REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-MAR-07 2P3P COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: TARGETED DOMAIN: RESIDUES 61-264; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS W83; SOURCE 3 ORGANISM_TAXID: 242619; SOURCE 4 STRAIN: W83, PG_1388; SOURCE 5 ATCC: BAA-308; SOURCE 6 GENE: PG_1388; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR B.NOCEK,C.HATZOS,S.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET MSE A 76 8 HET MSE A 86 8 HET MSE A 137 8 HET MSE A 212 8 HET MSE B 76 8 HET MSE B 86 8 HET MSE B 137 8 HET MSE B 212 8 HET MG B 701 1 SITE 1 AC1 6 SER B 206 HOH B 798 HOH B 956 HOH B 957 >ALA.A 66 53.03 16.10 22.22 51.80 15.22 21.99 52.41 15.66 22.11 2 0 23.49 -999 ? MG MG B 701 >GLY~A 67 55.37 14.48 24.73 54.63 14.21 24.44 55.00 14.34 24.59 1 0 22.64 -999 ? MG MG B 701 >GLU~A 68 56.21 8.51 25.84 57.91 7.36 26.07 57.06 7.93 25.96 2 0 16.08 -999 ? MG MG B 701 >LEU~A 69 53.23 11.80 29.89 52.24 11.34 31.75 52.74 11.57 30.82 3 0 21.39 -999 ? MG MG B 701 >GLU~A 70 49.68 14.74 24.80 49.71 16.74 24.08 49.70 15.74 24.44 2 0 25.37 -999 ? MG MG B 701 >ARG~A 71 52.94 11.11 20.93 55.28 9.38 22.01 54.11 10.24 21.47 2 0 17.45 -999 ? MG MG B 701 >CYH~A 72 49.96 7.59 26.24 52.51 6.56 26.61 51.24 7.08 26.42 2 0 15.35 -999 ? MG MG B 701 >PHE~A 73 46.15 11.22 29.51 44.01 12.03 31.08 45.08 11.63 30.30 3 0 23.31 -999 ? MG MG B 701 >LEU~A 74 45.85 10.99 23.70 45.70 13.12 23.34 45.77 12.06 23.52 3 0 22.11 -999 ? MG MG B 701 >ALA~A 75 45.58 6.48 23.74 46.73 6.03 22.86 46.15 6.25 23.30 2 0 16.29 -999 ? MG MG B 701 >MET?A 76 44.86 4.90 27.16 44.80 5.97 31.31 44.83 5.44 29.23 2 0 19.37 -999 ? MG MG B 701 >PRO~A 77 43.59 0.70 26.48 42.59 2.75 26.86 43.09 1.73 26.67 3 0 15.88 -999 ? MG MG B 701 >GLU~A 78 36.42 4.32 29.08 34.55 4.86 28.21 35.48 4.59 28.65 2 0 24.76 -999 ? MG MG B 701 >SER~A 79 38.65 0.14 30.33 38.03 -2.24 30.48 38.34 -1.05 30.40 2 0 19.52 -999 ? MG MG B 701 >VAL~A 80 42.15 0.61 31.82 44.26 0.53 31.09 43.21 0.57 31.46 3 0 17.03 -999 ? MG MG B 701 >LEU~A 81 42.12 4.62 33.97 42.77 5.70 35.72 42.45 5.16 34.85 3 0 21.91 -999 ? MG MG B 701 >PRO~A 82 36.86 2.32 34.28 37.81 4.18 33.45 37.33 3.25 33.87 3 0 23.75 -999 ? MG MG B 701 >ILE~A 83 38.40 8.27 35.90 38.22 8.03 37.17 38.31 8.15 36.54 3 0 27.07 -999 ? MG MG B 701 >VAL~A 84 35.85 9.55 32.37 37.25 11.34 32.29 36.55 10.45 32.33 3 0 27.83 -999 ? MG MG B 701 >THR~A 85 34.76 8.28 28.95 32.79 9.05 28.47 33.77 8.66 28.71 2 0 28.58 -999 ? MG MG B 701 >MET?A 86 37.19 8.13 26.03 40.04 7.26 24.51 38.62 7.70 25.27 2 0 21.44 -999 ? MG MG B 701 >GLU~A 87 33.74 9.75 22.88 32.80 8.03 23.69 33.27 8.89 23.28 2 0 27.37 -999 ? MG MG B 701 >GLU~A 88 33.25 12.86 29.05 32.48 12.06 30.82 32.87 12.46 29.94 2 0 31.24 -999 ? MG MG B 701 >ARG~A 89 41.91 10.07 29.06 41.51 7.36 27.58 41.71 8.72 28.32 2 0 21.03 -999 ? MG MG B 701 >ASN~A 90 39.76 12.43 23.01 37.74 11.92 22.68 38.75 12.17 22.85 2 0 26.35 -999 ? MG MG B 701 >ASP~A 91 36.10 16.42 24.55 35.02 15.53 22.85 35.56 15.98 23.70 2 0 30.86 -999 ? MG MG B 701 >LEU~A 92 39.61 16.69 28.94 40.79 16.87 30.80 40.20 16.78 29.87 3 0 29.77 -999 ? MG MG B 701 >CYH~A 93 42.80 17.19 26.05 43.95 14.89 27.02 43.38 16.04 26.53 2 0 25.81 -999 ? MG MG B 701 >ARG~A 94 39.43 19.06 19.67 38.29 16.27 20.39 38.86 17.66 20.03 2 0 29.54 -999 ? MG MG B 701 >ARG~A 95 36.90 22.02 26.51 36.19 19.35 27.93 36.54 20.69 27.22 2 0 33.62 -999 ? MG MG B 701 >ALA~A 96 43.90 21.81 26.90 44.37 20.58 27.66 44.13 21.19 27.28 2 0 30.94 -999 ? MG MG B 701 >GLY~A 97 45.97 21.69 23.70 46.00 21.22 24.47 45.98 21.46 24.09 1 0 31.08 -999 ? MG MG B 701 >HIS~A 98 50.40 19.60 21.83 50.19 18.76 19.91 50.29 19.18 20.87 3 0 27.68 -999 ? MG MG B 701 >LEU~A 99 50.61 18.05 28.30 48.66 17.16 28.74 49.64 17.61 28.52 3 0 26.86 -999 ? MG MG B 701 >SER~A 100 53.58 21.63 28.64 52.67 23.81 29.19 53.12 22.72 28.91 2 0 32.62 -999 ? MG MG B 701 >GLY~A 101 55.62 22.57 31.69 54.92 22.90 31.49 55.27 22.74 31.59 1 0 31.96 -999 ? MG MG B 701 >PHE~A 102 53.47 26.94 31.88 55.62 28.62 31.56 54.55 27.78 31.72 3 0 36.98 -999 ? MG MG B 701 >THR~A 103 50.29 22.50 34.59 50.45 21.47 36.44 50.37 21.99 35.51 2 0 32.91 -999 ? MG MG B 701 >HIS^A 104 45.13 22.80 31.21 43.22 23.40 30.59 44.18 23.10 30.90 3 0 33.98 -999 ? MG MG B 701 >THR^A 105 43.83 22.53 35.56 43.67 23.24 37.59 43.75 22.89 36.58 2 0 36.48 -999 ? MG MG B 701 >ALA^A 106 40.48 21.17 34.44 40.60 20.50 33.08 40.54 20.83 33.76 2 0 33.62 -999 ? MG MG B 701 >SER^A 107 37.40 19.71 36.06 36.29 21.61 37.11 36.85 20.66 36.58 2 0 37.91 -999 ? MG MG B 701 >LEU^A 108 35.07 16.75 33.56 34.37 15.98 31.67 34.72 16.36 32.62 3 0 33.24 -999 ? MG MG B 701 >GLU~A 109 29.40 16.91 37.45 28.08 15.31 37.76 28.74 16.11 37.60 2 0 38.68 -999 ? MG MG B 701 >SER~A 110 31.60 12.76 34.14 32.49 10.59 33.52 32.04 11.68 33.83 2 0 31.15 -999 ? MG MG B 701 >SER~A 111 28.64 11.17 32.36 29.60 10.10 30.40 29.12 10.64 31.38 2 0 32.12 -999 ? MG MG B 701 >LEU~A 112 31.30 7.53 34.07 31.99 6.34 32.33 31.65 6.93 33.20 3 0 29.64 -999 ? MG MG B 701 >GLY~A 113 29.02 9.68 37.53 29.80 9.86 37.10 29.41 9.77 37.32 1 0 34.75 -999 ? MG MG B 701 >GLY~A 114 31.24 11.76 39.70 31.09 12.06 39.00 31.17 11.91 39.35 1 0 35.29 -999 ? MG MG B 701 >THR^A 115 33.37 14.79 39.55 32.77 15.85 41.27 33.07 15.32 40.41 2 0 37.56 -999 ? MG MG B 701 >VAL^A 116 36.93 14.51 38.31 37.32 12.69 37.11 37.13 13.60 37.71 3 0 31.84 -999 ? MG MG B 701 >THR^A 117 39.68 17.15 38.48 39.65 17.82 40.51 39.67 17.48 39.49 2 0 34.97 -999 ? MG MG B 701 >PHE^A 118 41.62 15.66 34.45 39.96 13.55 33.81 40.79 14.61 34.13 3 0 29.09 -999 ? MG MG B 701 >LEU^A 119 47.11 18.54 37.83 46.73 19.95 39.44 46.92 19.24 38.64 3 0 32.66 -999 ? MG MG B 701 >LEU^A 120 46.82 18.17 31.91 45.03 16.96 31.46 45.93 17.56 31.68 3 0 28.63 -999 ? MG MG B 701 >ASN^A 121 52.20 18.76 34.12 54.15 19.63 34.02 53.18 19.19 34.07 2 0 29.95 -999 ? MG MG B 701 >ARG~A 122 57.02 18.56 28.04 58.98 19.78 30.13 58.00 19.17 29.08 2 0 29.12 -999 ? MG MG B 701 >ASN~A 123 57.01 15.83 33.37 58.33 16.35 31.78 57.67 16.09 32.58 2 0 26.30 -999 ? MG MG B 701 >PHE^A 124 53.10 15.90 36.97 52.63 18.53 37.74 52.86 17.22 37.35 3 0 29.34 -999 ? MG MG B 701 >ILE^A 125 48.34 13.09 34.21 47.58 12.94 33.09 47.96 13.01 33.65 3 0 24.78 -999 ? MG MG B 701 >ARG^A 126 48.08 15.54 42.27 50.77 14.42 43.32 49.42 14.98 42.79 2 0 30.85 -999 ? MG MG B 701 >ILE^A 127 43.20 12.08 37.89 42.69 11.65 36.60 42.95 11.86 37.24 3 0 27.47 -999 ? MG MG B 701 >GLN^A 128 42.53 15.36 43.07 43.83 14.09 44.24 43.18 14.73 43.65 2 0 32.89 -999 ? MG MG B 701 >THR^A 129 38.14 11.33 41.79 38.88 9.44 41.03 38.51 10.38 41.41 2 0 30.05 -999 ? MG MG B 701 >SER~A 130 35.27 10.68 44.14 33.14 11.04 45.17 34.21 10.86 44.65 2 0 36.72 -999 ? MG MG B 701 >THR~A 131 35.47 6.90 43.62 34.85 6.82 41.56 35.16 6.86 42.59 2 0 31.36 -999 ? MG MG B 701 >VAL~A 132 39.02 5.50 43.45 39.22 5.03 41.35 39.12 5.26 42.40 3 0 28.62 -999 ? MG MG B 701 >GLY~A 133 40.81 8.48 45.01 40.77 8.38 44.18 40.79 8.43 44.60 1 0 31.22 -999 ? MG MG B 701 >GLU^A 134 46.08 11.35 43.50 47.51 12.29 44.66 46.79 11.82 44.08 2 0 30.91 -999 ? MG MG B 701 >VAL^A 135 45.58 8.75 40.29 44.61 7.55 38.70 45.10 8.15 39.49 3 0 25.39 -999 ? MG MG B 701 >PHE^A 136 51.01 11.36 40.52 53.20 13.02 39.90 52.11 12.19 40.21 3 0 26.98 -999 ? MG MG B 701 >MET?A 137 50.93 8.94 36.54 48.34 8.59 33.11 49.63 8.76 34.82 2 0 20.75 -999 ? MG MG B 701 >ARG^A 138 56.09 11.79 37.51 58.92 12.66 36.83 57.51 12.23 37.17 2 0 25.45 -999 ? MG MG B 701 >ILE^A 139 57.07 8.64 31.01 56.61 7.54 30.02 56.84 8.09 30.52 3 0 18.09 -999 ? MG MG B 701 >LEU^A 140 59.84 5.65 35.10 59.22 6.19 37.08 59.53 5.92 36.09 3 0 19.96 -999 ? MG MG B 701 >PRO^A 141 64.19 7.07 33.07 62.46 5.89 32.23 63.33 6.48 32.65 3 0 19.57 -999 ? MG MG B 701 >PHE~A 142 62.78 -0.55 30.89 63.67 -3.12 31.49 63.22 -1.83 31.19 3 0 13.47 -999 ? MG MG B 701 >SER~A 143 66.42 2.53 29.16 66.03 2.11 26.82 66.23 2.32 27.99 2 0 15.64 -999 ? MG MG B 701 >ASP~A 144 69.22 6.09 27.43 70.24 4.65 26.30 69.73 5.37 26.87 2 0 20.24 -999 ? MG MG B 701 >SER~A 145 65.62 4.84 24.49 66.57 2.65 23.80 66.10 3.74 24.14 2 0 15.87 -999 ? MG MG B 701 >SER~A 146 62.43 3.35 26.06 63.03 1.20 26.92 62.73 2.28 26.49 2 0 13.04 -999 ? MG MG B 701 >SER^A 147 59.94 3.92 28.83 60.06 6.29 28.37 60.00 5.11 28.60 2 0 16.30 -999 ? MG MG B 701 >VAL^A 148 57.35 2.46 31.20 58.46 0.97 32.40 57.90 1.72 31.80 3 0 13.75 -999 ? MG MG B 701 >ILE^A 149 52.82 4.11 32.07 51.80 4.65 31.25 52.31 4.38 31.66 3 0 15.61 -999 ? MG MG B 701 >CYH^A 150 54.05 4.31 36.56 55.14 4.53 39.16 54.60 4.42 37.86 2 0 20.80 -999 ? MG MG B 701 >VAL^A 151 50.63 4.98 38.04 48.87 4.93 36.68 49.75 4.95 37.36 3 0 20.34 -999 ? MG MG B 701 >VAL^A 152 50.10 5.54 41.74 51.75 6.14 43.11 50.93 5.84 42.42 3 0 24.53 -999 ? MG MG B 701 >THR^A 153 46.49 5.28 42.88 44.97 4.49 41.56 45.73 4.89 42.22 2 0 24.82 -999 ? MG MG B 701 >THR^A 154 45.72 6.38 46.40 47.33 7.44 47.44 46.52 6.91 46.92 2 0 30.24 -999 ? MG MG B 701 >VAL^A 155 42.44 6.08 48.31 41.99 4.00 48.73 42.22 5.04 48.52 3 0 31.70 -999 ? MG MG B 701 >LEU~A 156 42.21 10.50 50.11 43.44 11.59 48.63 42.82 11.05 49.37 3 0 35.04 -999 ? MG MG B 701 >HIS~A 157 38.94 10.29 53.24 39.70 12.18 53.73 39.32 11.23 53.49 3 0 39.61 -999 ? MG MG B 701 >PRO~A 158 38.13 3.87 55.27 38.92 5.90 54.70 38.52 4.89 54.98 3 0 38.53 -999 ? MG MG B 701 >VAL~A 159 42.82 5.67 55.50 44.03 3.92 56.06 43.42 4.79 55.78 3 0 37.39 -999 ? MG MG B 701 >ALA~A 160 45.30 6.87 52.88 46.13 8.16 52.95 45.72 7.51 52.92 2 0 35.52 -999 ? MG MG B 701 >ASP^A 161 45.91 2.65 51.66 46.91 0.77 51.57 46.41 1.71 51.61 2 0 31.32 -999 ? MG MG B 701 >SER^A 162 48.41 3.59 47.69 49.51 5.75 47.96 48.96 4.67 47.83 2 0 29.38 -999 ? MG MG B 701 >ARG^A 163 45.39 -0.99 44.51 45.45 -0.07 41.63 45.42 -0.53 43.07 2 0 22.70 -999 ? MG MG B 701 >ILE^A 164 53.13 1.48 42.81 54.37 2.23 43.05 53.75 1.85 42.93 3 0 22.64 -999 ? MG MG B 701 >ASP^A 165 49.47 0.04 38.38 48.02 -0.73 39.68 48.75 -0.34 39.03 2 0 19.82 -999 ? MG MG B 701 >PHE^A 166 55.48 -0.21 37.25 56.90 1.01 39.28 56.19 0.40 38.27 3 0 17.85 -999 ? MG MG B 701 >TYR^A 167 50.02 0.16 32.66 47.75 0.13 34.22 48.88 0.14 33.44 3 0 14.87 -999 ? MG MG B 701 >THR^A 168 54.22 -0.54 28.99 53.77 -2.31 27.85 53.99 -1.43 28.42 2 0 7.86 -999 ? MG MG B 701 >THR~A 169 53.69 2.67 26.96 55.61 3.43 26.29 54.65 3.05 26.63 2 0 12.09 -999 ? MG MG B 701 >GLU~A 170 52.41 0.03 22.89 54.38 0.44 23.67 53.40 0.24 23.28 2 0 8.58 -999 ? MG MG B 701 >TRP~A 171 48.02 3.02 27.05 48.23 4.36 30.74 48.13 3.69 28.89 3 0 14.96 -999 ? MG MG B 701 >LYS~A 172 50.20 -3.67 28.72 53.15 -8.47 28.45 51.67 -6.07 28.58 2 0 6.12 -999 ? MG MG B 701 >PRO^A 173 48.29 -5.70 32.10 50.03 -4.35 31.76 49.16 -5.02 31.93 3 0 11.37 -999 ? MG MG B 701 >LEU^A 174 54.71 -4.40 33.74 55.61 -4.00 31.77 55.16 -4.20 32.76 3 0 10.87 -999 ? MG MG B 701 >LYS~A 175 54.19 -7.18 37.22 54.81 -12.82 38.86 54.50 -10.00 38.04 2 0 16.95 -999 ? MG MG B 701 >THR~A 176 54.90 -4.56 39.91 53.57 -3.17 41.01 54.24 -3.87 40.46 2 0 19.09 -999 ? MG MG B 701 >ASP~A 177 57.48 -8.32 42.16 55.62 -9.31 42.19 56.55 -8.81 42.17 2 0 19.64 -999 ? MG MG B 701 >ARG~A 178 60.75 -6.17 35.55 62.65 -6.30 33.15 61.70 -6.24 34.35 2 0 13.19 -999 ? MG MG B 701 >PHE~A 179 59.12 -2.16 37.53 58.98 -3.05 34.90 59.05 -2.61 36.22 3 0 15.24 -999 ? MG MG B 701 >TRP~A 180 55.92 -1.33 45.06 57.80 1.35 47.22 56.86 0.01 46.14 3 0 24.96 -999 ? MG MG B 701 >GLN~A 181 60.16 -5.59 48.31 61.94 -6.68 48.94 61.05 -6.14 48.63 2 0 27.30 -999 ? MG MG B 701 >GLN~A 182 54.30 -2.44 50.45 53.46 -0.63 49.70 53.88 -1.53 50.08 2 0 28.14 -999 ? MG MG B 701 >PRO~A 183 57.98 0.34 52.18 58.10 -1.90 51.88 58.04 -0.78 52.03 3 0 30.47 -999 ? MG MG B 701 >ARG~A 184 59.62 -7.21 56.11 59.92 -9.15 58.50 59.77 -8.18 57.30 2 0 36.26 -999 ? MG MG B 701 >ILE~A 185 54.87 -2.22 59.46 54.61 -1.57 59.92 54.74 -1.89 59.69 3 0 37.60 -999 ? MG MG B 701 >GLU~A 186 60.82 -4.60 59.58 62.03 -6.27 60.12 61.43 -5.44 59.85 2 0 38.23 -999 ? MG MG B 701 >ASP~A 187 61.00 -0.38 56.45 61.66 -2.23 55.67 61.33 -1.30 56.06 2 0 34.25 -999 ? MG MG B 701 >PHE~A 188 57.53 2.90 57.96 56.98 3.16 55.25 57.26 3.03 56.60 3 0 35.84 -999 ? MG MG B 701 >PHE~A 189 59.77 -0.70 63.73 57.68 -2.54 63.82 58.72 -1.62 63.77 3 0 41.84 -999 ? MG MG B 701 >LEU~A 190 62.29 4.81 66.47 61.38 6.74 66.43 61.84 5.77 66.45 3 0 46.49 -999 ? MG MG B 701 >PRO~A 191 67.01 5.15 65.54 65.70 3.40 66.08 66.36 4.28 65.81 3 0 46.37 -999 ? MG MG B 701 >HIS~A 192 68.48 1.80 70.19 70.40 2.63 70.21 69.44 2.21 70.20 3 0 50.82 -999 ? MG MG B 701 >THR~A 193 63.13 -0.94 68.76 61.50 -0.74 67.46 62.32 -0.84 68.11 2 0 45.93 -999 ? MG MG B 701 >ASP~A 194 62.72 -3.55 72.77 62.75 -5.34 73.88 62.74 -4.45 73.32 2 0 51.94 -999 ? MG MG B 701 >ARG~A 195 61.44 -7.15 66.34 63.04 -4.84 65.03 62.24 -6.00 65.68 2 0 43.32 -999 ? MG MG B 701 >GLN~A 196 60.84 -9.90 73.17 59.21 -11.24 72.85 60.02 -10.57 73.01 2 0 50.53 -999 ? MG MG B 701 >SER~A 197 58.70 -4.29 74.90 58.52 -2.52 73.20 58.61 -3.40 74.05 2 0 51.03 -999 ? MG MG B 701 >TYR~A 198 53.82 -3.08 78.46 51.29 -3.39 79.56 52.56 -3.24 79.01 3 0 56.67 -999 ? MG MG B 701 >ALA~A 199 54.75 -0.85 73.97 55.62 0.40 73.78 55.18 -0.23 73.87 2 0 51.88 -999 ? MG MG B 701 >TYR~A 200 56.79 -4.41 69.25 56.84 -5.83 66.87 56.81 -5.12 68.06 3 0 45.60 -999 ? MG MG B 701 >GLN~A 201 55.05 -7.81 73.07 56.09 -8.90 74.66 55.57 -8.35 73.86 2 0 52.08 -999 ? MG MG B 701 >ALA~A 202 50.44 -3.80 73.05 50.45 -2.68 74.13 50.45 -3.24 73.59 2 0 52.00 -999 ? MG MG B 701 >ILE~A 203 51.36 -0.95 69.21 50.48 0.06 69.21 50.92 -0.45 69.21 3 0 47.39 -999 ? MG MG B 701 >TYR~A 204 52.40 -7.49 67.00 53.03 -9.24 64.93 52.71 -8.37 65.97 3 0 43.42 -999 ? MG MG B 701 >ALA~A 205 48.13 -6.32 66.34 47.13 -7.05 67.19 47.63 -6.69 66.77 2 0 45.28 -999 ? MG MG B 701 >SER~A 206 47.28 -2.73 65.33 45.89 -1.90 67.11 46.58 -2.31 66.22 2 0 45.83 -999 ? MG MG B 701 >LEU~A 207 51.72 -3.07 63.38 53.23 -1.97 64.52 52.47 -2.52 63.95 3 0 41.79 -999 ? MG MG B 701 >THR~A 208 48.48 -4.56 60.28 49.36 -6.54 60.36 48.92 -5.55 60.32 2 0 38.19 -999 ? MG MG B 701 >PRO~A 209 44.52 -4.02 57.76 46.60 -3.84 58.54 45.56 -3.93 58.15 3 0 36.99 -999 ? MG MG B 701 >SER~A 210 49.99 -1.69 57.23 51.51 -3.29 58.19 50.75 -2.49 57.71 2 0 36.07 -999 ? MG MG B 701 >TYR~A 211 46.06 1.29 56.07 43.74 -0.16 56.67 44.90 0.57 56.37 3 0 36.27 -999 ? MG MG B 701 >MET?A 212 51.05 3.30 53.42 54.22 0.41 53.59 52.64 1.86 53.50 2 0 32.13 -999 ? MG MG B 701 >GLN~A 213 49.72 8.72 50.78 48.64 10.39 51.50 49.18 9.55 51.14 2 0 34.86 -999 ? MG MG B 701 >VAL~A 214 53.00 6.92 48.32 53.81 5.31 47.11 53.40 6.12 47.71 3 0 28.87 -999 ? MG MG B 701 >SER~A 215 53.96 10.22 46.63 54.01 12.63 46.67 53.99 11.43 46.65 2 0 31.75 -999 ? MG MG B 701 >LEU~A 216 55.34 9.26 42.09 56.47 8.47 40.48 55.90 8.86 41.28 3 0 25.22 -999 ? MG MG B 701 >SER~A 217 57.85 13.16 42.60 59.76 14.69 42.27 58.81 13.92 42.44 2 0 30.46 -999 ? MG MG B 701 >GLU~A 218 54.56 16.53 40.79 53.76 18.19 41.81 54.16 17.36 41.30 2 0 32.55 -999 ? MG MG B 701 >GLU~A 219 59.27 18.40 40.08 59.60 20.33 40.74 59.43 19.36 40.41 2 0 34.01 -999 ? MG MG B 701 >SER~A 220 62.66 13.66 39.67 62.74 13.68 42.09 62.70 13.67 40.88 2 0 30.23 -999 ? MG MG B 701 >ASP~A 221 63.27 9.05 38.25 62.91 9.80 36.26 63.09 9.43 37.25 2 0 23.86 -999 ? MG MG B 701 >THR^A 222 62.04 9.47 43.12 63.32 11.19 43.65 62.68 10.33 43.38 2 0 29.73 -999 ? MG MG B 701 >LEU^A 223 58.29 7.44 44.99 58.08 5.33 45.61 58.19 6.39 45.30 3 0 27.10 -999 ? MG MG B 701 >SER^A 224 58.45 8.88 49.16 58.56 10.38 51.09 58.50 9.63 50.12 2 0 34.13 -999 ? MG MG B 701 >ILE^A 225 56.38 4.98 50.69 56.47 3.53 50.83 56.42 4.26 50.76 3 0 30.77 -999 ? MG MG B 701 >ARG^A 226 52.39 10.28 54.33 53.57 13.12 54.39 52.98 11.70 54.36 2 0 38.22 -999 ? MG MG B 701 >GLN^A 227 54.41 4.39 59.17 53.11 5.19 60.64 53.76 4.79 59.91 2 0 40.32 -999 ? MG MG B 701 >THR~A 228 49.57 5.80 57.73 48.75 6.14 55.73 49.16 5.97 56.73 2 0 36.57 -999 ? MG MG B 701 >VAL~A 229 49.07 3.30 60.59 49.85 1.23 60.98 49.46 2.26 60.78 3 0 39.93 -999 ? MG MG B 701 >THR~A 230 49.84 5.84 63.31 51.56 6.85 64.09 50.70 6.35 63.70 2 0 44.21 -999 ? MG MG B 701 >GLU~A 231 46.37 8.02 59.96 46.65 9.30 58.33 46.51 8.66 59.14 2 0 40.57 -999 ? MG MG B 701 >THR~A 232 44.58 4.76 62.81 45.31 3.27 61.38 44.94 4.02 62.10 2 0 41.53 -999 ? MG MG B 701 >LEU~A 233 47.05 4.25 66.96 48.61 2.87 66.43 47.83 3.56 66.69 3 0 46.15 -999 ? MG MG B 701 >ALA~A 234 43.44 5.14 69.42 42.86 4.18 70.43 43.15 4.66 69.93 2 0 50.82 -999 ? MG MG B 701 >GLU~A 235 43.25 10.32 70.63 44.91 11.03 69.52 44.08 10.68 70.08 2 0 51.63 -999 ? MG MG B 701 >GLU~A 236 44.03 4.05 74.67 42.22 4.37 73.55 43.13 4.21 74.11 2 0 53.96 -999 ? MG MG B 701 >GLU~A 237 46.26 1.98 71.28 45.32 1.01 69.65 45.79 1.50 70.46 2 0 48.86 -999 ? MG MG B 701 >LYS~A 238 49.71 6.68 70.26 45.99 10.01 66.31 47.85 8.35 68.29 2 0 48.13 -999 ? MG MG B 701 >PRO~A 239 50.26 8.33 74.30 51.47 7.19 72.80 50.87 7.76 73.55 3 0 53.50 -999 ? MG MG B 701 >LEU~A 240 52.19 2.32 73.37 51.41 1.66 75.25 51.80 1.99 74.31 3 0 52.77 -999 ? MG MG B 701 >ALA~A 241 53.60 3.48 69.42 52.47 3.64 68.38 53.03 3.56 68.90 2 0 47.31 -999 ? MG MG B 701 >ALA~A 242 55.65 6.69 69.54 55.28 7.96 70.34 55.46 7.32 69.94 2 0 50.36 -999 ? MG MG B 701 >ILE~A 243 58.72 4.12 72.49 58.28 3.32 73.59 58.50 3.72 73.04 3 0 51.92 -999 ? MG MG B 701 >PHE~A 244 57.62 0.67 68.24 55.09 -0.38 67.87 56.35 0.14 68.06 3 0 46.21 -999 ? MG MG B 701 >LEU~A 245 55.41 3.40 65.10 54.46 2.65 63.31 54.94 3.02 64.20 3 0 43.05 -999 ? MG MG B 701 >SER~A 246 58.22 6.69 63.15 59.97 7.98 61.99 59.09 7.33 62.57 2 0 42.83 -999 ? MG MG B 701 >PRO~A 247 56.53 10.65 62.64 56.57 8.72 61.48 56.55 9.69 62.06 3 0 43.30 -999 ? MG MG B 701 >GLU~A 248 61.57 10.69 58.38 61.15 12.75 58.68 61.36 11.72 58.53 2 0 42.11 -999 ? MG MG B 701 >PRO~A 249 57.62 11.01 54.96 58.74 9.26 55.75 58.18 10.14 55.35 3 0 37.61 -999 ? MG MG B 701 >LEU^A 250 60.95 4.98 53.38 60.98 3.79 55.23 60.97 4.38 54.31 3 0 34.59 -999 ? MG MG B 701 >VAL^A 251 62.60 7.67 50.05 63.24 9.75 49.69 62.92 8.71 49.87 3 0 32.99 -999 ? MG MG B 701 >TYR^A 252 62.00 3.47 47.74 61.53 1.51 49.69 61.76 2.49 48.71 3 0 28.98 -999 ? MG MG B 701 >ARG^A 253 68.27 8.63 43.05 70.75 9.38 41.34 69.51 9.00 42.20 2 0 30.10 -999 ? MG MG B 701 >TRP^A 254 63.78 5.04 36.79 61.29 2.03 37.17 62.53 3.53 36.98 3 0 19.98 -999 ? MG MG B 701 >GLN~A 255 68.87 4.70 41.26 69.82 4.58 43.19 69.34 4.64 42.23 2 0 28.38 -999 ? MG MG B 701 >SER~A 256 68.19 1.16 36.27 69.40 -0.26 37.83 68.80 0.45 37.05 2 0 22.42 -999 ? MG MG B 701 >GLY~A 257 64.56 0.21 35.89 64.86 0.29 36.62 64.71 0.25 36.26 1 0 18.38 -999 ? MG MG B 701 >ARG~A 258 65.98 -2.88 40.97 66.14 -4.57 38.35 66.06 -3.73 39.66 2 0 19.65 -999 ? MG MG B 701 >PHE^A 259 60.86 3.12 42.58 59.55 5.17 41.16 60.21 4.14 41.87 3 0 23.41 -999 ? MG MG B 701 >VAL^A 260 65.85 1.49 45.31 67.81 0.90 44.49 66.83 1.19 44.90 3 0 26.92 -999 ? MG MG B 701 >ARG^A 261 64.47 3.15 51.80 64.61 3.05 54.85 64.54 3.10 53.33 2 0 35.46 -999 ? MG MG B 701 >GLN~A 262 67.35 7.07 47.38 69.09 6.21 46.49 68.22 6.64 46.93 2 0 31.22 -999 ? MG MG B 701 >VAL~B 65 88.53 -23.04 59.54 89.01 -25.19 59.33 88.77 -24.12 59.44 3 0 52.54 -999 ? MG MG B 701 >ALA~B 66 85.39 -21.21 58.22 84.23 -20.68 59.05 84.81 -20.94 58.64 2 0 48.45 -999 ? MG MG B 701 >GLY~B 67 86.06 -19.11 55.10 85.43 -19.01 55.62 85.75 -19.06 55.36 1 0 46.35 -999 ? MG MG B 701 >GLU~B 68 85.21 -13.08 54.11 86.12 -11.45 53.05 85.66 -12.27 53.58 2 0 43.73 -999 ? MG MG B 701 >LEU~B 69 81.55 -17.18 51.26 79.78 -16.99 49.97 80.66 -17.08 50.61 3 0 39.10 -999 ? MG MG B 701 >GLU~B 70 80.85 -20.85 57.05 81.87 -22.62 57.55 81.36 -21.74 57.30 2 0 46.48 -999 ? MG MG B 701 >ARG~B 71 84.61 -16.28 59.56 86.63 -14.84 57.69 85.62 -15.56 58.63 2 0 47.78 -999 ? MG MG B 701 >CYH~B 72 79.11 -13.84 55.95 80.97 -12.20 54.68 80.04 -13.02 55.32 2 0 41.54 -999 ? MG MG B 701 >PHE~B 73 75.10 -18.32 54.35 72.78 -19.57 53.51 73.94 -18.94 53.93 3 0 38.23 -999 ? MG MG B 701 >LEU~B 74 76.89 -17.71 59.97 77.15 -19.85 60.11 77.02 -18.78 60.04 3 0 44.78 -999 ? MG MG B 701 >ALA~B 75 75.83 -13.23 59.70 77.14 -12.38 59.76 76.49 -12.81 59.73 2 0 43.51 -999 ? MG MG B 701 >MET?B 76 73.39 -12.45 56.87 72.36 -13.86 52.98 72.88 -13.15 54.92 2 0 35.51 -999 ? MG MG B 701 >PRO~B 77 71.62 -8.60 57.41 70.93 -10.72 57.56 71.28 -9.66 57.49 3 0 38.56 -999 ? MG MG B 701 >GLU~B 78 64.90 -13.57 57.96 63.80 -14.17 59.70 64.35 -13.87 58.83 2 0 38.64 -999 ? MG MG B 701 >SER~B 79 65.87 -9.61 54.86 67.18 -7.64 55.36 66.53 -8.62 55.11 2 0 34.99 -999 ? MG MG B 701 >VAL~B 80 68.46 -10.66 52.29 70.56 -10.04 52.10 69.51 -10.35 52.19 3 0 33.08 -999 ? MG MG B 701 >LEU~B 81 67.98 -15.18 52.28 68.16 -17.07 51.20 68.07 -16.13 51.74 3 0 32.98 -999 ? MG MG B 701 >PRO~B 82 62.99 -12.16 52.16 63.99 -13.78 53.41 63.49 -12.97 52.78 3 0 31.76 -999 ? MG MG B 701 >ILE~B 83 62.55 -17.91 51.24 62.12 -18.43 50.94 62.33 -18.17 51.09 3 0 31.13 -999 ? MG MG B 701 >VAL~B 84 63.86 -18.76 55.66 65.27 -20.12 54.64 64.56 -19.44 55.15 3 0 35.81 -999 ? MG MG B 701 >THR~B 85 64.58 -17.53 59.23 63.29 -18.66 60.55 63.94 -18.10 59.89 2 0 40.29 -999 ? MG MG B 701 >MET?B 86 68.18 -16.97 60.37 69.98 -13.36 61.74 69.08 -15.16 61.05 2 0 42.27 -999 ? MG MG B 701 >GLU~B 87 66.89 -21.09 64.87 65.61 -20.97 66.54 66.25 -21.03 65.70 2 0 47.03 -999 ? MG MG B 701 >GLU~B 88 64.81 -21.91 58.58 62.70 -21.80 58.39 63.76 -21.85 58.49 2 0 39.12 -999 ? MG MG B 701 >ARG~B 89 70.16 -17.97 55.88 70.89 -15.54 57.64 70.52 -16.75 56.76 2 0 39.23 -999 ? MG MG B 701 >ASN~B 90 72.19 -20.15 61.00 72.72 -18.20 60.27 72.45 -19.18 60.63 2 0 42.88 -999 ? MG MG B 701 >ASP~B 91 69.68 -24.93 62.08 69.33 -24.21 64.01 69.50 -24.57 63.04 2 0 46.73 -999 ? MG MG B 701 >LEU~B 92 70.15 -25.59 56.83 70.23 -26.19 54.69 70.19 -25.89 55.76 3 0 40.63 -999 ? MG MG B 701 >CYH~B 93 74.48 -24.31 57.35 76.42 -22.43 56.76 75.45 -23.37 57.05 2 0 42.85 -999 ? MG MG B 701 >ARG~B 94 76.29 -23.20 63.54 75.68 -20.19 63.65 75.98 -21.70 63.60 2 0 47.57 -999 ? MG MG B 701 >ARG~B 95 71.08 -30.47 60.44 68.82 -28.47 59.67 69.95 -29.47 60.06 2 0 44.55 -999 ? MG MG B 701 >ALA~B 96 77.10 -29.00 56.84 77.04 -27.87 55.77 77.07 -28.43 56.30 2 0 44.52 -999 ? MG MG B 701 >GLY~B 97 80.06 -28.26 59.07 79.69 -27.83 58.38 79.88 -28.04 58.72 1 0 48.68 -999 ? MG MG B 701 >HIS~B 98 84.18 -25.10 59.33 84.20 -24.17 61.22 84.19 -24.64 60.27 3 0 50.51 -999 ? MG MG B 701 >LEU~B 99 81.39 -23.82 53.26 79.24 -23.51 53.65 80.31 -23.66 53.46 3 0 42.90 -999 ? MG MG B 701 >SER~B 100 84.70 -26.50 51.42 84.08 -28.81 51.12 84.39 -27.66 51.27 2 0 45.77 -999 ? MG MG B 701 >GLY~B 101 85.46 -26.82 47.74 85.02 -27.36 48.17 85.24 -27.09 47.96 1 0 43.78 -999 ? MG MG B 701 >PHE~B 102 84.71 -31.62 47.90 87.16 -32.75 47.13 85.94 -32.19 47.51 3 0 46.53 -999 ? MG MG B 701 >THR~B 103 79.49 -28.27 47.31 78.51 -27.23 45.65 79.00 -27.75 46.48 2 0 38.15 -999 ? MG MG B 701 >HIS^B 104 76.52 -29.94 52.39 75.18 -30.89 53.68 75.85 -30.42 53.03 3 0 43.18 -999 ? MG MG B 701 >THR^B 105 73.55 -30.07 49.09 72.87 -30.65 47.12 73.21 -30.36 48.11 2 0 37.87 -999 ? MG MG B 701 >ALA^B 106 70.76 -29.74 51.68 71.32 -29.23 53.03 71.04 -29.49 52.36 2 0 40.55 -999 ? MG MG B 701 >SER^B 107 67.06 -28.86 51.54 65.90 -30.87 50.74 66.48 -29.87 51.14 2 0 37.85 -999 ? MG MG B 701 >LEU^B 108 64.83 -26.80 55.02 64.92 -24.61 55.22 64.88 -25.71 55.12 3 0 38.32 -999 ? MG MG B 701 >GLU^B 109 59.57 -29.27 53.23 59.54 -28.97 51.11 59.55 -29.12 52.17 2 0 35.66 -999 ? MG MG B 701 >SER~B 110 59.95 -23.29 54.22 59.15 -22.24 52.19 59.55 -22.76 53.20 2 0 33.08 -999 ? MG MG B 701 >SER~B 111 56.74 -22.11 55.96 57.39 -19.94 56.97 57.07 -21.02 56.46 2 0 36.45 -999 ? MG MG B 701 >GLY~B 114 57.80 -24.83 49.60 58.36 -24.34 49.94 58.08 -24.58 49.77 1 0 31.92 -999 ? MG MG B 701 >THR^B 115 61.14 -26.63 49.14 61.60 -28.67 48.58 61.37 -27.65 48.86 2 0 33.84 -999 ? MG MG B 701 >VAL^B 116 64.32 -24.62 49.38 64.39 -22.62 50.26 64.35 -23.62 49.82 3 0 32.74 -999 ? MG MG B 701 >THR^B 117 67.56 -26.21 48.19 67.67 -27.81 46.75 67.62 -27.01 47.47 2 0 33.70 -999 ? MG MG B 701 >PHE^B 118 70.13 -23.91 51.57 68.23 -22.26 52.74 69.18 -23.08 52.15 3 0 36.09 -999 ? MG MG B 701 >LEU^B 119 74.33 -25.47 46.06 73.42 -26.96 44.69 73.88 -26.22 45.38 3 0 34.76 -999 ? MG MG B 701 >LEU^B 120 76.61 -24.99 51.50 74.97 -24.15 52.59 75.79 -24.57 52.05 3 0 39.69 -999 ? MG MG B 701 >ASN~B 121 80.51 -24.09 47.29 82.46 -24.55 46.48 81.48 -24.32 46.89 2 0 40.01 -999 ? MG MG B 701 >ARG~B 122 87.17 -22.65 51.01 87.65 -22.59 54.06 87.41 -22.62 52.54 2 0 47.68 -999 ? MG MG B 701 >ASN~B 123 84.46 -20.26 46.14 86.41 -20.49 46.97 85.44 -20.38 46.55 2 0 41.71 -999 ? MG MG B 701 >PHE~B 124 79.51 -21.13 44.47 79.25 -23.80 43.75 79.38 -22.46 44.11 3 0 35.62 -999 ? MG MG B 701 >ILE^B 125 75.96 -19.65 49.20 75.74 -19.79 50.63 75.85 -19.72 49.91 3 0 36.34 -999 ? MG MG B 701 >ARG^B 126 72.93 -22.54 42.02 74.52 -21.06 39.83 73.73 -21.80 40.92 2 0 29.16 -999 ? MG MG B 701 >ILE^B 127 69.35 -20.07 48.18 69.71 -19.58 48.90 69.53 -19.83 48.54 3 0 32.01 -999 ? MG MG B 701 >GLN^B 128 68.67 -23.51 43.42 69.56 -25.25 42.57 69.11 -24.38 42.99 2 0 30.14 -999 ? MG MG B 701 >THR^B 129 63.38 -21.79 45.89 62.66 -20.11 47.05 63.02 -20.95 46.47 2 0 28.33 -999 ? MG MG B 701 >SER~B 130 61.05 -24.32 44.24 59.24 -23.87 45.75 60.14 -24.09 45.00 2 0 28.37 -999 ? MG MG B 701 >THR~B 131 60.93 -23.85 40.47 59.33 -25.15 39.73 60.13 -24.50 40.10 2 0 24.60 -999 ? MG MG B 701 >VAL~B 132 60.35 -20.20 41.35 58.98 -19.37 42.83 59.67 -19.79 42.09 3 0 23.24 -999 ? MG MG B 701 >GLY^B 133 63.80 -18.70 41.45 63.81 -19.34 41.96 63.81 -19.02 41.70 1 0 23.40 -999 ? MG MG B 701 >GLU^B 134 69.63 -18.91 41.63 70.61 -19.62 39.97 70.12 -19.27 40.80 2 0 26.11 -999 ? MG MG B 701 >VAL^B 135 69.75 -16.57 44.71 69.22 -15.25 46.34 69.48 -15.91 45.52 3 0 28.27 -999 ? MG MG B 701 >PHE^B 136 75.25 -17.57 42.31 77.88 -18.52 41.97 76.56 -18.05 42.14 3 0 30.83 -999 ? MG MG B 701 >MET?B 137 76.13 -15.11 46.04 74.78 -15.39 50.11 75.46 -15.25 48.08 2 0 34.72 -999 ? MG MG B 701 >ARG^B 138 81.28 -15.50 42.88 84.08 -15.53 41.69 82.68 -15.52 42.28 2 0 35.64 -999 ? MG MG B 701 >ILE^B 139 83.27 -12.61 48.94 83.55 -12.47 50.31 83.41 -12.54 49.63 3 0 39.53 -999 ? MG MG B 701 >LEU^B 140 83.63 -9.67 43.90 82.45 -10.68 42.35 83.04 -10.18 43.13 3 0 34.88 -999 ? MG MG B 701 >PRO^B 141 88.47 -9.58 43.73 87.15 -8.92 45.38 87.81 -9.25 44.56 3 0 39.56 -999 ? MG MG B 701 >PHE~B 142 86.08 -2.81 46.36 85.54 -0.20 45.70 85.81 -1.51 46.03 3 0 39.32 -999 ? MG MG B 701 >SER~B 143 90.48 -3.13 47.60 89.69 -2.19 49.67 90.08 -2.66 48.64 2 0 44.45 -999 ? MG MG B 701 >ASP~B 144 94.61 -4.13 49.96 95.84 -4.32 48.22 95.23 -4.22 49.09 2 0 48.42 -999 ? MG MG B 701 >SER~B 145 91.16 -3.94 52.87 90.08 -1.82 52.87 90.62 -2.88 52.87 2 0 46.81 -999 ? MG MG B 701 >SER~B 146 87.67 -4.57 51.59 87.26 -2.47 52.75 87.46 -3.52 52.17 2 0 44.57 -999 ? MG MG B 701 >SER^B 147 85.67 -7.01 49.55 87.33 -8.74 49.65 86.50 -7.88 49.60 2 0 42.22 -999 ? MG MG B 701 >VAL^B 148 82.04 -6.86 48.43 82.12 -5.42 46.76 82.08 -6.14 47.60 3 0 36.96 -999 ? MG MG B 701 >ILE^B 149 78.40 -9.76 49.57 78.00 -10.64 50.68 78.20 -10.20 50.12 3 0 36.12 -999 ? MG MG B 701 >CYH^B 150 77.46 -9.77 45.05 77.37 -9.94 42.24 77.42 -9.86 43.65 2 0 29.89 -999 ? MG MG B 701 >VAL^B 151 74.01 -11.29 45.17 72.94 -11.49 47.06 73.47 -11.39 46.11 3 0 30.14 -999 ? MG MG B 701 >VAL^B 152 72.25 -12.29 41.96 73.36 -12.62 40.07 72.80 -12.46 41.01 3 0 26.04 -999 ? MG MG B 701 >THR^B 153 68.50 -12.99 42.25 67.26 -12.32 43.93 67.88 -12.66 43.09 2 0 25.01 -999 ? MG MG B 701 >THR^B 154 66.76 -14.70 39.39 67.99 -15.56 37.81 67.38 -15.13 38.60 2 0 21.42 -999 ? MG MG B 701 >VAL~B 155 63.08 -15.31 38.87 61.29 -14.21 39.32 62.18 -14.76 39.10 3 0 19.23 -999 ? MG MG B 701 >LEU~B 156 62.90 -19.58 37.07 65.03 -20.26 37.42 63.97 -19.92 37.25 3 0 20.91 -999 ? MG MG B 701 >HIS~B 157 58.96 -20.41 35.42 60.06 -22.12 34.89 59.51 -21.26 35.15 3 0 18.79 -999 ? MG MG B 701 >PRO~B 158 55.67 -15.08 33.51 57.33 -16.51 33.76 56.50 -15.79 33.64 3 0 13.57 -999 ? MG MG B 701 >VAL~B 159 60.71 -15.88 31.76 61.27 -14.93 29.83 60.99 -15.41 30.80 3 0 12.57 -999 ? MG MG B 701 >ALA~B 160 64.13 -15.84 33.51 65.33 -16.77 33.15 64.73 -16.30 33.33 2 0 17.20 -999 ? MG MG B 701 >ASP^B 161 63.88 -11.38 34.74 64.49 -9.36 34.64 64.19 -10.37 34.69 2 0 15.44 -999 ? MG MG B 701 >SER^B 162 67.92 -11.32 37.08 69.18 -13.29 36.33 68.55 -12.30 36.70 2 0 20.48 -999 ? MG MG B 701 >ARG^B 163 66.22 -8.44 41.95 64.50 -6.02 42.66 65.36 -7.23 42.31 2 0 22.33 -999 ? MG MG B 701 >ILE^B 164 73.52 -7.76 40.02 74.75 -8.31 39.37 74.14 -8.04 39.69 3 0 25.72 -999 ? MG MG B 701 >ASP^B 165 71.61 -6.68 45.38 69.65 -6.30 44.66 70.63 -6.49 45.02 2 0 26.59 -999 ? MG MG B 701 >PHE^B 166 77.21 -5.09 44.06 77.80 -6.03 41.49 77.50 -5.56 42.78 3 0 30.39 -999 ? MG MG B 701 >TYR^B 167 74.51 -6.62 50.39 71.88 -7.09 49.71 73.20 -6.85 50.05 3 0 33.00 -999 ? MG MG B 701 >THR^B 168 79.61 -4.74 52.17 79.36 -3.15 53.62 79.49 -3.94 52.89 2 0 39.79 -999 ? MG MG B 701 >THR~B 169 80.90 -7.97 53.82 83.02 -8.15 53.47 81.96 -8.06 53.64 2 0 41.74 -999 ? MG MG B 701 >GLU~B 170 80.92 -5.65 58.14 82.41 -5.69 56.60 81.66 -5.67 57.37 2 0 43.78 -999 ? MG MG B 701 >TRP~B 171 75.95 -9.87 56.13 75.11 -11.27 52.54 75.53 -10.57 54.34 3 0 37.92 -999 ? MG MG B 701 >LYS~B 172 75.30 -2.84 54.33 79.74 -2.40 56.36 77.52 -2.62 55.34 2 0 42.28 -999 ? MG MG B 701 >PRO^B 173 71.61 -2.22 52.09 73.82 -2.28 51.66 72.72 -2.25 51.88 3 0 34.75 -999 ? MG MG B 701 >LEU^B 174 77.29 -1.13 48.05 78.94 -1.23 49.51 78.11 -1.18 48.78 3 0 35.65 -999 ? MG MG B 701 >LYS~B 175 75.00 1.45 45.20 75.48 7.65 46.06 75.24 4.55 45.63 2 0 34.92 -999 ? MG MG B 701 >THR~B 176 74.72 -1.13 42.39 73.08 -2.40 41.76 73.90 -1.77 42.07 2 0 27.00 -999 ? MG MG B 701 >ASP~B 177 75.29 2.41 39.09 75.08 4.12 40.31 75.18 3.26 39.70 2 0 29.47 -999 ? MG MG B 701 >ARG~B 178 79.48 2.47 45.22 81.37 1.59 47.51 80.42 2.03 46.37 2 0 37.59 -999 ? MG MG B 701 >PHE~B 179 80.09 -2.55 42.63 80.83 -1.68 45.20 80.46 -2.12 43.91 3 0 33.79 -999 ? MG MG B 701 >TRP~B 180 74.18 -4.52 37.27 75.71 -6.65 34.39 74.94 -5.59 35.83 3 0 24.13 -999 ? MG MG B 701 >GLN~B 181 77.70 0.67 34.11 77.27 1.52 36.00 77.49 1.10 35.06 2 0 27.77 -999 ? MG MG B 701 >GLN~B 182 70.28 -3.80 33.26 70.35 -5.77 34.00 70.31 -4.79 33.63 2 0 19.32 -999 ? MG MG B 701 >PRO~B 183 73.67 -5.83 30.03 73.11 -3.66 30.27 73.39 -4.75 30.15 3 0 20.23 -999 ? MG MG B 701 >ARG~B 184 70.96 1.73 26.45 71.21 2.29 23.40 71.08 2.01 24.93 2 0 19.31 -999 ? MG MG B 701 >ILE~B 185 67.01 -4.70 24.69 66.73 -5.41 24.38 66.87 -5.05 24.53 3 0 12.47 -999 ? MG MG B 701 >GLU~B 186 69.45 -0.46 21.54 67.97 0.05 22.96 68.71 -0.20 22.25 2 0 15.37 -999 ? MG MG B 701 >ASP~B 187 74.06 -4.33 24.81 74.57 -2.40 25.55 74.32 -3.36 25.18 2 0 20.66 -999 ? MG MG B 701 >PHE~B 188 71.48 -8.55 24.27 72.09 -8.90 26.93 71.79 -8.73 25.60 3 0 17.15 -999 ? MG MG B 701 >PHE~B 189 69.85 -4.50 18.58 67.45 -3.45 19.57 68.65 -3.97 19.07 3 0 14.75 -999 ? MG MG B 701 >LEU~B 190 72.91 -8.70 14.44 72.60 -10.86 14.70 72.75 -9.78 14.57 3 0 19.63 -999 ? MG MG B 701 >PRO~B 191 77.48 -7.14 14.08 75.57 -6.02 14.05 76.53 -6.58 14.06 3 0 23.28 -999 ? MG MG B 701 >HIS~B 192 76.10 -2.97 9.85 78.15 -2.61 9.73 77.13 -2.79 9.79 3 0 26.17 -999 ? MG MG B 701 >THR~B 193 70.69 -3.40 12.79 69.76 -4.18 14.57 70.23 -3.79 13.68 2 0 17.32 -999 ? MG MG B 701 >ASP~B 194 67.87 -2.29 9.08 66.66 -1.03 7.91 67.26 -1.66 8.50 2 0 20.07 -999 ? MG MG B 701 >ARG~B 195 67.86 1.55 15.86 69.38 1.19 18.53 68.62 1.37 17.20 2 0 17.65 -999 ? MG MG B 701 >GLN~B 196 64.73 3.27 9.25 63.59 4.24 10.79 64.16 3.75 10.02 2 0 19.13 -999 ? MG MG B 701 >SER~B 197 63.16 -2.65 8.83 64.00 -4.20 10.56 63.58 -3.43 9.70 2 0 15.56 -999 ? MG MG B 701 >TYR~B 198 57.70 -5.58 8.01 55.21 -6.68 8.56 56.46 -6.13 8.28 3 0 14.53 -999 ? MG MG B 701 >ALA~B 199 61.06 -6.74 11.45 62.28 -7.68 11.21 61.67 -7.21 11.33 2 0 13.57 -999 ? MG MG B 701 >TYR~B 200 64.00 -2.37 14.81 64.76 -0.92 17.07 64.38 -1.64 15.94 3 0 13.23 -999 ? MG MG B 701 >GLN~B 201 59.67 -0.46 11.60 59.85 1.48 12.40 59.76 0.51 12.00 2 0 14.81 -999 ? MG MG B 701 >ALA~B 202 57.10 -5.05 14.49 56.96 -6.30 13.56 57.03 -5.67 14.02 2 0 9.43 -999 ? MG MG B 701 >ILE~B 203 60.45 -7.07 17.20 59.92 -8.34 17.65 60.18 -7.71 17.43 3 0 7.39 -999 ? MG MG B 701 >TYR~B 204 60.36 -0.30 19.04 61.29 1.75 20.68 60.82 0.72 19.86 3 0 10.93 -999 ? MG MG B 701 >ALA~B 205 57.40 -2.45 21.64 55.93 -2.24 21.43 56.67 -2.35 21.53 2 0 6.01 -999 ? MG MG B 701 >SER~B 206 58.11 -6.07 22.68 56.48 -7.41 21.42 57.29 -6.74 22.05 2 0 -2.06 -999 ? MG MG B 701s >LEU~B 207 62.67 -4.29 22.62 63.56 -5.02 20.73 63.11 -4.66 21.67 3 0 8.92 -999 ? MG MG B 701 >THR~B 208 60.49 -3.20 26.65 60.84 -1.10 26.85 60.67 -2.15 26.75 2 0 10.07 -999 ? MG MG B 701 >PRO~B 209 58.78 -4.58 30.83 60.01 -4.25 29.01 59.40 -4.42 29.92 3 0 9.32 -999 ? MG MG B 701 >SER~B 210 63.63 -6.43 28.51 65.51 -5.02 28.70 64.57 -5.72 28.60 2 0 12.60 -999 ? MG MG B 701 >TYR~B 211 61.93 -10.14 30.57 59.39 -9.09 31.01 60.66 -9.61 30.79 3 0 10.12 -999 ? MG MG B 701 >MET?B 212 67.90 -10.80 31.00 69.79 -7.11 29.87 68.84 -8.95 30.43 2 0 16.58 -999 ? MG MG B 701 >GLN~B 213 69.29 -16.23 33.49 68.51 -18.13 33.12 68.90 -17.18 33.30 2 0 19.92 -999 ? MG MG B 701 >VAL~B 214 72.66 -13.44 34.71 73.34 -11.57 35.66 73.00 -12.50 35.18 3 0 22.47 -999 ? MG MG B 701 >SER~B 215 75.07 -16.26 35.49 76.05 -18.46 35.16 75.56 -17.36 35.33 2 0 26.70 -999 ? MG MG B 701 >LEU~B 216 77.72 -14.51 39.15 79.26 -13.29 40.12 78.49 -13.90 39.64 3 0 29.67 -999 ? MG MG B 701 >SER~B 217 80.79 -17.73 37.60 83.05 -18.57 37.26 81.92 -18.15 37.43 2 0 33.42 -999 ? MG MG B 701 >GLU~B 218 79.74 -21.86 40.41 79.27 -22.32 38.45 79.50 -22.09 39.43 2 0 32.37 -999 ? MG MG B 701 >GLU~B 219 85.46 -21.90 40.90 85.71 -22.21 42.97 85.59 -22.06 41.94 2 0 39.54 -999 ? MG MG B 701 >SER~B 220 86.25 -17.21 37.74 86.54 -18.84 36.01 86.40 -18.03 36.87 2 0 36.00 -999 ? MG MG B 701 >ASP~B 221 87.06 -12.52 38.62 87.72 -12.86 40.65 87.39 -12.69 39.64 2 0 37.75 -999 ? MG MG B 701 >THR^B 222 83.36 -13.27 35.32 84.56 -14.62 34.12 83.96 -13.94 34.72 2 0 32.47 -999 ? MG MG B 701 >LEU^B 223 78.79 -12.35 35.47 77.70 -10.41 35.04 78.24 -11.38 35.26 3 0 26.75 -999 ? MG MG B 701 >SER^B 224 77.48 -13.89 31.52 77.07 -15.32 29.51 77.28 -14.60 30.51 2 0 24.32 -999 ? MG MG B 701 >ILE^B 225 74.09 -10.69 31.19 73.65 -9.33 31.07 73.87 -10.01 31.13 3 0 20.88 -999 ? MG MG B 701 >ARG^B 226 70.51 -17.10 28.75 72.04 -19.70 28.19 71.28 -18.40 28.47 2 0 21.45 -999 ? MG MG B 701 >GLN^B 227 68.72 -11.20 24.26 67.08 -12.21 23.35 67.90 -11.71 23.80 2 0 12.88 -999 ? MG MG B 701 >THR~B 228 65.45 -13.65 27.45 65.67 -14.19 29.51 65.56 -13.92 28.48 2 0 14.18 -999 ? MG MG B 701 >VAL~B 229 63.15 -11.44 25.36 63.12 -9.28 24.84 63.13 -10.36 25.10 3 0 8.89 -999 ? MG MG B 701 >THR~B 230 63.14 -13.74 22.31 64.62 -14.39 20.89 63.88 -14.07 21.60 2 0 11.71 -999 ? MG MG B 701 >GLU~B 231 63.35 -17.79 25.44 64.18 -18.11 27.34 63.77 -17.95 26.39 2 0 14.47 -999 ? MG MG B 701 >THR~B 232 58.56 -14.33 25.39 59.44 -12.56 26.33 59.00 -13.44 25.86 2 0 7.39 -999 ? MG MG B 701 >LEU~B 233 58.66 -13.18 20.71 59.84 -11.35 20.53 59.25 -12.27 20.62 3 0 6.36 -999 ? MG MG B 701 >ALA~B 234 54.81 -14.99 19.68 53.67 -14.24 19.03 54.24 -14.61 19.35 2 0 7.25 -999 ? MG MG B 701 >GLU~B 235 55.24 -20.07 18.27 57.27 -20.40 18.80 56.26 -20.24 18.53 2 0 13.13 -999 ? MG MG B 701 >GLU~B 236 52.91 -14.17 15.05 51.71 -15.48 16.30 52.31 -14.83 15.67 2 0 10.26 -999 ? MG MG B 701 >GLU~B 237 55.73 -11.24 17.28 55.11 -10.45 19.16 55.42 -10.85 18.22 2 0 4.20 -999 ? MG MG B 701 >LYS~B 238 60.37 -14.95 16.47 59.84 -17.17 21.39 60.10 -16.06 18.93 2 0 10.43 -999 ? MG MG B 701 >PRO~B 239 59.71 -16.50 12.36 61.13 -15.12 13.43 60.42 -15.81 12.89 3 0 13.59 -999 ? MG MG B 701 >LEU~B 240 59.94 -10.41 13.04 58.48 -10.02 11.48 59.21 -10.21 12.26 3 0 11.40 -999 ? MG MG B 701 >ALA~B 241 63.24 -10.78 15.96 62.74 -11.32 17.28 62.99 -11.05 16.62 2 0 10.01 -999 ? MG MG B 701 >ALA~B 242 65.94 -13.15 14.66 65.70 -14.54 14.15 65.82 -13.85 14.40 2 0 15.16 -999 ? MG MG B 701 >ILE~B 243 65.84 -9.80 10.99 65.27 -10.02 10.29 65.55 -9.91 10.64 3 0 16.11 -999 ? MG MG B 701 >PHE~B 244 66.55 -6.82 15.21 64.21 -6.58 16.71 65.38 -6.70 15.96 3 0 12.47 -999 ? MG MG B 701 >LEU~B 245 66.89 -9.70 18.93 66.65 -9.22 21.07 66.77 -9.46 20.00 3 0 12.21 -999 ? MG MG B 701 >SER~B 246 71.01 -12.18 18.97 73.33 -12.81 19.38 72.17 -12.49 19.17 2 0 19.29 -999 ? MG MG B 701 >PRO~B 247 70.98 -16.53 19.57 70.79 -14.67 20.86 70.88 -15.60 20.21 3 0 17.82 -999 ? MG MG B 701 >GLU~B 248 75.57 -15.61 20.16 75.32 -17.65 20.76 75.44 -16.63 20.46 2 0 22.62 -999 ? MG MG B 701 >PRO~B 249 75.17 -16.36 26.37 75.14 -14.36 25.30 75.15 -15.36 25.84 3 0 21.76 -999 ? MG MG B 701 >LEU^B 250 76.93 -9.56 26.97 75.85 -8.43 25.40 76.39 -8.99 26.18 3 0 21.79 -999 ? MG MG B 701 >VAL^B 251 80.44 -11.64 29.06 81.80 -13.34 28.83 81.12 -12.49 28.95 3 0 27.32 -999 ? MG MG B 701 >TYR^B 252 79.70 -7.64 31.83 77.94 -6.02 30.43 78.82 -6.83 31.13 3 0 25.41 -999 ? MG MG B 701 >ARG^B 253 89.00 -9.67 33.53 91.76 -9.21 34.95 90.38 -9.44 34.24 2 0 38.87 -999 ? MG MG B 701 >TRP^B 254 86.14 -8.57 40.83 83.12 -6.13 41.56 84.63 -7.35 41.20 3 0 35.06 -999 ? MG MG B 701 >GLN^B 255 87.94 -5.23 34.69 88.63 -5.29 32.68 88.29 -5.26 33.69 2 0 35.30 -999 ? MG MG B 701 >SER~B 256 89.21 -2.78 38.72 90.41 -2.19 36.69 89.81 -2.49 37.70 2 0 38.63 -999 ? MG MG B 701 >GLY~B 257 86.35 -3.07 41.26 86.22 -3.12 40.48 86.29 -3.09 40.87 1 0 36.89 -999 ? MG MG B 701 >ARG^B 258 83.96 -0.40 36.39 82.47 1.91 37.80 83.22 0.75 37.09 2 0 33.01 -999 ? MG MG B 701 >PHE^B 259 80.60 -7.36 37.01 80.46 -9.35 38.95 80.53 -8.36 37.98 3 0 29.88 -999 ? MG MG B 701 >VAL^B 260 83.53 -4.53 32.64 85.34 -3.32 32.46 84.43 -3.92 32.55 3 0 31.42 -999 ? MG MG B 701 >ARG^B 261 79.96 -6.70 27.13 79.05 -6.72 24.18 79.51 -6.71 25.65 2 0 24.22 -999 ? MG MG B 701 >GLN^B 262 85.46 -9.43 29.40 87.00 -7.91 29.55 86.23 -8.67 29.47 2 0 32.82 -999 ? MG MG B 701 >VAL~B 263 84.43 -7.53 23.68 84.88 -5.37 23.73 84.65 -6.45 23.70 3 0 29.80 -999 ? MG MG B 701 >ARG~B 264 89.36 -12.56 22.42 91.87 -14.25 23.18 90.62 -13.40 22.80 2 0 37.47 -999 ? MG MG B 701