REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-SEP-06 2IG8 COMPND HYPOTHETICAL PROTEIN PA3499; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; SOURCE 3 ORGANISM_TAXID: 208964; SOURCE 4 STRAIN: PAO1; SOURCE 5 GENE: PA3499; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PDM68 AUTHOR R.ZHANG,X.XU,J.GU,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) >MET.A 1 16.17 -19.72 10.70 12.69 -18.94 11.12 14.43 -19.33 10.91 2 0 1000.00 -999 ? >THR.A 2 16.24 -16.05 11.64 18.06 -14.97 11.14 17.15 -15.51 11.39 2 0 1000.00 -999 ? >ALA.A 3 13.76 -13.72 13.35 13.64 -13.59 14.88 13.70 -13.65 14.11 2 0 1000.00 -999 ? >VAL^A 4 12.78 -10.39 11.84 12.11 -9.86 9.80 12.44 -10.12 10.82 3 0 1000.00 -999 ? >ARG^A 5 10.02 -7.25 17.40 12.44 -7.06 19.27 11.23 -7.15 18.34 2 0 1000.00 -999 ? >ARG^A 6 8.50 -2.41 10.27 6.38 -1.00 8.54 7.44 -1.71 9.41 2 0 1000.00 -999 ? >ILE.A 7 12.52 -1.49 14.70 12.68 -1.92 16.05 12.60 -1.71 15.38 3 0 1000.00 -999 ? >ARG.A 8 5.55 -0.10 14.06 4.00 -0.54 11.45 4.78 -0.32 12.76 2 0 1000.00 -999 ? >ALA.A 9 10.21 4.70 16.56 11.39 5.53 16.08 10.80 5.11 16.32 2 0 1000.00 -999 ? >ALA.A 10 7.50 6.76 18.34 7.46 6.95 19.86 7.48 6.85 19.10 2 0 1000.00 -999 ? >ALA.A 11 9.05 10.00 17.07 10.45 10.48 17.49 9.75 10.24 17.28 2 0 1000.00 -999 ? >LEU.A 12 10.47 8.13 13.06 12.22 9.27 12.86 11.34 8.70 12.96 3 0 1000.00 -999 ? >PRO.A 13 4.78 9.32 13.02 6.28 7.63 12.74 5.53 8.47 12.88 3 0 1000.00 -999 ? >ASP.A 14 6.24 3.34 9.46 8.28 2.86 9.82 7.26 3.10 9.64 2 0 1000.00 -999 ? >LEU.A 15 3.45 7.19 6.21 3.30 9.24 7.02 3.37 8.22 6.61 3 0 1000.00 -999 ? >PRO.A 16 -0.72 4.74 6.30 1.28 3.79 6.00 0.28 4.27 6.15 3 0 1000.00 -999 ? >ASP.A 17 1.01 5.48 1.46 2.01 7.18 2.17 1.51 6.33 1.81 2 0 1000.00 -999 ? >ALA.A 18 5.39 3.90 2.13 6.24 4.22 3.35 5.81 4.06 2.74 2 0 1000.00 -999 ? >SER.A 19 7.01 0.99 0.20 7.63 2.04 -1.97 7.32 1.51 -0.89 2 0 1000.00 -999 ? >TRP.A 20 10.88 3.78 4.03 8.94 5.87 1.35 9.91 4.82 2.69 3 0 1000.00 -999 ? >SER.A 21 10.23 0.12 6.46 9.23 -2.10 6.70 9.73 -0.99 6.58 2 0 1000.00 -999 ? >ASN.A 22 11.62 3.62 9.59 10.63 5.24 8.67 11.13 4.43 9.13 2 0 1000.00 -999 ? >ALA^A 23 13.78 -0.20 10.51 14.28 0.37 11.86 14.03 0.09 11.18 2 0 1000.00 -999 ? >LEU^A 24 13.73 -4.70 9.29 12.14 -4.66 7.83 12.93 -4.68 8.56 3 0 1000.00 -999 ? >LEU^A 25 15.31 -6.04 14.77 16.70 -6.33 16.43 16.00 -6.19 15.60 3 0 1000.00 -999 ? >VAL^A 26 17.05 -9.01 11.38 17.05 -8.96 9.16 17.05 -8.98 10.27 3 0 1000.00 -999 ? >GLY.A 27 18.62 -11.25 13.96 18.42 -10.41 13.94 18.52 -10.83 13.95 1 0 1000.00 -999 ? >GLU.A 28 22.28 -8.93 18.00 20.87 -9.88 19.35 21.57 -9.41 18.68 2 0 1000.00 -999 ? >GLU^A 29 21.99 -5.82 10.31 24.10 -5.39 10.26 23.05 -5.61 10.28 2 0 1000.00 -999 ? >LEU^A 30 19.21 -2.24 13.90 17.38 -1.11 14.39 18.30 -1.68 14.14 3 0 1000.00 -999 ? >VAL^A 31 18.52 -2.64 9.14 18.43 -4.17 7.57 18.48 -3.40 8.35 3 0 1000.00 -999 ? >MET^A 32 17.54 1.01 8.58 19.08 2.64 12.19 18.31 1.82 10.38 2 0 1000.00 -999 ? >SER.A 33 16.16 3.07 5.70 13.97 2.34 5.00 15.07 2.70 5.35 2 0 1000.00 -999 ? >GLY.A 34 18.06 6.20 4.75 17.29 6.09 5.11 17.67 6.15 4.93 1 0 1000.00 -999 ? >MET.A 35 17.22 9.03 7.13 15.05 7.78 9.40 16.13 8.40 8.27 2 0 1000.00 -999 ? >THR.A 36 16.74 12.71 6.22 15.48 12.49 4.43 16.11 12.60 5.33 2 0 1000.00 -999 ? >ALA.A 37 15.85 15.97 8.03 16.84 17.11 8.24 16.35 16.54 8.14 2 0 1000.00 -999 ? >HIS.A 38 10.83 15.98 4.32 8.96 16.50 3.52 9.90 16.24 3.92 3 0 1000.00 -999 ? >PRO~A 39 8.17 16.39 8.36 10.15 16.83 7.39 9.16 16.61 7.88 3 0 1000.00 -999 ? >ALA~A 40 11.76 19.75 9.68 12.80 19.33 10.71 12.28 19.54 10.19 2 0 1000.00 -999 ? >THR~A 41 13.69 21.06 6.63 14.88 19.45 5.77 14.28 20.25 6.20 2 0 1000.00 -999 ? >ARG~A 42 7.56 20.92 2.59 8.36 19.12 0.20 7.96 20.02 1.39 2 0 1000.00 -999 ? >GLN~A 43 8.38 24.41 10.14 8.18 23.65 12.10 8.28 24.03 11.12 2 0 1000.00 -999 ? >ALA~A 44 12.45 25.67 8.29 13.77 24.97 8.58 13.11 25.32 8.43 2 0 1000.00 -999 ? >ALA~A 45 12.76 26.68 4.62 12.89 25.72 3.43 12.83 26.20 4.02 2 0 1000.00 -999 ? >GLU~A 46 7.63 26.14 3.62 5.88 25.00 3.83 6.76 25.57 3.73 2 0 1000.00 -999 ? >ARG~A 47 7.63 29.33 10.66 8.14 29.74 13.69 7.88 29.54 12.17 2 0 1000.00 -999 ? >GLY.A 48 12.80 31.64 6.05 12.90 31.07 6.61 12.85 31.35 6.33 1 0 1000.00 -999 ? >ALA.A 49 15.54 29.85 8.00 15.33 30.13 9.48 15.44 29.99 8.74 2 0 1000.00 -999 ? >ALA.A 50 16.58 26.68 6.17 16.89 26.58 4.69 16.73 26.63 5.43 2 0 1000.00 -999 ? >LEU.A 51 18.07 22.72 8.50 16.44 22.70 10.02 17.26 22.71 9.26 3 0 1000.00 -999 ? >ASP~A 52 23.43 25.02 7.61 23.96 24.80 9.66 23.69 24.91 8.63 2 0 1000.00 -999 ? >ALA~A 53 24.16 20.77 6.58 25.29 20.51 5.58 24.72 20.64 6.08 2 0 1000.00 -999 ? >HIS~A 54 26.35 21.50 12.37 26.86 20.93 14.32 26.60 21.21 13.34 3 0 1000.00 -999 ? >ALA~A 55 21.79 21.09 11.55 20.93 22.33 11.41 21.36 21.71 11.48 2 0 1000.00 -999 ? >GLN~A 56 19.49 19.81 7.00 19.07 19.67 4.90 19.28 19.74 5.95 2 0 1000.00 -999 ? >ALA~A 57 23.14 16.02 9.92 24.66 16.20 9.77 23.90 16.11 9.84 2 0 1000.00 -999 ? >LEU~A 58 22.41 17.50 14.51 24.17 17.97 15.69 23.29 17.73 15.10 3 0 1000.00 -999 ? >VAL~A 59 18.54 15.83 12.83 16.86 17.04 12.07 17.70 16.43 12.45 3 0 1000.00 -999 ? >VAL~A 60 19.42 12.80 10.72 20.15 12.45 8.68 19.78 12.62 9.70 3 0 1000.00 -999 ? >LEU~A 61 23.03 11.66 13.78 24.92 11.44 12.69 23.98 11.55 13.24 3 0 1000.00 -999 ? >GLY~A 62 18.89 11.88 15.93 18.87 11.43 15.23 18.88 11.66 15.58 1 0 1000.00 -999 ? >LYS~A 63 16.48 9.81 13.84 13.11 13.23 9.54 14.79 11.52 11.69 2 0 1000.00 -999 ? >VAL~A 64 19.04 6.98 13.57 20.88 6.49 12.44 19.96 6.74 13.01 3 0 1000.00 -999 ? >LYS~A 65 19.34 7.13 17.40 18.86 9.64 22.02 19.10 8.38 19.71 2 0 1000.00 -999 ? >ALA~A 66 15.53 7.01 17.77 14.59 7.98 17.16 15.06 7.49 17.46 2 0 1000.00 -999 ? >LEU~A 67 15.73 3.67 14.18 14.44 4.31 12.51 15.09 3.99 13.34 3 0 1000.00 -999 ? >LEU~A 68 19.62 2.80 17.77 21.42 2.50 16.56 20.52 2.65 17.17 3 0 1000.00 -999 ? >GLU~A 69 17.67 5.08 21.69 17.43 7.02 22.48 17.55 6.05 22.09 2 0 1000.00 -999 ? >ALA~A 70 13.23 1.69 19.66 12.49 2.19 18.41 12.86 1.94 19.03 2 0 1000.00 -999 ? >ALA~A 71 15.09 -1.62 19.09 16.05 -1.82 17.90 15.57 -1.72 18.49 2 0 1000.00 -999 ? >GLY.A 72 16.53 -1.51 22.63 16.95 -1.25 21.95 16.74 -1.38 22.29 1 0 1000.00 -999 ? >GLY.A 73 19.88 -0.38 21.24 19.40 0.19 21.55 19.64 -0.09 21.40 1 0 1000.00 -999 ? >HIS~A 74 23.93 1.55 22.91 25.31 -0.02 23.06 24.62 0.77 22.99 3 0 1000.00 -999 ? >VAL~A 75 24.56 4.75 19.36 24.73 6.95 19.26 24.64 5.85 19.31 3 0 1000.00 -999 ? >GLY~A 76 27.45 2.36 20.10 26.81 2.22 19.70 27.13 2.29 19.90 1 0 1000.00 -999 ? >ASN.A 77 24.26 -0.68 18.01 23.59 -1.38 19.91 23.93 -1.03 18.96 2 0 1000.00 -999 ? >LEU^A 78 26.36 3.22 14.63 24.56 4.41 14.25 25.46 3.82 14.44 3 0 1000.00 -999 ? >TYR^A 79 28.65 -1.96 11.74 26.90 -3.35 10.06 27.78 -2.65 10.90 3 0 1000.00 -999 ? >LYS^A 80 28.94 2.07 9.30 31.06 -0.50 4.14 30.00 0.79 6.72 2 0 1000.00 -999 ? >LEU^A 81 27.68 6.61 8.84 26.81 6.96 10.79 27.24 6.79 9.81 3 0 1000.00 -999 ? >ASN^A 82 26.25 4.87 3.34 27.51 3.22 2.89 26.88 4.05 3.11 2 0 1000.00 -999 ? >VAL^A 83 26.49 9.65 3.80 27.23 11.03 5.36 26.86 10.34 4.58 3 0 1000.00 -999 ? >TYR^A 84 24.00 9.02 -0.06 24.35 6.25 -0.10 24.18 7.63 -0.08 3 0 1000.00 -999 ? >VAL^A 85 25.39 14.97 0.31 27.41 15.26 1.14 26.40 15.11 0.72 3 0 1000.00 -999 ? >THR.A 86 24.22 17.38 -2.38 22.23 18.05 -1.77 23.22 17.72 -2.07 2 0 1000.00 -999 ? >ARG~A 87 25.67 23.14 -1.52 24.82 24.02 1.36 25.25 23.58 -0.08 2 0 1000.00 -999 ? >ILE~A 88 31.64 17.53 -2.23 32.12 16.89 -2.11 31.88 17.21 -2.17 3 0 1000.00 -999 ? >ALA~A 89 31.75 21.33 0.54 31.50 22.74 0.02 31.62 22.03 0.28 2 0 1000.00 -999 ? >ASP~A 90 27.92 20.02 3.23 26.85 21.77 2.70 27.39 20.90 2.96 2 0 1000.00 -999 ? >LYS~A 91 31.63 17.27 4.33 37.32 16.85 2.48 34.48 17.06 3.40 2 0 1000.00 -999 ? >ASP~A 92 34.17 20.42 7.05 35.94 20.01 5.92 35.05 20.22 6.49 2 0 1000.00 -999 ? >ALA~A 93 29.85 20.34 8.61 28.75 21.04 7.78 29.30 20.69 8.20 2 0 1000.00 -999 ? >ILE~A 94 28.74 15.70 7.36 27.50 15.60 7.30 28.12 15.65 7.33 3 0 1000.00 -999 ? >GLY~A 95 32.09 15.82 10.38 31.49 16.35 10.59 31.79 16.09 10.48 1 0 1000.00 -999 ? >ARG~A 96 31.91 22.26 12.10 31.73 23.29 9.15 31.82 22.78 10.62 2 0 1000.00 -999 ? >ALA~A 97 27.96 16.87 13.53 26.91 16.73 12.41 27.44 16.80 12.97 2 0 1000.00 -999 ? >ARG~A 98 30.19 10.98 11.01 31.41 10.85 8.19 30.80 10.91 9.60 2 0 1000.00 -999 ? >GLN~A 99 34.14 15.45 15.25 35.27 17.12 14.59 34.70 16.28 14.92 2 0 1000.00 -999 ? >GLU~A 100 28.94 18.44 18.08 27.78 20.00 17.29 28.36 19.22 17.68 2 0 1000.00 -999 ? >PHE~A 101 25.31 11.47 16.83 23.37 9.47 16.89 24.34 10.47 16.86 3 0 1000.00 -999 ? >PHE~A 102 29.57 9.11 16.96 28.05 7.75 15.06 28.81 8.43 16.01 3 0 1000.00 -999 ? >ALA.A 103 31.07 12.77 21.84 30.37 13.99 22.45 30.72 13.38 22.15 2 0 1000.00 -999 ? >GLY.A 104 30.75 9.65 24.03 31.33 10.18 23.55 31.04 9.91 23.79 1 0 1000.00 -999 ? >GLN.A 105 31.64 5.75 20.79 30.13 5.19 19.41 30.89 5.47 20.10 2 0 1000.00 -999 ? >GLY.A 106 36.16 6.44 21.60 35.55 6.37 21.07 35.86 6.41 21.34 1 0 1000.00 -999 ? >THR.A 107 35.79 4.93 18.20 36.58 2.96 18.04 36.18 3.94 18.12 2 0 1000.00 -999 ? >PHE.A 108 34.24 8.64 15.04 34.36 11.11 16.38 34.30 9.88 15.71 3 0 1000.00 -999 ? >PRO.A 109 29.85 5.01 13.63 31.99 4.44 13.30 30.92 4.72 13.47 3 0 1000.00 -999 ? >ALA^A 110 33.25 3.39 9.31 33.41 2.05 8.58 33.33 2.72 8.94 2 0 1000.00 -999 ? >SER^A 111 32.05 5.81 6.67 31.32 8.07 6.53 31.68 6.94 6.60 2 0 1000.00 -999 ? >THR^A 112 31.61 6.55 3.00 31.79 5.13 1.37 31.70 5.84 2.18 2 0 1000.00 -999 ? >LEU^A 113 31.03 11.20 2.86 30.62 13.36 3.00 30.83 12.28 2.93 3 0 1000.00 -999 ? >VAL^A 114 29.81 11.01 -1.67 29.44 8.98 -2.46 29.62 9.99 -2.06 3 0 1000.00 -999 ? >GLU^A 115 27.85 16.25 -4.39 28.84 17.81 -5.41 28.35 17.03 -4.90 2 0 1000.00 -999 ? >VAL.A 116 24.89 12.84 -5.20 23.73 11.70 -3.73 24.31 12.27 -4.46 3 0 1000.00 -999 ? >SER.A 117 23.00 14.74 -7.86 22.29 15.04 -10.11 22.65 14.89 -8.99 2 0 1000.00 -999 ? >GLY.A 118 19.76 14.82 -5.88 20.17 14.18 -5.61 19.97 14.50 -5.75 1 0 1000.00 -999 ? >LEU.A 119 18.36 14.35 -1.40 20.23 13.72 -0.45 19.29 14.04 -0.93 3 0 1000.00 -999 ? >VAL.A 120 14.14 13.00 -2.39 13.94 11.23 -1.10 14.04 12.11 -1.75 3 0 1000.00 -999 ? >PHE.A 121 11.37 15.73 0.26 9.41 13.80 0.73 10.39 14.77 0.50 3 0 1000.00 -999 ? >PRO.A 122 12.50 20.47 -3.09 14.27 19.28 -2.44 13.38 19.88 -2.76 3 0 1000.00 -999 ? >GLU.A 123 13.22 22.37 1.44 11.57 21.27 0.67 12.39 21.82 1.06 2 0 1000.00 -999 ? >LEU.A 124 17.29 16.84 1.51 15.79 15.79 2.63 16.54 16.31 2.07 3 0 1000.00 -999 ? >LEU.A 125 22.08 19.65 2.86 22.31 21.69 2.29 22.19 20.67 2.58 3 0 1000.00 -999 ? >VAL^A 126 22.17 15.10 3.38 23.14 14.93 5.39 22.66 15.01 4.39 3 0 1000.00 -999 ? >GLU^A 127 19.32 9.69 2.91 17.58 9.22 1.77 18.45 9.45 2.34 2 0 1000.00 -999 ? >ILE^A 128 23.09 9.23 7.28 24.16 9.64 8.17 23.62 9.43 7.73 3 0 1000.00 -999 ? >ASP^A 129 22.36 4.45 4.04 21.74 2.41 3.96 22.05 3.43 4.00 2 0 1000.00 -999 ? >ALA^A 130 23.16 3.73 8.80 22.63 4.50 10.01 22.90 4.11 9.40 2 0 1000.00 -999 ? >TRP^A 131 25.52 0.90 6.55 23.83 -2.11 4.63 24.68 -0.60 5.59 3 0 1000.00 -999 ? >ALA^A 132 24.11 -1.17 13.19 23.24 -0.22 13.98 23.67 -0.69 13.59 2 0 1000.00 -999 ? >ARG^A 133 26.85 -6.60 13.74 28.05 -9.39 13.76 27.45 -8.00 13.75 2 0 1000.00 -999 ? >LEU.A 134 21.28 -5.21 19.04 19.61 -3.82 18.77 20.44 -4.51 18.90 3 0 1000.00 -999 ? >ASP.A 135 25.56 -8.64 19.36 26.12 -8.77 17.35 25.84 -8.71 18.35 2 0 1000.00 -999 ? >ILE.A 136 29.07 -4.48 18.23 29.03 -4.43 16.74 29.05 -4.45 17.48 3 0 1000.00 -999 ? >ASP~A 137 29.17 -1.54 22.84 29.07 0.40 23.69 29.12 -0.57 23.27 2 0 1000.00 -999 ? >LEU~A 138 31.90 1.60 18.50 31.51 0.93 16.47 31.71 1.27 17.49 3 0 1000.00 -999 ? >ALA~A 139 32.58 2.20 23.14 31.50 2.59 24.11 32.04 2.39 23.62 2 0 1000.00 -999 ? >ASN~A 140 33.42 -2.35 24.36 32.21 -1.88 26.01 32.82 -2.12 25.18 2 0 1000.00 -999 ? >CYH~A 141 36.49 -1.21 20.87 37.36 -0.76 18.34 36.93 -0.98 19.60 2 0 1000.00 -999 ? >ASP.A 142 40.18 -4.38 21.21 38.82 -5.67 22.19 39.50 -5.02 21.70 2 0 1000.00 -999 ? >MET.B 1 34.24 -21.08 8.15 35.05 -23.48 5.05 34.65 -22.28 6.60 2 0 1000.00 -999 ? >THR.B 2 31.43 -19.91 5.91 30.25 -18.20 6.44 30.84 -19.05 6.17 2 0 1000.00 -999 ? >ALA.B 3 30.68 -21.57 2.59 29.77 -22.78 2.41 30.23 -22.18 2.50 2 0 1000.00 -999 ? >VAL^B 4 30.35 -19.40 -0.49 31.82 -17.97 -1.33 31.09 -18.69 -0.91 3 0 1000.00 -999 ? >ARG^B 5 25.74 -23.18 -3.91 22.83 -23.04 -2.80 24.29 -23.11 -3.36 2 0 1000.00 -999 ? >ARG^B 6 28.67 -16.96 -9.42 30.69 -16.10 -11.56 29.68 -16.53 -10.49 2 0 1000.00 -999 ? >ILE.B 7 23.59 -17.82 -6.91 22.82 -18.92 -6.37 23.21 -18.37 -6.64 3 0 1000.00 -999 ? >ARG.B 8 26.90 -20.47 -12.81 29.61 -19.02 -13.08 28.25 -19.75 -12.95 2 0 1000.00 -999 ? >ALA.B 9 20.43 -17.66 -12.81 19.69 -16.41 -12.34 20.06 -17.03 -12.57 2 0 1000.00 -999 ? >ALA.B 10 19.96 -18.72 -16.49 18.99 -19.76 -16.98 19.48 -19.24 -16.73 2 0 1000.00 -999 ? >ALA.B 11 18.32 -15.41 -17.48 16.97 -14.98 -17.00 17.65 -15.19 -17.24 2 0 1000.00 -999 ? >LEU.B 12 21.00 -13.04 -14.55 19.56 -11.51 -14.23 20.28 -12.27 -14.39 3 0 1000.00 -999 ? >PRO.B 13 23.72 -14.29 -19.51 23.78 -14.76 -17.29 23.75 -14.53 -18.40 3 0 1000.00 -999 ? >ASP.B 14 28.33 -14.68 -14.53 27.31 -14.10 -12.77 27.82 -14.39 -13.65 2 0 1000.00 -999 ? >LEU.B 15 29.14 -12.23 -19.84 27.19 -12.41 -20.86 28.17 -12.32 -20.35 3 0 1000.00 -999 ? >PRO.B 16 32.64 -16.25 -19.83 32.62 -14.27 -18.78 32.63 -15.26 -19.31 3 0 1000.00 -999 ? >ASP.B 17 34.04 -9.97 -20.63 31.97 -9.78 -20.71 33.00 -9.88 -20.67 2 0 1000.00 -999 ? >ALA.B 18 32.78 -9.38 -16.28 31.38 -9.78 -15.84 32.08 -9.58 -16.06 2 0 1000.00 -999 ? >SER.B 19 34.84 -8.52 -13.16 35.33 -6.15 -13.42 35.09 -7.33 -13.29 2 0 1000.00 -999 ? >TRP.B 20 28.77 -8.36 -11.93 30.19 -6.37 -15.01 29.48 -7.36 -13.47 3 0 1000.00 -999 ? >SER.B 21 29.55 -12.02 -9.86 31.13 -13.65 -8.96 30.34 -12.83 -9.41 2 0 1000.00 -999 ? >ASN.B 22 24.87 -11.98 -11.34 25.12 -10.94 -13.19 25.00 -11.46 -12.27 2 0 1000.00 -999 ? >ALA^B 23 25.08 -13.37 -7.07 23.64 -13.88 -7.12 24.36 -13.63 -7.09 2 0 1000.00 -999 ? >LEU^B 24 28.42 -14.45 -3.90 30.23 -14.19 -5.04 29.32 -14.32 -4.47 3 0 1000.00 -999 ? >LEU^B 25 24.60 -18.36 -1.77 22.98 -19.09 -0.52 23.79 -18.72 -1.14 3 0 1000.00 -999 ? >VAL^B 26 27.55 -16.48 1.55 29.00 -14.85 1.56 28.27 -15.67 1.56 3 0 1000.00 -999 ? >GLY.B 27 26.12 -18.66 4.29 25.81 -18.36 3.55 25.96 -18.51 3.92 1 0 1000.00 -999 ? >GLU.B 28 21.53 -18.92 6.38 20.50 -20.44 5.31 21.02 -19.68 5.85 2 0 1000.00 -999 ? >GLU^B 29 24.19 -11.87 2.88 22.84 -10.70 4.01 23.52 -11.28 3.44 2 0 1000.00 -999 ? >LEU^B 30 21.19 -14.03 -1.65 21.12 -14.91 -3.64 21.15 -14.47 -2.64 3 0 1000.00 -999 ? >VAL^B 31 24.96 -11.10 -1.99 26.92 -10.66 -1.10 25.94 -10.88 -1.55 3 0 1000.00 -999 ? >MET^B 32 23.93 -9.57 -5.28 19.77 -10.55 -5.16 21.85 -10.06 -5.22 2 0 1000.00 -999 ? >SER.B 33 25.35 -7.14 -7.77 27.33 -8.01 -8.91 26.34 -7.57 -8.34 2 0 1000.00 -999 ? >GLY.B 34 23.41 -4.05 -8.69 23.60 -4.75 -9.14 23.50 -4.40 -8.91 1 0 1000.00 -999 ? >MET^B 35 20.66 -4.92 -11.14 20.85 -8.32 -11.69 20.76 -6.62 -11.41 2 0 1000.00 -999 ? >THR^B 36 19.41 -2.87 -14.09 21.30 -2.28 -14.97 20.36 -2.57 -14.53 2 0 1000.00 -999 ? >ALA.B 37 16.82 -3.24 -16.85 15.55 -2.35 -16.92 16.18 -2.80 -16.88 2 0 1000.00 -999 ? >HIS.B 38 21.70 -3.12 -20.79 22.92 -3.54 -22.44 22.31 -3.33 -21.62 3 0 1000.00 -999 ? >PRO~B 39 19.85 -7.50 -22.42 19.49 -5.45 -21.53 19.67 -6.48 -21.97 3 0 1000.00 -999 ? >ALA~B 40 15.56 -4.99 -22.23 14.64 -5.42 -21.09 15.10 -5.21 -21.66 2 0 1000.00 -999 ? >THR~B 41 15.90 -1.17 -22.08 16.88 -0.59 -20.22 16.39 -0.88 -21.15 2 0 1000.00 -999 ? >ARG~B 42 21.58 -1.41 -26.75 23.91 -0.16 -25.14 22.74 -0.78 -25.95 2 0 1000.00 -999 ? >GLN~B 43 13.92 -5.29 -27.40 13.17 -7.13 -26.50 13.54 -6.21 -26.95 2 0 1000.00 -999 ? >ALA~B 44 12.71 -1.12 -25.94 12.30 -0.95 -24.45 12.50 -1.03 -25.20 2 0 1000.00 -999 ? >ALA~B 45 14.37 2.22 -26.84 15.65 2.81 -26.14 15.01 2.52 -26.49 2 0 1000.00 -999 ? >GLU~B 46 17.73 0.05 -30.25 19.08 -1.42 -30.92 18.40 -0.68 -30.59 2 0 1000.00 -999 ? >ARG~B 47 11.04 -3.13 -31.74 9.37 -5.23 -30.26 10.20 -4.18 -31.00 2 0 1000.00 -999 ? >GLY.B 48 10.56 3.43 -30.12 10.48 2.74 -29.65 10.52 3.09 -29.88 1 0 1000.00 -999 ? >ALA.B 49 9.05 2.14 -26.87 8.35 0.77 -27.13 8.70 1.45 -27.00 2 0 1000.00 -999 ? >ALA.B 50 11.60 3.18 -24.18 12.28 4.55 -24.10 11.94 3.87 -24.14 2 0 1000.00 -999 ? >LEU.B 51 11.40 0.59 -20.10 10.95 -1.46 -20.72 11.18 -0.43 -20.41 3 0 1000.00 -999 ? >ASP~B 52 8.41 5.06 -18.00 6.80 3.77 -17.35 7.61 4.42 -17.68 2 0 1000.00 -999 ? >ALA~B 53 11.01 4.30 -14.51 11.11 5.51 -13.57 11.06 4.91 -14.04 2 0 1000.00 -999 ? >HIS~B 54 5.69 1.60 -12.79 4.15 0.40 -12.02 4.92 1.00 -12.40 3 0 1000.00 -999 ? >ALA~B 55 8.60 -0.41 -16.01 8.30 -0.22 -17.53 8.45 -0.32 -16.77 2 0 1000.00 -999 ? >GLN~B 56 13.56 1.17 -17.18 15.24 2.39 -17.61 14.40 1.78 -17.40 2 0 1000.00 -999 ? >ALA~B 57 12.07 -0.85 -11.72 11.44 0.11 -10.73 11.75 -0.37 -11.23 2 0 1000.00 -999 ? >LEU~B 58 8.42 -3.86 -12.90 6.50 -3.63 -11.90 7.46 -3.75 -12.40 3 0 1000.00 -999 ? >VAL~B 59 12.27 -5.48 -14.69 12.87 -5.29 -16.81 12.57 -5.39 -15.75 3 0 1000.00 -999 ? >VAL~B 60 15.02 -4.86 -12.12 16.32 -3.17 -11.49 15.67 -4.02 -11.81 3 0 1000.00 -999 ? >LEU~B 61 11.70 -5.76 -8.61 11.72 -4.21 -7.03 11.71 -4.99 -7.82 3 0 1000.00 -999 ? >GLY~B 62 12.20 -9.38 -11.59 12.90 -9.05 -11.33 12.55 -9.22 -11.46 1 0 1000.00 -999 ? >LYS~B 63 15.96 -9.88 -12.00 18.52 -6.99 -16.92 17.24 -8.44 -14.46 2 0 1000.00 -999 ? >VAL~B 64 16.45 -9.80 -8.21 16.54 -8.24 -6.69 16.50 -9.02 -7.45 3 0 1000.00 -999 ? >LYS~B 65 13.68 -12.41 -7.93 8.91 -15.18 -8.52 11.29 -13.79 -8.22 2 0 1000.00 -999 ? >ALA~B 66 15.39 -14.58 -10.56 15.75 -14.15 -12.02 15.57 -14.36 -11.28 2 0 1000.00 -999 ? >LEU~B 67 19.47 -13.27 -8.19 20.92 -12.34 -9.53 20.20 -12.80 -8.86 3 0 1000.00 -999 ? >LEU~B 68 15.53 -14.46 -4.71 15.62 -12.85 -3.24 15.57 -13.66 -3.97 3 0 1000.00 -999 ? >GLU~B 69 12.60 -17.51 -7.46 10.99 -17.30 -8.80 11.79 -17.41 -8.13 2 0 1000.00 -999 ? >ALA~B 70 18.23 -19.49 -8.40 19.21 -18.72 -9.29 18.72 -19.10 -8.85 2 0 1000.00 -999 ? >ALA~B 71 19.43 -19.71 -4.76 19.96 -18.47 -4.02 19.70 -19.09 -4.39 2 0 1000.00 -999 ? >GLY.B 72 16.19 -21.40 -3.58 16.32 -20.61 -3.49 16.26 -21.01 -3.53 1 0 1000.00 -999 ? >GLY.B 73 14.77 -18.22 -2.04 14.50 -18.42 -2.77 14.64 -18.32 -2.40 1 0 1000.00 -999 ? >HIS~B 74 10.52 -16.54 -0.55 10.48 -16.65 1.54 10.50 -16.60 0.49 3 0 1000.00 -999 ? >VAL~B 75 11.02 -12.13 -2.40 9.42 -11.63 -3.82 10.22 -11.88 -3.11 3 0 1000.00 -999 ? >GLY~B 76 10.30 -12.31 1.34 10.99 -12.41 0.95 10.64 -12.36 1.15 1 0 1000.00 -999 ? >ASN.B 77 14.90 -13.79 0.97 14.37 -15.85 1.14 14.64 -14.82 1.06 2 0 1000.00 -999 ? >LEU^B 78 14.11 -8.50 -0.42 14.66 -8.68 -2.51 14.39 -8.59 -1.47 3 0 1000.00 -999 ? >TYR^B 79 17.68 -7.65 4.82 20.45 -7.96 4.60 19.06 -7.81 4.71 3 0 1000.00 -999 ? >LYS^B 80 17.05 -3.80 2.02 21.11 -0.22 5.05 19.08 -2.01 3.53 2 0 1000.00 -999 ? >LEU^B 81 15.50 -2.17 -2.10 14.36 -3.89 -2.77 14.93 -3.03 -2.43 3 0 1000.00 -999 ? >ASN^B 82 20.62 0.81 -1.78 20.81 0.75 0.34 20.72 0.78 -0.72 2 0 1000.00 -999 ? >VAL^B 83 17.89 2.50 -5.28 15.76 2.29 -5.62 16.82 2.39 -5.45 3 0 1000.00 -999 ? >TYR^B 84 22.03 3.76 -6.84 23.40 2.70 -4.65 22.71 3.23 -5.75 3 0 1000.00 -999 ? >VAL^B 85 17.81 6.83 -10.02 16.01 7.37 -8.80 16.91 7.10 -9.41 3 0 1000.00 -999 ? >THR.B 86 18.92 9.23 -12.72 19.04 8.16 -14.58 18.98 8.70 -13.65 2 0 1000.00 -999 ? >ARG~B 87 14.54 11.66 -15.75 12.27 10.16 -17.18 13.41 10.91 -16.47 2 0 1000.00 -999 ? >ILE~B 88 15.23 13.14 -7.49 15.24 13.04 -6.69 15.23 13.09 -7.09 3 0 1000.00 -999 ? >ALA~B 89 11.25 12.88 -9.91 10.97 13.70 -11.17 11.11 13.29 -10.54 2 0 1000.00 -999 ? >ASP~B 90 11.95 8.37 -11.56 11.90 9.09 -13.57 11.93 8.73 -12.57 2 0 1000.00 -999 ? >LYS~B 91 10.94 8.23 -6.90 8.41 11.40 -3.38 9.68 9.81 -5.14 2 0 1000.00 -999 ? >ASP~B 92 6.13 8.76 -7.02 6.13 10.11 -5.39 6.13 9.44 -6.20 2 0 1000.00 -999 ? >ALA~B 93 7.42 5.43 -9.95 8.05 5.81 -11.24 7.74 5.62 -10.60 2 0 1000.00 -999 ? >ILE~B 94 11.27 3.61 -7.48 11.92 3.32 -8.16 11.59 3.46 -7.82 3 0 1000.00 -999 ? >GLY~B 95 7.24 3.32 -5.16 7.20 3.06 -5.94 7.22 3.19 -5.55 1 0 1000.00 -999 ? >ARG~B 96 2.61 4.25 -10.03 1.87 7.16 -9.31 2.24 5.70 -9.67 2 0 1000.00 -999 ? >ALA~B 97 6.82 -0.75 -8.74 8.19 -0.57 -9.35 7.50 -0.66 -9.04 2 0 1000.00 -999 ? >ARG~B 98 10.43 -0.45 -3.16 11.58 2.24 -2.18 11.01 0.89 -2.67 2 0 1000.00 -999 ? >GLN~B 99 3.00 0.50 -3.38 2.44 0.12 -1.36 2.72 0.31 -2.37 2 0 1000.00 -999 ? >GLU~B 100 2.06 -2.62 -8.90 2.13 -1.72 -10.83 2.09 -2.17 -9.87 2 0 1000.00 -999 ? >PHE~B 101 8.60 -6.99 -6.74 10.59 -8.94 -6.69 9.59 -7.96 -6.71 3 0 1000.00 -999 ? >PHE~B 102 7.58 -5.95 -2.02 10.38 -6.19 -2.13 8.98 -6.07 -2.08 3 0 1000.00 -999 ? >ALA.B 103 1.55 -7.11 -3.47 0.83 -7.33 -4.78 1.19 -7.22 -4.12 2 0 1000.00 -999 ? >GLY.B 104 1.70 -10.31 -1.38 2.04 -9.67 -1.11 1.87 -9.99 -1.24 1 0 1000.00 -999 ? >GLN.B 105 5.60 -8.41 1.34 7.55 -9.31 1.24 6.58 -8.86 1.29 2 0 1000.00 -999 ? >GLY.B 106 2.59 -5.81 4.11 3.33 -6.13 4.04 2.96 -5.97 4.08 1 0 1000.00 -999 ? >THR.B 107 6.15 -5.28 5.32 6.92 -5.84 7.27 6.53 -5.56 6.29 2 0 1000.00 -999 ? >PHE.B 108 7.04 -2.39 1.40 4.68 -2.30 -0.13 5.86 -2.34 0.64 3 0 1000.00 -999 ? >PRO.B 109 12.25 -5.14 0.82 11.70 -4.00 2.67 11.98 -4.57 1.75 3 0 1000.00 -999 ? >ALA^B 110 14.34 -0.94 4.24 15.47 -0.98 5.27 14.90 -0.96 4.76 2 0 1000.00 -999 ? >SER^B 111 15.44 1.48 1.50 14.66 2.14 -0.70 15.05 1.81 0.40 2 0 1000.00 -999 ? >THR^B 112 17.61 4.39 0.52 19.37 5.06 1.56 18.49 4.72 1.04 2 0 1000.00 -999 ? >LEU^B 113 15.35 6.20 -3.11 14.28 6.78 -4.92 14.81 6.49 -4.02 3 0 1000.00 -999 ? >VAL^B 114 19.16 8.81 -4.21 20.99 8.34 -3.02 20.08 8.57 -3.62 3 0 1000.00 -999 ? >GLU^B 115 19.15 12.00 -9.51 18.76 14.01 -10.00 18.95 13.00 -9.75 2 0 1000.00 -999 ? >VAL.B 116 23.02 9.60 -9.19 23.16 7.39 -9.16 23.09 8.49 -9.17 3 0 1000.00 -999 ? >SER.B 117 24.49 11.50 -12.10 26.86 11.84 -11.71 25.67 11.67 -11.90 2 0 1000.00 -999 ? >GLY.B 118 24.87 8.40 -14.29 24.82 8.11 -13.53 24.84 8.26 -13.91 1 0 1000.00 -999 ? >LEU.B 119 22.94 4.11 -14.65 21.73 4.13 -12.81 22.34 4.12 -13.73 3 0 1000.00 -999 ? >VAL.B 120 26.30 2.20 -16.87 26.70 0.38 -15.72 26.50 1.29 -16.30 3 0 1000.00 -999 ? >PHE.B 121 24.25 -0.07 -20.45 25.95 -2.25 -20.42 25.10 -1.16 -20.43 3 0 1000.00 -999 ? >PRO.B 122 23.36 4.94 -23.41 22.80 4.93 -21.24 23.08 4.94 -22.32 3 0 1000.00 -999 ? >GLU.B 123 18.92 2.95 -23.81 20.83 2.14 -24.27 19.87 2.55 -24.04 2 0 1000.00 -999 ? >LEU.B 124 20.04 2.66 -16.99 20.62 0.56 -17.19 20.33 1.61 -17.09 3 0 1000.00 -999 ? >LEU.B 125 15.22 5.42 -15.51 14.29 6.75 -16.92 14.76 6.08 -16.21 3 0 1000.00 -999 ? >VAL^B 126 17.34 2.98 -12.23 15.58 1.92 -11.30 16.46 2.45 -11.76 3 0 1000.00 -999 ? >GLU^B 127 22.05 -0.44 -10.38 23.90 -0.64 -11.43 22.97 -0.54 -10.91 2 0 1000.00 -999 ? >ILE^B 128 17.47 -1.98 -7.30 16.09 -1.90 -6.79 16.78 -1.94 -7.05 3 0 1000.00 -999 ? >ASP^B 129 22.46 -2.15 -4.40 24.10 -3.32 -3.67 23.28 -2.74 -4.03 2 0 1000.00 -999 ? >ALA^B 130 19.30 -5.69 -3.16 18.36 -6.59 -3.99 18.83 -6.14 -3.58 2 0 1000.00 -999 ? >TRP^B 131 21.19 -4.22 0.34 24.99 -4.73 1.20 23.09 -4.47 0.77 3 0 1000.00 -999 ? >ALA^B 132 18.58 -10.70 1.13 17.89 -11.33 -0.10 18.23 -11.01 0.51 2 0 1000.00 -999 ? >ARG^B 133 19.76 -12.45 7.01 21.97 -14.20 8.17 20.86 -13.33 7.59 2 0 1000.00 -999 ? >LEU.B 134 18.20 -18.25 2.14 18.78 -18.27 0.04 18.49 -18.26 1.09 3 0 1000.00 -999 ? >ASP.B 135 17.56 -18.09 7.38 18.85 -16.49 7.92 18.21 -17.29 7.65 2 0 1000.00 -999 ? >ILE.B 136 14.54 -13.37 7.09 15.53 -12.34 6.95 15.04 -12.85 7.02 3 0 1000.00 -999 ? >ASP~B 137 9.55 -15.05 5.34 7.94 -14.70 3.98 8.75 -14.88 4.66 2 0 1000.00 -999 ? >LEU~B 138 9.79 -9.07 5.02 11.66 -7.96 5.14 10.73 -8.52 5.08 3 0 1000.00 -999 ? >ALA~B 139 5.74 -11.26 5.52 5.19 -12.28 4.50 5.47 -11.77 5.01 2 0 1000.00 -999 ? >ASN~B 140 7.19 -13.60 9.57 7.12 -15.55 8.69 7.16 -14.58 9.13 2 0 1000.00 -999 ? >CYH~B 141 6.37 -9.05 10.35 9.05 -8.54 10.01 7.71 -8.79 10.18 2 0 1000.00 -999 ? >ASP~B 142 2.16 -8.64 7.90 3.19 -8.52 6.03 2.68 -8.58 6.97 2 0 1000.00 -999 ? >GLU.B 143 2.42 -4.76 12.69 3.72 -4.10 14.26 3.07 -4.43 13.48 2 0 1000.00 -999 ? >MET.C 1 28.16 -9.94 22.42 29.95 -6.80 24.47 29.05 -8.37 23.44 2 0 1000.00 -999 ? >THR.C 2 30.50 -9.66 19.47 29.88 -10.16 17.49 30.19 -9.91 18.48 2 0 1000.00 -999 ? >ALA.C 3 33.99 -8.22 19.74 35.24 -9.08 19.91 34.61 -8.65 19.82 2 0 1000.00 -999 ? >VAL^C 4 34.92 -5.14 17.76 33.37 -3.61 18.14 34.14 -4.37 17.95 3 0 1000.00 -999 ? >ARG^C 5 41.95 -6.50 17.37 42.22 -8.62 15.12 42.08 -7.56 16.25 2 0 1000.00 -999 ? >ARG^C 6 40.29 2.06 14.46 40.05 4.99 15.28 40.17 3.52 14.87 2 0 1000.00 -999 ? >ILE.C 7 41.61 -3.26 11.35 42.28 -4.52 11.59 41.95 -3.89 11.47 3 0 1000.00 -999 ? >ARG.C 8 45.08 2.04 14.89 43.36 3.57 16.95 44.22 2.81 15.92 2 0 1000.00 -999 ? >ALA.C 9 47.05 -0.17 8.57 46.44 -0.23 7.19 46.74 -0.20 7.88 2 0 1000.00 -999 ? >ALA.C 10 50.19 1.96 9.09 51.64 1.45 9.16 50.92 1.71 9.12 2 0 1000.00 -999 ? >ALA.C 11 49.71 3.75 5.74 49.90 3.08 4.40 49.80 3.42 5.07 2 0 1000.00 -999 ? >LEU.C 12 45.11 3.73 5.96 45.04 3.30 3.83 45.08 3.52 4.89 3 0 1000.00 -999 ? >PRO.C 13 47.58 7.86 9.32 46.12 6.16 9.43 46.85 7.01 9.38 3 0 1000.00 -999 ? >ASP.C 14 41.66 6.90 12.23 40.64 5.74 10.79 41.15 6.32 11.51 2 0 1000.00 -999 ? >LEU.C 15 44.26 12.06 10.71 46.22 11.77 9.79 45.24 11.92 10.25 3 0 1000.00 -999 ? >PRO.C 16 44.96 14.23 14.88 43.02 13.28 14.24 43.99 13.76 14.56 3 0 1000.00 -999 ? >ASP.C 17 40.41 16.56 11.69 42.32 16.20 10.79 41.37 16.38 11.24 2 0 1000.00 -999 ? >ALA.C 18 38.44 12.35 11.41 39.23 11.19 10.77 38.84 11.77 11.09 2 0 1000.00 -999 ? >SER.C 19 34.93 11.31 12.46 33.51 12.76 11.13 34.22 12.03 11.80 2 0 1000.00 -999 ? >TRP.C 20 37.09 7.47 8.17 37.14 11.33 7.48 37.12 9.40 7.83 3 0 1000.00 -999 ? >SER.C 21 37.26 4.55 11.42 36.93 3.92 13.75 37.10 4.23 12.59 2 0 1000.00 -999 ? >ASN.C 22 40.55 3.39 8.01 40.99 5.37 7.30 40.77 4.38 7.66 2 0 1000.00 -999 ? >ALA^C 23 38.52 -0.39 9.41 39.71 -1.20 8.85 39.11 -0.79 9.13 2 0 1000.00 -999 ? >LEU^C 24 35.43 -1.50 12.70 35.19 0.42 13.67 35.31 -0.54 13.18 3 0 1000.00 -999 ? >LEU^C 25 37.93 -6.82 12.96 38.20 -8.87 12.27 38.07 -7.84 12.61 3 0 1000.00 -999 ? >VAL^C 26 33.24 -6.83 13.89 31.68 -5.31 13.77 32.46 -6.07 13.83 3 0 1000.00 -999 ? >GLY.C 27 33.34 -10.57 14.55 33.80 -10.07 14.05 33.57 -10.32 14.30 1 0 1000.00 -999 ? >GLU.C 28 34.02 -14.59 11.62 36.00 -15.40 11.75 35.01 -15.00 11.68 2 0 1000.00 -999 ? >GLU^C 29 31.34 -7.44 8.40 30.65 -8.32 6.58 31.00 -7.88 7.49 2 0 1000.00 -999 ? >LEU^C 30 37.15 -6.74 7.50 39.05 -5.62 7.84 38.10 -6.18 7.67 3 0 1000.00 -999 ? >VAL^C 31 33.89 -3.22 8.01 32.12 -2.65 9.16 33.00 -2.94 8.59 3 0 1000.00 -999 ? >MET^C 32 35.76 -0.64 5.94 38.38 -3.20 3.75 37.07 -1.92 4.84 2 0 1000.00 -999 ? >SER.C 33 35.41 3.07 5.15 35.64 4.51 7.11 35.53 3.79 6.13 2 0 1000.00 -999 ? >GLY.C 34 35.28 4.08 1.48 35.86 4.20 2.08 35.57 4.14 1.78 1 0 1000.00 -999 ? >MET.C 35 38.73 4.21 0.01 40.91 2.94 2.60 39.82 3.58 1.30 2 0 1000.00 -999 ? >THR.C 36 40.24 6.65 -2.44 39.51 8.50 -1.54 39.87 7.58 -1.99 2 0 1000.00 -999 ? >ALA.C 37 43.56 7.22 -4.17 43.65 7.20 -5.68 43.61 7.21 -4.92 2 0 1000.00 -999 ? >HIS.C 38 43.59 12.48 -0.82 44.37 14.18 0.12 43.98 13.33 -0.35 3 0 1000.00 -999 ? >PRO~C 39 48.06 11.07 0.69 46.49 11.04 -0.94 47.27 11.06 -0.12 3 0 1000.00 -999 ? >ALA~C 40 48.69 9.82 -4.02 48.72 8.31 -4.28 48.71 9.07 -4.15 2 0 1000.00 -999 ? >THR~C 41 46.31 11.57 -6.48 44.32 10.87 -6.10 45.32 11.22 -6.29 2 0 1000.00 -999 ? >ARG~C 42 46.69 17.78 -3.60 44.06 18.20 -1.99 45.37 17.99 -2.79 2 0 1000.00 -999 ? >GLN~C 43 53.24 13.59 -4.95 54.49 12.36 -3.75 53.86 12.97 -4.35 2 0 1000.00 -999 ? >ALA~C 44 50.68 12.98 -8.75 50.05 11.63 -9.05 50.36 12.31 -8.90 2 0 1000.00 -999 ? >ALA~C 45 48.36 15.69 -10.17 46.92 15.89 -9.75 47.64 15.79 -9.96 2 0 1000.00 -999 ? >GLU~C 46 49.51 19.25 -6.29 50.08 19.63 -4.27 49.80 19.44 -5.28 2 0 1000.00 -999 ? >ARG~C 47 55.33 14.82 -7.88 57.95 13.28 -7.35 56.64 14.05 -7.61 2 0 1000.00 -999 ? >GLY.C 48 51.58 17.40 -13.70 51.63 16.71 -13.32 51.60 17.05 -13.51 1 0 1000.00 -999 ? >ALA.C 49 50.75 13.69 -14.09 52.01 12.82 -14.10 51.38 13.26 -14.10 2 0 1000.00 -999 ? >ALA.C 50 47.28 13.05 -12.61 46.01 13.80 -13.00 46.65 13.43 -12.81 2 0 1000.00 -999 ? >LEU.C 51 46.21 8.72 -10.64 47.95 8.62 -9.30 47.08 8.67 -9.97 3 0 1000.00 -999 ? >ASP~C 52 44.06 7.56 -15.99 45.13 5.71 -16.03 44.60 6.63 -16.01 2 0 1000.00 -999 ? >ALA~C 53 40.83 6.05 -13.40 39.48 5.91 -14.14 40.16 5.98 -13.77 2 0 1000.00 -999 ? >HIS~C 54 43.96 0.96 -15.14 45.06 -0.82 -14.97 44.51 0.07 -15.05 3 0 1000.00 -999 ? >ALA~C 55 45.67 3.83 -11.73 46.60 4.95 -12.10 46.14 4.39 -11.91 2 0 1000.00 -999 ? >GLN~C 56 43.01 7.80 -9.53 41.72 9.47 -9.33 42.36 8.63 -9.43 2 0 1000.00 -999 ? >ALA~C 57 41.28 2.08 -8.89 40.55 1.44 -10.08 40.92 1.76 -9.49 2 0 1000.00 -999 ? >LEU~C 58 45.64 -0.10 -9.36 45.68 -1.62 -10.91 45.66 -0.86 -10.13 3 0 1000.00 -999 ? >VAL~C 59 45.60 2.44 -5.60 46.60 4.41 -5.52 46.10 3.42 -5.56 3 0 1000.00 -999 ? >VAL~C 60 42.15 2.17 -4.01 40.19 3.11 -4.37 41.17 2.64 -4.19 3 0 1000.00 -999 ? >LEU~C 61 41.94 -2.52 -5.50 40.10 -3.03 -6.53 41.02 -2.77 -6.02 3 0 1000.00 -999 ? >GLY~C 62 45.61 -1.66 -2.74 44.91 -1.36 -2.44 45.26 -1.51 -2.59 1 0 1000.00 -999 ? >LYS~C 63 44.30 0.25 0.29 44.74 6.49 -0.19 44.52 3.37 0.05 2 0 1000.00 -999 ? >VAL~C 64 41.54 -2.33 0.67 39.55 -2.64 -0.21 40.55 -2.48 0.23 3 0 1000.00 -999 ? >LYS~C 65 44.23 -5.06 0.51 48.97 -7.13 -1.05 46.60 -6.10 -0.27 2 0 1000.00 -999 ? >ALA~C 66 46.26 -3.28 3.22 46.79 -1.87 3.10 46.52 -2.57 3.16 2 0 1000.00 -999 ? >LEU~C 67 41.96 -2.30 5.24 41.67 -0.16 5.68 41.81 -1.23 5.46 3 0 1000.00 -999 ? >LEU~C 68 42.17 -7.41 3.53 40.21 -7.71 2.59 41.19 -7.56 3.06 3 0 1000.00 -999 ? >GLU~C 69 47.15 -8.38 3.34 48.72 -7.96 1.99 47.93 -8.17 2.66 2 0 1000.00 -999 ? >ALA~C 70 46.22 -5.58 8.68 45.99 -4.06 8.73 46.11 -4.82 8.71 2 0 1000.00 -999 ? >ALA~C 71 43.20 -7.52 9.98 41.78 -7.23 9.50 42.49 -7.37 9.74 2 0 1000.00 -999 ? >GLY.C 72 44.78 -10.88 9.08 44.25 -10.53 8.56 44.52 -10.70 8.82 1 0 1000.00 -999 ? >GLY.C 73 42.76 -11.39 5.91 43.51 -11.07 5.80 43.13 -11.23 5.86 1 0 1000.00 -999 ? >HIS~C 74 42.98 -13.96 1.78 41.63 -15.55 1.98 42.31 -14.76 1.88 3 0 1000.00 -999 ? >VAL~C 75 41.71 -10.40 -1.13 42.59 -9.52 -2.93 42.15 -9.96 -2.03 3 0 1000.00 -999 ? >GLY~C 76 39.61 -13.60 -1.23 39.57 -13.01 -0.68 39.59 -13.31 -0.95 1 0 1000.00 -999 ? >ASN.C 77 38.30 -11.72 3.08 39.64 -12.99 4.14 38.97 -12.35 3.61 2 0 1000.00 -999 ? >LEU^C 78 36.69 -8.78 -1.34 37.97 -7.05 -1.01 37.33 -7.91 -1.17 3 0 1000.00 -999 ? >TYR^C 79 30.97 -10.35 0.89 29.94 -8.89 3.08 30.45 -9.62 1.99 3 0 1000.00 -999 ? >LYS^C 80 31.05 -6.99 -2.52 25.02 -5.78 -1.94 28.04 -6.39 -2.23 2 0 1000.00 -999 ? >LEU^C 81 33.63 -3.94 -4.98 35.64 -4.66 -4.60 34.64 -4.30 -4.79 3 0 1000.00 -999 ? >ASN^C 82 29.55 -0.05 -3.17 27.79 -1.21 -2.84 28.67 -0.63 -3.01 2 0 1000.00 -999 ? >VAL^C 83 32.15 1.65 -6.85 33.54 0.77 -8.27 32.84 1.21 -7.56 3 0 1000.00 -999 ? >TYR^C 84 30.38 5.45 -4.85 28.78 4.13 -2.98 29.58 4.79 -3.91 3 0 1000.00 -999 ? >VAL^C 85 32.97 7.06 -10.23 32.78 5.53 -11.77 32.87 6.30 -11.00 3 0 1000.00 -999 ? >THR.C 86 32.79 10.71 -11.34 34.51 11.66 -10.45 33.65 11.18 -10.89 2 0 1000.00 -999 ? >ARG~C 87 35.64 12.01 -16.19 38.62 11.27 -16.47 37.13 11.64 -16.33 2 0 1000.00 -999 ? >ILE~C 88 29.23 6.63 -16.46 28.76 5.98 -16.33 28.99 6.30 -16.40 3 0 1000.00 -999 ? >ALA~C 89 33.01 6.36 -19.18 33.47 7.53 -20.04 33.24 6.94 -19.61 2 0 1000.00 -999 ? >ASP~C 90 36.25 6.00 -15.53 37.33 7.72 -16.12 36.79 6.86 -15.83 2 0 1000.00 -999 ? >LYS~C 91 33.77 1.99 -15.95 28.89 0.45 -19.67 31.33 1.22 -17.81 2 0 1000.00 -999 ? >ASP~C 92 35.98 0.09 -19.82 34.04 0.17 -20.62 35.01 0.13 -20.22 2 0 1000.00 -999 ? >ALA~C 93 39.16 1.11 -16.67 39.57 2.56 -16.54 39.37 1.84 -16.61 2 0 1000.00 -999 ? >ILE~C 94 36.48 0.61 -12.54 36.76 1.28 -12.01 36.62 0.95 -12.27 3 0 1000.00 -999 ? >GLY~C 95 36.96 -3.39 -14.78 37.69 -2.96 -14.75 37.32 -3.17 -14.76 1 0 1000.00 -999 ? >ARG~C 96 41.00 -2.38 -19.69 40.72 0.71 -19.85 40.86 -0.84 -19.77 2 0 1000.00 -999 ? >ALA~C 97 41.91 -2.78 -12.57 41.64 -1.48 -11.83 41.77 -2.13 -12.20 2 0 1000.00 -999 ? >ARG~C 98 36.13 -4.62 -9.84 33.37 -3.79 -10.89 34.75 -4.20 -10.36 2 0 1000.00 -999 ? >GLN~C 99 39.21 -8.11 -15.56 38.47 -10.14 -15.86 38.84 -9.13 -15.71 2 0 1000.00 -999 ? >GLU~C 100 45.20 -5.84 -14.30 45.50 -3.82 -14.91 45.35 -4.83 -14.60 2 0 1000.00 -999 ? >PHE~C 101 42.75 -6.06 -6.65 42.72 -6.04 -3.87 42.73 -6.05 -5.26 3 0 1000.00 -999 ? >PHE~C 102 39.55 -9.57 -7.73 38.34 -8.05 -5.74 38.94 -8.81 -6.73 3 0 1000.00 -999 ? >ALA.C 103 44.08 -12.13 -11.21 45.42 -11.57 -11.70 44.75 -11.85 -11.46 2 0 1000.00 -999 ? >GLY.C 104 44.21 -15.00 -8.65 43.93 -14.76 -9.48 44.07 -14.88 -9.07 1 0 1000.00 -999 ? >GLN.C 105 39.67 -15.01 -6.55 39.20 -13.42 -5.18 39.43 -14.22 -5.87 2 0 1000.00 -999 ? >GLY.C 106 38.26 -17.66 -10.24 38.12 -17.08 -9.71 38.19 -17.37 -9.98 1 0 1000.00 -999 ? >THR.C 107 35.35 -15.72 -8.76 33.89 -17.03 -7.88 34.62 -16.38 -8.32 2 0 1000.00 -999 ? >PHE.C 108 35.72 -11.04 -10.59 37.79 -11.09 -12.48 36.75 -11.07 -11.54 3 0 1000.00 -999 ? >PRO.C 109 35.04 -9.22 -4.99 33.47 -10.41 -6.05 34.26 -9.82 -5.52 3 0 1000.00 -999 ? >ALA^C 110 29.48 -8.77 -6.34 28.22 -8.88 -5.46 28.85 -8.83 -5.90 2 0 1000.00 -999 ? >SER^C 111 29.53 -5.14 -7.44 30.94 -3.54 -8.52 30.24 -4.34 -7.98 2 0 1000.00 -999 ? >THR^C 112 27.49 -2.01 -8.01 25.55 -1.64 -7.17 26.52 -1.82 -7.59 2 0 1000.00 -999 ? >LEU^C 113 30.00 0.41 -11.15 31.40 1.60 -12.39 30.70 1.01 -11.77 3 0 1000.00 -999 ? >VAL^C 114 27.40 4.28 -10.35 26.02 4.10 -8.65 26.71 4.19 -9.50 3 0 1000.00 -999 ? >GLU^C 115 29.04 9.60 -13.02 28.52 10.56 -14.80 28.78 10.08 -13.91 2 0 1000.00 -999 ? >VAL.C 116 28.19 10.21 -8.53 29.26 9.28 -6.85 28.72 9.75 -7.69 3 0 1000.00 -999 ? >SER.C 117 28.26 13.97 -8.80 27.40 16.19 -8.47 27.83 15.08 -8.64 2 0 1000.00 -999 ? >GLY.C 118 31.47 14.41 -6.74 31.08 13.75 -6.44 31.28 14.08 -6.59 1 0 1000.00 -999 ? >LEU.C 119 34.88 11.77 -4.84 34.36 9.84 -5.71 34.62 10.80 -5.27 3 0 1000.00 -999 ? >VAL.C 120 35.71 14.31 -1.25 35.91 12.73 0.28 35.81 13.52 -0.49 3 0 1000.00 -999 ? >PHE.C 121 40.32 15.28 -1.38 40.68 15.32 1.39 40.50 15.30 0.01 3 0 1000.00 -999 ? >PRO.C 122 39.63 19.02 -5.90 38.64 17.02 -6.08 39.13 18.02 -5.99 3 0 1000.00 -999 ? >GLU.C 123 43.60 16.08 -7.33 43.23 17.17 -5.55 43.42 16.63 -6.44 2 0 1000.00 -999 ? >LEU.C 124 38.79 11.48 -6.04 39.92 11.10 -4.20 39.35 11.29 -5.12 3 0 1000.00 -999 ? >LEU.C 125 38.63 9.29 -11.34 39.21 10.52 -13.01 38.92 9.90 -12.18 3 0 1000.00 -999 ? >VAL^C 126 36.73 6.79 -7.99 37.73 4.87 -8.40 37.23 5.83 -8.20 3 0 1000.00 -999 ? >GLU^C 127 35.19 6.32 -2.07 34.90 7.97 -0.73 35.05 7.14 -1.40 2 0 1000.00 -999 ? >ILE^C 128 36.13 0.92 -4.03 36.36 -0.19 -5.01 36.24 0.37 -4.52 3 0 1000.00 -999 ? >ASP^C 129 31.80 1.39 -0.15 31.06 0.98 1.81 31.43 1.19 0.83 2 0 1000.00 -999 ? >ALA^C 130 34.38 -2.75 0.12 35.87 -3.06 0.01 35.13 -2.91 0.07 2 0 1000.00 -999 ? >TRP^C 131 30.31 -3.79 0.71 28.26 -2.88 3.96 29.28 -3.33 2.33 3 0 1000.00 -999 ? >ALA^C 132 34.68 -8.52 3.41 36.20 -8.22 3.33 35.44 -8.37 3.37 2 0 1000.00 -999 ? >ARG^C 133 31.25 -13.03 5.48 30.13 -14.71 7.85 30.69 -13.87 6.66 2 0 1000.00 -999 ? >LEU.C 134 38.26 -12.83 8.52 38.89 -10.77 8.93 38.57 -11.80 8.73 3 0 1000.00 -999 ? >ASP.C 135 34.72 -16.96 8.36 32.84 -15.99 8.18 33.78 -16.47 8.27 2 0 1000.00 -999 ? >ILE.C 136 34.00 -16.20 2.82 33.01 -15.19 2.64 33.50 -15.69 2.73 3 0 1000.00 -999 ? >ASP~C 137 38.67 -18.29 0.78 40.36 -17.97 -0.45 39.51 -18.13 0.17 2 0 1000.00 -999 ? >LEU~C 138 35.94 -15.31 -3.67 34.03 -14.31 -3.21 34.98 -14.81 -3.44 3 0 1000.00 -999 ? >ALA~C 139 39.32 -18.37 -4.42 40.72 -18.22 -3.85 40.02 -18.29 -4.14 2 0 1000.00 -999 ? >ASN~C 140 38.34 -22.67 -2.44 39.79 -21.76 -1.15 39.06 -22.22 -1.79 2 0 1000.00 -999 ? >CYH~C 141 34.01 -21.01 -4.33 31.98 -19.42 -5.44 32.99 -20.21 -4.88 2 0 1000.00 -999 ? >ASP.C 142 30.52 -24.34 -3.58 31.19 -24.34 -1.56 30.85 -24.34 -2.57 2 0 1000.00 -999 ?