REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-SEP-06 2ICU COMPND HYPOTHETICAL PROTEIN YEDK; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 83333; SOURCE 4 STRAIN: K12; SOURCE 5 GENE: YEDK; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PCR2.1-TOPO AUTHOR L.CHEN,Z.J.LIU,Y.LI,M.ZHAO,J.ROSE,A.EBIHARA,S.YOKOYAMA,B.C.WANG, AUTHOR 2 SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS (SECSG),RIKEN AUTHOR 3 STRUCTURAL GENOMICS INITIATIVE,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 4 INITIATIVE (RSGI) HET MSE A 93 8 HET MSE A 135 8 HET MSE A 183 8 HET MSE B 93 8 HET MSE B 135 8 HET MSE B 183 8 >GLY.A 10 55.23 7.86 43.13 56.08 7.88 42.93 55.66 7.87 43.03 1 0 1000.00 -999 ? >ARG.A 11 59.04 6.31 39.31 61.84 6.76 40.54 60.44 6.54 39.93 2 0 1000.00 -999 ? >PHE^A 12 52.55 3.63 37.72 51.46 5.64 36.06 52.00 4.63 36.89 3 0 1000.00 -999 ? >ALA^A 13 54.99 0.18 35.49 55.66 -1.20 35.65 55.32 -0.51 35.57 2 0 1000.00 -999 ? >GLN^A 14 50.96 1.71 31.33 50.28 3.69 30.97 50.62 2.70 31.15 2 0 1000.00 -999 ? >SER.A 15 54.74 -2.14 30.14 54.93 -4.25 31.32 54.83 -3.20 30.73 2 0 1000.00 -999 ? >GLN.A 16 51.79 -5.93 29.95 50.41 -7.32 30.82 51.10 -6.62 30.38 2 0 1000.00 -999 ? >THR~A 17 50.05 -3.39 25.05 49.78 -5.19 23.86 49.91 -4.29 24.45 2 0 1000.00 -999 ? >ARG~A 18 47.32 1.62 22.56 49.85 3.36 22.65 48.58 2.49 22.60 2 0 1000.00 -999 ? >GLU~A 19 44.55 -4.54 21.78 43.17 -5.52 20.49 43.86 -5.03 21.14 2 0 1000.00 -999 ? >ASP~A 20 47.82 -6.19 27.71 48.82 -7.53 26.47 48.32 -6.86 27.09 2 0 1000.00 -999 ? >TYR~A 21 47.06 -2.05 30.18 49.71 -2.35 30.97 48.39 -2.20 30.58 3 0 1000.00 -999 ? >LEU~A 22 41.53 -2.11 26.50 41.79 0.00 26.12 41.66 -1.05 26.31 3 0 1000.00 -999 ? >ALA~A 23 40.41 -6.50 27.77 41.32 -7.73 27.79 40.86 -7.11 27.78 2 0 1000.00 -999 ? >LEU.A 24 39.38 -6.51 32.54 39.99 -8.31 33.55 39.69 -7.41 33.04 3 0 1000.00 -999 ? >LEU.A 25 38.15 -1.68 30.80 39.26 -1.05 32.54 38.70 -1.36 31.67 3 0 1000.00 -999 ? >ALA.A 26 35.55 -2.55 27.41 36.00 -1.16 26.97 35.77 -1.85 27.19 2 0 1000.00 -999 ? >GLU~A 27 32.74 -6.26 24.80 30.88 -7.16 24.43 31.81 -6.71 24.62 2 0 1000.00 -999 ? >ASP~A 28 36.12 -4.00 19.83 37.96 -5.02 19.99 37.04 -4.51 19.91 2 0 1000.00 -999 ? >ILE~A 29 31.50 -1.39 19.51 30.40 -2.16 19.26 30.95 -1.77 19.39 3 0 1000.00 -999 ? >GLU~A 30 31.63 -0.77 24.83 31.49 -1.50 26.82 31.56 -1.13 25.82 2 0 1000.00 -999 ? >ARG~A 31 38.61 -0.97 23.16 39.88 -3.69 23.76 39.25 -2.33 23.46 2 0 1000.00 -999 ? >ASP.A 32 37.18 6.38 20.30 38.06 7.50 18.74 37.62 6.94 19.52 2 0 1000.00 -999 ? >ILE.A 33 41.62 3.16 22.34 41.98 3.07 23.70 41.80 3.12 23.02 3 0 1000.00 -999 ? >PRO.A 34 42.97 5.62 17.28 42.90 3.61 18.27 42.94 4.62 17.78 3 0 1000.00 -999 ? >TYR.A 35 45.22 -2.48 16.70 46.69 -4.83 17.14 45.95 -3.65 16.92 3 0 1000.00 -999 ? >ASP.A 36 49.14 1.18 18.81 51.26 1.46 18.68 50.20 1.32 18.74 2 0 1000.00 -999 ? >PRO.A 37 51.01 -3.49 16.46 50.08 -2.88 18.41 50.54 -3.19 17.44 3 0 1000.00 -999 ? >GLU.A 38 55.65 -0.62 20.26 57.14 -1.99 19.61 56.39 -1.30 19.94 2 0 1000.00 -999 ? >PRO.A 39 55.09 -4.59 23.48 53.96 -2.67 23.27 54.53 -3.63 23.38 3 0 1000.00 -999 ? >ILE.A 40 52.74 1.09 27.00 51.66 1.83 27.49 52.20 1.46 27.24 3 0 1000.00 -999 ? >GLY.A 41 57.03 -0.65 27.41 56.65 -0.11 27.81 56.84 -0.38 27.61 1 0 1000.00 -999 ? >ARG^A 42 55.64 5.02 29.65 55.57 7.74 31.02 55.60 6.38 30.34 2 0 1000.00 -999 ? >TYR^A 43 59.65 -2.20 32.39 58.99 -4.32 30.69 59.32 -3.26 31.54 3 0 1000.00 -999 ? >ASN^A 44 61.00 3.10 35.60 61.77 4.15 37.31 61.39 3.62 36.46 2 0 1000.00 -999 ? >VAL^A 45 56.75 5.69 35.06 54.84 5.49 34.06 55.79 5.59 34.56 3 0 1000.00 -999 ? >ALA.A 46 57.58 8.93 36.89 59.03 9.37 36.80 58.31 9.15 36.85 2 0 1000.00 -999 ? >PRO.A 47 55.86 11.24 40.13 55.97 11.40 37.90 55.91 11.32 39.02 3 0 1000.00 -999 ? >GLY.A 48 55.92 15.03 35.59 55.78 14.28 35.29 55.85 14.65 35.44 1 0 1000.00 -999 ? >THR.A 49 55.88 12.89 32.44 56.88 10.98 32.84 56.38 11.94 32.64 2 0 1000.00 -999 ? >LYS^A 50 52.99 12.41 30.02 52.22 17.06 27.29 52.60 14.73 28.65 2 0 1000.00 -999 ? >VAL^A 51 51.24 9.15 30.84 51.53 8.26 32.84 51.39 8.71 31.84 3 0 1000.00 -999 ? >LEU^A 52 48.69 6.06 28.03 49.39 6.02 25.97 49.04 6.04 27.00 3 0 1000.00 -999 ? >LEU^A 53 45.31 9.35 31.45 44.49 9.92 33.36 44.90 9.63 32.41 3 0 1000.00 -999 ? >LEU^A 54 41.76 4.78 30.59 40.65 3.27 29.43 41.21 4.02 30.01 3 0 1000.00 -999 ? >SER^A 55 38.65 8.17 30.47 39.19 10.28 29.40 38.92 9.23 29.93 2 0 1000.00 -999 ? >GLU^A 56 32.71 7.39 29.11 31.09 6.82 30.32 31.90 7.11 29.71 2 0 1000.00 -999 ? >ARG^A 57 36.60 13.10 25.45 39.50 12.14 25.02 38.05 12.62 25.24 2 0 1000.00 -999 ? >ASP.A 58 32.10 11.27 22.75 32.52 13.35 22.66 32.31 12.31 22.70 2 0 1000.00 -999 ? >GLU.A 59 27.58 8.10 24.86 25.86 7.86 23.66 26.72 7.98 24.26 2 0 1000.00 -999 ? >HIS^A 60 32.94 5.65 21.92 31.48 5.33 20.45 32.21 5.49 21.19 3 0 1000.00 -999 ? >LEU^A 61 37.10 3.76 26.84 36.23 3.02 28.70 36.66 3.39 27.77 3 0 1000.00 -999 ? >HIS^A 62 38.29 9.08 23.95 37.00 9.50 22.35 37.65 9.29 23.15 3 0 1000.00 -999 ? >LEU^A 63 43.95 5.67 25.57 45.42 4.61 26.74 44.69 5.14 26.16 3 0 1000.00 -999 ? >ASP^A 64 44.20 11.59 26.45 42.28 11.56 25.60 43.24 11.57 26.02 2 0 1000.00 -999 ? >PRO^A 65 48.85 12.17 24.75 48.01 11.21 26.62 48.43 11.69 25.68 3 0 1000.00 -999 ? >VAL^A 66 48.20 13.41 30.15 46.16 13.58 30.90 47.18 13.49 30.52 3 0 1000.00 -999 ? >PHE^A 67 51.73 17.25 33.50 53.53 18.34 35.39 52.63 17.79 34.44 3 0 1000.00 -999 ? >TRP.A 68 50.68 11.82 38.28 53.01 8.77 39.24 51.84 10.30 38.76 3 0 1000.00 -999 ? >GLY.A 69 50.79 16.25 38.04 50.15 16.20 37.53 50.47 16.23 37.79 1 0 1000.00 -999 ? >TYR.A 70 46.10 19.49 39.44 43.92 21.20 39.15 45.01 20.35 39.29 3 0 1000.00 -999 ? >ALA.A 71 49.90 22.58 39.75 51.13 23.05 39.00 50.51 22.81 39.38 2 0 1000.00 -999 ? >PRO.A 72 48.81 24.45 43.46 48.22 24.73 41.32 48.51 24.59 42.39 3 0 1000.00 -999 ? >GLY.A 73 48.56 29.07 40.86 48.92 28.64 41.43 48.74 28.85 41.14 1 0 1000.00 -999 ? >PRO.A 78 58.09 19.93 44.45 56.55 21.28 43.48 57.32 20.61 43.97 3 0 1000.00 -999 ? >PRO.A 79 54.38 19.92 39.08 54.07 19.90 41.31 54.22 19.91 40.20 3 0 1000.00 -999 ? >LEU.A 80 49.61 17.98 43.82 49.33 19.32 45.54 49.47 18.65 44.68 3 0 1000.00 -999 ? >ILE.A 81 52.30 13.14 42.05 53.64 12.85 42.33 52.97 13.00 42.19 3 0 1000.00 -999 ? >ASN^A 82 49.06 11.40 45.64 50.44 9.96 44.88 49.75 10.68 45.26 2 0 1000.00 -999 ? >ALA^A 83 45.01 13.05 46.00 43.90 13.51 45.06 44.45 13.28 45.53 2 0 1000.00 -999 ? >ARG^A 84 46.25 12.65 52.10 48.36 11.03 53.59 47.30 11.84 52.84 2 0 1000.00 -999 ? >VAL~A 85 40.67 9.54 49.02 39.83 7.51 49.39 40.25 8.52 49.20 3 0 1000.00 -999 ? >GLU~A 86 41.39 9.11 54.06 43.30 8.56 53.22 42.34 8.84 53.64 2 0 1000.00 -999 ? >THR~A 87 39.77 14.30 51.57 41.59 14.90 52.61 40.68 14.60 52.09 2 0 1000.00 -999 ? >ALA~A 88 39.63 14.60 47.77 40.13 13.59 46.74 39.88 14.09 47.25 2 0 1000.00 -999 ? >ALA~A 89 35.85 14.58 47.39 34.95 13.38 47.65 35.40 13.98 47.52 2 0 1000.00 -999 ? >THR.A 90 35.47 17.44 49.90 35.03 16.25 51.66 35.25 16.84 50.78 2 0 1000.00 -999 ? >SER.A 91 38.73 19.30 49.09 40.87 19.57 47.91 39.80 19.43 48.50 2 0 1000.00 -999 ? >ARG.A 92 36.69 24.55 50.02 34.12 24.92 51.69 35.41 24.73 50.85 2 0 1000.00 -999 ? >MET?A 93 40.97 22.21 45.29 45.21 21.89 44.50 43.09 22.05 44.89 2 0 1000.00 -999 ? >PHE~A 94 42.19 17.67 44.91 44.99 17.91 45.10 43.59 17.79 45.00 3 0 1000.00 -999 ? >LYS~A 95 36.14 18.43 44.73 33.29 22.38 47.90 34.72 20.41 46.32 2 0 1000.00 -999 ? >PRO~A 96 35.94 21.92 42.04 35.64 19.69 41.90 35.79 20.80 41.97 3 0 1000.00 -999 ? >LEU~A 97 39.36 17.18 39.89 40.62 18.75 39.09 39.99 17.97 39.49 3 0 1000.00 -999 ? >TRP~A 98 34.29 12.82 44.12 37.12 10.23 45.11 35.70 11.53 44.62 3 0 1000.00 -999 ? >GLN~A 99 31.78 16.78 41.94 30.95 18.65 42.53 31.36 17.72 42.24 2 0 1000.00 -999 ? >HIS~A 100 32.67 18.22 36.75 30.84 18.98 37.46 31.76 18.60 37.11 3 0 1000.00 -999 ? >GLY~A 101 37.55 14.78 35.98 37.17 14.27 36.47 37.36 14.53 36.22 1 0 1000.00 -999 ? >ARG^A 102 34.97 10.13 39.74 32.26 10.74 38.40 33.61 10.44 39.07 2 0 1000.00 -999 ? >ALA^A 103 39.83 8.80 34.97 40.94 9.62 34.34 40.38 9.21 34.65 2 0 1000.00 -999 ? >ILE^A 104 40.96 4.24 34.85 40.84 3.39 36.01 40.90 3.81 35.43 3 0 1000.00 -999 ? >CYH^A 105 45.48 4.98 34.99 48.13 5.78 34.99 46.81 5.38 34.99 2 0 1000.00 -999 ? >PHE^A 106 45.73 0.99 31.68 46.09 1.86 29.03 45.91 1.43 30.35 3 0 1000.00 -999 ? >ALA^A 107 49.37 -0.38 35.20 49.90 0.47 36.38 49.64 0.04 35.79 2 0 1000.00 -999 ? >ASP.A 108 52.42 -4.10 35.24 52.44 -3.82 33.17 52.43 -3.96 34.21 2 0 1000.00 -999 ? >GLY^A 109 51.76 -2.76 39.46 52.01 -2.14 38.90 51.88 -2.45 39.18 1 0 1000.00 -999 ? >TRP^A 110 52.67 1.19 44.68 49.61 -1.25 45.29 51.14 -0.03 44.99 3 0 1000.00 -999 ? >PHE^A 111 58.26 0.47 41.35 59.00 -0.81 38.97 58.63 -0.17 40.16 3 0 1000.00 -999 ? >GLU^A 112 55.73 2.68 48.95 56.06 4.71 48.32 55.89 3.70 48.64 2 0 1000.00 -999 ? >TRP.A 113 62.79 3.15 47.09 60.35 4.32 44.20 61.57 3.73 45.64 3 0 1000.00 -999 ? >LYS.A 114 60.02 0.78 52.64 59.79 -4.43 56.13 59.91 -1.83 54.38 2 0 1000.00 -999 ? >GLN.A 121 64.14 -3.43 50.37 63.66 -4.95 51.82 63.90 -4.19 51.10 2 0 1000.00 -999 ? >PRO.A 122 63.79 -0.74 45.47 62.46 -0.76 47.30 63.12 -0.75 46.39 3 0 1000.00 -999 ? >PHE^A 123 58.78 -4.11 48.78 60.08 -5.25 50.99 59.43 -4.68 49.89 3 0 1000.00 -999 ? >PHE^A 124 56.59 -4.46 40.85 54.94 -4.41 38.59 55.77 -4.44 39.72 3 0 1000.00 -999 ? >ILE^A 125 52.61 -3.72 45.22 52.53 -3.22 46.29 52.57 -3.47 45.75 3 0 1000.00 -999 ? >TYR^A 126 52.61 -8.07 41.22 54.18 -10.08 42.37 53.39 -9.08 41.80 3 0 1000.00 -999 ? >ARG^A 127 44.52 -7.03 39.71 41.58 -7.87 40.36 43.05 -7.45 40.03 2 0 1000.00 -999 ? >ALA.A 128 48.13 -12.14 42.50 47.60 -12.80 43.77 47.87 -12.47 43.14 2 0 1000.00 -999 ? >ASP.A 129 44.42 -13.11 39.47 43.63 -11.16 39.23 44.03 -12.14 39.35 2 0 1000.00 -999 ? >GLY.A 130 48.28 -11.30 37.08 47.56 -11.06 37.25 47.92 -11.18 37.16 1 0 1000.00 -999 ? >GLN.A 131 43.37 -10.39 35.75 43.10 -10.68 33.63 43.24 -10.53 34.69 2 0 1000.00 -999 ? >PRO.A 132 45.49 -5.45 33.22 46.06 -5.88 35.35 45.77 -5.67 34.28 3 0 1000.00 -999 ? >ILE^A 133 46.50 -2.35 39.41 47.68 -2.28 40.17 47.09 -2.31 39.79 3 0 1000.00 -999 ? >PHE^A 134 41.81 -1.33 35.84 41.91 -3.29 33.87 41.86 -2.31 34.85 3 0 1000.00 -999 ? >MET?A 135 44.28 3.02 39.52 48.56 3.11 40.05 46.42 3.06 39.78 2 0 1000.00 -999 ? >ALA^A 136 41.66 5.71 40.24 40.78 5.81 41.49 41.22 5.76 40.86 2 0 1000.00 -999 ? >ALA^A 137 42.69 9.13 38.97 43.53 9.10 37.71 43.11 9.11 38.34 2 0 1000.00 -999 ? >ILE^A 138 40.56 13.18 40.23 40.30 13.25 41.67 40.43 13.22 40.95 3 0 1000.00 -999 ? >GLY^A 139 42.24 15.48 36.73 41.43 15.49 36.72 41.84 15.49 36.72 1 0 1000.00 -999 ? >SER.A 140 41.42 18.43 34.52 41.70 20.68 33.68 41.56 19.55 34.10 2 0 1000.00 -999 ? >THR.A 141 39.02 17.70 31.65 37.30 16.65 32.42 38.16 17.18 32.03 2 0 1000.00 -999 ? >PRO~A 142 39.29 20.06 27.44 39.17 18.56 29.15 39.23 19.31 28.30 3 0 1000.00 -999 ? >PHE~A 143 41.77 13.98 30.82 41.10 13.61 33.53 41.44 13.80 32.18 3 0 1000.00 -999 ? >GLU~A 144 40.68 16.33 24.02 38.94 15.86 25.14 39.81 16.10 24.58 2 0 1000.00 -999 ? >ARG~A 145 43.12 21.58 28.16 42.71 21.30 31.21 42.91 21.44 29.68 2 0 1000.00 -999 ? >GLY~A 146 47.68 18.15 26.43 47.22 18.76 26.75 47.45 18.45 26.59 1 0 1000.00 -999 ? >ASP.A 147 46.84 20.80 30.44 46.88 22.77 31.24 46.86 21.79 30.84 2 0 1000.00 -999 ? >GLU.A 148 52.59 22.09 28.51 53.50 20.27 27.92 53.05 21.18 28.22 2 0 1000.00 -999 ? >ALA.A 149 50.41 21.89 34.25 50.55 23.40 34.51 50.48 22.64 34.38 2 0 1000.00 -999 ? >GLU.A 150 45.87 23.14 35.45 44.50 24.57 34.79 45.18 23.85 35.12 2 0 1000.00 -999 ? >GLY.A 151 46.98 17.06 34.40 46.60 17.30 35.11 46.79 17.18 34.76 1 0 1000.00 -999 ? >PHE^A 152 46.64 11.84 35.68 48.78 10.02 35.26 47.71 10.93 35.47 3 0 1000.00 -999 ? >LEU^A 153 46.16 13.70 41.30 45.85 15.84 41.62 46.01 14.77 41.46 3 0 1000.00 -999 ? >ILE^A 154 47.72 8.28 41.34 47.31 7.10 40.54 47.51 7.69 40.94 3 0 1000.00 -999 ? >VAL^A 155 43.97 8.81 44.15 41.79 9.08 44.24 42.88 8.94 44.20 3 0 1000.00 -999 ? >THR^A 156 45.58 7.17 47.21 47.33 8.43 47.50 46.46 7.80 47.36 2 0 1000.00 -999 ? >ALA^A 157 44.28 5.29 50.25 43.35 4.11 49.92 43.82 4.70 50.08 2 0 1000.00 -999 ? >ALA^A 158 45.74 4.13 53.55 45.08 4.18 54.92 45.41 4.16 54.23 2 0 1000.00 -999 ? >ALA.A 159 47.82 0.97 53.37 49.23 0.85 53.82 48.53 0.91 53.60 2 0 1000.00 -999 ? >ASP~A 160 44.39 -2.27 53.74 44.46 -2.78 51.66 44.42 -2.52 52.70 2 0 1000.00 -999 ? >GLN~A 161 44.50 -6.57 54.82 43.66 -7.96 53.47 44.08 -7.26 54.14 2 0 1000.00 -999 ? >GLY~A 162 50.24 -6.61 54.85 49.88 -5.95 54.61 50.06 -6.28 54.73 1 0 1000.00 -999 ? >LEU~A 163 49.91 -2.73 51.90 49.92 -3.22 49.79 49.91 -2.98 50.85 3 0 1000.00 -999 ? >VAL~A 164 51.23 -1.47 56.22 49.72 -2.14 57.71 50.48 -1.81 56.97 3 0 1000.00 -999 ? >ASP~A 165 54.97 -4.44 56.97 54.09 -5.10 58.75 54.53 -4.77 57.86 2 0 1000.00 -999 ? >ILE~A 166 55.37 -1.86 52.03 55.58 -2.56 50.73 55.48 -2.21 51.38 3 0 1000.00 -999 ? >HIS.A 167 54.71 4.05 51.95 54.56 6.12 51.65 54.63 5.08 51.80 3 0 1000.00 -999 ? >ASP.A 168 51.63 5.25 56.01 52.51 6.98 55.10 52.07 6.12 55.56 2 0 1000.00 -999 ? >ARG^A 169 48.90 7.54 52.80 45.88 8.03 52.39 47.39 7.78 52.60 2 0 1000.00 -999 ? >ARG^A 170 46.14 0.34 49.57 44.41 -1.37 47.69 45.28 -0.51 48.63 2 0 1000.00 -999 ? >PRO^A 171 48.94 2.73 44.10 47.57 3.47 45.73 48.25 3.10 44.91 3 0 1000.00 -999 ? >LEU.A 172 42.23 4.47 45.22 40.06 4.16 45.29 41.15 4.32 45.26 3 0 1000.00 -999 ? >VAL^A 173 42.95 0.40 42.81 44.51 -1.05 42.41 43.73 -0.33 42.61 3 0 1000.00 -999 ? >LEU^A 174 38.74 0.65 40.77 37.86 2.39 41.78 38.30 1.52 41.27 3 0 1000.00 -999 ? >SER~A 175 37.99 -3.68 40.18 35.68 -3.68 40.80 36.83 -3.68 40.49 2 0 1000.00 -999 ? >PRO~A 176 38.18 -5.91 36.42 37.42 -3.94 37.13 37.80 -4.93 36.77 3 0 1000.00 -999 ? >GLU~A 177 31.19 -3.69 38.37 30.00 -5.19 39.33 30.59 -4.44 38.85 2 0 1000.00 -999 ? >ALA~A 178 34.18 -0.38 39.60 34.81 -0.49 40.98 34.49 -0.43 40.29 2 0 1000.00 -999 ? >ALA~A 179 36.71 1.18 37.18 37.93 0.48 36.57 37.32 0.83 36.88 2 0 1000.00 -999 ? >ARG~A 180 34.51 0.46 31.51 32.41 0.18 29.25 33.46 0.32 30.38 2 0 1000.00 -999 ? >GLU~A 181 30.07 0.95 37.79 28.38 1.50 36.64 29.22 1.23 37.21 2 0 1000.00 -999 ? >TRP~A 182 37.44 6.37 38.04 37.19 8.07 41.59 37.32 7.22 39.82 3 0 1000.00 -999 ? >MET?A 183 34.69 6.68 34.62 37.89 4.88 32.38 36.29 5.78 33.50 2 0 1000.00 -999 ? >ARG~A 184 28.61 4.13 34.47 25.55 4.32 34.94 27.08 4.22 34.70 2 0 1000.00 -999 ? >GLN.A 185 31.40 11.62 31.12 31.54 12.98 29.48 31.47 12.30 30.30 2 0 1000.00 -999 ? >GLU.A 186 25.28 9.01 32.21 24.24 7.42 31.25 24.76 8.22 31.73 2 0 1000.00 -999 ? >ILE.A 187 29.03 7.93 37.99 28.45 6.98 39.00 28.74 7.46 38.49 3 0 1000.00 -999 ? >SER~A 188 28.08 11.95 40.40 26.68 11.38 42.31 27.38 11.67 41.36 2 0 1000.00 -999 ? >GLY~A 189 30.83 12.84 42.90 30.12 12.42 42.97 30.48 12.63 42.94 1 0 1000.00 -999 ? >LYS~A 190 28.65 11.31 45.65 25.25 10.44 49.75 26.95 10.87 47.70 2 0 1000.00 -999 ? >GLU~A 191 25.89 7.97 42.52 24.94 8.13 40.64 25.42 8.05 41.58 2 0 1000.00 -999 ? >ALA~A 192 31.92 8.07 42.92 32.70 9.15 42.16 32.31 8.61 42.54 2 0 1000.00 -999 ? >SER~A 193 32.66 8.21 46.67 32.89 10.52 47.31 32.78 9.36 46.99 2 0 1000.00 -999 ? >GLU~A 194 28.35 3.74 47.47 28.77 1.98 46.37 28.56 2.86 46.92 2 0 1000.00 -999 ? >ILE~A 195 32.25 3.84 42.78 31.94 3.80 41.44 32.09 3.82 42.11 3 0 1000.00 -999 ? >ALA~A 196 35.71 4.25 45.59 36.22 5.59 45.85 35.96 4.92 45.72 2 0 1000.00 -999 ? >ALA~A 197 34.82 2.68 48.93 33.83 3.26 49.92 34.32 2.97 49.43 2 0 1000.00 -999 ? >SER~A 198 33.08 -0.50 47.78 31.38 0.08 46.16 32.23 -0.21 46.97 2 0 1000.00 -999 ? >GLY~A 199 35.26 -1.11 44.68 35.64 -0.85 45.30 35.45 -0.98 44.99 1 0 1000.00 -999 ? >CYH~A 200 38.76 -0.72 46.17 40.89 0.19 47.73 39.82 -0.27 46.95 2 0 1000.00 -999 ? >VAL.A 201 40.86 -3.84 45.63 41.60 -4.78 43.79 41.23 -4.31 44.71 3 0 1000.00 -999 ? >PRO~A 202 40.35 -6.71 48.98 41.66 -4.94 48.46 41.01 -5.83 48.72 3 0 1000.00 -999 ? >ALA~A 203 45.63 -5.94 49.87 46.43 -5.45 51.11 46.03 -5.69 50.49 2 0 1000.00 -999 ? >ASN~A 204 43.78 -10.41 50.87 41.83 -9.77 50.39 42.81 -10.09 50.63 2 0 1000.00 -999 ? >GLN.A 205 41.96 -9.52 45.78 40.54 -8.74 44.41 41.25 -9.13 45.09 2 0 1000.00 -999 ? >PHE^A 206 47.51 -5.88 45.68 45.72 -3.87 44.88 46.62 -4.88 45.28 3 0 1000.00 -999 ? >SER^A 207 51.44 -9.98 45.92 50.77 -12.23 45.31 51.10 -11.10 45.61 2 0 1000.00 -999 ? >TRP^A 208 55.15 -7.24 49.56 51.35 -7.45 50.57 53.25 -7.34 50.06 3 0 1000.00 -999 ? >HIS^A 209 58.75 -9.32 43.83 58.43 -8.94 41.79 58.59 -9.13 42.81 3 0 1000.00 -999 ? >PRO^A 210 62.12 -7.82 48.62 61.13 -6.99 46.78 61.62 -7.40 47.70 3 0 1000.00 -999 ? >VAL.A 211 63.19 -5.29 43.42 61.46 -4.32 42.50 62.33 -4.81 42.96 3 0 1000.00 -999 ? >SER~A 212 66.51 -3.69 42.46 68.30 -2.85 41.07 67.41 -3.27 41.76 2 0 1000.00 -999 ? >ARG~A 213 68.99 0.50 47.34 69.99 -1.02 49.82 69.49 -0.26 48.58 2 0 1000.00 -999 ? >ALA~A 214 68.04 0.79 40.29 68.48 -0.15 39.18 68.26 0.32 39.74 2 0 1000.00 -999 ? >VAL~A 215 64.35 1.76 39.97 62.44 1.26 40.94 63.39 1.51 40.46 3 0 1000.00 -999 ? >GLY~A 216 65.12 4.88 42.05 65.29 4.74 41.28 65.20 4.81 41.66 1 0 1000.00 -999 ? >ASN~A 217 68.40 6.29 38.82 69.32 7.78 37.59 68.86 7.04 38.20 2 0 1000.00 -999 ? >VAL.A 218 64.35 7.45 36.43 63.45 9.40 36.95 63.90 8.43 36.69 3 0 1000.00 -999 ? >LYS.A 219 67.01 7.10 33.72 67.57 12.08 31.45 67.29 9.59 32.58 2 0 1000.00 -999 ? >ASN.A 220 67.19 2.63 35.63 69.20 3.03 36.22 68.19 2.83 35.93 2 0 1000.00 -999 ? >GLN.A 221 63.38 4.34 31.52 61.61 4.58 32.70 62.49 4.46 32.11 2 0 1000.00 -999 ? >GLY~A 222 64.66 -1.80 31.74 64.15 -1.55 32.27 64.40 -1.68 32.00 1 0 1000.00 -999 ? >ALA~A 223 62.34 -4.80 32.12 62.16 -5.86 31.04 62.25 -5.33 31.58 2 0 1000.00 -999 ? >GLU~A 224 66.77 -4.92 35.34 66.89 -3.44 33.81 66.83 -4.18 34.57 2 0 1000.00 -999 ? >LEU~A 225 62.93 -1.87 36.90 64.38 -0.29 36.49 63.65 -1.08 36.70 3 0 1000.00 -999 ? >ILE~A 226 58.70 -5.21 37.25 57.91 -5.00 36.10 58.30 -5.10 36.67 3 0 1000.00 -999 ? >GLN~A 227 62.25 -9.40 36.25 60.47 -10.56 36.01 61.36 -9.98 36.13 2 0 1000.00 -999 ? >PRO.A 228 61.47 -12.12 41.37 62.22 -10.00 41.50 61.84 -11.06 41.44 3 0 1000.00 -999 ? >VAL.A 229 65.99 -9.29 43.38 66.89 -7.40 44.08 66.44 -8.35 43.73 3 0 1000.00 -999 ? >GLY.B 10 31.60 -2.81 1.69 30.83 -2.50 1.41 31.22 -2.66 1.55 1 0 1000.00 -999 ? >ARG.B 11 29.06 -1.20 -2.96 26.04 -1.58 -2.51 27.55 -1.39 -2.74 2 0 1000.00 -999 ? >PHE^B 12 35.73 1.36 -2.66 37.17 -0.63 -3.99 36.45 0.37 -3.33 3 0 1000.00 -999 ? >ALA^B 13 34.03 4.87 -5.45 33.40 6.28 -5.47 33.71 5.58 -5.46 2 0 1000.00 -999 ? >GLN^B 14 39.03 3.27 -8.32 39.76 1.28 -8.48 39.40 2.27 -8.40 2 0 1000.00 -999 ? >SER.B 15 35.85 7.12 -10.55 35.32 9.24 -9.51 35.59 8.18 -10.03 2 0 1000.00 -999 ? >GLN.B 16 38.79 10.91 -9.91 39.90 12.22 -8.63 39.35 11.56 -9.27 2 0 1000.00 -999 ? >THR~B 17 41.81 8.31 -14.10 42.41 10.10 -15.17 42.11 9.21 -14.63 2 0 1000.00 -999 ? >ARG~B 18 45.12 3.27 -15.72 42.70 1.52 -16.40 43.91 2.40 -16.06 2 0 1000.00 -999 ? >GLU~B 19 47.72 9.65 -15.77 49.69 8.90 -15.72 48.70 9.27 -15.75 2 0 1000.00 -999 ? >ASP~B 20 43.30 11.13 -10.87 42.69 12.55 -12.29 42.99 11.84 -11.58 2 0 1000.00 -999 ? >TYR~B 21 43.20 6.98 -8.33 40.43 7.27 -8.34 41.82 7.13 -8.33 3 0 1000.00 -999 ? >LEU~B 22 49.56 6.98 -10.27 49.22 4.86 -10.75 49.39 5.92 -10.51 3 0 1000.00 -999 ? >ALA~B 23 50.25 11.32 -8.69 49.38 12.56 -8.90 49.82 11.94 -8.79 2 0 1000.00 -999 ? >LEU.B 24 49.95 11.35 -3.85 49.10 13.21 -3.15 49.53 12.28 -3.50 3 0 1000.00 -999 ? >LEU.B 25 51.51 6.44 -5.18 50.02 5.84 -3.73 50.77 6.14 -4.45 3 0 1000.00 -999 ? >ALA.B 26 55.19 7.31 -7.62 55.23 5.84 -8.03 55.21 6.57 -7.83 2 0 1000.00 -999 ? >ASP~B 28 56.64 8.85 -15.09 54.88 10.02 -15.44 55.76 9.44 -15.26 2 0 1000.00 -999 ? >ILE~B 29 61.15 6.30 -14.19 62.22 7.20 -14.11 61.68 6.75 -14.15 3 0 1000.00 -999 ? >GLU~B 30 59.53 5.50 -9.19 59.19 6.19 -7.23 59.36 5.85 -8.21 2 0 1000.00 -999 ? >ARG~B 31 53.23 5.88 -12.68 51.89 8.65 -12.42 52.56 7.26 -12.55 2 0 1000.00 -999 ? >ASP.B 32 55.38 -1.53 -14.99 55.11 -2.60 -16.80 55.25 -2.07 -15.90 2 0 1000.00 -999 ? >ILE.B 33 50.55 1.71 -14.35 49.80 1.82 -13.12 50.17 1.77 -13.73 3 0 1000.00 -999 ? >PRO.B 34 50.67 -0.78 -19.58 50.51 1.23 -18.61 50.59 0.23 -19.10 3 0 1000.00 -999 ? >TYR.B 35 48.75 7.36 -20.77 47.21 9.71 -20.77 47.98 8.53 -20.77 3 0 1000.00 -999 ? >ASP.B 36 44.43 3.71 -19.79 42.44 3.42 -20.52 43.43 3.57 -20.15 2 0 1000.00 -999 ? >PRO.B 37 43.20 8.26 -22.63 43.62 7.77 -20.49 43.41 8.01 -21.56 3 0 1000.00 -999 ? >GLU.B 38 37.73 5.56 -20.31 36.71 6.97 -21.56 37.22 6.26 -20.94 2 0 1000.00 -999 ? >PRO.B 39 37.50 9.58 -17.05 38.53 7.60 -16.91 38.02 8.59 -16.98 3 0 1000.00 -999 ? >ILE.B 40 38.57 3.84 -12.99 39.45 3.09 -12.21 39.01 3.46 -12.60 3 0 1000.00 -999 ? >GLY.B 41 34.31 5.63 -13.82 34.56 5.08 -13.34 34.44 5.35 -13.58 1 0 1000.00 -999 ? >ARG^B 42 35.01 -0.04 -11.34 34.76 -2.74 -9.96 34.89 -1.39 -10.65 2 0 1000.00 -999 ? >TYR^B 43 30.60 7.37 -9.72 31.80 9.47 -11.11 31.20 8.42 -10.41 3 0 1000.00 -999 ? >ASN^B 44 28.26 2.01 -7.08 27.03 1.11 -5.60 27.65 1.56 -6.34 2 0 1000.00 -999 ? >VAL^B 45 32.42 -0.64 -6.41 34.57 -0.47 -6.81 33.50 -0.56 -6.61 3 0 1000.00 -999 ? >ALA.B 46 31.04 -3.89 -4.94 29.68 -4.34 -5.48 30.36 -4.11 -5.21 2 0 1000.00 -999 ? >PRO.B 47 31.83 -6.25 -1.32 32.31 -6.38 -3.51 32.07 -6.31 -2.41 3 0 1000.00 -999 ? >GLY.B 48 33.00 -10.01 -5.75 33.19 -9.26 -5.99 33.09 -9.63 -5.87 1 0 1000.00 -999 ? >THR.B 49 33.88 -7.84 -8.74 32.84 -5.91 -8.52 33.36 -6.87 -8.63 2 0 1000.00 -999 ? >LYS^B 50 37.37 -7.44 -10.20 38.70 -12.00 -12.63 38.03 -9.72 -11.42 2 0 1000.00 -999 ? >VAL^B 51 38.86 -4.19 -8.90 38.04 -3.30 -7.05 38.45 -3.75 -7.98 3 0 1000.00 -999 ? >LEU^B 52 42.11 -1.12 -10.89 41.90 -1.11 -13.06 42.01 -1.12 -11.98 3 0 1000.00 -999 ? >LEU^B 53 44.37 -4.46 -6.67 44.55 -5.02 -4.57 44.46 -4.74 -5.62 3 0 1000.00 -999 ? >LEU^B 54 47.91 0.09 -6.44 49.33 1.57 -7.24 48.62 0.83 -6.84 3 0 1000.00 -999 ? >SER^B 55 51.04 -3.30 -5.69 50.74 -5.43 -6.85 50.89 -4.36 -6.27 2 0 1000.00 -999 ? >GLU^B 56 57.12 -2.62 -5.34 58.33 -2.15 -3.70 57.73 -2.38 -4.52 2 0 1000.00 -999 ? >ARG^B 57 54.40 -8.28 -10.03 51.69 -7.35 -11.19 53.05 -7.82 -10.61 2 0 1000.00 -999 ? >GLU.B 59 63.28 -3.36 -7.70 62.98 -3.91 -5.68 63.13 -3.64 -6.69 2 0 1000.00 -999 ? >HIS^B 60 59.02 -0.90 -12.20 60.85 -0.54 -13.16 59.94 -0.72 -12.68 3 0 1000.00 -999 ? >LEU^B 61 53.69 1.06 -8.73 53.89 1.78 -6.72 53.79 1.42 -7.72 3 0 1000.00 -999 ? >HIS^B 62 53.24 -4.25 -11.88 54.89 -4.68 -13.10 54.07 -4.46 -12.49 3 0 1000.00 -999 ? >LEU^B 63 47.40 -0.82 -11.95 45.73 0.31 -11.20 46.57 -0.26 -11.57 3 0 1000.00 -999 ? >ASP^B 64 46.82 -6.69 -11.13 48.91 -6.68 -11.42 47.86 -6.69 -11.27 2 0 1000.00 -999 ? >PRO^B 65 42.76 -7.15 -14.06 43.11 -6.28 -12.03 42.93 -6.71 -13.05 3 0 1000.00 -999 ? >VAL^B 66 41.92 -8.49 -8.71 43.70 -8.71 -7.42 42.81 -8.60 -8.07 3 0 1000.00 -999 ? >PHE^B 67 37.53 -12.27 -6.56 35.24 -13.34 -5.35 36.39 -12.81 -5.96 3 0 1000.00 -999 ? >TRP.B 68 37.26 -6.84 -1.62 34.77 -3.77 -1.33 36.02 -5.31 -1.47 3 0 1000.00 -999 ? >GLY.B 69 37.08 -11.28 -1.91 37.89 -11.23 -2.17 37.48 -11.26 -2.04 1 0 1000.00 -999 ? >TYR.B 70 41.22 -14.58 0.80 43.38 -16.32 1.12 42.30 -15.45 0.96 3 0 1000.00 -999 ? >ALA.B 71 37.54 -17.61 0.24 36.51 -18.10 -0.75 37.03 -17.85 -0.26 2 0 1000.00 -999 ? >PRO.B 72 37.68 -19.75 4.05 38.81 -19.81 2.10 38.25 -19.78 3.07 3 0 1000.00 -999 ? >GLY.B 73 38.84 -23.96 0.87 38.41 -23.62 1.40 38.62 -23.79 1.14 1 0 1000.00 -999 ? >ASP.B 76 30.35 -23.15 1.32 28.82 -24.55 1.04 29.58 -23.85 1.18 2 0 1000.00 -999 ? >PRO.B 78 27.83 -14.42 1.35 29.64 -15.72 1.11 28.73 -15.07 1.23 3 0 1000.00 -999 ? >PRO.B 79 33.50 -14.90 -1.93 33.05 -14.77 0.28 33.27 -14.83 -0.83 3 0 1000.00 -999 ? >LEU.B 80 36.60 -12.98 4.01 36.42 -14.36 5.69 36.51 -13.67 4.85 3 0 1000.00 -999 ? >ILE.B 81 34.69 -8.16 1.50 33.31 -7.89 1.35 34.00 -8.03 1.43 3 0 1000.00 -999 ? >ASN^B 82 36.77 -6.39 5.93 35.62 -4.98 4.86 36.19 -5.69 5.39 2 0 1000.00 -999 ? >ALA^B 83 40.46 -8.11 7.41 41.77 -8.58 6.80 41.11 -8.35 7.11 2 0 1000.00 -999 ? >ARG^B 84 37.49 -7.10 13.13 34.80 -5.98 14.13 36.15 -6.54 13.63 2 0 1000.00 -999 ? >VAL~B 85 43.82 -4.62 11.54 44.52 -2.59 12.08 44.17 -3.60 11.81 3 0 1000.00 -999 ? >GLU~B 86 41.72 -4.23 16.23 40.19 -3.64 14.86 40.95 -3.93 15.55 2 0 1000.00 -999 ? >THR~B 87 43.90 -9.44 14.18 41.86 -10.02 14.69 42.88 -9.73 14.44 2 0 1000.00 -999 ? >ALA~B 88 45.16 -9.71 10.59 45.00 -8.69 9.48 45.08 -9.20 10.04 2 0 1000.00 -999 ? >ALA~B 89 48.90 -9.69 11.32 49.71 -8.48 11.85 49.30 -9.08 11.59 2 0 1000.00 -999 ? >THR.B 90 48.53 -12.53 13.87 48.33 -11.36 15.68 48.43 -11.95 14.77 2 0 1000.00 -999 ? >SER.B 91 45.63 -14.40 12.17 43.91 -14.66 10.44 44.77 -14.53 11.30 2 0 1000.00 -999 ? >ARG.B 92 47.27 -19.58 13.57 49.33 -20.01 15.84 48.30 -19.80 14.71 2 0 1000.00 -999 ? >MET?B 93 44.49 -17.33 7.88 40.67 -17.00 5.98 42.58 -17.16 6.93 2 0 1000.00 -999 ? >PHE~B 94 43.48 -12.76 7.15 40.76 -12.98 6.51 42.12 -12.87 6.83 3 0 1000.00 -999 ? >LYS~B 95 49.30 -13.53 8.65 51.13 -17.58 13.16 50.22 -15.55 10.91 2 0 1000.00 -999 ? >PRO~B 96 50.16 -17.07 6.13 50.58 -14.86 6.09 50.37 -15.97 6.11 3 0 1000.00 -999 ? >LEU~B 97 47.59 -12.35 3.15 46.57 -13.88 2.05 47.08 -13.11 2.60 3 0 1000.00 -999 ? >TRP~B 98 51.27 -7.98 8.60 48.32 -5.36 8.77 49.79 -6.67 8.69 3 0 1000.00 -999 ? >GLN~B 99 54.18 -11.97 7.25 54.87 -13.82 8.01 54.53 -12.90 7.63 2 0 1000.00 -999 ? >HIS~B 100 54.81 -13.48 2.06 56.38 -14.25 3.23 55.60 -13.87 2.65 3 0 1000.00 -999 ? >GLY~B 101 50.42 -9.99 -0.10 50.67 -9.48 0.46 50.54 -9.74 0.18 1 0 1000.00 -999 ? >ARG^B 102 51.95 -5.30 4.17 54.89 -6.02 3.57 53.42 -5.66 3.87 2 0 1000.00 -999 ? >ALA^B 103 48.60 -3.94 -1.72 47.71 -4.82 -2.63 48.15 -4.38 -2.18 2 0 1000.00 -999 ? >ILE^B 104 47.57 0.66 -2.14 47.39 1.50 -0.94 47.48 1.08 -1.54 3 0 1000.00 -999 ? >CYH^B 105 43.24 -0.07 -3.28 40.68 -0.85 -4.02 41.96 -0.46 -3.65 2 0 1000.00 -999 ? >PHE^B 106 44.03 3.87 -6.51 44.44 2.97 -9.16 44.23 3.42 -7.83 3 0 1000.00 -999 ? >ALA^B 107 39.52 5.32 -4.18 38.68 4.49 -3.18 39.10 4.90 -3.68 2 0 1000.00 -999 ? >ASP.B 108 36.61 9.10 -4.97 37.20 8.82 -6.96 36.90 8.96 -5.96 2 0 1000.00 -999 ? >GLY^B 109 36.08 7.75 -0.74 35.96 7.13 -1.36 36.02 7.44 -1.05 1 0 1000.00 -999 ? >TRP^B 110 33.54 3.91 4.02 36.38 6.22 5.49 34.96 5.07 4.75 3 0 1000.00 -999 ? >PHE^B 111 29.27 4.73 -0.81 29.38 6.02 -3.28 29.32 5.37 -2.04 3 0 1000.00 -999 ? >GLU^B 112 29.22 2.56 7.22 29.07 0.56 6.54 29.14 1.56 6.88 2 0 1000.00 -999 ? >TRP.B 113 22.86 2.27 3.49 25.98 1.18 1.33 24.42 1.72 2.41 3 0 1000.00 -999 ? >LYS.B 114 24.35 4.86 9.45 23.75 10.20 12.46 24.05 7.53 10.95 2 0 1000.00 -999 ? >GLN.B 121 20.61 4.78 6.51 19.37 3.12 6.07 19.99 3.95 6.29 2 0 1000.00 -999 ? >PRO.B 122 22.67 6.25 1.54 23.43 6.25 3.66 23.05 6.25 2.60 3 0 1000.00 -999 ? >PHE^B 123 26.71 9.48 6.06 24.97 10.83 7.77 25.84 10.16 6.91 3 0 1000.00 -999 ? >PHE^B 124 31.05 9.64 -0.83 33.29 9.46 -2.51 32.17 9.55 -1.67 3 0 1000.00 -999 ? >ILE^B 125 33.57 8.79 4.50 33.33 8.29 5.57 33.45 8.54 5.03 3 0 1000.00 -999 ? >TYR^B 126 34.85 13.07 0.72 33.05 15.10 1.36 33.95 14.08 1.04 3 0 1000.00 -999 ? >ARG^B 127 43.03 11.88 1.57 45.62 12.76 3.03 44.33 12.32 2.30 2 0 1000.00 -999 ? >ALA.B 128 38.86 17.06 3.25 39.02 17.72 4.61 38.94 17.39 3.93 2 0 1000.00 -999 ? >ASP.B 129 43.24 17.96 1.33 44.02 15.98 1.34 43.63 16.97 1.34 2 0 1000.00 -999 ? >GLY.B 130 40.13 16.22 -2.02 40.79 15.95 -1.66 40.46 16.08 -1.84 1 0 1000.00 -999 ? >GLN.B 131 45.22 15.26 -1.96 46.10 15.48 -3.91 45.66 15.37 -2.93 2 0 1000.00 -999 ? >PRO.B 132 43.77 10.36 -4.99 42.70 10.78 -3.06 43.24 10.57 -4.03 3 0 1000.00 -999 ? >ILE^B 133 41.02 7.27 0.71 39.69 7.19 1.08 40.36 7.23 0.89 3 0 1000.00 -999 ? >PHE^B 134 46.55 6.24 -1.36 47.02 8.18 -3.31 46.78 7.21 -2.33 3 0 1000.00 -999 ? >MET?B 135 43.09 1.85 1.41 38.85 1.83 0.71 40.97 1.84 1.06 2 0 1000.00 -999 ? >ALA^B 136 45.39 -0.85 2.85 45.89 -0.96 4.28 45.64 -0.90 3.57 2 0 1000.00 -999 ? >ALA^B 137 44.80 -4.24 1.31 44.35 -4.22 -0.16 44.58 -4.23 0.58 2 0 1000.00 -999 ? >ILE^B 138 46.33 -8.36 3.11 46.14 -8.42 4.54 46.24 -8.39 3.82 3 0 1000.00 -999 ? >GLY^B 139 45.70 -10.60 -0.78 46.48 -10.64 -0.53 46.09 -10.62 -0.66 1 0 1000.00 -999 ? >SER.B 140 47.08 -13.57 -2.62 47.04 -15.80 -3.52 47.06 -14.69 -3.07 2 0 1000.00 -999 ? >THR.B 141 50.19 -12.87 -4.69 51.58 -11.85 -3.43 50.89 -12.36 -4.06 2 0 1000.00 -999 ? >PRO~B 142 51.15 -15.24 -8.78 50.76 -13.73 -7.13 50.96 -14.48 -7.95 3 0 1000.00 -999 ? >PHE~B 143 47.85 -9.10 -6.24 47.74 -8.73 -3.46 47.80 -8.91 -4.85 3 0 1000.00 -999 ? >GLU~B 144 50.84 -11.46 -12.49 52.15 -11.05 -10.87 51.50 -11.25 -11.68 2 0 1000.00 -999 ? >ARG~B 145 47.32 -16.71 -9.21 46.81 -16.46 -6.20 47.07 -16.59 -7.70 2 0 1000.00 -999 ? >GLY~B 146 43.48 -13.27 -12.08 43.79 -13.86 -11.66 43.64 -13.56 -11.87 1 0 1000.00 -999 ? >ASP.B 147 42.97 -15.89 -8.00 42.69 -17.84 -7.23 42.83 -16.86 -7.62 2 0 1000.00 -999 ? >GLU.B 148 38.00 -16.97 -11.53 37.66 -18.70 -12.72 37.83 -17.83 -12.12 2 0 1000.00 -999 ? >ALA.B 149 38.51 -16.95 -5.41 38.35 -18.46 -5.21 38.43 -17.71 -5.31 2 0 1000.00 -999 ? >GLU.B 150 42.63 -18.31 -3.03 44.17 -19.71 -3.35 43.40 -19.01 -3.19 2 0 1000.00 -999 ? >GLY.B 151 41.69 -12.20 -4.25 41.91 -12.45 -3.49 41.80 -12.32 -3.87 1 0 1000.00 -999 ? >PHE^B 152 41.89 -6.97 -2.96 40.02 -5.08 -3.94 40.96 -6.02 -3.45 3 0 1000.00 -999 ? >LEU^B 153 40.68 -8.75 2.55 40.67 -10.85 2.99 40.67 -9.80 2.77 3 0 1000.00 -999 ? >ILE^B 154 39.22 -3.35 2.17 39.82 -2.14 1.51 39.52 -2.75 1.84 3 0 1000.00 -999 ? >VAL^B 155 41.99 -3.89 5.92 44.03 -4.23 6.65 43.01 -4.06 6.28 3 0 1000.00 -999 ? >THR^B 156 39.62 -2.25 8.41 37.85 -3.47 8.23 38.74 -2.86 8.32 2 0 1000.00 -999 ? >ALA^B 157 39.99 -0.35 11.68 40.96 0.83 11.60 40.47 0.24 11.64 2 0 1000.00 -999 ? >ALA^B 158 37.72 0.82 14.46 37.99 0.76 15.97 37.85 0.79 15.22 2 0 1000.00 -999 ? >ALA.B 159 35.84 4.02 13.73 34.36 4.18 13.67 35.10 4.10 13.70 2 0 1000.00 -999 ? >ASP~B 160 39.09 7.15 15.04 39.60 7.64 13.04 39.35 7.39 14.04 2 0 1000.00 -999 ? >GLN~B 161 38.81 11.48 16.10 40.08 12.88 15.11 39.45 12.18 15.60 2 0 1000.00 -999 ? >GLY~B 162 33.31 11.66 14.44 33.71 10.99 14.30 33.51 11.32 14.37 1 0 1000.00 -999 ? >LEU~B 163 34.39 7.77 11.67 34.93 8.21 9.60 34.66 7.99 10.63 3 0 1000.00 -999 ? >VAL~B 164 31.87 6.60 15.43 32.90 7.24 17.30 32.39 6.92 16.37 3 0 1000.00 -999 ? >ASP~B 165 28.35 9.92 14.76 28.97 10.85 16.56 28.66 10.39 15.66 2 0 1000.00 -999 ? >ILE~B 166 29.09 7.04 10.15 29.29 7.69 8.86 29.19 7.36 9.50 3 0 1000.00 -999 ? >HIS.B 167 29.68 1.12 10.40 29.83 -0.96 10.16 29.75 0.08 10.28 3 0 1000.00 -999 ? >ASP.B 168 31.29 -0.10 15.10 29.78 0.41 16.47 30.53 0.15 15.79 2 0 1000.00 -999 ? >ARG^B 169 34.90 -2.51 12.86 37.89 -3.10 13.26 36.39 -2.81 13.06 2 0 1000.00 -999 ? >ARG^B 170 38.48 4.62 10.50 40.76 6.27 9.24 39.62 5.45 9.87 2 0 1000.00 -999 ? >PRO^B 171 37.22 2.08 4.49 38.15 1.49 6.43 37.68 1.78 5.46 3 0 1000.00 -999 ? >LEU.B 172 43.34 0.36 7.44 45.38 0.68 8.24 44.36 0.52 7.84 3 0 1000.00 -999 ? >VAL^B 173 43.42 4.47 4.96 42.08 5.94 4.08 42.75 5.21 4.52 3 0 1000.00 -999 ? >LEU^B 174 48.09 4.22 4.21 48.59 2.41 5.33 48.34 3.32 4.77 3 0 1000.00 -999 ? >SER~B 175 48.92 8.60 3.96 50.99 8.45 5.18 49.96 8.52 4.57 2 0 1000.00 -999 ? >PRO~B 176 49.79 10.86 0.24 50.29 8.87 1.14 50.04 9.87 0.69 3 0 1000.00 -999 ? >GLU~B 177 55.93 8.65 3.87 56.53 9.82 5.51 56.23 9.23 4.69 2 0 1000.00 -999 ? >ALA~B 178 52.71 5.21 4.37 51.74 5.30 5.53 52.22 5.26 4.95 2 0 1000.00 -999 ? >ALA~B 179 50.91 3.70 1.38 49.86 4.39 0.50 50.38 4.04 0.94 2 0 1000.00 -999 ? >ARG~B 180 55.50 3.97 -3.34 56.97 1.34 -3.97 56.23 2.65 -3.65 2 0 1000.00 -999 ? >GLU~B 181 57.22 3.94 3.65 59.05 3.41 2.71 58.14 3.68 3.18 2 0 1000.00 -999 ? >TRP~B 182 50.06 -1.55 1.87 49.33 -3.25 5.33 49.69 -2.40 3.60 3 0 1000.00 -999 ? >MET?B 183 53.64 -1.79 -0.61 51.24 0.00 -3.63 52.44 -0.90 -2.12 2 0 1000.00 -999 ? >ARG~B 184 59.50 0.88 0.29 59.58 3.13 -1.83 59.54 2.01 -0.77 2 0 1000.00 -999 ? >GLN.B 185 57.91 -6.55 -3.26 56.10 -7.45 -2.67 57.00 -7.00 -2.96 2 0 1000.00 -999 ? >ILE.B 187 58.71 -3.43 4.74 57.86 -2.47 4.57 58.28 -2.95 4.66 3 0 1000.00 -999 ? >SER~B 188 58.40 -7.43 7.06 59.25 -6.69 9.23 58.83 -7.06 8.15 2 0 1000.00 -999 ? >GLY~B 189 54.98 -8.10 8.64 55.65 -7.69 8.92 55.31 -7.89 8.78 1 0 1000.00 -999 ? >LYS~B 190 56.18 -6.43 11.87 57.46 -5.00 16.91 56.82 -5.72 14.39 2 0 1000.00 -999 ? >GLU~B 191 59.85 -3.42 9.50 61.37 -3.53 8.06 60.61 -3.48 8.78 2 0 1000.00 -999 ? >ALA~B 192 54.02 -3.34 8.11 53.47 -4.43 7.19 53.75 -3.88 7.65 2 0 1000.00 -999 ? >SER~B 193 52.23 -3.39 11.49 51.76 -5.71 12.07 51.99 -4.55 11.78 2 0 1000.00 -999 ? >GLU~B 194 56.20 1.06 13.37 56.23 2.78 12.12 56.21 1.92 12.74 2 0 1000.00 -999 ? >ILE~B 195 53.75 0.96 7.85 54.45 1.02 6.66 54.10 0.99 7.25 3 0 1000.00 -999 ? >ALA~B 196 49.62 0.57 9.60 49.05 -0.79 9.69 49.34 -0.11 9.65 2 0 1000.00 -999 ? >ALA~B 197 49.54 2.13 13.08 50.28 1.60 14.28 49.91 1.86 13.68 2 0 1000.00 -999 ? >SER~B 198 51.55 5.28 12.44 53.64 4.70 11.36 52.59 4.99 11.90 2 0 1000.00 -999 ? >GLY~B 199 50.35 5.89 8.85 49.79 5.64 9.35 50.07 5.76 9.10 1 0 1000.00 -999 ? >CYH~B 200 46.61 5.58 9.37 44.14 4.74 10.29 45.38 5.16 9.83 2 0 1000.00 -999 ? >VAL.B 201 44.78 8.73 8.24 44.56 9.68 6.30 44.67 9.20 7.27 3 0 1000.00 -999 ? >PRO~B 202 44.37 11.54 11.62 43.22 9.81 10.75 43.79 10.67 11.18 3 0 1000.00 -999 ? >ALA~B 203 39.01 10.85 11.05 37.89 10.41 12.03 38.45 10.63 11.54 2 0 1000.00 -999 ? >ASN~B 204 40.61 15.30 12.52 42.64 14.64 12.61 41.62 14.97 12.56 2 0 1000.00 -999 ? >GLN.B 205 43.74 14.39 8.07 45.50 13.54 7.19 44.62 13.97 7.63 2 0 1000.00 -999 ? >PHE^B 206 38.42 10.81 6.42 40.34 8.77 6.10 39.38 9.79 6.26 3 0 1000.00 -999 ? >SER^B 207 34.64 15.01 5.55 35.55 17.21 5.07 35.09 16.11 5.31 2 0 1000.00 -999 ? >TRP^B 208 30.03 12.45 8.00 33.44 12.48 10.00 31.74 12.47 9.00 3 0 1000.00 -999 ? >HIS^B 209 28.28 14.54 1.36 29.21 14.16 -0.48 28.74 14.35 0.44 3 0 1000.00 -999 ? >PRO^B 210 23.47 13.82 4.23 25.04 12.37 3.50 24.25 13.09 3.87 3 0 1000.00 -999 ? >VAL.B 211 24.02 10.60 -0.27 25.95 9.55 -0.62 24.98 10.08 -0.45 3 0 1000.00 -999 ? >SER~B 212 21.04 9.18 -2.17 21.62 8.65 -4.48 21.33 8.91 -3.33 2 0 1000.00 -999 ? >ALA~B 214 20.22 4.59 -4.71 20.10 5.49 -5.93 20.16 5.04 -5.32 2 0 1000.00 -999 ? >VAL~B 215 23.84 3.57 -3.93 25.45 4.09 -2.50 24.64 3.83 -3.21 3 0 1000.00 -999 ? >GLY~B 216 22.35 0.53 -2.14 22.45 0.70 -2.93 22.40 0.61 -2.53 1 0 1000.00 -999 ? >ASN~B 217 20.20 -0.46 -6.34 19.79 -1.50 -8.16 19.99 -0.98 -7.25 2 0 1000.00 -999 ? >VAL.B 218 24.72 -2.07 -7.24 25.33 -4.03 -6.44 25.03 -3.05 -6.84 3 0 1000.00 -999 ? >LYS.B 219 23.14 -1.67 -10.69 19.07 -6.07 -12.62 21.11 -3.87 -11.66 2 0 1000.00 -999 ? >ASN.B 220 22.52 2.79 -8.90 20.40 2.65 -9.02 21.46 2.72 -8.96 2 0 1000.00 -999 ? >GLN.B 221 27.32 0.93 -11.66 28.64 0.58 -9.99 27.98 0.75 -10.83 2 0 1000.00 -999 ? >GLY~B 222 25.98 7.08 -11.81 26.36 6.81 -11.17 26.17 6.95 -11.49 1 0 1000.00 -999 ? >ALA~B 223 28.18 10.01 -10.78 28.72 11.06 -11.76 28.45 10.54 -11.27 2 0 1000.00 -999 ? >GLU~B 224 22.95 10.30 -9.25 23.38 8.97 -10.84 23.16 9.64 -10.05 2 0 1000.00 -999 ? >LEU~B 225 26.15 7.15 -6.47 24.73 5.64 -7.23 25.44 6.40 -6.85 3 0 1000.00 -999 ? >ILE~B 226 30.11 10.45 -4.91 31.20 10.23 -5.78 30.66 10.34 -5.34 3 0 1000.00 -999 ? >GLN~B 227 26.89 14.41 -6.96 28.75 15.48 -6.93 27.82 14.95 -6.94 2 0 1000.00 -999 ? >PRO.B 228 26.39 17.42 -1.89 25.64 15.30 -1.86 26.02 16.36 -1.87 3 0 1000.00 -999 ? >VAL.B 229 21.47 15.21 -0.54 21.05 13.04 -0.75 21.26 14.13 -0.65 3 0 1000.00 -999 ?