REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-DEC-08 3FNJ COMPND PROTEIN LP_1913; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM; SOURCE 3 ORGANISM_TAXID: 1590; SOURCE 4 STRAIN: WCFS1; SOURCE 5 GENE: LP_1913; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR J.SEETHARAMAN,Y.CHEN,F.FOROUHAR,S.SAHDEV,H.JANJUA,R.XIAO, AUTHOR 2 C.CICCOSANTI,E.L.FOOTE,T.B.ACTON,B.ROST,G.T.MONTELIONE, AUTHOR 3 J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM AUTHOR 4 (NESG) HET MSE A 1 8 HET MSE A 26 8 HET MSE A 56 8 HET MSE A 113 8 HET MSE B 1 8 HET MSE B 26 8 HET MSE B 56 8 HET MSE B 113 8 HET MSE C 1 8 HET MSE C 26 8 HET MSE C 56 8 HET MSE C 113 8 HET MSE D 26 8 HET MSE D 56 8 HET MSE D 113 8 HET MSE E 1 8 HET MSE E 26 8 HET MSE E 56 8 HET MSE E 113 8 HET MSE F 1 8 HET MSE F 26 8 HET MSE F 56 8 HET MSE F 113 8 >MET?A 1 -17.78 51.69 36.11 -17.03 54.74 39.06 -17.40 53.21 37.58 2 0 1000.00 -999 ? >ASN.A 2 -18.32 56.26 34.56 -20.35 56.45 35.17 -19.33 56.36 34.86 2 0 1000.00 -999 ? >ASP.A 3 -13.19 54.20 34.41 -12.77 55.83 35.69 -12.98 55.01 35.05 2 0 1000.00 -999 ? >LYS.A 4 -15.10 51.40 31.38 -13.10 46.90 33.79 -14.10 49.15 32.58 2 0 1000.00 -999 ? >LYS.A 5 -18.05 53.00 29.60 -23.34 53.02 33.07 -20.69 53.01 31.33 2 0 1000.00 -999 ? >ILE.A 6 -15.28 56.99 29.80 -15.12 58.32 30.39 -15.20 57.65 30.10 3 0 1000.00 -999 ? >GLU.A 7 -10.97 52.32 27.70 -9.45 53.78 27.77 -10.21 53.05 27.74 2 0 1000.00 -999 ? >LEU.A 8 -16.50 50.94 25.63 -17.48 49.42 24.40 -16.99 50.18 25.02 3 0 1000.00 -999 ? >LEU.A 9 -18.01 55.85 24.69 -20.10 55.92 25.03 -19.05 55.88 24.86 3 0 1000.00 -999 ? >THR.A 10 -13.95 56.63 23.09 -12.50 57.73 24.20 -13.22 57.18 23.65 2 0 1000.00 -999 ? >THR.A 11 -12.47 53.72 21.16 -11.18 52.04 21.63 -11.82 52.88 21.39 2 0 1000.00 -999 ? >TYR.A 12 -18.15 51.85 19.44 -20.16 50.64 17.91 -19.16 51.24 18.68 3 0 1000.00 -999 ? >LEU.A 13 -16.77 57.54 19.27 -18.77 57.93 19.96 -17.77 57.74 19.61 3 0 1000.00 -999 ? >SER.A 14 -12.94 56.55 16.96 -11.28 54.92 17.73 -12.11 55.74 17.34 2 0 1000.00 -999 ? >LEU.A 15 -14.69 52.56 14.76 -13.76 50.68 15.27 -14.23 51.62 15.02 3 0 1000.00 -999 ? >TYR^A 16 -18.63 55.13 13.55 -19.98 52.69 13.73 -19.30 53.91 13.64 3 0 1000.00 -999 ? >ILE^A 17 -15.39 59.55 9.60 -14.99 60.05 8.29 -15.19 59.80 8.95 3 0 1000.00 -999 ? >ASP~A 18 -18.98 63.60 11.33 -20.87 64.53 11.68 -19.92 64.07 11.51 2 0 1000.00 -999 ? >HIS~A 19 -23.42 62.90 7.78 -24.79 64.23 8.65 -24.10 63.56 8.22 3 0 1000.00 -999 ? >HIS~A 20 -20.56 68.52 8.92 -20.22 70.58 8.69 -20.39 69.55 8.81 3 0 1000.00 -999 ? >THR~A 21 -16.84 65.82 7.21 -15.34 65.52 8.71 -16.09 65.67 7.96 2 0 1000.00 -999 ? >VAL~A 22 -17.10 63.52 4.19 -17.36 61.36 3.96 -17.23 62.44 4.08 3 0 1000.00 -999 ? >LEU~A 23 -20.92 66.25 2.89 -22.44 67.17 1.64 -21.68 66.71 2.26 3 0 1000.00 -999 ? >ALA~A 24 -17.36 68.82 2.99 -16.95 69.35 4.36 -17.15 69.09 3.68 2 0 1000.00 -999 ? >ASP~A 25 -14.22 65.42 1.57 -12.39 64.93 0.64 -13.30 65.17 1.11 2 0 1000.00 -999 ? >MET?A 26 -16.51 66.32 -2.10 -19.76 63.53 -1.78 -18.14 64.93 -1.94 2 0 1000.00 -999 ? >GLN~A 27 -18.35 70.63 0.25 -19.56 71.70 1.65 -18.95 71.17 0.95 2 0 1000.00 -999 ? >ASN~A 28 -14.07 71.73 -0.40 -15.06 73.34 0.61 -14.57 72.53 0.11 2 0 1000.00 -999 ? >ALA.A 29 -13.11 68.62 -3.86 -13.22 69.04 -5.32 -13.16 68.83 -4.59 2 0 1000.00 -999 ? >THR.A 30 -10.03 68.18 -1.67 -10.72 68.57 0.34 -10.38 68.37 -0.66 2 0 1000.00 -999 ? >GLY.A 31 -9.60 64.50 -2.50 -9.54 64.89 -1.79 -9.57 64.69 -2.15 1 0 1000.00 -999 ? >LYS.A 32 -9.03 63.72 1.16 -6.40 62.79 5.86 -7.72 63.25 3.51 2 0 1000.00 -999 ? >TYR^A 33 -12.32 61.64 3.69 -11.63 62.85 6.11 -11.97 62.25 4.90 3 0 1000.00 -999 ? >VAL^A 34 -12.48 57.82 -0.80 -10.95 56.96 -2.04 -11.71 57.39 -1.42 3 0 1000.00 -999 ? >VAL^A 35 -15.98 56.47 -0.22 -17.84 57.46 0.28 -16.91 56.97 0.03 3 0 1000.00 -999 ? >LEU^A 36 -15.31 51.81 0.17 -13.18 51.83 -0.19 -14.25 51.82 -0.01 3 0 1000.00 -999 ? >ASP^A 37 -20.81 51.34 -1.85 -22.78 50.65 -1.53 -21.80 50.99 -1.69 2 0 1000.00 -999 ? >VAL.A 38 -19.09 47.80 1.11 -17.85 48.32 2.85 -18.47 48.06 1.98 3 0 1000.00 -999 ? >ARG.A 39 -25.56 48.89 0.44 -26.63 50.74 -1.72 -26.09 49.81 -0.64 2 0 1000.00 -999 ? >ASN.A 40 -22.55 41.56 0.99 -20.51 41.34 1.59 -21.53 41.45 1.29 2 0 1000.00 -999 ? >ALA.A 41 -26.18 42.60 -1.59 -27.35 43.42 -1.05 -26.77 43.01 -1.32 2 0 1000.00 -999 ? >PRO~A 42 -28.26 41.14 -5.08 -26.44 42.37 -4.71 -27.35 41.76 -4.90 3 0 1000.00 -999 ? >ALA~A 43 -26.41 45.62 -7.65 -25.70 45.73 -8.99 -26.06 45.67 -8.32 2 0 1000.00 -999 ? >GLN~A 44 -32.04 43.93 -9.52 -31.68 44.74 -11.47 -31.86 44.34 -10.50 2 0 1000.00 -999 ? >VAL~A 45 -31.33 45.49 -4.78 -30.78 43.66 -3.70 -31.05 44.57 -4.24 3 0 1000.00 -999 ? >LYS~A 46 -28.90 48.40 -4.16 -23.01 47.85 -4.39 -25.95 48.12 -4.27 2 0 1000.00 -999 ? >LYS~A 47 -30.11 50.35 -7.21 -33.45 53.90 -4.54 -31.78 52.13 -5.87 2 0 1000.00 -999 ? >ASP^A 48 -29.18 54.67 -5.76 -29.64 54.72 -3.71 -29.41 54.70 -4.74 2 0 1000.00 -999 ? >GLN^A 49 -23.59 54.53 -6.05 -21.62 54.01 -6.64 -22.60 54.27 -6.34 2 0 1000.00 -999 ? >ILE^A 50 -22.49 57.74 -1.45 -22.23 58.28 -0.08 -22.36 58.01 -0.76 3 0 1000.00 -999 ? >LYS.A 51 -22.20 60.16 -5.48 -19.40 64.53 -8.02 -20.80 62.35 -6.75 2 0 1000.00 -999 ? >GLY.A 52 -18.61 59.08 -6.07 -19.07 58.54 -5.74 -18.84 58.81 -5.90 1 0 1000.00 -999 ? >ALA.A 53 -18.56 55.88 -4.04 -19.74 55.32 -3.24 -19.15 55.60 -3.64 2 0 1000.00 -999 ? >ILE^A 54 -15.00 52.82 -5.08 -13.63 52.78 -5.62 -14.31 52.80 -5.35 3 0 1000.00 -999 ? >ALA^A 55 -18.76 49.80 -5.05 -19.81 49.33 -6.05 -19.29 49.57 -5.55 2 0 1000.00 -999 ? >MET?A 56 -16.82 47.07 -3.26 -12.59 47.20 -3.00 -14.70 47.13 -3.13 2 0 1000.00 -999 ? >PRO.A 57 -19.44 43.71 -3.07 -18.28 44.87 -1.57 -18.86 44.29 -2.32 3 0 1000.00 -999 ? >ALA.A 58 -17.05 43.70 2.38 -17.78 43.83 3.70 -17.42 43.76 3.04 2 0 1000.00 -999 ? >LYS.A 59 -16.74 40.04 1.37 -20.85 40.63 -2.14 -18.80 40.33 -0.39 2 0 1000.00 -999 ? >ASP.A 60 -14.85 41.05 -2.88 -16.41 39.73 -3.38 -15.63 40.39 -3.13 2 0 1000.00 -999 ? >LEU.A 61 -13.16 44.86 1.01 -12.44 46.87 1.40 -12.80 45.86 1.20 3 0 1000.00 -999 ? >ALA.A 62 -10.02 41.52 1.37 -10.32 40.22 2.10 -10.17 40.87 1.73 2 0 1000.00 -999 ? >THR~A 63 -8.70 40.61 -2.09 -9.72 38.77 -2.66 -9.21 39.69 -2.37 2 0 1000.00 -999 ? >ARG~A 64 -13.07 43.61 -5.88 -14.30 46.31 -6.64 -13.69 44.96 -6.26 2 0 1000.00 -999 ? >ILE~A 65 -7.26 45.35 -0.27 -6.43 45.40 0.91 -6.84 45.37 0.32 3 0 1000.00 -999 ? >GLY~A 66 -4.75 45.70 -4.27 -5.45 46.16 -4.34 -5.10 45.93 -4.31 1 0 1000.00 -999 ? >GLU~A 67 -8.74 47.40 -6.39 -10.41 47.08 -7.64 -9.58 47.24 -7.01 2 0 1000.00 -999 ? >LEU~A 68 -7.14 50.59 -1.93 -9.26 50.32 -1.53 -8.20 50.45 -1.73 3 0 1000.00 -999 ? >ASP.A 69 -4.54 55.37 -2.85 -2.86 56.60 -3.25 -3.70 55.98 -3.05 2 0 1000.00 -999 ? >PRO.A 70 -0.88 52.05 -0.56 -2.41 53.49 0.14 -1.65 52.77 -0.21 3 0 1000.00 -999 ? >ALA.A 71 -1.99 57.20 1.38 -1.14 58.10 0.50 -1.56 57.65 0.94 2 0 1000.00 -999 ? >LYS.A 72 -5.66 58.00 0.92 -7.24 58.88 -5.15 -6.45 58.44 -2.12 2 0 1000.00 -999 ? >THR^A 73 -8.16 57.76 3.79 -8.34 58.95 5.54 -8.25 58.35 4.66 2 0 1000.00 -999 ? >TYR^A 74 -9.97 53.95 1.56 -8.46 53.94 -0.80 -9.21 53.95 0.38 3 0 1000.00 -999 ? >VAL^A 75 -14.71 55.67 4.45 -15.38 57.66 4.97 -15.05 56.67 4.71 3 0 1000.00 -999 ? >VAL^A 76 -16.87 52.56 4.33 -15.69 51.10 5.41 -16.28 51.83 4.87 3 0 1000.00 -999 ? >TYR^A 77 -21.61 53.75 2.47 -22.35 53.85 -0.22 -21.98 53.80 1.12 3 0 1000.00 -999 ? >ASP.A 78 -23.55 49.01 5.33 -24.81 47.39 4.91 -24.18 48.20 5.12 2 0 1000.00 -999 ? >TRP.A 79 -27.35 47.28 2.77 -30.01 47.79 -0.09 -28.68 47.54 1.34 3 0 1000.00 -999 ? >THR.A 80 -27.56 50.94 7.94 -29.46 49.91 8.27 -28.51 50.43 8.10 2 0 1000.00 -999 ? >GLY.A 81 -24.90 51.03 10.66 -25.61 50.61 10.70 -25.26 50.82 10.68 1 0 1000.00 -999 ? >GLY.A 82 -26.50 47.92 12.06 -26.05 47.81 11.42 -26.28 47.86 11.74 1 0 1000.00 -999 ? >THR.A 83 -24.23 45.25 10.58 -25.04 45.46 8.62 -24.64 45.36 9.60 2 0 1000.00 -999 ? >THR~A 84 -20.69 43.98 10.89 -20.73 42.01 11.81 -20.71 43.00 11.35 2 0 1000.00 -999 ? >LEU~A 85 -20.87 45.17 6.13 -22.00 43.69 5.04 -21.43 44.43 5.58 3 0 1000.00 -999 ? >GLY~A 86 -18.33 48.20 8.04 -18.21 47.47 8.41 -18.27 47.84 8.23 1 0 1000.00 -999 ? >LYS~A 87 -16.42 46.86 11.05 -18.31 49.05 14.98 -17.36 47.95 13.02 2 0 1000.00 -999 ? >THR~A 88 -15.16 43.80 9.13 -15.95 41.85 8.56 -15.56 42.82 8.84 2 0 1000.00 -999 ? >ALA~A 89 -13.99 46.00 6.27 -14.90 46.89 5.41 -14.44 46.45 5.84 2 0 1000.00 -999 ? >LEU~A 90 -13.04 48.99 9.93 -13.51 51.10 9.94 -13.28 50.05 9.94 3 0 1000.00 -999 ? >LEU~A 91 -11.05 43.94 10.76 -9.99 42.46 11.99 -10.52 43.20 11.37 3 0 1000.00 -999 ? >VAL~A 92 -9.20 44.48 6.78 -9.98 43.44 5.01 -9.59 43.96 5.89 3 0 1000.00 -999 ? >LEU~A 93 -9.11 49.22 5.75 -10.23 49.54 3.94 -9.67 49.38 4.85 3 0 1000.00 -999 ? >LEU~A 94 -7.51 49.38 10.64 -8.58 51.21 11.07 -8.04 50.30 10.85 3 0 1000.00 -999 ? >SER~A 95 -4.67 45.94 9.30 -6.04 44.24 10.39 -5.36 45.09 9.85 2 0 1000.00 -999 ? >ALA~A 96 -3.09 46.38 5.88 -3.87 46.28 4.58 -3.48 46.33 5.23 2 0 1000.00 -999 ? >GLY.A 97 -1.82 49.70 7.21 -2.58 49.66 6.92 -2.20 49.68 7.06 1 0 1000.00 -999 ? >PHE.A 98 -5.24 50.63 3.36 -4.36 49.74 0.87 -4.80 50.19 2.12 3 0 1000.00 -999 ? >GLU^A 99 -6.38 56.68 8.57 -5.43 58.56 8.67 -5.91 57.62 8.62 2 0 1000.00 -999 ? >ALA^A 100 -10.17 54.16 7.45 -10.57 52.91 6.70 -10.37 53.54 7.07 2 0 1000.00 -999 ? >TYR^A 101 -12.22 57.13 9.97 -9.86 58.32 10.88 -11.04 57.72 10.42 3 0 1000.00 -999 ? >GLU^A 102 -18.97 52.30 9.37 -19.95 50.92 10.65 -19.46 51.61 10.01 2 0 1000.00 -999 ? >LEU^A 103 -20.13 56.51 6.18 -21.04 58.31 5.36 -20.58 57.41 5.77 3 0 1000.00 -999 ? >ALA.A 104 -21.59 57.44 10.63 -21.24 58.57 11.59 -21.42 58.01 11.11 2 0 1000.00 -999 ? >GLY~A 105 -25.21 56.98 9.61 -24.67 56.48 9.27 -24.94 56.73 9.44 1 0 1000.00 -999 ? >ALA~A 106 -24.46 54.72 6.65 -25.14 53.40 6.99 -24.80 54.06 6.82 2 0 1000.00 -999 ? >LEU~A 107 -26.59 54.19 2.34 -27.19 54.64 0.32 -26.89 54.41 1.33 3 0 1000.00 -999 ? >GLU~A 108 -31.55 54.80 6.88 -32.21 53.26 8.14 -31.88 54.03 7.51 2 0 1000.00 -999 ? >GLY~A 109 -28.57 58.62 7.34 -28.43 58.49 6.54 -28.50 58.56 6.94 1 0 1000.00 -999 ? >TRP~A 110 -25.85 60.24 1.01 -22.38 61.95 1.73 -24.12 61.09 1.37 3 0 1000.00 -999 ? >LYS~A 111 -30.24 59.91 2.29 -31.60 55.24 -1.61 -30.92 57.57 0.34 2 0 1000.00 -999 ? >GLY~A 112 -32.28 61.22 5.19 -31.66 61.58 4.79 -31.97 61.40 4.99 1 0 1000.00 -999 ? >MET?A 113 -30.23 64.41 4.98 -29.68 64.96 8.16 -29.96 64.69 6.57 2 0 1000.00 -999 ? >GLN~A 114 -33.52 65.45 1.49 -34.33 63.98 0.17 -33.92 64.72 0.83 2 0 1000.00 -999 ? >LEU~A 115 -26.39 63.74 1.38 -25.92 64.77 3.24 -26.15 64.25 2.31 3 0 1000.00 -999 ? >PRO~A 116 -24.21 64.74 -2.35 -26.27 63.90 -2.47 -25.24 64.32 -2.41 3 0 1000.00 -999 ? >VAL^A 117 -26.75 60.07 -4.26 -28.37 59.56 -2.91 -27.56 59.82 -3.58 3 0 1000.00 -999 ? >GLU^A 118 -24.00 58.21 -9.49 -22.17 57.17 -9.62 -23.09 57.69 -9.56 2 0 1000.00 -999 ? >THR^A 119 -27.83 56.02 -9.26 -29.35 56.01 -10.80 -28.59 56.01 -10.03 2 0 1000.00 -999 ? >LEU~A 120 -24.43 53.51 -10.52 -22.95 52.55 -11.78 -23.69 53.03 -11.15 3 0 1000.00 -999 ? >MET?B 1 -11.31 35.63 24.16 -11.76 37.74 21.66 -11.53 36.68 22.91 2 0 1000.00 -999 ? >ASN~B 2 -13.83 33.11 27.42 -15.61 32.78 28.53 -14.72 32.94 27.98 2 0 1000.00 -999 ? >ASP~B 3 -12.34 37.01 30.38 -12.47 35.43 31.77 -12.41 36.22 31.07 2 0 1000.00 -999 ? >LYS~B 4 -12.70 39.66 26.80 -8.00 41.91 25.83 -10.35 40.78 26.31 2 0 1000.00 -999 ? >LYS~B 5 -16.06 39.10 25.12 -15.87 34.30 21.75 -15.96 36.70 23.43 2 0 1000.00 -999 ? >ILE~B 6 -17.70 37.89 29.57 -18.28 36.86 30.45 -17.99 37.37 30.01 3 0 1000.00 -999 ? >GLU~B 7 -14.22 43.76 29.91 -14.04 43.85 32.00 -14.13 43.80 30.96 2 0 1000.00 -999 ? >LEU~B 8 -16.68 43.44 24.74 -16.87 44.76 23.03 -16.77 44.10 23.88 3 0 1000.00 -999 ? >LEU~B 9 -21.26 41.20 26.11 -21.84 40.18 24.29 -21.55 40.69 25.20 3 0 1000.00 -999 ? >THR~B 10 -21.21 43.71 29.83 -20.75 42.78 31.74 -20.98 43.24 30.79 2 0 1000.00 -999 ? >THR~B 11 -19.76 47.20 29.41 -17.76 48.02 29.67 -18.76 47.61 29.54 2 0 1000.00 -999 ? >TYR~B 12 -21.92 47.26 23.55 -23.09 48.24 21.21 -22.51 47.75 22.38 3 0 1000.00 -999 ? >LEU~B 13 -25.35 45.32 27.72 -26.20 43.81 26.41 -25.77 44.56 27.06 3 0 1000.00 -999 ? >SER~B 14 -24.47 49.06 30.35 -22.22 49.83 30.67 -23.35 49.45 30.51 2 0 1000.00 -999 ? >LEU~B 15 -23.89 51.94 26.52 -21.79 52.34 26.12 -22.84 52.14 26.32 3 0 1000.00 -999 ? >TYR^B 16 -27.83 50.28 24.77 -26.15 50.40 22.54 -26.99 50.34 23.65 3 0 1000.00 -999 ? >ILE^B 17 -31.78 52.65 29.72 -32.69 53.71 30.11 -32.24 53.18 29.92 3 0 1000.00 -999 ? >ASP~B 18 -35.12 48.10 29.29 -36.50 46.78 28.40 -35.81 47.44 28.84 2 0 1000.00 -999 ? >HIS~B 19 -38.37 49.66 24.80 -39.26 47.83 24.31 -38.81 48.74 24.56 3 0 1000.00 -999 ? >HIS~B 20 -40.35 46.92 28.17 -40.67 45.55 26.62 -40.51 46.24 27.40 3 0 1000.00 -999 ? >THR~B 21 -38.28 51.18 31.77 -36.48 50.41 32.70 -37.38 50.79 32.24 2 0 1000.00 -999 ? >VAL~B 22 -38.41 54.61 30.09 -37.10 55.66 28.66 -37.75 55.13 29.38 3 0 1000.00 -999 ? >LEU~B 23 -42.67 53.23 28.17 -44.72 53.13 27.49 -43.69 53.18 27.83 3 0 1000.00 -999 ? >ALA~B 24 -43.21 52.86 32.53 -42.76 51.53 33.12 -42.99 52.19 32.82 2 0 1000.00 -999 ? >ASP~B 25 -40.13 56.21 33.94 -39.53 57.93 35.03 -39.83 57.07 34.48 2 0 1000.00 -999 ? >MET?B 26 -43.51 58.54 31.82 -43.49 58.94 27.61 -43.50 58.74 29.72 2 0 1000.00 -999 ? >GLN~B 27 -46.55 54.28 31.85 -47.85 53.48 33.33 -47.20 53.88 32.59 2 0 1000.00 -999 ? >ASN~B 28 -45.90 55.51 36.41 -46.74 53.60 36.12 -46.32 54.55 36.26 2 0 1000.00 -999 ? >ALA~B 29 -45.43 60.25 35.94 -46.63 61.09 36.36 -46.03 60.67 36.15 2 0 1000.00 -999 ? >THR~B 30 -42.59 58.94 38.15 -41.99 56.94 38.68 -42.29 57.94 38.41 2 0 1000.00 -999 ? >GLY~B 31 -40.30 61.32 36.29 -40.12 60.76 36.79 -40.21 61.04 36.54 1 0 1000.00 -999 ? >LYS~B 32 -36.98 59.80 37.33 -33.10 56.52 38.78 -35.04 58.16 38.05 2 0 1000.00 -999 ? >TYR~B 33 -35.38 57.34 33.64 -34.40 55.05 34.94 -34.89 56.20 34.29 3 0 1000.00 -999 ? >VAL^B 34 -35.06 63.00 31.57 -34.47 64.99 32.30 -34.76 64.00 31.93 3 0 1000.00 -999 ? >VAL^B 35 -35.21 61.98 27.90 -36.57 60.66 26.85 -35.89 61.32 27.38 3 0 1000.00 -999 ? >LEU^B 36 -31.49 64.23 26.11 -30.92 65.72 27.56 -31.20 64.98 26.84 3 0 1000.00 -999 ? >ASP^B 37 -34.44 64.69 21.06 -34.50 64.21 18.99 -34.47 64.45 20.03 2 0 1000.00 -999 ? >VAL~B 38 -29.60 64.53 20.78 -28.51 63.13 22.09 -29.05 63.83 21.43 3 0 1000.00 -999 ? >ARG~B 39 -33.24 62.49 16.77 -35.95 62.99 15.47 -34.59 62.74 16.12 2 0 1000.00 -999 ? >ASN~B 40 -26.80 67.03 14.66 -25.51 66.87 16.34 -26.16 66.95 15.50 2 0 1000.00 -999 ? >ALA~B 41 -30.76 67.46 12.24 -31.59 66.30 11.69 -31.17 66.88 11.97 2 0 1000.00 -999 ? >PRO~B 42 -32.41 70.74 9.94 -32.34 70.17 12.10 -32.38 70.46 11.02 3 0 1000.00 -999 ? >ALA~B 43 -36.39 70.81 13.56 -37.06 71.94 14.33 -36.72 71.37 13.94 2 0 1000.00 -999 ? >GLN~B 44 -35.66 71.99 8.68 -34.95 73.66 7.55 -35.31 72.82 8.11 2 0 1000.00 -999 ? >VAL~B 45 -36.09 67.54 9.35 -34.15 66.99 8.52 -35.12 67.27 8.93 3 0 1000.00 -999 ? >LYS~B 46 -37.00 65.77 12.60 -34.60 67.58 18.03 -35.80 66.67 15.31 2 0 1000.00 -999 ? >LYS~B 47 -40.57 67.07 12.91 -41.73 66.89 7.62 -41.15 66.98 10.27 2 0 1000.00 -999 ? >ASP~B 48 -41.83 63.34 15.01 -40.43 62.35 13.79 -41.13 62.84 14.40 2 0 1000.00 -999 ? >GLN~B 49 -39.96 65.57 20.37 -38.89 67.23 21.17 -39.43 66.40 20.77 2 0 1000.00 -999 ? >ILE~B 50 -39.46 60.50 22.94 -38.96 59.22 23.49 -39.21 59.86 23.21 3 0 1000.00 -999 ? >LYS~B 51 -43.28 62.89 24.07 -46.26 61.35 27.17 -44.77 62.12 25.62 2 0 1000.00 -999 ? >GLY~B 52 -41.98 65.40 26.58 -41.57 64.94 26.03 -41.77 65.17 26.31 1 0 1000.00 -999 ? >ALA~B 53 -38.38 65.37 25.50 -38.04 64.38 24.39 -38.21 64.87 24.95 2 0 1000.00 -999 ? >ILE^B 54 -34.79 68.26 26.88 -35.32 69.47 27.46 -35.05 68.87 27.17 3 0 1000.00 -999 ? >ALA^B 55 -34.06 68.85 22.30 -34.68 69.77 21.24 -34.37 69.31 21.77 2 0 1000.00 -999 ? >MET?B 56 -30.39 68.74 23.29 -28.55 70.43 25.61 -29.47 69.59 24.45 2 0 1000.00 -999 ? >PRO~B 57 -29.52 70.47 19.40 -28.76 68.76 20.61 -29.14 69.62 20.01 3 0 1000.00 -999 ? >ALA~B 58 -25.27 66.35 20.45 -25.08 65.01 19.79 -25.17 65.68 20.12 2 0 1000.00 -999 ? >LYS~B 59 -23.38 69.15 18.73 -27.54 71.19 15.98 -25.46 70.17 17.35 2 0 1000.00 -999 ? >ASP~B 60 -25.64 72.59 20.91 -25.57 73.28 18.91 -25.61 72.93 19.91 2 0 1000.00 -999 ? >LEU~B 61 -24.08 68.10 24.37 -24.83 66.72 25.83 -24.46 67.41 25.10 3 0 1000.00 -999 ? >ALA~B 62 -20.97 71.05 25.64 -19.62 70.79 24.99 -20.30 70.92 25.31 2 0 1000.00 -999 ? >THR~B 63 -22.07 74.60 24.74 -22.24 75.60 22.82 -22.15 75.10 23.78 2 0 1000.00 -999 ? >ARG~B 64 -27.85 74.32 24.08 -30.78 73.51 24.27 -29.31 73.92 24.17 2 0 1000.00 -999 ? >ILE~B 65 -22.10 71.87 29.73 -21.96 70.93 30.81 -22.03 71.40 30.27 3 0 1000.00 -999 ? >GLY~B 66 -24.85 74.39 32.31 -25.32 74.03 31.76 -25.09 74.21 32.03 1 0 1000.00 -999 ? >GLU~B 67 -29.11 75.22 29.47 -29.81 75.24 27.49 -29.46 75.24 28.48 2 0 1000.00 -999 ? >LEU~B 68 -27.34 69.04 31.94 -27.61 68.19 29.97 -27.48 68.62 30.96 3 0 1000.00 -999 ? >ASP~B 69 -30.33 69.07 36.79 -30.42 69.60 38.83 -30.38 69.33 37.81 2 0 1000.00 -999 ? >PRO~B 70 -25.35 68.63 38.62 -26.61 67.28 37.38 -25.98 67.96 38.00 3 0 1000.00 -999 ? >ALA~B 71 -28.89 65.13 39.77 -29.65 66.01 40.76 -29.27 65.57 40.26 2 0 1000.00 -999 ? >LYS~B 72 -31.34 63.96 37.12 -34.62 68.07 37.38 -32.98 66.01 37.25 2 0 1000.00 -999 ? >THR^B 73 -30.79 60.79 35.10 -30.85 58.75 35.84 -30.82 59.77 35.47 2 0 1000.00 -999 ? >TYR^B 74 -29.65 63.87 31.54 -30.05 66.30 32.87 -29.85 65.08 32.21 3 0 1000.00 -999 ? >VAL^B 75 -31.63 59.12 28.62 -33.08 57.57 29.03 -32.36 58.34 28.83 3 0 1000.00 -999 ? >VAL^B 76 -30.40 59.99 25.14 -28.25 60.26 25.33 -29.33 60.12 25.23 3 0 1000.00 -999 ? >TYR^B 77 -34.24 59.51 21.59 -36.00 61.58 20.95 -35.12 60.54 21.27 3 0 1000.00 -999 ? >ASP~B 78 -29.52 58.24 17.82 -28.23 59.42 16.66 -28.87 58.83 17.24 2 0 1000.00 -999 ? >TRP~B 79 -31.11 60.87 13.27 -34.49 62.09 11.67 -32.80 61.48 12.47 3 0 1000.00 -999 ? >THR~B 80 -31.86 54.47 14.66 -31.02 53.46 12.95 -31.44 53.96 13.81 2 0 1000.00 -999 ? >GLY~B 81 -29.82 51.94 16.59 -29.63 52.23 15.84 -29.72 52.09 16.22 1 0 1000.00 -999 ? >GLY~B 82 -27.10 52.36 13.98 -27.34 53.02 14.35 -27.22 52.69 14.17 1 0 1000.00 -999 ? >THR~B 83 -26.46 56.12 14.24 -28.38 57.15 14.16 -27.42 56.64 14.20 2 0 1000.00 -999 ? >THR~B 84 -23.67 57.31 16.53 -21.99 57.06 15.20 -22.83 57.18 15.86 2 0 1000.00 -999 ? >LEU~B 85 -26.06 61.44 17.31 -25.58 63.11 16.05 -25.82 62.28 16.68 3 0 1000.00 -999 ? >GLY~B 86 -26.48 58.80 20.94 -25.68 58.85 20.70 -26.08 58.83 20.82 1 0 1000.00 -999 ? >LYS~B 87 -23.08 57.43 21.96 -24.04 52.45 20.17 -23.56 54.94 21.06 2 0 1000.00 -999 ? >THR~B 88 -21.27 60.69 21.10 -20.76 61.93 19.38 -21.01 61.31 20.24 2 0 1000.00 -999 ? >ALA~B 89 -23.45 62.49 23.67 -24.96 62.68 23.52 -24.20 62.58 23.60 2 0 1000.00 -999 ? >LEU~B 90 -23.45 58.19 25.85 -24.59 56.87 27.09 -24.02 57.53 26.47 3 0 1000.00 -999 ? >LEU~B 91 -18.56 60.23 24.90 -16.45 59.76 24.91 -17.51 59.99 24.90 3 0 1000.00 -999 ? >VAL~B 92 -19.62 63.98 27.00 -19.88 65.79 25.81 -19.75 64.89 26.40 3 0 1000.00 -999 ? >LEU~B 93 -23.69 62.72 29.30 -25.40 64.02 29.06 -24.54 63.37 29.18 3 0 1000.00 -999 ? >LEU~B 94 -20.27 58.96 30.77 -21.59 57.24 30.75 -20.93 58.10 30.76 3 0 1000.00 -999 ? >SER~B 95 -17.19 62.21 31.35 -16.45 61.66 29.11 -16.82 61.94 30.23 2 0 1000.00 -999 ? >ALA~B 96 -18.77 65.31 32.86 -19.68 66.19 32.04 -19.23 65.75 32.45 2 0 1000.00 -999 ? >GLY~B 97 -20.01 63.25 35.80 -20.48 63.34 35.20 -20.25 63.30 35.50 1 0 1000.00 -999 ? >PHE~B 98 -24.15 65.10 33.59 -23.98 67.87 33.80 -24.06 66.48 33.69 3 0 1000.00 -999 ? >GLU^B 99 -26.94 57.81 36.04 -27.73 57.20 37.91 -27.34 57.51 36.97 2 0 1000.00 -999 ? >ALA^B 100 -26.75 58.91 31.30 -26.09 59.84 30.27 -26.42 59.37 30.78 2 0 1000.00 -999 ? >TYR^B 101 -28.64 54.72 31.44 -27.80 54.10 34.01 -28.22 54.41 32.72 3 0 1000.00 -999 ? >GLU^B 102 -27.94 55.85 23.25 -27.95 54.64 21.53 -27.95 55.24 22.39 2 0 1000.00 -999 ? >LEU^B 103 -33.46 55.42 24.23 -35.56 54.99 24.20 -34.51 55.20 24.21 3 0 1000.00 -999 ? >ALA~B 104 -32.23 50.97 23.34 -32.26 49.69 24.15 -32.25 50.33 23.74 2 0 1000.00 -999 ? >GLY~B 105 -33.86 50.84 19.93 -33.46 51.53 20.12 -33.66 51.18 20.03 1 0 1000.00 -999 ? >ALA~B 106 -33.62 54.59 19.33 -32.71 54.73 18.12 -33.17 54.66 18.73 2 0 1000.00 -999 ? >LEU~B 107 -36.32 57.98 17.21 -37.79 59.53 16.98 -37.05 58.76 17.09 3 0 1000.00 -999 ? >GLU~B 108 -36.26 52.65 13.16 -34.64 52.11 11.94 -35.45 52.38 12.55 2 0 1000.00 -999 ? >GLY~B 109 -37.80 51.33 17.52 -38.01 52.12 17.62 -37.91 51.72 17.57 1 0 1000.00 -999 ? >TRP~B 110 -41.09 56.62 21.01 -40.60 55.70 24.80 -40.84 56.16 22.91 3 0 1000.00 -999 ? >LYS~B 111 -42.03 54.74 16.80 -41.01 58.77 12.68 -41.52 56.75 14.74 2 0 1000.00 -999 ? >GLY~B 112 -42.34 51.20 15.48 -42.50 51.44 16.25 -42.42 51.32 15.86 1 0 1000.00 -999 ? >MET?B 113 -43.98 50.28 18.79 -41.09 48.55 21.43 -42.53 49.42 20.11 2 0 1000.00 -999 ? >GLN~B 114 -48.05 51.02 17.48 -47.83 51.86 15.53 -47.94 51.44 16.51 2 0 1000.00 -999 ? >LEU~B 115 -43.75 54.31 22.22 -43.27 52.33 22.92 -43.51 53.32 22.57 3 0 1000.00 -999 ? >PRO~B 116 -45.27 57.57 24.77 -45.73 57.55 22.61 -45.50 57.56 23.69 3 0 1000.00 -999 ? >VAL~B 117 -44.13 60.65 20.19 -43.62 59.95 18.19 -43.88 60.30 19.19 3 0 1000.00 -999 ? >GLU~B 118 -44.04 65.75 21.32 -43.81 66.42 23.30 -43.93 66.08 22.31 2 0 1000.00 -999 ? >THR~B 119 -44.61 66.61 17.00 -46.31 66.28 15.64 -45.46 66.44 16.32 2 0 1000.00 -999 ? >LEU~B 120 -41.43 70.15 17.89 -40.36 68.53 16.91 -40.90 69.34 17.40 3 0 1000.00 -999 ? >ALA~B 121 -43.42 73.06 15.18 -44.93 73.22 14.87 -44.18 73.14 15.03 2 0 1000.00 -999 ? >MET?C 1 -5.42 54.74 18.99 -2.80 52.97 21.84 -4.11 53.85 20.42 2 0 1000.00 -999 ? >ASN~C 2 -3.60 52.42 15.20 -3.53 50.85 13.76 -3.57 51.63 14.48 2 0 1000.00 -999 ? >ASP~C 3 -3.11 49.28 19.62 -1.20 49.70 18.84 -2.15 49.49 19.23 2 0 1000.00 -999 ? >LYS~C 4 -7.29 49.90 20.65 -6.26 53.77 24.38 -6.78 51.83 22.51 2 0 1000.00 -999 ? >LYS~C 5 -9.24 49.92 17.37 -8.87 55.23 13.87 -9.05 52.57 15.62 2 0 1000.00 -999 ? >ILE~C 6 -6.48 46.21 15.87 -6.53 45.93 14.43 -6.50 46.07 15.15 3 0 1000.00 -999 ? >GLU~C 7 -7.86 44.68 22.17 -6.72 45.29 23.84 -7.29 44.99 23.00 2 0 1000.00 -999 ? >LEU~C 8 -12.44 47.84 20.04 -14.49 48.46 20.38 -13.46 48.15 20.21 3 0 1000.00 -999 ? >LEU~C 9 -12.17 45.89 15.11 -12.65 47.65 13.94 -12.41 46.77 14.52 3 0 1000.00 -999 ? >THR~C 10 -11.34 41.88 17.03 -9.37 41.00 16.98 -10.35 41.44 17.00 2 0 1000.00 -999 ? >THR~C 11 -13.31 41.14 20.17 -12.80 41.52 22.21 -13.06 41.33 21.19 2 0 1000.00 -999 ? >TYR~C 12 -17.96 44.65 18.04 -20.58 45.51 17.55 -19.27 45.08 17.79 3 0 1000.00 -999 ? >LEU~C 13 -15.37 41.01 14.47 -15.55 42.52 12.95 -15.46 41.76 13.71 3 0 1000.00 -999 ? >SER~C 14 -15.70 37.65 17.65 -13.35 37.53 18.12 -14.53 37.59 17.89 2 0 1000.00 -999 ? >LEU~C 15 -19.87 39.12 19.62 -19.37 40.12 21.44 -19.62 39.62 20.53 3 0 1000.00 -999 ? >TYR^C 16 -21.38 39.41 14.98 -22.83 41.52 16.06 -22.11 40.47 15.52 3 0 1000.00 -999 ? >ILE^C 17 -20.82 32.79 13.63 -21.37 31.47 13.39 -21.09 32.13 13.51 3 0 1000.00 -999 ? >ASP~C 18 -19.12 33.94 8.44 -19.42 34.42 6.41 -19.27 34.18 7.43 2 0 1000.00 -999 ? >HIS~C 19 -24.42 34.55 5.79 -24.01 34.92 3.77 -24.21 34.74 4.78 3 0 1000.00 -999 ? >HIS~C 20 -20.95 32.32 3.17 -21.57 33.45 1.51 -21.26 32.88 2.34 3 0 1000.00 -999 ? >THR~C 21 -20.18 29.05 8.07 -18.48 29.30 9.36 -19.33 29.18 8.71 2 0 1000.00 -999 ? >VAL~C 22 -23.68 28.43 9.42 -24.95 29.56 10.78 -24.31 29.00 10.10 3 0 1000.00 -999 ? >LEU~C 23 -25.01 28.60 4.81 -26.28 27.86 3.20 -25.65 28.23 4.01 3 0 1000.00 -999 ? >ALA~C 24 -22.14 25.10 5.41 -20.65 25.44 5.42 -21.39 25.27 5.41 2 0 1000.00 -999 ? >ASP~C 25 -22.95 23.98 10.09 -23.28 22.60 11.66 -23.12 23.29 10.87 2 0 1000.00 -999 ? >MET?C 26 -26.60 23.25 7.73 -29.75 26.09 7.53 -28.17 24.67 7.63 2 0 1000.00 -999 ? >GLN~C 27 -26.21 23.70 2.73 -25.18 24.99 1.38 -25.70 24.35 2.06 2 0 1000.00 -999 ? >ASN~C 28 -21.85 19.71 5.68 -20.79 20.40 3.99 -21.32 20.05 4.84 2 0 1000.00 -999 ? >ALA~C 29 -25.54 18.30 8.16 -26.35 17.13 7.62 -25.95 17.71 7.89 2 0 1000.00 -999 ? >THR~C 30 -22.33 18.15 10.25 -20.81 19.27 9.18 -21.57 18.71 9.71 2 0 1000.00 -999 ? >GLY~C 31 -24.52 19.49 13.03 -23.79 19.51 12.98 -24.16 19.50 13.00 1 0 1000.00 -999 ? >LYS~C 32 -22.23 21.56 15.16 -17.01 23.73 15.33 -19.62 22.65 15.25 2 0 1000.00 -999 ? >TYR^C 33 -22.59 26.20 13.95 -19.91 27.01 13.74 -21.25 26.60 13.85 3 0 1000.00 -999 ? >VAL^C 34 -27.76 25.18 16.79 -28.53 23.83 18.33 -28.15 24.51 17.56 3 0 1000.00 -999 ? >VAL^C 35 -29.60 28.30 15.67 -29.68 29.16 13.67 -29.64 28.73 14.67 3 0 1000.00 -999 ? >LEU^C 36 -31.10 30.31 19.72 -30.65 28.74 21.14 -30.88 29.52 20.43 3 0 1000.00 -999 ? >ASP^C 37 -35.61 32.12 16.48 -36.81 33.73 15.86 -36.21 32.92 16.17 2 0 1000.00 -999 ? >VAL~C 38 -34.14 34.92 20.19 -32.01 35.15 20.43 -33.08 35.03 20.31 3 0 1000.00 -999 ? >ARG~C 39 -37.47 37.32 15.34 -38.81 36.00 12.92 -38.14 36.66 14.13 2 0 1000.00 -999 ? >ASN~C 40 -39.37 39.38 22.64 -37.60 38.97 23.78 -38.48 39.17 23.21 2 0 1000.00 -999 ? >ALA~C 41 -42.80 38.03 19.57 -42.44 38.68 18.24 -42.62 38.35 18.91 2 0 1000.00 -999 ? >PRO~C 42 -46.98 37.25 18.85 -45.17 36.01 19.22 -46.08 36.63 19.03 3 0 1000.00 -999 ? >ALA~C 43 -45.31 32.82 16.33 -45.58 31.32 16.50 -45.44 32.07 16.42 2 0 1000.00 -999 ? >GLN~C 44 -49.35 35.43 16.96 -51.10 36.12 17.96 -50.23 35.77 17.46 2 0 1000.00 -999 ? >VAL~C 45 -46.21 37.80 14.26 -46.17 39.62 15.49 -46.19 38.71 14.88 3 0 1000.00 -999 ? >LYS~C 46 -42.94 36.09 13.31 -40.44 32.75 17.43 -41.69 34.42 15.37 2 0 1000.00 -999 ? >LYS~C 47 -44.49 33.42 11.04 -47.73 37.86 9.92 -46.11 35.64 10.48 2 0 1000.00 -999 ? >ASP~C 48 -40.25 33.97 9.00 -40.85 33.94 7.02 -40.55 33.96 8.01 2 0 1000.00 -999 ? >GLN^C 49 -37.45 29.18 12.74 -38.33 27.68 13.97 -37.89 28.43 13.36 2 0 1000.00 -999 ? >ILE^C 50 -33.03 30.39 10.28 -31.76 31.08 10.00 -32.40 30.74 10.14 3 0 1000.00 -999 ? >LYS~C 51 -34.41 26.22 8.72 -33.11 22.74 4.87 -33.76 24.48 6.79 2 0 1000.00 -999 ? >GLY~C 52 -33.98 24.15 11.88 -34.13 24.93 11.94 -34.06 24.54 11.91 1 0 1000.00 -999 ? >ALA~C 53 -33.89 27.10 14.25 -34.13 28.55 13.88 -34.01 27.82 14.07 2 0 1000.00 -999 ? >ILE^C 54 -34.32 26.05 18.90 -34.06 24.96 19.83 -34.19 25.51 19.37 3 0 1000.00 -999 ? >ALA^C 55 -37.53 29.42 19.09 -39.03 29.49 18.85 -38.28 29.45 18.97 2 0 1000.00 -999 ? >MET?C 56 -36.23 30.81 22.38 -33.79 28.70 24.99 -35.01 29.76 23.69 2 0 1000.00 -999 ? >PRO~C 57 -39.29 33.81 22.83 -37.09 33.74 23.00 -38.19 33.78 22.92 3 0 1000.00 -999 ? >ALA~C 58 -34.29 36.54 24.60 -33.74 37.83 24.00 -34.02 37.18 24.30 2 0 1000.00 -999 ? >LYS~C 59 -36.42 37.53 27.58 -41.56 37.89 26.06 -38.99 37.71 26.82 2 0 1000.00 -999 ? >ASP~C 60 -37.91 33.15 27.93 -39.68 34.17 28.39 -38.79 33.66 28.16 2 0 1000.00 -999 ? >LEU~C 61 -32.29 33.05 26.70 -30.60 32.13 25.74 -31.45 32.59 26.22 3 0 1000.00 -999 ? >ALA~C 62 -31.87 32.97 31.16 -31.71 34.34 31.82 -31.79 33.65 31.49 2 0 1000.00 -999 ? >THR~C 63 -34.76 30.83 32.46 -36.51 31.72 33.35 -35.64 31.27 32.91 2 0 1000.00 -999 ? >ARG~C 64 -37.90 29.08 27.68 -38.62 27.77 25.01 -38.26 28.42 26.34 2 0 1000.00 -999 ? >ILE~C 65 -29.98 28.56 29.86 -28.75 28.79 30.45 -29.37 28.68 30.16 3 0 1000.00 -999 ? >GLY~C 66 -31.35 24.27 30.97 -31.64 24.48 30.24 -31.49 24.37 30.60 1 0 1000.00 -999 ? >GLU~C 67 -35.25 23.95 27.99 -36.84 24.97 26.98 -36.04 24.46 27.49 2 0 1000.00 -999 ? >LEU~C 68 -29.08 25.02 25.62 -30.20 26.65 24.71 -29.64 25.84 25.17 3 0 1000.00 -999 ? >ASP~C 69 -26.69 20.13 24.48 -24.90 19.03 24.41 -25.80 19.58 24.45 2 0 1000.00 -999 ? >PRO~C 70 -23.96 22.21 28.73 -23.91 22.41 26.53 -23.93 22.31 27.63 3 0 1000.00 -999 ? >ALA~C 71 -21.17 20.80 24.06 -21.12 19.29 23.94 -21.15 20.04 24.00 2 0 1000.00 -999 ? >LYS~C 72 -23.20 22.42 21.26 -25.28 18.30 18.36 -24.24 20.36 19.81 2 0 1000.00 -999 ? >THR^C 73 -22.28 25.81 19.77 -20.42 26.48 18.91 -21.35 26.15 19.34 2 0 1000.00 -999 ? >TYR^C 74 -26.60 27.19 21.45 -27.62 24.76 22.39 -27.11 25.98 21.92 3 0 1000.00 -999 ? >VAL^C 75 -25.96 30.90 17.06 -25.15 30.78 15.03 -25.56 30.84 16.04 3 0 1000.00 -999 ? >VAL^C 76 -28.50 33.57 18.12 -27.86 34.10 20.14 -28.18 33.83 19.13 3 0 1000.00 -999 ? >TYR^C 77 -31.72 34.68 14.17 -33.98 33.16 13.54 -32.85 33.92 13.85 3 0 1000.00 -999 ? >ASP~C 78 -32.58 40.02 16.92 -34.29 41.14 17.53 -33.43 40.58 17.23 2 0 1000.00 -999 ? >TRP~C 79 -37.62 41.17 15.59 -40.21 39.84 12.98 -38.91 40.51 14.29 3 0 1000.00 -999 ? >THR~C 80 -31.98 42.81 12.19 -33.10 44.65 12.17 -32.54 43.73 12.18 2 0 1000.00 -999 ? >GLY~C 81 -29.06 42.55 14.59 -29.47 43.24 14.42 -29.26 42.90 14.51 1 0 1000.00 -999 ? >GLY~C 82 -29.00 46.32 14.64 -29.45 45.87 15.21 -29.23 46.09 14.93 1 0 1000.00 -999 ? >THR~C 83 -30.32 46.16 18.24 -32.28 45.28 17.88 -31.30 45.72 18.06 2 0 1000.00 -999 ? >THR~C 84 -28.99 44.94 21.60 -29.19 46.62 22.94 -29.09 45.78 22.27 2 0 1000.00 -999 ? >LEU~C 85 -32.40 41.58 20.89 -34.21 40.80 21.74 -33.30 41.19 21.32 3 0 1000.00 -999 ? >GLY~C 86 -28.48 39.56 20.22 -28.41 40.06 20.88 -28.44 39.81 20.55 1 0 1000.00 -999 ? >LYS~C 87 -25.77 40.59 22.67 -24.45 44.29 19.23 -25.11 42.44 20.95 2 0 1000.00 -999 ? >THR~C 88 -28.11 40.40 25.63 -29.95 41.25 26.32 -29.03 40.82 25.97 2 0 1000.00 -999 ? >ALA~C 89 -28.74 36.70 24.95 -29.45 36.21 23.71 -29.09 36.46 24.33 2 0 1000.00 -999 ? >LEU~C 90 -24.37 36.92 23.04 -23.09 36.14 21.51 -23.73 36.53 22.27 3 0 1000.00 -999 ? >LEU~C 91 -24.25 38.77 28.09 -23.03 39.75 29.61 -23.64 39.26 28.85 3 0 1000.00 -999 ? >VAL~C 92 -26.23 34.94 29.25 -28.35 34.82 29.72 -27.29 34.88 29.48 3 0 1000.00 -999 ? >LEU~C 93 -25.31 31.86 25.63 -27.06 30.97 24.72 -26.19 31.42 25.18 3 0 1000.00 -999 ? >LEU~C 94 -20.66 34.20 26.78 -19.98 34.27 24.73 -20.32 34.24 25.76 3 0 1000.00 -999 ? >SER~C 95 -21.54 33.31 31.14 -22.13 35.65 31.33 -21.83 34.48 31.24 2 0 1000.00 -999 ? >ALA~C 96 -23.24 29.92 31.55 -24.64 29.59 31.06 -23.94 29.76 31.30 2 0 1000.00 -999 ? >GLY~C 97 -20.11 28.45 29.96 -20.71 28.65 29.50 -20.41 28.55 29.73 1 0 1000.00 -999 ? >PHE~C 98 -24.06 27.36 26.77 -26.02 25.73 27.84 -25.04 26.55 27.30 3 0 1000.00 -999 ? >GLU^C 99 -17.96 28.46 21.75 -17.03 27.02 20.52 -17.50 27.74 21.14 2 0 1000.00 -999 ? >ALA^C 100 -22.26 31.15 21.17 -23.55 31.42 21.92 -22.90 31.28 21.55 2 0 1000.00 -999 ? >TYR^C 101 -20.14 32.52 17.51 -17.93 30.92 18.14 -19.04 31.72 17.83 3 0 1000.00 -999 ? >GLU^C 102 -26.01 38.37 17.16 -26.16 40.45 17.44 -26.09 39.41 17.30 2 0 1000.00 -999 ? >LEU^C 103 -26.85 34.85 12.91 -27.10 33.63 11.14 -26.97 34.24 12.03 3 0 1000.00 -999 ? >ALA~C 104 -23.95 38.21 11.22 -22.58 38.11 10.57 -23.27 38.16 10.90 2 0 1000.00 -999 ? >GLY~C 105 -26.68 39.91 9.23 -26.85 39.63 10.00 -26.77 39.77 9.61 1 0 1000.00 -999 ? >ALA~C 106 -29.40 38.46 11.43 -29.97 39.70 12.08 -29.68 39.08 11.76 2 0 1000.00 -999 ? >LEU~C 107 -34.10 37.33 10.60 -35.88 36.18 10.05 -34.99 36.75 10.32 3 0 1000.00 -999 ? >GLU~C 108 -33.90 42.56 8.05 -33.69 44.55 7.32 -33.80 43.55 7.68 2 0 1000.00 -999 ? >GLY~C 109 -29.57 39.27 5.99 -30.24 38.80 6.12 -29.91 39.04 6.05 1 0 1000.00 -999 ? >TRP~C 110 -31.91 32.56 6.63 -28.50 30.72 7.25 -30.20 31.64 6.94 3 0 1000.00 -999 ? >LYS~C 111 -33.79 36.26 3.96 -39.38 36.84 5.54 -36.59 36.55 4.75 2 0 1000.00 -999 ? >GLY~C 112 -32.12 38.88 1.78 -31.89 38.06 1.91 -32.01 38.47 1.84 1 0 1000.00 -999 ? >MET?C 113 -29.59 36.23 0.81 -26.51 37.49 0.69 -28.05 36.86 0.75 2 0 1000.00 -999 ? >GLN~C 114 -32.71 35.18 -2.28 -34.77 35.64 -2.14 -33.74 35.41 -2.21 2 0 1000.00 -999 ? >LEU~C 115 -30.07 31.56 3.38 -28.05 31.65 2.62 -29.06 31.60 3.00 3 0 1000.00 -999 ? >PRO~C 116 -31.23 27.48 4.14 -32.85 28.87 3.49 -32.04 28.17 3.82 3 0 1000.00 -999 ? >VAL^C 117 -36.35 29.74 5.73 -36.68 31.86 6.00 -36.52 30.80 5.86 3 0 1000.00 -999 ? >GLU^C 118 -39.35 26.48 9.08 -38.30 24.86 10.00 -38.82 25.67 9.54 2 0 1000.00 -999 ? >THR~C 119 -42.95 28.59 8.15 -44.30 29.75 6.90 -43.62 29.17 7.53 2 0 1000.00 -999 ? >LEU~C 120 -43.02 25.54 11.38 -43.45 23.43 11.72 -43.24 24.49 11.55 3 0 1000.00 -999 ? >ASN~D 2 25.58 44.19 8.86 27.54 43.69 8.16 26.56 43.94 8.51 2 0 1000.00 -999 ? >ASP~D 3 22.73 47.57 13.17 24.04 47.52 14.87 23.39 47.54 14.02 2 0 1000.00 -999 ? >LYS~D 4 20.03 46.77 9.82 20.67 51.51 7.09 20.35 49.14 8.45 2 0 1000.00 -999 ? >LYS~D 5 20.82 43.44 8.16 25.97 43.87 4.43 23.40 43.65 6.30 2 0 1000.00 -999 ? >ILE~D 6 21.81 41.77 12.63 22.85 41.17 13.46 22.33 41.47 13.04 3 0 1000.00 -999 ? >GLU~D 7 16.20 45.65 12.82 15.77 45.00 14.76 15.98 45.33 13.79 2 0 1000.00 -999 ? >LEU~D 8 16.23 42.99 7.72 14.91 42.89 5.99 15.57 42.94 6.86 3 0 1000.00 -999 ? >LEU~D 9 18.50 38.48 9.26 19.62 37.89 7.53 19.06 38.18 8.40 3 0 1000.00 -999 ? >THR~D 10 15.98 38.49 12.93 16.86 38.94 14.86 16.42 38.71 13.89 2 0 1000.00 -999 ? >THR~D 11 12.48 39.91 12.42 11.62 41.91 12.63 12.05 40.91 12.52 2 0 1000.00 -999 ? >TYR~D 12 12.41 37.66 6.59 11.46 36.32 4.31 11.94 36.99 5.45 3 0 1000.00 -999 ? >LEU~D 13 14.36 34.34 10.78 15.90 33.54 9.46 15.13 33.94 10.12 3 0 1000.00 -999 ? >SER~D 14 10.64 35.17 13.41 9.96 37.44 13.71 10.30 36.30 13.56 2 0 1000.00 -999 ? >LEU~D 15 7.84 35.85 9.53 7.33 37.94 9.18 7.58 36.90 9.35 3 0 1000.00 -999 ? >TYR^D 16 9.42 31.82 7.81 9.20 33.24 5.41 9.31 32.53 6.61 3 0 1000.00 -999 ? >ILE^D 17 6.91 27.98 12.75 5.87 27.09 13.15 6.39 27.54 12.95 3 0 1000.00 -999 ? >ASP~D 18 11.42 24.67 12.66 12.87 23.37 11.87 12.14 24.02 12.27 2 0 1000.00 -999 ? >HIS~D 19 10.07 21.53 7.76 11.69 20.24 7.41 10.88 20.88 7.58 3 0 1000.00 -999 ? >HIS~D 20 11.92 18.51 12.88 12.28 16.70 13.88 12.10 17.61 13.38 3 0 1000.00 -999 ? >THR~D 21 8.39 21.29 14.77 8.91 22.95 16.04 8.65 22.12 15.41 2 0 1000.00 -999 ? >VAL~D 22 5.02 21.11 12.98 4.00 22.40 11.51 4.51 21.75 12.24 3 0 1000.00 -999 ? >LEU~D 23 6.61 16.96 11.04 6.63 14.96 10.22 6.62 15.96 10.63 3 0 1000.00 -999 ? >ALA~D 24 6.78 16.45 15.44 8.16 16.77 15.98 7.47 16.61 15.71 2 0 1000.00 -999 ? >ASP~D 25 3.39 19.53 16.60 1.73 20.26 17.70 2.56 19.90 17.15 2 0 1000.00 -999 ? >MET?D 26 0.83 16.38 14.76 0.85 17.21 10.55 0.84 16.80 12.66 2 0 1000.00 -999 ? >GLN~D 27 4.84 12.76 14.62 6.50 12.16 13.44 5.67 12.46 14.03 2 0 1000.00 -999 ? >ASN~D 28 3.77 13.89 19.11 5.64 12.93 18.88 4.70 13.41 19.00 2 0 1000.00 -999 ? >ALA~D 29 -1.01 14.35 18.93 -1.87 13.15 19.32 -1.44 13.75 19.12 2 0 1000.00 -999 ? >THR~D 30 0.44 17.10 21.17 2.49 17.58 21.69 1.46 17.34 21.43 2 0 1000.00 -999 ? >GLY~D 31 -2.11 19.56 19.79 -1.39 19.71 20.09 -1.75 19.64 19.94 1 0 1000.00 -999 ? >LYS~D 32 0.17 22.57 20.19 2.08 27.11 22.25 1.13 24.84 21.22 2 0 1000.00 -999 ? >TYR^D 33 2.27 24.20 16.52 4.61 24.84 17.93 3.44 24.52 17.22 3 0 1000.00 -999 ? >VAL^D 34 -3.43 24.58 14.62 -5.41 25.17 15.35 -4.42 24.87 14.99 3 0 1000.00 -999 ? >VAL^D 35 -2.36 24.47 10.96 -1.03 23.13 9.89 -1.70 23.80 10.42 3 0 1000.00 -999 ? >LEU^D 36 -4.50 28.18 9.07 -5.91 28.71 10.63 -5.21 28.44 9.85 3 0 1000.00 -999 ? >ASP^D 37 -5.17 25.22 4.07 -4.71 25.04 2.00 -4.94 25.13 3.03 2 0 1000.00 -999 ? >VAL~D 38 -4.94 30.08 3.78 -3.49 31.18 5.06 -4.21 30.63 4.42 3 0 1000.00 -999 ? >ARG~D 39 -2.72 26.47 -0.29 -3.28 23.74 -1.50 -3.00 25.10 -0.90 2 0 1000.00 -999 ? >ASN~D 40 -7.50 32.74 -2.31 -7.24 34.10 -0.70 -7.37 33.42 -1.50 2 0 1000.00 -999 ? >ALA~D 41 -7.82 28.79 -4.75 -6.65 28.01 -5.33 -7.24 28.40 -5.04 2 0 1000.00 -999 ? >PRO~D 42 -11.83 28.16 -6.27 -10.53 27.19 -4.75 -11.18 27.68 -5.51 3 0 1000.00 -999 ? >ALA~D 43 -10.93 23.14 -3.33 -12.04 22.39 -2.62 -11.49 22.76 -2.98 2 0 1000.00 -999 ? >GLN~D 44 -12.36 21.71 -9.07 -11.00 20.75 -10.41 -11.68 21.23 -9.74 2 0 1000.00 -999 ? >VAL~D 45 -7.52 23.97 -7.70 -7.05 25.95 -8.49 -7.28 24.96 -8.10 3 0 1000.00 -999 ? >LYS~D 46 -6.02 23.04 -4.31 -8.19 24.71 0.95 -7.11 23.88 -1.68 2 0 1000.00 -999 ? >LYS~D 47 -6.61 19.29 -4.81 -5.16 18.89 -10.03 -5.89 19.09 -7.42 2 0 1000.00 -999 ? >ASP^D 48 -4.06 17.23 -1.51 -2.23 17.75 -2.47 -3.15 17.49 -1.99 2 0 1000.00 -999 ? >GLN^D 49 -6.08 19.81 3.28 -7.62 20.82 4.34 -6.85 20.31 3.81 2 0 1000.00 -999 ? >ILE^D 50 -0.97 20.38 5.68 0.36 20.86 6.19 -0.31 20.62 5.94 3 0 1000.00 -999 ? >LYS~D 51 -3.06 16.49 7.08 -4.45 11.68 8.36 -3.75 14.08 7.72 2 0 1000.00 -999 ? >GLY~D 52 -5.72 17.84 9.39 -5.26 18.26 8.88 -5.49 18.05 9.13 1 0 1000.00 -999 ? >ALA~D 53 -5.49 21.43 8.26 -4.50 21.80 7.16 -5.00 21.61 7.71 2 0 1000.00 -999 ? >ILE^D 54 -8.66 24.70 9.95 -8.75 24.43 10.77 -8.70 24.57 10.36 3 0 1000.00 -999 ? >ALA^D 55 -9.20 25.71 5.42 -10.10 25.16 4.32 -9.65 25.43 4.87 2 0 1000.00 -999 ? >MET?D 56 -9.13 29.41 6.26 -10.83 31.41 8.38 -9.98 30.41 7.32 2 0 1000.00 -999 ? >PRO~D 57 -10.47 30.12 2.19 -8.94 30.98 3.55 -9.71 30.55 2.87 3 0 1000.00 -999 ? >ALA~D 58 -6.67 34.58 3.60 -5.33 34.87 2.98 -6.00 34.73 3.29 2 0 1000.00 -999 ? >LYS~D 59 -9.49 36.41 1.86 -11.86 32.43 -1.26 -10.68 34.42 0.30 2 0 1000.00 -999 ? >ASP~D 60 -12.81 34.04 4.13 -13.58 34.11 2.16 -13.20 34.08 3.14 2 0 1000.00 -999 ? >LEU~D 61 -8.38 35.60 7.59 -6.97 34.90 9.05 -7.68 35.25 8.32 3 0 1000.00 -999 ? >ALA~D 62 -11.37 38.63 8.82 -11.18 39.97 8.12 -11.27 39.30 8.47 2 0 1000.00 -999 ? >THR~D 63 -14.93 37.72 7.84 -15.93 37.60 5.94 -15.43 37.66 6.89 2 0 1000.00 -999 ? >ARG~D 64 -14.63 32.13 6.96 -13.65 29.24 6.81 -14.14 30.68 6.89 2 0 1000.00 -999 ? >ILE~D 65 -11.75 37.44 12.65 -11.81 37.97 14.06 -11.78 37.70 13.36 3 0 1000.00 -999 ? >GLY~D 66 -14.63 34.93 15.24 -14.26 34.41 14.74 -14.44 34.67 14.99 1 0 1000.00 -999 ? >GLU~D 67 -15.62 30.59 12.64 -15.66 29.98 10.61 -15.64 30.28 11.63 2 0 1000.00 -999 ? >LEU~D 68 -9.38 32.36 15.09 -8.59 32.12 13.10 -8.98 32.24 14.09 3 0 1000.00 -999 ? >ASP~D 69 -9.28 29.55 19.99 -9.58 29.53 22.09 -9.43 29.54 21.04 2 0 1000.00 -999 ? >PRO~D 70 -8.80 34.98 20.86 -7.48 33.24 20.55 -8.14 34.11 20.70 3 0 1000.00 -999 ? >ALA~D 71 -5.41 31.01 23.09 -6.14 30.63 24.37 -5.77 30.82 23.73 2 0 1000.00 -999 ? >LYS~D 72 -3.93 28.79 20.40 -9.42 25.83 19.61 -6.68 27.31 20.01 2 0 1000.00 -999 ? >THR^D 73 -0.93 28.85 18.11 1.09 28.69 18.78 0.08 28.77 18.44 2 0 1000.00 -999 ? >TYR^D 74 -4.26 29.93 14.55 -6.76 29.56 15.73 -5.51 29.74 15.14 3 0 1000.00 -999 ? >VAL^D 75 0.49 28.05 11.68 2.06 26.61 12.08 1.27 27.33 11.88 3 0 1000.00 -999 ? >VAL^D 76 -0.29 29.29 8.19 -0.48 31.44 8.42 -0.38 30.36 8.30 3 0 1000.00 -999 ? >TYR^D 77 0.12 25.47 4.73 -2.04 23.79 4.23 -0.96 24.63 4.48 3 0 1000.00 -999 ? >ASP~D 78 1.46 30.08 0.82 0.28 31.39 -0.34 0.87 30.74 0.24 2 0 1000.00 -999 ? >TRP~D 79 -1.12 28.48 -3.68 -2.40 25.08 -5.17 -1.76 26.78 -4.42 3 0 1000.00 -999 ? >THR~D 80 5.32 27.80 -2.22 5.44 28.21 -4.33 5.38 28.01 -3.28 2 0 1000.00 -999 ? >GLY~D 81 7.78 29.99 -0.37 7.52 30.17 -1.14 7.65 30.08 -0.75 1 0 1000.00 -999 ? >GLY~D 82 7.29 32.76 -2.92 6.60 32.49 -2.58 6.95 32.63 -2.75 1 0 1000.00 -999 ? >THR~D 83 3.54 33.32 -2.54 2.28 31.57 -2.69 2.91 32.45 -2.62 2 0 1000.00 -999 ? >THR~D 84 2.19 36.05 -0.29 2.36 37.61 -1.76 2.28 36.83 -1.03 2 0 1000.00 -999 ? >LEU~D 85 -1.97 33.70 0.77 -3.32 33.90 -0.88 -2.64 33.80 -0.06 3 0 1000.00 -999 ? >GLY~D 86 0.93 33.26 4.07 0.79 34.06 3.86 0.86 33.66 3.96 1 0 1000.00 -999 ? >LYS~D 87 2.22 36.67 5.13 7.58 35.97 4.36 4.90 36.32 4.75 2 0 1000.00 -999 ? >THR~D 88 -1.03 38.48 4.20 -2.31 38.94 2.48 -1.67 38.71 3.34 2 0 1000.00 -999 ? >ALA~D 89 -2.79 36.15 6.63 -2.91 34.64 6.43 -2.85 35.40 6.53 2 0 1000.00 -999 ? >LEU~D 90 1.50 36.15 8.88 2.79 35.01 10.17 2.15 35.58 9.53 3 0 1000.00 -999 ? >LEU~D 91 -0.55 41.12 7.86 -0.05 43.21 7.96 -0.30 42.17 7.91 3 0 1000.00 -999 ? >VAL~D 92 -4.29 40.10 9.98 -6.09 39.83 8.79 -5.19 39.97 9.38 3 0 1000.00 -999 ? >LEU~D 93 -3.03 36.01 12.27 -4.27 34.26 12.00 -3.65 35.14 12.13 3 0 1000.00 -999 ? >LEU~D 94 0.74 39.20 13.90 2.47 37.91 14.01 1.61 38.55 13.95 3 0 1000.00 -999 ? >SER~D 95 -2.54 42.35 14.25 -2.01 43.20 12.05 -2.27 42.78 13.15 2 0 1000.00 -999 ? >ALA~D 96 -5.70 40.94 15.76 -6.61 39.98 15.01 -6.15 40.46 15.39 2 0 1000.00 -999 ? >GLY~D 97 -3.61 39.73 18.69 -3.69 39.23 18.09 -3.65 39.48 18.39 1 0 1000.00 -999 ? >PHE~D 98 -5.58 35.58 16.59 -8.36 35.77 16.76 -6.97 35.67 16.68 3 0 1000.00 -999 ? >GLU^D 99 1.94 33.35 19.12 2.45 31.49 19.93 2.20 32.42 19.52 2 0 1000.00 -999 ? >ALA^D 100 0.85 32.74 14.55 -0.23 33.11 13.52 0.31 32.92 14.03 2 0 1000.00 -999 ? >TYR^D 101 5.02 31.17 14.47 5.41 31.85 17.15 5.21 31.51 15.81 3 0 1000.00 -999 ? >GLU^D 102 4.58 31.44 6.07 5.15 32.92 4.62 4.87 32.18 5.35 2 0 1000.00 -999 ? >LEU^D 103 4.39 26.28 7.26 4.83 24.19 7.17 4.61 25.23 7.22 3 0 1000.00 -999 ? >ALA~D 104 8.81 27.41 6.41 10.07 27.31 7.23 9.44 27.36 6.82 2 0 1000.00 -999 ? >GLY~D 105 8.85 25.87 2.96 8.16 26.25 3.18 8.50 26.06 3.07 1 0 1000.00 -999 ? >ALA~D 106 5.09 26.08 2.47 4.91 26.99 1.26 5.00 26.54 1.87 2 0 1000.00 -999 ? >LEU~D 107 1.76 23.21 0.41 0.36 21.58 0.16 1.06 22.40 0.29 3 0 1000.00 -999 ? >GLU~D 108 7.40 23.95 -3.43 8.41 25.77 -3.82 7.90 24.86 -3.63 2 0 1000.00 -999 ? >GLY~D 109 8.43 21.85 0.35 7.64 21.70 0.52 8.03 21.78 0.43 1 0 1000.00 -999 ? >TRP~D 110 3.20 18.76 4.09 4.29 19.27 7.85 3.75 19.01 5.97 3 0 1000.00 -999 ? >LYS~D 111 4.81 17.63 0.09 0.63 18.40 -3.93 2.72 18.01 -1.92 2 0 1000.00 -999 ? >GLY~D 112 8.24 17.56 -1.51 8.02 17.32 -0.75 8.13 17.44 -1.13 1 0 1000.00 -999 ? >MET?D 113 9.50 15.84 1.63 11.47 18.58 4.19 10.49 17.21 2.91 2 0 1000.00 -999 ? >GLN~D 114 8.68 11.69 0.28 7.57 11.65 -1.55 8.13 11.67 -0.64 2 0 1000.00 -999 ? >LEU~D 115 5.24 15.88 5.08 7.21 16.27 5.89 6.23 16.07 5.49 3 0 1000.00 -999 ? >PRO~D 116 2.05 14.39 7.64 1.97 13.94 5.47 2.01 14.17 6.55 3 0 1000.00 -999 ? >VAL^D 117 -1.31 15.39 3.14 -0.60 15.76 1.09 -0.96 15.57 2.11 3 0 1000.00 -999 ? >GLU^D 118 -6.20 15.46 4.62 -6.86 15.21 6.59 -6.53 15.33 5.60 2 0 1000.00 -999 ? >THR^D 119 -7.20 15.06 -0.25 -7.57 13.20 -1.30 -7.38 14.13 -0.77 2 0 1000.00 -999 ? >LEU~D 120 -10.21 18.70 -0.82 -9.15 20.33 0.13 -9.68 19.51 -0.34 3 0 1000.00 -999 ? >ALA~D 121 -12.49 14.79 -2.14 -13.13 13.91 -1.07 -12.81 14.35 -1.61 2 0 1000.00 -999 ? >ASP~D 122 -13.35 18.42 -5.03 -11.53 17.98 -6.02 -12.44 18.20 -5.52 2 0 1000.00 -999 ? >LEU~D 123 -15.36 14.03 -7.45 -16.14 12.45 -8.73 -15.75 13.24 -8.09 3 0 1000.00 -999 ? >MET?E 1 4.85 54.49 2.12 6.57 56.32 4.76 5.71 55.41 3.44 2 0 1000.00 -999 ? >ASN~E 2 6.98 55.60 -2.02 7.39 54.67 -3.89 7.19 55.13 -2.96 2 0 1000.00 -999 ? >ASP~E 3 9.94 56.85 2.50 10.73 58.62 1.71 10.34 57.74 2.10 2 0 1000.00 -999 ? >LYS~E 4 9.72 52.62 3.70 5.49 53.32 6.54 7.61 52.97 5.12 2 0 1000.00 -999 ? >LYS~E 5 9.60 50.53 0.51 4.42 50.77 -3.17 7.01 50.65 -1.33 2 0 1000.00 -999 ? >ILE~E 6 13.29 53.02 -1.39 13.64 53.89 -2.51 13.46 53.46 -1.95 3 0 1000.00 -999 ? >GLU~E 7 15.12 52.17 4.97 14.32 52.45 6.91 14.72 52.31 5.94 2 0 1000.00 -999 ? >LEU~E 8 11.93 47.17 3.21 11.38 45.10 3.61 11.65 46.14 3.41 3 0 1000.00 -999 ? >LEU~E 9 13.88 47.65 -1.77 12.20 47.20 -3.08 13.04 47.43 -2.42 3 0 1000.00 -999 ? >THR~E 10 17.90 48.44 0.13 18.80 50.39 0.20 18.35 49.41 0.16 2 0 1000.00 -999 ? >THR~E 11 18.47 46.30 3.21 18.04 46.80 5.24 18.26 46.55 4.22 2 0 1000.00 -999 ? >TYR~E 12 15.00 41.61 1.14 14.24 39.01 0.47 14.62 40.31 0.81 3 0 1000.00 -999 ? >LEU~E 13 18.55 44.43 -2.44 17.20 44.20 -4.09 17.88 44.32 -3.26 3 0 1000.00 -999 ? >SER~E 14 22.04 44.18 0.38 21.78 45.40 2.48 21.91 44.79 1.43 2 0 1000.00 -999 ? >LEU~E 15 20.61 40.06 2.57 19.61 40.27 4.45 20.11 40.17 3.51 3 0 1000.00 -999 ? >TYR^E 16 20.26 38.38 -1.95 18.05 37.08 -0.88 19.16 37.73 -1.42 3 0 1000.00 -999 ? >ILE^E 17 26.91 38.87 -3.27 28.22 38.30 -3.40 27.56 38.58 -3.33 3 0 1000.00 -999 ? >ASP~E 18 25.18 40.28 -8.58 24.65 39.72 -10.55 24.91 40.00 -9.57 2 0 1000.00 -999 ? >HIS~E 19 25.20 35.23 -11.21 24.69 35.82 -13.15 24.94 35.52 -12.18 3 0 1000.00 -999 ? >HIS~E 20 27.20 38.74 -13.78 26.20 38.02 -15.48 26.70 38.38 -14.63 3 0 1000.00 -999 ? >THR~E 21 30.61 39.56 -8.92 30.21 41.25 -7.68 30.41 40.40 -8.30 2 0 1000.00 -999 ? >VAL~E 22 31.32 36.07 -7.55 30.21 34.72 -6.22 30.76 35.39 -6.89 3 0 1000.00 -999 ? >LEU~E 23 31.26 34.70 -12.16 31.53 33.32 -13.80 31.40 34.01 -12.98 3 0 1000.00 -999 ? >ALA~E 24 34.53 37.58 -11.75 34.07 39.03 -11.81 34.30 38.31 -11.78 2 0 1000.00 -999 ? >ASP~E 25 35.60 36.97 -7.08 36.97 36.76 -5.46 36.29 36.86 -6.27 2 0 1000.00 -999 ? >MET?E 26 36.69 33.10 -8.82 33.66 30.15 -9.25 35.18 31.63 -9.04 2 0 1000.00 -999 ? >GLN~E 27 35.75 33.16 -13.81 34.59 33.70 -15.52 35.17 33.43 -14.66 2 0 1000.00 -999 ? >ASN~E 28 40.48 37.25 -11.36 39.35 38.00 -13.00 39.92 37.62 -12.18 2 0 1000.00 -999 ? >ALA~E 29 41.64 33.79 -8.29 42.90 33.01 -8.65 42.27 33.40 -8.47 2 0 1000.00 -999 ? >THR~E 30 41.25 37.09 -6.41 40.47 39.03 -7.01 40.86 38.06 -6.71 2 0 1000.00 -999 ? >GLY~E 31 40.11 35.16 -3.35 39.89 35.89 -3.57 40.00 35.52 -3.46 1 0 1000.00 -999 ? >LYS~E 32 37.77 37.88 -2.16 35.14 42.36 -1.43 36.45 40.12 -1.79 2 0 1000.00 -999 ? >TYR^E 33 33.32 37.19 -2.85 32.88 39.89 -3.45 33.10 38.54 -3.15 3 0 1000.00 -999 ? >VAL^E 34 34.56 31.94 -0.24 35.94 31.24 1.31 35.25 31.59 0.53 3 0 1000.00 -999 ? >VAL^E 35 31.43 30.07 -1.39 30.57 29.99 -3.38 31.00 30.03 -2.39 3 0 1000.00 -999 ? >LEU^E 36 29.43 28.62 2.68 30.91 28.78 4.25 30.17 28.70 3.46 3 0 1000.00 -999 ? >ASP^E 37 27.56 24.08 -0.52 25.95 22.90 -1.24 26.76 23.49 -0.88 2 0 1000.00 -999 ? >VAL~E 38 24.71 25.45 3.15 24.29 27.57 3.44 24.50 26.51 3.29 3 0 1000.00 -999 ? >ARG~E 39 22.02 22.28 -1.92 23.92 20.90 -3.84 22.97 21.59 -2.88 2 0 1000.00 -999 ? >ASN~E 40 20.26 20.22 5.38 20.30 21.87 6.72 20.28 21.05 6.05 2 0 1000.00 -999 ? >ALA~E 41 20.90 17.06 2.33 20.30 17.15 0.94 20.60 17.11 1.63 2 0 1000.00 -999 ? >PRO~E 42 22.02 12.92 2.13 23.12 14.84 2.31 22.57 13.88 2.22 3 0 1000.00 -999 ? >ALA~E 43 26.47 14.47 -0.41 27.94 14.15 -0.14 27.21 14.31 -0.28 2 0 1000.00 -999 ? >GLN~E 44 23.32 10.45 -0.02 21.81 8.96 0.23 22.56 9.70 0.10 2 0 1000.00 -999 ? >VAL~E 45 21.74 13.71 -2.64 19.89 13.74 -1.48 20.82 13.73 -2.06 3 0 1000.00 -999 ? >LYS~E 46 23.36 17.01 -3.61 27.10 19.69 0.31 25.23 18.35 -1.65 2 0 1000.00 -999 ? >LYS~E 47 25.18 15.29 -6.52 20.89 12.29 -8.09 23.03 13.79 -7.31 2 0 1000.00 -999 ? >ASP^E 48 27.05 18.75 -9.02 25.23 19.70 -9.53 26.14 19.22 -9.28 2 0 1000.00 -999 ? >GLN^E 49 30.40 21.12 -4.66 31.49 21.46 -2.84 30.94 21.29 -3.75 2 0 1000.00 -999 ? >ILE^E 50 29.08 26.51 -6.50 28.48 27.87 -6.72 28.78 27.19 -6.61 3 0 1000.00 -999 ? >LYS~E 51 33.18 24.87 -8.12 37.80 24.31 -10.76 35.49 24.59 -9.44 2 0 1000.00 -999 ? >GLY~E 52 35.35 25.76 -5.14 34.59 25.48 -5.02 34.97 25.62 -5.08 1 0 1000.00 -999 ? >ALA~E 53 32.46 25.58 -2.69 31.03 25.20 -3.05 31.74 25.39 -2.87 2 0 1000.00 -999 ? >ILE^E 54 33.50 25.22 1.92 34.62 25.50 2.86 34.06 25.36 2.39 3 0 1000.00 -999 ? >ALA^E 55 30.18 22.00 2.41 30.17 20.48 2.39 30.18 21.24 2.40 2 0 1000.00 -999 ? >MET?E 56 28.88 23.81 5.48 30.52 25.26 8.12 29.70 24.53 6.80 2 0 1000.00 -999 ? >PRO~E 57 26.15 20.46 5.95 26.07 22.66 6.16 26.11 21.56 6.05 3 0 1000.00 -999 ? >ALA~E 58 23.19 25.39 7.74 21.91 25.90 7.08 22.55 25.64 7.41 2 0 1000.00 -999 ? >LYS~E 59 22.25 23.09 10.62 23.84 18.06 9.46 23.04 20.58 10.04 2 0 1000.00 -999 ? >ASP~E 60 26.68 21.69 11.05 25.53 19.93 11.30 26.10 20.81 11.18 2 0 1000.00 -999 ? >LEU~E 61 26.59 27.27 9.59 27.59 28.86 8.55 27.09 28.06 9.07 3 0 1000.00 -999 ? >ALA~E 62 26.73 27.75 14.09 25.37 27.85 14.81 26.05 27.80 14.45 2 0 1000.00 -999 ? >THR~E 63 29.09 25.01 15.41 28.63 23.05 16.18 28.86 24.03 15.79 2 0 1000.00 -999 ? >ARG~E 64 30.94 21.73 10.44 32.17 21.29 7.67 31.55 21.51 9.05 2 0 1000.00 -999 ? >ILE~E 65 31.00 29.57 13.04 30.68 30.77 13.66 30.84 30.17 13.35 3 0 1000.00 -999 ? >GLY~E 66 35.36 28.31 14.12 35.17 28.03 13.40 35.27 28.17 13.76 1 0 1000.00 -999 ? >GLU~E 67 35.70 24.52 11.32 34.99 22.71 10.45 35.35 23.62 10.89 2 0 1000.00 -999 ? >LEU~E 68 34.77 30.50 8.75 33.19 29.48 7.67 33.98 29.99 8.21 3 0 1000.00 -999 ? >ASP~E 69 39.60 32.77 7.46 40.74 34.52 7.33 40.17 33.65 7.39 2 0 1000.00 -999 ? >PRO~E 70 38.22 35.93 11.56 37.31 35.54 9.58 37.76 35.74 10.57 3 0 1000.00 -999 ? >ALA~E 71 38.95 38.08 7.00 40.47 37.94 7.01 39.71 38.01 7.00 2 0 1000.00 -999 ? >LYS~E 72 37.28 36.68 3.88 41.24 34.23 1.10 39.26 35.46 2.49 2 0 1000.00 -999 ? >THR^E 73 33.78 37.47 2.69 32.95 39.24 1.78 33.36 38.35 2.24 2 0 1000.00 -999 ? >TYR^E 74 32.42 33.21 4.60 34.84 32.15 5.46 33.63 32.68 5.03 3 0 1000.00 -999 ? >VAL^E 75 28.80 33.70 0.07 28.85 34.49 -1.96 28.82 34.10 -0.95 3 0 1000.00 -999 ? >VAL^E 76 26.20 31.12 1.17 25.59 31.85 3.10 25.90 31.49 2.14 3 0 1000.00 -999 ? >TYR^E 77 25.03 28.01 -2.72 26.55 25.77 -3.45 25.79 26.89 -3.09 3 0 1000.00 -999 ? >ASP~E 78 19.77 26.86 0.08 18.72 25.07 0.54 19.25 25.97 0.31 2 0 1000.00 -999 ? >TRP~E 79 18.66 21.83 -1.64 20.04 19.49 -4.46 19.35 20.66 -3.05 3 0 1000.00 -999 ? >THR~E 80 16.85 27.65 -4.45 14.70 27.74 -4.31 15.77 27.70 -4.38 2 0 1000.00 -999 ? >GLY~E 81 16.42 31.25 -3.34 15.80 30.71 -3.28 16.11 30.98 -3.31 1 0 1000.00 -999 ? >GLY~E 82 12.92 30.68 -1.99 13.51 30.23 -1.73 13.21 30.46 -1.86 1 0 1000.00 -999 ? >THR~E 83 13.89 29.27 1.40 15.19 27.74 0.59 14.54 28.51 0.99 2 0 1000.00 -999 ? >THR~E 84 15.00 30.60 4.80 13.30 30.20 6.12 14.15 30.40 5.46 2 0 1000.00 -999 ? >LEU~E 85 18.53 27.30 4.13 18.36 25.24 4.73 18.45 26.27 4.43 3 0 1000.00 -999 ? >GLY~E 86 20.42 31.22 3.38 19.88 31.27 4.04 20.15 31.24 3.71 1 0 1000.00 -999 ? >LYS~E 87 19.12 33.79 5.84 16.31 36.99 2.70 17.71 35.39 4.27 2 0 1000.00 -999 ? >THR~E 88 19.45 31.42 8.76 18.60 29.57 9.37 19.03 30.50 9.06 2 0 1000.00 -999 ? >ALA~E 89 23.13 30.92 7.93 23.59 30.24 6.66 23.36 30.58 7.29 2 0 1000.00 -999 ? >LEU~E 90 22.78 35.29 5.99 23.55 36.74 4.60 23.17 36.02 5.29 3 0 1000.00 -999 ? >LEU~E 91 20.86 35.40 11.09 19.87 36.66 12.58 20.36 36.03 11.84 3 0 1000.00 -999 ? >VAL~E 92 24.76 33.49 12.24 24.85 31.39 12.76 24.81 32.44 12.50 3 0 1000.00 -999 ? >LEU~E 93 27.89 34.48 8.66 28.79 32.79 7.66 28.34 33.63 8.16 3 0 1000.00 -999 ? >LEU~E 94 25.57 39.09 9.81 25.50 39.72 7.74 25.54 39.41 8.77 3 0 1000.00 -999 ? >SER~E 95 26.20 38.09 14.16 23.86 37.54 14.36 25.03 37.81 14.26 2 0 1000.00 -999 ? >ALA~E 96 29.62 36.47 14.64 29.97 35.05 14.19 29.80 35.76 14.42 2 0 1000.00 -999 ? >GLY~E 97 31.10 39.56 12.97 30.92 38.92 12.53 31.01 39.24 12.75 1 0 1000.00 -999 ? >PHE~E 98 32.26 35.48 9.86 34.00 33.57 10.87 33.13 34.53 10.37 3 0 1000.00 -999 ? >GLU^E 99 31.80 41.49 4.63 31.02 43.25 5.51 31.41 42.37 5.07 2 0 1000.00 -999 ? >ALA^E 100 28.69 37.49 4.30 28.26 36.31 5.16 28.47 36.90 4.73 2 0 1000.00 -999 ? >TYR^E 101 27.20 39.49 0.62 28.36 41.95 1.20 27.78 40.72 0.91 3 0 1000.00 -999 ? >GLU^E 102 21.46 33.76 0.19 19.38 33.73 0.47 20.42 33.75 0.33 2 0 1000.00 -999 ? >LEU^E 103 25.01 32.80 -4.20 25.91 32.39 -6.14 25.46 32.59 -5.17 3 0 1000.00 -999 ? >ALA~E 104 21.53 35.70 -5.67 21.59 37.08 -6.33 21.56 36.39 -6.00 2 0 1000.00 -999 ? >GLY~E 105 19.90 33.02 -7.81 20.11 32.83 -7.03 20.00 32.93 -7.42 1 0 1000.00 -999 ? >ALA~E 106 21.15 30.24 -5.56 19.88 29.72 -4.92 20.51 29.98 -5.24 2 0 1000.00 -999 ? >LEU~E 107 22.33 25.55 -6.39 23.52 23.77 -6.85 22.93 24.66 -6.62 3 0 1000.00 -999 ? >GLU~E 108 17.13 25.52 -9.02 15.11 25.71 -9.65 16.12 25.62 -9.34 2 0 1000.00 -999 ? >GLY~E 109 20.30 30.04 -10.79 20.79 29.39 -10.68 20.54 29.72 -10.73 1 0 1000.00 -999 ? >TRP~E 110 27.00 27.67 -10.28 28.87 31.09 -9.76 27.94 29.38 -10.02 3 0 1000.00 -999 ? >LYS~E 111 23.38 25.85 -12.92 23.08 20.23 -11.05 23.23 23.04 -11.98 2 0 1000.00 -999 ? >GLY~E 112 20.81 27.61 -15.11 21.62 27.83 -14.99 21.22 27.72 -15.05 1 0 1000.00 -999 ? >MET?E 113 23.39 30.21 -16.12 22.36 33.31 -16.47 22.88 31.76 -16.29 2 0 1000.00 -999 ? >GLN~E 114 24.52 27.16 -19.34 23.89 25.14 -19.17 24.21 26.15 -19.25 2 0 1000.00 -999 ? >LEU~E 115 28.00 29.64 -13.48 27.51 31.60 -14.23 27.75 30.62 -13.86 3 0 1000.00 -999 ? >PRO~E 116 32.19 28.42 -13.07 30.64 26.88 -13.52 31.41 27.65 -13.29 3 0 1000.00 -999 ? >VAL^E 117 29.97 23.44 -11.03 28.12 22.33 -11.21 29.04 22.89 -11.12 3 0 1000.00 -999 ? >GLU^E 118 33.48 21.07 -7.91 35.30 22.04 -7.39 34.39 21.56 -7.65 2 0 1000.00 -999 ? >THR^E 119 30.75 16.94 -9.12 31.10 15.22 -10.37 30.92 16.08 -9.74 2 0 1000.00 -999 ? >LEU~E 120 31.19 16.08 -4.45 29.42 17.20 -3.93 30.30 16.64 -4.19 3 0 1000.00 -999 ? >MET?F 1 8.97 42.53 19.07 9.23 39.84 22.50 9.10 41.19 20.79 2 0 1000.00 -999 ? >ASN~F 2 4.41 41.15 18.56 2.71 40.56 17.43 3.56 40.85 18.00 2 0 1000.00 -999 ? >ASP~F 3 5.15 46.43 17.57 3.77 46.26 19.18 4.46 46.35 18.37 2 0 1000.00 -999 ? >LYS~F 4 8.18 44.72 14.45 11.89 42.97 16.28 10.03 43.85 15.37 2 0 1000.00 -999 ? >LYS~F 5 6.72 41.74 12.60 5.75 36.33 15.01 6.23 39.04 13.81 2 0 1000.00 -999 ? >ILE~F 6 2.61 44.32 12.83 1.31 44.36 13.47 1.96 44.34 13.15 3 0 1000.00 -999 ? >GLU~F 7 7.44 48.57 10.86 6.15 50.23 10.61 6.80 49.40 10.74 2 0 1000.00 -999 ? >LEU~F 8 8.64 43.22 8.70 10.11 42.24 7.42 9.37 42.73 8.06 3 0 1000.00 -999 ? >LEU~F 9 3.78 41.77 7.77 3.80 39.70 8.26 3.79 40.73 8.01 3 0 1000.00 -999 ? >THR~F 10 2.96 45.80 6.20 1.90 47.25 7.36 2.43 46.52 6.78 2 0 1000.00 -999 ? >THR~F 11 5.89 47.21 4.25 7.51 48.57 4.74 6.70 47.89 4.50 2 0 1000.00 -999 ? >TYR~F 12 7.83 41.56 2.54 8.95 39.53 0.99 8.39 40.55 1.77 3 0 1000.00 -999 ? >LEU~F 13 2.23 42.97 2.22 1.70 41.00 2.95 1.96 41.98 2.58 3 0 1000.00 -999 ? >SER~F 14 3.17 46.85 -0.04 4.84 48.47 0.74 4.01 47.66 0.35 2 0 1000.00 -999 ? >LEU~F 15 7.12 45.09 -2.24 8.84 45.97 -1.25 7.98 45.53 -1.75 3 0 1000.00 -999 ? >TYR^F 16 4.60 41.07 -3.28 7.07 39.79 -3.06 5.84 40.43 -3.17 3 0 1000.00 -999 ? >ILE^F 17 0.07 44.11 -7.18 -0.43 44.55 -8.48 -0.18 44.33 -7.83 3 0 1000.00 -999 ? >ASP~F 18 -3.93 40.37 -5.57 -4.85 38.44 -5.53 -4.39 39.41 -5.55 2 0 1000.00 -999 ? >HIS~F 19 -3.63 36.12 -9.31 -4.91 34.81 -8.29 -4.27 35.46 -8.80 3 0 1000.00 -999 ? >HIS~F 20 -8.96 39.27 -8.11 -11.01 39.64 -8.40 -9.98 39.45 -8.25 3 0 1000.00 -999 ? >THR~F 21 -6.20 42.90 -9.60 -5.82 44.34 -8.07 -6.01 43.62 -8.83 2 0 1000.00 -999 ? >VAL~F 22 -3.89 42.57 -12.62 -1.74 42.29 -12.87 -2.81 42.43 -12.75 3 0 1000.00 -999 ? >LEU~F 23 -6.59 38.72 -13.91 -7.58 37.22 -15.13 -7.09 37.97 -14.52 3 0 1000.00 -999 ? >ALA~F 24 -9.20 42.27 -13.83 -9.61 42.85 -12.49 -9.40 42.56 -13.16 2 0 1000.00 -999 ? >ASP~F 25 -6.32 46.05 -14.77 -5.49 47.44 -16.11 -5.90 46.74 -15.44 2 0 1000.00 -999 ? >MET?F 26 -6.49 43.04 -18.19 -3.73 39.85 -18.98 -5.11 41.44 -18.58 2 0 1000.00 -999 ? >GLN~F 27 -11.02 40.73 -16.93 -11.58 38.99 -15.83 -11.30 39.86 -16.38 2 0 1000.00 -999 ? >ASN~F 28 -11.37 45.70 -17.22 -13.00 44.97 -16.05 -12.19 45.34 -16.63 2 0 1000.00 -999 ? >ALA~F 29 -8.73 46.60 -20.99 -9.40 46.59 -22.36 -9.06 46.59 -21.68 2 0 1000.00 -999 ? >THR~F 30 -8.56 49.51 -18.53 -9.56 49.68 -16.63 -9.06 49.60 -17.58 2 0 1000.00 -999 ? >GLY~F 31 -4.82 49.55 -19.27 -5.18 49.78 -18.62 -5.00 49.67 -18.94 1 0 1000.00 -999 ? >LYS~F 32 -3.75 50.88 -15.87 -8.69 50.51 -12.73 -6.22 50.69 -14.30 2 0 1000.00 -999 ? >TYR^F 33 -1.86 47.40 -13.48 -3.10 47.90 -11.02 -2.48 47.65 -12.25 3 0 1000.00 -999 ? >VAL^F 34 2.02 47.19 -17.79 2.93 48.69 -19.03 2.47 47.94 -18.41 3 0 1000.00 -999 ? >VAL^F 35 3.20 43.68 -17.12 2.20 41.82 -16.72 2.70 42.75 -16.92 3 0 1000.00 -999 ? >LEU^F 36 7.87 44.40 -16.76 7.91 46.50 -17.26 7.89 45.45 -17.01 3 0 1000.00 -999 ? >ASP^F 37 8.35 38.95 -18.87 9.08 36.99 -18.60 8.72 37.97 -18.74 2 0 1000.00 -999 ? >VAL~F 38 11.83 40.34 -15.77 11.29 41.39 -13.90 11.56 40.87 -14.83 3 0 1000.00 -999 ? >ARG~F 39 10.59 33.87 -16.41 8.91 32.70 -18.67 9.75 33.29 -17.54 2 0 1000.00 -999 ? >ASN~F 40 18.00 36.83 -16.06 18.20 38.81 -15.29 18.10 37.82 -15.67 2 0 1000.00 -999 ? >ALA~F 41 16.59 33.42 -19.03 15.40 32.46 -18.98 16.00 32.94 -19.01 2 0 1000.00 -999 ? >PRO~F 42 18.01 31.39 -22.56 17.57 33.49 -22.03 17.79 32.44 -22.29 3 0 1000.00 -999 ? >ALA~F 43 14.34 33.22 -24.51 14.59 34.00 -25.79 14.47 33.61 -25.15 2 0 1000.00 -999 ? >GLN~F 44 14.93 27.55 -27.02 13.47 27.77 -28.58 14.20 27.66 -27.80 2 0 1000.00 -999 ? >VAL~F 45 14.15 28.74 -21.90 15.77 28.59 -20.43 14.96 28.66 -21.16 3 0 1000.00 -999 ? >LYS~F 46 11.11 30.89 -21.04 11.55 36.73 -21.58 11.33 33.81 -21.31 2 0 1000.00 -999 ? >LYS^F 47 8.96 29.90 -24.04 10.48 24.79 -24.69 9.72 27.34 -24.37 2 0 1000.00 -999 ? >ASP^F 48 5.13 30.08 -21.10 3.32 29.11 -21.61 4.22 29.60 -21.35 2 0 1000.00 -999 ? >GLN^F 49 5.28 36.70 -21.86 6.28 37.90 -23.30 5.78 37.30 -22.58 2 0 1000.00 -999 ? >ILE^F 50 1.75 37.01 -18.23 1.24 37.31 -16.86 1.50 37.16 -17.55 3 0 1000.00 -999 ? >LYS~F 51 -0.48 37.52 -22.29 -2.69 36.11 -26.47 -1.58 36.82 -24.38 2 0 1000.00 -999 ? >GLY~F 52 0.50 41.07 -23.22 1.02 40.59 -22.85 0.76 40.83 -23.04 1 0 1000.00 -999 ? >ALA~F 53 3.69 40.96 -21.17 4.22 39.74 -20.44 3.95 40.35 -20.80 2 0 1000.00 -999 ? >ILE^F 54 6.79 44.35 -22.03 6.76 45.69 -22.60 6.77 45.02 -22.31 3 0 1000.00 -999 ? >ALA^F 55 10.09 40.85 -21.82 10.64 39.79 -22.77 10.36 40.32 -22.29 2 0 1000.00 -999 ? >MET?F 56 12.48 43.07 -19.85 12.65 47.12 -19.60 12.57 45.09 -19.73 2 0 1000.00 -999 ? >PRO~F 57 15.83 40.42 -20.11 14.82 41.51 -18.46 15.32 40.96 -19.29 3 0 1000.00 -999 ? >ALA~F 58 15.98 42.65 -14.52 15.91 41.86 -13.22 15.94 42.25 -13.87 2 0 1000.00 -999 ? >LYS~F 59 19.59 43.01 -15.69 19.34 38.95 -19.53 19.46 40.98 -17.61 2 0 1000.00 -999 ? >ASP~F 60 18.57 44.63 -20.08 19.88 43.03 -20.48 19.22 43.83 -20.28 2 0 1000.00 -999 ? >LEU~F 61 14.92 46.33 -15.98 13.15 46.98 -14.94 14.03 46.66 -15.46 3 0 1000.00 -999 ? >ALA~F 62 17.90 49.63 -15.36 19.05 49.38 -14.40 18.48 49.50 -14.88 2 0 1000.00 -999 ? >THR~F 63 19.34 50.55 -18.77 20.45 49.17 -20.03 19.90 49.86 -19.40 2 0 1000.00 -999 ? >ARG~F 64 16.54 47.10 -23.18 13.95 45.85 -24.17 15.24 46.48 -23.68 2 0 1000.00 -999 ? >ILE~F 65 14.49 52.41 -17.08 14.43 53.28 -15.94 14.46 52.84 -16.51 3 0 1000.00 -999 ? >GLY~F 66 13.89 54.81 -21.11 13.53 54.04 -21.21 13.71 54.43 -21.16 1 0 1000.00 -999 ? >GLU~F 67 12.85 50.99 -24.09 13.24 48.92 -24.34 13.05 49.96 -24.22 2 0 1000.00 -999 ? >LEU~F 68 8.97 52.41 -18.81 9.18 50.26 -18.49 9.07 51.34 -18.65 3 0 1000.00 -999 ? >ASP~F 69 4.73 55.67 -20.20 3.60 57.46 -20.05 4.16 56.56 -20.12 2 0 1000.00 -999 ? >PRO~F 70 8.15 58.65 -17.24 6.44 57.31 -16.81 7.30 57.98 -17.02 3 0 1000.00 -999 ? >ALA~F 71 2.64 57.61 -15.96 1.86 58.29 -17.08 2.25 57.95 -16.52 2 0 1000.00 -999 ? >LYS~F 72 1.51 54.00 -15.99 -1.76 51.79 -20.78 -0.12 52.90 -18.39 2 0 1000.00 -999 ? >THR^F 73 1.87 51.58 -13.07 0.74 51.44 -11.27 1.30 51.51 -12.17 2 0 1000.00 -999 ? >TYR^F 74 5.74 49.85 -15.35 5.74 51.44 -17.67 5.74 50.64 -16.51 3 0 1000.00 -999 ? >VAL^F 75 4.01 45.05 -12.52 2.02 44.40 -11.95 3.02 44.72 -12.24 3 0 1000.00 -999 ? >VAL^F 76 7.14 42.88 -12.76 8.63 44.04 -11.69 7.88 43.46 -12.22 3 0 1000.00 -999 ? >TYR^F 77 5.97 38.06 -14.33 5.90 37.24 -17.00 5.93 37.65 -15.66 3 0 1000.00 -999 ? >ASP~F 78 10.89 36.34 -11.17 12.70 35.39 -11.68 11.80 35.86 -11.42 2 0 1000.00 -999 ? >TRP~F 79 12.59 32.47 -14.03 11.68 29.76 -16.73 12.13 31.12 -15.38 3 0 1000.00 -999 ? >THR~F 80 8.49 31.79 -8.83 9.82 30.13 -8.47 9.16 30.96 -8.65 2 0 1000.00 -999 ? >GLY~F 81 9.26 34.91 -6.81 9.75 34.24 -6.75 9.50 34.57 -6.78 1 0 1000.00 -999 ? >GLY~F 82 11.96 33.17 -4.85 12.14 33.70 -5.48 12.05 33.43 -5.16 1 0 1000.00 -999 ? >THR~F 83 14.62 35.32 -6.51 15.60 34.73 -8.35 15.11 35.02 -7.43 2 0 1000.00 -999 ? >THR~F 84 15.60 38.96 -6.02 17.53 39.01 -4.97 16.57 38.98 -5.50 2 0 1000.00 -999 ? >LEU~F 85 14.38 38.81 -10.78 15.83 37.60 -11.86 15.10 38.21 -11.32 3 0 1000.00 -999 ? >GLY~F 86 11.40 41.36 -8.77 12.13 41.49 -8.43 11.76 41.43 -8.60 1 0 1000.00 -999 ? >LYS~F 87 12.72 43.34 -5.81 10.83 39.81 -2.46 11.77 41.57 -4.14 2 0 1000.00 -999 ? >THR~F 88 15.81 44.47 -7.78 17.71 43.59 -8.37 16.76 44.03 -8.08 2 0 1000.00 -999 ? >ALA~F 89 13.69 45.72 -10.67 12.82 44.85 -11.56 13.25 45.29 -11.12 2 0 1000.00 -999 ? >LEU~F 90 10.79 46.69 -6.92 8.74 46.04 -7.04 9.76 46.37 -6.98 3 0 1000.00 -999 ? >LEU~F 91 15.82 48.72 -6.07 17.23 49.76 -4.74 16.53 49.24 -5.41 3 0 1000.00 -999 ? >VAL~F 92 15.28 50.50 -10.07 16.32 49.61 -11.79 15.80 50.06 -10.93 3 0 1000.00 -999 ? >LEU~F 93 10.54 50.62 -11.15 10.06 49.71 -13.04 10.30 50.16 -12.09 3 0 1000.00 -999 ? >LEU~F 94 10.45 52.21 -6.16 8.59 51.26 -5.55 9.52 51.74 -5.86 3 0 1000.00 -999 ? >SER~F 95 13.81 55.08 -7.55 15.50 53.63 -6.63 14.65 54.36 -7.09 2 0 1000.00 -999 ? >ALA~F 96 13.21 56.58 -10.98 13.34 55.76 -12.26 13.28 56.17 -11.62 2 0 1000.00 -999 ? >GLY~F 97 9.72 57.59 -9.85 9.80 56.81 -10.07 9.76 57.20 -9.96 1 0 1000.00 -999 ? >PHE~F 98 8.95 54.38 -13.76 10.10 55.44 -16.05 9.53 54.91 -14.90 3 0 1000.00 -999 ? >GLU^F 99 2.97 53.39 -7.99 0.86 53.33 -8.10 1.91 53.36 -8.04 2 0 1000.00 -999 ? >ALA^F 100 5.43 49.58 -9.45 6.75 49.26 -10.13 6.09 49.42 -9.79 2 0 1000.00 -999 ? >TYR^F 101 2.56 47.47 -6.94 1.44 49.79 -5.89 2.00 48.63 -6.42 3 0 1000.00 -999 ? >GLU^F 102 7.17 40.63 -7.80 8.86 39.79 -6.84 8.01 40.21 -7.32 2 0 1000.00 -999 ? >LEU^F 103 3.04 39.52 -10.81 1.24 38.61 -11.61 2.14 39.07 -11.21 3 0 1000.00 -999 ? >ALA~F 104 2.18 37.88 -6.47 0.98 38.13 -5.55 1.58 38.01 -6.01 2 0 1000.00 -999 ? >GLY~F 105 2.84 34.22 -7.16 3.23 34.82 -7.54 3.03 34.52 -7.35 1 0 1000.00 -999 ? >ALA~F 106 4.88 35.23 -10.20 6.27 34.65 -9.98 5.57 34.94 -10.09 2 0 1000.00 -999 ? >LEU~F 107 5.43 33.21 -14.55 4.61 32.13 -16.24 5.02 32.67 -15.40 3 0 1000.00 -999 ? >GLU~F 108 5.28 28.08 -10.20 5.72 27.55 -8.20 5.50 27.82 -9.20 2 0 1000.00 -999 ? >GLY~F 109 1.02 31.03 -9.75 1.18 31.18 -10.53 1.10 31.11 -10.14 1 0 1000.00 -999 ? >TRP~F 110 -0.61 33.92 -15.95 -2.24 37.39 -15.08 -1.42 35.66 -15.52 3 0 1000.00 -999 ? >LYS~F 111 -0.27 29.50 -14.71 2.68 26.69 -17.26 1.20 28.10 -15.98 2 0 1000.00 -999 ? >GLY~F 112 -1.62 27.69 -11.66 -2.00 28.26 -12.12 -1.81 27.97 -11.89 1 0 1000.00 -999 ? >MET?F 113 -4.89 29.58 -12.10 -5.94 30.11 -8.86 -5.42 29.85 -10.48 2 0 1000.00 -999 ? >GLN~F 114 -5.32 26.30 -15.50 -6.91 25.06 -14.78 -6.12 25.68 -15.14 2 0 1000.00 -999 ? >LEU~F 115 -4.24 33.48 -15.93 -5.20 33.85 -14.01 -4.72 33.66 -14.97 3 0 1000.00 -999 ? >PRO~F 116 -4.95 35.73 -19.61 -4.16 33.67 -19.73 -4.56 34.70 -19.67 3 0 1000.00 -999 ? >VAL^F 117 -0.32 33.17 -21.57 0.08 31.68 -20.03 -0.12 32.42 -20.80 3 0 1000.00 -999 ? >GLU^F 118 1.67 35.67 -24.87 1.34 37.49 -25.86 1.50 36.58 -25.37 2 0 1000.00 -999 ? >THR^F 119 4.66 31.79 -26.44 3.82 30.02 -27.36 4.24 30.90 -26.90 2 0 1000.00 -999 ? >LEU^F 120 7.15 35.34 -27.42 8.08 36.71 -28.83 7.62 36.03 -28.13 3 0 1000.00 -999 ?