REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-OCT-01 1K3R COMPND CONSERVED PROTEIN MT0001; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS; SOURCE 3 ORGANISM_TAXID: 145262; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET-15B AUTHOR T.I.ZAREMBINSKI,Y.KIM,K.PETERSON,D.CHRISTENDAT,A.DHARAMSI, AUTHOR 2 C.H.ARROWSMITH,A.M.EDWARDS,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 3 STRUCTURAL GENOMICS (MCSG) >MET.A 1 42.45 -15.24 12.54 40.35 -12.72 12.83 41.40 -13.98 12.68 2 0 1000.00 -999 ? >ASN.A 2 42.03 -16.57 8.09 42.04 -16.31 5.96 42.04 -16.44 7.02 2 0 1000.00 -999 ? >ARG.A 3 37.03 -18.21 6.99 36.21 -19.34 9.75 36.62 -18.77 8.37 2 0 1000.00 -999 ? >VAL.A 4 36.32 -15.64 12.68 36.80 -17.24 14.06 36.56 -16.44 13.37 3 0 1000.00 -999 ? >ASP^A 5 33.64 -11.64 12.89 33.73 -11.26 10.80 33.69 -11.45 11.84 2 0 1000.00 -999 ? >LEU^A 6 37.58 -11.09 17.29 38.79 -12.74 17.95 38.19 -11.92 17.62 3 0 1000.00 -999 ? >SER^A 7 34.33 -8.72 19.23 32.27 -9.86 19.85 33.30 -9.29 19.54 2 0 1000.00 -999 ? >LEU^A 8 37.27 -6.65 22.36 39.14 -7.30 21.60 38.20 -6.97 21.98 3 0 1000.00 -999 ? >PHE^A 9 31.78 -7.67 25.21 29.54 -8.21 23.62 30.66 -7.94 24.41 3 0 1000.00 -999 ? >ILE^A 10 36.82 -3.14 27.22 37.56 -2.58 26.19 37.19 -2.86 26.70 3 0 1000.00 -999 ? >PRO^A 11 36.43 -3.29 31.97 34.80 -2.73 30.55 35.61 -3.01 31.26 3 0 1000.00 -999 ? >ASP.A 12 32.59 2.14 30.92 31.23 1.85 32.58 31.91 2.00 31.75 2 0 1000.00 -999 ? >SER.A 13 35.95 1.40 34.26 35.72 -0.76 35.32 35.84 0.32 34.79 2 0 1000.00 -999 ? >LEU.A 14 39.46 -0.04 31.21 39.98 0.69 29.26 39.72 0.33 30.23 3 0 1000.00 -999 ? >THR.A 15 40.67 4.10 33.03 39.99 5.16 31.31 40.33 4.63 32.17 2 0 1000.00 -999 ? >ALA.A 16 39.31 4.71 36.53 38.28 3.82 37.23 38.79 4.26 36.88 2 0 1000.00 -999 ? >GLU.A 17 42.14 1.60 38.64 41.66 1.12 36.63 41.90 1.36 37.63 2 0 1000.00 -999 ? >THR.A 18 44.77 6.21 36.15 45.01 6.20 34.00 44.89 6.20 35.07 2 0 1000.00 -999 ? >GLY.A 19 44.73 9.85 37.21 45.06 9.61 36.56 44.90 9.73 36.89 1 0 1000.00 -999 ? >ASP~A 20 48.31 11.13 34.26 49.20 12.32 32.77 48.75 11.72 33.52 2 0 1000.00 -999 ? >LEU~A 21 44.06 13.76 31.16 42.34 14.03 29.86 43.20 13.89 30.51 3 0 1000.00 -999 ? >LYS~A 22 47.56 12.04 29.00 52.15 15.44 27.55 49.86 13.74 28.27 2 0 1000.00 -999 ? >ILE~A 23 48.80 8.15 31.76 50.01 7.62 31.38 49.41 7.88 31.57 3 0 1000.00 -999 ? >LYS~A 24 44.58 7.76 30.33 40.61 9.68 34.06 42.60 8.72 32.20 2 0 1000.00 -999 ? >THR~A 25 44.12 8.63 26.72 44.65 10.68 26.24 44.39 9.65 26.48 2 0 1000.00 -999 ? >TYR~A 26 49.71 6.16 25.57 51.62 4.93 23.96 50.66 5.54 24.77 3 0 1000.00 -999 ? >LYS~A 27 45.87 3.68 27.82 46.83 3.21 33.87 46.35 3.44 30.84 2 0 1000.00 -999 ? >VAL~A 28 42.78 3.60 25.62 40.82 4.58 25.84 41.80 4.09 25.73 3 0 1000.00 -999 ? >VAL~A 29 44.88 3.94 22.46 46.24 5.60 22.62 45.56 4.77 22.54 3 0 1000.00 -999 ? >LEU~A 30 47.42 0.36 24.70 49.41 0.99 25.41 48.41 0.68 25.06 3 0 1000.00 -999 ? >ILE~A 31 42.13 -0.81 24.06 41.27 -1.59 25.04 41.70 -1.20 24.55 3 0 1000.00 -999 ? >ALA~A 32 42.69 0.54 19.76 42.67 1.99 19.43 42.68 1.26 19.59 2 0 1000.00 -999 ? >ARG~A 33 49.40 1.25 18.28 50.55 -0.08 15.76 49.98 0.58 17.02 2 0 1000.00 -999 ? >ALA~A 34 45.59 -4.18 20.05 45.38 -4.56 21.48 45.49 -4.37 20.76 2 0 1000.00 -999 ? >ALA~A 35 42.20 -4.51 18.43 40.99 -3.61 18.70 41.59 -4.06 18.56 2 0 1000.00 -999 ? >SER~A 36 43.56 -3.34 15.08 42.98 -1.00 15.13 43.27 -2.17 15.10 2 0 1000.00 -999 ? >ILE~A 37 47.76 -5.58 16.34 49.05 -5.52 16.89 48.40 -5.55 16.61 3 0 1000.00 -999 ? >PHE~A 38 45.89 -9.49 17.41 48.41 -9.93 18.58 47.15 -9.71 17.99 3 0 1000.00 -999 ? >GLY.A 39 41.89 -7.50 13.06 41.82 -7.59 13.80 41.86 -7.55 13.43 1 0 1000.00 -999 ? >VAL.A 40 39.14 -7.11 15.67 39.02 -6.96 17.86 39.08 -7.04 16.77 3 0 1000.00 -999 ? >LYS.A 41 35.81 -6.16 14.00 37.83 -7.68 9.47 36.82 -6.92 11.73 2 0 1000.00 -999 ? >ARG^A 42 30.58 -5.64 17.97 28.87 -7.04 15.87 29.72 -6.34 16.92 2 0 1000.00 -999 ? >ILE^A 43 35.97 -2.18 20.63 37.35 -1.87 20.90 36.66 -2.03 20.76 3 0 1000.00 -999 ? >VAL^A 44 32.06 -3.17 23.06 30.35 -4.53 22.91 31.21 -3.85 22.99 3 0 1000.00 -999 ? >ILE^A 45 32.44 0.74 25.87 33.35 1.93 25.91 32.90 1.34 25.89 3 0 1000.00 -999 ? >TYR^A 46 30.68 -4.18 29.75 32.67 -5.51 31.22 31.68 -4.85 30.49 3 0 1000.00 -999 ? >HIS^A 47 27.38 1.00 33.47 27.16 2.37 35.04 27.27 1.68 34.25 3 0 1000.00 -999 ? >ASP.A 48 32.27 -1.76 35.06 33.17 -3.04 36.45 32.72 -2.40 35.76 2 0 1000.00 -999 ? >ASP.A 49 29.77 -2.83 39.65 29.40 -4.86 39.17 29.58 -3.84 39.41 2 0 1000.00 -999 ? >ALA.A 50 31.18 1.31 39.54 32.69 1.40 39.75 31.94 1.36 39.64 2 0 1000.00 -999 ? >ASP.A 51 31.16 6.01 38.38 30.30 6.10 40.30 30.73 6.06 39.34 2 0 1000.00 -999 ? >GLY.A 52 32.53 4.83 34.26 32.26 5.52 34.41 32.40 5.18 34.34 1 0 1000.00 -999 ? >GLU~A 53 35.89 7.91 33.09 37.92 8.42 33.46 36.90 8.16 33.27 2 0 1000.00 -999 ? >ALA~A 54 32.45 5.19 28.55 30.99 4.69 28.58 31.72 4.94 28.56 2 0 1000.00 -999 ? >ARG~A 55 31.26 12.25 27.33 30.83 15.29 27.20 31.04 13.77 27.27 2 0 1000.00 -999 ? >PHE~A 56 38.17 9.47 28.05 40.98 9.57 27.88 39.58 9.52 27.96 3 0 1000.00 -999 ? >ILE~A 57 36.38 4.28 26.95 36.70 3.16 27.79 36.54 3.72 27.37 3 0 1000.00 -999 ? >ARG~A 58 30.92 6.25 21.78 31.42 9.30 21.80 31.17 7.77 21.79 2 0 1000.00 -999 ? >ASP~A 59 35.66 10.18 22.76 33.72 11.13 22.67 34.69 10.66 22.72 2 0 1000.00 -999 ? >ILE~A 60 40.27 7.50 23.16 41.21 8.58 23.17 40.74 8.04 23.17 3 0 1000.00 -999 ? >LEU~A 61 37.79 3.40 20.85 38.23 1.75 22.21 38.01 2.58 21.53 3 0 1000.00 -999 ? >THR~A 62 36.62 6.06 17.53 34.48 6.45 17.36 35.55 6.25 17.44 2 0 1000.00 -999 ? >TYR~A 63 40.79 10.74 17.70 42.82 12.54 16.96 41.80 11.64 17.33 3 0 1000.00 -999 ? >MET~A 64 41.74 6.24 16.43 44.18 5.19 19.46 42.96 5.72 17.95 2 0 1000.00 -999 ? >ASP~A 65 38.53 3.34 14.39 37.84 2.22 12.79 38.19 2.78 13.59 2 0 1000.00 -999 ? >THR~A 66 38.67 7.34 12.06 37.29 8.99 12.51 37.98 8.17 12.29 2 0 1000.00 -999 ? >PRO~A 67 39.42 7.29 7.74 40.49 8.02 9.55 39.95 7.65 8.64 3 0 1000.00 -999 ? >GLN~A 68 45.57 9.89 9.24 44.76 8.96 7.50 45.17 9.42 8.37 2 0 1000.00 -999 ? >TYR~A 69 41.36 12.12 5.27 40.33 9.70 4.28 40.84 10.91 4.77 3 0 1000.00 -999 ? >LEU~A 70 37.53 12.07 8.66 36.66 11.87 6.70 37.09 11.97 7.68 3 0 1000.00 -999 ? >ARG~A 71 42.50 11.91 13.60 43.85 9.18 13.67 43.17 10.54 13.64 2 0 1000.00 -999 ? >ARG~A 72 42.07 16.31 11.22 40.26 16.84 8.79 41.17 16.57 10.00 2 0 1000.00 -999 ? >LYS~A 73 35.94 17.45 11.17 35.01 18.87 5.49 35.47 18.16 8.33 2 0 1000.00 -999 ? >VAL~A 74 34.40 14.68 13.27 34.06 12.61 12.61 34.23 13.65 12.94 3 0 1000.00 -999 ? >PHE~A 75 36.81 13.17 16.92 36.00 10.52 16.51 36.41 11.84 16.72 3 0 1000.00 -999 ? >PRO.A 76 33.09 18.27 18.33 35.28 18.29 18.01 34.18 18.28 18.17 3 0 1000.00 -999 ? >ILE.A 77 39.87 18.58 18.89 40.75 18.60 18.89 40.31 18.59 18.89 3 0 1000.00 -999 ? >MET~A 78 37.69 19.97 23.17 33.89 21.69 23.36 35.79 20.83 23.27 2 0 1000.00 -999 ? >ARG~A 79 39.47 21.23 30.01 40.76 22.33 32.59 40.11 21.78 31.30 2 0 1000.00 -999 ? >GLU~A 80 36.67 13.93 27.18 36.79 13.61 29.27 36.73 13.77 28.22 2 0 1000.00 -999 ? >LEU~A 81 39.63 14.59 22.79 38.12 13.07 22.52 38.88 13.83 22.66 3 0 1000.00 -999 ? >LYS~A 82 43.16 17.47 24.41 42.22 19.44 28.95 42.69 18.46 26.68 2 0 1000.00 -999 ? >HIS~A 83 46.68 15.14 26.95 46.95 16.50 28.51 46.81 15.82 27.73 3 0 1000.00 -999 ? >VAL~A 84 44.58 12.99 21.64 43.09 13.41 20.14 43.83 13.20 20.89 3 0 1000.00 -999 ? >GLY~A 85 47.78 14.34 20.10 47.78 13.77 20.63 47.78 14.05 20.36 1 0 1000.00 -999 ? >ILE~A 86 50.72 11.97 23.13 50.29 11.96 23.83 50.50 11.96 23.48 3 0 1000.00 -999 ? >LEU~A 87 46.78 8.79 19.81 45.14 9.01 21.18 45.96 8.90 20.50 3 0 1000.00 -999 ? >PRO.A 88 49.22 4.68 19.69 49.90 6.63 18.92 49.56 5.65 19.30 3 0 1000.00 -999 ? >PRO.A 89 52.00 5.81 14.44 50.00 6.17 15.34 51.00 5.99 14.89 3 0 1000.00 -999 ? >LEU.A 90 46.05 3.43 13.76 45.10 1.75 14.64 45.57 2.59 14.20 3 0 1000.00 -999 ? >ARG.A 91 51.74 3.92 9.23 54.46 2.72 8.30 53.10 3.32 8.77 2 0 1000.00 -999 ? >THR.A 92 45.69 0.32 8.59 44.38 0.61 10.25 45.04 0.46 9.42 2 0 1000.00 -999 ? >PRO.A 93 44.29 -2.26 5.37 44.41 -0.07 5.75 44.35 -1.16 5.56 3 0 1000.00 -999 ? >HIS.A 94 40.26 2.10 8.10 40.46 1.60 10.13 40.36 1.85 9.12 3 0 1000.00 -999 ? >HIS.A 95 43.96 4.80 9.63 42.62 4.61 11.23 43.29 4.70 10.43 3 0 1000.00 -999 ? >PRO.A 96 43.54 6.37 2.84 45.17 5.85 4.25 44.36 6.11 3.55 3 0 1000.00 -999 ? >THR.A 97 47.87 9.03 3.44 49.50 8.44 4.73 48.68 8.74 4.08 2 0 1000.00 -999 ? >GLY.A 98 48.36 11.30 0.48 47.64 10.98 0.69 48.00 11.14 0.58 1 0 1000.00 -999 ? >LYS.A 99 46.08 12.10 -2.44 43.07 16.49 -4.01 44.57 14.30 -3.22 2 0 1000.00 -999 ? >PRO.A 100 41.96 11.30 -3.41 43.85 10.09 -3.33 42.90 10.69 -3.37 3 0 1000.00 -999 ? >VAL.A 101 44.23 7.35 -6.62 45.90 6.16 -5.95 45.07 6.75 -6.28 3 0 1000.00 -999 ? >THR.A 102 41.79 5.71 -9.03 41.37 6.15 -11.13 41.58 5.93 -10.08 2 0 1000.00 -999 ? >GLY.A 103 40.30 2.43 -7.86 40.51 2.99 -7.36 40.40 2.71 -7.61 1 0 1000.00 -999 ? >GLU.A 104 42.59 4.43 -2.38 43.66 6.25 -1.97 43.12 5.34 -2.18 2 0 1000.00 -999 ? >TYR^A 105 38.07 0.06 -1.61 36.76 -1.88 -3.15 37.41 -0.91 -2.38 3 0 1000.00 -999 ? >ARG^A 106 40.82 7.86 -0.74 43.15 9.30 0.67 41.99 8.58 -0.03 2 0 1000.00 -999 ? >GLN^A 107 36.23 4.41 5.83 36.67 3.85 7.86 36.45 4.13 6.85 2 0 1000.00 -999 ? >GLY^A 108 34.59 9.46 3.55 34.14 9.00 4.06 34.37 9.23 3.80 1 0 1000.00 -999 ? >LEU^A 109 32.99 12.72 6.52 32.03 13.92 8.01 32.51 13.32 7.26 3 0 1000.00 -999 ? >THR^A 110 29.27 12.81 3.57 27.74 11.36 4.01 28.50 12.09 3.79 2 0 1000.00 -999 ? >VAL^A 111 29.24 16.62 3.74 31.11 17.76 3.69 30.17 17.19 3.72 3 0 1000.00 -999 ? >LYS^A 112 26.64 18.59 1.75 28.84 22.82 5.07 27.74 20.71 3.41 2 0 1000.00 -999 ? >ARG^A 113 21.16 14.56 -0.74 20.97 14.92 2.31 21.06 14.74 0.79 2 0 1000.00 -999 ? >VAL.A 114 23.79 18.90 -4.00 25.89 19.08 -4.50 24.84 18.99 -4.25 3 0 1000.00 -999 ? >LYS.A 115 21.79 18.41 -7.21 17.49 17.70 -9.54 19.64 18.06 -8.37 2 0 1000.00 -999 ? >LYS.A 116 24.52 16.22 -8.66 24.98 20.89 -7.31 24.75 18.55 -7.99 2 0 1000.00 -999 ? >GLY.A 117 24.11 14.04 -5.57 24.39 14.80 -5.36 24.25 14.42 -5.46 1 0 1000.00 -999 ? >THR^A 118 26.20 14.04 -2.38 25.63 12.88 -0.63 25.92 13.46 -1.51 2 0 1000.00 -999 ? >LEU^A 119 29.55 17.43 -1.57 29.62 18.54 -3.40 29.58 17.99 -2.48 3 0 1000.00 -999 ? >VAL^A 120 31.93 14.01 0.45 32.19 11.84 0.08 32.06 12.93 0.27 3 0 1000.00 -999 ? >ASP^A 121 35.37 15.26 3.57 37.37 15.81 3.97 36.37 15.54 3.77 2 0 1000.00 -999 ? >ILE.A 122 37.53 10.96 -0.01 37.30 10.72 -1.22 37.42 10.84 -0.62 3 0 1000.00 -999 ? >GLY.A 123 40.88 13.62 2.03 40.58 13.72 1.33 40.73 13.67 1.68 1 0 1000.00 -999 ? >ALA.A 124 41.68 15.44 -1.24 41.42 14.60 -2.46 41.55 15.02 -1.85 2 0 1000.00 -999 ? >ASP.A 125 39.43 18.71 -3.46 38.03 20.21 -3.99 38.73 19.46 -3.73 2 0 1000.00 -999 ? >LYS.A 126 35.38 17.53 -1.90 33.39 20.31 2.14 34.39 18.92 0.12 2 0 1000.00 -999 ? >LEU^A 127 35.02 13.10 -3.51 35.07 11.33 -4.70 35.05 12.22 -4.10 3 0 1000.00 -999 ? >ALA^A 128 31.01 13.80 -5.42 30.57 14.61 -6.65 30.79 14.20 -6.03 2 0 1000.00 -999 ? >LEU^A 129 28.67 9.99 -3.68 28.13 7.90 -3.68 28.40 8.94 -3.68 3 0 1000.00 -999 ? >CYH.A 130 26.13 10.35 -7.54 26.87 10.71 -10.26 26.50 10.53 -8.90 2 0 1000.00 -999 ? >ARG.A 131 23.69 5.19 -2.87 24.61 2.30 -2.39 24.15 3.75 -2.63 2 0 1000.00 -999 ? >GLU.A 132 19.52 12.65 -4.97 20.64 14.42 -5.33 20.08 13.53 -5.15 2 0 1000.00 -999 ? >LYS.A 133 20.23 10.63 -1.15 17.99 9.89 2.24 19.11 10.26 0.55 2 0 1000.00 -999 ? >LEU.A 134 24.79 9.95 0.52 25.92 8.18 0.05 25.35 9.06 0.28 3 0 1000.00 -999 ? >THR.A 135 22.42 11.13 4.32 21.99 9.55 5.77 22.20 10.34 5.05 2 0 1000.00 -999 ? >VAL.A 136 24.93 13.84 5.35 24.09 15.81 4.96 24.51 14.83 5.15 3 0 1000.00 -999 ? >ASN.A 137 26.77 14.56 9.36 28.08 14.82 11.01 27.42 14.69 10.18 2 0 1000.00 -999 ? >ARG.A 138 25.21 10.08 8.73 22.71 8.61 9.75 23.96 9.34 9.24 2 0 1000.00 -999 ? >ILE^A 139 32.33 7.83 8.72 33.69 8.00 9.30 33.01 7.92 9.01 3 0 1000.00 -999 ? >MET^A 140 30.97 5.59 4.72 27.23 6.54 3.27 29.10 6.06 3.99 2 0 1000.00 -999 ? >SER^A 141 33.25 3.51 2.56 33.59 1.77 4.19 33.42 2.64 3.37 2 0 1000.00 -999 ? >PHE^A 142 32.61 6.75 -0.56 30.66 8.17 0.80 31.63 7.46 0.12 3 0 1000.00 -999 ? >ARG^A 143 36.81 1.46 -6.58 34.21 0.91 -8.11 35.51 1.18 -7.35 2 0 1000.00 -999 ? >VAL^A 144 37.18 6.23 -6.19 38.89 7.56 -5.90 38.04 6.90 -6.04 3 0 1000.00 -999 ? >VAL^A 145 35.57 5.91 -9.63 33.52 5.70 -10.28 34.54 5.80 -9.95 3 0 1000.00 -999 ? >ARG^A 146 38.22 8.20 -14.28 40.94 8.47 -12.87 39.58 8.34 -13.58 2 0 1000.00 -999 ? >LEU.A 147 41.21 11.53 -10.69 42.29 10.60 -9.07 41.75 11.06 -9.88 3 0 1000.00 -999 ? >GLY.A 148 39.44 15.34 -11.81 39.54 15.29 -10.95 39.49 15.32 -11.38 1 0 1000.00 -999 ? >LYS.A 149 38.72 18.74 -10.30 38.65 25.07 -10.89 38.68 21.90 -10.60 2 0 1000.00 -999 ? >GLU.A 150 33.56 17.31 -7.66 31.68 18.24 -8.01 32.62 17.78 -7.83 2 0 1000.00 -999 ? >ILE.A 151 37.62 12.82 -6.67 38.88 12.34 -6.15 38.25 12.58 -6.41 3 0 1000.00 -999 ? >LEU^A 152 33.66 10.43 -9.85 31.66 9.91 -10.46 32.66 10.17 -10.15 3 0 1000.00 -999 ? >ILE^A 153 33.73 8.08 -4.60 34.30 9.00 -3.59 34.01 8.54 -4.09 3 0 1000.00 -999 ? >GLU^A 154 31.48 3.20 -6.62 31.09 1.64 -8.00 31.29 2.42 -7.31 2 0 1000.00 -999 ? >PRO^A 155 27.51 4.02 -2.39 29.72 4.00 -2.63 28.62 4.01 -2.51 3 0 1000.00 -999 ? >ASP.A 156 32.47 0.28 -3.03 32.91 -1.68 -3.59 32.69 -0.70 -3.31 2 0 1000.00 -999 ? >GLU.A 157 32.26 -1.25 3.29 31.79 -2.20 5.11 32.03 -1.73 4.20 2 0 1000.00 -999 ? >PRO.A 158 37.66 -1.85 1.20 36.05 -3.37 0.87 36.85 -2.61 1.04 3 0 1000.00 -999 ? >GLU.A 159 34.12 -7.73 0.29 32.75 -9.07 -0.58 33.44 -8.40 -0.15 2 0 1000.00 -999 ? >ASP.A 160 40.33 -8.24 -0.60 40.97 -6.29 -0.99 40.65 -7.26 -0.79 2 0 1000.00 -999 ? >ARG.A 161 41.44 -3.11 1.69 41.91 -2.93 -1.35 41.67 -3.02 0.17 2 0 1000.00 -999 ? >TYR.A 162 41.67 -4.69 9.69 40.75 -3.86 12.21 41.21 -4.27 10.95 3 0 1000.00 -999 ? >TRP.A 163 35.92 -0.45 5.72 38.89 0.83 3.49 37.40 0.19 4.60 3 0 1000.00 -999 ? >GLY.A 164 38.86 -1.23 11.19 38.42 -1.86 10.99 38.64 -1.55 11.09 1 0 1000.00 -999 ? >TYR.A 165 37.91 -0.96 16.05 39.38 1.24 17.05 38.64 0.14 16.55 3 0 1000.00 -999 ? >GLU^A 166 31.10 -2.09 15.23 29.00 -2.30 14.88 30.05 -2.20 15.06 2 0 1000.00 -999 ? >VAL^A 167 32.80 0.68 18.63 33.79 2.59 19.21 33.30 1.64 18.92 3 0 1000.00 -999 ? >LEU^A 168 28.89 -1.39 20.33 28.05 -2.07 18.47 28.47 -1.73 19.40 3 0 1000.00 -999 ? >ASP^A 169 29.19 3.71 23.34 29.04 4.64 25.23 29.11 4.18 24.28 2 0 1000.00 -999 ? >THR^A 170 26.00 0.33 24.94 26.46 -1.77 25.04 26.23 -0.72 24.99 2 0 1000.00 -999 ? >ARG^A 171 26.47 4.99 27.71 28.33 7.40 27.35 27.40 6.20 27.53 2 0 1000.00 -999 ? >ARG^A 172 21.02 -2.34 29.95 18.16 -1.93 28.92 19.59 -2.14 29.43 2 0 1000.00 -999 ? >ASN^A 173 25.20 -4.32 33.03 23.88 -5.98 32.80 24.54 -5.15 32.92 2 0 1000.00 -999 ? >LEU~A 174 28.67 -7.61 31.12 30.22 -8.79 30.18 29.44 -8.20 30.65 3 0 1000.00 -999 ? >ALA~A 175 24.66 -9.23 30.41 23.77 -9.47 31.64 24.22 -9.35 31.02 2 0 1000.00 -999 ? >GLU~A 176 20.96 -5.97 29.92 19.27 -7.19 29.62 20.12 -6.58 29.77 2 0 1000.00 -999 ? >SER~A 177 25.44 -5.61 26.04 26.51 -3.78 27.33 25.97 -4.69 26.68 2 0 1000.00 -999 ? >LEU~A 178 26.60 -10.30 26.37 28.52 -11.31 26.19 27.56 -10.81 26.28 3 0 1000.00 -999 ? >LYS~A 179 22.60 -9.90 24.61 19.35 -12.74 27.86 20.98 -11.32 26.24 2 0 1000.00 -999 ? >THR~A 180 22.85 -7.23 21.91 23.12 -5.08 21.87 22.98 -6.15 21.89 2 0 1000.00 -999 ? >VAL~A 181 25.64 -8.51 19.62 27.60 -7.89 20.43 26.62 -8.20 20.03 3 0 1000.00 -999 ? >GLY~A 182 25.01 -12.11 20.69 25.45 -11.81 20.14 25.23 -11.96 20.41 1 0 1000.00 -999 ? >ALA.A 183 27.76 -14.19 19.08 29.21 -13.80 19.26 28.49 -14.00 19.17 2 0 1000.00 -999 ? >ASP.A 184 28.10 -18.69 17.27 29.79 -17.97 16.24 28.95 -18.33 16.75 2 0 1000.00 -999 ? >VAL^A 185 30.82 -18.21 20.98 32.36 -19.56 20.37 31.59 -18.88 20.68 3 0 1000.00 -999 ? >VAL^A 186 31.34 -16.22 24.12 29.72 -14.99 24.93 30.53 -15.60 24.53 3 0 1000.00 -999 ? >VAL^A 187 34.80 -16.58 25.70 36.62 -17.35 24.68 35.71 -16.96 25.19 3 0 1000.00 -999 ? >ALA^A 188 35.04 -15.04 29.18 33.99 -15.29 30.23 34.52 -15.16 29.70 2 0 1000.00 -999 ? >THR^A 189 38.59 -14.52 30.47 39.49 -13.01 29.17 39.04 -13.77 29.82 2 0 1000.00 -999 ? >SER.A 190 39.31 -14.74 34.19 38.24 -15.25 36.30 38.77 -14.99 35.24 2 0 1000.00 -999 ? >ARG.A 191 44.76 -14.64 38.93 46.90 -13.13 40.51 45.83 -13.88 39.72 2 0 1000.00 -999 ? >ASN.A 192 39.34 -17.40 39.32 40.18 -16.32 40.94 39.76 -16.86 40.13 2 0 1000.00 -999 ? >ALA.A 193 39.29 -19.91 35.28 38.65 -19.35 34.03 38.97 -19.63 34.65 2 0 1000.00 -999 ? >SER.A 194 41.17 -22.96 34.03 39.51 -23.83 32.48 40.34 -23.40 33.25 2 0 1000.00 -999 ? >PRO.A 195 45.44 -22.99 34.40 43.99 -22.34 32.85 44.72 -22.67 33.63 3 0 1000.00 -999 ? >ILE.A 196 44.55 -20.63 27.78 44.26 -20.47 27.01 44.40 -20.55 27.39 3 0 1000.00 -999 ? >THR.A 197 47.24 -24.24 28.45 48.77 -23.42 29.66 48.01 -23.83 29.05 2 0 1000.00 -999 ? >SER.A 198 45.06 -27.09 29.73 45.45 -26.68 32.08 45.26 -26.88 30.90 2 0 1000.00 -999 ? >ILE~A 199 40.66 -25.75 28.32 39.29 -25.79 28.93 39.97 -25.77 28.62 3 0 1000.00 -999 ? >LEU~A 200 45.29 -25.53 24.52 46.29 -24.12 23.25 45.79 -24.82 23.89 3 0 1000.00 -999 ? >ASP~A 201 42.90 -29.23 21.74 44.32 -29.42 20.17 43.61 -29.33 20.95 2 0 1000.00 -999 ? >GLU~A 202 37.02 -26.82 24.79 36.27 -27.08 26.75 36.65 -26.95 25.77 2 0 1000.00 -999 ? >VAL~A 203 39.23 -23.53 22.64 39.98 -21.88 23.87 39.61 -22.71 23.25 3 0 1000.00 -999 ? >LYS~A 204 40.95 -24.21 19.34 45.38 -24.78 16.04 43.17 -24.49 17.69 2 0 1000.00 -999 ? >THR~A 205 37.91 -26.14 18.14 37.57 -28.28 18.20 37.74 -27.21 18.17 2 0 1000.00 -999 ? >ARG~A 206 34.56 -25.46 22.38 32.49 -25.50 24.65 33.52 -25.48 23.51 2 0 1000.00 -999 ? >MET~A 207 36.71 -20.84 18.04 37.15 -18.53 20.25 36.93 -19.69 19.15 2 0 1000.00 -999 ? >ARG~A 208 39.57 -22.81 13.62 42.43 -23.91 13.23 41.00 -23.36 13.43 2 0 1000.00 -999 ? >GLY.A 209 33.00 -22.63 14.99 33.69 -22.12 14.61 33.35 -22.37 14.80 1 0 1000.00 -999 ? >ALA.A 210 34.03 -19.49 13.19 34.54 -20.10 11.88 34.29 -19.79 12.53 2 0 1000.00 -999 ? >ARG.A 211 28.31 -18.33 11.81 25.94 -19.04 9.98 27.12 -18.68 10.90 2 0 1000.00 -999 ? >GLU^A 212 31.01 -11.91 16.11 29.61 -10.37 15.72 30.31 -11.14 15.91 2 0 1000.00 -999 ? >ALA^A 213 33.34 -14.76 18.94 34.63 -15.56 19.04 33.98 -15.16 18.99 2 0 1000.00 -999 ? >ALA^A 214 33.01 -12.42 21.91 31.65 -12.10 22.49 32.33 -12.26 22.20 2 0 1000.00 -999 ? >ILE^A 215 37.44 -11.89 23.72 38.11 -13.27 23.54 37.78 -12.58 23.63 3 0 1000.00 -999 ? >LEU^A 216 33.94 -11.23 28.39 32.02 -11.44 27.43 32.98 -11.34 27.91 3 0 1000.00 -999 ? >PHE.A 217 39.24 -8.59 27.99 40.42 -9.71 25.68 39.83 -9.15 26.83 3 0 1000.00 -999 ? >GLY.A 218 36.92 -7.64 33.43 37.76 -7.61 33.10 37.34 -7.62 33.26 1 0 1000.00 -999 ? >GLY.A 219 39.16 -5.52 35.62 39.05 -6.35 35.72 39.10 -5.94 35.67 1 0 1000.00 -999 ? >PRO.A 220 43.26 -4.87 36.52 41.76 -6.40 37.13 42.51 -5.63 36.82 3 0 1000.00 -999 ? >TYR.A 221 39.47 -4.01 40.05 38.75 -2.39 37.88 39.11 -3.20 38.96 3 0 1000.00 -999 ? >LYS.A 222 36.54 -7.39 40.07 33.06 -2.57 40.40 34.80 -4.98 40.24 2 0 1000.00 -999 ? >GLY.A 223 35.88 -10.43 37.93 35.31 -9.84 38.14 35.60 -10.13 38.04 1 0 1000.00 -999 ? >LEU.A 224 33.11 -11.63 34.17 35.02 -11.08 33.35 34.06 -11.36 33.76 3 0 1000.00 -999 ? >PRO.A 225 29.36 -8.64 35.43 30.02 -10.67 36.09 29.69 -9.65 35.76 3 0 1000.00 -999 ? >GLU.A 226 26.73 -14.40 39.06 27.74 -16.21 39.49 27.24 -15.30 39.27 2 0 1000.00 -999 ? >ILE.A 227 28.01 -13.27 31.95 29.12 -12.38 31.78 28.57 -12.83 31.87 3 0 1000.00 -999 ? >ASP.A 228 25.15 -16.94 29.48 24.70 -18.84 28.67 24.92 -17.89 29.07 2 0 1000.00 -999 ? >ALA.A 229 29.78 -17.79 28.43 31.03 -17.20 29.07 30.40 -17.49 28.75 2 0 1000.00 -999 ? >ASP.A 230 30.73 -20.74 24.71 29.01 -20.13 23.71 29.87 -20.44 24.21 2 0 1000.00 -999 ? >ILE^A 231 35.06 -21.00 26.69 35.88 -21.67 25.80 35.47 -21.34 26.25 3 0 1000.00 -999 ? >TRP^A 232 32.71 -19.60 31.94 32.68 -16.09 33.75 32.69 -17.84 32.85 3 0 1000.00 -999 ? >VAL^A 233 39.74 -19.34 30.64 39.92 -19.85 28.52 39.83 -19.59 29.58 3 0 1000.00 -999 ? >ASN.A 234 43.45 -18.18 33.42 45.06 -16.94 34.08 44.25 -17.56 33.75 2 0 1000.00 -999 ? >THR.A 235 44.68 -16.72 29.00 43.50 -15.23 27.97 44.09 -15.98 28.49 2 0 1000.00 -999 ? >LEU.A 236 47.64 -14.05 31.52 47.36 -12.18 30.47 47.50 -13.11 30.99 3 0 1000.00 -999 ? >PRO.A 237 48.73 -19.70 31.38 48.26 -18.12 32.88 48.50 -18.91 32.13 3 0 1000.00 -999 ? >GLY.A 238 51.20 -18.17 36.00 50.83 -17.56 35.66 51.02 -17.86 35.83 1 0 1000.00 -999 ? >GLN.A 239 49.33 -13.39 37.21 47.59 -12.14 37.12 48.46 -12.77 37.17 2 0 1000.00 -999 ? >CYH.A 240 54.10 -13.10 38.20 56.07 -14.86 37.25 55.08 -13.98 37.72 2 0 1000.00 -999 ? >THR.A 241 52.51 -9.80 39.15 52.60 -8.77 37.24 52.56 -9.28 38.19 2 0 1000.00 -999 ? >GLU.A 242 49.14 -7.36 42.76 48.56 -6.55 44.64 48.85 -6.95 43.70 2 0 1000.00 -999 ? >THR.A 243 47.71 -7.71 38.75 47.04 -5.65 38.51 47.37 -6.68 38.63 2 0 1000.00 -999 ? >VAL.A 244 47.23 -7.68 34.99 47.41 -9.42 33.70 47.32 -8.55 34.34 3 0 1000.00 -999 ? >ARG~A 245 47.34 -2.80 35.60 48.47 0.01 36.09 47.91 -1.40 35.84 2 0 1000.00 -999 ? >THR~A 246 42.94 -4.68 31.02 40.83 -4.35 31.12 41.88 -4.51 31.07 2 0 1000.00 -999 ? >GLU~A 247 45.27 -0.67 28.92 45.71 -0.97 30.97 45.49 -0.82 29.95 2 0 1000.00 -999 ? >GLU~A 248 49.35 -4.89 30.48 49.92 -4.82 32.54 49.63 -4.86 31.51 2 0 1000.00 -999 ? >ALA~A 249 45.08 -8.65 29.10 44.00 -8.85 30.15 44.54 -8.75 29.63 2 0 1000.00 -999 ? >VAL~A 250 43.49 -7.56 25.83 42.06 -6.02 25.24 42.77 -6.79 25.53 3 0 1000.00 -999 ? >LEU~A 251 47.89 -6.75 24.08 49.46 -6.36 22.67 48.67 -6.56 23.38 3 0 1000.00 -999 ? >ALA~A 252 47.98 -10.86 25.66 48.26 -11.03 27.19 48.12 -10.94 26.43 2 0 1000.00 -999 ? >THR~A 253 44.67 -12.63 24.96 42.83 -12.84 26.15 43.75 -12.73 25.55 2 0 1000.00 -999 ? >LEU~A 254 44.18 -9.98 20.86 42.19 -9.11 20.68 43.19 -9.55 20.77 3 0 1000.00 -999 ? >SER~A 255 47.69 -12.77 20.63 50.02 -13.15 20.94 48.86 -12.96 20.79 2 0 1000.00 -999 ? >VAL~A 256 47.08 -16.18 22.13 47.05 -17.21 24.04 47.06 -16.69 23.09 3 0 1000.00 -999 ? >PHE~A 257 41.71 -16.27 21.50 40.18 -17.39 23.52 40.94 -16.83 22.51 3 0 1000.00 -999 ? >ASN~A 258 46.24 -14.02 16.84 46.95 -13.74 14.87 46.60 -13.88 15.86 2 0 1000.00 -999 ? >MET~A 259 47.45 -18.31 16.97 49.88 -20.25 19.46 48.66 -19.28 18.21 2 0 1000.00 -999 ? >LEU~A 260 43.71 -20.73 18.99 44.35 -21.03 21.01 44.03 -20.88 20.00 3 0 1000.00 -999 ? >THR~A 261 42.55 -19.49 14.85 40.89 -18.12 14.90 41.72 -18.81 14.87 2 0 1000.00 -999 ? >GLN.A 262 45.48 -21.65 10.06 44.47 -22.43 8.34 44.98 -22.04 9.20 2 0 1000.00 -999 ? >MET.B 1 55.94 -20.85 32.40 56.29 -17.71 32.76 56.11 -19.28 32.58 2 0 1000.00 -999 ? >ASN.B 2 58.32 -22.53 35.80 59.58 -22.26 37.51 58.95 -22.39 36.65 2 0 1000.00 -999 ? >ARG.B 3 60.94 -25.28 36.93 59.39 -27.92 36.88 60.16 -26.60 36.91 2 0 1000.00 -999 ? >VAL.B 4 62.91 -22.00 31.21 61.83 -22.64 29.43 62.37 -22.32 30.32 3 0 1000.00 -999 ? >ASP^B 5 66.11 -18.65 32.68 66.02 -19.08 34.75 66.06 -18.87 33.72 2 0 1000.00 -999 ? >LEU^B 6 62.46 -15.71 29.28 61.11 -16.90 28.06 61.79 -16.31 28.67 3 0 1000.00 -999 ? >SER^B 7 66.02 -13.10 28.49 67.97 -14.03 27.37 67.00 -13.56 27.93 2 0 1000.00 -999 ? >LEU^B 8 63.36 -10.17 25.96 62.00 -9.58 27.45 62.68 -9.88 26.71 3 0 1000.00 -999 ? >PHE^B 9 68.66 -9.99 23.20 70.61 -11.60 24.34 69.63 -10.80 23.77 3 0 1000.00 -999 ? >ILE^B 10 64.21 -4.53 23.80 63.69 -4.50 25.14 63.95 -4.51 24.47 3 0 1000.00 -999 ? >PRO^B 11 64.67 -2.29 19.29 66.19 -2.78 20.88 65.43 -2.53 20.08 3 0 1000.00 -999 ? >ASP.B 12 69.26 1.32 22.40 70.34 1.87 20.66 69.80 1.60 21.53 2 0 1000.00 -999 ? >SER.B 13 65.74 2.70 19.48 65.41 1.11 17.68 65.57 1.91 18.58 2 0 1000.00 -999 ? >LEU.B 14 62.02 0.59 21.83 61.76 0.37 23.93 61.89 0.48 22.88 3 0 1000.00 -999 ? >THR.B 15 61.46 5.20 22.26 62.55 5.35 24.13 62.00 5.27 23.20 2 0 1000.00 -999 ? >ALA.B 16 62.90 6.99 19.22 63.77 6.31 18.16 63.34 6.65 18.69 2 0 1000.00 -999 ? >GLU.B 17 58.47 5.82 17.16 57.76 5.89 19.15 58.12 5.85 18.16 2 0 1000.00 -999 ? >THR.B 18 58.03 9.78 20.54 57.68 8.17 21.94 57.86 8.98 21.24 2 0 1000.00 -999 ? >GLY.B 19 58.82 13.35 21.46 58.31 12.82 21.90 58.56 13.08 21.68 1 0 1000.00 -999 ? >ASP~B 20 55.15 12.96 24.64 54.29 13.66 26.41 54.72 13.31 25.53 2 0 1000.00 -999 ? >LEU~B 21 59.54 13.40 28.35 61.15 12.83 29.67 60.34 13.11 29.01 3 0 1000.00 -999 ? >LYS~B 22 55.87 11.24 29.73 51.91 14.27 32.83 53.89 12.75 31.28 2 0 1000.00 -999 ? >ILE~B 23 54.15 9.21 25.63 52.79 8.68 25.69 53.47 8.95 25.66 3 0 1000.00 -999 ? >LYS~B 24 58.28 7.93 26.41 62.47 11.14 24.07 60.38 9.53 25.24 2 0 1000.00 -999 ? >THR~B 25 58.85 6.88 29.98 58.58 8.38 31.51 58.71 7.63 30.75 2 0 1000.00 -999 ? >TYR~B 26 52.97 4.92 30.19 50.86 3.30 30.92 51.91 4.11 30.56 3 0 1000.00 -999 ? >LYS~B 27 56.37 3.12 26.97 56.20 5.62 23.71 56.28 4.37 25.34 2 0 1000.00 -999 ? >VAL~B 28 59.52 1.74 28.66 61.60 2.40 28.84 60.56 2.07 28.75 3 0 1000.00 -999 ? >VAL~B 29 57.37 1.04 31.73 55.65 1.85 32.81 56.51 1.44 32.27 3 0 1000.00 -999 ? >LEU~B 30 54.41 -0.79 28.26 52.56 0.34 28.05 53.49 -0.23 28.15 3 0 1000.00 -999 ? >ILE~B 31 59.44 -2.84 28.00 60.41 -3.10 26.93 59.93 -2.97 27.47 3 0 1000.00 -999 ? >ALA~B 32 58.90 -3.45 32.44 59.08 -2.26 33.35 58.99 -2.86 32.89 2 0 1000.00 -999 ? >ARG~B 33 52.98 -2.98 34.90 51.00 -5.03 36.05 51.99 -4.00 35.48 2 0 1000.00 -999 ? >ALA~B 34 55.35 -7.33 30.21 55.51 -7.06 28.74 55.43 -7.20 29.48 2 0 1000.00 -999 ? >ALA~B 35 58.69 -8.65 31.45 59.98 -7.80 31.65 59.33 -8.22 31.55 2 0 1000.00 -999 ? >SER~B 36 57.49 -9.05 35.04 58.33 -7.03 36.02 57.91 -8.04 35.53 2 0 1000.00 -999 ? >ILE~B 37 53.14 -9.95 33.03 51.84 -9.54 32.60 52.49 -9.74 32.82 3 0 1000.00 -999 ? >PHE~B 38 54.62 -13.15 30.17 52.10 -12.82 29.06 53.36 -12.99 29.61 3 0 1000.00 -999 ? >GLY.B 39 58.70 -13.77 34.79 58.77 -13.49 34.06 58.73 -13.63 34.42 1 0 1000.00 -999 ? >VAL.B 40 61.48 -12.64 32.47 61.62 -11.56 30.61 61.55 -12.10 31.54 3 0 1000.00 -999 ? >LYS.B 41 64.93 -13.04 34.05 62.79 -16.76 37.10 63.86 -14.90 35.58 2 0 1000.00 -999 ? >ARG^B 42 70.14 -11.90 31.90 70.43 -14.55 30.36 70.29 -13.22 31.13 2 0 1000.00 -999 ? >ILE^B 43 65.38 -6.35 30.08 64.07 -5.74 30.12 64.73 -6.05 30.10 3 0 1000.00 -999 ? >VAL^B 44 69.27 -6.88 27.29 70.65 -8.48 26.65 69.96 -7.68 26.97 3 0 1000.00 -999 ? >ILE^B 45 69.27 -2.13 26.41 68.64 -1.03 27.01 68.96 -1.58 26.71 3 0 1000.00 -999 ? >TYR^B 46 70.13 -4.99 20.52 67.89 -5.34 18.84 69.01 -5.16 19.68 3 0 1000.00 -999 ? >HIS.B 47 74.34 0.59 18.95 74.68 1.94 17.38 74.51 1.26 18.17 3 0 1000.00 -999 ? >ASP.B 48 69.81 -1.37 16.34 68.10 -0.15 16.43 68.96 -0.76 16.39 2 0 1000.00 -999 ? >ASP.B 49 68.60 3.27 14.64 67.23 2.10 13.52 67.91 2.68 14.08 2 0 1000.00 -999 ? >ALA.B 50 71.82 6.06 14.43 71.24 7.29 13.70 71.53 6.67 14.06 2 0 1000.00 -999 ? >ASP.B 51 70.69 8.93 18.13 71.69 10.48 17.13 71.19 9.70 17.63 2 0 1000.00 -999 ? >GLY.B 52 69.49 5.96 20.73 69.77 6.71 21.00 69.63 6.34 20.86 1 0 1000.00 -999 ? >GLU~B 53 66.91 8.09 23.56 64.97 8.94 23.61 65.94 8.52 23.58 2 0 1000.00 -999 ? >ALA~B 54 69.99 3.07 25.80 71.31 2.49 25.35 70.65 2.78 25.58 2 0 1000.00 -999 ? >ARG~B 55 71.41 8.31 30.38 71.51 10.66 28.39 71.46 9.48 29.39 2 0 1000.00 -999 ? >PHE~B 56 64.94 7.53 28.82 62.35 8.08 29.75 63.65 7.80 29.28 3 0 1000.00 -999 ? >ILE~B 57 65.95 2.06 27.28 65.51 1.57 26.01 65.73 1.82 26.65 3 0 1000.00 -999 ? >ARG~B 58 71.86 0.56 32.16 72.64 3.35 33.18 72.25 1.96 32.67 2 0 1000.00 -999 ? >ASP~B 59 67.43 5.39 33.73 69.50 5.92 34.03 68.46 5.65 33.88 2 0 1000.00 -999 ? >ILE~B 60 62.44 3.77 32.41 61.60 4.81 32.97 62.02 4.29 32.69 3 0 1000.00 -999 ? >LEU~B 61 64.20 -1.29 32.52 63.40 -1.93 30.61 63.80 -1.61 31.57 3 0 1000.00 -999 ? >THR~B 62 65.85 -0.44 36.58 67.96 -0.41 36.95 66.90 -0.42 36.77 2 0 1000.00 -999 ? >TYR~B 63 62.55 4.35 38.77 60.99 5.68 40.69 61.77 5.01 39.73 3 0 1000.00 -999 ? >MET~B 64 60.94 -0.14 38.17 58.59 0.58 34.91 59.76 0.22 36.54 2 0 1000.00 -999 ? >ASP~B 65 63.84 -3.94 38.27 64.45 -5.85 38.94 64.15 -4.89 38.61 2 0 1000.00 -999 ? >THR~B 66 64.26 -1.54 42.10 65.88 -0.14 42.20 65.07 -0.84 42.15 2 0 1000.00 -999 ? >PRO~B 67 63.31 -3.59 45.82 62.57 -1.81 44.73 62.94 -2.70 45.27 3 0 1000.00 -999 ? >GLN~B 68 58.18 1.25 47.23 57.67 -0.75 46.67 57.92 0.25 46.95 2 0 1000.00 -999 ? >TYR~B 69 62.34 -0.68 50.49 63.27 -3.35 50.23 62.81 -2.01 50.36 3 0 1000.00 -999 ? >LEU~B 70 65.98 1.01 47.02 66.87 -0.59 48.17 66.43 0.21 47.60 3 0 1000.00 -999 ? >ARG~B 71 61.43 3.18 42.83 59.06 1.48 41.92 60.25 2.33 42.38 2 0 1000.00 -999 ? >ARG~B 72 65.57 8.88 49.49 67.47 10.33 51.45 66.52 9.60 50.47 2 0 1000.00 -999 ? >LYS~B 73 68.53 6.67 47.43 67.30 4.89 53.43 67.91 5.78 50.43 2 0 1000.00 -999 ? >VAL~B 74 69.64 4.75 44.32 69.61 2.58 44.05 69.63 3.66 44.19 3 0 1000.00 -999 ? >PHE~B 75 67.14 5.71 40.32 67.06 3.24 39.00 67.10 4.48 39.66 3 0 1000.00 -999 ? >PRO.B 76 71.84 9.93 40.86 69.73 10.24 41.47 70.79 10.08 41.17 3 0 1000.00 -999 ? >ILE.B 77 67.28 15.15 41.11 67.59 16.56 41.14 67.43 15.86 41.13 3 0 1000.00 -999 ? >MET~B 78 67.57 13.10 36.79 69.61 9.47 36.48 68.59 11.28 36.64 2 0 1000.00 -999 ? >ARG~B 79 68.30 18.08 33.92 71.21 18.89 34.40 69.75 18.48 34.16 2 0 1000.00 -999 ? >GLU~B 80 66.93 10.91 32.93 68.22 9.32 32.35 67.58 10.12 32.64 2 0 1000.00 -999 ? >LEU~B 81 63.74 9.59 35.47 65.02 9.36 37.19 64.38 9.48 36.33 3 0 1000.00 -999 ? >LYS~B 82 60.80 13.56 35.94 58.69 18.58 33.59 59.75 16.07 34.76 2 0 1000.00 -999 ? >HIS~B 83 57.06 12.98 32.98 57.10 14.85 32.04 57.08 13.91 32.51 3 0 1000.00 -999 ? >VAL~B 84 58.60 8.49 36.95 60.06 7.70 38.36 59.33 8.09 37.66 3 0 1000.00 -999 ? >GLY~B 85 55.51 9.31 38.97 55.53 8.99 38.24 55.52 9.15 38.60 1 0 1000.00 -999 ? >ILE~B 86 52.57 8.81 35.13 53.09 9.04 34.52 52.83 8.93 34.83 3 0 1000.00 -999 ? >LEU~B 87 56.36 4.27 36.17 58.03 4.69 34.89 57.19 4.48 35.53 3 0 1000.00 -999 ? >PRO.B 88 53.09 1.04 34.28 52.94 2.27 36.12 53.01 1.65 35.20 3 0 1000.00 -999 ? >PRO.B 89 50.53 -0.07 39.73 52.64 0.30 39.15 51.58 0.11 39.44 3 0 1000.00 -999 ? >LEU.B 90 56.06 -3.37 39.19 56.79 -4.59 37.59 56.43 -3.98 38.39 3 0 1000.00 -999 ? >ARG.B 91 50.81 -3.83 42.27 48.36 -2.26 41.32 49.58 -3.05 41.79 2 0 1000.00 -999 ? >THR.B 92 56.09 -8.46 42.48 57.39 -7.56 41.01 56.74 -8.01 41.75 2 0 1000.00 -999 ? >PRO.B 93 56.87 -12.52 43.77 57.23 -10.48 44.61 57.05 -11.50 44.19 3 0 1000.00 -999 ? >HIS.B 94 61.60 -7.99 43.20 61.28 -7.28 41.25 61.44 -7.63 42.23 3 0 1000.00 -999 ? >HIS.B 95 58.67 -4.33 43.58 59.83 -3.53 42.03 59.25 -3.93 42.80 3 0 1000.00 -999 ? >PRO.B 96 58.90 -7.53 49.57 57.58 -5.88 48.86 58.24 -6.70 49.21 3 0 1000.00 -999 ? >THR.B 97 55.59 -2.81 50.99 53.89 -2.56 49.69 54.74 -2.68 50.34 2 0 1000.00 -999 ? >GLY.B 98 54.74 -4.25 54.38 55.50 -4.28 54.05 55.12 -4.27 54.22 1 0 1000.00 -999 ? >LYS.B 99 57.38 -3.87 57.12 58.00 0.80 59.51 57.69 -1.53 58.31 2 0 1000.00 -999 ? >PRO.B 100 61.48 -4.76 58.04 59.76 -5.95 57.26 60.62 -5.36 57.65 3 0 1000.00 -999 ? >VAL.B 101 59.15 -9.90 58.85 57.28 -10.33 57.83 58.21 -10.11 58.34 3 0 1000.00 -999 ? >THR.B 102 60.87 -13.18 59.76 61.15 -14.06 61.72 61.01 -13.62 60.74 2 0 1000.00 -999 ? >GLY.B 103 61.85 -15.58 56.96 61.64 -14.85 56.82 61.74 -15.22 56.89 1 0 1000.00 -999 ? >GLU.B 104 59.44 -11.06 53.45 59.36 -9.09 54.20 59.40 -10.07 53.83 2 0 1000.00 -999 ? >TYR^B 105 63.51 -14.46 50.35 64.16 -17.16 50.71 63.83 -15.81 50.53 3 0 1000.00 -999 ? >ARG^B 106 62.41 -6.80 53.76 59.75 -5.26 53.54 61.08 -6.03 53.65 2 0 1000.00 -999 ? >GLN^B 107 65.89 -7.59 45.83 65.93 -6.81 43.83 65.91 -7.20 44.83 2 0 1000.00 -999 ? >GLY^B 108 68.83 -4.68 50.12 69.15 -4.84 49.43 68.99 -4.76 49.78 1 0 1000.00 -999 ? >LEU^B 109 70.67 -0.38 49.03 72.04 1.13 48.33 71.35 0.38 48.68 3 0 1000.00 -999 ? >THR^B 110 74.53 -2.03 51.02 76.14 -3.43 50.94 75.33 -2.73 50.98 2 0 1000.00 -999 ? >VAL^B 111 75.40 1.20 52.85 73.93 2.44 53.86 74.67 1.82 53.36 3 0 1000.00 -999 ? >LYS^B 112 78.55 0.92 54.95 76.63 5.47 58.22 77.59 3.19 56.58 2 0 1000.00 -999 ? >ARG^B 113 83.76 -2.29 53.21 84.61 -5.19 52.70 84.18 -3.74 52.96 2 0 1000.00 -999 ? >VAL.B 114 80.70 -1.74 59.75 79.13 -1.74 61.29 79.91 -1.74 60.52 3 0 1000.00 -999 ? >LYS.B 115 82.92 -2.98 62.56 83.28 1.67 66.05 83.10 -0.66 64.31 2 0 1000.00 -999 ? >LYS.B 116 80.83 -6.13 63.03 76.09 -6.24 66.43 78.46 -6.19 64.73 2 0 1000.00 -999 ? >GLY.B 117 80.12 -6.51 59.31 79.98 -5.72 59.50 80.05 -6.12 59.40 1 0 1000.00 -999 ? >THR^B 118 77.88 -4.47 57.00 78.66 -4.57 54.98 78.27 -4.52 55.99 2 0 1000.00 -999 ? >LEU^B 119 74.65 -1.11 58.06 75.41 -0.67 60.03 75.03 -0.89 59.05 3 0 1000.00 -999 ? >VAL^B 120 72.16 -3.03 54.52 72.35 -5.19 54.26 72.25 -4.11 54.39 3 0 1000.00 -999 ? >ASP^B 121 68.96 0.30 53.01 67.07 1.30 53.19 68.02 0.80 53.10 2 0 1000.00 -999 ? >ILE.B 122 66.06 -4.59 54.93 65.80 -5.28 54.68 65.93 -4.94 54.80 3 0 1000.00 -999 ? >GLY.B 123 62.40 -2.77 54.08 63.00 -2.41 54.45 62.70 -2.59 54.26 1 0 1000.00 -999 ? >ALA.B 124 61.55 -0.21 56.77 60.61 -0.50 57.93 61.08 -0.35 57.35 2 0 1000.00 -999 ? >ASP.B 125 64.23 0.63 60.65 62.32 1.17 61.34 63.27 0.90 60.99 2 0 1000.00 -999 ? >LYS^B 126 68.07 0.11 59.05 72.92 1.16 57.36 70.50 0.63 58.21 2 0 1000.00 -999 ? >LEU^B 127 68.61 -4.49 59.39 67.98 -5.02 57.40 68.29 -4.76 58.40 3 0 1000.00 -999 ? >ALA^B 128 72.68 -5.41 59.01 73.76 -4.89 59.96 73.22 -5.15 59.49 2 0 1000.00 -999 ? >LEU^B 129 74.26 -8.84 56.24 74.82 -10.59 55.09 74.54 -9.72 55.67 3 0 1000.00 -999 ? >CYH.B 130 77.45 -10.24 59.05 78.26 -12.89 58.34 77.85 -11.56 58.69 2 0 1000.00 -999 ? >ARG.B 131 79.70 -13.26 54.43 77.76 -15.64 54.63 78.73 -14.45 54.53 2 0 1000.00 -999 ? >GLU.B 132 84.48 -8.59 55.95 83.86 -10.62 56.11 84.17 -9.60 56.03 2 0 1000.00 -999 ? >LYS.B 133 83.52 -8.11 51.97 88.83 -9.92 51.91 86.18 -9.01 51.94 2 0 1000.00 -999 ? >LEU.B 134 78.87 -6.89 51.98 77.44 -8.43 52.43 78.15 -7.66 52.20 3 0 1000.00 -999 ? >THR.B 135 80.91 -4.19 48.62 81.82 -4.14 46.65 81.37 -4.17 47.64 2 0 1000.00 -999 ? >VAL.B 136 79.09 -1.01 49.64 80.50 0.41 50.49 79.80 -0.30 50.06 3 0 1000.00 -999 ? >ASN.B 137 77.42 2.03 46.94 76.24 3.50 45.93 76.83 2.76 46.44 2 0 1000.00 -999 ? >ARG.B 138 78.73 -3.36 44.25 81.38 -3.18 42.69 80.06 -3.27 43.47 2 0 1000.00 -999 ? >ILE^B 139 70.76 -3.65 44.83 69.40 -3.03 44.74 70.08 -3.34 44.78 3 0 1000.00 -999 ? >MET^B 140 71.66 -7.76 46.58 75.31 -8.58 48.48 73.48 -8.17 47.53 2 0 1000.00 -999 ? >SER^B 141 69.16 -10.13 48.14 69.27 -12.30 47.13 69.21 -11.21 47.64 2 0 1000.00 -999 ? >PHE^B 142 70.32 -9.32 52.25 72.18 -7.36 51.49 71.25 -8.34 51.87 3 0 1000.00 -999 ? >ARG^B 143 67.02 -17.00 53.84 64.53 -16.96 55.66 65.77 -16.98 54.75 2 0 1000.00 -999 ? >VAL^B 144 65.24 -11.83 57.20 63.84 -10.31 57.92 64.54 -11.07 57.56 3 0 1000.00 -999 ? >VAL^B 145 66.29 -14.27 59.92 68.06 -15.55 59.87 67.17 -14.91 59.89 3 0 1000.00 -999 ? >ARG^B 146 67.40 -14.65 65.55 68.41 -17.16 66.99 67.91 -15.91 66.27 2 0 1000.00 -999 ? >LEU.B 147 62.11 -9.01 63.68 60.88 -9.45 61.96 61.50 -9.23 62.82 3 0 1000.00 -999 ? >GLY.B 148 63.87 -6.47 66.50 63.96 -6.16 65.77 63.92 -6.31 66.14 1 0 1000.00 -999 ? >LYS.B 149 66.16 -3.43 66.72 66.98 -0.31 71.53 66.57 -1.87 69.12 2 0 1000.00 -999 ? >GLU.B 150 71.63 -5.88 65.02 72.11 -4.93 63.19 71.87 -5.40 64.10 2 0 1000.00 -999 ? >ILE.B 151 66.21 -6.74 61.61 65.64 -6.34 60.38 65.92 -6.54 61.00 3 0 1000.00 -999 ? >LEU^B 152 70.57 -10.55 61.92 70.25 -12.55 62.70 70.41 -11.55 62.31 3 0 1000.00 -999 ? >ILE^B 153 69.07 -9.86 56.43 68.67 -8.50 56.09 68.87 -9.18 56.26 3 0 1000.00 -999 ? >GLU^B 154 72.99 -15.58 55.30 72.77 -17.68 55.18 72.88 -16.63 55.24 2 0 1000.00 -999 ? >PRO^B 155 74.70 -13.34 52.32 72.50 -13.04 52.46 73.60 -13.19 52.39 3 0 1000.00 -999 ? >ASP.B 156 69.60 -16.25 50.85 68.44 -17.85 50.07 69.02 -17.05 50.46 2 0 1000.00 -999 ? >GLU.B 157 69.23 -14.61 45.09 69.77 -13.60 43.32 69.50 -14.10 44.20 2 0 1000.00 -999 ? >PRO.B 158 63.18 -15.38 46.55 65.01 -16.63 46.67 64.09 -16.01 46.61 3 0 1000.00 -999 ? >GLU.B 159 65.74 -21.31 44.61 66.92 -20.20 45.97 66.33 -20.76 45.29 2 0 1000.00 -999 ? >ASP.B 160 60.27 -20.99 45.69 60.46 -19.39 47.06 60.37 -20.19 46.37 2 0 1000.00 -999 ? >ARG.B 161 59.47 -14.97 46.56 58.98 -15.26 49.58 59.22 -15.12 48.07 2 0 1000.00 -999 ? >TYR.B 162 59.26 -12.86 38.84 60.35 -11.00 37.05 59.80 -11.93 37.95 3 0 1000.00 -999 ? >TRP.B 163 65.46 -11.63 43.76 62.98 -11.00 46.75 64.22 -11.31 45.26 3 0 1000.00 -999 ? >GLY.B 164 62.43 -9.43 39.12 62.73 -10.16 39.01 62.58 -9.80 39.06 1 0 1000.00 -999 ? >TYR.B 165 63.61 -7.30 34.88 62.44 -4.75 34.92 63.03 -6.03 34.90 3 0 1000.00 -999 ? >GLU^B 166 70.14 -9.30 34.83 72.26 -9.37 34.78 71.20 -9.33 34.81 2 0 1000.00 -999 ? >VAL^B 167 68.93 -4.98 33.00 67.89 -3.09 32.87 68.41 -4.03 32.94 3 0 1000.00 -999 ? >LEU^B 168 72.17 -6.94 30.15 73.90 -8.06 30.84 73.04 -7.50 30.49 3 0 1000.00 -999 ? >ASP.B 169 73.10 -1.09 29.48 73.08 0.49 28.10 73.09 -0.30 28.79 2 0 1000.00 -999 ? >THR.B 170 75.50 -4.10 26.38 74.55 -5.68 25.19 75.02 -4.89 25.78 2 0 1000.00 -999 ? >ARG.B 171 75.61 1.71 25.39 75.36 3.89 27.56 75.48 2.80 26.48 2 0 1000.00 -999 ? >ARG.B 172 79.21 -4.24 23.94 81.57 -2.26 23.78 80.39 -3.25 23.86 2 0 1000.00 -999 ? >ASN~B 173 75.27 -4.38 17.26 76.74 -5.72 16.52 76.01 -5.05 16.89 2 0 1000.00 -999 ? >LEU~B 174 71.81 -7.70 16.97 70.27 -9.17 17.36 71.04 -8.44 17.17 3 0 1000.00 -999 ? >ALA~B 175 75.34 -10.09 17.27 76.09 -10.07 15.94 75.71 -10.08 16.61 2 0 1000.00 -999 ? >GLU~B 176 80.00 -7.34 20.41 81.33 -8.98 20.15 80.66 -8.16 20.28 2 0 1000.00 -999 ? >SER~B 177 75.30 -8.71 22.37 74.39 -6.47 22.30 74.84 -7.59 22.34 2 0 1000.00 -999 ? >LEU~B 178 74.10 -13.11 20.62 72.00 -12.74 20.44 73.05 -12.93 20.53 3 0 1000.00 -999 ? >LYS~B 179 78.11 -13.20 22.57 83.21 -10.71 24.01 80.66 -11.95 23.29 2 0 1000.00 -999 ? >THR~B 180 78.20 -11.11 25.77 78.28 -8.96 26.06 78.24 -10.04 25.91 2 0 1000.00 -999 ? >VAL~B 181 75.27 -13.00 27.25 73.30 -12.21 27.80 74.28 -12.60 27.53 3 0 1000.00 -999 ? >GLY.B 182 74.68 -16.61 26.28 74.32 -16.36 26.92 74.50 -16.48 26.60 1 0 1000.00 -999 ? >ALA.B 183 71.64 -18.83 26.40 70.36 -18.08 26.05 71.00 -18.46 26.22 2 0 1000.00 -999 ? >ASP.B 184 71.32 -23.62 25.70 69.51 -23.85 26.74 70.42 -23.74 26.22 2 0 1000.00 -999 ? >VAL^B 185 68.45 -21.22 22.81 66.80 -22.63 22.83 67.63 -21.92 22.82 3 0 1000.00 -999 ? >VAL^B 186 68.08 -18.13 20.66 69.77 -16.91 19.99 68.93 -17.52 20.32 3 0 1000.00 -999 ? >VAL^B 187 64.59 -17.33 19.29 62.68 -18.17 19.96 63.63 -17.75 19.62 3 0 1000.00 -999 ? >ALA^B 188 64.45 -14.55 16.65 65.48 -14.54 15.52 64.96 -14.55 16.09 2 0 1000.00 -999 ? >THR^B 189 61.08 -12.95 15.88 60.48 -12.13 17.75 60.78 -12.54 16.81 2 0 1000.00 -999 ? >SER.B 190 60.10 -11.56 12.49 61.22 -11.35 10.33 60.66 -11.46 11.41 2 0 1000.00 -999 ? >ARG.B 191 57.98 -7.87 10.70 57.35 -6.36 8.09 57.67 -7.11 9.39 2 0 1000.00 -999 ? >ASN.B 192 60.61 -11.97 6.98 60.68 -9.86 7.16 60.64 -10.92 7.07 2 0 1000.00 -999 ? >ALA.B 193 59.83 -15.76 9.32 60.37 -15.81 10.75 60.10 -15.78 10.03 2 0 1000.00 -999 ? >SER.B 194 57.69 -18.87 9.38 57.26 -21.23 9.67 57.47 -20.05 9.52 2 0 1000.00 -999 ? >PRO.B 195 53.40 -19.25 9.65 55.02 -18.57 11.01 54.21 -18.91 10.33 3 0 1000.00 -999 ? >ILE.B 196 54.28 -19.19 16.40 54.29 -19.56 17.14 54.28 -19.37 16.77 3 0 1000.00 -999 ? >THR.B 197 51.52 -21.76 13.99 50.07 -20.24 13.43 50.79 -21.00 13.71 2 0 1000.00 -999 ? >SER.B 198 53.57 -23.86 11.55 53.27 -22.49 9.58 53.42 -23.17 10.57 2 0 1000.00 -999 ? >ILE~B 199 58.04 -24.07 13.22 58.76 -22.86 12.74 58.40 -23.47 12.98 3 0 1000.00 -999 ? >LEU~B 200 53.19 -24.93 16.69 51.88 -25.01 18.42 52.53 -24.97 17.56 3 0 1000.00 -999 ? >ASP~B 201 55.17 -29.72 17.37 55.02 -31.18 18.90 55.09 -30.45 18.14 2 0 1000.00 -999 ? >GLU~B 202 61.07 -26.81 15.58 61.63 -26.20 13.64 61.35 -26.50 14.61 2 0 1000.00 -999 ? >VAL~B 203 59.32 -24.46 18.91 58.70 -22.42 18.30 59.01 -23.44 18.60 3 0 1000.00 -999 ? >LYS~B 204 57.55 -26.07 21.89 52.06 -27.55 21.41 54.80 -26.81 21.65 2 0 1000.00 -999 ? >THR~B 205 60.07 -28.92 21.99 60.46 -30.75 20.92 60.27 -29.83 21.45 2 0 1000.00 -999 ? >ARG~B 206 65.77 -26.33 20.14 67.81 -25.95 22.39 66.79 -26.14 21.26 2 0 1000.00 -999 ? >MET~B 207 61.46 -24.22 24.40 61.55 -21.23 23.34 61.51 -22.72 23.87 2 0 1000.00 -999 ? >ARG~B 208 57.07 -28.42 26.91 54.04 -28.90 26.96 55.55 -28.66 26.93 2 0 1000.00 -999 ? >GLY~B 209 64.03 -28.50 26.56 63.82 -27.62 26.53 63.93 -28.06 26.55 1 0 1000.00 -999 ? >ALA.B 210 65.19 -25.12 27.76 64.27 -23.92 27.73 64.73 -24.52 27.74 2 0 1000.00 -999 ? >ARG.B 211 70.70 -23.80 31.66 72.26 -22.89 34.10 71.48 -23.35 32.88 2 0 1000.00 -999 ? >GLU^B 212 69.56 -19.93 31.17 71.02 -18.62 31.96 70.29 -19.27 31.56 2 0 1000.00 -999 ? >ALA^B 213 66.28 -18.78 26.18 64.89 -19.28 25.78 65.58 -19.03 25.98 2 0 1000.00 -999 ? >ALA^B 214 66.85 -15.44 24.51 68.22 -15.17 24.06 67.54 -15.31 24.28 2 0 1000.00 -999 ? >ILE^B 215 62.54 -13.70 23.11 61.95 -15.02 22.86 62.25 -14.36 22.98 3 0 1000.00 -999 ? >LEU^B 216 66.11 -11.65 19.01 68.03 -12.63 19.43 67.07 -12.14 19.22 3 0 1000.00 -999 ? >PHE.B 217 61.36 -8.60 21.24 59.98 -10.53 22.78 60.67 -9.57 22.01 3 0 1000.00 -999 ? >GLY.B 218 63.82 -5.85 16.47 63.04 -5.79 16.89 63.43 -5.82 16.68 1 0 1000.00 -999 ? >GLY.B 219 62.08 -2.64 15.59 61.96 -3.37 15.12 62.02 -3.00 15.36 1 0 1000.00 -999 ? >PRO.B 220 58.33 -0.44 14.73 59.43 -2.24 14.03 58.88 -1.34 14.38 3 0 1000.00 -999 ? >TYR.B 221 59.83 1.96 11.95 57.94 3.40 13.43 58.89 2.68 12.69 3 0 1000.00 -999 ? >LYS.B 222 63.47 -2.54 10.19 64.39 2.50 11.13 63.93 -0.02 10.66 2 0 1000.00 -999 ? >GLY.B 223 63.18 -5.87 11.94 63.86 -5.37 12.13 63.52 -5.62 12.03 1 0 1000.00 -999 ? >LEU.B 224 66.05 -9.18 13.51 65.76 -9.49 15.61 65.90 -9.34 14.56 3 0 1000.00 -999 ? >PRO.B 225 70.54 -7.68 13.34 69.21 -8.10 11.60 69.87 -7.89 12.47 3 0 1000.00 -999 ? >GLU.B 226 70.33 -11.60 7.45 71.01 -11.87 5.48 70.67 -11.73 6.47 2 0 1000.00 -999 ? >ILE.B 227 71.76 -12.34 14.60 72.23 -12.73 15.13 71.99 -12.54 14.86 3 0 1000.00 -999 ? >ASP.B 228 73.63 -17.50 13.85 73.30 -19.56 13.43 73.47 -18.53 13.64 2 0 1000.00 -999 ? >ALA.B 229 69.47 -17.95 15.95 68.18 -17.14 15.91 68.82 -17.54 15.93 2 0 1000.00 -999 ? >ASP.B 230 68.30 -22.04 18.15 70.19 -21.76 19.11 69.25 -21.90 18.63 2 0 1000.00 -999 ? >ILE^B 231 63.70 -20.89 16.82 62.71 -21.67 17.43 63.20 -21.28 17.12 3 0 1000.00 -999 ? >TRP^B 232 66.36 -17.53 12.12 66.23 -13.60 11.94 66.30 -15.57 12.03 3 0 1000.00 -999 ? >VAL^B 233 59.59 -17.15 13.92 58.67 -17.98 15.75 59.13 -17.57 14.84 3 0 1000.00 -999 ? >ASN.B 234 55.91 -14.64 12.08 54.37 -13.13 12.00 55.14 -13.88 12.04 2 0 1000.00 -999 ? >THR.B 235 54.72 -15.05 16.75 56.06 -14.48 18.33 55.39 -14.77 17.54 2 0 1000.00 -999 ? >LEU.B 236 52.25 -11.23 15.69 52.89 -10.73 17.69 52.57 -10.98 16.69 3 0 1000.00 -999 ? >PRO.B 237 50.81 -16.28 13.36 50.96 -14.15 12.81 50.88 -15.21 13.08 3 0 1000.00 -999 ? >GLY.B 238 48.58 -11.99 10.01 48.92 -11.75 10.63 48.75 -11.87 10.32 1 0 1000.00 -999 ? >GLN.B 239 51.08 -7.61 10.89 52.99 -7.00 11.62 52.04 -7.30 11.26 2 0 1000.00 -999 ? >CYH.B 240 46.41 -6.09 10.13 44.21 -7.71 10.48 45.31 -6.90 10.30 2 0 1000.00 -999 ? >THR.B 241 48.57 -3.08 10.92 48.48 -3.01 13.11 48.52 -3.04 12.01 2 0 1000.00 -999 ? >GLU.B 242 50.95 -0.67 7.07 51.56 0.74 5.61 51.26 0.04 6.34 2 0 1000.00 -999 ? >THR.B 243 53.76 -2.04 12.21 54.17 0.06 12.43 53.96 -0.99 12.32 2 0 1000.00 -999 ? >VAL.B 244 53.70 -3.62 15.68 53.16 -5.69 16.08 53.43 -4.65 15.88 3 0 1000.00 -999 ? >ARG~B 245 54.98 1.00 17.17 54.98 3.85 18.24 54.98 2.42 17.71 2 0 1000.00 -999 ? >THR~B 246 58.43 -3.31 20.21 60.59 -3.06 20.33 59.51 -3.18 20.27 2 0 1000.00 -999 ? >GLU~B 247 54.94 -0.90 23.27 55.31 1.12 22.71 55.12 0.11 22.99 2 0 1000.00 -999 ? >GLU~B 248 51.79 -2.87 20.88 51.43 -1.56 19.22 51.61 -2.21 20.05 2 0 1000.00 -999 ? >ALA~B 249 55.63 -7.29 20.30 56.78 -7.04 19.31 56.20 -7.16 19.80 2 0 1000.00 -999 ? >VAL~B 250 57.28 -8.02 23.64 58.84 -7.05 24.83 58.06 -7.54 24.24 3 0 1000.00 -999 ? >LEU~B 251 52.98 -7.53 25.84 51.70 -7.88 27.54 52.34 -7.71 26.69 3 0 1000.00 -999 ? >ALA~B 252 52.24 -10.41 22.63 51.95 -9.82 21.25 52.09 -10.12 21.94 2 0 1000.00 -999 ? >THR~B 253 55.21 -12.74 22.10 56.94 -12.58 20.90 56.08 -12.66 21.50 2 0 1000.00 -999 ? >LEU~B 254 56.02 -12.37 26.75 58.03 -11.86 27.26 57.02 -12.12 27.01 3 0 1000.00 -999 ? >SER~B 255 52.17 -14.59 26.14 50.50 -13.33 24.88 51.34 -13.96 25.51 2 0 1000.00 -999 ? >VAL~B 256 52.39 -16.85 23.08 52.32 -16.67 20.89 52.35 -16.76 21.98 3 0 1000.00 -999 ? >PHE~B 257 57.66 -17.91 23.24 58.95 -17.91 20.78 58.31 -17.91 22.01 3 0 1000.00 -999 ? >ASN~B 258 53.30 -17.30 28.55 52.39 -17.75 30.42 52.84 -17.52 29.48 2 0 1000.00 -999 ? >MET~B 259 51.36 -20.77 26.52 48.42 -21.01 23.69 49.89 -20.89 25.11 2 0 1000.00 -999 ? >LEU~B 260 54.77 -22.79 23.93 53.95 -22.61 21.94 54.36 -22.70 22.94 3 0 1000.00 -999 ? >THR~B 261 56.33 -23.61 27.98 57.65 -21.90 27.99 56.99 -22.75 27.99 2 0 1000.00 -999 ? >GLN.B 262 51.53 -23.86 31.72 51.89 -21.80 32.13 51.71 -22.83 31.92 2 0 1000.00 -999 ? >ILE.B 263 55.21 -27.81 33.41 56.47 -27.06 33.82 55.84 -27.43 33.61 3 0 1000.00 -999 ? >ASP.B 264 51.95 -32.13 33.37 51.57 -32.77 31.39 51.76 -32.45 32.38 2 0 1000.00 -999 ?