REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-AUG-06 2HWJ COMPND HYPOTHETICAL PROTEIN ATU1540; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 SYNONYM: AGR_C_2837P; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR. C58; SOURCE 3 ORGANISM_TAXID: 176299; SOURCE 4 STRAIN: C58 / ATCC 33970; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 DERIVATIVES; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET DERIVATIVES AUTHOR C.CHANG,X.XU,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 103 8 HET MSE A 145 8 HET MSE A 186 8 HET MSE B 103 8 HET MSE B 145 8 HET MSE B 186 8 HET MSE C 103 8 HET MSE C 145 8 HET MSE C 186 8 HET MSE D 103 8 HET MSE D 145 8 HET MSE D 186 8 HET MSE E 103 8 HET MSE E 145 8 HET MSE E 186 8 HET MSE F 103 8 HET MSE F 145 8 HET MSE F 186 8 SSBOND 1 CYS A 201 CYS D 201 1555 1555 2.13 SSBOND 2 CYS B 201 CYS C 201 1555 1555 2.15 SSBOND 3 CYS F 201 CYS F 201 1555 3554 2.45 >GLU.A 6 15.43 21.30 -2.16 14.66 19.27 -2.27 15.04 20.28 -2.21 2 0 1000.00 -999 ? >PRO.A 7 16.02 25.41 -5.94 14.61 23.69 -6.02 15.32 24.55 -5.98 3 0 1000.00 -999 ? >ARG.A 8 10.80 20.23 -9.43 11.59 17.30 -9.78 11.19 18.77 -9.61 2 0 1000.00 -999 ? >LEU^A 9 11.77 26.09 -13.73 11.69 27.77 -15.09 11.73 26.93 -14.41 3 0 1000.00 -999 ? >SER^A 10 7.61 27.09 -12.62 6.97 27.15 -10.33 7.29 27.12 -11.47 2 0 1000.00 -999 ? >ARG^A 11 5.77 30.61 -17.05 4.39 30.45 -19.77 5.08 30.53 -18.41 2 0 1000.00 -999 ? >ILE^A 12 2.63 32.03 -11.44 2.36 32.56 -10.24 2.49 32.30 -10.84 3 0 1000.00 -999 ? >ALA^A 13 0.21 34.48 -14.12 -1.25 34.30 -14.28 -0.52 34.39 -14.20 2 0 1000.00 -999 ? >ILE.A 14 1.90 38.90 -13.23 2.84 39.80 -13.50 2.37 39.35 -13.36 3 0 1000.00 -999 ? >ASP~A 15 -3.52 38.67 -12.88 -4.21 36.84 -13.66 -3.87 37.76 -13.27 2 0 1000.00 -999 ? >LYS~A 16 -2.30 35.40 -9.56 -6.68 34.29 -11.24 -4.49 34.85 -10.40 2 0 1000.00 -999 ? >LEU~A 17 2.02 36.86 -7.70 3.83 36.00 -8.29 2.93 36.43 -8.00 3 0 1000.00 -999 ? >ARG.A 18 -3.09 36.36 -2.70 -5.95 35.37 -3.44 -4.52 35.86 -3.07 2 0 1000.00 -999 ? >PRO.A 19 0.34 41.51 -3.70 1.57 39.78 -3.01 0.95 40.64 -3.35 3 0 1000.00 -999 ? >THR.A 20 3.80 40.22 0.64 5.18 38.41 0.46 4.49 39.31 0.55 2 0 1000.00 -999 ? >GLN.A 21 5.88 44.73 -0.61 7.94 45.03 -0.98 6.91 44.88 -0.79 2 0 1000.00 -999 ? >ILE.A 22 1.34 47.60 2.21 0.35 47.73 3.15 0.84 47.67 2.68 3 0 1000.00 -999 ? >ALA^A 23 4.03 49.50 -0.88 4.13 50.77 -0.03 4.08 50.14 -0.45 2 0 1000.00 -999 ? >VAL^A 24 6.74 50.11 -3.47 6.06 48.68 -5.02 6.40 49.39 -4.24 3 0 1000.00 -999 ? >GLY~A 25 8.32 53.23 -4.95 8.03 52.55 -5.47 8.17 52.89 -5.21 1 0 1000.00 -999 ? >PHE~A 26 4.06 53.98 -7.93 1.79 52.51 -7.19 2.92 53.24 -7.56 3 0 1000.00 -999 ? >ARG~A 27 11.56 59.20 -9.01 14.32 59.53 -10.37 12.94 59.37 -9.69 2 0 1000.00 -999 ? >GLU~A 28 13.15 50.91 -8.00 14.26 50.59 -6.02 13.70 50.75 -7.01 2 0 1000.00 -999 ? >VAL~A 29 8.69 50.84 -10.91 6.68 50.19 -10.45 7.69 50.51 -10.68 3 0 1000.00 -999 ? >GLU~A 30 6.74 55.15 -13.36 5.35 54.24 -14.71 6.05 54.69 -14.03 2 0 1000.00 -999 ? >LEU~A 31 13.59 53.51 -13.30 14.29 55.62 -13.19 13.94 54.56 -13.25 3 0 1000.00 -999 ? >LYS~A 32 12.13 49.37 -14.50 14.59 46.95 -10.49 13.36 48.16 -12.50 2 0 1000.00 -999 ? >ARG~A 33 5.80 50.27 -16.34 3.47 51.86 -17.43 4.64 51.06 -16.88 2 0 1000.00 -999 ? >LYS~A 34 11.54 52.05 -19.21 13.70 56.52 -20.15 12.62 54.29 -19.68 2 0 1000.00 -999 ? >GLU~A 35 16.59 49.63 -17.50 17.60 48.56 -15.78 17.09 49.10 -16.64 2 0 1000.00 -999 ? >TRP~A 36 8.90 45.78 -20.62 9.82 41.93 -20.82 9.36 43.86 -20.72 3 0 1000.00 -999 ? >ARG~A 37 6.81 51.27 -22.53 7.23 53.49 -20.34 7.02 52.38 -21.44 2 0 1000.00 -999 ? >GLU~A 38 13.45 51.89 -24.59 13.54 53.76 -23.55 13.50 52.82 -24.07 2 0 1000.00 -999 ? >THR.A 39 14.82 45.80 -24.54 15.73 45.23 -22.54 15.28 45.52 -23.54 2 0 1000.00 -999 ? >ASP.A 46 13.42 29.32 -25.36 15.40 30.09 -25.88 14.41 29.70 -25.62 2 0 1000.00 -999 ? >PHE.A 47 10.42 29.68 -20.76 7.67 29.14 -20.73 9.04 29.41 -20.74 3 0 1000.00 -999 ? >LEU.A 48 17.17 30.80 -22.04 17.17 28.55 -22.07 17.17 29.67 -22.06 3 0 1000.00 -999 ? >GLY.A 49 16.62 34.35 -19.94 16.03 34.84 -20.40 16.33 34.59 -20.17 1 0 1000.00 -999 ? >ASN.A 50 12.19 35.56 -18.62 11.80 35.15 -20.61 11.99 35.35 -19.62 2 0 1000.00 -999 ? >HIS.A 51 13.16 39.40 -15.19 13.69 40.94 -16.51 13.42 40.17 -15.85 3 0 1000.00 -999 ? >ILE^A 52 13.73 33.28 -11.90 14.35 31.91 -12.43 14.04 32.60 -12.17 3 0 1000.00 -999 ? >VAL^A 53 11.14 35.45 -9.07 9.56 36.90 -9.34 10.35 36.17 -9.21 3 0 1000.00 -999 ? >PRO^A 54 12.37 35.31 -4.75 11.34 34.06 -6.29 11.86 34.69 -5.52 3 0 1000.00 -999 ? >VAL^A 55 7.98 32.47 -4.23 6.57 31.98 -5.81 7.28 32.22 -5.02 3 0 1000.00 -999 ? >VAL^A 56 6.54 30.47 -1.29 6.82 31.01 0.86 6.68 30.74 -0.22 3 0 1000.00 -999 ? >ALA^A 57 3.63 28.12 -1.55 3.66 26.64 -1.99 3.65 27.38 -1.77 2 0 1000.00 -999 ? >GLY.A 58 0.81 29.25 0.75 0.64 28.71 0.15 0.73 28.98 0.45 1 0 1000.00 -999 ? >PRO.A 59 -2.33 29.68 3.28 -2.00 28.38 1.59 -2.16 29.03 2.44 3 0 1000.00 -999 ? >LYS.A 60 -4.96 26.71 -1.03 -9.35 27.55 1.81 -7.16 27.13 0.39 2 0 1000.00 -999 ? >ASP.A 61 -2.80 25.61 -4.92 -2.66 23.75 -3.97 -2.73 24.68 -4.44 2 0 1000.00 -999 ? >ARG.A 62 -4.12 31.26 -5.03 -5.09 34.10 -6.04 -4.60 32.68 -5.53 2 0 1000.00 -999 ? >ALA^A 63 1.94 31.43 -4.53 2.50 31.33 -5.89 2.22 31.38 -5.21 2 0 1000.00 -999 ? >TYR^A 64 1.87 34.19 -0.45 -0.84 33.83 0.17 0.52 34.01 -0.14 3 0 1000.00 -999 ? >LEU^A 65 5.53 37.94 -4.85 6.90 38.91 -6.27 6.21 38.43 -5.56 3 0 1000.00 -999 ? >ILE.A 66 9.61 35.74 -1.37 9.39 35.99 -0.21 9.50 35.86 -0.79 3 0 1000.00 -999 ? >ASP.A 67 12.51 39.03 -3.65 13.90 40.40 -2.98 13.20 39.72 -3.32 2 0 1000.00 -999 ? >HIS~A 68 12.89 40.26 -7.33 14.87 39.69 -6.99 13.88 39.98 -7.16 3 0 1000.00 -999 ? >HIS~A 69 6.66 42.94 -3.99 5.89 41.40 -2.77 6.27 42.17 -3.38 3 0 1000.00 -999 ? >HIS~A 70 10.36 48.04 -6.49 10.18 49.15 -4.70 10.27 48.59 -5.59 3 0 1000.00 -999 ? >LEU~A 71 11.02 43.33 -10.95 11.69 42.56 -12.87 11.35 42.95 -11.91 3 0 1000.00 -999 ? >VAL~A 72 6.76 42.46 -10.89 6.12 40.49 -10.15 6.44 41.47 -10.52 3 0 1000.00 -999 ? >LEU~A 73 4.40 46.61 -9.80 2.75 47.98 -9.38 3.57 47.30 -9.59 3 0 1000.00 -999 ? >ALA~A 74 6.73 46.98 -13.66 8.24 47.08 -13.73 7.48 47.03 -13.69 2 0 1000.00 -999 ? >LEU~A 75 6.64 42.48 -15.49 8.77 41.91 -15.63 7.71 42.20 -15.56 3 0 1000.00 -999 ? >SER~A 76 2.45 43.85 -14.91 0.54 43.97 -13.75 1.50 43.91 -14.33 2 0 1000.00 -999 ? >LYS~A 77 2.04 47.46 -15.96 1.81 52.40 -11.97 1.92 49.93 -13.97 2 0 1000.00 -999 ? >GLU~A 78 6.30 47.36 -19.38 5.69 49.06 -20.59 5.99 48.21 -19.99 2 0 1000.00 -999 ? >GLY.A 79 1.17 44.02 -20.07 1.89 43.80 -19.74 1.53 43.91 -19.91 1 0 1000.00 -999 ? >VAL.A 80 3.35 41.01 -19.34 5.44 40.69 -19.11 4.39 40.85 -19.23 3 0 1000.00 -999 ? >GLU.A 81 0.80 37.29 -20.70 -0.70 36.64 -22.10 0.05 36.97 -21.40 2 0 1000.00 -999 ? >HIS^A 82 2.05 33.58 -17.96 0.21 32.76 -18.56 1.13 33.17 -18.26 3 0 1000.00 -999 ? >VAL^A 83 6.66 35.30 -14.89 7.22 36.35 -13.01 6.94 35.83 -13.95 3 0 1000.00 -999 ? >LEU^A 84 10.38 32.14 -14.67 10.55 31.34 -16.67 10.46 31.74 -15.67 3 0 1000.00 -999 ? >THR^A 85 9.17 31.51 -10.43 7.03 31.17 -10.24 8.10 31.34 -10.33 2 0 1000.00 -999 ? >SER^A 86 11.01 29.13 -8.14 13.06 28.14 -7.58 12.03 28.63 -7.86 2 0 1000.00 -999 ? >GLU^A 87 7.69 26.24 -3.80 6.20 24.63 -3.97 6.95 25.43 -3.88 2 0 1000.00 -999 ? >VAL^A 88 11.75 28.21 -2.19 12.48 30.23 -2.37 12.11 29.22 -2.28 3 0 1000.00 -999 ? >ALA^A 89 9.49 27.03 0.63 9.69 28.05 1.72 9.59 27.54 1.18 2 0 1000.00 -999 ? >LYS^A 90 6.28 25.19 1.12 3.62 22.53 -2.54 4.95 23.86 -0.71 2 0 1000.00 -999 ? >PHE.A 91 5.21 28.08 4.65 7.78 28.99 5.23 6.49 28.54 4.94 3 0 1000.00 -999 ? >SER.A 92 0.67 25.01 2.03 1.51 23.46 0.49 1.09 24.24 1.26 2 0 1000.00 -999 ? >HIS.A 93 1.92 22.00 6.24 3.71 22.83 6.98 2.82 22.42 6.61 3 0 1000.00 -999 ? >LEU.A 94 0.09 26.81 7.43 1.96 26.27 8.50 1.02 26.54 7.96 3 0 1000.00 -999 ? >GLY~A 95 -4.23 27.50 7.54 -3.41 27.75 7.56 -3.82 27.63 7.55 1 0 1000.00 -999 ? >LYS~A 96 -4.22 31.21 6.78 -8.86 30.72 3.41 -6.54 30.97 5.10 2 0 1000.00 -999 ? >ASP~A 97 -4.73 31.77 11.29 -5.75 33.09 12.49 -5.24 32.43 11.89 2 0 1000.00 -999 ? >GLU~A 98 0.31 28.32 11.71 0.22 26.40 12.52 0.26 27.36 12.11 2 0 1000.00 -999 ? >PHE~A 99 0.48 31.51 5.18 1.86 32.54 2.92 1.17 32.03 4.05 3 0 1000.00 -999 ? >TRP~A 100 -2.29 35.66 6.76 -0.14 37.28 3.85 -1.21 36.47 5.31 3 0 1000.00 -999 ? >SER~A 101 2.26 34.29 11.49 2.52 33.09 13.56 2.39 33.69 12.53 2 0 1000.00 -999 ? >VAL~A 102 4.91 31.93 10.23 5.21 29.85 9.93 5.06 30.89 10.08 3 0 1000.00 -999 ? >MET?A 103 5.68 34.31 7.32 5.41 33.19 4.08 5.55 33.75 5.70 2 0 1000.00 -999 ? >ASP~A 104 4.67 37.65 10.61 5.18 39.17 11.96 4.92 38.41 11.28 2 0 1000.00 -999 ? >HIS~A 105 7.97 33.67 13.91 8.38 33.29 15.94 8.18 33.48 14.92 3 0 1000.00 -999 ? >ARG~A 106 9.84 30.69 8.97 11.19 28.66 7.19 10.51 29.68 8.08 2 0 1000.00 -999 ? >ASN.A 107 11.89 38.29 8.35 12.18 38.91 10.41 12.04 38.60 9.38 2 0 1000.00 -999 ? >LEU.A 108 8.58 35.85 4.25 10.32 34.37 3.97 9.45 35.11 4.11 3 0 1000.00 -999 ? >ILE.A 109 4.89 39.64 5.40 4.00 38.95 6.12 4.45 39.30 5.76 3 0 1000.00 -999 ? >TYR.A 110 8.02 45.56 4.87 9.06 48.01 5.90 8.54 46.78 5.38 3 0 1000.00 -999 ? >PRO.A 111 3.32 43.83 8.33 3.64 44.69 6.30 3.48 44.26 7.32 3 0 1000.00 -999 ? >PHE.A 112 5.71 48.61 7.80 6.69 47.71 10.24 6.20 48.16 9.02 3 0 1000.00 -999 ? >ASP.A 113 0.52 51.93 4.68 0.91 53.40 6.06 0.71 52.66 5.37 2 0 1000.00 -999 ? >ALA.A 114 3.00 54.07 1.94 2.23 54.58 0.71 2.61 54.32 1.32 2 0 1000.00 -999 ? >GLN.A 115 1.02 57.35 5.31 0.26 56.94 3.31 0.64 57.14 4.31 2 0 1000.00 -999 ? >GLY.A 116 5.32 53.71 6.83 4.61 53.86 6.97 4.97 53.79 6.90 1 0 1000.00 -999 ? >LEU.A 117 1.15 53.03 9.23 0.68 54.45 10.92 0.91 53.74 10.08 3 0 1000.00 -999 ? >ARG.A 118 3.64 46.44 13.30 5.75 44.47 12.00 4.70 45.45 12.65 2 0 1000.00 -999 ? >ARG.A 119 -2.90 49.52 7.63 -3.67 52.31 6.68 -3.28 50.92 7.15 2 0 1000.00 -999 ? >GLN~A 120 -3.43 44.08 11.77 -5.18 43.30 12.59 -4.31 43.69 12.18 2 0 1000.00 -999 ? >SER~A 121 -1.71 41.11 7.63 -0.21 39.57 8.68 -0.96 40.34 8.15 2 0 1000.00 -999 ? >GLY~A 122 -5.17 41.33 6.22 -4.57 41.85 6.20 -4.87 41.59 6.21 1 0 1000.00 -999 ? >ASP~A 123 -3.87 46.05 5.72 -5.48 46.75 7.01 -4.67 46.40 6.37 2 0 1000.00 -999 ? >ILE~A 124 -0.75 41.92 2.69 0.51 42.40 2.79 -0.12 42.16 2.74 3 0 1000.00 -999 ? >PRO.A 125 -0.95 44.63 -1.45 -2.67 43.63 -0.36 -1.81 44.13 -0.90 3 0 1000.00 -999 ? >LYS.A 126 -4.13 40.41 -2.77 -6.92 39.79 1.67 -5.53 40.10 -0.55 2 0 1000.00 -999 ? >ASN~A 127 -4.17 42.01 -7.28 -6.13 41.54 -6.69 -5.15 41.78 -6.99 2 0 1000.00 -999 ? >ILE~A 128 0.86 42.62 -8.52 2.37 42.52 -8.07 1.62 42.57 -8.30 3 0 1000.00 -999 ? >HIS~A 129 -4.24 45.21 -10.10 -6.20 44.58 -9.57 -5.22 44.90 -9.84 3 0 1000.00 -999 ? >ASP~A 130 -3.75 46.35 -4.64 -5.71 45.93 -5.35 -4.73 46.14 -4.99 2 0 1000.00 -999 ? >LEU~A 131 1.86 47.71 -4.95 2.67 45.81 -4.19 2.27 46.76 -4.57 3 0 1000.00 -999 ? >GLU^A 132 -0.94 51.59 -0.91 -1.27 51.79 1.22 -1.10 51.69 0.15 2 0 1000.00 -999 ? >ASP^A 133 3.06 55.27 -4.77 4.84 56.38 -5.39 3.95 55.82 -5.08 2 0 1000.00 -999 ? >ASP~A 134 6.21 53.89 0.05 7.59 54.81 1.50 6.90 54.35 0.78 2 0 1000.00 -999 ? >PRO~A 135 6.12 59.21 -1.40 7.34 57.38 -2.10 6.73 58.30 -1.75 3 0 1000.00 -999 ? >PHE~A 136 10.19 59.15 2.08 9.60 61.89 2.40 9.89 60.52 2.24 3 0 1000.00 -999 ? >ARG~A 137 11.51 51.04 -0.68 13.41 49.83 -2.74 12.46 50.44 -1.71 2 0 1000.00 -999 ? >SER~A 138 12.02 55.41 -4.26 10.09 55.56 -5.64 11.05 55.49 -4.95 2 0 1000.00 -999 ? >LEU~A 139 13.78 59.01 -1.63 14.95 60.87 -1.37 14.37 59.94 -1.50 3 0 1000.00 -999 ? >ALA~A 140 15.90 55.28 -0.52 15.27 54.48 0.56 15.58 54.88 0.02 2 0 1000.00 -999 ? >GLY~A 141 16.42 53.17 -3.74 16.64 53.99 -3.53 16.53 53.58 -3.64 1 0 1000.00 -999 ? >ALA~A 142 17.93 56.04 -5.64 17.22 57.26 -6.01 17.57 56.65 -5.82 2 0 1000.00 -999 ? >LEU~A 143 19.64 56.83 -1.25 20.73 57.53 0.49 20.19 57.18 -0.38 3 0 1000.00 -999 ? >ARG~A 144 21.78 49.75 -2.41 19.67 48.95 -4.39 20.73 49.35 -3.40 2 0 1000.00 -999 ? >MET?A 145 22.00 53.58 -6.45 19.01 52.34 -8.72 20.50 52.96 -7.59 2 0 1000.00 -999 ? >ALA~A 146 23.93 56.77 -5.93 23.29 58.12 -5.57 23.61 57.44 -5.75 2 0 1000.00 -999 ? >GLY~A 147 26.40 55.33 -3.48 25.72 55.75 -3.12 26.06 55.54 -3.30 1 0 1000.00 -999 ? >GLY.A 148 24.88 56.50 -0.28 25.01 55.77 -0.42 24.95 56.13 -0.35 1 0 1000.00 -999 ? >TYR.A 149 22.40 52.65 1.95 19.85 52.40 0.83 21.13 52.53 1.39 3 0 1000.00 -999 ? >ALA.A 150 25.75 49.45 0.68 27.00 48.79 1.24 26.38 49.12 0.96 2 0 1000.00 -999 ? >LYS.A 151 23.55 46.45 -0.11 22.84 44.66 -6.18 23.20 45.55 -3.15 2 0 1000.00 -999 ? >VAL.A 152 23.57 44.26 2.95 23.84 45.24 4.93 23.71 44.75 3.94 3 0 1000.00 -999 ? >ILE.A 153 22.66 39.59 3.98 23.72 38.79 4.38 23.19 39.19 4.18 3 0 1000.00 -999 ? >ILE.A 154 19.71 43.68 6.88 20.17 43.64 7.55 19.94 43.66 7.21 3 0 1000.00 -999 ? >PRO.A 155 15.26 41.10 6.95 16.39 41.97 5.24 15.83 41.54 6.10 3 0 1000.00 -999 ? >PHE~A 156 11.97 44.04 4.43 10.14 41.96 3.80 11.05 43.00 4.11 3 0 1000.00 -999 ? >SER~A 157 17.37 47.40 4.11 19.72 47.93 3.54 18.55 47.67 3.83 2 0 1000.00 -999 ? >GLU~A 158 16.44 49.65 -0.53 17.21 47.71 -0.77 16.82 48.68 -0.65 2 0 1000.00 -999 ? >PHE~A 159 10.61 49.30 2.96 8.76 49.37 0.82 9.68 49.34 1.89 3 0 1000.00 -999 ? >GLY~A 160 14.97 51.22 6.91 14.90 51.59 6.18 14.94 51.41 6.54 1 0 1000.00 -999 ? >TRP~A 161 19.31 52.17 4.44 21.68 55.17 5.31 20.50 53.67 4.88 3 0 1000.00 -999 ? >ALA~A 162 13.15 55.14 3.70 12.15 54.35 2.86 12.65 54.75 3.28 2 0 1000.00 -999 ? >ASP~A 163 11.53 54.27 8.21 11.35 55.00 10.25 11.44 54.64 9.23 2 0 1000.00 -999 ? >PHE~A 164 17.49 57.94 8.31 19.56 59.70 8.80 18.52 58.82 8.56 3 0 1000.00 -999 ? >LEU~A 165 14.73 59.61 3.89 16.60 59.05 2.88 15.67 59.33 3.38 3 0 1000.00 -999 ? >ARG~A 166 8.15 57.52 6.78 7.92 55.82 4.22 8.04 56.67 5.50 2 0 1000.00 -999 ? >ARG~A 167 11.67 58.52 11.53 9.64 56.96 13.22 10.65 57.74 12.38 2 0 1000.00 -999 ? >ARG.A 168 16.72 62.32 9.40 16.06 60.32 11.60 16.39 61.32 10.50 2 0 1000.00 -999 ? >ILE.A 169 13.69 64.53 3.26 14.69 64.44 2.17 14.19 64.49 2.72 3 0 1000.00 -999 ? >ASP~A 170 10.08 68.74 3.42 8.37 69.90 3.12 9.23 69.32 3.27 2 0 1000.00 -999 ? >ARG~A 171 4.29 64.25 3.05 2.55 63.49 5.52 3.42 63.87 4.29 2 0 1000.00 -999 ? >ASP~A 172 6.46 69.86 0.04 4.39 69.61 0.61 5.43 69.73 0.32 2 0 1000.00 -999 ? >LEU~A 173 11.89 68.48 -0.47 13.74 69.46 -1.36 12.81 68.97 -0.91 3 0 1000.00 -999 ? >LEU~A 174 9.87 64.00 -1.92 10.73 62.00 -2.24 10.30 63.00 -2.08 3 0 1000.00 -999 ? >SER~A 175 7.66 65.90 -5.26 5.88 66.48 -3.81 6.77 66.19 -4.54 2 0 1000.00 -999 ? >ASP~A 176 9.31 70.45 -5.00 7.74 71.73 -4.20 8.53 71.09 -4.60 2 0 1000.00 -999 ? >SER~A 177 12.41 68.21 -6.79 14.64 68.97 -7.34 13.53 68.59 -7.07 2 0 1000.00 -999 ? >PHE~A 178 13.46 62.22 -7.13 13.94 59.68 -6.03 13.70 60.95 -6.58 3 0 1000.00 -999 ? >ASP~A 179 17.76 65.82 -8.51 17.41 64.34 -10.05 17.58 65.08 -9.28 2 0 1000.00 -999 ? >ASP~A 180 16.46 69.34 -4.38 17.00 70.62 -5.89 16.73 69.98 -5.13 2 0 1000.00 -999 ? >ALA~A 181 15.55 65.49 -2.16 14.21 64.81 -2.27 14.88 65.15 -2.21 2 0 1000.00 -999 ? >LEU~A 182 18.51 62.65 -4.69 19.74 60.92 -5.09 19.13 61.78 -4.89 3 0 1000.00 -999 ? >ALA~A 183 20.93 65.62 -2.59 21.09 67.03 -3.34 21.01 66.32 -2.97 2 0 1000.00 -999 ? >GLU~A 184 18.38 68.05 1.65 17.30 68.74 3.39 17.84 68.40 2.52 2 0 1000.00 -999 ? >ALA~A 185 19.46 62.33 1.51 18.70 61.37 0.60 19.08 61.85 1.05 2 0 1000.00 -999 ? >MET?A 186 23.00 62.06 0.32 25.28 60.29 -1.13 24.14 61.18 -0.41 2 0 1000.00 -999 ? >LYS~A 187 24.09 64.75 2.86 22.83 70.35 4.50 23.46 67.55 3.68 2 0 1000.00 -999 ? >LEU~A 188 20.72 62.72 5.70 19.11 64.07 6.41 19.91 63.39 6.06 3 0 1000.00 -999 ? >ALA~A 189 23.45 59.28 4.63 23.51 58.82 3.25 23.48 59.05 3.94 2 0 1000.00 -999 ? >LYS~A 190 27.01 60.51 5.24 28.42 57.78 1.06 27.71 59.14 3.15 2 0 1000.00 -999 ? >SER~A 191 26.19 62.11 8.56 23.87 62.44 9.20 25.03 62.28 8.88 2 0 1000.00 -999 ? >ARG~A 192 29.98 60.78 14.23 31.07 63.35 15.59 30.52 62.06 14.91 2 0 1000.00 -999 ? >GLU~A 193 20.79 61.68 12.76 19.92 63.63 13.09 20.36 62.65 12.93 2 0 1000.00 -999 ? >ALA~A 194 22.54 57.67 9.91 22.60 57.85 8.42 22.57 57.76 9.17 2 0 1000.00 -999 ? >ARG~A 195 26.74 56.89 15.10 25.69 59.57 16.37 26.22 58.23 15.74 2 0 1000.00 -999 ? >HIS.A 196 20.76 54.45 13.32 19.38 55.61 12.24 20.07 55.03 12.78 3 0 1000.00 -999 ? >LEU.A 197 21.03 53.10 8.61 19.16 54.28 8.66 20.09 53.69 8.64 3 0 1000.00 -999 ? >PRO.A 198 20.19 48.72 7.13 22.09 49.50 8.06 21.14 49.11 7.59 3 0 1000.00 -999 ? >GLY.A 199 25.00 49.71 5.00 24.98 50.17 5.71 24.99 49.94 5.35 1 0 1000.00 -999 ? >TRP.A 200 25.71 56.14 7.95 29.28 56.22 9.71 27.49 56.18 8.83 3 0 1000.00 -999 ? >CSS.A 201 29.02 54.33 5.02 29.68 53.67 2.40 29.35 54.00 3.71 2 0 1000.00 -999 ? >GLY.A 202 30.66 57.53 6.33 31.01 56.91 6.73 30.84 57.22 6.53 1 0 1000.00 -999 ? >VAL.A 203 33.34 59.06 8.56 34.79 60.69 8.05 34.06 59.87 8.30 3 0 1000.00 -999 ? >GLU.A 204 33.53 55.04 11.35 34.65 53.19 11.38 34.09 54.12 11.36 2 0 1000.00 -999 ? >PRO.B 7 31.06 45.51 21.60 32.45 46.91 22.80 31.76 46.21 22.20 3 0 1000.00 -999 ? >ARG.B 8 33.63 50.77 28.01 36.60 51.35 28.54 35.12 51.06 28.28 2 0 1000.00 -999 ? >LEU^B 9 32.28 45.32 31.25 31.67 44.03 32.82 31.97 44.68 32.03 3 0 1000.00 -999 ? >SER^B 10 29.00 47.86 32.79 27.36 48.84 31.44 28.18 48.35 32.12 2 0 1000.00 -999 ? >ARG^B 11 26.36 46.00 38.10 27.86 45.68 40.76 27.11 45.84 39.43 2 0 1000.00 -999 ? >ILE^B 12 21.62 48.95 35.10 22.07 48.20 34.09 21.84 48.58 34.60 3 0 1000.00 -999 ? >ALA^B 13 20.02 47.69 38.79 19.23 48.72 39.47 19.63 48.21 39.13 2 0 1000.00 -999 ? >ILE.B 14 17.53 43.65 37.90 17.36 42.18 37.83 17.45 42.91 37.86 3 0 1000.00 -999 ? >ASP~B 15 14.14 47.39 39.44 14.87 49.23 40.17 14.50 48.31 39.80 2 0 1000.00 -999 ? >LYS~B 16 15.95 49.72 35.58 16.47 53.36 38.95 16.21 51.54 37.27 2 0 1000.00 -999 ? >LEU~B 17 16.82 45.94 32.71 18.49 44.90 31.90 17.65 45.42 32.31 3 0 1000.00 -999 ? >ARG.B 18 12.77 50.84 30.33 11.23 53.50 29.90 12.00 52.17 30.11 2 0 1000.00 -999 ? >PRO.B 19 10.72 45.19 29.75 12.67 45.29 28.72 11.69 45.24 29.23 3 0 1000.00 -999 ? >THR.B 20 12.04 44.21 24.60 14.12 44.20 24.16 13.08 44.20 24.38 2 0 1000.00 -999 ? >GLN.B 21 10.32 39.37 25.90 11.49 37.63 25.45 10.91 38.50 25.68 2 0 1000.00 -999 ? >ILE.B 22 4.67 41.40 25.72 3.76 42.00 25.19 4.22 41.70 25.45 3 0 1000.00 -999 ? >ALA^B 23 6.08 37.57 27.70 4.95 36.85 27.10 5.51 37.21 27.40 2 0 1000.00 -999 ? >VAL^B 24 8.38 34.80 28.94 9.71 35.87 30.33 9.05 35.34 29.64 3 0 1000.00 -999 ? >GLY~B 25 7.73 31.19 29.94 8.15 31.82 30.46 7.94 31.51 30.20 1 0 1000.00 -999 ? >PHE~B 26 5.80 33.26 34.66 5.37 36.03 34.86 5.58 34.64 34.76 3 0 1000.00 -999 ? >ARG~B 27 7.33 23.86 33.60 9.21 21.48 33.17 8.27 22.67 33.39 2 0 1000.00 -999 ? >GLU~B 28 12.77 29.10 30.67 13.47 28.75 28.63 13.12 28.93 29.65 2 0 1000.00 -999 ? >VAL~B 29 11.89 31.07 34.75 11.18 33.18 34.92 11.54 32.12 34.84 3 0 1000.00 -999 ? >GLU~B 30 8.68 29.30 38.51 9.06 30.36 40.34 8.87 29.83 39.43 2 0 1000.00 -999 ? >LEU~B 31 13.54 25.49 35.31 12.68 23.54 35.16 13.11 24.51 35.24 3 0 1000.00 -999 ? >LYS~B 32 16.29 28.80 36.08 17.57 29.22 31.50 16.93 29.01 33.79 2 0 1000.00 -999 ? >ARG~B 33 13.29 32.41 40.70 10.97 32.80 42.65 12.13 32.61 41.68 2 0 1000.00 -999 ? >LYS~B 34 16.30 26.41 40.93 11.65 23.51 39.68 13.98 24.96 40.30 2 0 1000.00 -999 ? >GLU~B 35 19.67 25.17 36.73 19.43 25.72 34.62 19.55 25.44 35.68 2 0 1000.00 -999 ? >TRP~B 36 20.20 32.46 42.00 23.73 34.13 41.22 21.97 33.29 41.61 3 0 1000.00 -999 ? >ARG~B 37 16.17 28.92 45.93 14.27 27.18 44.24 15.22 28.05 45.09 2 0 1000.00 -999 ? >GLU~B 38 19.69 22.80 44.35 18.28 21.69 43.16 18.99 22.24 43.75 2 0 1000.00 -999 ? >THR~B 39 24.23 26.70 43.39 24.27 26.47 41.20 24.25 26.58 42.30 2 0 1000.00 -999 ? >GLY.B 49 31.59 34.22 37.50 31.25 34.84 38.01 31.42 34.53 37.75 1 0 1000.00 -999 ? >ASN.B 50 28.71 38.15 37.99 28.49 38.19 40.08 28.60 38.17 39.03 2 0 1000.00 -999 ? >HIS.B 51 24.39 35.03 35.05 24.08 32.96 35.23 24.23 33.99 35.14 3 0 1000.00 -999 ? >ILE.B 52 27.87 39.37 31.00 29.30 39.77 30.86 28.59 39.57 30.93 3 0 1000.00 -999 ? >VAL.B 53 23.65 40.10 29.53 21.80 40.24 30.69 22.72 40.17 30.11 3 0 1000.00 -999 ? >PRO^B 54 22.73 40.33 25.08 23.39 41.49 26.77 23.06 40.91 25.92 3 0 1000.00 -999 ? >VAL^B 55 21.77 45.36 26.36 21.67 46.51 28.10 21.72 45.94 27.23 3 0 1000.00 -999 ? >VAL^B 56 21.23 48.11 23.77 20.35 48.00 21.71 20.79 48.05 22.74 3 0 1000.00 -999 ? >ALA^B 57 21.57 51.84 24.72 22.89 52.66 24.81 22.23 52.25 24.76 2 0 1000.00 -999 ? >GLY.B 58 18.47 53.80 23.72 18.90 54.14 24.35 18.69 53.97 24.03 1 0 1000.00 -999 ? >PRO.B 59 15.09 56.40 22.84 16.95 56.54 24.13 16.02 56.47 23.48 3 0 1000.00 -999 ? >LYS.B 60 18.19 58.76 27.60 15.84 62.64 28.24 17.01 60.70 27.92 2 0 1000.00 -999 ? >ASP.B 61 21.94 56.90 30.31 23.19 58.73 30.57 22.57 57.82 30.44 2 0 1000.00 -999 ? >ARG.B 62 15.62 53.94 30.46 14.14 53.97 33.17 14.88 53.96 31.82 2 0 1000.00 -999 ? >ALA^B 63 19.32 50.17 28.84 20.25 49.45 29.80 19.79 49.81 29.32 2 0 1000.00 -999 ? >TYR^B 64 16.03 49.33 25.44 14.39 51.54 25.92 15.21 50.44 25.68 3 0 1000.00 -999 ? >LEU^B 65 16.86 43.39 28.39 17.65 41.59 29.35 17.26 42.49 28.87 3 0 1000.00 -999 ? >ILE.B 66 18.77 42.62 22.83 20.13 43.36 22.89 19.45 42.99 22.86 3 0 1000.00 -999 ? >ASP.B 67 18.50 37.64 24.59 16.97 36.19 24.50 17.74 36.92 24.54 2 0 1000.00 -999 ? >HIS~B 68 20.44 36.38 28.00 21.92 35.89 26.59 21.18 36.14 27.29 3 0 1000.00 -999 ? >HIS~B 69 13.61 39.40 28.32 13.72 41.20 27.24 13.66 40.30 27.78 3 0 1000.00 -999 ? >HIS~B 70 12.85 32.85 29.85 11.31 32.51 28.46 12.08 32.68 29.15 3 0 1000.00 -999 ? >LEU~B 71 18.59 34.37 32.60 20.59 34.46 33.37 19.59 34.41 32.98 3 0 1000.00 -999 ? >VAL~B 72 17.13 38.09 34.22 17.78 39.94 33.36 17.45 39.01 33.79 3 0 1000.00 -999 ? >LEU~B 73 12.35 37.48 34.90 10.40 38.03 35.58 11.38 37.75 35.24 3 0 1000.00 -999 ? >ALA~B 74 14.68 34.74 37.54 15.30 33.51 36.98 14.99 34.12 37.26 2 0 1000.00 -999 ? >LEU~B 75 18.56 37.49 38.28 20.25 36.39 37.32 19.40 36.94 37.80 3 0 1000.00 -999 ? >SER~B 76 15.08 39.55 39.93 13.30 41.19 39.61 14.19 40.37 39.77 2 0 1000.00 -999 ? >LYS~B 77 12.69 37.21 41.68 7.36 35.65 38.71 10.03 36.43 40.20 2 0 1000.00 -999 ? >GLU~B 78 16.07 33.49 42.68 15.38 32.21 44.29 15.73 32.85 43.49 2 0 1000.00 -999 ? >GLY.B 79 16.43 39.40 45.01 16.86 39.10 44.40 16.65 39.25 44.71 1 0 1000.00 -999 ? >VAL.B 80 19.48 40.14 42.90 20.92 38.94 41.81 20.20 39.54 42.35 3 0 1000.00 -999 ? >GLU.B 81 20.05 44.86 45.15 21.38 45.50 46.80 20.72 45.18 45.98 2 0 1000.00 -999 ? >HIS^B 82 23.33 46.14 41.18 23.09 47.64 42.63 23.21 46.89 41.90 3 0 1000.00 -999 ? >VAL^B 83 23.55 42.52 36.72 22.19 41.96 35.04 22.87 42.24 35.88 3 0 1000.00 -999 ? >LEU^B 84 27.74 42.07 34.42 29.41 41.96 35.75 28.57 42.01 35.08 3 0 1000.00 -999 ? >THR^B 85 25.80 44.04 31.02 24.50 45.74 31.63 25.15 44.89 31.32 2 0 1000.00 -999 ? >SER^B 86 27.50 44.50 27.68 28.71 43.49 25.90 28.11 44.00 26.79 2 0 1000.00 -999 ? >GLU^B 87 26.19 49.74 24.64 26.37 51.75 25.25 26.28 50.74 24.94 2 0 1000.00 -999 ? >VAL^B 88 26.23 46.03 21.93 25.08 44.25 22.31 25.66 45.14 22.12 3 0 1000.00 -999 ? >ALA^B 89 24.75 49.13 20.18 23.79 48.48 19.21 24.27 48.81 19.70 2 0 1000.00 -999 ? >LYS^B 90 23.92 52.80 20.70 27.04 55.60 23.76 25.48 54.20 22.23 2 0 1000.00 -999 ? >PHE.B 91 19.87 52.03 18.47 20.52 49.81 16.85 20.20 50.92 17.66 3 0 1000.00 -999 ? >SER.B 92 20.42 56.97 22.03 22.49 56.60 23.39 21.46 56.78 22.71 2 0 1000.00 -999 ? >HIS.B 93 21.77 58.94 17.25 21.93 57.37 15.87 21.85 58.16 16.56 3 0 1000.00 -999 ? >LEU.B 94 16.76 57.22 17.93 17.55 56.59 15.94 17.16 56.90 16.94 3 0 1000.00 -999 ? >GLY~B 95 13.48 59.68 19.55 13.80 58.94 19.35 13.64 59.31 19.45 1 0 1000.00 -999 ? >LYS~B 96 11.16 57.06 21.10 10.17 59.82 26.58 10.66 58.44 23.84 2 0 1000.00 -999 ? >ASP~B 97 8.59 57.45 17.11 6.56 57.33 17.37 7.57 57.39 17.24 2 0 1000.00 -999 ? >GLU~B 98 14.20 56.74 13.93 15.17 58.37 12.87 14.68 57.56 13.40 2 0 1000.00 -999 ? >PHE~B 99 14.50 53.13 20.52 15.57 51.12 22.20 15.03 52.12 21.36 3 0 1000.00 -999 ? >TRP~B 100 9.00 52.61 20.70 10.52 49.88 23.08 9.76 51.25 21.89 3 0 1000.00 -999 ? >SER~B 101 10.91 51.36 14.47 11.03 52.53 12.35 10.97 51.94 13.41 2 0 1000.00 -999 ? >VAL~B 102 14.63 50.62 14.33 16.43 51.82 14.21 15.53 51.22 14.27 3 0 1000.00 -999 ? >MET?B 103 14.44 47.93 16.99 16.42 48.30 19.73 15.43 48.12 18.36 2 0 1000.00 -999 ? >ASP~B 104 10.41 46.88 14.76 8.90 45.61 14.11 9.65 46.25 14.43 2 0 1000.00 -999 ? >HIS~B 105 15.04 47.59 9.88 16.09 47.28 8.09 15.57 47.44 8.99 3 0 1000.00 -999 ? >ARG~B 106 19.10 47.15 13.34 21.67 46.61 11.73 20.38 46.88 12.54 2 0 1000.00 -999 ? >ASN.B 107 14.80 41.00 14.39 13.66 40.35 12.78 14.23 40.67 13.59 2 0 1000.00 -999 ? >LEU.B 108 16.48 44.14 18.70 18.62 44.03 17.98 17.55 44.08 18.34 3 0 1000.00 -999 ? >ILE.B 109 11.02 44.67 19.73 10.78 45.97 19.33 10.90 45.32 19.53 3 0 1000.00 -999 ? >TYR.B 110 8.86 38.22 20.32 7.23 36.24 19.20 8.04 37.23 19.76 3 0 1000.00 -999 ? >PRO.B 111 6.06 43.49 18.60 6.54 42.30 20.51 6.30 42.90 19.56 3 0 1000.00 -999 ? >PHE.B 112 4.09 38.52 18.96 4.28 39.00 16.06 4.19 38.76 17.51 3 0 1000.00 -999 ? >ASP.B 113 0.33 39.51 24.74 -1.27 38.72 23.58 -0.47 39.12 24.16 2 0 1000.00 -999 ? >ALA.B 114 0.88 35.52 26.47 0.39 35.45 27.93 0.63 35.49 27.20 2 0 1000.00 -999 ? >GLN.B 115 -3.98 34.46 25.05 -2.94 34.24 26.99 -3.46 34.35 26.02 2 0 1000.00 -999 ? >GLY.B 116 0.81 35.07 20.89 0.20 35.50 21.09 0.50 35.29 20.99 1 0 1000.00 -999 ? >LEU.B 117 -2.23 38.63 20.77 -4.01 37.75 19.88 -3.12 38.19 20.33 3 0 1000.00 -999 ? >ARG.B 118 2.18 42.58 14.88 5.16 41.96 14.35 3.67 42.27 14.62 2 0 1000.00 -999 ? >ARG.B 119 -1.75 43.75 23.04 -1.54 42.51 25.95 -1.64 43.13 24.50 2 0 1000.00 -999 ? >GLN~B 120 0.46 48.78 18.61 -0.91 49.87 19.77 -0.22 49.33 19.19 2 0 1000.00 -999 ? >SER~B 121 5.74 48.60 20.69 7.10 48.57 18.65 6.42 48.58 19.67 2 0 1000.00 -999 ? >GLY~B 122 4.21 50.95 23.23 4.08 50.17 23.18 4.14 50.56 23.20 1 0 1000.00 -999 ? >ASP~B 123 1.55 47.18 24.44 -0.13 48.36 24.06 0.71 47.77 24.25 2 0 1000.00 -999 ? >ILE~B 124 7.40 46.65 24.85 8.64 45.92 24.28 8.02 46.28 24.56 3 0 1000.00 -999 ? >PRO.B 125 5.94 44.27 29.40 6.35 46.41 28.81 6.15 45.34 29.10 3 0 1000.00 -999 ? >LYS.B 126 8.71 49.13 31.21 6.68 52.93 28.56 7.69 51.03 29.88 2 0 1000.00 -999 ? >ASN~B 127 9.27 46.89 35.37 9.85 48.59 36.41 9.56 47.74 35.89 2 0 1000.00 -999 ? >ILE~B 128 12.54 42.82 34.60 13.18 42.29 34.14 12.86 42.56 34.37 3 0 1000.00 -999 ? >HIS~B 129 9.71 43.24 38.39 11.50 44.24 38.84 10.60 43.74 38.62 3 0 1000.00 -999 ? >ASP~B 130 5.84 44.72 33.78 4.77 46.07 34.97 5.30 45.40 34.38 2 0 1000.00 -999 ? >LEU~B 131 7.94 39.61 31.85 9.54 40.20 30.41 8.74 39.90 31.13 3 0 1000.00 -999 ? >GLU^B 132 1.54 40.08 30.02 0.14 40.05 28.35 0.84 40.07 29.18 2 0 1000.00 -999 ? >ASP^B 133 3.30 34.01 32.69 3.24 31.92 32.65 3.27 32.96 32.67 2 0 1000.00 -999 ? >ASP~B 134 3.66 33.07 26.80 3.27 31.66 25.22 3.46 32.37 26.01 2 0 1000.00 -999 ? >PRO~B 135 0.51 29.26 29.27 2.68 29.50 28.81 1.59 29.38 29.04 3 0 1000.00 -999 ? >PHE~B 136 1.18 27.24 24.36 -1.25 25.81 24.62 -0.03 26.52 24.49 3 0 1000.00 -999 ? >ARG~B 137 9.31 31.12 24.67 12.04 30.15 25.66 10.67 30.63 25.17 2 0 1000.00 -999 ? >SER~B 138 7.39 27.23 28.57 7.15 28.24 30.72 7.27 27.73 29.64 2 0 1000.00 -999 ? >LEU~B 139 4.86 23.91 26.23 4.12 21.90 25.75 4.49 22.90 25.99 3 0 1000.00 -999 ? >ALA~B 140 8.44 24.97 23.81 8.31 26.12 22.81 8.37 25.54 23.31 2 0 1000.00 -999 ? >GLY~B 141 11.31 25.61 26.17 10.86 24.92 25.91 11.09 25.27 26.04 1 0 1000.00 -999 ? >ALA~B 142 10.96 22.14 27.65 9.75 21.71 28.38 10.35 21.92 28.01 2 0 1000.00 -999 ? >LEU~B 143 9.69 21.13 23.04 9.13 19.82 21.43 9.41 20.48 22.24 3 0 1000.00 -999 ? >ARG~B 144 16.61 24.45 22.74 16.51 25.83 25.50 16.56 25.14 24.12 2 0 1000.00 -999 ? >MET?B 145 15.55 20.54 26.38 15.12 23.19 29.72 15.33 21.87 28.05 2 0 1000.00 -999 ? >ALA~B 146 14.02 17.19 25.70 12.61 16.88 25.99 13.31 17.03 25.85 2 0 1000.00 -999 ? >GLY~B 147 15.56 16.77 22.17 14.73 17.13 22.21 15.14 16.95 22.19 1 0 1000.00 -999 ? >GLY.B 148 12.41 17.99 20.49 13.16 18.20 20.24 12.79 18.09 20.36 1 0 1000.00 -999 ? >TYR.B 149 12.83 22.47 18.65 12.12 24.46 20.44 12.48 23.46 19.54 3 0 1000.00 -999 ? >ALA.B 150 17.56 22.05 17.71 18.35 21.78 16.43 17.95 21.92 17.07 2 0 1000.00 -999 ? >LYS.B 151 18.76 25.36 19.17 19.94 28.50 24.14 19.35 26.93 21.66 2 0 1000.00 -999 ? >VAL.B 152 19.22 27.56 16.12 17.76 27.16 14.52 18.49 27.36 15.32 3 0 1000.00 -999 ? >ILE.B 153 21.35 31.44 13.87 22.37 31.23 12.79 21.86 31.34 13.33 3 0 1000.00 -999 ? >ILE.B 154 15.78 31.34 13.46 15.53 30.90 12.65 15.66 31.12 13.05 3 0 1000.00 -999 ? >PRO.B 155 15.73 36.48 14.54 15.93 34.61 15.88 15.83 35.55 15.21 3 0 1000.00 -999 ? >PHE~B 156 12.31 36.58 19.00 13.31 38.98 20.14 12.81 37.78 19.57 3 0 1000.00 -999 ? >SER~B 157 12.81 30.63 17.69 13.90 28.81 16.82 13.35 29.72 17.25 2 0 1000.00 -999 ? >GLU~B 158 12.90 28.39 22.47 14.71 29.36 21.92 13.81 28.88 22.20 2 0 1000.00 -999 ? >PHE~B 159 8.27 33.58 21.76 8.35 34.54 24.42 8.31 34.06 23.09 3 0 1000.00 -999 ? >GLY~B 160 7.87 30.11 16.80 7.84 29.75 17.53 7.86 29.93 17.16 1 0 1000.00 -999 ? >TRP~B 161 10.44 25.62 17.45 9.28 22.04 16.48 9.86 23.83 16.97 3 0 1000.00 -999 ? >ALA~B 162 5.11 28.05 21.09 5.36 29.12 22.10 5.23 28.59 21.59 2 0 1000.00 -999 ? >ASP~B 163 3.05 30.54 17.36 3.83 32.39 18.38 3.44 31.47 17.87 2 0 1000.00 -999 ? >PHE~B 164 3.71 23.97 15.57 3.44 21.34 14.78 3.57 22.65 15.18 3 0 1000.00 -999 ? >LEU~B 165 2.77 24.00 21.07 4.52 22.72 20.92 3.65 23.36 20.99 3 0 1000.00 -999 ? >ARG~B 166 -0.71 30.63 21.00 1.70 31.50 22.72 0.49 31.06 21.86 2 0 1000.00 -999 ? >ARG~B 167 -1.67 28.15 15.07 -1.21 31.14 14.76 -1.44 29.65 14.91 2 0 1000.00 -999 ? >ARG.B 168 -0.33 21.67 15.49 -0.03 23.94 13.39 -0.18 22.80 14.44 2 0 1000.00 -999 ? >ILE.B 169 -1.33 21.34 22.85 -0.28 20.56 23.40 -0.81 20.95 23.13 3 0 1000.00 -999 ? >ASP~B 170 -6.54 21.38 25.30 -7.79 22.11 26.89 -7.17 21.74 26.10 2 0 1000.00 -999 ? >ARG~B 171 -5.20 29.21 27.74 -8.09 30.45 27.39 -6.64 29.83 27.56 2 0 1000.00 -999 ? >ASP~B 172 -7.69 23.09 30.01 -8.81 24.90 29.84 -8.25 23.99 29.92 2 0 1000.00 -999 ? >LEU~B 173 -4.37 19.31 28.04 -3.03 17.60 28.42 -3.70 18.45 28.23 3 0 1000.00 -999 ? >LEU~B 174 -0.88 23.41 28.60 1.26 24.01 28.65 0.19 23.71 28.63 3 0 1000.00 -999 ? >SER~B 175 -2.03 23.88 32.70 -3.80 25.52 32.07 -2.92 24.70 32.39 2 0 1000.00 -999 ? >ASP~B 176 -4.53 19.97 34.15 -6.09 20.87 35.13 -5.31 20.42 34.64 2 0 1000.00 -999 ? >SER~B 177 -0.66 18.13 33.26 -0.38 15.86 32.49 -0.52 17.00 32.88 2 0 1000.00 -999 ? >PHE~B 178 4.66 20.70 31.81 6.45 22.09 30.13 5.55 21.40 30.97 3 0 1000.00 -999 ? >ASP~B 179 4.29 14.66 32.06 5.69 15.19 33.59 4.99 14.93 32.83 2 0 1000.00 -999 ? >ASP~B 180 -0.48 14.92 29.56 -0.86 13.15 30.71 -0.67 14.04 30.14 2 0 1000.00 -999 ? >ALA~B 181 1.34 18.19 27.06 1.22 19.61 27.56 1.28 18.90 27.31 2 0 1000.00 -999 ? >LEU~B 182 6.06 17.27 27.53 8.07 17.53 27.05 7.07 17.40 27.29 3 0 1000.00 -999 ? >ALA~B 183 4.41 13.92 25.36 3.75 12.72 26.08 4.08 13.32 25.72 2 0 1000.00 -999 ? >GLU~B 184 -0.69 15.47 23.57 -2.49 16.79 23.54 -1.59 16.13 23.56 2 0 1000.00 -999 ? >ALA~B 185 4.41 18.11 21.78 4.99 19.14 22.79 4.70 18.63 22.28 2 0 1000.00 -999 ? >MET?B 186 7.11 15.49 21.26 10.15 14.62 21.36 8.63 15.06 21.31 2 0 1000.00 -999 ? >LYS~B 187 4.84 13.68 18.97 0.10 10.68 18.60 2.47 12.18 18.78 2 0 1000.00 -999 ? >LEU~B 188 3.18 18.03 17.44 1.04 18.25 17.54 2.11 18.14 17.49 3 0 1000.00 -999 ? >ALA~B 189 7.68 17.79 16.85 8.60 17.86 17.96 8.14 17.83 17.41 2 0 1000.00 -999 ? >LYS~B 190 8.71 14.71 14.99 13.36 14.94 17.51 11.03 14.82 16.25 2 0 1000.00 -999 ? >SER~B 191 5.84 14.80 12.53 4.05 16.38 13.06 4.94 15.59 12.80 2 0 1000.00 -999 ? >ARG~B 192 3.71 14.16 6.45 1.15 13.55 4.73 2.43 13.86 5.59 2 0 1000.00 -999 ? >GLU~B 193 0.85 18.91 10.75 -0.70 19.65 12.07 0.08 19.28 11.41 2 0 1000.00 -999 ? >ALA~B 194 6.30 20.68 12.07 6.88 20.21 13.35 6.59 20.44 12.71 2 0 1000.00 -999 ? >ARG~B 195 10.37 19.04 5.70 11.53 16.39 4.55 10.95 17.72 5.12 2 0 1000.00 -999 ? >HIS.B 196 6.10 25.05 9.14 4.83 24.95 10.79 5.46 25.00 9.96 3 0 1000.00 -999 ? >LEU.B 197 9.18 24.56 13.13 7.30 25.30 13.92 8.24 24.93 13.52 3 0 1000.00 -999 ? >PRO.B 198 11.99 27.79 14.28 12.61 26.27 12.61 12.30 27.03 13.44 3 0 1000.00 -999 ? >GLY.B 199 15.34 23.31 14.09 14.70 23.13 13.64 15.02 23.22 13.86 1 0 1000.00 -999 ? >TRP.B 200 9.89 19.04 12.51 11.18 16.57 9.64 10.53 17.81 11.07 3 0 1000.00 -999 ? >CSS.B 201 14.53 17.15 13.56 16.62 16.74 15.26 15.57 16.94 14.41 2 0 1000.00 -999 ? >GLY.B 202 12.38 14.37 12.18 13.03 14.50 11.65 12.71 14.43 11.91 1 0 1000.00 -999 ? >VAL.B 203 12.50 11.48 9.90 12.20 9.38 10.03 12.35 10.43 9.96 3 0 1000.00 -999 ? >GLU.B 204 14.52 14.75 6.35 16.22 15.63 5.34 15.37 15.19 5.85 2 0 1000.00 -999 ? >GLU.C 6 19.81 42.40 -11.02 19.09 44.26 -10.22 19.45 43.33 -10.62 2 0 1000.00 -999 ? >PRO.C 7 17.44 37.15 -9.27 17.66 37.84 -11.40 17.55 37.49 -10.33 3 0 1000.00 -999 ? >ARG.C 8 18.49 38.48 -17.26 16.51 40.54 -18.46 17.50 39.51 -17.86 2 0 1000.00 -999 ? >LEU.C 9 15.83 31.45 -16.53 15.31 29.34 -16.61 15.57 30.39 -16.57 3 0 1000.00 -999 ? >SER^C 10 19.98 30.20 -17.97 21.65 31.40 -16.67 20.82 30.80 -17.32 2 0 1000.00 -999 ? >ARG^C 11 19.09 24.54 -20.06 17.63 21.95 -20.96 18.36 23.24 -20.51 2 0 1000.00 -999 ? >ILE^C 12 25.81 25.24 -18.03 25.94 25.25 -17.15 25.88 25.25 -17.59 3 0 1000.00 -999 ? >ALA^C 13 25.82 21.61 -20.08 26.79 21.31 -21.09 26.30 21.46 -20.59 2 0 1000.00 -999 ? >ILE.C 14 26.07 18.58 -16.34 25.23 17.88 -15.55 25.65 18.23 -15.94 3 0 1000.00 -999 ? >ASP~C 15 30.44 18.15 -19.61 28.81 18.11 -21.08 29.62 18.13 -20.34 2 0 1000.00 -999 ? >LYS~C 16 30.86 22.72 -18.38 31.43 21.85 -23.31 31.15 22.28 -20.84 2 0 1000.00 -999 ? >LEU~C 17 28.80 22.77 -14.03 26.97 23.65 -13.47 27.88 23.21 -13.75 3 0 1000.00 -999 ? >ARG.C 18 35.43 24.69 -14.47 37.55 25.21 -16.62 36.49 24.95 -15.54 2 0 1000.00 -999 ? >PRO.C 19 33.19 20.27 -10.18 32.75 22.44 -9.86 32.97 21.36 -10.02 3 0 1000.00 -999 ? >THR.C 20 33.46 24.33 -5.97 31.76 25.79 -6.17 32.61 25.06 -6.07 2 0 1000.00 -999 ? >GLN.C 21 31.95 20.19 -3.40 30.18 19.99 -2.30 31.06 20.09 -2.85 2 0 1000.00 -999 ? >ILE.C 22 37.41 18.09 -3.11 38.85 18.02 -2.94 38.13 18.06 -3.03 3 0 1000.00 -999 ? >ALA^C 23 33.96 15.29 -2.54 34.58 14.48 -1.43 34.27 14.88 -1.99 2 0 1000.00 -999 ? >VAL^C 24 30.31 14.21 -2.14 29.58 14.55 -4.18 29.94 14.38 -3.16 3 0 1000.00 -999 ? >GLY~C 25 28.73 11.17 -0.58 28.48 11.44 -1.37 28.61 11.30 -0.97 1 0 1000.00 -999 ? >PHE~C 26 30.05 8.31 -4.88 32.04 9.58 -6.60 31.04 8.95 -5.74 3 0 1000.00 -999 ? >ARG~C 27 24.20 4.39 1.72 21.40 5.17 2.84 22.80 4.78 2.28 2 0 1000.00 -999 ? >GLU~C 28 22.73 12.63 -0.55 22.93 13.49 1.49 22.83 13.06 0.47 2 0 1000.00 -999 ? >VAL~C 29 24.02 10.49 -5.14 25.60 11.19 -6.32 24.81 10.84 -5.73 3 0 1000.00 -999 ? >GLU~C 30 24.49 5.44 -5.72 24.67 5.26 -7.88 24.58 5.35 -6.80 2 0 1000.00 -999 ? >LEU~C 31 19.28 8.28 -2.25 19.16 6.82 -0.50 19.22 7.55 -1.38 3 0 1000.00 -999 ? >LYS~C 32 18.95 11.03 -5.74 19.64 15.32 -2.37 19.30 13.18 -4.05 2 0 1000.00 -999 ? >ARG~C 33 22.24 8.16 -10.68 23.95 5.91 -11.78 23.10 7.04 -11.23 2 0 1000.00 -999 ? >LYS~C 34 16.93 6.32 -7.71 13.86 2.42 -4.58 15.39 4.37 -6.14 2 0 1000.00 -999 ? >GLU~C 35 13.43 10.84 -5.80 13.70 10.90 -3.69 13.56 10.87 -4.74 2 0 1000.00 -999 ? >TRP~C 36 16.56 10.76 -13.56 15.41 14.44 -14.47 15.98 12.60 -14.01 3 0 1000.00 -999 ? >ARG~C 37 17.33 5.85 -12.45 19.29 3.82 -11.14 18.31 4.84 -11.80 2 0 1000.00 -999 ? >GLU~C 38 11.62 5.07 -8.98 11.91 4.51 -6.94 11.76 4.79 -7.96 2 0 1000.00 -999 ? >THR~C 39 9.55 10.49 -10.98 10.78 12.14 -10.25 10.16 11.32 -10.61 2 0 1000.00 -999 ? >PHE.C 47 13.11 24.58 -20.43 14.79 24.73 -22.72 13.95 24.66 -21.57 3 0 1000.00 -999 ? >LEU.C 48 7.16 24.16 -16.51 6.71 25.99 -17.65 6.94 25.08 -17.08 3 0 1000.00 -999 ? >GLY.C 49 9.36 21.29 -13.54 10.04 21.74 -13.84 9.70 21.51 -13.69 1 0 1000.00 -999 ? >ASN.C 50 13.74 21.52 -15.40 13.03 20.23 -16.92 13.38 20.87 -16.16 2 0 1000.00 -999 ? >HIS.C 51 16.03 19.50 -10.33 15.05 17.94 -9.34 15.54 18.72 -9.84 3 0 1000.00 -999 ? >ILE^C 52 16.73 26.24 -10.92 15.82 27.38 -11.47 16.28 26.81 -11.20 3 0 1000.00 -999 ? >VAL^C 53 20.89 25.37 -9.53 22.29 23.67 -9.86 21.59 24.52 -9.70 3 0 1000.00 -999 ? >PRO^C 54 22.56 27.40 -6.07 22.40 27.79 -8.24 22.48 27.60 -7.15 3 0 1000.00 -999 ? >VAL^C 55 25.96 29.50 -10.09 25.91 28.87 -12.18 25.93 29.19 -11.14 3 0 1000.00 -999 ? >VAL^C 56 28.59 32.25 -9.82 29.75 32.79 -8.07 29.17 32.52 -8.94 3 0 1000.00 -999 ? >ALA^C 57 30.25 33.76 -12.93 29.73 34.78 -13.90 29.99 34.27 -13.42 2 0 1000.00 -999 ? >GLY.C 58 33.93 33.23 -12.86 33.66 33.45 -13.59 33.80 33.34 -13.23 1 0 1000.00 -999 ? >PRO.C 59 37.97 33.67 -12.64 36.52 33.76 -14.32 37.25 33.71 -13.48 3 0 1000.00 -999 ? >LYS.C 60 36.94 33.44 -18.62 41.88 34.44 -19.48 39.41 33.94 -19.05 2 0 1000.00 -999 ? >ASP.C 61 32.79 32.91 -20.46 33.00 35.03 -20.61 32.90 33.97 -20.54 2 0 1000.00 -999 ? >ARG.C 62 34.45 28.31 -18.39 34.05 25.19 -17.96 34.25 26.75 -18.17 2 0 1000.00 -999 ? >ALA^C 63 30.02 29.15 -14.40 28.83 28.61 -15.06 29.43 28.88 -14.73 2 0 1000.00 -999 ? >TYR^C 64 33.16 28.56 -10.69 35.62 28.78 -11.99 34.39 28.67 -11.34 3 0 1000.00 -999 ? >LEU^C 65 28.02 24.16 -9.49 26.49 22.77 -8.97 27.25 23.46 -9.23 3 0 1000.00 -999 ? >ILE.C 66 27.10 28.39 -5.83 28.02 28.73 -5.09 27.56 28.56 -5.46 3 0 1000.00 -999 ? >ASP.C 67 24.16 24.90 -3.55 23.58 23.94 -1.72 23.87 24.42 -2.64 2 0 1000.00 -999 ? >HIS~C 68 21.60 22.39 -5.28 20.24 23.48 -4.10 20.92 22.93 -4.69 3 0 1000.00 -999 ? >HIS~C 69 28.76 20.25 -5.80 29.86 21.98 -6.25 29.31 21.12 -6.02 3 0 1000.00 -999 ? >HIS~C 70 25.28 15.38 -2.69 26.69 15.26 -1.14 25.98 15.32 -1.91 3 0 1000.00 -999 ? >LEU~C 71 21.15 17.68 -7.43 19.05 17.86 -8.13 20.10 17.77 -7.78 3 0 1000.00 -999 ? >VAL~C 72 24.23 17.70 -10.31 24.93 19.67 -11.00 24.58 18.69 -10.66 3 0 1000.00 -999 ? >LEU~C 73 27.22 14.07 -9.24 28.82 12.64 -9.36 28.02 13.36 -9.30 3 0 1000.00 -999 ? >ALA~C 74 23.12 12.36 -9.97 22.03 12.54 -8.95 22.58 12.45 -9.46 2 0 1000.00 -999 ? >LEU~C 75 21.40 15.60 -12.98 19.47 16.65 -12.30 20.43 16.13 -12.64 3 0 1000.00 -999 ? >SER~C 76 24.86 13.69 -14.92 27.17 13.60 -15.10 26.02 13.65 -15.01 2 0 1000.00 -999 ? >LYS~C 77 25.16 10.00 -14.05 28.60 6.10 -11.23 26.88 8.05 -12.64 2 0 1000.00 -999 ? >GLU~C 78 20.24 9.22 -13.29 19.64 7.22 -13.41 19.94 8.22 -13.35 2 0 1000.00 -999 ? >GLY.C 79 22.56 10.80 -18.76 22.35 11.41 -18.23 22.45 11.10 -18.50 1 0 1000.00 -999 ? >VAL.C 80 20.93 14.22 -18.42 19.45 15.06 -17.13 20.19 14.64 -17.78 3 0 1000.00 -999 ? >GLU.C 81 23.73 17.03 -23.01 23.10 17.41 -25.07 23.41 17.22 -24.04 2 0 1000.00 -999 ? >HIS^C 82 21.64 21.02 -21.60 22.10 20.69 -23.62 21.87 20.86 -22.61 3 0 1000.00 -999 ? >VAL^C 83 20.64 21.93 -16.07 21.50 21.95 -14.02 21.07 21.94 -15.04 3 0 1000.00 -999 ? >LEU^C 84 17.26 25.31 -15.13 15.73 25.28 -16.72 16.50 25.29 -15.92 3 0 1000.00 -999 ? >THR^C 85 20.93 27.81 -13.64 22.73 27.52 -14.74 21.83 27.66 -14.19 2 0 1000.00 -999 ? >SER^C 86 20.77 31.21 -12.02 19.50 32.77 -10.71 20.14 31.99 -11.36 2 0 1000.00 -999 ? >GLU^C 87 25.47 34.98 -12.91 25.98 36.06 -14.66 25.73 35.52 -13.78 2 0 1000.00 -999 ? >VAL^C 88 23.75 34.89 -8.39 23.35 33.17 -6.99 23.55 34.03 -7.69 3 0 1000.00 -999 ? >ALA^C 89 27.07 36.61 -8.44 27.74 36.14 -7.24 27.40 36.38 -7.84 2 0 1000.00 -999 ? >LYS^C 90 29.52 37.79 -11.06 28.16 38.22 -16.26 28.84 38.00 -13.66 2 0 1000.00 -999 ? >PHE.C 91 32.92 36.96 -8.10 31.54 36.85 -5.66 32.23 36.91 -6.88 3 0 1000.00 -999 ? >SER.C 92 34.38 37.63 -14.20 32.22 37.87 -15.43 33.30 37.75 -14.82 2 0 1000.00 -999 ? >HIS.C 93 35.17 42.23 -11.84 34.36 42.13 -9.90 34.76 42.18 -10.87 3 0 1000.00 -999 ? >LEU.C 94 38.25 38.49 -10.04 37.50 39.83 -8.54 37.88 39.16 -9.29 3 0 1000.00 -999 ? >GLY~C 95 41.79 37.19 -12.28 41.31 37.08 -11.62 41.55 37.13 -11.95 1 0 1000.00 -999 ? >LYS~C 96 42.34 33.57 -11.21 42.93 33.94 -14.72 42.64 33.75 -12.97 2 0 1000.00 -999 ? >ASP~C 97 45.60 34.71 -7.77 47.07 33.41 -8.40 46.33 34.06 -8.08 2 0 1000.00 -999 ? >GLU~C 98 41.25 39.25 -6.86 41.70 41.00 -7.84 41.48 40.13 -7.35 2 0 1000.00 -999 ? >PHE~C 99 37.42 33.38 -9.11 35.30 31.67 -9.28 36.36 32.52 -9.20 3 0 1000.00 -999 ? >TRP~C 100 41.17 29.88 -8.38 37.97 27.72 -7.71 39.57 28.80 -8.04 3 0 1000.00 -999 ? >SER~C 101 40.56 33.98 -2.79 41.82 35.31 -1.34 41.19 34.64 -2.07 2 0 1000.00 -999 ? >VAL~C 102 37.32 35.86 -3.04 36.40 37.61 -4.02 36.86 36.74 -3.53 3 0 1000.00 -999 ? >MET?C 103 35.52 32.54 -3.30 33.58 31.99 -5.82 34.55 32.26 -4.56 2 0 1000.00 -999 ? >ASP~C 104 38.38 30.90 0.24 38.76 30.60 2.30 38.57 30.75 1.27 2 0 1000.00 -999 ? >HIS~C 105 36.40 37.25 1.99 35.62 38.87 3.09 36.01 38.06 2.54 3 0 1000.00 -999 ? >ARG~C 106 31.76 36.64 -1.32 30.27 39.28 -1.61 31.02 37.96 -1.46 2 0 1000.00 -999 ? >ASN.C 107 32.00 30.01 2.91 32.81 31.08 4.54 32.40 30.55 3.73 2 0 1000.00 -999 ? >LEU.C 108 31.33 30.49 -2.93 29.64 31.85 -2.74 30.48 31.17 -2.84 3 0 1000.00 -999 ? >ILE.C 109 35.55 27.15 -2.49 36.62 27.98 -2.79 36.08 27.57 -2.64 3 0 1000.00 -999 ? >TYR.C 110 33.71 22.17 1.70 34.12 20.72 4.07 33.91 21.45 2.89 3 0 1000.00 -999 ? >PRO.C 111 39.37 24.02 -0.19 37.69 22.55 -0.44 38.53 23.28 -0.31 3 0 1000.00 -999 ? >PHE.C 112 37.95 20.35 3.72 38.64 22.68 5.22 38.30 21.51 4.47 3 0 1000.00 -999 ? >ASP.C 113 40.36 15.17 -0.12 41.49 14.64 1.62 40.93 14.90 0.75 2 0 1000.00 -999 ? >ALA.C 114 37.23 12.45 0.69 37.40 11.29 -0.28 37.32 11.87 0.20 2 0 1000.00 -999 ? >GLN.C 115 41.43 10.73 3.23 40.78 10.07 1.28 41.10 10.40 2.26 2 0 1000.00 -999 ? >GLY.C 116 38.32 15.40 5.15 38.99 15.26 4.86 38.66 15.33 5.01 1 0 1000.00 -999 ? >LEU.C 117 42.92 16.46 4.37 43.72 15.24 5.95 43.32 15.85 5.16 3 0 1000.00 -999 ? >ARG.C 118 42.56 24.26 4.88 39.99 25.88 4.53 41.28 25.07 4.70 2 0 1000.00 -999 ? >ARG.C 119 43.81 18.06 -0.02 44.48 15.81 -1.99 44.14 16.94 -1.01 2 0 1000.00 -999 ? >GLN~C 120 46.76 24.64 -1.91 48.79 24.08 -2.36 47.77 24.36 -2.14 2 0 1000.00 -999 ? >SER~C 121 41.92 25.70 -4.79 42.00 27.96 -3.90 41.96 26.83 -4.34 2 0 1000.00 -999 ? >GLY~C 122 44.14 24.08 -7.41 43.64 23.72 -6.88 43.89 23.90 -7.15 1 0 1000.00 -999 ? >ASP~C 123 43.36 19.93 -5.03 45.52 19.69 -4.93 44.44 19.81 -4.98 2 0 1000.00 -999 ? >ILE~C 124 38.47 22.66 -6.68 37.48 23.42 -6.00 37.97 23.04 -6.34 3 0 1000.00 -999 ? >PRO.C 125 36.29 18.49 -8.19 38.10 19.45 -9.08 37.19 18.97 -8.63 3 0 1000.00 -999 ? >LYS.C 126 36.86 20.83 -13.05 41.52 23.33 -13.05 39.19 22.08 -13.05 2 0 1000.00 -999 ? >ASN~C 127 34.18 17.05 -14.90 34.66 17.62 -16.87 34.42 17.33 -15.88 2 0 1000.00 -999 ? >ILE~C 128 30.01 17.08 -12.35 29.24 17.90 -11.20 29.62 17.49 -11.78 3 0 1000.00 -999 ? >HIS~C 129 31.23 12.63 -14.63 29.27 11.91 -14.92 30.25 12.27 -14.77 3 0 1000.00 -999 ? >ASP~C 130 36.93 14.85 -11.46 37.51 14.47 -13.51 37.22 14.66 -12.48 2 0 1000.00 -999 ? >LEU~C 131 32.76 14.68 -7.23 31.90 16.69 -7.19 32.33 15.68 -7.21 3 0 1000.00 -999 ? >GLU^C 132 38.14 12.39 -4.56 39.74 13.32 -3.32 38.94 12.85 -3.94 2 0 1000.00 -999 ? >ASP^C 133 33.38 8.36 -2.68 31.61 7.51 -1.90 32.50 7.93 -2.29 2 0 1000.00 -999 ? >ASP~C 134 33.55 12.33 1.52 33.71 12.37 3.59 33.63 12.35 2.55 2 0 1000.00 -999 ? >PRO~C 135 33.72 6.98 2.99 32.16 8.52 2.43 32.94 7.75 2.71 3 0 1000.00 -999 ? >PHE~C 136 32.89 9.11 7.70 34.20 6.93 8.91 33.55 8.02 8.30 3 0 1000.00 -999 ? >ARG~C 137 28.40 15.44 3.09 25.45 15.74 2.39 26.93 15.59 2.74 2 0 1000.00 -999 ? >SER~C 138 26.91 9.87 3.10 27.61 8.86 1.01 27.26 9.37 2.06 2 0 1000.00 -999 ? >LEU~C 139 27.76 8.41 7.64 27.70 6.87 9.14 27.73 7.64 8.39 3 0 1000.00 -999 ? >ALA~C 140 25.97 12.37 7.70 26.81 13.55 7.56 26.39 12.96 7.63 2 0 1000.00 -999 ? >GLY~C 141 23.20 12.79 5.14 23.34 12.16 5.77 23.27 12.47 5.45 1 0 1000.00 -999 ? >ALA~C 142 21.66 9.57 6.23 22.20 8.10 6.08 21.93 8.83 6.16 2 0 1000.00 -999 ? >LEU~C 143 23.03 11.17 10.53 23.20 11.34 12.64 23.11 11.25 11.59 3 0 1000.00 -999 ? >ARG~C 144 19.20 17.01 7.28 19.79 16.32 4.32 19.49 16.67 5.80 2 0 1000.00 -999 ? >MET?C 145 17.22 12.00 7.29 18.09 11.46 3.29 17.66 11.73 5.29 2 0 1000.00 -999 ? >ALA~C 146 16.83 9.63 10.14 17.86 8.58 10.53 17.35 9.10 10.34 2 0 1000.00 -999 ? >GLY.C 147 16.28 12.67 12.31 16.99 12.26 12.32 16.64 12.46 12.32 1 0 1000.00 -999 ? >GLY.C 148 19.58 12.64 14.09 19.31 13.26 13.69 19.45 12.95 13.89 1 0 1000.00 -999 ? >TYR.C 149 22.18 16.51 12.25 23.35 16.05 9.78 22.76 16.28 11.02 3 0 1000.00 -999 ? >ALA.C 150 18.36 19.47 12.03 17.82 20.69 12.90 18.09 20.08 12.47 2 0 1000.00 -999 ? >LYS.C 151 18.92 21.19 8.68 15.39 19.09 4.22 17.15 20.14 6.45 2 0 1000.00 -999 ? >VAL.C 152 20.23 24.65 9.38 21.55 24.54 11.05 20.89 24.59 10.22 3 0 1000.00 -999 ? >ILE.C 153 20.89 28.87 6.93 19.50 29.32 7.54 20.20 29.09 7.24 3 0 1000.00 -999 ? >ILE.C 154 25.72 26.47 9.24 25.78 26.74 10.04 25.75 26.61 9.64 3 0 1000.00 -999 ? >PRO.C 155 28.33 28.36 5.34 26.66 26.76 5.27 27.50 27.56 5.31 3 0 1000.00 -999 ? >PHE~C 156 30.26 23.91 3.39 30.67 25.05 0.76 30.46 24.48 2.08 3 0 1000.00 -999 ? >SER~C 157 26.65 21.73 8.02 24.60 21.41 9.24 25.62 21.57 8.63 2 0 1000.00 -999 ? >GLU~C 158 24.44 17.59 5.84 23.44 19.24 5.05 23.94 18.42 5.44 2 0 1000.00 -999 ? >PHE~C 159 31.23 18.29 3.83 31.24 17.13 1.28 31.24 17.71 2.56 3 0 1000.00 -999 ? >GLY~C 160 30.95 19.36 9.72 30.54 18.65 9.44 30.75 19.00 9.58 1 0 1000.00 -999 ? >TRP~C 161 25.92 17.96 11.60 25.28 15.91 14.95 25.60 16.93 13.27 3 0 1000.00 -999 ? >ALA~C 162 30.92 14.03 8.51 31.16 14.23 7.08 31.04 14.13 7.79 2 0 1000.00 -999 ? >ASP~C 163 34.67 16.61 10.14 35.62 16.87 8.16 35.14 16.74 9.15 2 0 1000.00 -999 ? >PHE~C 164 31.05 14.53 15.44 30.17 13.70 18.02 30.61 14.11 16.73 3 0 1000.00 -999 ? >LEU~C 165 30.66 10.68 11.64 28.58 10.59 12.25 29.62 10.63 11.95 3 0 1000.00 -999 ? >ARG~C 166 36.85 12.55 8.28 35.30 12.88 5.67 36.07 12.72 6.97 2 0 1000.00 -999 ? >ARG~C 167 37.59 14.65 14.00 40.15 15.98 13.08 38.87 15.31 13.54 2 0 1000.00 -999 ? >ARG.C 168 33.01 11.12 17.75 34.49 13.80 18.10 33.75 12.46 17.92 2 0 1000.00 -999 ? >ILE.C 169 32.06 5.84 12.94 30.61 5.61 12.91 31.33 5.72 12.92 3 0 1000.00 -999 ? >ASP~C 170 35.81 1.69 12.79 36.79 0.13 11.77 36.30 0.91 12.28 2 0 1000.00 -999 ? >ARG~C 171 37.00 4.34 4.62 34.17 3.38 3.34 35.58 3.86 3.98 2 0 1000.00 -999 ? >ASP~C 172 36.52 -1.32 8.27 38.14 -1.39 6.89 37.33 -1.36 7.58 2 0 1000.00 -999 ? >LEU~C 173 31.91 0.16 11.05 30.07 -0.34 11.85 30.99 -0.09 11.45 3 0 1000.00 -999 ? >LEU~C 174 31.43 3.12 6.91 30.33 4.64 6.11 30.88 3.88 6.51 3 0 1000.00 -999 ? >SER~C 175 31.37 -0.64 4.41 33.64 -0.52 4.53 32.50 -0.58 4.47 2 0 1000.00 -999 ? >ASP~C 176 31.26 -4.26 7.57 33.25 -4.80 7.17 32.26 -4.53 7.37 2 0 1000.00 -999 ? >SER~C 177 27.32 -2.54 7.76 25.55 -2.86 9.45 26.43 -2.70 8.61 2 0 1000.00 -999 ? >PHE~C 178 25.23 2.64 5.46 25.08 5.43 5.20 25.16 4.04 5.33 3 0 1000.00 -999 ? >ASP~C 179 21.81 -0.55 9.07 20.75 -0.44 7.23 21.28 -0.49 8.15 2 0 1000.00 -999 ? >ASP~C 180 26.35 -1.41 12.17 25.42 -3.34 12.47 25.89 -2.38 12.32 2 0 1000.00 -999 ? >ALA~C 181 27.31 2.80 11.17 27.99 3.05 9.95 27.65 2.92 10.56 2 0 1000.00 -999 ? >LEU~C 182 22.95 4.34 10.31 21.47 5.84 10.08 22.21 5.09 10.20 3 0 1000.00 -999 ? >ALA~C 183 23.03 3.41 14.58 22.76 1.96 14.92 22.90 2.68 14.75 2 0 1000.00 -999 ? >GLU~C 184 27.95 2.55 16.52 29.73 1.40 16.06 28.84 1.97 16.29 2 0 1000.00 -999 ? >ALA~C 185 26.14 7.82 14.44 25.95 8.07 12.94 26.04 7.94 13.69 2 0 1000.00 -999 ? >MET?C 186 22.75 8.15 15.96 19.50 9.26 15.56 21.13 8.70 15.76 2 0 1000.00 -999 ? >LYS~C 187 23.73 7.38 19.46 26.58 3.76 22.92 25.15 5.57 21.19 2 0 1000.00 -999 ? >LEU~C 188 27.77 10.06 18.27 29.60 8.85 18.36 28.69 9.46 18.32 3 0 1000.00 -999 ? >ALA~C 189 24.17 12.53 17.41 23.24 12.31 16.36 23.71 12.42 16.88 2 0 1000.00 -999 ? >LYS~C 190 22.03 12.39 20.61 19.01 13.73 17.77 20.52 13.06 19.19 2 0 1000.00 -999 ? >SER~C 191 24.78 12.71 23.15 26.76 11.77 22.32 25.77 12.24 22.73 2 0 1000.00 -999 ? >ARG~C 192 27.24 14.86 28.69 24.70 15.36 30.51 25.97 15.11 29.60 2 0 1000.00 -999 ? >GLU~C 193 31.50 13.16 23.07 33.27 13.04 21.89 32.38 13.10 22.48 2 0 1000.00 -999 ? >ALA~C 194 27.97 16.31 19.55 27.09 15.39 18.73 27.53 15.85 19.14 2 0 1000.00 -999 ? >ARG~C 195 25.36 21.42 24.49 23.05 21.39 26.59 24.21 21.40 25.54 2 0 1000.00 -999 ? >HIS.C 196 30.92 20.51 19.07 31.67 18.81 18.08 31.29 19.66 18.58 3 0 1000.00 -999 ? >LEU.C 197 27.51 19.34 15.67 29.31 18.21 15.03 28.41 18.78 15.35 3 0 1000.00 -999 ? >PRO.C 198 27.08 22.88 12.38 25.66 22.35 14.18 26.37 22.61 13.28 3 0 1000.00 -999 ? >GLY.C 199 21.56 21.37 14.16 22.06 21.27 14.82 21.81 21.32 14.49 1 0 1000.00 -999 ? >TRP.C 200 23.99 17.34 19.37 22.22 18.21 22.78 23.11 17.77 21.07 3 0 1000.00 -999 ? >CSS.C 201 19.26 17.90 18.63 17.05 17.36 17.28 18.15 17.63 17.95 2 0 1000.00 -999 ? >GLY.C 202 19.57 15.99 21.91 19.49 16.72 22.00 19.53 16.35 21.96 1 0 1000.00 -999 ? >VAL.C 203 18.60 16.12 25.63 17.57 14.61 26.96 18.08 15.37 26.29 3 0 1000.00 -999 ? >GLU.C 204 19.65 21.08 25.96 18.31 22.81 25.63 18.98 21.95 25.80 2 0 1000.00 -999 ? >GLU.D 6 21.94 30.58 30.59 23.05 28.74 30.91 22.49 29.66 30.75 2 0 1000.00 -999 ? >PRO.D 7 26.71 34.57 27.42 26.53 33.71 29.47 26.62 34.14 28.45 3 0 1000.00 -999 ? >ARG.D 8 28.74 31.73 34.79 26.57 31.44 36.93 27.65 31.59 35.86 2 0 1000.00 -999 ? >LEU^D 9 32.34 38.30 33.77 33.39 40.18 33.37 32.87 39.24 33.57 3 0 1000.00 -999 ? >SER^D 10 36.05 36.19 33.77 36.38 34.33 32.32 36.21 35.26 33.04 2 0 1000.00 -999 ? >ARG^D 11 41.00 40.93 34.56 41.40 40.03 37.50 41.20 40.48 36.03 2 0 1000.00 -999 ? >ILE^D 12 42.80 35.24 30.72 41.56 34.78 29.93 42.18 35.01 30.33 3 0 1000.00 -999 ? >ALA^D 13 46.42 37.20 31.67 47.61 36.43 32.24 47.02 36.82 31.95 2 0 1000.00 -999 ? >ILE.D 14 46.61 39.79 27.47 46.96 40.27 26.85 46.78 40.03 27.16 3 0 1000.00 -999 ? >ASP.D 15 51.12 35.99 28.65 51.12 37.43 30.24 51.12 36.71 29.45 2 0 1000.00 -999 ? >LYS.D 16 47.80 33.17 28.40 51.73 33.20 31.65 49.77 33.19 30.02 2 0 1000.00 -999 ? >LEU.D 17 44.72 35.52 25.41 42.69 36.26 25.34 43.70 35.89 25.38 3 0 1000.00 -999 ? >ARG.D 18 47.30 28.81 21.83 49.17 26.99 23.50 48.24 27.90 22.67 2 0 1000.00 -999 ? >PRO.D 19 47.64 34.32 19.36 45.54 33.97 19.82 46.59 34.14 19.59 3 0 1000.00 -999 ? >THR.D 20 43.14 33.10 16.20 41.03 32.91 16.67 42.08 33.00 16.44 2 0 1000.00 -999 ? >GLN.D 21 44.12 37.34 13.98 42.61 38.79 13.68 43.36 38.06 13.83 2 0 1000.00 -999 ? >ILE.D 22 48.86 34.97 11.09 49.66 33.93 10.47 49.26 34.45 10.78 3 0 1000.00 -999 ? >ALA^D 23 48.28 39.43 11.38 48.71 39.67 9.96 48.49 39.55 10.67 2 0 1000.00 -999 ? >VAL^D 24 46.97 42.75 12.50 47.35 42.60 14.65 47.16 42.67 13.57 3 0 1000.00 -999 ? >GLY~D 25 47.56 46.23 11.08 47.55 46.02 11.93 47.55 46.13 11.51 1 0 1000.00 -999 ? >PHE~D 26 52.17 46.55 13.79 53.21 44.32 15.02 52.69 45.44 14.41 3 0 1000.00 -999 ? >ARG~D 27 47.88 54.27 10.03 44.78 54.04 10.11 46.33 54.16 10.07 2 0 1000.00 -999 ? >GLU~D 28 43.11 49.54 13.56 41.64 48.31 12.47 42.38 48.93 13.02 2 0 1000.00 -999 ? >VAL~D 29 47.16 49.10 16.86 48.02 47.18 17.43 47.59 48.14 17.14 3 0 1000.00 -999 ? >GLU~D 30 51.50 52.14 15.85 52.78 51.44 17.45 52.14 51.79 16.65 2 0 1000.00 -999 ? >LEU~D 31 44.96 54.21 15.80 44.93 55.76 14.26 44.94 54.99 15.03 3 0 1000.00 -999 ? >LYS~D 32 43.99 52.28 19.56 40.46 48.65 16.60 42.22 50.47 18.08 2 0 1000.00 -999 ? >ARG~D 33 49.97 50.64 22.07 53.05 51.10 21.88 51.51 50.87 21.97 2 0 1000.00 -999 ? >LYS~D 34 46.95 56.81 21.48 51.34 59.07 18.13 49.15 57.94 19.81 2 0 1000.00 -999 ? >GLU~D 35 42.31 56.67 19.37 40.59 56.52 18.10 41.45 56.60 18.74 2 0 1000.00 -999 ? >TRP~D 36 46.02 52.79 26.51 43.67 51.03 29.16 44.84 51.91 27.83 3 0 1000.00 -999 ? >ARG~D 37 49.04 56.01 25.34 51.60 56.25 23.64 50.32 56.13 24.49 2 0 1000.00 -999 ? >GLU.D 38 45.17 60.88 27.18 45.54 60.08 25.20 45.36 60.48 26.19 2 0 1000.00 -999 ? >THR.D 39 40.68 57.05 29.88 39.43 56.67 28.09 40.06 56.86 28.99 2 0 1000.00 -999 ? >LEU.D 48 33.89 50.15 37.64 32.00 51.04 38.35 32.94 50.60 37.99 3 0 1000.00 -999 ? >GLY.D 49 33.98 49.66 32.87 34.64 49.25 33.06 34.31 49.45 32.96 1 0 1000.00 -999 ? >ASN.D 50 37.87 46.96 32.05 39.47 47.84 33.10 38.67 47.40 32.57 2 0 1000.00 -999 ? >HIS.D 51 38.30 47.52 27.04 38.89 49.52 27.15 38.60 48.52 27.09 3 0 1000.00 -999 ? >ILE^D 52 33.87 42.11 27.99 32.79 42.13 28.45 33.33 42.12 28.22 3 0 1000.00 -999 ? >VAL^D 53 36.46 40.47 24.85 38.54 40.31 24.28 37.50 40.39 24.57 3 0 1000.00 -999 ? >PRO^D 54 34.73 38.72 21.34 35.21 38.00 23.43 34.97 38.36 22.39 3 0 1000.00 -999 ? >VAL^D 55 36.63 34.10 23.85 37.83 33.76 25.56 37.23 33.93 24.71 3 0 1000.00 -999 ? >VAL^D 56 36.09 30.36 23.06 35.85 29.30 21.16 35.97 29.83 22.11 3 0 1000.00 -999 ? >ALA^D 57 37.03 27.72 25.65 36.24 27.26 26.78 36.63 27.49 26.22 2 0 1000.00 -999 ? >GLY.D 58 39.37 25.37 23.89 39.32 25.26 24.67 39.35 25.31 24.28 1 0 1000.00 -999 ? >PRO.D 59 40.92 21.80 22.08 40.73 22.63 24.15 40.83 22.22 23.12 3 0 1000.00 -999 ? >LYS.D 60 42.97 21.97 27.62 44.58 17.56 25.80 43.77 19.77 26.71 2 0 1000.00 -999 ? >ASP.D 61 41.87 25.13 31.17 41.45 23.31 32.30 41.66 24.22 31.73 2 0 1000.00 -999 ? >ARG.D 62 45.75 27.11 27.39 48.60 28.24 27.64 47.17 27.68 27.51 2 0 1000.00 -999 ? >ALA^D 63 41.13 30.35 25.83 40.83 31.28 26.90 40.98 30.82 26.36 2 0 1000.00 -999 ? >TYR^D 64 41.68 29.30 21.43 43.46 27.23 21.81 42.57 28.26 21.62 3 0 1000.00 -999 ? >LEU^D 65 41.59 36.20 21.26 41.17 38.29 21.58 41.38 37.25 21.42 3 0 1000.00 -999 ? >ILE.D 66 36.25 34.96 19.32 36.30 34.09 18.25 36.27 34.52 18.79 3 0 1000.00 -999 ? >ASP.D 67 36.62 39.76 17.12 36.88 39.91 15.01 36.75 39.83 16.07 2 0 1000.00 -999 ? >HIS~D 68 37.48 42.53 19.84 35.46 43.11 19.85 36.47 42.82 19.85 3 0 1000.00 -999 ? >HIS~D 69 43.21 38.86 17.34 42.71 36.85 17.72 42.96 37.85 17.53 3 0 1000.00 -999 ? >HIS~D 70 43.45 45.29 14.61 43.82 44.72 12.62 43.63 45.00 13.62 3 0 1000.00 -999 ? >LEU~D 71 41.23 45.96 20.97 40.26 46.80 22.74 40.75 46.38 21.86 3 0 1000.00 -999 ? >VAL~D 72 44.36 43.31 22.72 43.54 41.39 23.19 43.95 42.35 22.96 3 0 1000.00 -999 ? >LEU~D 73 48.04 43.78 19.58 50.21 43.50 19.06 49.13 43.64 19.32 3 0 1000.00 -999 ? >ALA~D 74 47.27 47.61 22.05 46.13 48.55 21.56 46.70 48.08 21.80 2 0 1000.00 -999 ? >LEU~D 75 45.34 45.77 26.21 43.57 47.08 26.31 44.46 46.43 26.26 3 0 1000.00 -999 ? >SER~D 76 49.42 44.25 25.86 50.60 42.18 25.32 50.01 43.22 25.59 2 0 1000.00 -999 ? >LYS~D 77 51.69 47.11 24.62 53.68 44.89 19.25 52.69 46.00 21.93 2 0 1000.00 -999 ? >GLU.D 78 49.06 51.00 25.82 50.38 52.62 25.44 49.72 51.81 25.63 2 0 1000.00 -999 ? >GLY.D 79 51.44 46.92 29.84 50.71 47.10 29.63 51.08 47.01 29.73 1 0 1000.00 -999 ? >VAL.D 80 47.89 45.87 30.70 45.89 46.81 30.71 46.89 46.34 30.70 3 0 1000.00 -999 ? >GLU.D 81 48.86 41.17 34.31 49.00 41.39 36.42 48.93 41.28 35.37 2 0 1000.00 -999 ? >HIS^D 82 44.89 40.19 34.68 46.15 39.56 36.23 45.52 39.88 35.45 3 0 1000.00 -999 ? >VAL^D 83 41.38 41.54 30.36 41.14 41.38 28.18 41.26 41.46 29.27 3 0 1000.00 -999 ? >LEU^D 84 36.59 41.71 31.32 36.49 42.83 33.18 36.54 42.27 32.25 3 0 1000.00 -999 ? >THR^D 85 36.36 38.02 28.72 38.03 36.80 29.13 37.19 37.41 28.92 2 0 1000.00 -999 ? >SER^D 86 33.13 36.36 27.94 30.81 36.76 27.60 31.97 36.56 27.77 2 0 1000.00 -999 ? >GLU^D 87 32.67 30.26 27.66 33.22 28.58 28.84 32.94 29.42 28.25 2 0 1000.00 -999 ? >VAL^D 88 30.84 32.44 24.11 31.24 34.16 22.67 31.04 33.30 23.39 3 0 1000.00 -999 ? >ALA^D 89 31.53 28.82 23.05 31.62 28.63 21.51 31.57 28.72 22.28 2 0 1000.00 -999 ? >LYS^D 90 32.72 25.68 24.77 33.74 25.33 30.38 33.23 25.51 27.58 2 0 1000.00 -999 ? >PHE.D 91 34.47 24.47 20.54 32.73 25.94 18.89 33.60 25.21 19.72 3 0 1000.00 -999 ? >SER.D 92 36.72 21.69 25.49 35.89 23.19 27.21 36.31 22.44 26.35 2 0 1000.00 -999 ? >HIS.D 93 33.14 18.42 23.99 32.00 19.48 22.60 32.57 18.95 23.29 3 0 1000.00 -999 ? >LEU.D 94 37.18 19.07 20.56 35.45 19.79 19.37 36.31 19.43 19.96 3 0 1000.00 -999 ? >GLY~D 95 40.78 16.71 20.74 40.33 17.36 20.50 40.56 17.03 20.62 1 0 1000.00 -999 ? >LYS~D 96 43.19 19.31 19.33 48.24 19.20 21.92 45.71 19.26 20.63 2 0 1000.00 -999 ? >ASP~D 97 43.46 16.88 15.29 44.94 16.92 13.78 44.20 16.90 14.54 2 0 1000.00 -999 ? >GLU~D 98 37.09 17.41 16.18 35.83 15.94 16.98 36.46 16.67 16.58 2 0 1000.00 -999 ? >PHE~D 99 39.98 23.44 19.13 39.96 26.22 19.70 39.97 24.83 19.41 3 0 1000.00 -999 ? >TRP~D 100 44.28 23.12 16.05 44.12 27.04 16.69 44.20 25.08 16.37 3 0 1000.00 -999 ? >SER~D 101 38.95 21.82 12.20 37.56 20.04 11.49 38.26 20.93 11.85 2 0 1000.00 -999 ? >VAL~D 102 35.72 22.92 13.94 34.50 22.30 15.66 35.11 22.61 14.80 3 0 1000.00 -999 ? >MET?D 103 37.25 26.37 14.43 37.44 27.91 17.48 37.35 27.14 15.95 2 0 1000.00 -999 ? >ASP~D 104 38.81 25.73 9.90 39.27 26.38 7.96 39.04 26.05 8.93 2 0 1000.00 -999 ? >HIS~D 105 33.44 23.10 9.41 33.10 21.69 7.91 33.27 22.39 8.66 3 0 1000.00 -999 ? >ARG~D 106 31.56 26.03 14.82 29.20 26.21 16.69 30.38 26.12 15.75 2 0 1000.00 -999 ? >ASN.D 107 34.36 31.49 9.52 34.35 30.36 7.67 34.36 30.92 8.60 2 0 1000.00 -999 ? >LEU.D 108 36.15 31.03 15.25 34.07 31.03 15.93 35.11 31.03 15.59 3 0 1000.00 -999 ? >ILE.D 109 40.99 30.13 12.84 40.79 28.57 13.19 40.89 29.35 13.02 3 0 1000.00 -999 ? >TYR.D 110 41.79 35.63 8.65 42.03 36.71 6.07 41.91 36.17 7.36 3 0 1000.00 -999 ? >PRO.D 111 43.71 30.02 8.46 44.52 31.99 9.23 44.11 31.01 8.84 3 0 1000.00 -999 ? >PHE.D 112 44.56 34.13 5.07 42.73 32.49 3.64 43.64 33.31 4.36 3 0 1000.00 -999 ? >ASP.D 113 51.23 35.10 6.75 51.53 35.23 4.62 51.38 35.17 5.69 2 0 1000.00 -999 ? >ALA.D 114 50.98 39.36 6.64 52.22 40.02 7.31 51.60 39.69 6.98 2 0 1000.00 -999 ? >GLN.D 115 53.80 38.20 2.76 54.65 36.71 4.09 54.23 37.46 3.42 2 0 1000.00 -999 ? >GLY.D 116 47.60 37.37 2.36 48.26 36.84 2.51 47.93 37.11 2.44 1 0 1000.00 -999 ? >LEU.D 117 50.50 33.62 1.77 51.46 33.15 -0.15 50.98 33.38 0.81 3 0 1000.00 -999 ? >ARG.D 118 43.94 28.53 2.82 41.33 28.93 4.52 42.64 28.73 3.67 2 0 1000.00 -999 ? >ARG.D 119 50.93 31.16 5.40 53.82 30.64 6.18 52.38 30.90 5.79 2 0 1000.00 -999 ? >GLN~D 120 49.36 23.94 7.03 50.59 22.30 7.42 49.97 23.12 7.23 2 0 1000.00 -999 ? >SER~D 121 46.45 26.33 11.45 44.57 24.77 11.03 45.51 25.55 11.24 2 0 1000.00 -999 ? >GLY~D 122 49.62 25.08 13.13 49.42 25.80 12.75 49.52 25.44 12.94 1 0 1000.00 -999 ? >ASP~D 123 51.51 28.80 10.65 52.83 27.45 9.69 52.17 28.12 10.17 2 0 1000.00 -999 ? >ILE~D 124 47.32 30.29 14.62 45.85 30.75 14.58 46.59 30.52 14.60 3 0 1000.00 -999 ? >PRO.D 125 50.16 34.08 15.90 50.56 31.94 16.43 50.36 33.01 16.17 3 0 1000.00 -999 ? >LYS.D 126 50.24 31.15 20.60 51.10 26.58 18.29 50.67 28.87 19.44 2 0 1000.00 -999 ? >ASN~D 127 52.13 34.69 22.50 52.76 33.87 24.36 52.44 34.28 23.43 2 0 1000.00 -999 ? >ILE~D 128 48.72 39.06 22.07 47.73 39.18 21.30 48.23 39.12 21.68 3 0 1000.00 -999 ? >HIS~D 129 54.59 37.99 22.67 55.71 36.23 22.89 55.15 37.11 22.78 3 0 1000.00 -999 ? >ASP~D 130 53.90 35.88 17.91 55.41 35.17 19.13 54.66 35.53 18.52 2 0 1000.00 -999 ? >LEU~D 131 49.85 39.76 16.33 47.91 38.80 16.63 48.88 39.28 16.48 3 0 1000.00 -999 ? >GLU^D 132 53.81 38.03 10.94 53.54 36.67 9.21 53.67 37.35 10.07 2 0 1000.00 -999 ? >ASP^D 133 53.08 44.40 10.88 52.39 46.39 10.43 52.74 45.40 10.65 2 0 1000.00 -999 ? >ASP~D 134 48.57 42.45 7.54 47.91 42.53 5.51 48.24 42.49 6.53 2 0 1000.00 -999 ? >PRO~D 135 52.04 45.99 5.27 50.19 46.26 6.58 51.12 46.12 5.92 3 0 1000.00 -999 ? >PHE~D 136 48.01 45.98 1.84 49.77 46.87 -0.11 48.89 46.43 0.86 3 0 1000.00 -999 ? >ARG~D 137 42.91 44.27 8.71 41.04 45.66 10.72 41.98 44.96 9.72 2 0 1000.00 -999 ? >SER~D 138 45.75 48.99 8.44 47.39 49.19 10.25 46.57 49.09 9.35 2 0 1000.00 -999 ? >LEU~D 139 45.59 50.18 3.75 45.85 51.81 2.21 45.72 50.99 2.98 3 0 1000.00 -999 ? >ALA~D 140 41.65 48.71 5.07 41.59 47.25 5.08 41.62 47.98 5.07 2 0 1000.00 -999 ? >GLY~D 141 40.90 49.90 8.57 41.13 50.32 7.89 41.01 50.11 8.23 1 0 1000.00 -999 ? >ALA~D 142 41.65 53.53 7.65 42.98 54.19 7.33 42.31 53.86 7.49 2 0 1000.00 -999 ? >LEU~D 143 39.85 52.02 3.34 38.56 52.34 1.55 39.20 52.18 2.44 3 0 1000.00 -999 ? >ARG~D 144 34.73 49.76 8.85 35.71 50.47 11.71 35.22 50.11 10.28 2 0 1000.00 -999 ? >MET?D 145 37.00 54.86 8.61 39.35 54.07 12.01 38.18 54.47 10.31 2 0 1000.00 -999 ? >ALA~D 146 37.13 57.37 5.77 38.21 57.38 4.74 37.67 57.37 5.25 2 0 1000.00 -999 ? >GLY.D 147 33.78 55.93 4.68 34.48 55.84 4.26 34.13 55.88 4.47 1 0 1000.00 -999 ? >GLY.D 148 34.96 54.12 1.56 34.53 53.73 2.14 34.75 53.93 1.85 1 0 1000.00 -999 ? >TYR.D 149 34.84 49.27 3.02 36.80 48.38 4.78 35.82 48.82 3.90 3 0 1000.00 -999 ? >ALA.D 150 30.82 49.82 5.29 29.38 50.01 4.89 30.10 49.92 5.09 2 0 1000.00 -999 ? >LYS.D 151 30.72 47.42 8.27 29.47 49.17 13.69 30.09 48.30 10.98 2 0 1000.00 -999 ? >VAL.D 152 28.83 44.29 7.51 29.45 43.60 5.52 29.14 43.95 6.51 3 0 1000.00 -999 ? >ILE.D 153 26.57 40.47 9.39 25.18 40.48 9.84 25.88 40.48 9.62 3 0 1000.00 -999 ? >ILE.D 154 30.71 39.24 5.72 30.03 38.23 4.92 30.37 38.73 5.32 3 0 1000.00 -999 ? >PRO.D 155 31.88 35.75 8.78 32.92 37.75 8.70 32.40 36.75 8.74 3 0 1000.00 -999 ? >PHE~D 156 38.05 37.26 9.19 38.29 35.61 11.46 38.17 36.44 10.32 3 0 1000.00 -999 ? >SER~D 157 35.64 42.01 5.85 33.58 42.17 6.86 34.61 42.09 6.36 2 0 1000.00 -999 ? >GLU~D 158 38.37 45.79 8.54 36.58 45.17 9.44 37.48 45.48 8.99 2 0 1000.00 -999 ? >PHE~D 159 42.04 40.27 7.13 44.19 40.51 8.98 43.12 40.39 8.05 3 0 1000.00 -999 ? >GLY~D 160 38.97 40.94 2.22 39.30 41.69 2.53 39.14 41.31 2.38 1 0 1000.00 -999 ? >TRP~D 161 36.34 45.62 2.36 35.95 48.03 -0.69 36.15 46.83 0.83 3 0 1000.00 -999 ? >ALA~D 162 43.19 44.22 2.58 43.84 43.67 3.84 43.52 43.95 3.21 2 0 1000.00 -999 ? >ASP~D 163 42.69 40.11 0.03 43.13 38.93 -1.65 42.91 39.52 -0.81 2 0 1000.00 -999 ? >PHE~D 164 40.18 45.06 -3.86 39.35 46.93 -5.85 39.77 46.00 -4.85 3 0 1000.00 -999 ? >LEU~D 165 44.20 47.45 -0.83 42.71 48.92 -0.33 43.46 48.18 -0.58 3 0 1000.00 -999 ? >ARG~D 166 48.21 41.11 0.08 46.68 41.27 2.73 47.45 41.19 1.41 2 0 1000.00 -999 ? >ARG.D 167 44.55 40.47 -5.57 45.03 37.66 -4.39 44.79 39.07 -4.98 2 0 1000.00 -999 ? >ARG.D 168 42.81 46.59 -7.66 41.71 43.68 -7.63 42.26 45.14 -7.65 2 0 1000.00 -999 ? >ILE.D 169 48.01 50.21 -3.56 47.29 51.33 -3.04 47.65 50.77 -3.30 3 0 1000.00 -999 ? >ASP.D 170 53.54 48.93 -5.40 55.01 50.33 -4.83 54.28 49.63 -5.12 2 0 1000.00 -999 ? >ARG~D 171 54.40 46.00 2.13 56.33 47.91 3.70 55.36 46.96 2.92 2 0 1000.00 -999 ? >ASP~D 172 56.92 51.81 -2.30 58.74 50.83 -2.39 57.83 51.32 -2.34 2 0 1000.00 -999 ? >LEU~D 173 52.08 53.74 -2.13 51.68 55.80 -2.75 51.88 54.77 -2.44 3 0 1000.00 -999 ? >LEU~D 174 51.64 50.98 2.43 49.68 50.56 3.13 50.66 50.77 2.78 3 0 1000.00 -999 ? >SER~D 175 55.21 52.62 4.28 57.11 51.86 2.68 56.16 52.24 3.48 2 0 1000.00 -999 ? >ASP~D 176 57.52 55.89 1.61 59.37 54.99 2.14 58.44 55.44 1.88 2 0 1000.00 -999 ? >SER~D 177 53.21 57.82 2.56 52.62 58.03 0.22 52.91 57.92 1.39 2 0 1000.00 -999 ? >PHE~D 178 48.83 55.77 6.15 47.00 53.85 6.78 47.91 54.81 6.46 3 0 1000.00 -999 ? >ASP~D 179 47.62 60.57 3.34 47.84 60.43 5.42 47.73 60.50 4.38 2 0 1000.00 -999 ? >ASP~D 180 49.94 58.90 -1.45 50.72 60.71 -2.21 50.33 59.81 -1.83 2 0 1000.00 -999 ? >ALA~D 181 47.90 55.35 -0.10 48.70 54.51 0.89 48.30 54.93 0.40 2 0 1000.00 -999 ? >LEU~D 182 44.31 57.13 2.76 42.61 56.60 3.96 43.46 56.87 3.36 3 0 1000.00 -999 ? >ALA~D 183 43.62 58.30 -1.31 44.26 59.67 -1.68 43.94 58.98 -1.50 2 0 1000.00 -999 ? >GLU~D 184 45.92 54.65 -5.79 47.96 54.85 -6.55 46.94 54.75 -6.17 2 0 1000.00 -999 ? >ALA~D 185 42.38 53.40 -2.04 42.72 53.15 -0.58 42.55 53.28 -1.31 2 0 1000.00 -999 ? >MET?D 186 39.42 55.62 -2.03 36.79 56.72 -0.10 38.10 56.17 -1.06 2 0 1000.00 -999 ? >LYS~D 187 39.20 56.17 -5.77 42.91 57.84 -10.03 41.06 57.00 -7.90 2 0 1000.00 -999 ? >LEU~D 188 40.63 51.51 -5.39 42.33 50.88 -6.73 41.48 51.19 -6.06 3 0 1000.00 -999 ? >ALA~D 189 36.77 51.55 -3.32 36.84 51.83 -1.84 36.80 51.69 -2.58 2 0 1000.00 -999 ? >LYS~D 190 34.26 53.65 -5.32 33.24 55.51 -0.76 33.75 54.58 -3.04 2 0 1000.00 -999 ? >SER~D 191 35.04 52.14 -8.72 36.97 50.73 -8.80 36.01 51.44 -8.76 2 0 1000.00 -999 ? >ARG~D 192 30.84 50.19 -13.42 27.95 50.90 -14.40 29.40 50.54 -13.91 2 0 1000.00 -999 ? >GLU~D 193 38.47 47.92 -11.21 39.03 45.99 -11.87 38.75 46.96 -11.54 2 0 1000.00 -999 ? >ALA~D 194 35.44 46.83 -6.09 35.85 47.80 -5.07 35.64 47.32 -5.58 2 0 1000.00 -999 ? >ARG~D 195 30.72 45.26 -10.49 32.40 44.65 -13.09 31.56 44.96 -11.79 2 0 1000.00 -999 ? >HIS.D 196 34.44 41.79 -6.08 36.46 42.18 -5.77 35.45 41.98 -5.92 3 0 1000.00 -999 ? >LEU.D 197 34.62 44.39 -1.69 36.59 43.65 -2.11 35.61 44.02 -1.90 3 0 1000.00 -999 ? >PRO.D 198 33.17 42.36 2.24 31.77 43.20 0.65 32.47 42.78 1.45 3 0 1000.00 -999 ? >GLY.D 199 30.30 46.83 2.10 30.36 46.61 1.31 30.33 46.72 1.70 1 0 1000.00 -999 ? >TRP.D 200 32.48 48.85 -4.27 29.50 49.97 -6.55 30.99 49.41 -5.41 3 0 1000.00 -999 ? >CSS.D 201 29.34 51.65 -1.62 28.63 52.73 0.80 28.98 52.19 -0.41 2 0 1000.00 -999 ? >GLY.D 202 30.15 53.13 -4.97 29.44 52.78 -4.82 29.80 52.96 -4.90 1 0 1000.00 -999 ? >VAL.D 203 27.81 54.38 -7.69 27.53 56.41 -8.53 27.67 55.40 -8.11 3 0 1000.00 -999 ? >GLU.D 204 24.45 50.44 -7.19 22.49 49.84 -6.31 23.47 50.14 -6.75 2 0 1000.00 -999 ? >PRO.E 7 16.29 94.02 -28.77 18.33 95.04 -29.00 17.31 94.53 -28.88 3 0 1000.00 -999 ? >ARG.E 8 17.50 98.91 -27.63 15.32 97.20 -26.06 16.41 98.06 -26.85 2 0 1000.00 -999 ? >LEU.E 9 22.11 93.50 -22.91 22.25 92.00 -24.42 22.18 92.75 -23.66 3 0 1000.00 -999 ? >SER.E 10 21.02 94.63 -19.12 19.60 96.34 -18.17 20.31 95.49 -18.64 2 0 1000.00 -999 ? >ARG^E 11 24.26 90.36 -14.63 26.81 91.26 -13.15 25.54 90.81 -13.89 2 0 1000.00 -999 ? >ILE^E 12 18.17 92.47 -13.87 17.95 93.49 -13.83 18.06 92.98 -13.85 3 0 1000.00 -999 ? >ALA^E 13 19.50 89.38 -10.51 19.87 89.78 -9.08 19.69 89.58 -9.79 2 0 1000.00 -999 ? >ILE.E 14 17.07 85.07 -10.83 17.32 84.41 -10.18 17.19 84.74 -10.51 3 0 1000.00 -999 ? >ASP~E 15 16.17 86.80 -5.85 18.05 87.67 -5.36 17.11 87.23 -5.60 2 0 1000.00 -999 ? >LYS~E 16 14.73 90.85 -8.26 15.92 92.72 -4.03 15.32 91.78 -6.14 2 0 1000.00 -999 ? >LEU~E 17 12.99 88.49 -12.16 14.02 88.53 -14.11 13.51 88.51 -13.14 3 0 1000.00 -999 ? >ARG.E 18 7.80 91.86 -8.01 8.11 93.85 -5.68 7.96 92.86 -6.85 2 0 1000.00 -999 ? >PRO.E 19 7.35 86.00 -9.99 7.24 87.55 -11.53 7.30 86.78 -10.76 3 0 1000.00 -999 ? >THR.E 20 3.82 87.55 -14.16 4.18 88.44 -16.09 4.00 88.00 -15.12 2 0 1000.00 -999 ? >GLN.E 21 3.83 82.83 -15.09 4.30 81.43 -16.63 4.06 82.13 -15.86 2 0 1000.00 -999 ? >ILE.E 22 -0.13 82.04 -10.01 -1.17 82.48 -9.34 -0.65 82.26 -9.68 3 0 1000.00 -999 ? >ALA^E 23 2.29 78.58 -11.68 0.96 77.72 -11.64 1.62 78.15 -11.66 2 0 1000.00 -999 ? >VAL^E 24 4.76 76.45 -13.68 6.52 77.70 -13.40 5.64 77.08 -13.54 3 0 1000.00 -999 ? >GLY~E 25 5.12 72.73 -14.49 5.70 73.35 -14.21 5.41 73.04 -14.35 1 0 1000.00 -999 ? >PHE~E 26 7.53 72.57 -9.37 7.27 74.61 -7.29 7.40 73.59 -8.33 3 0 1000.00 -999 ? >ARG~E 27 7.70 65.43 -15.59 8.70 63.99 -18.15 8.20 64.71 -16.87 2 0 1000.00 -999 ? >GLU~E 28 8.72 72.20 -19.06 6.99 71.93 -20.42 7.86 72.07 -19.74 2 0 1000.00 -999 ? >VAL~E 29 11.81 72.90 -14.47 11.43 74.30 -12.81 11.62 73.60 -13.64 3 0 1000.00 -999 ? >GLU~E 30 12.74 69.07 -11.08 14.31 70.11 -10.05 13.53 69.59 -10.57 2 0 1000.00 -999 ? >LEU~E 31 13.29 68.46 -18.09 12.17 66.61 -18.71 12.73 67.53 -18.40 3 0 1000.00 -999 ? >LYS~E 32 15.70 72.25 -17.57 12.34 74.73 -21.44 14.02 73.49 -19.50 2 0 1000.00 -999 ? >ARG~E 33 17.32 72.80 -11.25 16.97 71.81 -8.40 17.15 72.31 -9.82 2 0 1000.00 -999 ? >LYS~E 34 19.21 68.44 -15.89 18.38 62.88 -15.89 18.79 65.66 -15.89 2 0 1000.00 -999 ? >GLU~E 35 18.51 70.17 -21.27 16.40 70.09 -21.44 17.46 70.13 -21.35 2 0 1000.00 -999 ? >TRP~E 36 22.62 75.35 -14.84 24.39 77.78 -17.44 23.51 76.57 -16.14 3 0 1000.00 -999 ? >ARG~E 37 23.35 70.47 -12.16 21.10 68.71 -10.90 22.23 69.59 -11.53 2 0 1000.00 -999 ? >GLU~E 38 25.12 66.38 -17.63 23.21 66.95 -18.40 24.16 66.67 -18.02 2 0 1000.00 -999 ? >THR.E 39 26.31 71.76 -20.39 24.22 72.33 -20.15 25.27 72.04 -20.27 2 0 1000.00 -999 ? >ASN.E 50 24.58 83.95 -20.68 26.01 83.52 -19.18 25.30 83.73 -19.93 2 0 1000.00 -999 ? >HIS.E 51 20.07 81.07 -20.48 20.33 79.00 -20.70 20.20 80.04 -20.59 3 0 1000.00 -999 ? >ILE^E 52 18.43 87.37 -23.32 18.55 87.91 -24.40 18.49 87.64 -23.86 3 0 1000.00 -999 ? >VAL^E 53 14.94 86.61 -20.94 14.34 85.77 -19.06 14.64 86.19 -20.00 3 0 1000.00 -999 ? >PRO^E 54 10.95 87.68 -22.74 12.77 88.60 -21.84 11.86 88.14 -22.29 3 0 1000.00 -999 ? >VAL^E 55 11.47 91.85 -19.45 12.78 92.64 -17.90 12.13 92.24 -18.67 3 0 1000.00 -999 ? >VAL^E 56 8.99 94.68 -18.89 6.94 94.94 -19.66 7.96 94.81 -19.27 3 0 1000.00 -999 ? >ALA^E 57 9.96 97.81 -16.89 10.82 98.98 -17.30 10.39 98.39 -17.09 2 0 1000.00 -999 ? >GLY.E 58 7.26 98.40 -14.30 7.97 98.79 -14.14 7.61 98.59 -14.22 1 0 1000.00 -999 ? >PRO.E 59 4.59 99.50 -10.96 6.59 100.18 -11.83 5.59 99.84 -11.40 3 0 1000.00 -999 ? >LYS.E 60 9.51 101.59 -8.85 5.76 103.08 -5.82 7.63 102.34 -7.33 2 0 1000.00 -999 ? >ASP.E 61 13.82 100.80 -10.95 13.96 102.09 -12.62 13.89 101.44 -11.78 2 0 1000.00 -999 ? >ARG.E 62 11.24 95.83 -8.57 11.72 93.54 -6.48 11.48 94.68 -7.53 2 0 1000.00 -999 ? >ALA^E 63 11.49 94.45 -13.86 12.88 93.99 -14.19 12.18 94.22 -14.03 2 0 1000.00 -999 ? >TYR^E 64 6.99 93.38 -13.90 6.01 94.48 -11.52 6.50 93.93 -12.71 3 0 1000.00 -999 ? >LEU^E 65 9.77 87.42 -15.56 11.16 85.91 -16.34 10.46 86.67 -15.95 3 0 1000.00 -999 ? >ILE.E 66 7.14 88.37 -20.86 6.30 88.91 -20.51 6.72 88.64 -20.69 3 0 1000.00 -999 ? >ASP.E 67 7.97 84.22 -21.69 6.49 83.36 -22.85 7.23 83.79 -22.27 2 0 1000.00 -999 ? >HIS~E 68 11.65 82.60 -21.89 11.39 82.68 -23.98 11.52 82.64 -22.94 3 0 1000.00 -999 ? >HIS~E 69 7.50 82.94 -15.53 6.70 84.88 -15.34 7.10 83.91 -15.44 3 0 1000.00 -999 ? >HIS~E 70 8.48 76.43 -17.41 6.45 75.87 -17.29 7.47 76.15 -17.35 3 0 1000.00 -999 ? >LEU~E 71 14.21 79.35 -18.47 16.17 79.60 -19.17 15.19 79.47 -18.82 3 0 1000.00 -999 ? >VAL~E 72 14.30 81.32 -14.65 14.05 83.46 -14.60 14.17 82.39 -14.63 3 0 1000.00 -999 ? >LEU~E 73 11.81 78.43 -11.65 11.06 78.16 -9.53 11.44 78.30 -10.59 3 0 1000.00 -999 ? >ALA~E 74 15.60 76.33 -13.14 15.68 75.81 -14.55 15.64 76.07 -13.85 2 0 1000.00 -999 ? >LEU~E 75 18.56 80.08 -13.97 19.01 79.89 -16.11 18.79 79.99 -15.04 3 0 1000.00 -999 ? >SER~E 76 17.45 80.11 -9.74 16.12 81.11 -8.01 16.78 80.61 -8.88 2 0 1000.00 -999 ? >LYS~E 77 17.33 76.66 -8.27 11.50 74.00 -6.99 14.42 75.33 -7.63 2 0 1000.00 -999 ? >GLU~E 78 20.23 74.56 -11.70 20.98 72.61 -11.24 20.61 73.58 -11.47 2 0 1000.00 -999 ? >GLY.E 79 22.41 78.94 -7.89 22.04 79.04 -8.58 22.23 78.99 -8.23 1 0 1000.00 -999 ? >VAL.E 80 22.60 81.17 -11.03 22.77 80.83 -13.20 22.68 81.00 -12.11 3 0 1000.00 -999 ? >GLU.E 81 23.27 86.74 -8.23 24.38 87.33 -6.51 23.83 87.04 -7.37 2 0 1000.00 -999 ? >HIS^E 82 23.58 88.59 -11.68 24.41 89.68 -10.09 24.00 89.13 -10.89 3 0 1000.00 -999 ? >VAL^E 83 20.47 86.74 -16.05 18.49 85.96 -16.68 19.48 86.35 -16.37 3 0 1000.00 -999 ? >LEU^E 84 21.54 88.57 -20.45 23.80 88.69 -20.56 22.67 88.63 -20.50 3 0 1000.00 -999 ? >THR^E 85 17.57 90.85 -20.08 17.18 91.53 -18.08 17.37 91.19 -19.08 2 0 1000.00 -999 ? >SER^E 86 15.89 92.59 -22.87 14.98 92.26 -25.03 15.43 92.43 -23.95 2 0 1000.00 -999 ? >GLU^E 87 14.24 96.98 -20.34 14.00 99.06 -19.76 14.12 98.02 -20.05 2 0 1000.00 -999 ? >VAL^E 88 10.42 94.81 -24.63 9.78 92.75 -24.27 10.10 93.78 -24.45 3 0 1000.00 -999 ? >ALA^E 89 8.26 97.45 -23.04 6.74 97.11 -23.09 7.50 97.28 -23.06 2 0 1000.00 -999 ? >LYS^E 90 8.52 100.31 -20.60 13.33 101.46 -18.56 10.93 100.88 -19.58 2 0 1000.00 -999 ? >PHE.E 91 4.20 99.26 -19.14 3.40 98.00 -21.48 3.80 98.63 -20.31 3 0 1000.00 -999 ? >SER.E 92 7.53 103.02 -15.38 9.78 102.88 -16.34 8.65 102.95 -15.86 2 0 1000.00 -999 ? >HIS.E 93 4.89 106.19 -18.23 4.55 105.03 -19.94 4.72 105.61 -19.08 3 0 1000.00 -999 ? >LEU.E 94 1.59 103.18 -15.02 1.31 103.13 -17.16 1.45 103.15 -16.09 3 0 1000.00 -999 ? >GLY~E 95 0.71 103.51 -10.70 0.71 103.03 -11.40 0.71 103.27 -11.05 1 0 1000.00 -999 ? >LYS~E 96 0.32 99.87 -9.59 3.47 100.77 -6.08 1.90 100.32 -7.83 2 0 1000.00 -999 ? >ASP~E 97 -4.15 101.09 -9.91 -6.18 100.70 -9.85 -5.16 100.90 -9.88 2 0 1000.00 -999 ? >GLU~E 98 -3.15 102.69 -16.02 -3.04 104.63 -16.84 -3.10 103.66 -16.43 2 0 1000.00 -999 ? >PHE~E 99 2.27 97.86 -14.06 4.00 95.72 -14.63 3.14 96.79 -14.35 3 0 1000.00 -999 ? >TRP~E 100 -0.94 95.70 -10.51 1.35 92.66 -11.48 0.21 94.18 -11.00 3 0 1000.00 -999 ? >SER~E 101 -4.79 96.56 -16.04 -6.03 98.24 -17.17 -5.41 97.40 -16.60 2 0 1000.00 -999 ? >VAL~E 102 -2.59 97.30 -19.00 -1.52 99.11 -19.53 -2.05 98.21 -19.26 3 0 1000.00 -999 ? >MET?E 103 -0.51 94.19 -18.37 2.92 94.25 -17.91 1.20 94.22 -18.14 2 0 1000.00 -999 ? >ASP~E 104 -4.83 92.60 -17.39 -6.49 91.45 -17.75 -5.66 92.03 -17.57 2 0 1000.00 -999 ? >HIS~E 105 -6.66 96.06 -21.36 -8.67 96.37 -20.86 -7.66 96.22 -21.11 3 0 1000.00 -999 ? >ARG~E 106 0.49 95.71 -24.57 0.20 98.74 -25.15 0.34 97.23 -24.86 2 0 1000.00 -999 ? >ASN~E 107 -2.00 88.77 -23.33 -4.00 88.66 -23.83 -3.00 88.71 -23.58 2 0 1000.00 -999 ? >LEU.E 108 2.38 91.20 -20.68 3.09 91.80 -22.71 2.73 91.50 -21.70 3 0 1000.00 -999 ? >ILE.E 109 -0.34 89.14 -16.29 -0.86 90.07 -15.69 -0.60 89.61 -15.99 3 0 1000.00 -999 ? >TYR.E 110 -1.54 82.62 -17.67 -3.20 80.38 -18.14 -2.37 81.50 -17.90 3 0 1000.00 -999 ? >PRO.E 111 -4.54 86.66 -14.31 -3.00 85.05 -13.97 -3.77 85.86 -14.14 3 0 1000.00 -999 ? >PHE.E 112 -5.51 81.39 -15.09 -7.37 82.72 -16.74 -6.44 82.06 -15.91 3 0 1000.00 -999 ? >ASP.E 113 -4.13 79.08 -8.72 -5.91 78.05 -9.01 -5.02 78.56 -8.86 2 0 1000.00 -999 ? >ALA.E 114 -2.24 75.57 -10.19 -1.56 74.86 -9.10 -1.90 75.21 -9.65 2 0 1000.00 -999 ? >GLN.E 115 -6.18 74.22 -7.95 -4.81 72.59 -7.93 -5.50 73.41 -7.94 2 0 1000.00 -999 ? >GLY.E 116 -6.47 76.62 -13.33 -6.71 76.84 -12.60 -6.59 76.73 -12.97 1 0 1000.00 -999 ? >LEU.E 117 -9.21 78.84 -10.00 -10.77 77.28 -9.69 -9.99 78.06 -9.85 3 0 1000.00 -999 ? >ARG.E 118 -10.06 85.55 -14.56 -8.36 86.57 -16.99 -9.21 86.06 -15.78 2 0 1000.00 -999 ? >ARG.E 119 -7.10 82.31 -8.05 -6.02 82.04 -5.21 -6.56 82.17 -6.63 2 0 1000.00 -999 ? >GLN~E 120 -8.43 88.70 -6.56 -7.99 86.95 -5.24 -8.21 87.83 -5.90 2 0 1000.00 -999 ? >SER~E 121 -3.46 90.35 -9.81 -3.92 91.89 -11.63 -3.69 91.12 -10.72 2 0 1000.00 -999 ? >GLY~E 122 -2.46 90.64 -6.12 -2.64 89.98 -6.54 -2.55 90.31 -6.33 1 0 1000.00 -999 ? >ASP~E 123 -3.34 86.06 -6.66 -4.88 86.15 -5.34 -4.11 86.11 -6.00 2 0 1000.00 -999 ? >ILE~E 124 0.91 87.79 -9.75 1.04 88.01 -11.21 0.97 87.90 -10.48 3 0 1000.00 -999 ? >PRO.E 125 4.09 84.00 -7.76 3.31 85.97 -6.95 3.70 84.99 -7.36 3 0 1000.00 -999 ? >LYS.E 126 6.63 88.63 -6.14 5.88 90.27 -0.21 6.26 89.45 -3.18 2 0 1000.00 -999 ? >ASN~E 127 9.77 85.43 -4.64 10.01 86.80 -3.05 9.89 86.12 -3.84 2 0 1000.00 -999 ? >ILE~E 128 11.70 83.48 -9.21 11.93 84.42 -9.43 11.81 83.95 -9.32 3 0 1000.00 -999 ? >HIS~E 129 11.37 81.98 -3.19 11.04 83.12 -1.43 11.21 82.55 -2.31 3 0 1000.00 -999 ? >ASP~E 130 6.36 82.47 -4.18 7.48 82.98 -2.49 6.92 82.72 -3.34 2 0 1000.00 -999 ? >LEU~E 131 6.32 79.73 -9.45 6.62 81.13 -11.10 6.47 80.43 -10.28 3 0 1000.00 -999 ? >GLU^E 132 0.98 77.87 -6.28 -1.06 78.58 -6.51 -0.04 78.22 -6.39 2 0 1000.00 -999 ? >ASP^E 133 3.80 72.47 -8.65 4.45 70.79 -9.89 4.12 71.63 -9.27 2 0 1000.00 -999 ? >ASP~E 134 0.34 74.16 -13.04 -1.31 73.42 -14.26 -0.49 73.79 -13.65 2 0 1000.00 -999 ? >PRO~E 135 0.16 68.73 -11.28 1.30 70.02 -12.68 0.73 69.38 -11.98 3 0 1000.00 -999 ? >PHE~E 136 -3.09 68.67 -15.40 -4.32 66.62 -14.02 -3.70 67.64 -14.71 3 0 1000.00 -999 ? >ARG~E 137 2.31 74.92 -18.58 4.37 74.99 -20.87 3.34 74.96 -19.72 2 0 1000.00 -999 ? >SER~E 138 4.15 69.89 -17.23 5.37 69.87 -15.18 4.76 69.88 -16.21 2 0 1000.00 -999 ? >LEU~E 139 0.68 66.83 -18.56 -0.07 64.90 -19.00 0.30 65.86 -18.78 3 0 1000.00 -999 ? >ALA~E 140 0.98 69.78 -21.74 0.28 71.10 -21.45 0.63 70.44 -21.59 2 0 1000.00 -999 ? >GLY~E 141 4.62 70.54 -22.26 4.24 69.82 -22.25 4.43 70.18 -22.25 1 0 1000.00 -999 ? >ALA~E 142 5.57 66.88 -22.48 5.37 65.90 -21.36 5.47 66.39 -21.92 2 0 1000.00 -999 ? >LEU~E 143 1.27 66.90 -24.70 -0.31 65.98 -25.93 0.48 66.44 -25.32 3 0 1000.00 -999 ? >ARG~E 144 5.72 72.49 -27.99 7.16 72.60 -25.23 6.44 72.54 -26.61 2 0 1000.00 -999 ? >MET?E 145 7.29 67.51 -27.28 9.75 68.79 -24.28 8.52 68.15 -25.78 2 0 1000.00 -999 ? >ALA~E 146 5.92 64.12 -27.96 5.16 63.19 -27.00 5.54 63.66 -27.48 2 0 1000.00 -999 ? >GLY.E 147 4.20 65.61 -31.00 3.84 65.43 -30.33 4.02 65.52 -30.66 1 0 1000.00 -999 ? >GLY.E 148 0.67 65.81 -29.80 1.03 66.48 -30.06 0.85 66.14 -29.93 1 0 1000.00 -999 ? >TYR.E 149 -0.24 70.40 -29.21 0.71 71.37 -26.81 0.24 70.88 -28.01 3 0 1000.00 -999 ? >ALA.E 150 2.07 72.07 -33.16 1.58 72.42 -34.52 1.82 72.24 -33.84 2 0 1000.00 -999 ? >LYS.E 151 3.96 75.12 -31.92 9.92 74.36 -29.93 6.94 74.74 -30.93 2 0 1000.00 -999 ? >VAL.E 152 1.69 77.98 -32.90 -0.40 77.66 -32.83 0.65 77.82 -32.87 3 0 1000.00 -999 ? >ILE.E 153 2.41 82.75 -33.12 2.85 83.19 -34.44 2.63 82.97 -33.78 3 0 1000.00 -999 ? >ILE.E 154 -2.24 80.85 -29.89 -3.19 81.40 -30.20 -2.72 81.13 -30.04 3 0 1000.00 -999 ? >PRO.E 155 -1.14 85.21 -26.99 -0.29 83.14 -27.12 -0.72 84.17 -27.05 3 0 1000.00 -999 ? >PHE~E 156 -0.54 82.35 -21.94 0.60 84.64 -20.78 0.03 83.50 -21.36 3 0 1000.00 -999 ? >SER~E 157 -1.14 77.74 -25.89 0.03 76.57 -27.63 -0.56 77.16 -26.76 2 0 1000.00 -999 ? >GLU~E 158 2.86 74.87 -24.11 3.04 76.71 -25.38 2.95 75.79 -24.74 2 0 1000.00 -999 ? >PHE~E 159 -0.81 77.82 -18.88 1.06 77.80 -16.63 0.13 77.81 -17.75 3 0 1000.00 -999 ? >GLY~E 160 -4.94 75.92 -23.01 -4.33 75.41 -22.70 -4.63 75.67 -22.85 1 0 1000.00 -999 ? >TRP~E 161 -2.58 72.84 -26.37 -3.99 69.54 -27.90 -3.28 71.19 -27.13 3 0 1000.00 -999 ? >ALA~E 162 -3.06 72.07 -19.65 -2.18 72.83 -18.84 -2.62 72.45 -19.24 2 0 1000.00 -999 ? >ASP~E 163 -7.16 74.53 -19.03 -9.05 74.46 -18.06 -8.10 74.50 -18.55 2 0 1000.00 -999 ? >PHE~E 164 -8.04 69.47 -23.74 -8.95 67.35 -25.33 -8.50 68.41 -24.53 3 0 1000.00 -999 ? >LEU~E 165 -4.48 67.57 -19.97 -3.42 67.03 -21.89 -3.95 67.30 -20.93 3 0 1000.00 -999 ? >ARG~E 166 -7.12 72.23 -14.29 -4.55 73.58 -15.08 -5.83 72.91 -14.69 2 0 1000.00 -999 ? >ARG~E 167 -11.71 71.54 -18.52 -12.76 74.26 -17.51 -12.23 72.90 -18.02 2 0 1000.00 -999 ? >ARG.E 168 -10.73 65.86 -22.05 -12.24 68.48 -22.36 -11.49 67.17 -22.20 2 0 1000.00 -999 ? >ILE.E 169 -5.54 63.14 -17.48 -4.42 62.70 -18.24 -4.98 62.92 -17.86 3 0 1000.00 -999 ? >ASP~E 170 -7.51 60.66 -12.62 -7.14 60.87 -10.55 -7.32 60.76 -11.58 2 0 1000.00 -999 ? >ARG~E 171 -3.27 65.97 -8.37 -3.57 63.60 -6.27 -3.42 64.79 -7.32 2 0 1000.00 -999 ? >ASP~E 172 -4.18 59.40 -8.85 -5.06 60.17 -7.11 -4.62 59.78 -7.98 2 0 1000.00 -999 ? >LEU~E 173 -3.22 58.89 -14.17 -2.64 57.29 -15.56 -2.93 58.09 -14.86 3 0 1000.00 -999 ? >LEU~E 174 -0.67 63.35 -13.30 0.11 64.93 -14.37 -0.28 64.14 -13.83 3 0 1000.00 -999 ? >SER~E 175 1.50 61.34 -10.19 1.36 61.17 -7.74 1.43 61.25 -8.97 2 0 1000.00 -999 ? >ASP~E 176 0.39 56.53 -10.30 -0.52 56.72 -8.41 -0.06 56.62 -9.36 2 0 1000.00 -999 ? >SER~E 177 2.82 57.35 -13.91 3.20 55.48 -15.30 3.01 56.42 -14.61 2 0 1000.00 -999 ? >PHE~E 178 4.92 62.56 -16.61 4.80 64.98 -18.01 4.86 63.77 -17.31 3 0 1000.00 -999 ? >ASP~E 179 5.32 57.21 -19.26 7.24 58.15 -19.47 6.28 57.68 -19.36 2 0 1000.00 -999 ? >ASP~E 180 0.28 55.90 -17.38 0.93 53.85 -17.33 0.60 54.87 -17.36 2 0 1000.00 -999 ? >ALA~E 181 -0.70 60.17 -18.34 -0.64 61.17 -17.24 -0.67 60.67 -17.79 2 0 1000.00 -999 ? >LEU~E 182 2.79 61.19 -21.59 3.54 62.39 -23.32 3.17 61.79 -22.45 3 0 1000.00 -999 ? >ALA~E 183 -0.20 58.32 -23.33 0.15 56.83 -23.09 -0.02 57.57 -23.21 2 0 1000.00 -999 ? >GLU~E 184 -4.93 57.81 -20.61 -6.38 57.88 -19.01 -5.65 57.85 -19.81 2 0 1000.00 -999 ? >ALA~E 185 -2.92 62.74 -23.35 -1.81 63.57 -22.79 -2.37 63.15 -23.07 2 0 1000.00 -999 ? >MET?E 186 -1.63 61.56 -26.71 0.64 62.19 -28.81 -0.49 61.88 -27.76 2 0 1000.00 -999 ? >LYS~E 187 -4.90 59.70 -27.11 -6.04 55.37 -23.76 -5.47 57.53 -25.44 2 0 1000.00 -999 ? >LEU~E 188 -7.01 63.48 -24.90 -8.21 62.63 -23.31 -7.61 63.05 -24.10 3 0 1000.00 -999 ? >ALA~E 189 -4.83 64.95 -28.43 -3.35 65.08 -28.33 -4.09 65.02 -28.38 2 0 1000.00 -999 ? >LYS~E 190 -5.49 63.16 -31.71 -1.35 63.94 -34.17 -3.42 63.55 -32.94 2 0 1000.00 -999 ? >SER~E 191 -9.17 62.75 -30.90 -9.86 63.45 -28.74 -9.51 63.10 -29.82 2 0 1000.00 -999 ? >ARG~E 192 -14.33 64.01 -34.91 -15.64 64.75 -37.64 -14.99 64.38 -36.27 2 0 1000.00 -999 ? >GLU~E 193 -12.86 64.55 -26.51 -13.91 65.40 -24.81 -13.38 64.97 -25.66 2 0 1000.00 -999 ? >ALA~E 194 -9.46 68.51 -28.96 -8.07 68.04 -28.56 -8.76 68.28 -28.76 2 0 1000.00 -999 ? >ARG~E 195 -13.76 69.99 -33.95 -15.77 68.38 -32.27 -14.77 69.18 -33.11 2 0 1000.00 -999 ? >HIS.E 196 -11.50 73.13 -28.46 -11.21 72.14 -26.61 -11.35 72.63 -27.54 3 0 1000.00 -999 ? >LEU.E 197 -6.61 72.65 -28.49 -7.26 72.44 -26.33 -6.93 72.54 -27.41 3 0 1000.00 -999 ? >PRO.E 198 -4.35 77.05 -28.73 -4.64 75.39 -30.27 -4.49 76.22 -29.50 3 0 1000.00 -999 ? >GLY.E 199 -1.94 73.51 -32.93 -2.68 73.26 -32.77 -2.31 73.38 -32.85 1 0 1000.00 -999 ? >TRP.E 200 -6.78 68.31 -31.97 -8.63 67.95 -35.41 -7.70 68.13 -33.69 3 0 1000.00 -999 ? >CYH.E 201 -3.97 67.99 -35.80 -1.43 67.71 -36.16 -2.70 67.85 -35.98 2 0 1000.00 -999 ? >GLY.E 202 -6.22 65.12 -36.55 -6.33 65.93 -37.07 -6.27 65.53 -36.81 1 0 1000.00 -999 ? >VAL.E 203 -8.76 64.63 -39.36 -9.24 62.62 -39.98 -9.00 63.62 -39.67 3 0 1000.00 -999 ? >GLU.E 204 -9.32 69.55 -40.32 -7.88 70.76 -41.46 -8.60 70.16 -40.89 2 0 1000.00 -999 ? >PRO.F 7 -15.22 80.49 -46.98 -16.25 81.98 -45.63 -15.74 81.24 -46.31 3 0 1000.00 -999 ? >ARG.F 8 -21.57 77.15 -45.89 -23.68 76.52 -48.10 -22.63 76.83 -47.00 2 0 1000.00 -999 ? >LEU^F 9 -23.32 84.10 -45.37 -21.79 85.58 -45.94 -22.55 84.84 -45.66 3 0 1000.00 -999 ? >SER^F 10 -25.85 82.18 -42.54 -26.02 80.96 -40.39 -25.94 81.57 -41.46 2 0 1000.00 -999 ? >ARG^F 11 -31.08 86.68 -42.60 -32.98 88.17 -44.55 -32.03 87.42 -43.58 2 0 1000.00 -999 ? >ILE^F 12 -28.72 83.77 -36.43 -27.49 84.26 -36.53 -28.10 84.02 -36.48 3 0 1000.00 -999 ? >ALA^F 13 -32.08 86.55 -35.90 -33.26 86.00 -35.19 -32.67 86.28 -35.54 2 0 1000.00 -999 ? >ILE.F 14 -30.38 90.93 -34.45 -29.59 92.25 -34.68 -29.99 91.59 -34.57 3 0 1000.00 -999 ? >ASP.F 15 -33.24 89.48 -30.26 -34.78 88.04 -30.57 -34.01 88.76 -30.41 2 0 1000.00 -999 ? >LYS.F 16 -30.61 85.34 -30.72 -35.51 82.46 -30.29 -33.06 83.90 -30.50 2 0 1000.00 -999 ? >LEU^F 17 -26.50 87.70 -31.40 -25.82 87.68 -33.44 -26.16 87.69 -32.42 3 0 1000.00 -999 ? >ARG^F 18 -26.86 84.05 -25.63 -28.56 81.81 -24.40 -27.71 82.93 -25.02 2 0 1000.00 -999 ? >PRO.F 19 -25.15 90.05 -25.49 -23.70 88.79 -26.47 -24.42 89.42 -25.98 3 0 1000.00 -999 ? >THR.F 20 -19.57 88.90 -25.49 -18.11 88.19 -26.96 -18.84 88.54 -26.23 2 0 1000.00 -999 ? >GLN.F 21 -18.83 93.46 -25.78 -17.69 94.96 -26.83 -18.26 94.21 -26.30 2 0 1000.00 -999 ? >ILE.F 22 -20.07 94.10 -19.42 -20.62 93.29 -18.15 -20.34 93.69 -18.79 3 0 1000.00 -999 ? >ALA^F 23 -20.42 97.75 -22.11 -19.55 98.53 -21.20 -19.98 98.14 -21.65 2 0 1000.00 -999 ? >VAL^F 24 -20.47 99.57 -25.50 -22.23 98.61 -26.49 -21.35 99.09 -26.00 3 0 1000.00 -999 ? >GLY~F 25 -20.36 103.26 -26.40 -20.92 102.71 -26.65 -20.64 102.99 -26.53 1 0 1000.00 -999 ? >PHE~F 26 -25.70 103.52 -24.87 -27.11 101.32 -23.83 -26.41 102.42 -24.35 3 0 1000.00 -999 ? >ARG~F 27 -22.55 110.76 -27.54 -20.90 112.08 -29.79 -21.73 111.42 -28.67 2 0 1000.00 -999 ? >GLU~F 28 -18.99 103.78 -31.79 -16.92 104.35 -31.71 -17.95 104.06 -31.75 2 0 1000.00 -999 ? >VAL~F 29 -24.14 103.16 -31.33 -25.30 101.82 -30.15 -24.72 102.49 -30.74 3 0 1000.00 -999 ? >GLU~F 30 -26.84 107.46 -29.97 -28.75 106.69 -30.53 -27.79 107.07 -30.25 2 0 1000.00 -999 ? >LEU~F 31 -22.00 107.63 -34.91 -21.08 109.46 -34.08 -21.54 108.54 -34.49 3 0 1000.00 -999 ? >LYS~F 32 -23.97 104.08 -36.81 -20.25 100.73 -35.67 -22.11 102.40 -36.24 2 0 1000.00 -999 ? >ARG~F 33 -29.98 103.70 -33.94 -32.18 104.90 -32.13 -31.08 104.30 -33.04 2 0 1000.00 -999 ? >LYS~F 34 -26.98 107.90 -38.29 -25.89 113.38 -37.59 -26.44 110.64 -37.94 2 0 1000.00 -999 ? >GLU~F 35 -22.82 104.74 -41.70 -20.99 103.93 -41.00 -21.90 104.33 -41.35 2 0 1000.00 -999 ? >TRP~F 36 -29.72 101.41 -40.46 -29.27 98.54 -43.15 -29.50 99.98 -41.80 3 0 1000.00 -999 ? >ARG~F 37 -32.36 106.79 -38.71 -30.79 108.04 -36.32 -31.57 107.41 -37.51 2 0 1000.00 -999 ? >GLU~F 38 -29.82 110.31 -42.46 -29.17 110.77 -40.47 -29.49 110.54 -41.46 2 0 1000.00 -999 ? >THR.F 39 -28.19 105.93 -46.65 -26.08 106.01 -46.12 -27.14 105.97 -46.38 2 0 1000.00 -999 ? >GLY.F 49 -26.64 92.96 -49.63 -27.25 93.45 -49.44 -26.94 93.20 -49.53 1 0 1000.00 -999 ? >ASN.F 50 -27.69 92.92 -45.16 -29.41 94.19 -45.07 -28.55 93.56 -45.11 2 0 1000.00 -999 ? >HIS.F 51 -24.47 95.53 -42.00 -24.40 97.58 -42.38 -24.43 96.56 -42.19 3 0 1000.00 -999 ? >ILE^F 52 -20.89 89.79 -42.65 -21.69 89.16 -43.56 -21.29 89.48 -43.10 3 0 1000.00 -999 ? >VAL^F 53 -20.81 89.79 -38.26 -22.25 90.40 -36.77 -21.53 90.09 -37.52 3 0 1000.00 -999 ? >PRO^F 54 -16.95 89.21 -35.98 -18.60 88.04 -36.94 -17.78 88.62 -36.46 3 0 1000.00 -999 ? >VAL^F 55 -19.60 84.71 -34.55 -21.75 84.30 -34.67 -20.68 84.50 -34.61 3 0 1000.00 -999 ? >VAL^F 56 -18.63 81.68 -32.51 -17.07 81.46 -31.11 -17.85 81.57 -31.81 3 0 1000.00 -999 ? >ALA^F 57 -20.73 78.54 -32.31 -20.79 77.43 -33.30 -20.76 77.99 -32.81 2 0 1000.00 -999 ? >GLY.F 58 -21.25 77.80 -28.64 -21.72 77.36 -29.20 -21.49 77.58 -28.92 1 0 1000.00 -999 ? >PRO.F 59 -21.28 75.82 -24.94 -22.47 75.59 -26.80 -21.88 75.71 -25.87 3 0 1000.00 -999 ? >LYS.F 60 -26.49 74.15 -27.34 -27.72 73.63 -21.80 -27.10 73.89 -24.57 2 0 1000.00 -999 ? >ASP.F 61 -26.90 75.32 -31.92 -26.17 73.43 -32.47 -26.54 74.37 -32.19 2 0 1000.00 -999 ? >ARG.F 62 -28.36 79.79 -28.47 -30.67 81.72 -27.60 -29.51 80.76 -28.04 2 0 1000.00 -999 ? >ALA^F 63 -23.99 81.98 -31.62 -24.52 82.48 -32.91 -24.26 82.23 -32.26 2 0 1000.00 -999 ? >TYR^F 64 -21.44 83.01 -27.68 -22.78 81.35 -25.79 -22.11 82.18 -26.73 3 0 1000.00 -999 ? >LEU^F 65 -21.92 88.87 -31.19 -22.19 90.50 -32.53 -22.06 89.69 -31.86 3 0 1000.00 -999 ? >ILE.F 66 -16.42 87.46 -32.39 -15.88 87.03 -31.28 -16.15 87.24 -31.83 3 0 1000.00 -999 ? >ASP.F 67 -16.36 92.33 -34.11 -14.39 92.91 -33.96 -15.38 92.62 -34.03 2 0 1000.00 -999 ? >HIS~F 68 -18.25 93.98 -35.92 -16.70 94.36 -37.30 -17.48 94.17 -36.61 3 0 1000.00 -999 ? >HIS~F 69 -20.74 93.49 -28.98 -20.26 91.52 -28.53 -20.50 92.50 -28.76 3 0 1000.00 -999 ? >HIS~F 70 -19.78 99.83 -30.86 -18.46 100.19 -29.27 -19.12 100.01 -30.07 3 0 1000.00 -999 ? >LEU~F 71 -22.40 97.22 -36.10 -22.95 96.89 -38.25 -22.68 97.06 -37.17 3 0 1000.00 -999 ? >VAL~F 72 -25.40 95.10 -33.94 -25.39 92.95 -33.66 -25.40 94.03 -33.80 3 0 1000.00 -999 ? >LEU~F 73 -26.57 97.50 -29.81 -27.59 98.10 -27.94 -27.08 97.80 -28.87 3 0 1000.00 -999 ? >ALA~F 74 -27.63 99.79 -33.67 -26.51 100.58 -34.40 -27.07 100.19 -34.04 2 0 1000.00 -999 ? >LEU~F 75 -28.39 96.17 -36.93 -27.32 96.41 -38.92 -27.85 96.29 -37.92 3 0 1000.00 -999 ? >SER~F 76 -31.52 96.02 -33.59 -32.27 94.78 -31.69 -31.90 95.40 -32.64 2 0 1000.00 -999 ? >LYS~F 77 -32.73 99.50 -32.55 -32.47 100.93 -27.79 -32.60 100.21 -30.17 2 0 1000.00 -999 ? >GLU~F 78 -31.40 101.59 -36.98 -31.96 103.61 -37.18 -31.68 102.60 -37.08 2 0 1000.00 -999 ? >GLY.F 79 -35.57 97.22 -36.01 -34.92 97.29 -36.41 -35.25 97.26 -36.21 1 0 1000.00 -999 ? >VAL.F 80 -33.51 95.11 -38.43 -31.96 95.32 -39.96 -32.73 95.22 -39.20 3 0 1000.00 -999 ? >GLU.F 81 -36.28 90.82 -38.54 -38.38 90.75 -38.49 -37.33 90.79 -38.51 2 0 1000.00 -999 ? >HIS^F 82 -33.42 87.82 -39.73 -35.18 86.77 -39.29 -34.30 87.30 -39.51 3 0 1000.00 -999 ? >VAL^F 83 -27.97 89.81 -39.81 -26.49 90.16 -38.17 -27.23 89.98 -38.99 3 0 1000.00 -999 ? >LEU^F 84 -25.31 87.81 -43.36 -26.56 88.31 -45.20 -25.93 88.06 -44.28 3 0 1000.00 -999 ? >THR^F 85 -23.02 85.77 -39.76 -24.30 84.71 -38.31 -23.66 85.24 -39.04 2 0 1000.00 -999 ? >SER^F 86 -19.56 84.28 -40.35 -17.32 84.42 -41.29 -18.44 84.35 -40.82 2 0 1000.00 -999 ? >GLU^F 87 -19.33 79.25 -36.86 -21.05 78.07 -36.49 -20.19 78.66 -36.68 2 0 1000.00 -999 ? >VAL^F 88 -15.17 81.87 -37.00 -14.96 83.92 -36.28 -15.06 82.90 -36.64 3 0 1000.00 -999 ? >ALA^F 89 -14.94 79.10 -34.40 -13.96 79.50 -33.26 -14.45 79.30 -33.83 2 0 1000.00 -999 ? >LYS^F 90 -16.93 76.03 -33.36 -21.15 74.22 -36.49 -19.04 75.12 -34.92 2 0 1000.00 -999 ? >PHE.F 91 -15.44 77.20 -28.96 -13.20 78.75 -29.48 -14.32 77.98 -29.22 3 0 1000.00 -999 ? >SER.F 92 -20.35 73.44 -29.60 -20.78 73.49 -32.03 -20.56 73.47 -30.81 2 0 1000.00 -999 ? >HIS.F 93 -16.35 70.08 -29.18 -14.56 71.15 -29.38 -15.46 70.62 -29.28 3 0 1000.00 -999 ? >LEU.F 94 -16.81 73.02 -25.00 -14.63 73.13 -25.45 -15.72 73.07 -25.22 3 0 1000.00 -999 ? >GLY~F 95 -19.76 72.16 -21.84 -19.17 72.65 -22.13 -19.46 72.41 -21.99 1 0 1000.00 -999 ? >LYS~F 96 -20.42 75.57 -20.26 -26.59 75.24 -18.61 -23.51 75.40 -19.44 2 0 1000.00 -999 ? >ASP~F 97 -17.42 74.71 -16.65 -16.58 75.59 -15.00 -17.00 75.15 -15.82 2 0 1000.00 -999 ? >GLU~F 98 -13.52 73.23 -21.78 -12.84 71.21 -21.89 -13.18 72.22 -21.84 2 0 1000.00 -999 ? >PHE~F 99 -18.28 78.06 -24.26 -18.85 80.15 -26.06 -18.57 79.10 -25.16 3 0 1000.00 -999 ? >TRP~F 100 -19.29 80.11 -19.78 -20.00 83.31 -21.90 -19.65 81.71 -20.84 3 0 1000.00 -999 ? >SER~F 101 -12.63 79.11 -19.96 -10.84 77.76 -19.19 -11.73 78.43 -19.57 2 0 1000.00 -999 ? >VAL~F 102 -11.65 78.73 -23.65 -11.66 77.19 -25.14 -11.65 77.96 -24.40 3 0 1000.00 -999 ? >MET?F 103 -13.39 81.96 -24.54 -15.83 82.06 -26.87 -14.61 82.01 -25.71 2 0 1000.00 -999 ? >ASP~F 104 -11.50 83.18 -20.35 -10.47 84.48 -19.01 -10.99 83.83 -19.68 2 0 1000.00 -999 ? >HIS~F 105 -7.07 80.14 -22.38 -5.57 79.54 -21.05 -6.32 79.84 -21.71 3 0 1000.00 -999 ? >ARG~F 106 -9.32 79.55 -28.06 -8.32 80.00 -30.90 -8.82 79.77 -29.48 2 0 1000.00 -999 ? >ASN.F 107 -8.59 87.64 -26.12 -6.86 87.48 -25.03 -7.73 87.56 -25.57 2 0 1000.00 -999 ? >LEU.F 108 -13.42 85.15 -28.00 -12.48 84.31 -29.75 -12.95 84.73 -28.87 3 0 1000.00 -999 ? >ILE.F 109 -15.09 87.08 -23.19 -15.20 85.87 -22.47 -15.14 86.48 -22.83 3 0 1000.00 -999 ? >TYR.F 110 -13.58 93.65 -23.12 -12.10 95.79 -22.13 -12.84 94.72 -22.62 3 0 1000.00 -999 ? >PRO.F 111 -14.54 89.59 -18.58 -15.70 91.12 -19.73 -15.12 90.35 -19.16 3 0 1000.00 -999 ? >PHE.F 112 -12.83 94.77 -18.50 -10.44 93.43 -18.01 -11.63 94.10 -18.26 3 0 1000.00 -999 ? >ASP.F 113 -18.95 96.71 -15.62 -17.70 97.69 -14.21 -18.32 97.20 -14.92 2 0 1000.00 -999 ? >ALA.F 114 -19.02 100.26 -17.84 -20.42 100.84 -17.82 -19.72 100.55 -17.83 2 0 1000.00 -999 ? >GLN.F 115 -17.66 101.54 -13.33 -19.56 101.62 -14.25 -18.61 101.58 -13.79 2 0 1000.00 -999 ? >GLY.F 116 -13.36 99.49 -16.55 -13.86 99.18 -15.97 -13.61 99.33 -16.26 1 0 1000.00 -999 ? >LEU.F 117 -14.71 97.22 -12.65 -13.94 99.25 -12.11 -14.32 98.24 -12.38 3 0 1000.00 -999 ? >ARG.F 118 -10.51 90.32 -14.81 -9.23 89.74 -17.54 -9.87 90.03 -16.17 2 0 1000.00 -999 ? >ARG.F 119 -17.46 93.69 -12.93 -20.34 94.26 -11.99 -18.90 93.98 -12.46 2 0 1000.00 -999 ? >GLN~F 120 -16.78 86.37 -11.60 -17.70 85.30 -9.99 -17.24 85.84 -10.79 2 0 1000.00 -999 ? >SER~F 121 -18.52 85.50 -17.08 -16.78 84.36 -18.25 -17.65 84.93 -17.66 2 0 1000.00 -999 ? >GLY~F 122 -21.84 85.12 -15.36 -21.43 85.75 -15.69 -21.64 85.44 -15.52 1 0 1000.00 -999 ? >ASP~F 123 -21.22 89.93 -15.00 -21.41 89.79 -12.82 -21.32 89.86 -13.91 2 0 1000.00 -999 ? >ILE~F 124 -21.27 88.04 -20.74 -20.21 88.58 -21.66 -20.74 88.31 -21.20 3 0 1000.00 -999 ? >PRO.F 125 -24.34 92.09 -21.44 -24.72 90.08 -20.47 -24.53 91.08 -20.96 3 0 1000.00 -999 ? >LYS.F 126 -27.17 87.07 -22.20 -26.86 84.07 -18.41 -27.02 85.57 -20.30 2 0 1000.00 -999 ? >ASN~F 127 -30.36 89.86 -23.94 -31.67 90.48 -25.51 -31.01 90.17 -24.73 2 0 1000.00 -999 ? >ILE~F 128 -28.22 92.60 -28.20 -28.01 91.51 -28.59 -28.12 92.05 -28.40 3 0 1000.00 -999 ? >HIS~F 129 -32.30 94.53 -25.71 -33.58 92.86 -25.78 -32.94 93.70 -25.75 3 0 1000.00 -999 ? >ASP~F 130 -28.49 93.40 -20.93 -30.40 92.50 -20.80 -29.44 92.95 -20.86 2 0 1000.00 -999 ? >LEU~F 131 -24.77 96.50 -24.11 -23.33 95.09 -25.02 -24.05 95.79 -24.57 3 0 1000.00 -999 ? >GLU^F 132 -23.93 98.57 -17.93 -22.65 97.30 -16.83 -23.29 97.94 -17.38 2 0 1000.00 -999 ? >ASP^F 133 -23.83 103.80 -21.82 -23.17 105.36 -23.14 -23.50 104.58 -22.48 2 0 1000.00 -999 ? >ASP~F 134 -18.23 102.00 -21.66 -16.36 102.81 -21.03 -17.29 102.41 -21.35 2 0 1000.00 -999 ? >PRO~F 135 -19.11 106.90 -20.04 -18.96 106.07 -22.12 -19.04 106.49 -21.08 3 0 1000.00 -999 ? >PHE~F 136 -14.26 107.08 -20.32 -14.57 109.05 -18.36 -14.42 108.06 -19.34 3 0 1000.00 -999 ? >ARG~F 137 -15.02 101.24 -27.24 -15.23 101.56 -30.30 -15.12 101.40 -28.77 2 0 1000.00 -999 ? >SER~F 138 -17.47 106.29 -26.98 -19.94 106.14 -26.81 -18.71 106.21 -26.89 2 0 1000.00 -999 ? >LEU~F 139 -14.09 109.13 -25.03 -13.47 111.23 -24.94 -13.78 110.18 -24.99 3 0 1000.00 -999 ? >ALA~F 140 -11.79 106.54 -27.87 -11.25 105.29 -27.31 -11.52 105.92 -27.59 2 0 1000.00 -999 ? >GLY~F 141 -13.56 105.63 -31.16 -13.29 106.36 -30.76 -13.42 105.99 -30.96 1 0 1000.00 -999 ? >ALA~F 142 -14.05 109.36 -31.60 -14.89 110.22 -30.65 -14.47 109.79 -31.12 2 0 1000.00 -999 ? >LEU~F 143 -9.70 109.55 -29.36 -7.74 110.50 -29.69 -8.72 110.03 -29.53 3 0 1000.00 -999 ? >ARG~F 144 -8.18 104.23 -34.76 -11.20 103.65 -35.12 -9.69 103.94 -34.94 2 0 1000.00 -999 ? >MET?F 145 -11.79 109.12 -35.64 -14.40 108.00 -36.91 -13.09 108.56 -36.28 2 0 1000.00 -999 ? >ALA~F 146 -9.97 112.41 -35.17 -9.96 113.19 -33.85 -9.97 112.80 -34.51 2 0 1000.00 -999 ? >GLY.F 147 -6.67 110.75 -36.16 -6.88 110.94 -35.37 -6.77 110.84 -35.77 1 0 1000.00 -999 ? >GLY.F 148 -5.53 110.60 -32.53 -5.38 109.96 -33.02 -5.45 110.28 -32.78 1 0 1000.00 -999 ? >TYR.F 149 -5.14 105.95 -31.28 -7.65 105.01 -30.45 -6.39 105.48 -30.87 3 0 1000.00 -999 ? >ALA.F 150 -3.29 104.71 -35.73 -1.89 104.40 -36.34 -2.59 104.56 -36.03 2 0 1000.00 -999 ? >LYS.F 151 -5.57 101.74 -36.45 -10.57 101.60 -39.02 -8.07 101.67 -37.74 2 0 1000.00 -999 ? >VAL.F 152 -3.79 98.69 -35.03 -2.10 98.91 -33.64 -2.95 98.80 -34.33 3 0 1000.00 -999 ? >ILE.F 153 -3.71 93.82 -36.25 -2.76 93.24 -37.17 -3.23 93.53 -36.71 3 0 1000.00 -999 ? >ILE.F 154 -3.51 94.93 -30.41 -2.57 95.17 -30.02 -3.04 95.05 -30.21 3 0 1000.00 -999 ? >PRO.F 155 -7.39 91.31 -30.40 -7.30 93.56 -30.34 -7.35 92.43 -30.37 3 0 1000.00 -999 ? >PHE~F 156 -10.95 94.23 -26.65 -12.40 91.86 -27.03 -11.67 93.04 -26.84 3 0 1000.00 -999 ? >SER~F 157 -7.15 98.73 -28.63 -5.87 100.04 -30.27 -6.51 99.39 -29.45 2 0 1000.00 -999 ? >GLU~F 158 -11.37 100.84 -30.55 -10.40 98.95 -30.96 -10.88 99.89 -30.75 2 0 1000.00 -999 ? >PHE~F 159 -12.88 98.36 -24.59 -15.66 98.26 -24.90 -14.27 98.31 -24.74 3 0 1000.00 -999 ? >GLY~F 160 -7.14 100.26 -23.97 -7.76 100.84 -24.17 -7.45 100.55 -24.07 1 0 1000.00 -999 ? >TRP~F 161 -5.91 103.57 -27.88 -3.48 106.64 -27.69 -4.69 105.11 -27.79 3 0 1000.00 -999 ? >ALA~F 162 -10.67 103.94 -23.11 -11.85 103.10 -23.52 -11.26 103.52 -23.31 2 0 1000.00 -999 ? >ASP~F 163 -8.45 101.43 -19.56 -8.74 100.74 -17.53 -8.59 101.08 -18.54 2 0 1000.00 -999 ? >PHE~F 164 -4.58 106.59 -21.52 -2.85 108.84 -21.55 -3.72 107.71 -21.53 3 0 1000.00 -999 ? >LEU~F 165 -9.53 108.56 -22.06 -8.82 109.13 -24.10 -9.18 108.84 -23.08 3 0 1000.00 -999 ? >ARG~F 166 -11.74 103.38 -17.37 -14.44 102.96 -18.76 -13.09 103.17 -18.06 2 0 1000.00 -999 ? >ARG~F 167 -6.45 103.53 -15.36 -7.33 100.85 -13.98 -6.89 102.19 -14.67 2 0 1000.00 -999 ? >ARG.F 168 -3.81 110.57 -18.08 -3.27 107.55 -17.89 -3.54 109.06 -17.98 2 0 1000.00 -999 ? >ILE.F 169 -10.87 112.78 -18.69 -11.04 113.27 -20.04 -10.95 113.03 -19.37 3 0 1000.00 -999 ? >ASP~F 170 -14.13 115.21 -15.03 -15.19 115.33 -13.23 -14.66 115.27 -14.13 2 0 1000.00 -999 ? >ARG~F 171 -19.90 110.13 -16.49 -22.05 111.50 -14.66 -20.98 110.82 -15.57 2 0 1000.00 -999 ? >ASP~F 172 -18.89 116.03 -14.74 -18.92 115.09 -12.87 -18.91 115.56 -13.81 2 0 1000.00 -999 ? >LEU~F 173 -15.18 116.89 -18.48 -14.51 118.53 -19.79 -14.85 117.71 -19.13 3 0 1000.00 -999 ? >LEU~F 174 -17.18 112.77 -20.87 -17.73 110.95 -21.93 -17.45 111.86 -21.40 3 0 1000.00 -999 ? >SER~F 175 -21.37 113.64 -20.38 -21.44 113.88 -17.95 -21.41 113.76 -19.17 2 0 1000.00 -999 ? >ASP~F 176 -22.06 118.25 -20.07 -23.49 117.49 -18.63 -22.78 117.87 -19.35 2 0 1000.00 -999 ? >SER~F 177 -19.28 119.29 -23.14 -19.20 121.58 -22.24 -19.24 120.44 -22.69 2 0 1000.00 -999 ? >PHE~F 178 -18.67 114.08 -26.58 -17.58 111.64 -27.54 -18.13 112.86 -27.06 3 0 1000.00 -999 ? >ASP~F 179 -16.23 119.20 -28.33 -17.15 118.20 -29.97 -16.69 118.70 -29.15 2 0 1000.00 -999 ? >ASP~F 180 -14.11 120.43 -23.19 -15.45 122.09 -23.78 -14.78 121.26 -23.48 2 0 1000.00 -999 ? >ALA~F 181 -13.24 116.09 -23.30 -14.43 115.19 -23.00 -13.84 115.64 -23.15 2 0 1000.00 -999 ? >LEU~F 182 -13.18 115.48 -28.21 -12.90 114.87 -30.37 -13.04 115.18 -29.29 3 0 1000.00 -999 ? >ALA~F 183 -9.63 118.11 -26.99 -9.96 119.65 -27.01 -9.79 118.88 -27.00 2 0 1000.00 -999 ? >GLU~F 184 -9.10 117.90 -21.20 -8.32 116.82 -19.50 -8.71 117.36 -20.35 2 0 1000.00 -999 ? >ALA~F 185 -8.19 113.54 -25.05 -9.37 112.65 -25.47 -8.78 113.09 -25.26 2 0 1000.00 -999 ? >MET?F 186 -6.46 114.77 -28.18 -6.46 114.29 -31.58 -6.46 114.53 -29.88 2 0 1000.00 -999 ? >LYS~F 187 -3.88 116.60 -26.03 -4.90 121.82 -24.17 -4.39 119.21 -25.10 2 0 1000.00 -999 ? >LEU~F 188 -4.37 112.66 -23.12 -4.62 112.98 -20.92 -4.50 112.82 -22.02 3 0 1000.00 -999 ? >ALA~F 189 -3.11 111.26 -27.21 -4.17 111.19 -28.31 -3.64 111.22 -27.76 2 0 1000.00 -999 ? >LYS~F 190 -0.05 113.17 -28.43 -0.66 111.76 -33.03 -0.35 112.46 -30.73 2 0 1000.00 -999 ? >SER~F 191 1.67 113.24 -25.03 -0.08 113.06 -23.32 0.80 113.15 -24.18 2 0 1000.00 -999 ? >ARG~F 192 7.58 111.25 -22.39 8.61 110.40 -25.20 8.09 110.83 -23.79 2 0 1000.00 -999 ? >GLU~F 193 0.91 111.68 -19.03 1.05 110.37 -17.36 0.98 111.03 -18.19 2 0 1000.00 -999 ? >ALA~F 194 0.44 107.98 -23.84 -0.69 108.61 -24.66 -0.13 108.29 -24.25 2 0 1000.00 -999 ? >ARG~F 195 7.29 106.66 -24.09 7.63 106.89 -21.01 7.46 106.77 -22.55 2 0 1000.00 -999 ? >HIS.F 196 1.36 103.18 -22.18 -0.41 103.86 -21.27 0.47 103.52 -21.73 3 0 1000.00 -999 ? >LEU.F 197 -1.83 103.47 -25.98 -2.87 104.02 -24.13 -2.35 103.75 -25.05 3 0 1000.00 -999 ? >PRO.F 198 -3.21 100.14 -28.69 -1.19 101.16 -28.87 -2.20 100.65 -28.78 3 0 1000.00 -999 ? >GLY.F 199 -1.07 103.16 -32.64 -0.71 103.41 -31.95 -0.89 103.29 -32.30 1 0 1000.00 -999 ? >TRP.F 200 1.05 108.06 -27.90 4.77 108.75 -28.97 2.91 108.41 -28.43 3 0 1000.00 -999 ? >CSS.F 201 1.94 108.71 -32.94 -0.58 108.74 -34.44 0.68 108.72 -33.69 2 0 1000.00 -999 ? >GLY.F 202 4.47 111.29 -31.54 4.90 110.79 -31.95 4.68 111.04 -31.75 1 0 1000.00 -999 ? >VAL.F 203 7.95 112.96 -31.49 7.83 115.16 -31.96 7.89 114.06 -31.73 3 0 1000.00 -999 ? >GLU.F 204 13.08 110.42 -30.43 11.79 109.01 -29.41 12.44 109.72 -29.92 2 0 1000.00 -999 ?