REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-FEB-06 2FYW COMPND CONSERVED HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; SOURCE 3 ORGANISM_TAXID: 170187; SOURCE 4 STRAIN: TIGR4; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR B.NOCEK,C.HATZOS,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 20 8 HET MSE A 40 8 HET MSE A 116 8 HET MSE A 163 8 HET MSE A 213 8 HET MSE B 1 8 HET MSE B 20 8 HET MSE B 40 8 HET MSE B 116 8 HET MSE B 163 8 HET MSE B 213 8 HET MSE C 1 8 HET MSE C 20 8 HET MSE C 40 8 HET MSE C 116 8 HET MSE C 163 8 HET MSE C 213 8 >ASN.A -1 -28.51 43.57 37.15 -27.32 45.12 36.23 -27.91 44.35 36.69 2 0 1000.00 -999 ? >ALA.A 0 -25.41 41.28 39.33 -25.54 41.33 40.87 -25.47 41.31 40.10 2 0 1000.00 -999 ? >MET?A 1 -22.64 38.86 38.39 -18.65 39.18 37.46 -20.64 39.02 37.93 2 0 1000.00 -999 ? >LEU~A 2 -23.56 34.17 39.50 -25.59 33.66 38.90 -24.58 33.91 39.20 3 0 1000.00 -999 ? >ALA~A 3 -19.95 34.59 42.26 -20.11 34.26 43.75 -20.03 34.43 43.01 2 0 1000.00 -999 ? >SER~A 4 -19.89 31.26 40.36 -22.18 30.95 39.55 -21.03 31.11 39.96 2 0 1000.00 -999 ? >GLU~A 5 -20.28 35.23 36.55 -21.88 36.15 35.40 -21.08 35.69 35.98 2 0 1000.00 -999 ? >VAL~A 6 -15.96 34.57 38.71 -15.57 36.22 40.14 -15.77 35.40 39.42 3 0 1000.00 -999 ? >ILE~A 7 -15.63 30.36 41.13 -14.57 30.23 41.97 -15.10 30.30 41.55 3 0 1000.00 -999 ? >GLN~A 8 -18.00 28.85 36.03 -19.67 28.97 34.70 -18.83 28.91 35.37 2 0 1000.00 -999 ? >ALA~A 9 -13.05 31.99 35.12 -13.26 33.48 35.10 -13.16 32.74 35.11 2 0 1000.00 -999 ? >TYR~A 10 -9.55 31.23 40.30 -7.12 30.72 41.67 -8.34 30.98 40.99 3 0 1000.00 -999 ? >GLU~A 11 -12.22 26.67 39.57 -13.99 25.82 40.29 -13.11 26.24 39.93 2 0 1000.00 -999 ? >ALA~A 12 -10.23 27.68 33.81 -11.05 28.52 32.76 -10.64 28.10 33.28 2 0 1000.00 -999 ? >PHE~A 13 -5.32 30.84 35.85 -2.91 31.26 37.18 -4.11 31.05 36.51 3 0 1000.00 -999 ? >CYH~A 14 -6.38 27.04 37.78 -5.13 27.18 40.29 -5.76 27.11 39.03 2 0 1000.00 -999 ? >PRO~A 15 -7.53 23.35 35.84 -7.87 24.29 37.82 -7.70 23.82 36.83 3 0 1000.00 -999 ? >GLN~A 16 -11.63 23.40 42.46 -13.56 22.87 43.25 -12.60 23.14 42.86 2 0 1000.00 -999 ? >GLU~A 17 -8.76 18.54 37.90 -10.23 19.88 37.10 -9.50 19.21 37.50 2 0 1000.00 -999 ? >PHE~A 18 -4.17 21.45 37.62 -4.07 21.23 34.79 -4.12 21.34 36.20 3 0 1000.00 -999 ? >SER~A 19 -4.39 20.37 43.71 -6.16 21.90 44.37 -5.28 21.13 44.04 2 0 1000.00 -999 ? >MET?A 20 -2.32 17.61 45.29 1.49 18.82 46.67 -0.41 18.22 45.98 2 0 1000.00 -999 ? >GLU.A 21 -3.37 12.34 47.31 -3.00 10.33 46.61 -3.19 11.33 46.96 2 0 1000.00 -999 ? >GLY.A 22 -5.84 15.19 50.10 -5.77 15.85 49.56 -5.80 15.52 49.83 1 0 1000.00 -999 ? >ASP.A 23 -4.77 19.65 48.66 -4.10 21.59 49.18 -4.43 20.62 48.92 2 0 1000.00 -999 ? >SER.A 24 -8.47 21.42 50.45 -8.67 21.92 52.78 -8.57 21.67 51.62 2 0 1000.00 -999 ? >ARG.A 25 -10.09 19.79 45.48 -7.75 17.84 45.55 -8.92 18.82 45.51 2 0 1000.00 -999 ? >GLY^A 26 -12.77 25.12 46.15 -12.48 25.23 46.89 -12.62 25.18 46.52 1 0 1000.00 -999 ? >LEU^A 27 -17.09 26.66 47.54 -18.60 28.13 48.03 -17.84 27.39 47.79 3 0 1000.00 -999 ? >GLN^A 28 -13.00 25.26 51.93 -11.57 24.67 53.39 -12.28 24.97 52.66 2 0 1000.00 -999 ? >ILE^A 29 -17.22 29.29 54.36 -16.80 29.68 55.71 -17.01 29.49 55.03 3 0 1000.00 -999 ? >GLY.A 30 -21.13 29.86 51.86 -20.88 29.17 51.53 -21.00 29.51 51.70 1 0 1000.00 -999 ? >THR.A 31 -22.53 29.82 48.35 -24.48 30.59 47.70 -23.51 30.20 48.03 2 0 1000.00 -999 ? >LEU.A 32 -20.41 30.29 44.12 -18.31 30.05 44.61 -19.36 30.17 44.36 3 0 1000.00 -999 ? >ASP.A 33 -26.16 29.99 44.10 -25.59 27.95 43.90 -25.87 28.97 44.00 2 0 1000.00 -999 ? >LYS.A 34 -25.89 34.56 44.28 -30.42 32.38 45.69 -28.15 33.47 44.99 2 0 1000.00 -999 ? >GLY.A 35 -25.11 37.94 42.75 -24.96 37.70 43.56 -25.03 37.82 43.16 1 0 1000.00 -999 ? >ILE.A 36 -20.87 38.66 44.57 -19.97 37.80 44.51 -20.42 38.23 44.54 3 0 1000.00 -999 ? >GLN.A 37 -22.43 44.29 44.98 -23.13 46.31 44.97 -22.78 45.30 44.97 2 0 1000.00 -999 ? >ARG^A 38 -16.32 45.53 47.79 -19.01 47.03 47.70 -17.66 46.28 47.74 2 0 1000.00 -999 ? >VAL^A 39 -14.20 39.87 45.77 -14.15 38.30 44.22 -14.17 39.08 44.99 3 0 1000.00 -999 ? >MET?A 40 -11.16 39.90 48.03 -10.44 41.70 51.81 -10.80 40.80 49.92 2 0 1000.00 -999 ? >VAL^A 41 -7.91 37.97 47.53 -7.19 37.64 45.49 -7.55 37.80 46.51 3 0 1000.00 -999 ? >ALA^A 42 -6.15 36.95 50.78 -7.14 36.90 52.03 -6.65 36.93 51.40 2 0 1000.00 -999 ? >LEU.A 43 -1.95 35.20 52.30 -0.03 34.16 52.10 -0.99 34.68 52.20 3 0 1000.00 -999 ? >ASP.A 44 -4.03 33.66 56.34 -2.07 32.86 55.97 -3.05 33.26 56.15 2 0 1000.00 -999 ? >ILE.A 45 -9.67 34.03 56.47 -10.84 34.13 55.86 -10.25 34.08 56.17 3 0 1000.00 -999 ? >ARG~A 46 -5.34 33.49 60.67 -6.35 31.52 62.84 -5.85 32.50 61.76 2 0 1000.00 -999 ? >GLU~A 47 -9.49 37.06 65.03 -7.91 35.62 65.09 -8.70 36.34 65.06 2 0 1000.00 -999 ? >GLU~A 48 -6.41 43.00 60.40 -4.41 43.79 60.58 -5.41 43.39 60.49 2 0 1000.00 -999 ? >THR~A 49 -9.03 39.64 57.48 -7.89 38.18 56.31 -8.46 38.91 56.90 2 0 1000.00 -999 ? >VAL~A 50 -12.63 39.09 58.63 -13.64 37.45 59.76 -13.13 38.27 59.19 3 0 1000.00 -999 ? >ALA~A 51 -13.05 42.70 59.99 -12.22 43.37 61.13 -12.64 43.04 60.56 2 0 1000.00 -999 ? >GLU~A 52 -9.90 44.42 54.95 -8.14 43.71 53.98 -9.02 44.06 54.47 2 0 1000.00 -999 ? >ALA~A 53 -13.97 41.92 54.62 -14.04 40.39 54.54 -14.00 41.15 54.58 2 0 1000.00 -999 ? >ILE~A 54 -17.18 42.86 58.22 -17.76 42.37 59.36 -17.47 42.62 58.79 3 0 1000.00 -999 ? >GLU~A 55 -14.44 48.57 57.76 -13.13 49.87 56.70 -13.78 49.22 57.23 2 0 1000.00 -999 ? >LYS~A 56 -15.17 46.74 52.79 -8.81 47.82 52.23 -11.99 47.28 52.51 2 0 1000.00 -999 ? >GLY.A 57 -18.45 44.90 52.04 -17.71 44.62 51.89 -18.08 44.76 51.97 1 0 1000.00 -999 ? >VAL.A 58 -16.83 41.77 50.58 -14.70 41.16 50.49 -15.77 41.47 50.53 3 0 1000.00 -999 ? >ASP.A 59 -19.97 39.01 48.06 -20.98 40.82 47.95 -20.47 39.92 48.01 2 0 1000.00 -999 ? >LEU^A 60 -16.63 35.90 46.90 -15.95 34.05 45.98 -16.29 34.97 46.44 3 0 1000.00 -999 ? >ILE^A 61 -12.45 35.73 51.00 -11.92 36.25 52.23 -12.19 35.99 51.61 3 0 1000.00 -999 ? >ILE^A 62 -10.20 34.04 45.83 -10.25 33.68 44.42 -10.22 33.86 45.13 3 0 1000.00 -999 ? >VAL^A 63 -7.87 32.37 49.74 -8.22 31.72 51.87 -8.05 32.04 50.81 3 0 1000.00 -999 ? >LYS.A 64 -4.62 30.32 49.47 -0.08 27.98 48.52 -2.35 29.15 48.99 2 0 1000.00 -999 ? >HIS.A 65 -2.26 29.24 53.63 -0.27 29.11 52.96 -1.27 29.18 53.29 3 0 1000.00 -999 ? >ALA.A 66 -7.78 26.98 53.89 -8.09 25.50 53.62 -7.94 26.24 53.75 2 0 1000.00 -999 ? >PRO.A 67 -11.23 29.09 55.13 -9.51 28.14 56.20 -10.37 28.61 55.67 3 0 1000.00 -999 ? >ILE.A 68 -12.66 24.18 56.85 -14.03 23.91 57.07 -13.35 24.04 56.96 3 0 1000.00 -999 ? >PHE.A 69 -6.62 23.76 59.13 -6.64 24.46 61.89 -6.63 24.11 60.51 3 0 1000.00 -999 ? >ARG.A 70 -8.19 20.05 62.66 -7.76 20.93 65.53 -7.97 20.49 64.10 2 0 1000.00 -999 ? >PRO.A 71 -12.38 16.36 59.16 -12.28 18.51 59.86 -12.33 17.43 59.51 3 0 1000.00 -999 ? >ILE.A 72 -15.62 22.00 62.10 -15.94 23.31 61.73 -15.78 22.66 61.92 3 0 1000.00 -999 ? >LYS.A 73 -15.56 18.96 65.85 -12.43 15.40 64.08 -14.00 17.18 64.96 2 0 1000.00 -999 ? >ASP.A 74 -18.14 21.43 68.70 -16.39 22.27 69.59 -17.26 21.85 69.14 2 0 1000.00 -999 ? >LEU.A 75 -20.42 25.36 65.72 -20.43 25.04 63.51 -20.43 25.20 64.62 3 0 1000.00 -999 ? >LEU.A 76 -17.59 25.79 71.28 -18.22 24.20 72.61 -17.91 25.00 71.94 3 0 1000.00 -999 ? >ALA.A 77 -18.18 30.27 69.88 -19.37 31.26 70.11 -18.77 30.77 70.00 2 0 1000.00 -999 ? >SER.A 78 -15.48 30.13 72.54 -15.37 28.06 73.82 -15.43 29.10 73.18 2 0 1000.00 -999 ? >ARG~A 79 -13.40 24.84 69.36 -13.28 22.97 71.85 -13.34 23.91 70.61 2 0 1000.00 -999 ? >PRO~A 80 -9.73 31.56 69.92 -11.37 30.89 68.58 -10.55 31.22 69.25 3 0 1000.00 -999 ? >GLN~A 81 -10.56 27.74 63.02 -9.73 29.32 61.79 -10.15 28.53 62.40 2 0 1000.00 -999 ? >ASN~A 82 -15.78 28.24 66.35 -15.61 26.12 65.97 -15.69 27.18 66.16 2 0 1000.00 -999 ? >GLN~A 83 -14.94 33.63 68.46 -13.34 34.00 69.93 -14.14 33.82 69.19 2 0 1000.00 -999 ? >ILE~A 84 -12.54 32.93 61.90 -11.29 33.14 61.48 -11.92 33.03 61.69 3 0 1000.00 -999 ? >TYR~A 85 -15.49 28.62 61.00 -13.28 26.90 60.66 -14.39 27.76 60.83 3 0 1000.00 -999 ? >ILE~A 86 -19.46 32.61 64.33 -20.06 32.33 65.61 -19.76 32.47 64.97 3 0 1000.00 -999 ? >ASP~A 87 -17.11 36.79 61.96 -17.22 37.35 64.01 -17.16 37.07 62.98 2 0 1000.00 -999 ? >LEU~A 88 -17.13 33.85 57.28 -14.94 34.12 56.82 -16.03 33.98 57.05 3 0 1000.00 -999 ? >ILE~A 89 -21.78 31.91 58.95 -22.29 30.50 59.27 -22.04 31.20 59.11 3 0 1000.00 -999 ? >LYS~A 90 -23.32 36.09 59.72 -23.62 37.19 65.98 -23.47 36.64 62.85 2 0 1000.00 -999 ? >HIS~A 91 -20.82 40.16 58.47 -21.04 41.18 60.28 -20.93 40.67 59.38 3 0 1000.00 -999 ? >ASP.A 92 -23.78 36.51 53.31 -25.57 36.15 54.26 -24.68 36.33 53.78 2 0 1000.00 -999 ? >ILE.A 93 -17.79 36.70 53.99 -16.88 37.74 54.29 -17.33 37.22 54.14 3 0 1000.00 -999 ? >ALA^A 94 -18.22 33.04 50.98 -18.87 32.77 49.61 -18.54 32.91 50.30 2 0 1000.00 -999 ? >VAL^A 95 -14.70 31.57 51.08 -13.50 31.67 52.92 -14.10 31.62 52.00 3 0 1000.00 -999 ? >TYR^A 96 -12.97 29.48 45.72 -12.12 27.90 43.60 -12.54 28.69 44.66 3 0 1000.00 -999 ? >VAL^A 97 -9.65 27.91 48.44 -9.12 26.73 50.22 -9.38 27.32 49.33 3 0 1000.00 -999 ? >SER.A 98 -6.82 27.77 46.00 -5.92 28.45 43.93 -6.37 28.11 44.97 2 0 1000.00 -999 ? >HIS~A 99 -3.08 25.19 49.98 -1.48 24.80 51.29 -2.28 25.00 50.64 3 0 1000.00 -999 ? >THR~A 100 -1.52 23.73 46.13 -1.57 21.77 47.14 -1.55 22.75 46.64 2 0 1000.00 -999 ? >ASN~A 101 -4.61 23.83 42.26 -5.96 25.25 43.09 -5.28 24.54 42.68 2 0 1000.00 -999 ? >ILE~A 102 -2.22 28.92 43.08 -1.92 29.64 42.76 -2.07 29.28 42.92 3 0 1000.00 -999 ? >ASP~A 103 2.00 25.56 44.44 1.71 26.80 46.13 1.86 26.18 45.28 2 0 1000.00 -999 ? >ILE~A 104 0.52 22.30 40.68 0.29 21.09 41.02 0.40 21.69 40.85 3 0 1000.00 -999 ? >VAL~A 105 -0.35 25.35 37.50 -2.05 26.84 37.17 -1.20 26.10 37.33 3 0 1000.00 -999 ? >GLU.A 106 2.43 26.63 32.19 3.84 25.04 32.45 3.14 25.83 32.32 2 0 1000.00 -999 ? >ASN.A 107 1.06 31.28 34.10 2.02 31.28 32.14 1.54 31.28 33.12 2 0 1000.00 -999 ? >GLY~A 108 1.19 30.11 38.89 1.94 30.30 38.65 1.57 30.21 38.77 1 0 1000.00 -999 ? >LEU~A 109 2.41 30.84 43.47 2.72 31.73 45.40 2.57 31.28 44.44 3 0 1000.00 -999 ? >ASN~A 110 6.36 27.73 41.76 6.22 27.14 43.81 6.29 27.44 42.79 2 0 1000.00 -999 ? >ASP~A 111 5.52 30.32 36.85 5.54 28.25 36.38 5.53 29.28 36.61 2 0 1000.00 -999 ? >TRP~A 112 3.47 34.51 38.28 0.29 33.91 40.50 1.88 34.21 39.39 3 0 1000.00 -999 ? >PHE~A 113 8.05 32.27 43.97 6.38 32.57 46.24 7.22 32.42 45.10 3 0 1000.00 -999 ? >CYH~A 114 11.07 32.13 38.83 11.01 29.43 38.94 11.04 30.78 38.88 2 0 1000.00 -999 ? >GLN~A 115 8.27 34.80 35.38 6.11 34.79 35.38 7.19 34.79 35.38 2 0 1000.00 -999 ? >MET?A 116 11.06 37.64 39.78 7.82 38.00 42.59 9.44 37.82 41.18 2 0 1000.00 -999 ? >LEU~A 117 14.51 34.79 41.30 14.63 34.81 43.51 14.57 34.80 42.40 3 0 1000.00 -999 ? >GLY~A 118 15.26 35.26 36.62 15.15 34.66 37.19 15.21 34.96 36.90 1 0 1000.00 -999 ? >ILE.A 119 14.80 30.68 38.14 14.98 30.03 39.34 14.89 30.36 38.74 3 0 1000.00 -999 ? >GLU^A 120 15.84 32.45 32.64 14.38 33.56 31.60 15.11 33.00 32.12 2 0 1000.00 -999 ? >GLU^A 121 16.15 27.60 29.89 18.10 27.09 29.44 17.12 27.34 29.67 2 0 1000.00 -999 ? >THR^A 122 12.08 25.69 34.28 11.15 27.48 35.09 11.62 26.58 34.69 2 0 1000.00 -999 ? >THR^A 123 10.46 22.35 34.96 11.12 20.27 34.86 10.79 21.31 34.91 2 0 1000.00 -999 ? >TYR^A 124 6.97 19.57 37.24 6.67 17.26 35.75 6.82 18.42 36.49 3 0 1000.00 -999 ? >LEU^A 125 10.26 20.02 42.58 11.84 21.36 43.14 11.05 20.69 42.86 3 0 1000.00 -999 ? >GLN^A 126 6.85 14.93 43.64 6.51 14.60 45.69 6.68 14.77 44.67 2 0 1000.00 -999 ? >GLU^A 127 4.21 13.99 37.67 4.75 12.60 36.26 4.48 13.30 36.97 2 0 1000.00 -999 ? >THR^A 128 1.55 15.59 40.84 1.57 17.66 41.51 1.56 16.62 41.18 2 0 1000.00 -999 ? >GLY^A 129 -0.29 14.75 37.59 0.54 14.91 37.40 0.13 14.83 37.50 1 0 1000.00 -999 ? >PRO.A 130 -2.03 13.37 33.80 -0.05 14.24 34.51 -1.04 13.80 34.15 3 0 1000.00 -999 ? >GLU.A 131 3.20 15.60 30.48 4.31 16.26 28.77 3.76 15.93 29.63 2 0 1000.00 -999 ? >ARG^A 132 -1.16 19.14 36.70 -3.47 17.09 36.58 -2.32 18.11 36.64 2 0 1000.00 -999 ? >GLY^A 133 4.05 19.17 39.40 3.96 19.92 39.10 4.01 19.54 39.25 1 0 1000.00 -999 ? >ILE^A 134 4.28 20.93 43.81 4.04 20.96 45.02 4.16 20.95 44.41 3 0 1000.00 -999 ? >GLY^A 135 7.92 23.60 42.79 7.52 23.41 42.09 7.72 23.50 42.44 1 0 1000.00 -999 ? >ARG^A 136 8.02 25.55 37.91 5.07 24.70 38.17 6.55 25.12 38.04 2 0 1000.00 -999 ? >ILE^A 137 14.56 22.80 39.40 15.35 21.69 39.30 14.96 22.25 39.35 3 0 1000.00 -999 ? >GLY^A 138 15.81 26.14 36.37 16.24 26.21 37.09 16.03 26.17 36.73 1 0 1000.00 -999 ? >ASN^A 139 19.81 27.55 34.32 19.88 25.45 34.20 19.84 26.50 34.26 2 0 1000.00 -999 ? >ILE^A 140 20.15 32.04 37.83 20.11 32.05 39.19 20.13 32.05 38.51 3 0 1000.00 -999 ? >GLN^A 141 22.78 35.47 33.30 24.00 34.30 31.91 23.39 34.89 32.60 2 0 1000.00 -999 ? >PRO^A 142 26.60 31.19 35.61 25.42 32.59 36.89 26.01 31.89 36.25 3 0 1000.00 -999 ? >GLN^A 143 23.87 34.74 41.55 22.33 36.18 41.92 23.10 35.46 41.74 2 0 1000.00 -999 ? >THR^A 144 27.69 33.39 44.11 29.22 34.84 44.73 28.46 34.11 44.42 2 0 1000.00 -999 ? >PHE~A 145 25.13 30.47 48.86 23.31 29.53 50.75 24.22 30.00 49.81 3 0 1000.00 -999 ? >TRP~A 146 27.33 38.46 49.05 26.65 38.92 52.90 26.99 38.69 50.98 3 0 1000.00 -999 ? >GLU~A 147 26.80 38.10 44.57 28.00 38.20 42.80 27.40 38.15 43.68 2 0 1000.00 -999 ? >LEU~A 148 21.70 33.47 45.08 19.94 32.31 44.40 20.82 32.89 44.74 3 0 1000.00 -999 ? >ALA~A 149 20.91 35.56 49.02 21.79 35.14 50.20 21.35 35.35 49.61 2 0 1000.00 -999 ? >GLN~A 150 23.57 40.18 49.32 23.06 40.67 51.38 23.32 40.43 50.35 2 0 1000.00 -999 ? >GLN~A 151 18.06 38.54 43.29 18.35 37.34 41.55 18.21 37.94 42.42 2 0 1000.00 -999 ? >VAL~A 152 16.23 37.01 47.37 15.98 34.81 47.65 16.10 35.91 47.51 3 0 1000.00 -999 ? >LYS~A 153 16.07 39.26 50.47 18.83 42.41 55.31 17.45 40.83 52.89 2 0 1000.00 -999 ? >GLN~A 154 16.35 44.36 46.98 17.18 45.04 45.17 16.77 44.70 46.08 2 0 1000.00 -999 ? >VAL~A 155 13.21 40.98 45.60 13.38 39.79 43.73 13.30 40.39 44.67 3 0 1000.00 -999 ? >PHE~A 156 10.97 37.26 47.62 10.70 35.57 45.38 10.84 36.41 46.50 3 0 1000.00 -999 ? >ASP.A 157 9.96 43.31 50.71 9.91 44.59 49.09 9.94 43.95 49.90 2 0 1000.00 -999 ? >LEU.A 158 13.31 39.35 53.50 12.30 37.53 52.67 12.81 38.44 53.08 3 0 1000.00 -999 ? >ASP.A 159 13.12 42.95 58.19 11.22 42.09 58.67 12.17 42.52 58.43 2 0 1000.00 -999 ? >SER.A 160 15.13 38.60 57.48 12.78 38.47 58.09 13.95 38.54 57.79 2 0 1000.00 -999 ? >LEU.A 161 17.19 36.17 53.88 17.30 34.77 52.21 17.24 35.47 53.04 3 0 1000.00 -999 ? >ARG^A 162 16.26 30.28 59.08 15.44 28.96 61.68 15.85 29.62 60.38 2 0 1000.00 -999 ? >MET?A 163 20.89 31.17 54.64 23.51 34.16 53.22 22.20 32.67 53.93 2 0 1000.00 -999 ? >VAL^A 164 21.52 27.39 54.99 19.74 25.97 54.67 20.63 26.68 54.83 3 0 1000.00 -999 ? >HIS.A 165 26.27 28.79 54.67 26.92 30.56 55.57 26.59 29.67 55.12 3 0 1000.00 -999 ? >TYR.A 166 27.46 23.10 58.03 25.57 21.22 58.86 26.51 22.16 58.44 3 0 1000.00 -999 ? >GLN.A 167 32.81 25.44 55.92 33.72 24.03 54.61 33.26 24.74 55.26 2 0 1000.00 -999 ? >GLU.A 168 34.46 31.98 55.53 35.57 33.50 56.61 35.02 32.74 56.07 2 0 1000.00 -999 ? >ASP~A 169 34.71 28.82 51.60 36.13 29.24 53.12 35.42 29.03 52.36 2 0 1000.00 -999 ? >ASP~A 170 29.00 27.86 51.67 29.41 25.86 52.26 29.20 26.86 51.96 2 0 1000.00 -999 ? >LEU~A 171 29.43 33.30 51.38 28.37 33.53 53.31 28.90 33.42 52.34 3 0 1000.00 -999 ? >GLN~A 172 33.33 33.80 48.49 32.11 35.60 48.65 32.72 34.70 48.57 2 0 1000.00 -999 ? >LYS.A 173 30.36 29.02 45.66 28.53 23.20 48.04 29.44 26.11 46.85 2 0 1000.00 -999 ? >PRO^A 174 30.80 28.59 41.37 29.38 29.61 42.73 30.09 29.10 42.05 3 0 1000.00 -999 ? >ILE^A 175 24.20 29.64 42.69 24.03 28.66 43.52 24.11 29.15 43.10 3 0 1000.00 -999 ? >SER^A 176 23.72 28.48 38.25 25.12 26.86 37.30 24.42 27.67 37.78 2 0 1000.00 -999 ? >ARG^A 177 20.14 22.74 37.13 17.50 22.24 35.69 18.82 22.49 36.41 2 0 1000.00 -999 ? >VAL^A 178 18.11 26.95 41.41 18.28 29.03 42.24 18.20 27.99 41.83 3 0 1000.00 -999 ? >ALA^A 179 15.13 25.10 42.82 15.23 23.69 43.33 15.18 24.40 43.07 2 0 1000.00 -999 ? >ILE^A 180 12.16 28.45 43.88 11.71 29.71 43.66 11.93 29.08 43.77 3 0 1000.00 -999 ? >CYH^A 181 8.97 26.03 46.14 7.27 24.01 46.61 8.12 25.02 46.37 2 0 1000.00 -999 ? >GLY.A 182 6.70 28.42 47.93 6.68 27.58 47.98 6.69 28.00 47.95 1 0 1000.00 -999 ? >GLY.A 183 5.25 27.44 51.24 6.02 27.32 50.97 5.63 27.38 51.11 1 0 1000.00 -999 ? >SER.A 184 6.45 24.23 52.90 4.95 24.51 54.87 5.70 24.37 53.88 2 0 1000.00 -999 ? >GLY~A 185 8.51 22.45 50.28 8.91 22.52 50.96 8.71 22.49 50.62 1 0 1000.00 -999 ? >GLN~A 186 10.84 20.17 54.75 10.82 20.75 56.79 10.83 20.46 55.77 2 0 1000.00 -999 ? >SER~A 187 10.18 17.42 51.47 7.79 17.33 51.23 8.99 17.37 51.35 2 0 1000.00 -999 ? >PHE~A 188 8.28 19.00 47.17 5.52 18.90 47.85 6.90 18.95 47.51 3 0 1000.00 -999 ? >TYR~A 189 15.83 18.09 50.42 17.27 16.24 51.94 16.55 17.17 51.18 3 0 1000.00 -999 ? >LYS~A 190 15.66 15.29 47.12 19.21 12.07 50.33 17.44 13.68 48.73 2 0 1000.00 -999 ? >ASP~A 191 12.30 16.43 43.79 11.04 14.82 44.24 11.67 15.62 44.01 2 0 1000.00 -999 ? >ALA~A 192 15.65 19.38 43.66 15.53 20.60 44.61 15.59 19.99 44.13 2 0 1000.00 -999 ? >LEU~A 193 19.16 16.79 45.69 20.94 16.09 46.57 20.05 16.44 46.13 3 0 1000.00 -999 ? >ALA~A 194 18.15 14.78 41.68 17.07 13.72 41.71 17.61 14.25 41.70 2 0 1000.00 -999 ? >LYS~A 195 17.37 17.57 39.17 11.37 16.61 37.83 14.37 17.09 38.50 2 0 1000.00 -999 ? >GLY.A 196 20.73 19.28 39.69 20.15 19.59 40.11 20.44 19.44 39.90 1 0 1000.00 -999 ? >ALA.A 197 19.93 22.23 42.04 18.77 22.35 43.01 19.35 22.29 42.53 2 0 1000.00 -999 ? >ASP.A 198 23.60 25.27 42.80 24.51 24.77 40.98 24.06 25.02 41.89 2 0 1000.00 -999 ? >VAL^A 199 20.42 25.88 45.74 21.10 27.91 46.34 20.76 26.89 46.04 3 0 1000.00 -999 ? >TYR^A 200 15.10 23.43 47.65 12.36 22.74 47.71 13.73 23.08 47.68 3 0 1000.00 -999 ? >ILE^A 201 14.56 29.37 47.37 14.99 30.68 46.95 14.78 30.03 47.16 3 0 1000.00 -999 ? >THR^A 202 11.68 27.02 50.37 11.10 24.92 50.68 11.39 25.97 50.52 2 0 1000.00 -999 ? >GLY.A 203 9.96 28.07 53.62 10.05 27.27 53.44 10.00 27.67 53.53 1 0 1000.00 -999 ? >ASP.A 204 8.12 25.95 56.91 7.60 24.25 58.15 7.86 25.10 57.53 2 0 1000.00 -999 ? >ILE.A 205 14.13 24.81 55.98 15.11 24.61 54.86 14.62 24.71 55.42 3 0 1000.00 -999 ? >TYR~A 206 11.14 20.81 60.16 8.33 20.74 59.98 9.73 20.77 60.07 3 0 1000.00 -999 ? >TYR~A 207 18.06 22.44 63.73 20.62 22.78 64.82 19.34 22.61 64.27 3 0 1000.00 -999 ? >HIS~A 208 17.13 16.09 61.64 18.17 14.27 61.51 17.65 15.18 61.57 3 0 1000.00 -999 ? >THR~A 209 16.23 18.70 57.35 14.27 18.49 56.49 15.25 18.60 56.92 2 0 1000.00 -999 ? >ALA~A 210 18.50 21.71 56.76 18.49 23.02 57.52 18.50 22.37 57.14 2 0 1000.00 -999 ? >GLN~A 211 21.37 20.02 60.56 21.46 19.25 62.54 21.42 19.64 61.55 2 0 1000.00 -999 ? >ASP~A 212 18.94 16.01 55.73 18.82 14.61 57.32 18.88 15.31 56.53 2 0 1000.00 -999 ? >MET?A 213 20.26 19.03 52.67 17.24 21.91 52.28 18.75 20.47 52.47 2 0 1000.00 -999 ? >LEU~A 214 24.12 21.00 54.88 23.93 23.21 54.90 24.03 22.11 54.89 3 0 1000.00 -999 ? >SER~A 215 24.94 16.57 53.92 24.82 15.61 56.11 24.88 16.09 55.01 2 0 1000.00 -999 ? >ASP~A 216 22.13 16.09 49.98 21.07 14.33 50.59 21.60 15.21 50.29 2 0 1000.00 -999 ? >GLY.A 217 25.73 19.00 49.19 24.92 19.09 49.29 25.32 19.05 49.24 1 0 1000.00 -999 ? >LEU.A 218 21.30 20.56 48.59 19.64 21.15 47.33 20.47 20.85 47.96 3 0 1000.00 -999 ? >LEU^A 219 23.69 25.96 49.32 25.86 26.13 49.54 24.77 26.05 49.43 3 0 1000.00 -999 ? >ALA^A 220 19.49 26.51 50.82 18.72 25.52 51.70 19.10 26.02 51.26 2 0 1000.00 -999 ? >LEU^A 221 17.70 30.80 50.31 19.43 31.90 49.65 18.56 31.35 49.98 3 0 1000.00 -999 ? >ASP^A 222 14.77 29.36 55.18 12.93 28.99 56.15 13.85 29.18 55.66 2 0 1000.00 -999 ? >PRO.A 223 11.96 32.10 50.98 12.97 32.51 52.97 12.47 32.31 51.98 3 0 1000.00 -999 ? >GLY~A 224 9.87 32.34 55.41 9.86 32.19 54.59 9.87 32.26 55.00 1 0 1000.00 -999 ? >HIS~A 225 4.98 29.52 55.22 4.34 27.59 54.72 4.66 28.55 54.97 3 0 1000.00 -999 ? >TYR~A 226 4.19 37.06 54.95 1.71 38.38 55.20 2.95 37.72 55.08 3 0 1000.00 -999 ? >ILE~A 227 8.20 34.86 49.65 9.39 34.20 49.53 8.80 34.53 49.59 3 0 1000.00 -999 ? >GLU~A 228 3.66 31.30 50.22 2.57 29.85 51.42 3.11 30.58 50.82 2 0 1000.00 -999 ? >VAL~A 229 1.69 37.19 49.67 2.24 38.68 51.23 1.97 37.93 50.45 3 0 1000.00 -999 ? >ILE~A 230 3.82 36.96 45.30 4.51 38.10 44.82 4.16 37.53 45.06 3 0 1000.00 -999 ? >PHE~A 231 -2.37 33.76 46.42 -5.00 32.68 46.10 -3.69 33.22 46.26 3 0 1000.00 -999 ? >VAL~A 232 -2.69 38.45 46.68 -3.18 39.26 48.68 -2.93 38.85 47.68 3 0 1000.00 -999 ? >GLU~A 233 1.11 40.99 44.50 2.90 41.98 44.11 2.01 41.48 44.31 2 0 1000.00 -999 ? >LYS~A 234 -1.06 38.49 41.34 3.29 39.29 37.88 1.12 38.89 39.61 2 0 1000.00 -999 ? >ILE~A 235 -5.07 35.88 42.64 -5.13 34.83 41.75 -5.10 35.36 42.19 3 0 1000.00 -999 ? >ALA~A 236 -6.08 40.45 42.22 -5.84 41.46 43.38 -5.96 40.96 42.80 2 0 1000.00 -999 ? >ALA~A 237 -4.16 41.73 39.13 -2.64 41.90 39.01 -3.40 41.82 39.07 2 0 1000.00 -999 ? >LEU~A 238 -4.98 37.34 37.27 -4.97 35.74 35.82 -4.98 36.54 36.55 3 0 1000.00 -999 ? >LEU~A 239 -9.55 38.92 39.58 -10.18 36.98 40.47 -9.86 37.95 40.03 3 0 1000.00 -999 ? >SER~A 240 -8.94 42.86 37.39 -8.40 44.09 39.41 -8.67 43.48 38.40 2 0 1000.00 -999 ? >GLN~A 241 -5.68 41.71 32.14 -5.91 43.78 31.49 -5.80 42.75 31.82 2 0 1000.00 -999 ? >TRP~A 242 -9.10 37.45 32.66 -8.80 34.49 35.27 -8.95 35.97 33.97 3 0 1000.00 -999 ? >LYS~A 243 -12.98 42.58 34.80 -13.85 47.87 38.51 -13.41 45.22 36.65 2 0 1000.00 -999 ? >GLU~A 244 -9.88 46.21 33.61 -11.00 47.93 34.20 -10.44 47.07 33.90 2 0 1000.00 -999 ? >ASP~A 245 -10.50 41.42 29.13 -8.47 41.97 29.09 -9.48 41.69 29.11 2 0 1000.00 -999 ? >LYS~A 246 -14.81 40.93 29.89 -12.08 35.25 31.10 -13.45 38.09 30.50 2 0 1000.00 -999 ? >GLY~A 247 -16.68 44.05 31.11 -16.54 43.42 31.54 -16.61 43.73 31.33 1 0 1000.00 -999 ? >TRP.A 248 -16.73 39.85 33.83 -14.07 37.72 35.80 -15.40 38.78 34.82 3 0 1000.00 -999 ? >SER.A 249 -19.44 44.57 37.15 -21.64 43.54 36.82 -20.54 44.06 36.99 2 0 1000.00 -999 ? >ILE.A 250 -17.05 42.25 40.52 -16.72 41.04 40.37 -16.89 41.64 40.44 3 0 1000.00 -999 ? >ASP^A 251 -15.23 46.20 43.72 -16.21 48.00 43.14 -15.72 47.10 43.43 2 0 1000.00 -999 ? >ILE^A 252 -10.92 42.80 41.75 -10.85 42.06 40.94 -10.88 42.43 41.35 3 0 1000.00 -999 ? >LEU^A 253 -10.23 44.73 47.24 -12.13 44.97 48.10 -11.18 44.85 47.67 3 0 1000.00 -999 ? >PRO^A 254 -5.28 44.49 46.42 -6.81 42.97 47.13 -6.04 43.73 46.78 3 0 1000.00 -999 ? >SER.A 255 -6.46 42.05 51.29 -6.74 40.94 53.42 -6.60 41.50 52.35 2 0 1000.00 -999 ? >GLN.A 256 -5.27 46.66 51.54 -3.74 46.44 50.07 -4.51 46.55 50.81 2 0 1000.00 -999 ? >ALA.A 257 -4.65 43.18 56.55 -5.91 42.60 57.16 -5.28 42.89 56.86 2 0 1000.00 -999 ? >SER.A 258 -1.33 41.59 57.38 1.05 41.24 57.61 -0.14 41.41 57.49 2 0 1000.00 -999 ? >THR.A 259 -1.61 38.19 58.94 -2.92 37.31 57.48 -2.26 37.75 58.21 2 0 1000.00 -999 ? >ASN.A 260 3.18 38.60 58.66 5.11 37.74 58.38 4.14 38.17 58.52 2 0 1000.00 -999 ? >PRO.A 261 2.46 34.35 62.09 2.62 36.59 62.22 2.54 35.47 62.16 3 0 1000.00 -999 ? >PHE^A 262 6.76 34.34 62.38 6.02 31.77 62.93 6.39 33.06 62.65 3 0 1000.00 -999 ? >HIS^A 263 6.32 41.30 63.23 4.37 41.28 62.44 5.34 41.29 62.83 3 0 1000.00 -999 ? >HIS^A 264 13.02 37.90 61.86 12.81 35.86 61.42 12.92 36.88 61.64 3 0 1000.00 -999 ? >ILE.A 265 15.96 41.54 65.30 16.61 41.32 64.53 16.29 41.43 64.92 3 0 1000.00 -999 ? >ASN.B -1 42.17 0.41 86.96 43.86 -0.32 88.06 43.02 0.05 87.51 2 0 1000.00 -999 ? >ALA.B 0 40.63 2.56 82.80 40.73 2.32 81.32 40.68 2.44 82.06 2 0 1000.00 -999 ? >MET?B 1 37.23 3.90 83.73 35.27 7.35 85.11 36.25 5.63 84.42 2 0 1000.00 -999 ? >LEU.B 2 33.62 0.80 82.87 34.30 -1.32 82.85 33.96 -0.26 82.86 3 0 1000.00 -999 ? >ALA~B 3 32.14 4.17 80.01 31.97 3.91 78.50 32.06 4.04 79.26 2 0 1000.00 -999 ? >SER~B 4 29.21 2.60 81.92 30.22 0.44 82.54 29.72 1.52 82.23 2 0 1000.00 -999 ? >GLU~B 5 31.93 2.33 86.01 33.77 1.66 86.96 32.85 1.99 86.49 2 0 1000.00 -999 ? >VAL~B 6 30.33 7.76 83.54 31.56 8.72 82.09 30.95 8.24 82.82 3 0 1000.00 -999 ? >ILE~B 7 26.48 5.88 81.22 25.96 6.73 80.40 26.22 6.31 80.81 3 0 1000.00 -999 ? >GLN~B 8 26.01 3.15 86.27 27.36 1.64 87.00 26.68 2.39 86.64 2 0 1000.00 -999 ? >ALA~B 9 26.85 8.94 87.26 28.30 9.48 87.20 27.58 9.21 87.23 2 0 1000.00 -999 ? >TYR~B 10 24.34 11.64 82.16 22.64 13.43 80.75 23.49 12.54 81.46 3 0 1000.00 -999 ? >GLU~B 11 21.38 7.13 83.13 21.51 5.20 82.37 21.44 6.16 82.75 2 0 1000.00 -999 ? >ALA~B 12 21.65 9.20 88.82 22.79 9.00 89.85 22.22 9.10 89.34 2 0 1000.00 -999 ? >PHE~B 13 22.01 15.01 86.67 21.11 17.29 85.25 21.56 16.15 85.96 3 0 1000.00 -999 ? >CYH~B 14 19.15 12.41 84.72 18.60 13.66 82.18 18.88 13.03 83.45 2 0 1000.00 -999 ? >PRO~B 15 16.52 9.56 86.70 17.58 9.69 84.69 17.05 9.63 85.70 3 0 1000.00 -999 ? >GLN~B 16 18.51 6.11 79.88 19.16 4.12 79.32 18.84 5.11 79.60 2 0 1000.00 -999 ? >GLU~B 17 13.80 5.86 84.82 15.61 4.73 84.44 14.71 5.30 84.63 2 0 1000.00 -999 ? >PHE~B 18 13.14 11.43 85.05 12.98 11.22 87.84 13.06 11.32 86.44 3 0 1000.00 -999 ? >SER~B 19 12.42 10.65 78.86 14.59 10.00 77.85 13.50 10.33 78.35 2 0 1000.00 -999 ? >MET?B 20 9.03 11.19 77.24 8.00 15.08 75.96 8.52 13.13 76.60 2 0 1000.00 -999 ? >GLU.B 21 4.90 7.37 75.61 3.10 7.61 76.77 4.00 7.49 76.19 2 0 1000.00 -999 ? >GLY.B 22 8.60 6.96 72.47 9.09 7.32 73.00 8.84 7.14 72.73 1 0 1000.00 -999 ? >ASP.B 23 11.80 10.34 73.82 13.24 11.79 73.29 12.52 11.07 73.55 2 0 1000.00 -999 ? >SER.B 24 15.16 7.92 72.01 15.59 8.05 69.68 15.37 7.98 70.85 2 0 1000.00 -999 ? >ARG^B 25 14.74 5.20 77.12 14.38 3.54 79.72 14.56 4.37 78.42 2 0 1000.00 -999 ? >GLY^B 26 20.49 5.82 76.20 20.43 6.13 75.46 20.46 5.97 75.83 1 0 1000.00 -999 ? >LEU^B 27 24.03 2.95 74.78 26.08 2.38 74.27 25.06 2.66 74.52 3 0 1000.00 -999 ? >GLN^B 28 20.61 5.50 70.19 19.66 6.89 68.90 20.14 6.19 69.54 2 0 1000.00 -999 ? >ILE^B 29 26.33 4.10 67.96 26.59 4.63 66.60 26.46 4.37 67.28 3 0 1000.00 -999 ? >GLY.B 30 28.61 0.83 70.25 27.90 0.72 70.56 28.26 0.77 70.40 1 0 1000.00 -999 ? >THR.B 31 29.34 -0.40 73.78 30.88 -1.92 74.32 30.11 -1.16 74.05 2 0 1000.00 -999 ? >LEU.B 32 28.70 1.75 78.01 27.67 3.56 77.54 28.18 2.65 77.77 3 0 1000.00 -999 ? >ASP.B 33 31.05 -3.44 78.40 28.97 -3.66 78.84 30.01 -3.55 78.62 2 0 1000.00 -999 ? >LYS.B 34 35.11 -1.12 77.74 36.25 -6.07 76.15 35.68 -3.59 76.94 2 0 1000.00 -999 ? >GLY^B 35 37.42 1.25 79.56 37.23 1.20 78.71 37.32 1.22 79.14 1 0 1000.00 -999 ? >ILE^B 36 36.29 5.24 77.50 35.00 5.48 77.50 35.65 5.36 77.50 3 0 1000.00 -999 ? >GLN.B 37 41.90 6.89 76.88 43.92 7.54 76.99 42.91 7.22 76.94 2 0 1000.00 -999 ? >ARG^B 38 40.21 12.48 74.52 42.97 11.07 74.41 41.59 11.78 74.46 2 0 1000.00 -999 ? >VAL^B 39 33.89 11.83 76.63 32.42 11.20 78.12 33.16 11.52 77.37 3 0 1000.00 -999 ? >MET?B 40 32.58 14.52 74.25 33.73 16.14 70.55 33.16 15.33 72.40 2 0 1000.00 -999 ? >VAL^B 41 29.31 16.38 74.83 28.51 16.99 76.81 28.91 16.69 75.82 3 0 1000.00 -999 ? >ALA^B 42 27.41 17.45 71.61 27.80 16.58 70.39 27.60 17.01 71.00 2 0 1000.00 -999 ? >LEU.B 43 23.88 20.26 70.05 21.98 21.31 70.32 22.93 20.78 70.18 3 0 1000.00 -999 ? >ASP.B 44 23.74 17.50 65.94 22.18 18.80 66.12 22.96 18.15 66.03 2 0 1000.00 -999 ? >ILE.B 45 26.78 12.98 65.93 27.58 12.02 66.65 27.18 12.50 66.29 3 0 1000.00 -999 ? >ARG~B 46 24.20 16.51 61.75 22.96 14.65 59.61 23.58 15.58 60.68 2 0 1000.00 -999 ? >GLU~B 47 29.36 14.70 57.31 27.32 15.35 57.17 28.34 15.03 57.24 2 0 1000.00 -999 ? >GLU~B 48 32.52 19.93 60.07 34.58 19.39 59.67 33.55 19.66 59.87 2 0 1000.00 -999 ? >THR~B 49 31.30 16.29 64.91 29.52 16.44 66.10 30.41 16.37 65.51 2 0 1000.00 -999 ? >VAL~B 50 32.57 12.95 63.62 31.63 11.23 62.52 32.10 12.09 63.07 3 0 1000.00 -999 ? >ALA~B 51 35.84 14.46 62.34 35.96 15.54 61.25 35.90 15.00 61.79 2 0 1000.00 -999 ? >GLU~B 52 35.87 18.16 67.42 34.41 19.24 68.56 35.14 18.70 67.99 2 0 1000.00 -999 ? >ALA~B 53 35.67 13.28 67.69 34.34 12.49 67.78 35.00 12.88 67.73 2 0 1000.00 -999 ? >ILE~B 54 38.08 10.98 64.07 38.07 10.17 62.84 38.07 10.58 63.46 3 0 1000.00 -999 ? >GLU~B 55 42.01 15.83 64.40 43.13 17.27 65.54 42.57 16.55 64.97 2 0 1000.00 -999 ? >LYS~B 56 40.49 14.37 69.55 37.70 20.09 70.91 39.10 17.23 70.23 2 0 1000.00 -999 ? >GLY.B 57 40.50 10.58 70.35 39.87 11.08 70.48 40.18 10.83 70.42 1 0 1000.00 -999 ? >VAL.B 58 36.95 10.50 71.79 35.33 12.05 71.80 36.14 11.27 71.80 3 0 1000.00 -999 ? >ASP.B 59 36.09 6.33 74.05 38.18 6.48 74.17 37.14 6.40 74.11 2 0 1000.00 -999 ? >LEU^B 60 31.83 7.84 75.42 29.96 7.42 76.44 30.89 7.63 75.93 3 0 1000.00 -999 ? >ILE^B 61 29.58 11.41 71.20 29.81 12.14 69.97 29.70 11.78 70.59 3 0 1000.00 -999 ? >ILE^B 62 27.04 12.61 76.45 26.59 12.38 77.91 26.81 12.50 77.18 3 0 1000.00 -999 ? >VAL^B 63 24.37 13.71 72.58 24.02 13.10 70.40 24.19 13.40 71.49 3 0 1000.00 -999 ? >LYS.B 64 20.98 15.42 72.83 16.98 18.43 74.28 18.98 16.93 73.55 2 0 1000.00 -999 ? >HIS.B 65 18.96 17.03 68.79 17.99 18.71 69.60 18.48 17.87 69.19 3 0 1000.00 -999 ? >ALA.B 66 19.72 10.96 68.53 18.52 10.07 68.76 19.12 10.52 68.65 2 0 1000.00 -999 ? >PRO.B 67 23.43 9.28 66.84 21.45 10.05 66.04 22.44 9.67 66.44 3 0 1000.00 -999 ? >ILE.B 68 19.65 5.44 65.60 20.04 4.06 65.36 19.84 4.75 65.48 3 0 1000.00 -999 ? >PHE.B 69 16.21 10.46 63.29 16.41 10.97 60.52 16.31 10.71 61.91 3 0 1000.00 -999 ? >ARG.B 70 13.30 7.51 59.54 14.37 9.65 57.59 13.84 8.58 58.57 2 0 1000.00 -999 ? >PRO.B 71 12.65 1.95 63.06 14.46 3.11 62.36 13.56 2.53 62.71 3 0 1000.00 -999 ? >ILE.B 72 19.13 1.76 60.12 20.44 2.09 60.49 19.78 1.93 60.30 3 0 1000.00 -999 ? >LYS.B 73 16.44 0.30 56.34 12.38 2.47 58.17 14.41 1.39 57.26 2 0 1000.00 -999 ? >ASP.B 74 19.95 -0.45 53.52 19.79 1.52 52.69 19.87 0.53 53.10 2 0 1000.00 -999 ? >LEU.B 75 24.47 -0.70 56.56 24.18 -0.86 58.76 24.33 -0.78 57.66 3 0 1000.00 -999 ? >LEU.B 76 23.33 1.99 51.07 22.62 0.71 49.46 22.98 1.35 50.26 3 0 1000.00 -999 ? >ALA.B 77 27.49 3.81 52.19 28.91 3.35 51.68 28.20 3.58 51.94 2 0 1000.00 -999 ? >SER.B 78 25.90 6.21 49.62 24.17 4.92 48.55 25.04 5.56 49.09 2 0 1000.00 -999 ? >ARG~B 79 20.49 5.26 52.96 18.62 4.58 50.59 19.56 4.92 51.77 2 0 1000.00 -999 ? >PRO~B 80 24.49 11.82 52.38 24.74 10.02 53.74 24.61 10.92 53.06 3 0 1000.00 -999 ? >GLN~B 81 21.59 9.03 59.31 22.42 10.64 60.51 22.01 9.83 59.91 2 0 1000.00 -999 ? >ASN~B 82 24.63 4.72 56.15 22.59 4.18 56.32 23.61 4.45 56.24 2 0 1000.00 -999 ? >GLN~B 83 30.24 8.48 55.09 31.35 6.68 54.69 30.79 7.58 54.89 2 0 1000.00 -999 ? >ILE~B 84 27.17 9.95 60.31 26.72 11.15 60.81 26.95 10.55 60.56 3 0 1000.00 -999 ? >TYR~B 85 24.76 5.29 61.27 22.19 6.39 61.72 23.47 5.84 61.50 3 0 1000.00 -999 ? >ILE~B 86 30.25 3.95 57.86 30.36 3.27 56.54 30.30 3.61 57.20 3 0 1000.00 -999 ? >ASP~B 87 32.94 7.85 60.17 33.35 8.05 58.05 33.15 7.95 59.11 2 0 1000.00 -999 ? >LEU~B 88 30.25 6.43 64.79 29.53 8.43 65.36 29.89 7.43 65.07 3 0 1000.00 -999 ? >ILE~B 89 30.89 1.46 63.27 29.95 0.54 62.86 30.42 1.00 63.07 3 0 1000.00 -999 ? >LYS~B 90 35.24 2.16 62.54 35.64 2.47 56.19 35.44 2.32 59.36 2 0 1000.00 -999 ? >HIS~B 91 37.62 6.35 63.58 38.43 6.64 61.66 38.02 6.49 62.62 3 0 1000.00 -999 ? >ASP.B 92 35.91 1.97 68.72 36.43 0.26 67.60 36.17 1.12 68.16 2 0 1000.00 -999 ? >ILE.B 93 33.01 7.30 68.35 33.49 8.48 67.94 33.25 7.89 68.14 3 0 1000.00 -999 ? >ALA^B 94 30.05 5.01 71.30 30.17 4.34 72.65 30.11 4.68 71.97 2 0 1000.00 -999 ? >VAL^B 95 27.01 7.29 71.27 26.64 8.44 69.41 26.83 7.87 70.34 3 0 1000.00 -999 ? >TYR^B 96 24.42 7.85 76.76 22.67 7.83 78.94 23.55 7.84 77.85 3 0 1000.00 -999 ? >VAL^B 97 21.36 9.96 73.94 20.07 9.84 72.19 20.71 9.90 73.07 3 0 1000.00 -999 ? >SER^B 98 19.90 12.37 76.53 19.93 13.55 78.58 19.92 12.96 77.55 2 0 1000.00 -999 ? >HIS~B 99 15.75 14.25 72.56 14.65 15.44 71.22 15.20 14.85 71.89 3 0 1000.00 -999 ? >THR~B 100 13.78 14.99 76.53 12.15 14.00 75.59 12.96 14.49 76.06 2 0 1000.00 -999 ? >ASN~B 101 15.43 12.29 80.33 17.28 11.74 79.43 16.36 12.02 79.88 2 0 1000.00 -999 ? >ILE~B 102 18.71 16.86 79.46 19.30 17.29 79.77 19.01 17.08 79.62 3 0 1000.00 -999 ? >ASP~B 103 13.61 18.81 78.08 14.77 19.24 76.34 14.19 19.02 77.21 2 0 1000.00 -999 ? >ILE~B 104 11.61 16.01 81.80 10.69 15.13 81.45 11.15 15.57 81.63 3 0 1000.00 -999 ? >VAL~B 105 14.74 16.87 84.94 16.79 16.19 85.34 15.77 16.53 85.14 3 0 1000.00 -999 ? >GLU.B 106 14.02 20.24 89.83 13.38 19.86 91.80 13.70 20.05 90.82 2 0 1000.00 -999 ? >ASN.B 107 19.24 21.11 88.45 18.52 21.73 90.41 18.88 21.42 89.43 2 0 1000.00 -999 ? >GLY~B 108 18.07 20.51 83.64 17.83 21.29 83.88 17.95 20.90 83.76 1 0 1000.00 -999 ? >LEU~B 109 17.95 21.88 79.09 18.95 22.64 77.34 18.45 22.26 78.21 3 0 1000.00 -999 ? >ASN~B 110 13.27 23.85 80.80 12.94 23.18 78.80 13.11 23.52 79.80 2 0 1000.00 -999 ? >ASP~B 111 16.08 24.22 85.63 14.32 23.17 86.12 15.20 23.69 85.88 2 0 1000.00 -999 ? >TRP~B 112 20.74 24.45 84.42 21.86 21.59 81.95 21.30 23.02 83.18 3 0 1000.00 -999 ? >PHE~B 113 16.51 27.61 78.64 17.50 26.17 76.44 17.01 26.89 77.54 3 0 1000.00 -999 ? >CYH~B 114 14.84 30.07 83.67 12.52 28.59 83.65 13.68 29.33 83.66 2 0 1000.00 -999 ? >GLN~B 115 18.56 28.73 87.03 20.02 27.18 87.30 19.29 27.95 87.16 2 0 1000.00 -999 ? >MET?B 116 19.41 32.80 82.78 21.10 30.04 80.06 20.26 31.42 81.42 2 0 1000.00 -999 ? >LEU~B 117 15.14 34.35 81.22 15.07 34.40 79.01 15.10 34.38 80.11 3 0 1000.00 -999 ? >GLY~B 118 15.31 35.23 85.89 14.84 34.79 85.37 15.08 35.01 85.63 1 0 1000.00 -999 ? >ILE.B 119 11.62 32.35 84.50 10.92 32.11 83.29 11.27 32.23 83.90 3 0 1000.00 -999 ? >GLU^B 120 12.18 34.51 90.09 14.22 34.33 90.49 13.20 34.42 90.29 2 0 1000.00 -999 ? >GLU^B 121 8.30 31.96 92.97 7.61 34.00 92.93 7.96 32.98 92.95 2 0 1000.00 -999 ? >THR^B 122 8.69 27.63 88.36 10.74 27.66 87.54 9.72 27.65 87.95 2 0 1000.00 -999 ? >THR^B 123 6.69 24.50 87.52 4.49 24.04 87.74 5.59 24.27 87.63 2 0 1000.00 -999 ? >TYR.B 124 5.81 20.14 85.29 4.18 18.68 87.03 4.99 19.41 86.16 3 0 1000.00 -999 ? >LEU.B 125 4.53 23.39 79.99 4.96 25.42 79.43 4.75 24.40 79.71 3 0 1000.00 -999 ? >GLN^B 126 1.89 17.88 78.88 1.73 17.38 76.82 1.81 17.63 77.85 2 0 1000.00 -999 ? >GLU^B 127 2.39 15.20 85.18 1.11 15.11 86.86 1.75 15.16 86.02 2 0 1000.00 -999 ? >THR^B 128 5.16 13.53 82.06 6.85 14.52 81.21 6.01 14.03 81.63 2 0 1000.00 -999 ? >GLY^B 129 5.23 11.69 85.34 5.16 12.50 85.52 5.20 12.09 85.43 1 0 1000.00 -999 ? >PRO.B 130 5.24 9.42 88.98 5.09 11.61 88.42 5.16 10.52 88.70 3 0 1000.00 -999 ? >GLU.B 131 4.66 15.10 92.27 4.69 15.85 94.27 4.67 15.48 93.27 2 0 1000.00 -999 ? >ARG^B 132 9.63 13.00 86.10 8.99 10.01 86.06 9.31 11.51 86.08 2 0 1000.00 -999 ? >GLY^B 133 7.31 17.30 83.16 7.89 17.76 83.48 7.60 17.53 83.32 1 0 1000.00 -999 ? >ILE^B 134 8.33 18.54 78.72 8.61 18.40 77.74 8.47 18.47 78.23 3 0 1000.00 -999 ? >GLY.B 135 8.75 23.02 79.84 8.89 22.57 80.56 8.82 22.79 80.20 1 0 1000.00 -999 ? >ARG^B 136 10.64 24.10 84.72 11.60 21.16 84.57 11.12 22.63 84.64 2 0 1000.00 -999 ? >ILE^B 137 4.97 28.44 83.25 3.64 28.57 83.35 4.31 28.51 83.30 3 0 1000.00 -999 ? >GLY^B 138 7.11 31.23 86.16 6.99 31.61 85.43 7.05 31.42 85.79 1 0 1000.00 -999 ? >ASN^B 139 6.43 35.29 88.30 4.47 34.47 88.38 5.45 34.88 88.34 2 0 1000.00 -999 ? >ILE^B 140 10.04 37.81 84.51 9.85 37.87 83.17 9.95 37.84 83.84 3 0 1000.00 -999 ? >GLN^B 141 12.17 41.38 89.05 10.97 42.20 90.62 11.57 41.79 89.83 2 0 1000.00 -999 ? >PRO^B 142 6.45 42.96 87.03 8.19 42.69 85.61 7.32 42.83 86.32 3 0 1000.00 -999 ? >GLN^B 143 10.61 42.69 80.85 12.66 42.14 80.56 11.64 42.41 80.71 2 0 1000.00 -999 ? >THR^B 144 7.47 45.01 78.27 8.10 46.99 77.65 7.79 46.00 77.96 2 0 1000.00 -999 ? >PHE~B 145 6.35 41.23 73.57 6.60 39.15 71.67 6.47 40.19 72.62 3 0 1000.00 -999 ? >TRP~B 146 12.02 47.36 73.24 12.84 46.61 69.47 12.43 46.99 71.36 3 0 1000.00 -999 ? >GLU~B 147 12.23 46.72 77.73 11.54 47.72 79.50 11.89 47.22 78.62 2 0 1000.00 -999 ? >LEU~B 148 10.72 39.93 77.47 10.42 37.84 78.10 10.57 38.88 77.78 3 0 1000.00 -999 ? >ALA~B 149 12.76 40.06 73.42 11.93 40.55 72.27 12.35 40.31 72.85 2 0 1000.00 -999 ? >GLN~B 150 15.46 44.65 72.99 16.49 44.78 71.10 15.98 44.72 72.05 2 0 1000.00 -999 ? >GLN~B 151 16.83 39.40 79.29 15.59 38.98 80.99 16.21 39.19 80.14 2 0 1000.00 -999 ? >VAL~B 152 16.37 36.88 75.12 14.56 35.54 74.90 15.47 36.21 75.01 3 0 1000.00 -999 ? >LYS~B 153 18.40 38.02 72.02 19.90 42.03 67.24 19.15 40.02 69.63 2 0 1000.00 -999 ? >GLN~B 154 22.81 40.65 75.43 22.84 41.59 77.28 22.83 41.12 76.35 2 0 1000.00 -999 ? >VAL~B 155 21.26 36.33 76.94 19.99 35.88 78.72 20.62 36.11 77.83 3 0 1000.00 -999 ? >PHE~B 156 19.35 32.49 74.83 17.85 31.43 76.92 18.60 31.96 75.87 3 0 1000.00 -999 ? >ASP.B 157 25.23 34.84 71.91 26.20 35.69 73.59 25.71 35.27 72.75 2 0 1000.00 -999 ? >LEU.B 158 19.86 35.23 69.17 18.99 33.33 69.96 19.42 34.28 69.56 3 0 1000.00 -999 ? >ASP.B 159 22.93 37.17 64.61 23.30 35.11 64.21 23.11 36.14 64.41 2 0 1000.00 -999 ? >SER.B 160 18.16 37.17 65.17 17.63 35.68 63.34 17.89 36.43 64.26 2 0 1000.00 -999 ? >LEU.B 161 15.19 36.52 68.65 13.94 36.51 70.39 14.56 36.52 69.52 3 0 1000.00 -999 ? >ARG^B 162 10.35 33.40 63.37 9.79 32.10 60.64 10.07 32.75 62.01 2 0 1000.00 -999 ? >MET?B 163 8.90 37.92 67.79 10.35 41.70 69.03 9.63 39.81 68.41 2 0 1000.00 -999 ? >VAL^B 164 5.34 36.65 67.65 4.91 34.47 67.97 5.13 35.56 67.81 3 0 1000.00 -999 ? >HIS.B 165 4.42 41.47 67.81 5.77 42.73 66.81 5.10 42.10 67.31 3 0 1000.00 -999 ? >TYR.B 166 -1.21 39.67 64.46 -2.02 37.13 63.68 -1.62 38.40 64.07 3 0 1000.00 -999 ? >GLN~B 167 -1.89 46.08 67.30 -3.16 46.28 69.06 -2.53 46.18 68.18 2 0 1000.00 -999 ? >GLU~B 168 4.50 49.58 66.63 4.34 51.57 65.85 4.42 50.57 66.24 2 0 1000.00 -999 ? >ASP~B 169 0.23 48.56 70.71 -0.28 49.99 69.27 -0.02 49.27 69.99 2 0 1000.00 -999 ? >ASP~B 170 2.21 43.17 70.68 0.19 42.58 70.11 1.20 42.88 70.39 2 0 1000.00 -999 ? >LEU~B 171 6.48 46.57 70.93 7.27 45.88 69.06 6.88 46.23 70.00 3 0 1000.00 -999 ? >GLN~B 172 5.12 49.96 73.60 7.23 50.23 74.02 6.18 50.10 73.81 2 0 1000.00 -999 ? >LYS.B 173 2.70 45.08 76.69 -1.30 40.79 74.34 0.70 42.93 75.52 2 0 1000.00 -999 ? >PRO^B 174 1.70 45.40 80.96 3.40 44.64 79.72 2.55 45.02 80.34 3 0 1000.00 -999 ? >ILE^B 175 5.92 40.16 79.74 5.17 39.55 78.81 5.55 39.85 79.27 3 0 1000.00 -999 ? >SER^B 176 5.33 39.18 84.13 3.22 39.57 85.24 4.28 39.38 84.69 2 0 1000.00 -999 ? >ARG^B 177 2.00 33.29 85.27 2.87 30.84 86.93 2.44 32.07 86.10 2 0 1000.00 -999 ? >VAL^B 178 6.70 33.48 81.12 8.44 34.62 80.33 7.57 34.05 80.73 3 0 1000.00 -999 ? >ALA^B 179 6.74 29.96 79.78 5.50 29.40 79.19 6.12 29.68 79.48 2 0 1000.00 -999 ? >ILE^B 180 11.14 29.16 78.61 12.37 29.43 78.77 11.76 29.29 78.69 3 0 1000.00 -999 ? >CYH^B 181 10.57 25.17 76.41 9.33 22.72 76.01 9.95 23.94 76.21 2 0 1000.00 -999 ? >GLY^B 182 13.81 24.33 74.67 13.05 24.05 74.59 13.43 24.19 74.63 1 0 1000.00 -999 ? >GLY^B 183 13.53 22.89 71.17 13.00 23.36 71.54 13.26 23.13 71.36 1 0 1000.00 -999 ? >SER^B 184 10.23 21.94 69.57 11.07 21.01 67.39 10.65 21.48 68.48 2 0 1000.00 -999 ? >GLY.B 185 7.69 22.92 72.18 7.51 23.27 71.51 7.60 23.09 71.85 1 0 1000.00 -999 ? >GLN.B 186 4.51 23.72 67.81 4.89 24.12 65.76 4.70 23.92 66.79 2 0 1000.00 -999 ? >SER.B 187 2.42 21.65 71.11 3.66 19.54 71.24 3.04 20.59 71.18 2 0 1000.00 -999 ? >PHE~B 188 4.59 21.23 75.45 5.89 18.87 74.87 5.24 20.05 75.16 3 0 1000.00 -999 ? >TYR~B 189 0.18 27.15 72.09 -2.12 27.43 70.54 -0.97 27.29 71.31 3 0 1000.00 -999 ? >LYS~B 190 -2.21 25.48 75.50 -6.23 26.84 71.58 -4.22 26.16 73.54 2 0 1000.00 -999 ? >ASP~B 191 0.53 23.21 78.77 -0.23 21.24 78.29 0.15 22.22 78.53 2 0 1000.00 -999 ? >ALA~B 192 1.30 27.67 78.89 2.30 28.18 77.81 1.80 27.92 78.35 2 0 1000.00 -999 ? >LEU~B 193 -2.72 29.48 76.89 -4.22 30.78 76.07 -3.47 30.13 76.48 3 0 1000.00 -999 ? >ALA~B 194 -3.80 27.48 80.86 -4.09 25.98 80.83 -3.95 26.73 80.84 2 0 1000.00 -999 ? >LYS~B 195 -1.10 28.23 83.49 0.74 22.26 84.60 -0.18 25.25 84.05 2 0 1000.00 -999 ? >GLY.B 196 -1.23 31.95 82.86 -0.62 31.62 82.48 -0.92 31.78 82.67 1 0 1000.00 -999 ? >ALA.B 197 1.70 32.83 80.58 2.49 31.81 79.67 2.09 32.32 80.13 2 0 1000.00 -999 ? >ASP.B 198 2.28 37.59 79.55 1.58 38.02 81.55 1.93 37.80 80.55 2 0 1000.00 -999 ? >VAL^B 199 4.60 34.94 76.73 6.11 36.47 76.09 5.36 35.71 76.41 3 0 1000.00 -999 ? >TYR^B 200 5.14 29.19 74.78 5.81 26.46 74.89 5.48 27.82 74.83 3 0 1000.00 -999 ? >ILE^B 201 10.59 31.61 75.34 11.53 32.61 75.70 11.06 32.11 75.52 3 0 1000.00 -999 ? >THR^B 202 9.94 27.96 72.26 8.32 26.51 71.84 9.13 27.23 72.05 2 0 1000.00 -999 ? >GLY^B 203 11.68 26.92 69.03 10.95 26.60 69.21 11.32 26.76 69.12 1 0 1000.00 -999 ? >ASP.B 204 10.78 24.27 65.68 9.48 22.98 64.51 10.13 23.62 65.09 2 0 1000.00 -999 ? >ILE.B 205 6.72 28.92 66.58 6.08 29.62 67.75 6.40 29.27 67.17 3 0 1000.00 -999 ? >TYR~B 206 4.81 24.39 62.43 5.93 21.81 62.58 5.37 23.10 62.51 3 0 1000.00 -999 ? >TYR~B 207 2.75 31.13 58.74 1.52 33.39 57.59 2.13 32.26 58.17 3 0 1000.00 -999 ? >HIS~B 208 -2.27 27.25 61.04 -4.36 27.14 61.33 -3.31 27.19 61.18 3 0 1000.00 -999 ? >THR~B 209 0.49 27.67 65.18 1.27 25.93 66.22 0.88 26.80 65.70 2 0 1000.00 -999 ? >ALA~B 210 1.84 31.21 65.81 2.97 31.84 65.05 2.41 31.52 65.43 2 0 1000.00 -999 ? >GLN~B 211 -1.11 33.10 62.00 -1.67 32.77 59.96 -1.39 32.94 60.98 2 0 1000.00 -999 ? >ASP~B 212 -3.31 28.73 66.86 -4.24 27.90 65.17 -3.77 28.31 66.01 2 0 1000.00 -999 ? >MET?B 213 -1.29 31.41 69.87 2.81 30.30 70.27 0.76 30.85 70.07 2 0 1000.00 -999 ? >LEU~B 214 -1.58 35.64 67.65 0.40 36.56 67.62 -0.59 36.10 67.64 3 0 1000.00 -999 ? >SER~B 215 -5.86 34.18 68.50 -6.34 33.42 66.26 -6.10 33.80 67.38 2 0 1000.00 -999 ? >ASP~B 216 -4.83 31.62 72.53 -5.79 29.82 71.88 -5.31 30.72 72.20 2 0 1000.00 -999 ? >GLY.B 217 -3.90 36.21 73.11 -3.51 35.50 73.12 -3.71 35.86 73.11 1 0 1000.00 -999 ? >LEU.B 218 -0.42 33.05 73.96 0.93 31.89 75.24 0.25 32.47 74.60 3 0 1000.00 -999 ? >LEU^B 219 3.19 37.70 73.21 2.34 39.70 72.85 2.77 38.70 73.03 3 0 1000.00 -999 ? >ALA^B 220 5.68 34.24 71.78 5.28 33.01 70.90 5.48 33.63 71.34 2 0 1000.00 -999 ? >LEU^B 221 10.30 34.92 72.27 10.37 37.04 72.85 10.34 35.98 72.56 3 0 1000.00 -999 ? >ASP^B 222 10.49 31.48 67.38 11.33 29.64 66.59 10.91 30.56 66.98 2 0 1000.00 -999 ? >PRO.B 223 14.26 30.57 71.41 14.20 31.84 69.54 14.23 31.21 70.47 3 0 1000.00 -999 ? >GLY~B 224 15.51 29.06 67.07 15.48 29.02 67.89 15.49 29.04 67.48 1 0 1000.00 -999 ? >HIS~B 225 15.98 23.29 67.23 14.82 21.64 67.81 15.40 22.47 67.52 3 0 1000.00 -999 ? >TYR~B 226 22.66 26.50 67.60 25.03 24.98 67.28 23.84 25.74 67.44 3 0 1000.00 -999 ? >ILE~B 227 18.52 28.82 72.87 17.27 29.36 73.03 17.90 29.09 72.95 3 0 1000.00 -999 ? >GLU~B 228 18.89 22.73 71.62 17.03 21.79 71.25 17.96 22.26 71.43 2 0 1000.00 -999 ? >VAL~B 229 23.86 24.49 72.82 24.84 25.78 71.30 24.35 25.13 72.06 3 0 1000.00 -999 ? >ILE~B 230 22.46 26.14 77.27 23.01 27.52 77.55 22.74 26.83 77.41 3 0 1000.00 -999 ? >PHE~B 231 22.84 19.17 75.95 23.27 16.35 76.17 23.05 17.76 76.06 3 0 1000.00 -999 ? >VAL~B 232 26.98 21.16 75.62 27.92 21.18 73.61 27.45 21.17 74.62 3 0 1000.00 -999 ? >GLU~B 233 28.84 26.07 78.97 28.78 28.22 78.73 28.81 27.14 78.85 2 0 1000.00 -999 ? >LYS~B 234 26.46 22.84 81.07 25.33 26.43 84.79 25.89 24.64 82.93 2 0 1000.00 -999 ? >ILE~B 235 25.84 18.16 79.90 24.81 17.13 79.90 25.32 17.65 79.90 3 0 1000.00 -999 ? >ALA~B 236 30.55 19.21 79.90 31.21 19.92 78.74 30.88 19.57 79.32 2 0 1000.00 -999 ? >ALA~B 237 31.02 21.44 83.01 30.48 22.87 83.23 30.75 22.15 83.12 2 0 1000.00 -999 ? >LEU~B 238 27.37 18.68 84.82 26.09 17.93 86.47 26.73 18.30 85.64 3 0 1000.00 -999 ? >LEU~B 239 30.81 15.37 82.73 29.50 13.84 82.02 30.16 14.60 82.38 3 0 1000.00 -999 ? >SER~B 240 34.27 17.91 84.39 34.97 18.92 82.35 34.62 18.41 83.37 2 0 1000.00 -999 ? >GLN~B 241 32.38 20.40 89.84 34.22 21.52 89.96 33.30 20.96 89.90 2 0 1000.00 -999 ? >TRP~B 242 29.64 15.46 89.54 26.92 13.93 87.15 28.28 14.69 88.34 3 0 1000.00 -999 ? >LYS~B 243 35.70 14.20 87.17 40.40 15.52 83.88 38.05 14.86 85.53 2 0 1000.00 -999 ? >GLU~B 244 38.32 18.59 87.93 40.51 18.58 87.88 39.42 18.59 87.90 2 0 1000.00 -999 ? >ASP~B 245 34.38 16.32 92.94 33.87 18.39 92.63 34.12 17.36 92.79 2 0 1000.00 -999 ? >LYS~B 246 35.58 12.17 92.22 29.42 11.89 90.71 32.50 12.03 91.46 2 0 1000.00 -999 ? >GLY~B 247 39.13 11.65 90.83 38.42 11.44 90.47 38.78 11.54 90.65 1 0 1000.00 -999 ? >TRP.B 248 35.25 9.52 88.42 32.15 10.84 86.37 33.70 10.18 87.40 3 0 1000.00 -999 ? >SER.B 249 40.61 8.97 85.08 40.42 6.55 85.11 40.51 7.76 85.10 2 0 1000.00 -999 ? >ILE.B 250 37.55 9.96 81.60 36.29 9.27 81.81 36.92 9.62 81.71 3 0 1000.00 -999 ? >ASP^B 251 39.92 14.15 78.82 42.02 14.22 79.38 40.97 14.19 79.10 2 0 1000.00 -999 ? >ILE^B 252 34.53 15.67 80.51 34.13 15.16 81.15 34.33 15.41 80.83 3 0 1000.00 -999 ? >LEU^B 253 36.24 17.41 75.02 38.20 16.48 75.06 37.22 16.95 75.04 3 0 1000.00 -999 ? >PRO^B 254 33.89 21.93 75.92 33.23 19.83 75.31 33.56 20.88 75.61 3 0 1000.00 -999 ? >SER.B 255 32.15 19.63 71.18 31.16 19.14 69.03 31.65 19.39 70.11 2 0 1000.00 -999 ? >GLN.B 256 35.43 23.38 69.45 36.63 24.41 70.80 36.03 23.90 70.12 2 0 1000.00 -999 ? >ALA.B 257 32.22 21.92 65.72 32.47 20.61 65.01 32.34 21.27 65.37 2 0 1000.00 -999 ? >SER.B 258 29.08 23.97 64.91 27.63 25.98 64.49 28.35 24.97 64.70 2 0 1000.00 -999 ? >THR.B 259 26.28 21.95 63.39 26.33 20.26 64.72 26.31 21.10 64.05 2 0 1000.00 -999 ? >ASN.B 260 24.23 26.26 63.88 22.59 27.57 63.85 23.41 26.92 63.87 2 0 1000.00 -999 ? >PRO.B 261 20.83 23.81 60.30 22.76 24.94 60.25 21.79 24.38 60.28 3 0 1000.00 -999 ? >PHE^B 262 18.92 27.51 60.10 17.02 25.69 59.29 17.97 26.60 59.69 3 0 1000.00 -999 ? >HIS^B 263 25.06 30.41 59.03 25.85 28.69 59.94 25.46 29.55 59.48 3 0 1000.00 -999 ? >HIS^B 264 18.81 34.76 60.59 17.05 33.67 60.92 17.93 34.22 60.75 3 0 1000.00 -999 ? >ILE.B 265 20.43 38.94 56.77 19.66 40.02 56.72 20.05 39.48 56.75 3 0 1000.00 -999 ? >ALA.C 0 -30.87 -38.52 39.28 -30.88 -38.70 40.85 -30.88 -38.61 40.06 2 0 1000.00 -999 ? >MET?C 1 -29.83 -35.09 38.07 -32.57 -32.08 37.25 -31.20 -33.59 37.66 2 0 1000.00 -999 ? >LEU~C 2 -25.49 -33.35 39.51 -24.02 -35.05 39.43 -24.75 -34.20 39.47 3 0 1000.00 -999 ? >ALA~C 3 -27.88 -30.37 42.07 -27.63 -30.22 43.59 -27.75 -30.29 42.83 2 0 1000.00 -999 ? >SER~C 4 -25.17 -28.52 40.03 -23.61 -30.17 39.22 -24.39 -29.34 39.63 2 0 1000.00 -999 ? >GLU~C 5 -28.18 -30.00 34.64 -29.26 -31.65 33.76 -28.72 -30.83 34.20 2 0 1000.00 -999 ? >VAL~C 6 -30.08 -26.87 38.53 -31.73 -27.37 39.93 -30.90 -27.12 39.23 3 0 1000.00 -999 ? >ILE~C 7 -26.50 -24.54 40.77 -26.95 -23.62 41.67 -26.72 -24.08 41.22 3 0 1000.00 -999 ? >GLN~C 8 -24.31 -25.86 35.35 -23.94 -27.33 33.85 -24.12 -26.60 34.60 2 0 1000.00 -999 ? >ALA~C 9 -29.47 -23.05 34.81 -30.65 -23.96 34.86 -30.06 -23.51 34.84 2 0 1000.00 -999 ? >TYR~C 10 -30.17 -19.63 40.01 -30.90 -17.28 41.38 -30.54 -18.46 40.70 3 0 1000.00 -999 ? >GLU~C 11 -24.80 -19.66 38.89 -23.18 -20.88 39.47 -23.99 -20.27 39.18 2 0 1000.00 -999 ? >ALA~C 12 -27.01 -18.51 33.37 -27.27 -19.64 32.37 -27.14 -19.08 32.87 2 0 1000.00 -999 ? >PHE~C 13 -32.21 -15.78 35.51 -33.68 -13.78 36.74 -32.95 -14.78 36.12 3 0 1000.00 -999 ? >CYH~C 14 -28.44 -14.87 37.46 -29.21 -13.68 39.84 -28.83 -14.27 38.65 2 0 1000.00 -999 ? >PRO~C 15 -24.74 -14.06 35.35 -25.29 -14.91 37.37 -25.01 -14.49 36.36 3 0 1000.00 -999 ? >GLN~C 16 -22.32 -17.42 41.88 -21.01 -18.89 42.64 -21.67 -18.16 42.26 2 0 1000.00 -999 ? >GLU~C 17 -18.92 -13.49 38.03 -20.05 -15.21 37.44 -19.49 -14.35 37.73 2 0 1000.00 -999 ? >PHE~C 18 -24.69 -10.11 37.05 -24.57 -9.91 34.26 -24.63 -10.01 35.65 3 0 1000.00 -999 ? >SER~C 19 -23.47 -9.97 43.12 -23.85 -12.19 43.99 -23.66 -11.08 43.55 2 0 1000.00 -999 ? >MET?C 20 -22.13 -6.75 44.71 -24.57 -3.73 46.20 -23.35 -5.24 45.46 2 0 1000.00 -999 ? >GLU.C 21 -16.07 -5.68 45.52 -15.05 -3.79 45.81 -15.56 -4.73 45.67 2 0 1000.00 -999 ? >GLY.C 22 -17.89 -8.60 49.12 -18.57 -8.73 48.69 -18.23 -8.67 48.90 1 0 1000.00 -999 ? >ASP.C 23 -22.46 -9.59 48.15 -24.41 -9.94 48.77 -23.43 -9.76 48.46 2 0 1000.00 -999 ? >SER.C 24 -22.12 -13.73 49.99 -22.26 -14.02 52.38 -22.19 -13.88 51.19 2 0 1000.00 -999 ? >ARG.C 25 -19.69 -14.57 44.93 -19.49 -11.44 44.94 -19.59 -13.01 44.94 2 0 1000.00 -999 ? >GLY^C 26 -23.26 -19.34 45.70 -23.43 -19.11 46.44 -23.34 -19.23 46.07 1 0 1000.00 -999 ? >LEU^C 27 -22.41 -23.83 47.11 -22.95 -25.83 47.63 -22.68 -24.83 47.37 3 0 1000.00 -999 ? >GLN^C 28 -22.98 -19.60 51.60 -23.45 -18.21 53.09 -23.22 -18.91 52.34 2 0 1000.00 -999 ? >ILE^C 29 -24.30 -25.30 54.03 -24.86 -25.16 55.26 -24.58 -25.23 54.64 3 0 1000.00 -999 ? >GLY.C 30 -22.95 -28.97 51.58 -22.48 -28.39 51.28 -22.72 -28.68 51.43 1 0 1000.00 -999 ? >THR.C 31 -22.26 -29.99 48.00 -21.76 -31.98 47.35 -22.01 -30.99 47.67 2 0 1000.00 -999 ? >LEU.C 32 -23.75 -28.43 43.78 -24.85 -26.63 44.19 -24.30 -27.53 43.98 3 0 1000.00 -999 ? >ASP.C 33 -20.84 -33.00 42.58 -19.48 -32.16 43.99 -20.16 -32.58 43.28 2 0 1000.00 -999 ? >LYS.C 34 -24.75 -35.49 44.20 -20.73 -37.88 45.65 -22.74 -36.68 44.93 2 0 1000.00 -999 ? >GLY.C 35 -28.02 -36.48 42.56 -27.84 -36.21 43.35 -27.93 -36.34 42.96 1 0 1000.00 -999 ? >ILE.C 36 -30.74 -33.24 44.43 -30.34 -32.03 44.32 -30.54 -32.64 44.37 3 0 1000.00 -999 ? >GLN.C 37 -34.89 -37.50 44.62 -36.38 -39.03 44.84 -35.63 -38.26 44.73 2 0 1000.00 -999 ? >ARG^C 38 -39.03 -33.19 47.69 -38.77 -36.24 47.69 -38.90 -34.72 47.69 2 0 1000.00 -999 ? >VAL^C 39 -35.21 -27.96 45.74 -33.94 -27.21 44.09 -34.57 -27.59 44.92 3 0 1000.00 -999 ? >MET?C 40 -36.78 -25.40 48.06 -38.53 -25.59 51.89 -37.66 -25.49 49.97 2 0 1000.00 -999 ? >VAL^C 41 -36.83 -21.68 47.38 -37.04 -20.68 45.41 -36.93 -21.18 46.40 3 0 1000.00 -999 ? >ALA^C 42 -36.68 -19.63 50.64 -36.14 -20.41 51.87 -36.41 -20.02 51.25 2 0 1000.00 -999 ? >LEU.C 43 -37.28 -15.03 51.91 -37.28 -12.89 51.81 -37.28 -13.96 51.86 3 0 1000.00 -999 ? >ASP.C 44 -34.94 -16.11 56.19 -35.46 -14.08 55.93 -35.20 -15.09 56.06 2 0 1000.00 -999 ? >ILE.C 45 -32.23 -20.96 56.14 -31.76 -22.04 55.44 -31.99 -21.50 55.79 3 0 1000.00 -999 ? >ARG~C 46 -34.06 -16.98 60.26 -31.85 -16.85 62.43 -32.96 -16.92 61.34 2 0 1000.00 -999 ? >GLU~C 47 -34.85 -22.40 64.91 -34.34 -20.32 64.83 -34.60 -21.36 64.87 2 0 1000.00 -999 ? >GLU~C 48 -41.36 -21.87 61.62 -41.93 -19.92 62.47 -41.65 -20.89 62.05 2 0 1000.00 -999 ? >THR~C 49 -37.50 -23.35 57.32 -36.77 -21.71 56.10 -37.14 -22.53 56.71 2 0 1000.00 -999 ? >VAL~C 50 -35.12 -26.10 58.44 -33.15 -26.06 59.48 -34.13 -26.08 58.96 3 0 1000.00 -999 ? >ALA~C 51 -38.01 -28.21 59.91 -38.94 -27.77 61.10 -38.48 -27.99 60.51 2 0 1000.00 -999 ? >GLU~C 52 -41.33 -26.47 54.87 -41.72 -24.58 53.97 -41.52 -25.52 54.42 2 0 1000.00 -999 ? >ALA~C 53 -36.99 -28.77 54.53 -35.68 -28.03 54.46 -36.34 -28.40 54.49 2 0 1000.00 -999 ? >ILE~C 54 -36.24 -31.91 58.17 -35.50 -32.14 59.32 -35.87 -32.02 58.74 3 0 1000.00 -999 ? >GLU~C 55 -42.53 -32.95 57.74 -44.44 -32.01 57.57 -43.48 -32.48 57.66 2 0 1000.00 -999 ? >LYS~C 56 -40.51 -32.28 52.82 -44.09 -27.13 51.62 -42.30 -29.70 52.22 2 0 1000.00 -999 ? >GLY~C 57 -37.33 -34.20 51.87 -37.40 -33.38 51.75 -37.36 -33.79 51.81 1 0 1000.00 -999 ? >VAL.C 58 -35.39 -31.19 50.55 -36.01 -29.07 50.50 -35.70 -30.13 50.53 3 0 1000.00 -999 ? >ASP.C 59 -31.55 -32.61 47.93 -32.56 -34.47 47.99 -32.06 -33.54 47.96 2 0 1000.00 -999 ? >LEU^C 60 -30.70 -28.14 46.67 -29.40 -26.74 45.67 -30.05 -27.44 46.17 3 0 1000.00 -999 ? >ILE^C 61 -32.47 -24.37 50.85 -33.28 -24.13 52.15 -32.87 -24.25 51.50 3 0 1000.00 -999 ? >ILE^C 62 -32.19 -21.58 45.66 -31.96 -21.52 44.23 -32.07 -21.55 44.94 3 0 1000.00 -999 ? >VAL^C 63 -32.02 -18.69 49.52 -31.16 -18.70 51.56 -31.59 -18.69 50.54 3 0 1000.00 -999 ? >LYS.C 64 -31.77 -14.90 49.26 -32.32 -9.37 48.48 -32.04 -12.13 48.87 2 0 1000.00 -999 ? >HIS.C 65 -31.89 -12.32 53.44 -33.01 -10.66 52.79 -32.45 -11.49 53.11 3 0 1000.00 -999 ? >ALA.C 66 -27.03 -15.98 53.51 -25.63 -15.56 53.26 -26.33 -15.77 53.38 2 0 1000.00 -999 ? >PRO.C 67 -27.21 -20.13 54.98 -27.18 -18.05 55.86 -27.20 -19.09 55.42 3 0 1000.00 -999 ? >ILE.C 68 -22.33 -18.71 56.32 -21.31 -19.79 56.50 -21.82 -19.25 56.41 3 0 1000.00 -999 ? >PHE.C 69 -24.82 -13.31 58.67 -25.34 -13.76 61.42 -25.08 -13.53 60.05 3 0 1000.00 -999 ? >ARG.C 70 -20.99 -12.29 61.92 -22.08 -11.88 64.75 -21.54 -12.09 63.34 2 0 1000.00 -999 ? >PRO.C 71 -15.59 -14.44 58.84 -17.51 -15.48 59.44 -16.55 -14.96 59.14 3 0 1000.00 -999 ? >ILE.C 72 -18.82 -20.16 61.64 -19.79 -21.10 61.29 -19.31 -20.63 61.47 3 0 1000.00 -999 ? >LYS.C 73 -16.07 -18.67 65.34 -13.53 -13.83 66.14 -14.80 -16.25 65.74 2 0 1000.00 -999 ? >ASP.C 74 -17.12 -21.93 68.39 -18.79 -20.83 69.08 -17.96 -21.38 68.73 2 0 1000.00 -999 ? >LEU.C 75 -19.17 -25.93 65.25 -19.15 -25.74 63.08 -19.16 -25.84 64.17 3 0 1000.00 -999 ? >LEU.C 76 -20.99 -23.70 70.82 -19.33 -23.69 72.25 -20.16 -23.69 71.54 3 0 1000.00 -999 ? >ALA.C 77 -24.68 -26.46 69.73 -24.91 -27.91 70.26 -24.80 -27.18 70.00 2 0 1000.00 -999 ? >SER.C 78 -25.93 -23.90 72.32 -24.01 -23.12 73.57 -24.97 -23.51 72.94 2 0 1000.00 -999 ? >ARG~C 79 -22.29 -19.65 69.10 -20.63 -18.17 71.19 -21.46 -18.91 70.14 2 0 1000.00 -999 ? >PRO~C 80 -29.96 -19.67 69.62 -28.60 -20.85 68.26 -29.28 -20.26 68.94 3 0 1000.00 -999 ? >GLN~C 81 -26.14 -18.59 62.77 -27.78 -18.73 61.42 -26.96 -18.66 62.10 2 0 1000.00 -999 ? >ASN~C 82 -24.07 -23.42 65.88 -22.44 -22.06 65.57 -23.25 -22.74 65.73 2 0 1000.00 -999 ? >GLN~C 83 -30.03 -26.45 67.01 -28.82 -28.20 67.44 -29.43 -27.32 67.23 2 0 1000.00 -999 ? >ILE~C 84 -29.92 -22.93 61.58 -30.67 -21.91 61.13 -30.29 -22.42 61.35 3 0 1000.00 -999 ? >TYR~C 85 -24.64 -23.29 60.67 -24.27 -20.58 60.19 -24.46 -21.94 60.43 3 0 1000.00 -999 ? >ILE~C 86 -26.15 -28.69 64.09 -25.62 -29.11 65.41 -25.88 -28.90 64.75 3 0 1000.00 -999 ? >ASP~C 87 -30.91 -28.96 61.71 -31.36 -29.27 63.76 -31.14 -29.12 62.74 2 0 1000.00 -999 ? >LEU~C 88 -28.37 -27.50 57.14 -29.65 -25.78 56.71 -29.01 -26.64 56.93 3 0 1000.00 -999 ? >ILE~C 89 -24.35 -30.44 58.59 -23.03 -30.18 58.90 -23.69 -30.31 58.75 3 0 1000.00 -999 ? >LYS~C 90 -27.13 -33.81 59.50 -27.68 -34.47 65.74 -27.41 -34.14 62.62 2 0 1000.00 -999 ? >HIS~C 91 -31.97 -33.76 58.42 -32.70 -34.45 60.26 -32.33 -34.11 59.34 3 0 1000.00 -999 ? >ASP.C 92 -27.32 -34.67 53.25 -26.08 -36.03 54.39 -26.70 -35.35 53.82 2 0 1000.00 -999 ? >ILE.C 93 -30.49 -29.46 53.75 -31.76 -29.19 54.16 -31.12 -29.32 53.95 3 0 1000.00 -999 ? >ALA^C 94 -27.25 -27.92 50.74 -26.69 -28.34 49.35 -26.97 -28.13 50.05 2 0 1000.00 -999 ? >VAL^C 95 -27.72 -24.16 50.74 -28.30 -23.17 52.64 -28.01 -23.67 51.69 3 0 1000.00 -999 ? >TYR^C 96 -26.83 -21.67 45.17 -25.80 -20.25 42.99 -26.31 -20.96 44.08 3 0 1000.00 -999 ? >VAL^C 97 -27.12 -18.04 48.05 -26.39 -17.08 49.86 -26.75 -17.56 48.96 3 0 1000.00 -999 ? >SER.C 98 -28.47 -15.51 45.54 -29.45 -15.05 43.43 -28.96 -15.28 44.49 2 0 1000.00 -999 ? >HIS.C 99 -27.93 -10.97 49.64 -28.35 -9.39 50.96 -28.14 -10.18 50.30 3 0 1000.00 -999 ? >THR~C 100 -27.74 -8.99 45.55 -26.09 -7.91 46.48 -26.91 -8.45 46.02 2 0 1000.00 -999 ? >ASN~C 101 -26.45 -11.81 41.71 -26.89 -13.65 42.73 -26.67 -12.73 42.22 2 0 1000.00 -999 ? >ILE~C 102 -31.83 -12.34 42.70 -32.57 -12.51 42.47 -32.20 -12.43 42.59 3 0 1000.00 -999 ? >ASP~C 103 -30.96 -6.96 43.92 -31.72 -7.53 45.75 -31.34 -7.25 44.84 2 0 1000.00 -999 ? >ILE~C 104 -27.81 -6.49 40.10 -26.63 -6.02 40.46 -27.22 -6.25 40.28 3 0 1000.00 -999 ? >VAL~C 105 -30.15 -8.85 36.96 -30.79 -11.01 36.63 -30.47 -9.93 36.79 3 0 1000.00 -999 ? >GLU.C 106 -33.39 -7.01 32.05 -33.90 -7.60 30.06 -33.64 -7.30 31.05 2 0 1000.00 -999 ? >ASN.C 107 -36.55 -10.32 34.19 -38.62 -10.91 34.29 -37.58 -10.62 34.24 2 0 1000.00 -999 ? >GLY~C 108 -34.66 -9.67 38.82 -35.32 -9.18 38.59 -34.99 -9.43 38.71 1 0 1000.00 -999 ? >LEU~C 109 -35.54 -8.73 43.44 -36.62 -8.90 45.34 -36.08 -8.81 44.39 3 0 1000.00 -999 ? >ASN~C 110 -35.20 -3.82 41.65 -34.58 -3.92 43.73 -34.89 -3.87 42.69 2 0 1000.00 -999 ? >ASP~C 111 -37.03 -5.94 36.69 -35.26 -5.02 36.19 -36.15 -5.48 36.44 2 0 1000.00 -999 ? >TRP~C 112 -39.53 -10.01 38.21 -37.77 -12.38 40.84 -38.65 -11.19 39.52 3 0 1000.00 -999 ? >PHE~C 113 -40.10 -4.67 43.87 -39.31 -6.33 46.01 -39.71 -5.50 44.94 3 0 1000.00 -999 ? >CYH~C 114 -41.38 -2.08 38.71 -38.84 -0.95 38.74 -40.11 -1.51 38.73 2 0 1000.00 -999 ? >GLN~C 115 -42.19 -6.05 35.33 -41.25 -7.99 35.58 -41.72 -7.02 35.45 2 0 1000.00 -999 ? >MET?C 116 -45.95 -4.62 39.78 -44.72 -7.58 42.48 -45.33 -6.10 41.13 2 0 1000.00 -999 ? >LEU~C 117 -45.22 -0.16 41.26 -45.39 -0.11 43.42 -45.30 -0.13 42.34 3 0 1000.00 -999 ? >GLY~C 118 -46.14 0.36 36.60 -45.49 0.46 37.11 -45.82 0.41 36.85 1 0 1000.00 -999 ? >ILE.C 119 -41.67 1.90 37.95 -41.13 2.38 39.13 -41.40 2.14 38.54 3 0 1000.00 -999 ? >GLU^C 120 -44.04 2.33 32.44 -44.63 0.45 31.66 -44.34 1.39 32.05 2 0 1000.00 -999 ? >GLU^C 121 -37.53 5.00 29.50 -38.03 6.80 28.54 -37.78 5.90 29.02 2 0 1000.00 -999 ? >THR^C 122 -36.21 2.15 34.11 -37.41 0.58 34.99 -36.81 1.37 34.55 2 0 1000.00 -999 ? >THR^C 123 -32.50 2.31 34.84 -31.00 3.86 34.50 -31.75 3.09 34.67 2 0 1000.00 -999 ? >TYR^C 124 -28.22 0.84 37.00 -26.15 1.61 35.31 -27.19 1.23 36.15 3 0 1000.00 -999 ? >LEU^C 125 -30.24 3.37 42.44 -32.24 4.06 42.94 -31.24 3.72 42.69 3 0 1000.00 -999 ? >GLN^C 126 -24.12 2.79 43.46 -23.58 2.49 45.48 -23.85 2.64 44.47 2 0 1000.00 -999 ? >GLU^C 127 -21.77 1.12 37.58 -21.36 1.99 35.71 -21.56 1.55 36.65 2 0 1000.00 -999 ? >THR^C 128 -22.19 -2.33 40.29 -24.09 -3.15 41.03 -23.14 -2.74 40.66 2 0 1000.00 -999 ? >GLY^C 129 -21.05 -3.31 36.79 -21.59 -2.70 36.69 -21.32 -3.01 36.74 1 0 1000.00 -999 ? >PRO.C 130 -19.08 -4.11 32.97 -20.81 -2.85 33.72 -19.94 -3.48 33.35 3 0 1000.00 -999 ? >GLU.C 131 -24.11 -0.33 29.99 -23.24 -0.90 28.10 -23.67 -0.61 29.05 2 0 1000.00 -999 ? >ARG^C 132 -23.97 -6.31 36.15 -21.02 -7.26 36.31 -22.50 -6.79 36.23 2 0 1000.00 -999 ? >GLY^C 133 -26.54 -1.93 39.07 -27.22 -2.30 38.81 -26.88 -2.11 38.94 1 0 1000.00 -999 ? >ILE^C 134 -27.99 -2.38 43.55 -28.04 -2.79 44.41 -28.01 -2.59 43.98 3 0 1000.00 -999 ? >GLY^C 135 -32.11 -0.54 42.52 -31.78 -0.78 41.83 -31.95 -0.66 42.17 1 0 1000.00 -999 ? >ARG^C 136 -33.86 -1.31 37.80 -32.06 -3.77 37.58 -32.96 -2.54 37.69 2 0 1000.00 -999 ? >ILE^C 137 -34.75 5.57 39.09 -34.20 6.80 39.00 -34.48 6.18 39.04 3 0 1000.00 -999 ? >GLY^C 138 -38.26 5.14 36.12 -38.55 5.36 36.86 -38.40 5.25 36.49 1 0 1000.00 -999 ? >ASN^C 139 -41.53 7.84 34.13 -39.70 8.90 33.89 -40.61 8.37 34.01 2 0 1000.00 -999 ? >ILE^C 140 -45.56 6.11 37.75 -45.47 6.22 39.11 -45.52 6.16 38.43 3 0 1000.00 -999 ? >GLN^C 141 -50.28 6.46 33.72 -50.24 8.03 32.23 -50.26 7.24 32.97 2 0 1000.00 -999 ? >PRO^C 142 -47.81 12.08 35.72 -48.51 10.34 36.94 -48.16 11.21 36.33 3 0 1000.00 -999 ? >GLN^C 143 -49.85 7.86 41.46 -50.43 5.85 41.94 -50.14 6.86 41.70 2 0 1000.00 -999 ? >THR^C 144 -50.53 11.90 44.19 -52.54 12.26 44.90 -51.53 12.08 44.54 2 0 1000.00 -999 ? >PHE~C 145 -46.53 10.88 48.89 -44.83 9.59 50.73 -45.68 10.23 49.81 3 0 1000.00 -999 ? >TRP~C 146 -54.68 9.00 49.17 -54.60 8.05 53.01 -54.64 8.52 51.09 3 0 1000.00 -999 ? >GLU~C 147 -54.19 8.77 44.40 -54.63 9.78 42.59 -54.41 9.28 43.49 2 0 1000.00 -999 ? >LEU~C 148 -47.80 6.49 44.94 -45.89 5.69 44.32 -46.85 6.09 44.63 3 0 1000.00 -999 ? >ALA~C 149 -49.02 4.82 48.95 -49.03 5.80 50.11 -49.03 5.31 49.53 2 0 1000.00 -999 ? >GLN~C 150 -54.44 4.83 49.23 -54.34 4.35 51.32 -54.39 4.59 50.27 2 0 1000.00 -999 ? >GLN~C 151 -50.45 0.87 43.26 -49.38 1.76 41.62 -49.91 1.31 42.44 2 0 1000.00 -999 ? >VAL~C 152 -47.97 0.07 47.27 -45.86 0.91 47.50 -46.91 0.49 47.39 3 0 1000.00 -999 ? >LYS~C 153 -49.86 -1.12 50.44 -54.01 -0.42 55.31 -51.93 -0.77 52.87 2 0 1000.00 -999 ? >GLN~C 154 -54.70 -3.19 47.10 -55.21 -3.15 45.02 -54.96 -3.17 46.06 2 0 1000.00 -999 ? >VAL~C 155 -50.08 -4.37 45.49 -49.17 -3.69 43.57 -49.63 -4.03 44.53 3 0 1000.00 -999 ? >PHE~C 156 -45.75 -4.85 47.60 -44.13 -4.10 45.47 -44.94 -4.47 46.53 3 0 1000.00 -999 ? >ASP~C 157 -50.92 -8.45 50.39 -51.93 -8.69 48.53 -51.43 -8.57 49.46 2 0 1000.00 -999 ? >LEU.C 158 -48.46 -3.89 53.38 -46.48 -4.01 52.48 -47.47 -3.95 52.93 3 0 1000.00 -999 ? >ASP.C 159 -50.71 -5.73 58.31 -48.63 -6.08 58.76 -49.67 -5.91 58.54 2 0 1000.00 -999 ? >SER.C 160 -49.19 -1.40 57.18 -48.22 -1.54 59.43 -48.71 -1.47 58.31 2 0 1000.00 -999 ? >LEU.C 161 -47.39 1.22 53.77 -46.38 1.90 51.97 -46.88 1.56 52.87 3 0 1000.00 -999 ? >ARG^C 162 -42.81 3.60 59.53 -40.57 3.38 61.65 -41.69 3.49 60.59 2 0 1000.00 -999 ? >MET?C 163 -44.94 6.93 54.51 -49.00 7.74 53.43 -46.97 7.33 53.97 2 0 1000.00 -999 ? >VAL^C 164 -42.05 9.40 54.93 -39.96 8.59 54.52 -41.01 8.99 54.72 3 0 1000.00 -999 ? >HIS.C 165 -45.65 12.66 54.77 -47.45 12.27 55.77 -46.55 12.47 55.27 3 0 1000.00 -999 ? >TYR.C 166 -41.32 16.51 58.10 -38.72 15.86 58.82 -40.02 16.19 58.46 3 0 1000.00 -999 ? >GLN~C 167 -46.56 19.22 54.05 -45.70 21.01 53.22 -46.13 20.11 53.63 2 0 1000.00 -999 ? >GLU~C 168 -52.98 17.49 55.74 -54.42 18.88 56.55 -53.70 18.18 56.15 2 0 1000.00 -999 ? >ASP~C 169 -50.09 20.13 51.29 -51.13 21.42 52.65 -50.61 20.77 51.97 2 0 1000.00 -999 ? >ASP~C 170 -46.21 15.57 51.78 -44.62 16.93 52.32 -45.41 16.25 52.05 2 0 1000.00 -999 ? >LEU~C 171 -51.25 13.44 51.41 -50.69 12.52 53.30 -50.97 12.98 52.36 3 0 1000.00 -999 ? >GLN~C 172 -53.34 16.71 48.84 -54.58 14.95 48.75 -53.96 15.83 48.80 2 0 1000.00 -999 ? >LYS.C 173 -48.03 16.16 45.78 -42.84 17.84 48.32 -45.44 17.00 47.05 2 0 1000.00 -999 ? >PRO^C 174 -47.85 17.11 41.52 -48.12 15.27 42.80 -47.99 16.19 42.16 3 0 1000.00 -999 ? >ILE^C 175 -45.64 10.79 42.89 -44.64 11.13 43.60 -45.14 10.96 43.24 3 0 1000.00 -999 ? >SER^C 176 -44.35 11.06 38.41 -43.12 12.45 36.87 -43.73 11.75 37.64 2 0 1000.00 -999 ? >ARG^C 177 -37.50 10.51 37.32 -35.98 8.57 35.46 -36.74 9.54 36.39 2 0 1000.00 -999 ? >VAL^C 178 -40.27 6.72 41.31 -42.21 5.83 42.08 -41.24 6.27 41.70 3 0 1000.00 -999 ? >ALA^C 179 -37.18 4.93 42.66 -35.85 5.62 43.04 -36.51 5.27 42.85 2 0 1000.00 -999 ? >ILE^C 180 -38.45 0.66 43.83 -39.26 -0.38 43.67 -38.86 0.14 43.75 3 0 1000.00 -999 ? >CYH^C 181 -34.76 -0.87 45.93 -32.05 -1.20 46.36 -33.41 -1.04 46.15 2 0 1000.00 -999 ? >GLY.C 182 -35.87 -4.04 47.67 -35.17 -3.57 47.73 -35.52 -3.80 47.70 1 0 1000.00 -999 ? >GLY.C 183 -34.37 -4.69 51.06 -34.55 -3.92 50.76 -34.46 -4.30 50.91 1 0 1000.00 -999 ? >SER.C 184 -31.89 -2.33 52.67 -31.71 -3.89 54.59 -31.80 -3.11 53.63 2 0 1000.00 -999 ? >GLY~C 185 -31.15 0.42 50.15 -31.56 0.67 50.74 -31.35 0.54 50.45 1 0 1000.00 -999 ? >GLN~C 186 -30.56 3.59 54.62 -31.21 3.31 56.67 -30.89 3.45 55.65 2 0 1000.00 -999 ? >SER~C 187 -27.73 4.31 51.21 -26.58 2.27 50.79 -27.15 3.29 51.00 2 0 1000.00 -999 ? >PHE~C 188 -28.34 2.16 47.01 -26.80 -0.11 47.55 -27.57 1.02 47.28 3 0 1000.00 -999 ? >TYR~C 189 -31.21 8.95 50.32 -30.17 11.03 51.82 -30.69 9.99 51.07 3 0 1000.00 -999 ? >LYS~C 190 -28.66 10.23 46.95 -27.82 14.77 50.56 -28.24 12.50 48.76 2 0 1000.00 -999 ? >ASP~C 191 -28.08 6.94 43.41 -26.06 6.67 44.13 -27.07 6.80 43.77 2 0 1000.00 -999 ? >ALA~C 192 -32.39 8.33 43.60 -33.31 7.82 44.70 -32.85 8.08 44.15 2 0 1000.00 -999 ? >LEU~C 193 -31.92 12.75 45.46 -32.25 14.73 46.42 -32.09 13.74 45.94 3 0 1000.00 -999 ? >ALA~C 194 -29.63 12.75 41.60 -28.18 12.25 41.64 -28.90 12.50 41.62 2 0 1000.00 -999 ? >LYS~C 195 -31.64 10.84 38.92 -28.07 6.45 37.44 -29.86 8.65 38.18 2 0 1000.00 -999 ? >GLY.C 196 -34.88 12.73 39.41 -34.82 12.12 39.89 -34.85 12.43 39.65 1 0 1000.00 -999 ? >ALA.C 197 -36.86 10.63 41.94 -36.30 9.51 42.85 -36.58 10.07 42.40 2 0 1000.00 -999 ? >ASP.C 198 -41.24 12.51 42.95 -41.21 13.39 40.99 -41.22 12.95 41.97 2 0 1000.00 -999 ? >VAL^C 199 -40.34 9.19 45.79 -42.44 8.83 46.62 -41.39 9.01 46.21 3 0 1000.00 -999 ? >TYR^C 200 -35.52 5.81 47.42 -33.58 3.78 47.44 -34.55 4.79 47.43 3 0 1000.00 -999 ? >ILE^C 201 -40.44 2.38 47.21 -41.75 1.97 46.77 -41.09 2.18 46.99 3 0 1000.00 -999 ? >THR^C 202 -37.05 1.05 50.14 -34.90 1.46 50.36 -35.98 1.25 50.25 2 0 1000.00 -999 ? >GLY.C 203 -36.86 -1.10 53.28 -36.25 -0.54 53.14 -36.56 -0.82 53.21 1 0 1000.00 -999 ? >ASP.C 204 -34.23 -1.43 56.34 -32.82 -1.62 57.88 -33.53 -1.52 57.11 2 0 1000.00 -999 ? >ILE.C 205 -36.02 4.37 55.73 -36.28 5.21 54.58 -36.15 4.79 55.16 3 0 1000.00 -999 ? >TYR~C 206 -31.15 3.68 59.84 -29.59 1.34 59.65 -30.37 2.51 59.75 3 0 1000.00 -999 ? >TYR~C 207 -35.88 8.75 63.65 -37.33 10.91 64.61 -36.61 9.83 64.13 3 0 1000.00 -999 ? >HIS~C 208 -30.09 11.18 61.32 -29.01 12.97 61.10 -29.55 12.08 61.21 3 0 1000.00 -999 ? >THR~C 209 -31.86 9.00 57.16 -30.77 7.41 56.22 -31.32 8.20 56.69 2 0 1000.00 -999 ? >ALA~C 210 -35.60 9.56 56.59 -36.66 8.94 57.46 -36.13 9.25 57.03 2 0 1000.00 -999 ? >GLN~C 211 -35.76 12.93 60.45 -35.10 13.43 62.45 -35.43 13.18 61.45 2 0 1000.00 -999 ? >ASP~C 212 -30.94 12.88 55.60 -29.67 13.20 57.28 -30.30 13.04 56.44 2 0 1000.00 -999 ? >MET?C 213 -34.22 12.44 52.61 -35.27 8.39 52.11 -34.74 10.42 52.36 2 0 1000.00 -999 ? >LEU~C 214 -37.83 14.81 54.76 -39.59 13.53 55.00 -38.71 14.17 54.88 3 0 1000.00 -999 ? >SER~C 215 -34.40 17.71 53.97 -33.51 17.83 56.24 -33.96 17.77 55.11 2 0 1000.00 -999 ? >ASP~C 216 -32.60 15.69 49.91 -30.49 15.58 50.54 -31.54 15.64 50.23 2 0 1000.00 -999 ? >GLY.C 217 -37.01 17.14 49.20 -36.65 16.45 49.31 -36.83 16.80 49.26 1 0 1000.00 -999 ? >LEU.C 218 -36.01 12.52 48.51 -35.66 10.81 47.30 -35.83 11.66 47.90 3 0 1000.00 -999 ? >LEU^C 219 -41.90 11.90 49.35 -43.17 13.61 49.68 -42.53 12.76 49.52 3 0 1000.00 -999 ? >ALA^C 220 -40.22 7.96 50.68 -38.96 7.78 51.54 -39.59 7.87 51.11 2 0 1000.00 -999 ? >LEU^C 221 -43.20 4.30 50.28 -45.16 5.17 49.67 -44.18 4.74 49.97 3 0 1000.00 -999 ? >ASP^C 222 -40.29 2.37 54.95 -39.11 0.79 55.77 -39.70 1.58 55.36 2 0 1000.00 -999 ? >PRO.C 223 -41.51 -1.40 50.93 -42.49 -0.68 52.86 -42.00 -1.04 51.90 3 0 1000.00 -999 ? >GLY.C 224 -40.58 -3.25 55.12 -40.54 -3.18 54.31 -40.56 -3.22 54.72 1 0 1000.00 -999 ? >HIS~C 225 -35.92 -6.29 54.93 -33.92 -5.78 54.55 -34.92 -6.03 54.74 3 0 1000.00 -999 ? >TYR~C 226 -42.07 -10.65 54.68 -41.78 -13.42 54.88 -41.92 -12.04 54.78 3 0 1000.00 -999 ? >ILE~C 227 -42.14 -6.04 49.50 -41.99 -4.67 49.44 -42.06 -5.35 49.47 3 0 1000.00 -999 ? >GLU~C 228 -37.10 -8.71 50.52 -35.07 -8.14 50.62 -36.09 -8.43 50.57 2 0 1000.00 -999 ? >VAL~C 229 -40.81 -12.82 49.53 -42.32 -13.16 51.10 -41.57 -12.99 50.32 3 0 1000.00 -999 ? >ILE~C 230 -41.69 -10.82 45.15 -43.13 -10.71 44.85 -42.41 -10.77 45.00 3 0 1000.00 -999 ? >PHE~C 231 -35.98 -14.70 46.08 -33.76 -16.48 45.91 -34.87 -15.59 45.99 3 0 1000.00 -999 ? >VAL~C 232 -39.75 -17.37 46.56 -40.22 -18.09 48.53 -39.98 -17.73 47.54 3 0 1000.00 -999 ? >GLU~C 233 -44.01 -15.23 44.38 -45.83 -14.22 44.89 -44.92 -14.73 44.63 2 0 1000.00 -999 ? >LYS~C 234 -40.88 -16.03 41.21 -42.93 -12.44 37.65 -41.91 -14.23 39.43 2 0 1000.00 -999 ? >ILE~C 235 -36.50 -18.04 42.32 -35.88 -17.47 42.11 -36.19 -17.76 42.22 3 0 1000.00 -999 ? >ALA~C 236 -39.86 -21.31 41.95 -40.81 -21.57 43.14 -40.33 -21.44 42.55 2 0 1000.00 -999 ? >ALA~C 237 -41.93 -20.52 38.80 -42.87 -19.27 38.66 -42.40 -19.90 38.73 2 0 1000.00 -999 ? >LEU~C 238 -37.54 -19.07 37.29 -36.63 -17.68 35.93 -37.08 -18.38 36.61 3 0 1000.00 -999 ? >LEU~C 239 -36.99 -23.83 39.50 -35.26 -23.53 40.75 -36.12 -23.68 40.13 3 0 1000.00 -999 ? >SER~C 240 -40.65 -24.98 37.24 -42.14 -24.93 39.13 -41.40 -24.95 38.19 2 0 1000.00 -999 ? >GLN~C 241 -40.62 -21.79 31.84 -42.50 -22.57 31.10 -41.56 -22.18 31.47 2 0 1000.00 -999 ? >TRP~C 242 -35.51 -22.47 32.77 -33.61 -20.80 35.83 -34.56 -21.63 34.30 3 0 1000.00 -999 ? >LYS~C 243 -38.19 -28.37 34.71 -42.16 -31.81 38.49 -40.17 -30.09 36.60 2 0 1000.00 -999 ? >GLU~C 244 -42.90 -27.64 30.71 -44.94 -27.38 31.14 -43.92 -27.51 30.92 2 0 1000.00 -999 ? >ASP~C 245 -37.97 -25.91 29.10 -39.37 -24.32 29.15 -38.67 -25.12 29.13 2 0 1000.00 -999 ? >LYS~C 246 -35.71 -29.55 30.04 -32.71 -24.39 31.44 -34.21 -26.97 30.74 2 0 1000.00 -999 ? >GLY~C 247 -37.60 -32.65 31.22 -37.11 -32.22 31.68 -37.36 -32.43 31.45 1 0 1000.00 -999 ? >TRP.C 248 -33.85 -30.71 33.97 -33.24 -27.28 35.88 -33.54 -29.00 34.93 3 0 1000.00 -999 ? >SER.C 249 -37.39 -34.85 37.41 -36.17 -36.93 37.60 -36.78 -35.89 37.51 2 0 1000.00 -999 ? >ILE.C 250 -36.00 -31.65 40.65 -34.81 -30.90 40.14 -35.40 -31.28 40.40 3 0 1000.00 -999 ? >ASP^C 251 -40.59 -32.02 43.79 -41.61 -33.79 43.20 -41.10 -32.90 43.50 2 0 1000.00 -999 ? >ILE^C 252 -39.61 -26.65 41.98 -39.27 -26.24 41.00 -39.44 -26.44 41.49 3 0 1000.00 -999 ? >LEU^C 253 -40.86 -27.04 47.67 -41.51 -29.12 47.90 -41.19 -28.08 47.78 3 0 1000.00 -999 ? >PRO^C 254 -43.75 -22.61 46.36 -41.70 -23.19 47.11 -42.72 -22.90 46.73 3 0 1000.00 -999 ? >SER.C 255 -41.00 -22.45 51.22 -39.94 -22.06 53.38 -40.47 -22.25 52.30 2 0 1000.00 -999 ? >GLN.C 256 -45.51 -23.90 51.90 -46.08 -22.81 50.16 -45.80 -23.35 51.03 2 0 1000.00 -999 ? >ALA.C 257 -42.66 -21.34 56.53 -41.59 -22.19 57.13 -42.13 -21.77 56.83 2 0 1000.00 -999 ? >SER.C 258 -43.11 -17.61 57.25 -44.31 -15.53 57.79 -43.71 -16.57 57.52 2 0 1000.00 -999 ? >THR.C 259 -39.91 -16.14 58.66 -38.33 -17.08 57.52 -39.12 -16.61 58.09 2 0 1000.00 -999 ? >ASN.C 260 -42.71 -12.15 58.32 -42.99 -10.03 58.23 -42.85 -11.09 58.28 2 0 1000.00 -999 ? >PRO.C 261 -38.74 -10.55 61.69 -40.70 -11.63 61.90 -39.72 -11.09 61.80 3 0 1000.00 -999 ? >PHE.C 262 -40.81 -6.91 62.04 -38.25 -6.29 62.88 -39.53 -6.60 62.46 3 0 1000.00 -999 ? >HIS.C 263 -46.65 -10.70 62.72 -45.73 -12.36 61.83 -46.19 -11.53 62.28 3 0 1000.00 -999 ? >HIS.C 264 -47.29 -3.62 61.61 -45.35 -3.26 60.91 -46.32 -3.44 61.26 3 0 1000.00 -999 ? >ILE.C 265 -51.86 -2.80 65.51 -52.28 -2.02 64.92 -52.07 -2.41 65.22 3 0 1000.00 -999 ?