 36 93.45 39.10 19.35 93.39 41.23 18.89 93.42 40.17 19.12 2 0 27.33 -999 ? MG MG B 202 >LEU^B 37 89.96 35.88 18.74 91.00 34.03 19.23 90.48 34.96 18.98 3 0 25.39 -999 ? MG MG B 202 >ARG^B 38 86.83 40.09 12.75 86.66 39.13 9.86 86.75 39.61 11.30 2 0 36.09 -999 ? MG MG B 202 >LEU^B 39 83.13 36.85 17.32 81.23 35.92 17.75 82.18 36.38 17.53 3 0 28.37 -999 ? MG MG A 201 >PRO^B 40 82.70 35.91 11.99 82.53 37.73 13.29 82.61 36.82 12.64 3 0 32.34 -999 ? MG MG A 201 >TYR^B 41 77.73 41.43 12.74 76.77 42.81 10.52 77.25 42.12 11.63 3 0 29.80 -999 ? MG MG A 201 >SER^B 42 76.66 37.54 11.13 78.33 37.12 9.42 77.49 37.33 10.27 2 0 33.20 -999 ? MG MG A 201 >GLN^B 43 79.51 33.69 11.09 78.41 32.32 9.87 78.96 33.00 10.48 2 0 34.44 -999 ? MG MG A 201 >ALA^B 44 76.16 34.85 16.15 77.27 35.35 17.03 76.71 35.10 16.59 2 0 26.80 -999 ? MG MG A 201 >ILE^B 45 72.17 37.06 14.29 72.23 38.49 14.29 72.20 37.77 14.29 3 0 26.81 -999 ? MG MG A 201 >ILE^B 46 70.36 35.84 19.58 69.88 36.18 21.02 70.12 36.01 20.30 3 0 21.64 -999 ? MG MG A 201 >GLY^B 47 66.54 36.67 16.81 67.24 36.47 16.40 66.89 36.57 16.60 1 0 24.23 -999 ? MG MG A 201 >ASN^B 48 65.14 39.39 13.12 64.63 39.67 11.06 64.89 39.53 12.09 2 0 28.88 -999 ? MG MG A 201 >PRO^B 49 68.12 36.79 9.81 68.68 38.27 11.44 68.40 37.53 10.62 3 0 29.83 -999 ? MG MG A 201 >GLU^B 50 66.49 43.35 8.51 64.48 44.08 8.38 65.49 43.72 8.45 2 0 30.93 -999 ? MG MG A 201 >SER^B 51 68.66 43.25 13.54 66.35 43.22 14.29 67.51 43.24 13.92 2 0 25.04 -999 ? MG MG A 201 >GLY^B 52 72.40 42.49 13.84 71.90 42.37 14.44 72.15 42.43 14.14 1 0 26.24 -999 ? MG MG A 201 >VAL^B 53 72.29 41.62 17.55 70.85 42.21 19.09 71.57 41.92 18.32 3 0 21.83 -999 ? MG MG A 201 >VAL^B 54 75.08 39.36 18.82 77.24 39.42 18.54 76.16 39.39 18.68 3 0 23.58 -999 ? MG MG A 201 >HIS^B 55 73.70 34.24 22.03 73.21 33.10 23.73 73.46 33.67 22.88 3 0 21.55 -999 ? MG MG A 201 >GLY^B 56 76.02 36.91 24.67 75.95 36.27 24.18 75.99 36.59 24.43 1 0 19.54 -999 ? MG MG A 201 >GLY^B 57 76.98 33.23 24.61 77.15 33.78 24.04 77.06 33.51 24.33 1 0 21.98 -999 ? MG MG A 201 >ALA^B 58 78.91 33.82 21.39 78.36 34.54 20.13 78.64 34.18 20.76 2 0 25.16 -999 ? MG MG A 201 >ILE^B 59 80.56 37.82 23.63 80.40 39.10 23.60 80.48 38.46 23.61 3 0 22.19 -999 ? MG MG A 201 >THR^B 60 81.66 34.01 26.01 80.58 32.98 27.59 81.12 33.50 26.80 2 0 22.36 -999 ? MG MG A 201 >THR^B 61 83.04 31.51 23.54 82.21 30.05 22.19 82.62 30.78 22.87 2 0 26.58 -999 ? MG MG B 202 >LEU^B 62 84.54 35.61 21.38 85.72 37.18 20.41 85.13 36.40 20.90 3 0 27.28 -999 ? MG MG B 202 >MET?B 63 86.59 35.23 25.22 84.22 38.44 26.25 85.41 36.84 25.73 2 0 23.15 -999 ? MG MG A 201 >ASP^B 64 85.86 30.70 26.90 86.65 28.92 27.70 86.26 29.81 27.30 2 0 19.52 -999 ? MG MG B 202 >THR^B 65 88.69 30.86 23.47 87.98 30.16 21.56 88.33 30.51 22.51 2 0 23.24 -999 ? MG MG B 202 >THR^B 66 90.79 34.03 23.36 90.48 36.09 22.74 90.63 35.06 23.05 2 0 22.89 -999 ? MG MG B 202 >CYH^B 67 92.07 33.53 26.95 90.52 35.20 28.61 91.29 34.37 27.78 2 0 18.40 -999 ? MG MG B 202 >GLY^B 68 92.74 29.84 26.35 93.00 30.52 25.96 92.87 30.18 26.16 1 0 16.67 -999 ? MG MG B 202 >ILE^B 69 94.09 30.74 21.82 93.87 30.31 20.41 93.98 30.52 21.11 3 0 20.80 -999 ? MG MG B 202 >SER^B 70 96.66 33.41 24.63 95.78 34.28 26.72 96.22 33.85 25.68 2 0 16.71 -999 ? MG MG B 202 >THR^B 71 98.62 30.83 26.61 97.31 29.20 27.19 97.96 30.01 26.90 2 0 13.83 -999 ? MG MG B 202 >VAL^B 72 100.56 30.28 23.36 99.26 30.38 21.56 99.91 30.33 22.46 3 0 18.08 -999 ? MG MG B 202 >CYH^B 73 102.16 33.62 24.10 100.16 35.35 23.23 101.16 34.49 23.67 2 0 19.27 -999 ? MG MG B 202 >VAL^B 74 103.99 32.23 27.10 102.67 32.91 28.70 103.33 32.57 27.90 3 0 13.89 -999 ? MG MG B 202 >LEU^B 75 103.27 27.56 26.38 102.16 27.03 28.16 102.72 27.29 27.27 3 0 12.76 -999 ? MG MG B 202 >PRO^B 76 108.10 26.31 26.84 107.04 27.43 25.18 107.57 26.87 26.01 3 0 15.15 -999 ? MG MG B 202 >ASP^B 77 105.97 22.86 23.85 108.00 22.72 24.33 106.99 22.79 24.09 2 0 17.10 -999 ? MG MG B 202 >PHE^B 78 100.54 23.38 19.86 97.83 23.19 19.20 99.18 23.28 19.53 3 0 20.64 -999 ? MG MG B 202 >GLU^B 79 100.71 23.36 26.32 101.45 22.76 28.20 101.08 23.06 27.26 2 0 12.06 -999 ? MG MG B 202 >ILE^B 80 94.95 22.14 24.05 94.04 21.86 23.12 94.50 22.00 23.58 3 0 18.17 -999 ? MG MG B 202 >CYH^B 81 95.36 24.22 28.36 97.93 25.40 28.62 96.65 24.81 28.49 2 0 11.85 -999 ? MG MG B 202 >PRO^B 82 93.01 21.18 30.29 92.72 23.35 29.81 92.86 22.26 30.05 3 0 13.60 -999 ? MG MG B 202 >THR^B 83 90.04 26.23 31.63 88.58 27.57 30.75 89.31 26.90 31.19 2 0 15.99 -999 ? MG MG B 202 >LEU^B 84 91.35 26.44 36.27 92.88 24.90 36.43 92.11 25.67 36.35 3 0 10.11 -999 ? MG MG B 202 >ASP^B 85 88.68 30.12 37.36 89.01 28.68 38.87 88.85 29.40 38.11 2 0 12.94 -999 ? MG MG B 202 >LEU^B 86 86.00 31.62 32.56 86.28 32.34 30.54 86.14 31.98 31.55 3 0 18.62 -999 ? MG MG B 202 >ARG^B 87 85.72 37.96 37.32 87.02 40.71 37.05 86.37 39.33 37.18 2 0 21.06 -999 ? MG MG B 202 >ILE^B 88 82.55 37.04 30.93 82.68 36.68 29.45 82.61 36.86 30.19 3 0 20.53 -999 ? MG MG A 201 >ASP^B 89 82.24 41.55 34.51 82.43 40.13 36.06 82.33 40.84 35.29 2 0 17.20 -999 ? MG MG A 201 >TYR^B 90 78.58 41.31 29.11 79.07 39.15 27.43 78.82 40.23 28.27 3 0 17.39 -999 ? MG MG A 201 >MET?B 91 80.12 46.73 30.97 82.54 47.10 33.13 81.33 46.92 32.05 2 0 17.14 -999 ? MG MG A 201 >HIS^B 92 79.09 49.08 26.78 80.77 49.15 25.52 79.93 49.12 26.15 3 0 18.94 -999 ? MG MG A 201 >PRO^B 93 74.14 47.74 25.75 75.93 46.40 25.99 75.03 47.07 25.87 3 0 15.82 -999 ? MG MG A 201 >ALA^B 94 77.42 45.20 22.16 77.71 43.80 21.59 77.57 44.50 21.88 2 0 20.94 -999 ? MG MG A 201 >GLU^B 95 77.75 49.67 19.47 79.44 50.75 18.80 78.59 50.21 19.14 2 0 24.58 -999 ? MG MG A 201 >PRO^B 96 72.85 47.35 16.90 74.73 46.12 17.04 73.79 46.73 16.97 3 0 23.37 -999 ? MG MG A 201 >HIS^B 97 73.74 45.56 11.92 71.68 45.18 11.77 72.71 45.37 11.85 3 0 28.03 -999 ? MG MG A 201 >LYS^B 98 79.54 45.17 14.26 79.76 51.36 15.67 79.65 48.27 14.97 2 0 27.50 -999 ? MG MG A 201 >ASP^B 99 83.39 42.26 13.70 82.89 41.29 11.89 83.14 41.77 12.79 2 0 32.15 -999 ? MG MG A 201 >VAL^B 100 83.36 41.71 18.16 82.01 41.33 19.86 82.68 41.52 19.01 3 0 26.21 -999 ? MG MG A 201 >TYR^B 101 87.95 42.95 17.11 87.79 43.41 14.38 87.87 43.18 15.75 3 0 31.80 -999 ? MG MG A 201 >GLY^B 102 88.56 39.69 21.92 89.09 39.96 21.29 88.82 39.82 21.60 1 0 26.20 -999 ? MG MG B 202 >PHE^B 103 93.91 42.03 23.83 96.51 42.15 24.80 95.21 42.09 24.31 3 0 23.44 -999 ? MG MG B 202 >ALA^B 104 93.84 38.59 26.10 93.27 37.23 26.44 93.56 37.91 26.27 2 0 19.53 -999 ? MG MG B 202 >GLU^B 105 99.23 40.28 28.00 99.80 42.31 28.34 99.51 41.30 28.17 2 0 20.25 -999 ? MG MG B 202 >CYH^B 106 98.85 36.24 30.21 98.97 33.86 28.81 98.91 35.05 29.51 2 0 13.97 -999 ? MG MG B 202 >TYR^B 107 97.64 38.53 34.76 95.60 37.49 36.33 96.62 38.01 35.54 3 0 13.90 -999 ? MG MG B 202 >ARG^B 108 100.65 34.45 39.34 98.28 36.21 40.10 99.47 35.33 39.72 2 0 10.95 -999 ? MG MG B 202 >VAL^B 109 102.53 31.87 34.87 103.33 31.44 32.88 102.93 31.65 33.87 3 0 8.52 -999 ? MG MG B 202 >THR^B 110 103.16 29.23 37.51 101.43 29.23 38.84 102.29 29.23 38.18 2 0 -3.62 -999 ? MG MG B 202s >PRO^B 111 105.80 25.97 38.82 104.34 26.35 37.18 105.07 26.16 38.00 3 0 3.98 -999 ? MG MG B 202 >ASN^B 112 100.63 23.14 37.15 102.17 21.66 37.10 101.40 22.40 37.13 2 0 -5.00 -999 ? MG MG B 202s >VAL^B 113 98.65 27.33 35.96 97.22 27.45 37.60 97.94 27.39 36.78 3 0 5.06 -999 ? MG MG B 202 >ILE^B 114 98.67 30.17 32.09 99.53 30.29 30.92 99.10 30.23 31.50 3 0 9.81 -999 ? MG MG B 202 >PHE^B 115 96.58 33.08 37.06 96.44 31.35 39.23 96.51 32.21 38.15 3 0 8.39 -999 ? MG MG B 202 >THR^B 116 95.17 35.67 31.82 94.56 34.94 29.89 94.86 35.31 30.86 2 0 15.28 -999 ? MG MG B 202 >ARG^B 117 92.98 41.92 33.90 91.88 44.77 33.59 92.43 43.34 33.74 2 0 22.25 -999 ? MG MG B 202 >GLY^B 118 91.45 40.37 28.45 90.93 40.44 29.10 91.19 40.40 28.78 1 0 21.13 -999 ? MG MG B 202 >PHE^B 119 89.68 44.27 26.71 91.70 45.43 25.19 90.69 44.85 25.95 3 0 26.02 -999 ? MG MG B 202 >ALA^B 120 85.79 42.22 24.36 84.48 41.46 24.33 85.13 41.84 24.35 2 0 23.70 -999 ? MG MG A 201 >TYR^B 121 87.78 45.78 21.64 89.85 44.96 19.98 88.81 45.37 20.81 3 0 28.87 -999 ? MG MG A 201 >GLN^B 122 81.83 45.43 18.94 79.74 45.69 19.00 80.79 45.56 18.97 2 0 24.10 -999 ? MG MG A 201 >ASP^B 123 84.53 51.10 17.56 82.91 51.08 16.22 83.72 51.09 16.89 2 0 28.65 -999 ? MG MG A 201 >PRO^B 125 91.51 48.48 21.39 89.54 49.19 22.18 90.52 48.84 21.79 3 0 29.75 -999 ? MG MG A 201 >GLY^B 126 88.88 52.03 24.75 88.33 51.42 24.71 88.61 51.72 24.73 1 0 27.26 -999 ? MG MG A 201 >GLN^B 127 84.71 53.74 25.49 84.73 54.56 23.53 84.72 54.15 24.51 2 0 25.48 -999 ? MG MG A 201 >PRO^B 128 86.95 47.80 27.83 85.42 48.23 26.24 86.18 48.02 27.03 3 0 23.17 -999 ? MG MG A 201 >ILE^B 129 81.63 44.61 24.98 80.79 44.16 23.93 81.21 44.38 24.45 3 0 20.84 -999 ? MG MG A 201 >ALA^B 130 83.20 43.09 28.77 82.60 41.75 28.33 82.90 42.42 28.55 2 0 19.82 -999 ? MG MG A 201 >HIS^B 131 86.91 44.58 31.94 87.25 46.56 31.33 87.08 45.57 31.64 3 0 21.87 -999 ? MG MG A 201 >VAL^B 132 87.41 38.77 31.43 86.81 37.53 29.75 87.11 38.15 30.59 3 0 21.19 -999 ? MG MG B 202 >VAL^B 133 89.88 36.93 33.67 90.77 37.89 35.43 90.33 37.41 34.55 3 0 17.05 -999 ? MG MG B 202 >GLY^B 134 90.62 33.23 33.46 91.31 33.64 33.63 90.97 33.44 33.54 1 0 14.74 -999 ? MG MG B 202 >ALA^B 135 93.04 30.60 34.74 93.02 30.38 36.24 93.03 30.49 35.49 2 0 10.38 -999 ? MG MG B 202 >PHE^B 136 93.52 28.92 30.65 91.31 30.28 29.65 92.41 29.60 30.15 3 0 13.91 -999 ? MG MG B 202 >MET?B 137 95.88 24.35 33.51 96.09 21.99 36.31 95.98 23.17 34.91 2 0 7.56 -999 ? MG MG B 202 >ARG^B 138 101.96 26.06 32.63 104.99 26.44 32.37 103.47 26.25 32.50 2 0 8.27 -999 ? MG MG B 202 >MET?B 139 98.78 19.69 31.53 95.75 19.11 32.70 97.27 19.40 32.11 2 0 11.40 -999 ? MG MG B 202 >PRO^C 5 96.78 18.10 66.86 96.58 20.26 66.14 96.68 19.18 66.50 3 0 27.86 -999 ? MG MG B 202 >LEU^C 6 95.25 20.33 61.47 94.81 20.29 59.37 95.03 20.31 60.42 3 0 22.24 -999 ? MG MG B 202 >LEU^C 7 92.75 22.44 65.68 90.90 23.18 66.57 91.82 22.81 66.12 3 0 28.15 -999 ? MG MG B 202 >GLU^C 8 97.00 23.16 68.27 98.50 22.38 69.57 97.75 22.77 68.92 2 0 30.04 -999 ? MG MG B 202 >ARG^C 9 100.16 24.36 60.40 99.14 22.22 58.46 99.65 23.29 59.43 2 0 19.07 -999 ? MG MG B 202 >ALA^C 10 94.57 27.38 62.02 93.27 26.59 61.99 93.92 26.99 62.01 2 0 23.63 -999 ? MG MG B 202 >ARG^C 11 92.74 27.31 68.00 90.63 25.57 69.41 91.69 26.44 68.70 2 0 31.50 -999 ? MG MG B 202 >ARG^C 12 101.62 29.64 64.02 104.48 29.52 62.93 103.05 29.58 63.47 2 0 23.53 -999 ? MG MG B 202 >PHE^C 13 96.83 31.45 58.94 96.77 32.36 56.31 96.80 31.90 57.63 3 0 19.38 -999 ? MG MG B 202 >LEU^C 14 92.81 32.81 63.21 90.83 33.61 63.15 91.82 33.21 63.18 3 0 26.33 -999 ? MG MG B 202 >SER^C 15 95.80 35.35 65.43 95.48 34.00 67.43 95.64 34.68 66.43 2 0 29.39 -999 ? MG MG B 202 >ALA^C 16 98.29 36.88 63.00 99.10 36.10 61.97 98.70 36.49 62.49 2 0 24.51 -999 ? MG MG B 202 >LEU^C 17 94.23 37.83 60.54 94.77 36.26 59.08 94.50 37.04 59.81 3 0 23.97 -999 ? MG MG B 202 >ARG^C 18 97.88 41.37 65.50 97.10 42.14 68.36 97.49 41.76 66.93 2 0 33.16 -999 ? MG MG B 202 >HIS^C 19 92.93 43.10 59.18 93.09 41.74 57.59 93.01 42.42 58.38 3 0 26.33 -999 ? MG MG B 202 >CYH^C 20 90.06 40.67 61.93 90.84 39.06 59.78 90.45 39.87 60.86 2 0 26.23 -999 ? MG MG B 202 >GLN^C 21 92.32 40.90 67.67 93.89 41.96 68.65 93.10 41.43 68.16 2 0 33.90 -999 ? MG MG B 202 >VAL^C 22 87.89 43.24 65.98 87.84 45.29 65.26 87.87 44.26 65.62 3 0 34.00 -999 ? MG MG A 201 >LEU^C 23 85.44 40.13 63.26 84.85 41.27 61.51 85.15 40.70 62.38 3 0 30.20 -999 ? MG MG A 201 >GLY^C 24 86.16 38.00 67.40 86.14 37.89 66.58 86.15 37.95 66.99 1 0 33.83 -999 ? MG MG B 202 >LEU^C 25 87.29 35.54 63.42 86.33 36.53 61.69 86.81 36.04 62.55 3 0 28.94 -999 ? MG MG B 202 >THR^C 26 87.36 31.84 66.08 86.02 31.80 67.76 86.69 31.82 66.92 2 0 32.49 -999 ? MG MG B 202 >VAL^C 27 88.28 28.52 64.50 90.10 27.95 63.44 89.19 28.24 63.97 3 0 27.20 -999 ? MG MG B 202 >GLU^C 28 82.96 26.30 65.57 83.08 27.84 67.05 83.02 27.07 66.31 2 0 32.94 -999 ? MG MG B 202 >ALA^C 29 87.01 22.97 63.61 85.88 21.99 63.30 86.44 22.48 63.45 2 0 28.45 -999 ? MG MG B 202 >ALA^C 30 89.84 21.98 61.24 90.96 22.94 61.53 90.40 22.46 61.38 2 0 24.28 -999 ? MG MG B 202 >ASP^C 31 89.64 17.47 59.91 87.73 17.93 59.14 88.69 17.70 59.52 2 0 24.98 -999 ? MG MG B 202 >GLY^C 34 88.34 21.36 55.63 88.37 21.03 56.37 88.35 21.19 56.00 1 0 21.05 -999 ? MG MG B 202 >LEU^C 35 88.98 25.35 57.61 90.07 26.72 58.88 89.53 26.03 58.25 3 0 21.97 -999 ? MG MG B 202 >THR^C 36 85.06 26.00 59.85 83.12 25.14 60.24 84.09 25.57 60.05 2 0 27.49 -999 ? MG MG B 202 >LEU^C 37 86.11 30.66 60.64 88.24 30.59 60.21 87.17 30.62 60.42 3 0 25.56 -999 ? MG MG B 202 >ARG^C 38 80.99 30.87 66.66 81.52 31.97 69.48 81.25 31.42 68.07 2 0 36.29 -999 ? MG MG B 202 >LEU^C 39 81.45 35.86 62.02 81.18 38.00 61.78 81.31 36.93 61.90 3 0 28.56 -999 ? MG MG A 201 >PRO^C 40 81.94 36.64 67.52 80.47 35.89 65.99 81.21 36.26 66.76 3 0 32.70 -999 ? MG MG A 201 >TYR^C 41 74.86 37.92 66.69 73.17 37.95 68.91 74.01 37.94 67.80 3 0 30.65 -999 ? MG MG A 201 >SER^C 42 77.65 40.79 68.36 79.00 39.67 70.03 78.33 40.23 69.20 2 0 33.86 -999 ? MG MG A 201 >GLN^C 43 82.63 40.57 68.30 82.90 42.36 69.45 82.76 41.47 68.88 2 0 34.58 -999 ? MG MG A 201 >ALA^C 44 79.64 42.63 63.28 79.73 41.43 62.35 79.68 42.03 62.82 2 0 27.03 -999 ? MG MG A 201 >ILE^C 45 75.97 45.12 65.37 74.73 44.33 65.53 75.35 44.72 65.45 3 0 27.73 -999 ? MG MG A 201 >ILE^C 46 75.03 47.18 60.08 75.79 48.16 59.75 75.41 47.67 59.91 3 0 22.61 -999 ? MG MG A 201 >GLY^C 47 72.78 49.79 63.33 73.32 49.36 63.75 73.05 49.58 63.54 1 0 25.23 -999 ? MG MG A 201 >ASN^C 48 69.78 49.35 67.10 69.03 51.34 67.08 69.40 50.34 67.09 2 0 28.52 -999 ? MG MG A 201 >PRO^C 49 73.86 48.24 70.10 72.83 47.12 68.43 73.35 47.68 69.27 3 0 30.89 -999 ? MG MG A 201 >GLU^C 50 67.92 47.10 70.28 68.75 49.03 70.42 68.33 48.06 70.35 2 0 31.47 -999 ? MG MG A 201 >SER^C 51 68.65 44.60 66.47 67.36 46.53 65.77 68.01 45.56 66.12 2 0 26.61 -999 ? MG MG A 201 >GLY^C 52 71.37 42.00 65.89 71.11 42.48 65.30 71.24 42.24 65.59 1 0 27.42 -999 ? MG MG A 201 >VAL^C 53 71.76 42.67 62.16 70.56 43.81 60.73 71.16 43.24 61.44 3 0 22.90 -999 ? MG MG A 201 >VAL^C 54 75.06 41.30 60.84 76.00 39.32 61.00 75.53 40.31 60.92 3 0 24.19 -999 ? MG MG A 201 >HIS^C 55 78.75 45.29 57.86 79.77 46.34 56.36 79.26 45.82 57.11 3 0 21.97 -999 ? MG MG A 201 >GLY^C 56 77.66 42.01 55.06 78.19 42.41 55.56 77.92 42.21 55.31 1 0 19.77 -999 ? MG MG A 201 >GLY^C 57 81.25 43.22 55.10 80.90 42.71 55.63 81.07 42.96 55.36 1 0 21.83 -999 ? MG MG A 201 >ALA^C 58 82.01 41.13 58.19 81.27 41.23 59.51 81.64 41.18 58.85 2 0 25.54 -999 ? MG MG A 201 >ILE^C 59 79.26 37.82 55.97 77.96 37.13 56.09 78.61 37.48 56.03 3 0 22.39 -999 ? MG MG A 201 >THR^C 60 82.91 38.81 53.42 82.76 40.07 51.67 82.84 39.44 52.55 2 0 21.29 -999 ? MG MG A 201 >THR^C 61 85.87 39.03 55.76 86.66 40.49 57.15 86.27 39.76 56.45 2 0 27.16 -999 ? MG MG B 202 >LEU^C 62 83.33 35.46 57.90 82.63 33.62 58.81 82.98 34.54 58.35 3 0 27.65 -999 ? MG MG B 202 >MET?C 63 84.60 33.97 54.01 82.33 31.89 54.42 83.46 32.93 54.22 2 0 24.89 -999 ? MG MG B 202 >ASP^C 64 88.16 36.94 52.67 90.09 37.35 51.86 89.13 37.15 52.26 2 0 20.24 -999 ? MG MG B 202 >THR^C 65 89.63 34.53 56.06 89.79 35.59 57.92 89.71 35.06 56.99 2 0 23.69 -999 ? MG MG B 202 >THR^C 66 88.17 30.99 55.97 86.24 30.22 56.61 87.20 30.60 56.29 2 0 23.13 -999 ? MG MG B 202 >CYH^C 67 89.43 30.41 52.41 87.39 30.66 50.60 88.41 30.54 51.51 2 0 18.45 -999 ? MG MG B 202 >GLY^C 68 92.85 31.91 53.17 92.46 31.33 53.57 92.65 31.62 53.37 1 0 17.05 -999 ? MG MG B 202 >ILE^C 69 92.77 30.13 57.63 92.92 30.61 59.00 92.84 30.37 58.32 3 0 20.91 -999 ? MG MG B 202 >SER^C 70 91.83 26.56 54.79 91.05 27.01 52.56 91.44 26.79 53.68 2 0 16.53 -999 ? MG MG B 202 >THR^C 71 95.23 26.22 53.12 95.92 28.18 52.52 95.57 27.20 52.82 2 0 14.06 -999 ? MG MG B 202 >VAL^C 72 96.45 24.71 56.40 95.64 25.82 58.10 96.05 25.27 57.25 3 0 18.23 -999 ? MG MG B 202 >CYH^C 73 94.45 21.59 55.58 91.92 22.60 56.13 93.19 22.10 55.86 2 0 19.17 -999 ? MG MG B 202 >VAL^C 74 96.88 20.72 52.76 95.77 21.50 51.04 96.33 21.11 51.90 3 0 13.92 -999 ? MG MG B 202 >LEU^C 75 100.22 23.96 53.85 100.65 25.18 52.12 100.43 24.57 52.99 3 0 13.21 -999 ? MG MG B 202 >PRO^C 76 104.20 21.06 53.84 102.39 20.81 55.15 103.29 20.93 54.50 3 0 15.49 -999 ? MG MG B 202 >ASP^C 77 105.50 23.37 58.05 105.99 23.36 60.13 105.74 23.37 59.09 2 0 20.86 -999 ? MG MG B 202 >PHE^C 78 102.32 28.90 60.00 101.12 31.40 60.16 101.72 30.15 60.08 3 0 20.67 -999 ? MG MG B 202 >GLU^C 79 103.58 29.51 53.38 103.71 28.63 51.46 103.65 29.07 52.42 2 0 12.12 -999 ? MG MG B 202 >ILE^C 80 100.55 33.62 55.55 100.21 34.60 56.43 100.38 34.11 55.99 3 0 18.18 -999 ? MG MG B 202 >CYH^C 81 99.40 32.02 51.16 99.46 29.22 51.14 99.43 30.62 51.15 2 0 11.96 -999 ? MG MG B 202 >PRO^C 82 101.17 35.43 49.19 99.09 34.74 49.63 100.13 35.08 49.41 3 0 13.41 -999 ? MG MG B 202 >THR^C 83 95.48 35.84 47.53 93.61 36.62 48.29 94.54 36.23 47.91 2 0 15.88 -999 ? MG MG B 202 >LEU^C 84 95.85 34.05 43.03 97.90 33.35 42.96 96.87 33.70 43.00 3 0 9.74 -999 ? MG MG B 202 >ASP^C 85 91.32 35.09 41.87 90.42 33.16 41.83 90.87 34.13 41.85 2 0 13.53 -999 ? MG MG B 202 >LEU^C 86 88.39 36.67 46.38 88.13 36.02 48.44 88.26 36.34 47.41 3 0 18.60 -999 ? MG MG B 202 >ARG^C 87 85.38 34.78 40.76 88.09 35.81 39.74 86.74 35.29 40.25 2 0 16.82 -999 ? MG MG B 202 >ILE^C 88 82.33 36.87 47.69 82.49 37.09 49.15 82.41 36.98 48.42 3 0 20.44 -999 ? MG MG A 201 >ASP^C 89 77.94 34.66 44.61 79.13 35.10 42.93 78.53 34.88 43.77 2 0 17.04 -999 ? MG MG A 201 >TYR^C 90 76.32 37.92 49.90 78.28 38.45 51.78 77.30 38.19 50.84 3 0 17.66 -999 ? MG MG A 201 >MET?C 91 72.34 34.02 47.97 73.49 31.77 45.87 72.91 32.90 46.92 2 0 17.15 -999 ? MG MG A 201 >HIS^C 92 69.64 33.65 51.97 70.19 32.16 53.33 69.92 32.91 52.65 3 0 19.06 -999 ? MG MG A 201 >PRO^C 93 68.63 39.08 52.86 70.39 37.68 53.17 69.51 38.38 53.01 3 0 16.05 -999 ? MG MG A 201 >ALA^C 94 71.78 36.69 57.13 73.06 37.06 57.88 72.42 36.88 57.51 2 0 21.71 -999 ? MG MG A 201 >GLU^C 95 68.05 34.02 59.38 67.57 32.11 60.14 67.81 33.06 59.76 2 0 25.15 -999 ? MG MG A 201 >PRO^C 96 67.38 39.18 62.55 69.41 38.27 62.26 68.39 38.72 62.41 3 0 24.40 -999 ? MG MG A 201 >HIS^C 97 68.97 38.81 67.30 68.48 40.78 67.81 68.72 39.79 67.56 3 0 29.12 -999 ? MG MG A 201 >LYS^C 98 72.72 34.32 65.01 67.93 30.62 63.21 70.32 32.47 64.11 2 0 28.55 -999 ? MG MG A 201 >ASP^C 99 77.26 32.72 65.44 77.54 33.38 67.42 77.40 33.05 66.43 2 0 32.81 -999 ? MG MG A 201 >VAL^C 100 77.67 33.17 61.08 77.30 34.60 59.48 77.49 33.89 60.28 3 0 26.65 -999 ? MG MG A 201 >TYR^C 101 78.96 28.62 62.12 78.21 28.50 64.80 78.58 28.56 63.46 3 0 32.20 -999 ? MG MG A 201 >GLY^C 102 82.30 29.88 57.42 82.33 29.28 58.00 82.32 29.58 57.71 1 0 26.39 -999 ? MG MG B 202 >PHE^C 103 82.98 24.18 55.31 84.24 21.85 54.51 83.61 23.02 54.91 3 0 23.59 -999 ? MG MG B 202 >ALA^C 104 86.11 26.05 53.27 86.97 27.29 53.10 86.54 26.67 53.18 2 0 19.76 -999 ? MG MG B 202 >GLU^C 105 86.07 22.02 50.31 84.90 20.29 50.02 85.48 21.15 50.17 2 0 20.28 -999 ? MG MG B 202 >CYH^C 106 90.80 22.93 49.31 92.90 23.98 50.83 91.85 23.45 50.07 2 0 14.08 -999 ? MG MG B 202 >TYR^C 107 88.39 22.86 44.71 88.42 25.12 43.07 88.40 23.99 43.89 3 0 13.89 -999 ? MG MG B 202 >ARG^C 108 93.47 22.30 40.26 90.68 23.33 39.49 92.08 22.82 39.87 2 0 11.17 -999 ? MG MG B 202 >VAL^C 109 96.50 21.76 44.87 97.08 21.33 46.93 96.79 21.54 45.90 3 0 8.77 -999 ? MG MG B 202 >THR^C 110 99.21 22.43 42.28 98.32 23.84 40.91 98.76 23.13 41.60 2 0 -3.93 -999 ? MG MG B 202s >PRO^C 111 103.36 21.96 40.90 102.28 22.87 42.63 102.82 22.41 41.77 3 0 4.04 -999 ? MG MG B 202 >ASN^C 112 103.26 27.68 42.79 105.28 27.04 43.00 104.27 27.36 42.90 2 0 -5.01 -999 ? MG MG B 202s >VAL^C 113 98.53 27.27 43.72 97.61 28.46 42.10 98.07 27.87 42.91 3 0 5.09 -999 ? MG MG B 202 >ILE^C 114 96.06 26.19 47.65 96.42 25.70 48.88 96.24 25.94 48.26 3 0 9.94 -999 ? MG MG B 202 >PHE^C 115 92.57 26.18 42.59 94.14 26.76 40.37 93.35 26.47 41.48 3 0 8.41 -999 ? MG MG B 202 >THR^C 116 89.48 26.44 47.82 90.61 27.56 49.28 90.04 27.00 48.55 2 0 14.56 -999 ? MG MG B 202 >ARG^C 117 83.53 23.93 46.37 84.98 21.20 46.51 84.25 22.57 46.44 2 0 18.45 -999 ? MG MG B 202 >GLY^C 118 83.49 27.57 50.80 83.14 27.92 50.11 83.31 27.74 50.45 1 0 21.21 -999 ? MG MG B 202 >PHE^C 119 79.07 26.81 52.34 79.02 24.39 53.73 79.04 25.60 53.03 3 0 26.09 -999 ? MG MG B 202 >ALA^C 120 78.70 31.04 54.85 78.86 32.56 54.90 78.78 31.80 54.87 2 0 24.04 -999 ? MG MG A 201 >TYR^C 121 76.52 27.49 57.38 78.17 25.89 58.97 77.35 26.69 58.17 3 0 29.13 -999 ? MG MG A 201 >GLN^C 122 73.64 32.66 60.19 72.43 34.40 60.12 73.03 33.53 60.16 2 0 24.63 -999 ? MG MG A 201 >ASP^C 123 70.32 27.07 61.31 69.41 28.59 62.47 69.86 27.83 61.89 2 0 29.20 -999 ? MG MG A 201 >PRO^C 125 76.20 22.84 57.13 74.62 24.34 56.57 75.41 23.59 56.85 3 0 29.85 -999 ? MG MG A 201 >GLY^C 126 71.64 23.86 54.17 72.05 24.58 54.09 71.85 24.22 54.13 1 0 27.18 -999 ? MG MG A 201 >GLN^C 127 68.60 27.43 53.40 67.37 25.70 53.29 67.98 26.56 53.35 2 0 24.71 -999 ? MG MG A 201 >PRO^C 128 74.89 27.88 50.89 73.60 28.66 52.54 74.25 28.27 51.72 3 0 23.01 -999 ? MG MG A 201 >ILE^C 129 74.64 33.73 54.12 74.72 34.37 55.19 74.68 34.05 54.66 3 0 21.16 -999 ? MG MG A 201 >ALA^C 130 76.81 33.03 50.32 77.63 34.23 50.73 77.22 33.63 50.53 2 0 19.84 -999 ? MG MG A 201 >HIS^C 131 77.66 29.40 47.16 76.19 28.00 47.71 76.92 28.70 47.43 3 0 21.77 -999 ? MG MG A 201 >VAL^C 132 82.98 31.86 47.91 84.33 32.20 49.60 83.65 32.03 48.75 3 0 20.96 -999 ? MG MG B 202 >VAL^C 133 85.75 30.55 45.62 85.49 29.38 43.79 85.62 29.97 44.71 3 0 17.20 -999 ? MG MG B 202 >GLY^C 134 89.41 31.50 45.96 89.39 30.70 45.71 89.40 31.10 45.84 1 0 14.76 -999 ? MG MG B 202 >ALA^C 135 92.92 30.65 44.77 93.19 30.71 43.25 93.06 30.68 44.01 2 0 10.30 -999 ? MG MG B 202 >PHE^C 136 94.51 31.57 48.79 92.09 32.61 49.72 93.30 32.09 49.26 3 0 14.02 -999 ? MG MG B 202 >MET?C 137 99.82 31.24 46.17 102.07 31.98 43.30 100.94 31.61 44.73 2 0 7.11 -999 ? MG MG B 202 >ARG^C 138 101.04 25.21 47.15 102.40 22.51 47.59 101.72 23.86 47.37 2 0 8.41 -999 ? MG MG B 202 >PRO^D 5 78.31 68.57 47.81 79.60 67.28 49.13 78.96 67.93 48.47 3 0 26.88 -999 ? MG MG A 201 >LEU^D 6 80.22 63.23 46.64 79.01 63.12 44.84 79.61 63.18 45.74 3 0 22.58 -999 ? MG MG A 201 >LEU^D 7 84.15 64.67 49.80 86.27 64.15 49.86 85.21 64.41 49.83 3 0 28.31 -999 ? MG MG A 201 >GLU^D 8 80.15 66.50 52.93 79.97 68.52 53.59 80.06 67.51 53.26 2 0 29.94 -999 ? MG MG A 201 >ARG^D 9 75.69 60.33 50.79 74.42 60.82 48.06 75.06 60.57 49.42 2 0 19.01 -999 ? MG MG A 201 >ALA^D 10 81.45 59.10 51.60 82.48 59.23 50.49 81.97 59.16 51.05 2 0 23.61 -999 ? MG MG A 201 >ARG^D 11 85.58 62.93 54.68 87.50 64.80 53.21 86.54 63.86 53.94 2 0 31.46 -999 ? MG MG A 201 >ARG^D 12 77.88 62.39 57.72 77.35 64.58 55.63 77.62 63.49 56.67 2 0 27.09 -999 ? MG MG A 201 >PHE^D 13 78.71 54.44 53.27 77.74 52.01 52.27 78.23 53.23 52.77 3 0 19.33 -999 ? MG MG A 201 >LEU^D 14 84.07 55.57 55.41 85.99 54.65 55.06 85.03 55.11 55.23 3 0 26.13 -999 ? MG MG A 201 >SER^D 15 82.86 56.37 59.78 83.45 58.72 60.01 83.15 57.54 59.89 2 0 29.70 -999 ? MG MG A 201 >ALA^D 16 80.00 53.97 60.56 78.63 54.16 59.94 79.32 54.06 60.25 2 0 25.38 -999 ? MG MG A 201 >LEU^D 17 82.57 50.56 58.26 80.98 50.52 56.78 81.78 50.54 57.52 3 0 24.27 -999 ? MG MG A 201 >ARG^D 18 82.06 46.74 62.30 83.14 44.83 60.14 82.60 45.78 61.22 2 0 26.76 -999 ? MG MG A 201 >HIS^D 19 87.21 45.05 59.53 88.90 43.92 58.99 88.06 44.48 59.26 3 0 29.46 -999 ? MG MG A 201 >CYH^D 20 87.29 50.05 58.49 85.68 49.62 56.36 86.48 49.83 57.42 2 0 25.96 -999 ? MG MG A 201 >GLN^D 21 86.10 53.68 61.88 86.78 55.22 60.56 86.44 54.45 61.22 2 0 30.85 -999 ? MG MG A 201 >VAL^D 22 90.61 49.66 62.74 90.25 47.95 64.04 90.43 48.81 63.39 3 0 34.12 -999 ? MG MG A 201 >LEU^D 23 91.42 49.06 58.00 91.60 46.90 57.70 91.51 47.98 57.85 3 0 30.30 -999 ? MG MG B 202 >GLY^D 24 92.25 53.32 59.43 91.97 52.86 58.83 92.11 53.09 59.13 1 0 33.53 -999 ? MG MG A 201 >LEU^D 25 89.42 52.80 55.54 89.80 50.75 54.89 89.61 51.78 55.22 3 0 28.68 -999 ? MG MG A 201 >THR^D 26 90.06 57.26 54.84 91.87 58.16 55.59 90.96 57.71 55.22 2 0 32.54 -999 ? MG MG A 201 >VAL^D 27 88.33 58.84 51.88 86.20 59.15 51.47 87.27 59.00 51.67 3 0 27.48 -999 ? MG MG A 201 >GLU^D 28 93.45 59.24 49.52 94.61 60.98 49.88 94.03 60.11 49.70 2 0 33.57 -999 ? MG MG A 201 >ALA^D 29 88.91 61.67 46.91 89.69 61.74 45.60 89.30 61.70 46.26 2 0 28.73 -999 ? MG MG A 201 >ALA^D 30 85.25 61.59 45.92 84.40 61.30 47.14 84.83 61.44 46.53 2 0 24.83 -999 ? MG MG A 201 >ASP^D 31 84.21 64.05 42.12 85.60 62.92 41.00 84.90 63.48 41.56 2 0 25.56 -999 ? MG MG A 201 >GLY^D 34 83.93 57.74 41.49 84.18 58.49 41.74 84.05 58.11 41.61 1 0 21.11 -999 ? MG MG A 201 >LEU^D 35 84.59 56.42 45.72 84.30 56.58 47.87 84.44 56.50 46.79 3 0 22.11 -999 ? MG MG A 201 >THR^D 36 89.18 56.80 46.12 90.90 57.41 44.93 90.04 57.10 45.52 2 0 27.50 -999 ? MG MG A 201 >LEU^D 37 88.91 54.08 49.97 86.85 54.39 50.67 87.88 54.24 50.32 3 0 25.44 -999 ? MG MG A 201 >ARG^D 38 96.11 57.20 52.14 97.13 58.20 54.85 96.62 57.70 53.50 2 0 36.00 -999 ? MG MG B 202 >LEU^D 39 94.30 50.62 52.85 94.46 48.75 53.94 94.38 49.68 53.40 3 0 28.40 -999 ? MG MG B 202 >PRO^D 40 95.96 53.55 57.19 96.83 52.91 55.22 96.39 53.23 56.21 3 0 32.37 -999 ? MG MG B 202 >TYR^D 41 102.61 51.28 55.24 104.61 52.65 56.59 103.61 51.97 55.92 3 0 30.78 -999 ? MG MG B 202 >SER^D 42 100.88 50.23 58.92 100.05 52.31 59.94 100.47 51.27 59.43 2 0 33.30 -999 ? MG MG B 202 >GLN^D 43 96.40 51.23 60.32 96.92 50.92 62.38 96.66 51.07 61.35 2 0 34.07 -999 ? MG MG B 202 >ALA^D 44 97.59 46.24 56.93 97.61 46.68 55.47 97.60 46.46 56.20 2 0 26.39 -999 ? MG MG B 202 >ILE^D 45 102.01 45.22 58.74 103.23 45.81 58.94 102.62 45.51 58.84 3 0 27.40 -999 ? MG MG B 202 >ILE^D 46 99.73 39.89 57.89 99.60 38.39 57.41 99.67 39.14 57.65 3 0 22.32 -999 ? MG MG B 202 >GLY^D 47 103.63 39.31 60.51 103.46 40.11 60.56 103.54 39.71 60.54 1 0 24.77 -999 ? MG MG B 202 >ASN^D 48 108.32 40.44 60.71 109.99 41.77 60.86 109.16 41.11 60.78 2 0 27.70 -999 ? MG MG B 202 >PRO^D 49 105.85 44.61 63.20 106.50 44.14 61.10 106.18 44.37 62.15 3 0 29.38 -999 ? MG MG B 202 >SER^D 51 109.23 42.63 56.72 110.23 40.46 57.21 109.73 41.54 56.97 2 0 24.31 -999 ? MG MG B 202 >GLY^D 52 105.78 44.10 56.46 105.83 43.41 56.00 105.81 43.75 56.23 1 0 25.07 -999 ? MG MG B 202 >VAL^D 53 103.76 41.89 54.13 104.23 39.92 53.30 103.99 40.91 53.71 3 0 20.65 -999 ? MG MG B 202 >VAL^D 54 100.39 43.52 53.45 99.70 44.62 51.70 100.05 44.07 52.58 3 0 22.33 -999 ? MG MG B 202 >HIS^D 55 95.95 39.76 55.52 94.52 38.23 55.65 95.23 38.99 55.58 3 0 21.49 -999 ? MG MG B 202 >GLY^D 56 95.19 40.21 51.19 95.07 40.44 51.99 95.13 40.32 51.59 1 0 19.43 -999 ? MG MG B 202 >GLY^D 57 92.32 40.44 53.66 92.81 41.06 53.43 92.56 40.75 53.54 1 0 22.16 -999 ? MG MG B 202 >ALA^D 58 92.86 44.15 54.36 94.11 44.73 54.99 93.49 44.44 54.68 2 0 25.37 -999 ? MG MG B 202 >ILE^D 59 93.89 44.40 49.65 94.97 44.67 48.75 94.43 44.54 49.20 3 0 22.14 -999 ? MG MG B 202 >THR^D 60 89.57 42.83 50.24 88.99 40.74 50.29 89.28 41.78 50.26 2 0 22.16 -999 ? MG MG B 202 >THR^D 61 88.01 45.05 52.88 87.93 44.99 55.03 87.97 45.02 53.96 2 0 26.63 -999 ? MG MG A 201 >LEU^D 62 90.88 48.29 50.75 91.69 50.08 49.82 91.28 49.19 50.28 3 0 27.30 -999 ? MG MG A 201 >MET?D 63 87.94 47.08 47.75 90.97 45.27 45.25 89.46 46.17 46.50 2 0 22.84 -999 ? MG MG B 202 >ASP^D 64 84.34 44.63 50.03 82.25 44.43 50.43 83.30 44.53 50.23 2 0 19.37 -999 ? MG MG A 201 >THR^D 65 84.21 49.03 51.01 84.76 49.49 53.03 84.49 49.26 52.02 2 0 23.14 -999 ? MG MG A 201 >THR^D 66 85.33 51.21 48.11 87.25 51.84 47.37 86.29 51.52 47.74 2 0 23.02 -999 ? MG MG A 201 >CYH^D 67 82.94 49.45 45.72 84.26 47.62 44.08 83.60 48.54 44.90 2 0 18.44 -999 ? MG MG A 201 >GLY^D 68 80.12 49.68 48.27 80.60 50.25 47.95 80.36 49.97 48.11 1 0 16.75 -999 ? MG MG A 201 >ILE^D 69 81.64 53.94 50.07 82.03 54.65 51.30 81.83 54.29 50.68 3 0 20.86 -999 ? MG MG A 201 >SER^D 70 81.06 54.39 45.51 81.20 52.57 43.88 81.13 53.48 44.70 2 0 16.74 -999 ? MG MG A 201 >THR^D 71 77.29 53.97 45.31 76.72 52.28 46.51 77.00 53.13 45.91 2 0 14.03 -999 ? MG MG A 201 >VAL^D 72 77.04 57.43 46.90 78.50 57.64 48.48 77.77 57.53 47.69 3 0 18.22 -999 ? MG MG A 201 >CYH^D 73 78.05 58.84 43.52 80.78 58.19 43.43 79.41 58.51 43.47 2 0 19.23 -999 ? MG MG A 201 >VAL^D 74 74.72 57.64 42.10 75.45 55.80 41.19 75.08 56.72 41.65 3 0 13.95 -999 ? MG MG A 201 >LEU^D 75 72.45 56.54 46.13 71.64 54.57 45.76 72.05 55.55 45.94 3 0 12.95 -999 ? MG MG A 201 >PRO^D 76 68.73 59.97 45.01 70.85 60.29 45.69 69.79 60.13 45.35 3 0 15.78 -999 ? MG MG A 201 >ASP^D 77 68.43 59.67 50.02 66.94 60.46 48.75 67.69 60.06 49.39 2 0 17.37 -999 ? MG MG A 201 >PHE^D 78 73.12 57.69 54.33 74.41 55.74 55.83 73.77 56.71 55.08 3 0 20.50 -999 ? MG MG A 201 >GLU^D 79 70.79 53.88 49.62 69.15 53.06 48.57 69.97 53.47 49.10 2 0 12.05 -999 ? MG MG A 201 >ILE^D 80 74.15 50.81 53.98 75.01 50.48 55.07 74.58 50.65 54.53 3 0 17.94 -999 ? MG MG A 201 >CYH^D 81 73.78 48.88 49.72 72.93 50.73 47.82 73.35 49.81 48.77 2 0 11.74 -999 ? MG MG A 201 >PRO^D 82 72.47 45.39 51.82 74.28 45.93 50.63 73.37 45.66 51.22 3 0 13.84 -999 ? MG MG A 201 >THR^D 83 77.06 43.35 48.60 79.19 42.98 48.79 78.13 43.17 48.69 2 0 16.16 -999 ? MG MG A 201 >LEU^D 84 74.45 41.38 45.05 72.35 41.91 45.32 73.40 41.65 45.18 3 0 10.08 -999 ? MG MG A 201 >ASP^D 85 78.22 38.96 43.20 78.40 40.19 41.48 78.31 39.58 42.34 2 0 13.38 -999 ? MG MG A 201 >LEU^D 86 82.75 40.95 45.84 83.73 42.76 46.51 83.24 41.86 46.18 3 0 18.55 -999 ? MG MG A 201 >ARG^D 87 83.44 37.44 40.12 80.59 36.69 41.02 82.01 37.06 40.57 2 0 16.92 -999 ? MG MG A 201 >ILE^D 88 89.22 40.61 44.53 89.42 41.55 45.68 89.32 41.08 45.10 3 0 20.30 -999 ? MG MG B 202 >ASP^D 89 91.51 39.12 39.43 89.81 37.88 39.34 90.66 38.50 39.39 2 0 16.91 -999 ? MG MG B 202 >TYR^D 90 95.54 40.02 44.43 94.35 40.99 46.74 94.95 40.50 45.58 3 0 17.14 -999 ? MG MG B 202 >MET?D 91 97.89 41.11 39.22 95.86 41.57 36.55 96.87 41.34 37.89 2 0 17.14 -999 ? MG MG B 202 >HIS^D 92 101.64 43.41 41.04 101.29 45.48 40.95 101.46 44.44 41.00 3 0 18.71 -999 ? MG MG B 202 >PRO^D 93 103.42 40.29 44.94 101.41 41.24 44.71 102.42 40.77 44.83 3 0 15.82 -999 ? MG MG B 202 >ALA^D 94 101.12 44.72 47.21 100.10 45.10 48.28 100.61 44.91 47.74 2 0 21.13 -999 ? MG MG B 202 >GLU^D 95 105.18 47.15 45.86 105.53 48.95 44.85 105.36 48.05 45.35 2 0 24.04 -999 ? MG MG B 202 >PRO^D 96 106.74 44.85 51.40 105.23 46.51 51.13 105.99 45.68 51.27 3 0 23.36 -999 ? MG MG B 202 >HIS^D 97 107.78 49.14 54.21 108.73 47.48 55.08 108.25 48.31 54.65 3 0 27.76 -999 ? MG MG B 202 >LYS^D 98 103.36 51.88 50.81 106.96 51.74 45.60 105.16 51.81 48.21 2 0 27.14 -999 ? MG MG B 202 >ASP^D 99 99.19 54.28 51.60 99.87 55.06 53.44 99.53 54.67 52.52 2 0 32.33 -999 ? MG MG B 202 >VAL^D 100 97.16 51.18 49.13 97.02 49.00 48.96 97.09 50.09 49.04 3 0 26.38 -999 ? MG MG B 202 >TYR^D 101 95.83 55.37 47.24 97.43 56.92 48.91 96.63 56.14 48.08 3 0 31.85 -999 ? MG MG B 202 >GLY^D 102 91.21 51.78 46.18 91.31 52.64 46.15 91.26 52.21 46.17 1 0 26.28 -999 ? MG MG A 201 >PHE^D 103 89.09 54.67 41.15 87.32 55.93 39.42 88.21 55.30 40.28 3 0 23.60 -999 ? MG MG A 201 >ALA^D 104 85.78 52.52 42.18 85.07 51.56 43.12 85.42 52.04 42.65 2 0 19.73 -999 ? MG MG A 201 >GLU^D 105 83.01 55.06 37.65 84.23 55.66 36.05 83.62 55.36 36.85 2 0 20.40 -999 ? MG MG A 201 >CYH^D 106 79.49 52.70 39.21 78.30 53.20 41.65 78.90 52.95 40.43 2 0 14.02 -999 ? MG MG A 201 >TYR^D 107 80.00 49.27 35.36 79.84 46.56 35.96 79.92 47.91 35.66 3 0 13.96 -999 ? MG MG A 201 >ARG^D 108 73.55 47.38 34.05 76.04 45.72 33.42 74.80 46.55 33.74 2 0 11.10 -999 ? MG MG A 201 >VAL^D 109 72.54 51.49 37.75 72.62 53.37 38.86 72.58 52.43 38.31 3 0 8.88 -999 ? MG MG A 201 >THR^D 110 69.27 49.54 37.84 68.94 47.41 37.65 69.11 48.47 37.74 2 0 -3.18 -999 ? MG MG A 201s >PRO^D 111 64.78 49.61 38.05 66.57 49.87 39.36 65.67 49.74 38.70 3 0 3.90 -999 ? MG MG A 201 >ASN^D 112 66.49 46.51 42.92 64.54 47.33 43.32 65.51 46.92 43.12 2 0 -4.80 -999 ? MG MG A 201s >VAL^D 113 71.09 46.89 41.61 71.44 44.81 40.91 71.27 45.85 41.26 3 0 5.15 -999 ? MG MG A 201 >ILE^D 114 74.57 50.21 42.24 74.57 51.65 42.55 74.57 50.93 42.39 3 0 9.96 -999 ? MG MG A 201 >PHE^D 115 75.82 45.96 37.92 73.65 44.23 37.58 74.73 45.10 37.75 3 0 8.35 -999 ? MG MG A 201 >THR^D 116 80.59 48.87 40.17 81.49 49.42 42.02 81.04 49.14 41.10 2 0 15.59 -999 ? MG MG A 201 >ARG^D 117 85.42 46.75 35.79 87.90 47.79 34.32 86.66 47.27 35.06 2 0 21.97 -999 ? MG MG A 201 >GLY^D 118 87.51 49.45 40.49 87.60 48.65 40.28 87.56 49.05 40.39 1 0 21.29 -999 ? MG MG A 201 >PHE^D 119 92.11 50.21 39.69 92.46 52.88 39.05 92.28 51.54 39.37 3 0 26.33 -999 ? MG MG A 201 >ALA^D 120 93.75 48.82 44.04 93.86 47.78 45.15 93.81 48.30 44.59 2 0 23.92 -999 ? MG MG B 202 >TYR^D 121 96.36 52.65 42.47 95.19 55.10 43.00 95.77 53.88 42.74 3 0 28.85 -999 ? MG MG B 202 >GLN^D 122 100.37 50.08 46.80 101.61 48.55 47.55 100.99 49.31 47.18 2 0 24.04 -999 ? MG MG B 202 >ASP^D 123 103.87 54.37 43.29 104.97 54.54 45.09 104.42 54.46 44.19 2 0 29.44 -999 ? MG MG B 202 >ASP^D 124 102.07 53.80 38.97 101.55 54.26 36.97 101.81 54.03 37.97 2 0 28.64 -999 ? MG MG B 202 >PRO^D 125 97.39 56.26 38.80 97.96 54.17 39.38 97.67 55.21 39.09 3 0 29.72 -999 ? MG MG B 202 >GLY^D 126 98.26 52.35 35.95 98.61 52.10 36.65 98.44 52.23 36.30 1 0 27.08 -999 ? MG MG B 202 >GLN^D 127 102.49 49.94 37.15 104.50 49.73 37.83 103.50 49.84 37.49 2 0 24.23 -999 ? MG MG B 202 >PRO^D 128 95.72 48.72 37.76 97.46 48.29 39.11 96.59 48.50 38.44 3 0 23.33 -999 ? MG MG B 202 >ILE^D 129 98.27 45.48 43.65 98.43 46.53 44.82 98.35 46.00 44.23 3 0 20.95 -999 ? MG MG B 202 >ALA^D 130 94.22 44.09 41.79 93.79 43.70 43.19 94.00 43.89 42.49 2 0 19.83 -999 ? MG MG B 202 >HIS^D 131 91.90 44.83 37.54 93.13 46.02 36.32 92.52 45.42 36.93 3 0 21.85 -999 ? MG MG B 202 >VAL^D 132 87.44 44.32 41.30 86.78 45.32 43.14 87.11 44.82 42.22 3 0 20.81 -999 ? MG MG A 201 >VAL^D 133 83.82 44.28 40.13 83.79 43.03 38.32 83.81 43.66 39.22 3 0 17.41 -999 ? MG MG A 201 >GLY^D 134 80.83 44.05 42.45 80.63 44.52 41.77 80.73 44.28 42.11 1 0 14.77 -999 ? MG MG A 201 >ALA^D 135 77.08 44.29 42.44 76.23 43.28 41.69 76.66 43.79 42.06 2 0 10.35 -999 ? MG MG A 201 >PHE^D 136 77.42 47.01 45.98 80.09 46.37 46.37 78.75 46.69 46.18 3 0 14.08 -999 ? MG MG A 201 >MET?D 137 71.57 45.93 46.27 68.53 43.22 46.56 70.05 44.57 46.41 2 0 8.12 -999 ? MG MG A 201 >ARG^D 138 68.93 51.50 44.46 68.47 53.35 42.09 68.70 52.42 43.28 2 0 8.16 -999 ? MG MG A 201 >MET?D 139 66.56 48.32 49.38 68.64 45.47 50.48 67.60 46.89 49.93 2 0 11.50 -999 ? MG MG A 201