REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-JUN-09 3I3U COMPND UNCHARACTERIZED 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 GENE: LP_1913; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 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 26 8 HET MSE A 56 8 HET MSE B 26 8 HET MSE B 56 8 HET MSE C 26 8 HET MSE C 56 8 HET MSE D 26 8 HET MSE D 56 8 HET MSE E 26 8 HET MSE E 56 8 HET MSE F 26 8 HET MSE F 56 8 >ASN~A 2 35.85 -40.07 26.37 35.06 -42.04 26.56 35.45 -41.06 26.47 2 0 1000.00 -999 ? >ASP~A 3 40.51 -36.70 24.88 41.49 -37.74 26.46 41.00 -37.22 25.67 2 0 1000.00 -999 ? >LYS~A 4 37.50 -35.86 21.62 40.62 -35.21 17.64 39.06 -35.53 19.63 2 0 1000.00 -999 ? >LYS~A 5 33.90 -36.23 22.85 31.68 -42.16 22.89 32.79 -39.20 22.87 2 0 1000.00 -999 ? >ILE~A 6 35.49 -34.75 27.15 35.82 -35.21 28.42 35.66 -34.98 27.79 3 0 1000.00 -999 ? >GLU~A 7 38.33 -30.53 22.86 38.19 -29.16 24.49 38.26 -29.85 23.68 2 0 1000.00 -999 ? >LEU~A 8 32.98 -32.35 20.55 31.58 -31.99 18.98 32.28 -32.17 19.76 3 0 1000.00 -999 ? >LEU~A 9 30.37 -32.56 25.19 29.29 -34.34 24.61 29.83 -33.45 24.90 3 0 1000.00 -999 ? >THR~A 10 32.65 -28.89 26.42 34.36 -29.08 27.73 33.51 -28.98 27.07 2 0 1000.00 -999 ? >THR~A 11 33.07 -26.38 23.59 34.62 -25.87 22.21 33.85 -26.12 22.90 2 0 1000.00 -999 ? >TYR~A 12 27.55 -28.21 21.19 25.12 -27.86 19.87 26.33 -28.03 20.53 3 0 1000.00 -999 ? >LEU~A 13 27.99 -27.20 26.83 26.67 -28.93 26.91 27.33 -28.07 26.87 3 0 1000.00 -999 ? >SER~A 14 30.17 -23.15 26.21 32.07 -22.98 24.71 31.12 -23.07 25.46 2 0 1000.00 -999 ? >LEU.A 15 27.80 -22.24 22.13 29.08 -22.83 20.51 28.44 -22.54 21.32 3 0 1000.00 -999 ? >TYR^A 16 23.67 -23.36 24.10 23.11 -24.61 21.67 23.39 -23.99 22.88 3 0 1000.00 -999 ? >ILE^A 17 23.64 -18.07 28.36 23.12 -16.76 28.57 23.38 -17.41 28.47 3 0 1000.00 -999 ? >ASP~A 18 21.06 -20.89 32.38 19.65 -22.17 33.25 20.35 -21.53 32.81 2 0 1000.00 -999 ? >HIS~A 19 15.67 -21.38 30.05 14.75 -22.64 31.45 15.21 -22.01 30.75 3 0 1000.00 -999 ? >HIS~A 20 16.59 -19.82 36.01 16.25 -19.19 37.99 16.42 -19.51 37.00 3 0 1000.00 -999 ? >THR~A 21 19.72 -16.88 33.93 21.80 -17.34 34.13 20.76 -17.11 34.03 2 0 1000.00 -999 ? >VAL~A 22 18.60 -14.38 31.29 18.74 -14.49 29.10 18.67 -14.44 30.19 3 0 1000.00 -999 ? >LEU~A 23 13.93 -14.73 32.77 12.67 -15.63 31.25 13.30 -15.18 32.01 3 0 1000.00 -999 ? >ALA~A 24 16.70 -13.61 36.14 17.79 -14.56 36.65 17.24 -14.08 36.40 2 0 1000.00 -999 ? >ASP~A 25 19.93 -10.71 34.02 20.83 -8.83 33.63 20.38 -9.77 33.82 2 0 1000.00 -999 ? >MET?A 26 15.74 -8.90 33.98 14.37 -10.44 30.16 15.05 -9.67 32.07 2 0 1000.00 -999 ? >TYR~A 33 22.76 -11.56 30.31 24.50 -13.25 31.71 23.63 -12.41 31.01 3 0 1000.00 -999 ? >VAL^A 34 20.84 -7.84 26.09 21.39 -5.81 25.43 21.11 -6.82 25.76 3 0 1000.00 -999 ? >VAL^A 35 18.73 -10.55 24.36 17.09 -11.88 25.09 17.91 -11.21 24.73 3 0 1000.00 -999 ? >LEU~A 36 20.01 -10.47 19.90 21.17 -8.69 19.66 20.59 -9.58 19.78 3 0 1000.00 -999 ? >ASP~A 37 14.17 -11.41 18.64 12.75 -12.73 17.72 13.46 -12.07 18.18 2 0 1000.00 -999 ? >VAL~A 38 17.63 -12.86 15.49 19.35 -13.87 16.29 18.49 -13.37 15.89 3 0 1000.00 -999 ? >ARG~A 39 12.36 -15.49 16.55 9.49 -16.43 17.10 10.93 -15.96 16.82 2 0 1000.00 -999 ? >ASN~A 40 15.11 -13.51 8.97 17.21 -13.68 9.33 16.16 -13.59 9.15 2 0 1000.00 -999 ? >ALA~A 41 10.69 -13.97 9.95 10.07 -15.27 10.46 10.38 -14.62 10.21 2 0 1000.00 -999 ? >LYS~A 51 9.59 -10.61 25.05 7.06 -7.31 27.14 8.32 -8.96 26.09 2 0 1000.00 -999 ? >GLY~A 52 11.12 -7.25 25.90 11.40 -7.89 25.44 11.26 -7.57 25.67 1 0 1000.00 -999 ? >ALA~A 53 14.13 -7.77 23.60 14.27 -9.20 23.07 14.20 -8.48 23.34 2 0 1000.00 -999 ? >ILE~A 54 16.96 -5.61 20.64 17.78 -4.49 20.90 17.37 -5.05 20.77 3 0 1000.00 -999 ? >ALA~A 55 14.89 -7.46 16.83 13.76 -6.94 15.94 14.33 -7.20 16.39 2 0 1000.00 -999 ? >MET?A 56 18.33 -8.22 15.52 20.99 -6.06 15.88 19.66 -7.14 15.70 2 0 1000.00 -999 ? >PRO~A 57 16.08 -8.95 11.91 17.84 -9.87 12.92 16.96 -9.41 12.42 3 0 1000.00 -999 ? >ALA~A 58 20.87 -12.47 11.33 20.88 -13.98 11.13 20.87 -13.22 11.23 2 0 1000.00 -999 ? >LYS~A 59 20.95 -11.24 7.73 15.84 -10.74 8.00 18.40 -10.99 7.87 2 0 1000.00 -999 ? >ASP~A 60 19.87 -6.93 9.31 18.64 -7.13 7.62 19.25 -7.03 8.47 2 0 1000.00 -999 ? >LEU~A 61 23.42 -9.73 12.97 24.22 -10.12 14.93 23.82 -9.93 13.95 3 0 1000.00 -999 ? >ALA~A 62 26.55 -7.61 10.62 27.07 -8.32 9.37 26.81 -7.96 9.99 2 0 1000.00 -999 ? >THR~A 63 25.35 -4.26 9.20 24.32 -3.83 7.37 24.84 -4.04 8.29 2 0 1000.00 -999 ? >ARG~A 64 20.12 -4.33 11.92 17.42 -4.48 13.35 18.77 -4.40 12.63 2 0 1000.00 -999 ? >ILE~A 65 28.19 -5.09 13.90 29.68 -5.11 13.84 28.93 -5.10 13.87 3 0 1000.00 -999 ? >GLY~A 66 27.61 -0.86 15.35 27.04 -1.37 15.64 27.32 -1.12 15.50 1 0 1000.00 -999 ? >GLU~A 67 22.69 -0.44 15.87 20.82 -1.31 15.36 21.76 -0.87 15.61 2 0 1000.00 -999 ? >LEU~A 68 26.72 -4.53 19.19 25.68 -6.19 18.26 26.20 -5.36 18.73 3 0 1000.00 -999 ? >ASP~A 69 26.83 -1.82 24.28 27.94 -0.73 25.71 27.38 -1.28 24.99 2 0 1000.00 -999 ? >PRO~A 70 31.70 -2.44 21.65 30.54 -3.36 23.31 31.12 -2.90 22.48 3 0 1000.00 -999 ? >ALA~A 71 30.43 -3.87 27.23 30.46 -2.50 27.92 30.45 -3.19 27.58 2 0 1000.00 -999 ? >LYS~A 72 27.20 -5.82 27.40 22.89 -1.42 26.03 25.04 -3.62 26.71 2 0 1000.00 -999 ? >THR~A 73 26.84 -9.60 27.13 27.63 -11.10 28.48 27.24 -10.35 27.80 2 0 1000.00 -999 ? >TYR^A 74 24.86 -8.59 22.69 24.83 -5.80 22.58 24.85 -7.19 22.64 3 0 1000.00 -999 ? >VAL^A 75 22.24 -13.56 24.12 21.46 -14.36 26.01 21.85 -13.96 25.06 3 0 1000.00 -999 ? >VAL^A 76 20.80 -14.69 20.77 22.56 -14.93 19.48 21.68 -14.81 20.12 3 0 1000.00 -999 ? >THR~A 83 18.74 -23.83 13.89 17.08 -22.45 13.72 17.91 -23.14 13.81 2 0 1000.00 -999 ? >THR~A 84 21.50 -22.34 11.79 21.38 -23.34 9.92 21.44 -22.84 10.86 2 0 1000.00 -999 ? >LEU~A 85 19.13 -18.04 12.06 18.24 -17.18 10.27 18.68 -17.61 11.16 3 0 1000.00 -999 ? >GLY~A 86 21.16 -18.68 15.95 21.67 -18.89 15.31 21.41 -18.79 15.63 1 0 1000.00 -999 ? >LYS~A 87 24.59 -20.13 15.27 23.26 -24.16 17.59 23.92 -22.15 16.43 2 0 1000.00 -999 ? >THR~A 88 25.40 -17.67 12.51 24.79 -17.58 10.43 25.09 -17.62 11.47 2 0 1000.00 -999 ? >ALA~A 89 24.47 -14.68 14.73 23.10 -14.43 15.34 23.79 -14.56 15.03 2 0 1000.00 -999 ? >LEU~A 90 26.46 -17.35 18.27 27.18 -17.71 20.29 26.82 -17.53 19.28 3 0 1000.00 -999 ? >LEU~A 91 29.53 -17.38 14.00 31.28 -17.97 12.88 30.41 -17.67 13.44 3 0 1000.00 -999 ? >VAL~A 92 29.09 -12.97 14.05 27.80 -11.77 12.73 28.44 -12.37 13.39 3 0 1000.00 -999 ? >LEU~A 93 27.94 -11.89 18.66 26.07 -10.74 18.72 27.00 -11.32 18.69 3 0 1000.00 -999 ? >LEU~A 94 32.01 -15.20 19.04 30.97 -16.30 20.63 31.49 -15.75 19.84 3 0 1000.00 -999 ? >SER~A 95 34.12 -12.97 15.66 33.58 -14.57 13.93 33.85 -13.77 14.79 2 0 1000.00 -999 ? >ALA~A 96 33.53 -9.29 16.15 32.15 -8.64 16.21 32.84 -8.96 16.18 2 0 1000.00 -999 ? >GLY~A 97 34.98 -9.70 19.62 34.15 -9.75 19.59 34.56 -9.73 19.61 1 0 1000.00 -999 ? >PHE~A 98 30.24 -7.90 20.47 30.01 -5.35 19.30 30.13 -6.63 19.89 3 0 1000.00 -999 ? >GLU~A 99 31.52 -12.98 26.83 31.52 -12.71 28.95 31.52 -12.84 27.89 2 0 1000.00 -999 ? >ALA^A 100 27.88 -13.67 23.33 27.55 -13.40 21.85 27.71 -13.53 22.59 2 0 1000.00 -999 ? >TYR^A 101 26.94 -17.01 26.36 29.39 -17.04 27.73 28.17 -17.03 27.05 3 0 1000.00 -999 ? >GLU^A 102 21.59 -19.77 20.75 21.82 -21.14 19.14 21.70 -20.45 19.95 2 0 1000.00 -999 ? >LEU^A 103 18.24 -18.20 24.39 16.59 -17.87 25.77 17.41 -18.03 25.08 3 0 1000.00 -999 ? >ALA~A 104 19.41 -22.65 25.65 20.31 -23.32 26.72 19.86 -22.98 26.18 2 0 1000.00 -999 ? >ASN~B 2 36.63 -30.84 3.40 36.69 -29.12 2.16 36.66 -29.98 2.78 2 0 1000.00 -999 ? >ASP~B 3 40.38 -33.43 7.51 41.56 -33.71 5.76 40.97 -33.57 6.63 2 0 1000.00 -999 ? >LYS~B 4 37.32 -30.65 9.59 40.03 -26.99 11.91 38.67 -28.82 10.75 2 0 1000.00 -999 ? >LYS~B 5 33.72 -31.42 8.63 31.65 -28.85 3.37 32.68 -30.14 6.00 2 0 1000.00 -999 ? >ILE~B 6 35.49 -35.82 7.73 35.89 -36.65 6.67 35.69 -36.24 7.20 3 0 1000.00 -999 ? >GLU~B 7 38.30 -34.64 13.50 38.87 -36.70 13.33 38.59 -35.67 13.41 2 0 1000.00 -999 ? >LEU~B 8 33.01 -31.42 13.03 31.84 -30.00 14.18 32.43 -30.71 13.60 3 0 1000.00 -999 ? >LEU~B 9 30.32 -35.35 10.69 29.33 -34.02 9.32 29.83 -34.69 10.01 3 0 1000.00 -999 ? >THR~B 10 32.63 -38.26 13.18 34.38 -39.33 12.47 33.51 -38.80 12.82 2 0 1000.00 -999 ? >THR~B 11 32.97 -37.03 16.76 34.58 -36.12 17.81 33.78 -36.58 17.29 2 0 1000.00 -999 ? >TYR~B 12 27.52 -33.99 16.38 25.10 -33.03 17.39 26.31 -33.51 16.89 3 0 1000.00 -999 ? >LEU~B 13 28.07 -39.43 14.35 26.82 -38.69 12.75 27.45 -39.06 13.55 3 0 1000.00 -999 ? >SER~B 14 30.09 -41.03 18.10 32.08 -39.81 18.57 31.09 -40.42 18.33 2 0 1000.00 -999 ? >LEU~B 15 28.03 -37.81 21.01 29.37 -36.19 21.44 28.70 -37.00 21.23 3 0 1000.00 -999 ? >TYR^B 16 23.70 -38.94 19.17 23.04 -36.24 19.42 23.37 -37.59 19.29 3 0 1000.00 -999 ? >ILE^B 17 23.55 -45.18 21.78 22.71 -45.86 22.78 23.13 -45.52 22.28 3 0 1000.00 -999 ? >ASP~B 18 21.99 -46.56 16.34 20.64 -46.52 14.74 21.31 -46.54 15.54 2 0 1000.00 -999 ? >HIS~B 19 16.57 -45.86 16.59 16.35 -46.01 14.50 16.46 -45.93 15.55 3 0 1000.00 -999 ? >HIS~B 20 18.18 -50.69 14.27 16.86 -51.79 13.08 17.52 -51.24 13.68 3 0 1000.00 -999 ? >THR~B 21 21.51 -50.67 18.90 23.48 -49.88 18.55 22.50 -50.28 18.73 2 0 1000.00 -999 ? >VAL~B 22 19.66 -50.15 22.18 19.37 -48.23 23.17 19.51 -49.19 22.67 3 0 1000.00 -999 ? >LEU~B 23 16.93 -52.02 18.71 16.79 -53.34 16.99 16.86 -52.68 17.85 3 0 1000.00 -999 ? >ALA~B 24 19.21 -55.37 20.70 20.54 -55.59 19.98 19.87 -55.48 20.34 2 0 1000.00 -999 ? >ASP~B 25 20.34 -53.70 24.97 20.73 -53.87 27.04 20.53 -53.78 26.01 2 0 1000.00 -999 ? >MET?B 26 15.67 -54.32 25.11 14.42 -50.71 23.13 15.05 -52.51 24.12 2 0 1000.00 -999 ? >LYS~B 32 24.38 -54.07 29.38 25.79 -55.29 24.64 25.08 -54.68 27.01 2 0 1000.00 -999 ? >TYR^B 33 22.86 -50.43 26.27 24.68 -50.44 24.15 23.77 -50.44 25.21 3 0 1000.00 -999 ? >VAL^B 34 21.03 -48.53 31.52 21.50 -48.84 33.64 21.27 -48.69 32.58 3 0 1000.00 -999 ? >VAL^B 35 18.86 -45.68 30.20 17.27 -45.63 28.67 18.07 -45.66 29.43 3 0 1000.00 -999 ? >LEU^B 36 20.14 -41.95 32.63 21.58 -43.00 33.81 20.86 -42.47 33.22 3 0 1000.00 -999 ? >ASP^B 37 14.46 -40.08 32.01 13.16 -38.53 31.31 13.81 -39.31 31.66 2 0 1000.00 -999 ? >VAL~B 38 17.52 -36.52 32.60 19.39 -36.75 31.54 18.46 -36.63 32.07 3 0 1000.00 -999 ? >ARG~B 39 11.99 -35.26 29.20 9.74 -37.33 28.75 10.86 -36.30 28.98 2 0 1000.00 -999 ? >ASN~B 40 12.67 -30.73 34.42 12.48 -30.24 32.33 12.58 -30.49 33.37 2 0 1000.00 -999 ? >ALA~B 41 10.17 -34.33 36.67 10.50 -34.89 38.06 10.34 -34.61 37.36 2 0 1000.00 -999 ? >ILE~B 50 11.16 -44.47 27.45 11.88 -44.39 26.17 11.52 -44.43 26.81 3 0 1000.00 -999 ? >LYS~B 51 10.01 -48.00 30.26 8.33 -52.71 32.62 9.17 -50.36 31.44 2 0 1000.00 -999 ? >GLY~B 52 13.28 -49.10 31.83 13.02 -48.34 31.76 13.15 -48.72 31.80 1 0 1000.00 -999 ? >ALA~B 53 14.29 -45.48 32.34 13.66 -44.40 31.47 13.98 -44.94 31.90 2 0 1000.00 -999 ? >ILE~B 54 17.21 -45.23 36.20 17.97 -46.10 37.06 17.59 -45.66 36.63 3 0 1000.00 -999 ? >ALA~B 55 14.76 -41.05 36.29 13.49 -40.64 37.02 14.13 -40.84 36.66 2 0 1000.00 -999 ? >MET?B 56 17.66 -38.82 37.19 21.24 -40.73 38.07 19.45 -39.78 37.63 2 0 1000.00 -999 ? >PRO~B 57 15.69 -34.98 37.36 17.54 -35.80 36.46 16.62 -35.39 36.91 3 0 1000.00 -999 ? >ALA~B 58 20.98 -33.72 34.87 21.14 -32.99 33.53 21.06 -33.35 34.20 2 0 1000.00 -999 ? >LYS~B 59 20.89 -31.04 37.59 15.69 -31.24 37.75 18.29 -31.14 37.67 2 0 1000.00 -999 ? >ASP~B 60 20.01 -34.49 40.62 18.62 -32.99 41.13 19.31 -33.74 40.87 2 0 1000.00 -999 ? >LEU~B 61 23.30 -36.52 36.50 23.88 -38.24 35.31 23.59 -37.38 35.91 3 0 1000.00 -999 ? >ALA~B 62 26.42 -35.16 39.45 26.85 -33.69 39.54 26.64 -34.42 39.49 2 0 1000.00 -999 ? >THR~B 63 25.57 -35.63 43.14 24.70 -34.11 44.40 25.14 -34.87 43.77 2 0 1000.00 -999 ? >ARG~B 64 20.21 -38.50 42.28 18.10 -40.26 40.93 19.16 -39.38 41.61 2 0 1000.00 -999 ? >ILE~B 65 28.09 -39.36 39.56 29.33 -39.12 38.99 28.71 -39.24 39.27 3 0 1000.00 -999 ? >GLY~B 66 27.94 -42.63 42.92 27.26 -42.71 42.47 27.60 -42.67 42.70 1 0 1000.00 -999 ? >GLU~B 67 23.06 -43.14 42.21 21.25 -42.31 42.93 22.16 -42.72 42.57 2 0 1000.00 -999 ? >LEU~B 68 26.29 -44.52 37.96 24.86 -43.05 37.39 25.58 -43.78 37.68 3 0 1000.00 -999 ? >ASP~B 69 26.71 -50.24 37.96 27.93 -51.89 37.52 27.32 -51.07 37.74 2 0 1000.00 -999 ? >PRO~B 70 31.77 -48.86 37.49 30.01 -48.41 36.21 30.89 -48.63 36.85 3 0 1000.00 -999 ? >ALA~B 71 30.16 -51.86 34.33 29.90 -53.12 35.16 30.03 -52.49 34.74 2 0 1000.00 -999 ? >LYS~B 72 26.98 -50.94 32.47 25.54 -56.02 33.07 26.26 -53.48 32.77 2 0 1000.00 -999 ? >THR^B 73 26.93 -48.50 29.55 27.62 -48.51 27.50 27.28 -48.50 28.52 2 0 1000.00 -999 ? >TYR^B 74 24.99 -45.07 32.62 24.93 -46.33 35.13 24.96 -45.70 33.87 3 0 1000.00 -999 ? >VAL^B 75 22.25 -44.00 27.59 21.50 -45.18 25.92 21.87 -44.59 26.76 3 0 1000.00 -999 ? >VAL^B 76 20.66 -40.60 28.23 22.36 -39.55 29.11 21.51 -40.08 28.67 3 0 1000.00 -999 ? >TYR^B 77 15.55 -40.36 26.55 13.25 -40.76 28.10 14.40 -40.56 27.32 3 0 1000.00 -999 ? >ASP~B 78 16.35 -34.60 25.67 15.65 -32.74 26.40 16.00 -33.67 26.03 2 0 1000.00 -999 ? >THR~B 83 19.13 -29.78 23.38 17.73 -31.10 24.40 18.43 -30.44 23.89 2 0 1000.00 -999 ? >THR~B 84 21.79 -29.17 26.03 21.42 -27.08 26.37 21.61 -28.13 26.20 2 0 1000.00 -999 ? >LEU~B 85 18.85 -31.47 29.20 18.66 -30.58 31.16 18.76 -31.02 30.18 3 0 1000.00 -999 ? >GLY~B 86 21.36 -34.46 27.28 21.81 -33.76 27.41 21.59 -34.11 27.34 1 0 1000.00 -999 ? >LYS~B 87 24.77 -33.12 26.36 25.69 -31.84 21.12 25.23 -32.48 23.74 2 0 1000.00 -999 ? >THR~B 88 25.60 -31.77 29.81 25.06 -29.96 30.88 25.33 -30.87 30.34 2 0 1000.00 -999 ? >ALA~B 89 24.50 -35.11 31.38 23.10 -35.72 31.32 23.80 -35.42 31.35 2 0 1000.00 -999 ? >LEU~B 90 26.27 -36.75 27.21 27.05 -38.07 25.69 26.66 -37.41 26.45 3 0 1000.00 -999 ? >LEU~B 91 29.58 -33.23 29.31 31.29 -31.87 29.49 30.44 -32.55 29.40 3 0 1000.00 -999 ? >VAL~B 92 29.20 -35.49 33.17 28.01 -34.88 34.88 28.60 -35.18 34.02 3 0 1000.00 -999 ? >LEU~B 93 28.18 -40.02 31.81 26.28 -40.78 32.53 27.23 -40.40 32.17 3 0 1000.00 -999 ? >LEU~B 94 32.07 -38.60 28.63 31.13 -39.50 26.86 31.60 -39.05 27.74 3 0 1000.00 -999 ? >SER~B 95 34.20 -36.88 32.26 33.50 -34.62 31.70 33.85 -35.75 31.98 2 0 1000.00 -999 ? >ALA~B 96 33.61 -39.17 35.18 32.26 -39.45 35.82 32.93 -39.31 35.50 2 0 1000.00 -999 ? >GLY~B 97 35.04 -41.98 33.08 34.23 -41.92 33.07 34.64 -41.95 33.08 1 0 1000.00 -999 ? >PHE~B 98 30.34 -43.61 34.51 30.05 -43.82 37.27 30.20 -43.72 35.89 3 0 1000.00 -999 ? >GLU~B 99 32.57 -46.92 28.09 32.97 -46.09 26.18 32.77 -46.50 27.13 2 0 1000.00 -999 ? >ALA^B 100 27.83 -43.26 27.86 27.49 -42.21 28.92 27.66 -42.73 28.39 2 0 1000.00 -999 ? >TYR^B 101 26.98 -44.13 23.42 29.41 -45.44 22.95 28.19 -44.78 23.19 3 0 1000.00 -999 ? >GLU^B 102 21.65 -37.88 23.55 21.91 -35.79 23.37 21.78 -36.83 23.46 2 0 1000.00 -999 ? >LEU^B 103 18.48 -42.05 23.47 16.99 -43.47 22.83 17.74 -42.76 23.15 3 0 1000.00 -999 ? >ALA~B 104 19.43 -40.71 18.96 19.92 -41.55 17.77 19.67 -41.13 18.37 2 0 1000.00 -999 ? >ASN~C 2 35.87 -16.42 21.86 34.77 -15.84 23.60 35.32 -16.13 22.73 2 0 1000.00 -999 ? >ASP~C 3 40.42 -19.47 19.50 41.43 -17.58 19.36 40.92 -18.52 19.43 2 0 1000.00 -999 ? >LYS~C 4 37.46 -22.82 20.19 37.30 -23.54 24.74 37.38 -23.18 22.47 2 0 1000.00 -999 ? >LYS~C 5 33.90 -21.48 19.85 31.42 -18.59 24.90 32.66 -20.04 22.37 2 0 1000.00 -999 ? >ILE~C 6 35.49 -18.47 16.32 35.77 -17.12 16.11 35.63 -17.79 16.21 3 0 1000.00 -999 ? >GLU~C 7 38.34 -24.61 15.39 39.46 -23.86 13.75 38.90 -24.23 14.57 2 0 1000.00 -999 ? >LEU~C 8 32.88 -25.36 17.64 31.72 -27.11 18.17 32.30 -26.24 17.91 3 0 1000.00 -999 ? >LEU~C 9 30.30 -21.31 15.23 29.31 -20.68 17.04 29.80 -21.00 16.13 3 0 1000.00 -999 ? >THR~C 10 32.71 -22.05 11.59 34.45 -20.87 11.11 33.58 -21.46 11.35 2 0 1000.00 -999 ? >THR~C 11 32.94 -25.79 10.92 34.53 -27.20 11.18 33.73 -26.50 11.05 2 0 1000.00 -999 ? >TYR~C 12 27.48 -26.90 13.70 25.05 -28.17 14.17 26.26 -27.54 13.94 3 0 1000.00 -999 ? >LEU~C 13 28.05 -22.39 10.10 26.65 -21.32 11.36 27.35 -21.85 10.73 3 0 1000.00 -999 ? >SER~C 14 30.07 -24.97 6.87 32.07 -26.28 7.33 31.07 -25.63 7.10 2 0 1000.00 -999 ? >LEU~C 15 27.89 -29.07 8.16 29.16 -30.48 9.17 28.52 -29.77 8.67 3 0 1000.00 -999 ? >TYR^C 16 23.65 -26.69 8.13 23.31 -28.23 10.44 23.48 -27.46 9.29 3 0 1000.00 -999 ? >ILE^C 17 23.53 -26.03 1.36 22.99 -26.46 0.15 23.26 -26.24 0.75 3 0 1000.00 -999 ? >ASP~C 18 21.41 -21.02 1.11 19.79 -19.68 0.99 20.60 -20.35 1.05 2 0 1000.00 -999 ? >HIS~C 19 15.97 -21.90 3.28 15.48 -19.90 3.67 15.73 -20.90 3.48 3 0 1000.00 -999 ? >HIS~C 20 17.06 -18.12 -1.48 16.72 -16.83 -3.11 16.89 -17.47 -2.29 3 0 1000.00 -999 ? >THR~C 21 19.88 -21.49 -2.87 21.99 -21.22 -2.71 20.94 -21.35 -2.79 2 0 1000.00 -999 ? >VAL~C 22 18.72 -25.09 -3.31 18.67 -26.81 -1.93 18.69 -25.95 -2.62 3 0 1000.00 -999 ? >LEU~C 23 14.11 -23.55 -3.78 13.48 -25.42 -2.89 13.79 -24.48 -3.33 3 0 1000.00 -999 ? >ALA~C 24 17.09 -21.19 -6.35 18.13 -20.29 -5.70 17.61 -20.74 -6.02 2 0 1000.00 -999 ? >ASP~C 25 20.21 -24.59 -7.87 21.13 -25.75 -9.39 20.67 -25.17 -8.63 2 0 1000.00 -999 ? >MET?C 26 16.07 -25.53 -9.39 14.09 -27.73 -6.32 15.08 -26.63 -7.85 2 0 1000.00 -999 ? >LYS~C 32 24.33 -28.03 -9.81 29.16 -25.76 -7.27 26.75 -26.89 -8.54 2 0 1000.00 -999 ? >TYR^C 33 22.80 -27.23 -5.42 24.55 -25.20 -4.60 23.68 -26.22 -5.01 3 0 1000.00 -999 ? >VAL^C 34 20.95 -32.88 -6.40 21.56 -34.51 -7.75 21.26 -33.69 -7.08 3 0 1000.00 -999 ? >VAL^C 35 18.81 -33.03 -3.22 17.32 -31.64 -2.37 18.06 -32.33 -2.80 3 0 1000.00 -999 ? >LEU^C 36 19.94 -37.07 -1.23 21.15 -37.95 -2.76 20.54 -37.51 -2.00 3 0 1000.00 -999 ? >ASP^C 37 14.33 -37.67 0.60 13.04 -37.68 2.27 13.68 -37.67 1.43 2 0 1000.00 -999 ? >VAL~C 38 17.73 -39.59 3.38 19.31 -38.31 4.01 18.52 -38.95 3.70 3 0 1000.00 -999 ? >ARG~C 39 12.21 -37.66 5.65 10.04 -35.81 4.50 11.12 -36.74 5.08 2 0 1000.00 -999 ? >ASN~C 40 13.99 -44.95 6.95 16.08 -45.13 7.40 15.03 -45.04 7.17 2 0 1000.00 -999 ? >GLN~C 49 7.29 -36.08 1.13 6.87 -37.76 -0.12 7.08 -36.92 0.50 2 0 1000.00 -999 ? >ILE~C 50 11.60 -31.23 -1.03 12.46 -30.19 -0.50 12.03 -30.71 -0.76 3 0 1000.00 -999 ? >LYS~C 51 9.67 -32.20 -5.21 4.45 -31.73 -5.34 7.06 -31.97 -5.27 2 0 1000.00 -999 ? >GLY~C 52 12.78 -33.19 -7.12 12.60 -33.56 -6.39 12.69 -33.38 -6.76 1 0 1000.00 -999 ? >ALA~C 53 14.22 -34.96 -4.09 13.76 -34.70 -2.64 13.99 -34.83 -3.36 2 0 1000.00 -999 ? >ILE^C 54 16.93 -38.67 -5.65 17.65 -39.08 -6.82 17.29 -38.87 -6.24 3 0 1000.00 -999 ? >ALA^C 55 14.56 -40.95 -2.23 13.30 -41.79 -2.26 13.93 -41.37 -2.24 2 0 1000.00 -999 ? >MET?C 56 17.54 -42.71 -0.76 21.14 -42.33 -2.81 19.34 -42.51 -1.79 2 0 1000.00 -999 ? >PRO~C 57 15.75 -45.32 2.17 17.43 -43.86 2.11 16.59 -44.59 2.14 3 0 1000.00 -999 ? >ALA~C 58 20.74 -43.28 4.79 20.78 -42.55 6.13 20.76 -42.92 5.46 2 0 1000.00 -999 ? >LYS~C 59 20.99 -47.05 5.44 16.46 -50.19 7.68 18.72 -48.62 6.56 2 0 1000.00 -999 ? >ASP~C 60 20.08 -47.58 0.84 18.59 -48.74 1.78 19.34 -48.16 1.31 2 0 1000.00 -999 ? >LEU~C 61 23.55 -43.15 1.60 24.32 -41.24 0.97 23.94 -42.20 1.28 3 0 1000.00 -999 ? >ALA~C 62 26.65 -46.31 1.60 27.05 -46.80 2.99 26.85 -46.55 2.29 2 0 1000.00 -999 ? >THR~C 63 25.45 -49.04 -0.78 24.28 -50.81 -0.33 24.87 -49.92 -0.56 2 0 1000.00 -999 ? >ARG~C 64 20.64 -46.61 -2.94 18.32 -45.24 -4.40 19.48 -45.92 -3.67 2 0 1000.00 -999 ? >ILE~C 65 28.63 -44.57 -2.31 29.06 -43.92 -2.11 28.85 -44.25 -2.21 3 0 1000.00 -999 ? >GLY~C 66 28.36 -45.38 -6.97 27.65 -45.01 -6.82 28.01 -45.20 -6.89 1 0 1000.00 -999 ? >GLU~C 67 23.47 -45.69 -8.01 21.75 -46.05 -6.87 22.61 -45.87 -7.44 2 0 1000.00 -999 ? >LEU~C 68 26.57 -40.11 -5.99 25.33 -40.33 -4.23 25.95 -40.22 -5.11 3 0 1000.00 -999 ? >ASP~C 69 26.97 -37.32 -10.98 28.16 -36.11 -12.23 27.57 -36.71 -11.61 2 0 1000.00 -999 ? >PRO~C 70 31.87 -39.03 -8.92 30.59 -37.22 -8.85 31.23 -38.13 -8.89 3 0 1000.00 -999 ? >ALA~C 71 30.53 -33.59 -10.43 30.54 -33.56 -11.96 30.54 -33.57 -11.19 2 0 1000.00 -999 ? >LYS~C 72 27.12 -32.76 -8.94 24.73 -31.51 -13.58 25.93 -32.14 -11.26 2 0 1000.00 -999 ? >THR^C 73 26.80 -31.15 -5.49 27.46 -29.21 -4.78 27.13 -30.18 -5.13 2 0 1000.00 -999 ? >TYR^C 74 24.98 -35.36 -4.02 25.00 -36.85 -6.39 24.99 -36.11 -5.20 3 0 1000.00 -999 ? >VAL^C 75 22.14 -31.71 -0.51 21.24 -29.75 -0.74 21.69 -30.73 -0.62 3 0 1000.00 -999 ? >VAL^C 76 20.98 -34.05 2.25 22.78 -34.69 3.31 21.88 -34.37 2.78 3 0 1000.00 -999 ? >TYR~C 77 14.90 -33.38 3.17 12.46 -32.15 3.76 13.68 -32.76 3.46 3 0 1000.00 -999 ? >THR~C 84 21.87 -37.71 13.38 21.34 -38.69 15.21 21.61 -38.20 14.29 2 0 1000.00 -999 ? >LEU~C 85 19.06 -39.68 10.01 18.05 -41.50 9.48 18.55 -40.59 9.75 3 0 1000.00 -999 ? >GLY~C 86 21.00 -36.33 8.07 21.53 -36.71 8.61 21.27 -36.52 8.34 1 0 1000.00 -999 ? >LYS~C 87 24.49 -36.10 9.44 23.54 -31.78 11.40 24.01 -33.94 10.42 2 0 1000.00 -999 ? >THR~C 88 25.50 -39.71 8.96 25.01 -41.59 9.91 25.25 -40.65 9.43 2 0 1000.00 -999 ? >ALA~C 89 24.52 -39.23 5.28 23.16 -38.79 4.77 23.84 -39.01 5.03 2 0 1000.00 -999 ? >LEU~C 90 26.49 -34.87 5.83 27.16 -32.89 5.28 26.82 -33.88 5.55 3 0 1000.00 -999 ? >LEU~C 91 29.57 -38.59 7.93 31.30 -39.17 9.11 30.44 -38.88 8.52 3 0 1000.00 -999 ? >VAL~C 92 29.26 -40.77 4.05 27.97 -42.47 3.76 28.61 -41.62 3.90 3 0 1000.00 -999 ? >LEU~C 93 28.06 -37.33 0.93 26.12 -37.59 -0.03 27.09 -37.46 0.45 3 0 1000.00 -999 ? >LEU~C 94 32.06 -35.31 3.54 30.98 -33.44 3.82 31.52 -34.37 3.68 3 0 1000.00 -999 ? >SER~C 95 34.23 -39.20 3.28 33.73 -39.80 5.56 33.98 -39.50 4.42 2 0 1000.00 -999 ? >ALA~C 96 33.82 -40.70 -0.15 32.48 -41.22 -0.69 33.15 -40.96 -0.42 2 0 1000.00 -999 ? >GLY~C 97 35.12 -37.47 -1.58 34.31 -37.51 -1.45 34.71 -37.49 -1.51 1 0 1000.00 -999 ? >PHE~C 98 30.23 -37.88 -3.65 29.97 -39.99 -5.47 30.10 -38.94 -4.56 3 0 1000.00 -999 ? >GLU~C 99 31.09 -29.94 -2.33 31.15 -28.35 -3.68 31.12 -29.14 -3.01 2 0 1000.00 -999 ? >ALA^C 100 27.88 -32.33 0.05 27.51 -33.72 0.55 27.70 -33.03 0.30 2 0 1000.00 -999 ? >TYR^C 101 26.93 -28.00 1.17 29.40 -26.90 0.41 28.16 -27.45 0.79 3 0 1000.00 -999 ? >GLU^C 102 21.97 -31.07 7.00 22.34 -32.21 8.72 22.15 -31.64 7.86 2 0 1000.00 -999 ? >LEU^C 103 18.60 -29.45 3.09 16.98 -28.34 2.15 17.79 -28.90 2.62 3 0 1000.00 -999 ? >ALA~C 104 19.28 -26.04 6.36 20.31 -24.95 6.60 19.80 -25.50 6.48 2 0 1000.00 -999 ? >ASN~D 2 13.62 -12.35 -4.71 12.78 -13.54 -6.28 13.20 -12.94 -5.49 2 0 1000.00 -999 ? >ASP~D 3 18.76 -9.35 -3.00 20.18 -10.88 -2.58 19.47 -10.12 -2.79 2 0 1000.00 -999 ? >LYS~D 4 15.48 -6.49 -3.41 18.54 -2.85 -5.28 17.01 -4.67 -4.34 2 0 1000.00 -999 ? >LYS~D 5 11.91 -7.80 -3.20 9.55 -11.08 -7.92 10.73 -9.44 -5.56 2 0 1000.00 -999 ? >ILE~D 6 13.54 -10.79 0.25 13.85 -12.12 0.49 13.69 -11.45 0.37 3 0 1000.00 -999 ? >GLU~D 7 16.54 -5.00 1.57 17.29 -6.00 3.30 16.92 -5.50 2.44 2 0 1000.00 -999 ? >LEU~D 8 11.11 -3.87 -0.90 9.82 -2.20 -1.39 10.47 -3.04 -1.14 3 0 1000.00 -999 ? >LEU~D 9 8.60 -7.94 1.28 7.50 -8.38 -0.52 8.05 -8.16 0.38 3 0 1000.00 -999 ? >THR~D 10 10.74 -7.21 5.12 12.42 -8.46 5.68 11.58 -7.83 5.40 2 0 1000.00 -999 ? >THR~D 11 11.19 -3.51 5.84 12.77 -2.05 5.58 11.98 -2.78 5.71 2 0 1000.00 -999 ? >TYR~D 12 5.68 -2.32 3.09 3.26 -1.01 2.73 4.47 -1.66 2.91 3 0 1000.00 -999 ? >LEU~D 13 6.18 -6.76 6.73 4.90 -7.77 5.31 5.54 -7.26 6.02 3 0 1000.00 -999 ? >SER~D 14 8.34 -4.19 9.88 10.11 -2.69 9.28 9.22 -3.44 9.58 2 0 1000.00 -999 ? >LEU~D 15 6.06 -0.12 8.69 7.35 1.01 7.37 6.70 0.44 8.03 3 0 1000.00 -999 ? >TYR^D 16 1.93 -2.61 8.69 1.26 -1.05 6.47 1.59 -1.83 7.58 3 0 1000.00 -999 ? >ILE^D 17 1.82 -3.37 15.39 1.28 -2.85 16.60 1.55 -3.11 16.00 3 0 1000.00 -999 ? >ASP~D 18 -0.82 -8.31 14.77 -2.02 -9.59 13.64 -1.42 -8.95 14.20 2 0 1000.00 -999 ? >HIS~D 19 -6.09 -6.86 13.66 -6.66 -8.79 13.05 -6.37 -7.82 13.35 3 0 1000.00 -999 ? >HIS~D 20 -5.02 -11.15 18.00 -5.56 -12.66 19.35 -5.29 -11.90 18.67 3 0 1000.00 -999 ? >THR~D 21 -1.90 -7.85 19.36 0.15 -8.13 18.83 -0.87 -7.99 19.10 2 0 1000.00 -999 ? >VAL~D 22 -2.96 -4.26 20.14 -2.63 -2.43 18.97 -2.79 -3.35 19.55 3 0 1000.00 -999 ? >LEU~D 23 -7.68 -5.39 19.79 -9.74 -4.90 19.39 -8.71 -5.14 19.59 3 0 1000.00 -999 ? >ALA~D 24 -5.37 -7.81 22.86 -4.36 -8.85 22.40 -4.86 -8.33 22.63 2 0 1000.00 -999 ? >ASP~D 25 -1.86 -4.92 24.52 -0.89 -3.83 26.05 -1.37 -4.37 25.28 2 0 1000.00 -999 ? >MET?D 26 -6.14 -3.52 25.83 -7.71 -1.14 22.56 -6.92 -2.33 24.19 2 0 1000.00 -999 ? >LYS~D 32 2.38 -1.65 26.48 1.41 -7.97 26.85 1.89 -4.81 26.67 2 0 1000.00 -999 ? >TYR^D 33 0.88 -1.88 21.99 2.46 -4.07 21.30 1.67 -2.97 21.65 3 0 1000.00 -999 ? >VAL^D 34 -0.97 3.59 23.23 -0.39 5.21 24.59 -0.68 4.40 23.91 3 0 1000.00 -999 ? >VAL^D 35 -3.12 3.75 20.06 -4.68 2.40 19.31 -3.90 3.07 19.68 3 0 1000.00 -999 ? >LEU^D 36 -1.96 7.75 18.03 -0.83 8.73 19.57 -1.39 8.24 18.80 3 0 1000.00 -999 ? >ASP^D 37 -7.65 8.18 16.18 -8.92 8.44 14.47 -8.28 8.31 15.32 2 0 1000.00 -999 ? >VAL~D 38 -4.19 10.10 13.43 -2.47 8.88 13.02 -3.33 9.49 13.22 3 0 1000.00 -999 ? >ARG~D 39 -9.15 7.85 11.65 -11.96 6.96 12.54 -10.55 7.41 12.10 2 0 1000.00 -999 ? >ASN~D 40 -6.42 15.40 9.50 -4.37 15.10 9.96 -5.40 15.25 9.73 2 0 1000.00 -999 ? >ALA~D 41 -10.84 14.52 8.90 -11.45 13.28 8.24 -11.15 13.90 8.57 2 0 1000.00 -999 ? >PRO~D 42 -14.27 17.12 8.84 -13.30 15.82 10.37 -13.78 16.47 9.61 3 0 1000.00 -999 ? >ALA~D 43 -14.29 14.21 14.19 -13.97 14.75 15.57 -14.13 14.48 14.88 2 0 1000.00 -999 ? >ILE~D 50 -10.30 1.76 17.47 -9.40 0.87 16.85 -9.85 1.32 17.16 3 0 1000.00 -999 ? >LYS~D 51 -12.08 2.50 21.63 -14.43 5.00 23.94 -13.25 3.75 22.78 2 0 1000.00 -999 ? >GLY~D 52 -9.32 3.91 23.84 -9.47 4.12 23.09 -9.40 4.02 23.46 1 0 1000.00 -999 ? >ALA~D 53 -7.76 5.47 20.73 -8.24 5.27 19.28 -8.00 5.37 20.01 2 0 1000.00 -999 ? >ILE^D 54 -4.94 9.01 22.48 -4.26 9.32 23.73 -4.60 9.16 23.10 3 0 1000.00 -999 ? >ALA^D 55 -6.90 11.62 19.07 -7.95 12.71 19.22 -7.42 12.16 19.14 2 0 1000.00 -999 ? >MET?D 56 -3.60 12.55 17.49 -0.98 13.18 19.38 -2.29 12.87 18.43 2 0 1000.00 -999 ? >PRO~D 57 -5.76 15.64 15.33 -4.13 14.18 14.91 -4.95 14.91 15.12 3 0 1000.00 -999 ? >ALA~D 58 -1.19 13.80 11.81 -1.31 13.12 10.44 -1.25 13.46 11.13 2 0 1000.00 -999 ? >LYS~D 59 -0.87 17.52 11.01 -6.02 17.82 11.41 -3.44 17.67 11.21 2 0 1000.00 -999 ? >ASP~D 60 -1.99 18.47 15.52 -3.30 19.68 14.42 -2.64 19.07 14.97 2 0 1000.00 -999 ? >LEU~D 61 1.55 13.91 15.06 2.36 12.05 15.80 1.95 12.98 15.43 3 0 1000.00 -999 ? >ALA~D 62 4.64 17.16 15.36 5.18 17.69 14.03 4.91 17.43 14.70 2 0 1000.00 -999 ? >THR~D 63 3.28 19.87 17.66 2.29 21.62 16.88 2.78 20.75 17.27 2 0 1000.00 -999 ? >ARG~D 64 -1.55 17.64 19.27 -4.37 16.71 19.99 -2.96 17.18 19.63 2 0 1000.00 -999 ? >ILE~D 65 6.44 15.30 19.60 7.94 15.34 19.51 7.19 15.32 19.55 3 0 1000.00 -999 ? >GLY~D 66 6.21 16.32 23.98 5.53 15.91 23.75 5.87 16.11 23.86 1 0 1000.00 -999 ? >GLU~D 67 1.10 16.27 24.58 -0.63 16.44 23.37 0.24 16.36 23.98 2 0 1000.00 -999 ? >LEU~D 68 4.36 10.73 22.76 3.09 10.96 21.03 3.72 10.85 21.90 3 0 1000.00 -999 ? >ASP~D 69 5.07 8.18 27.83 6.38 7.45 29.32 5.72 7.82 28.57 2 0 1000.00 -999 ? >PRO~D 70 10.01 9.48 25.81 8.53 7.84 25.63 9.27 8.66 25.72 3 0 1000.00 -999 ? >ALA~D 71 8.71 4.21 27.32 8.71 4.11 28.86 8.71 4.16 28.09 2 0 1000.00 -999 ? >LYS~D 72 5.43 3.50 25.51 1.04 7.11 28.40 3.23 5.31 26.96 2 0 1000.00 -999 ? >THR^D 73 4.96 1.83 22.13 5.68 -0.11 21.52 5.32 0.86 21.83 2 0 1000.00 -999 ? >TYR^D 74 2.89 6.08 20.79 2.68 7.47 23.22 2.79 6.77 22.01 3 0 1000.00 -999 ? >VAL^D 75 0.29 2.36 17.19 -0.53 0.34 17.49 -0.12 1.35 17.34 3 0 1000.00 -999 ? >VAL^D 76 -1.15 4.58 14.43 0.60 5.75 13.78 -0.27 5.17 14.11 3 0 1000.00 -999 ? >TYR^D 77 -6.42 3.47 13.55 -8.72 4.61 14.66 -7.57 4.04 14.11 3 0 1000.00 -999 ? >THR~D 83 -2.89 5.89 3.28 -4.41 5.58 4.79 -3.65 5.73 4.03 2 0 1000.00 -999 ? >THR~D 84 -0.15 8.51 3.42 -0.54 9.76 1.76 -0.35 9.13 2.59 2 0 1000.00 -999 ? >LEU~D 85 -2.79 10.45 7.07 -3.63 12.44 6.99 -3.21 11.45 7.03 3 0 1000.00 -999 ? >GLY~D 86 -0.69 6.95 8.68 -0.17 7.37 8.16 -0.43 7.16 8.42 1 0 1000.00 -999 ? >LYS~D 87 2.79 6.64 7.27 2.01 2.30 4.86 2.40 4.47 6.06 2 0 1000.00 -999 ? >THR~D 88 3.50 10.34 7.74 2.87 12.15 6.73 3.18 11.24 7.23 2 0 1000.00 -999 ? >ALA~D 89 2.56 10.09 11.44 1.18 9.72 11.98 1.87 9.91 11.71 2 0 1000.00 -999 ? >LEU~D 90 4.45 5.68 10.86 5.13 3.70 11.44 4.79 4.69 11.15 3 0 1000.00 -999 ? >LEU~D 91 7.63 9.20 8.78 9.37 9.98 7.77 8.50 9.59 8.28 3 0 1000.00 -999 ? >VAL~D 92 7.25 11.51 12.62 5.95 13.25 13.04 6.60 12.38 12.83 3 0 1000.00 -999 ? >LEU~D 93 6.16 8.03 15.83 4.28 8.20 16.92 5.22 8.11 16.38 3 0 1000.00 -999 ? >LEU~D 94 10.19 5.93 13.22 9.28 3.95 12.99 9.73 4.94 13.11 3 0 1000.00 -999 ? >SER~D 95 12.37 9.93 13.51 11.79 10.56 11.22 12.08 10.24 12.36 2 0 1000.00 -999 ? >ALA~D 96 11.72 11.41 16.93 10.35 11.82 17.48 11.04 11.62 17.20 2 0 1000.00 -999 ? >GLY~D 97 13.04 8.22 18.47 12.23 8.22 18.40 12.64 8.22 18.43 1 0 1000.00 -999 ? >PHE~D 98 8.25 8.29 20.32 7.75 10.52 21.93 8.00 9.40 21.12 3 0 1000.00 -999 ? >GLU^D 99 9.31 0.30 19.18 9.23 -1.28 20.60 9.27 -0.49 19.89 2 0 1000.00 -999 ? >ALA^D 100 6.01 3.01 16.72 5.58 4.42 16.32 5.80 3.72 16.52 2 0 1000.00 -999 ? >TYR^D 101 5.15 -1.25 15.47 7.52 -2.31 16.52 6.34 -1.78 16.00 3 0 1000.00 -999 ? >GLU^D 102 -0.07 2.05 9.95 0.36 3.00 8.10 0.14 2.52 9.03 2 0 1000.00 -999 ? >LEU^D 103 -3.42 -0.02 13.41 -5.01 -1.09 14.41 -4.22 -0.56 13.91 3 0 1000.00 -999 ? >ALA~D 104 -2.34 -3.39 10.20 -1.82 -4.81 10.37 -2.08 -4.10 10.28 2 0 1000.00 -999 ? >ASN~E 2 14.33 11.26 -7.04 13.72 13.31 -6.84 14.03 12.28 -6.94 2 0 1000.00 -999 ? >ASP~E 3 18.64 7.54 -7.88 19.82 8.01 -9.62 19.23 7.78 -8.75 2 0 1000.00 -999 ? >LYS~E 4 15.57 6.53 -4.81 18.03 5.98 -0.31 16.80 6.26 -2.56 2 0 1000.00 -999 ? >LYS~E 5 12.00 6.97 -6.03 9.67 12.80 -5.91 10.83 9.88 -5.97 2 0 1000.00 -999 ? >ILE~E 6 13.71 5.50 -10.33 14.07 5.99 -11.58 13.89 5.75 -10.95 3 0 1000.00 -999 ? >GLU~E 7 16.53 1.28 -6.09 17.49 0.46 -7.81 17.01 0.87 -6.95 2 0 1000.00 -999 ? >LEU~E 8 11.09 3.11 -3.76 9.80 2.76 -2.05 10.45 2.93 -2.91 3 0 1000.00 -999 ? >LEU~E 9 8.53 3.12 -8.32 7.27 4.82 -7.99 7.90 3.97 -8.16 3 0 1000.00 -999 ? >THR~E 10 10.81 -0.50 -9.62 12.46 -0.36 -11.02 11.64 -0.43 -10.32 2 0 1000.00 -999 ? >THR~E 11 11.09 -3.00 -6.76 12.70 -3.49 -5.44 11.89 -3.25 -6.10 2 0 1000.00 -999 ? >TYR~E 12 5.64 -1.04 -4.43 3.09 -1.23 -3.35 4.36 -1.14 -3.89 3 0 1000.00 -999 ? >LEU~E 13 6.17 -1.96 -10.11 4.87 -0.25 -10.40 5.52 -1.10 -10.26 3 0 1000.00 -999 ? >SER~E 14 8.14 -6.03 -9.57 10.15 -6.24 -8.28 9.15 -6.14 -8.92 2 0 1000.00 -999 ? >LEU~E 15 5.99 -6.95 -5.33 7.38 -6.62 -3.71 6.69 -6.78 -4.52 3 0 1000.00 -999 ? >TYR^E 16 1.78 -5.99 -7.42 1.20 -4.72 -4.99 1.49 -5.35 -6.21 3 0 1000.00 -999 ? >ILE^E 17 1.64 -11.28 -11.52 1.33 -12.51 -11.77 1.48 -11.89 -11.65 3 0 1000.00 -999 ? >THR~E 21 -1.04 -12.24 -17.24 1.06 -12.42 -17.63 0.01 -12.33 -17.43 2 0 1000.00 -999 ? >VAL~E 22 -2.42 -14.78 -14.72 -2.10 -15.11 -12.57 -2.26 -14.94 -13.64 3 0 1000.00 -999 ? >LEU~E 23 -6.29 -12.29 -16.04 -5.15 -10.62 -16.83 -5.72 -11.46 -16.44 3 0 1000.00 -999 ? >ALA~E 24 -4.66 -14.76 -19.53 -3.61 -13.99 -20.31 -4.14 -14.38 -19.92 2 0 1000.00 -999 ? >ASP~E 25 -1.90 -18.12 -17.36 -1.23 -20.11 -17.02 -1.57 -19.11 -17.19 2 0 1000.00 -999 ? >MET?E 26 -6.46 -19.06 -17.18 -8.07 -16.13 -14.43 -7.26 -17.59 -15.81 2 0 1000.00 -999 ? >LYS~E 32 2.47 -22.06 -15.37 5.26 -18.30 -19.12 3.86 -20.18 -17.25 2 0 1000.00 -999 ? >TYR^E 33 0.80 -17.85 -13.67 2.44 -16.05 -15.02 1.62 -16.95 -14.34 3 0 1000.00 -999 ? >VAL^E 34 -1.05 -21.35 -9.35 -0.46 -23.29 -8.51 -0.75 -22.32 -8.93 3 0 1000.00 -999 ? >VAL^E 35 -3.16 -18.72 -7.53 -4.63 -17.26 -8.22 -3.89 -17.99 -7.87 3 0 1000.00 -999 ? >LEU^E 36 -2.10 -19.13 -3.05 -0.69 -20.72 -3.32 -1.40 -19.92 -3.18 3 0 1000.00 -999 ? >ASP^E 37 -7.72 -17.69 -1.69 -8.94 -16.28 -0.70 -8.33 -16.99 -1.19 2 0 1000.00 -999 ? >VAL~E 38 -4.38 -16.40 1.53 -2.59 -15.51 0.74 -3.48 -15.96 1.13 3 0 1000.00 -999 ? >ARG~E 39 -9.74 -12.78 0.97 -12.00 -13.58 -0.97 -10.87 -13.18 0.00 2 0 1000.00 -999 ? >ASN~E 40 -9.45 -15.34 7.43 -9.75 -13.25 6.98 -9.60 -14.30 7.20 2 0 1000.00 -999 ? >ALA~E 41 -12.18 -18.70 5.11 -11.98 -20.23 5.10 -12.08 -19.47 5.11 2 0 1000.00 -999 ? >GLY~E 52 -9.91 -21.75 -9.02 -9.35 -21.17 -9.07 -9.63 -21.46 -9.05 1 0 1000.00 -999 ? >ALA~E 53 -7.36 -20.65 -6.41 -7.26 -19.20 -5.91 -7.31 -19.92 -6.16 2 0 1000.00 -999 ? >ILE^E 54 -4.68 -23.75 -3.78 -3.93 -24.98 -3.91 -4.31 -24.37 -3.84 3 0 1000.00 -999 ? >ALA^E 55 -7.22 -22.06 -0.22 -8.46 -22.60 0.47 -7.84 -22.33 0.13 2 0 1000.00 -999 ? >MET?E 56 -4.25 -21.42 2.00 -0.66 -23.20 0.87 -2.46 -22.31 1.43 2 0 1000.00 -999 ? >PRO~E 57 -6.27 -19.49 5.24 -4.37 -19.17 4.14 -5.32 -19.33 4.69 3 0 1000.00 -999 ? >ALA~E 58 -1.02 -16.73 5.42 -0.93 -15.21 5.59 -0.97 -15.97 5.51 2 0 1000.00 -999 ? >LYS~E 59 -0.85 -18.24 8.94 -5.95 -18.42 9.34 -3.40 -18.33 9.14 2 0 1000.00 -999 ? >ASP~E 60 -1.92 -22.24 6.96 -3.40 -21.74 8.36 -2.66 -21.99 7.66 2 0 1000.00 -999 ? >LEU~E 61 1.82 -19.70 3.60 2.10 -19.46 1.48 1.96 -19.58 2.54 3 0 1000.00 -999 ? >ALA~E 62 4.82 -21.51 6.28 5.20 -20.69 7.52 5.01 -21.10 6.90 2 0 1000.00 -999 ? >THR~E 63 3.64 -24.95 7.43 2.60 -25.37 9.28 3.12 -25.16 8.35 2 0 1000.00 -999 ? >ARG~E 64 -1.42 -25.36 4.36 -3.74 -25.85 2.41 -2.58 -25.60 3.39 2 0 1000.00 -999 ? >ILE~E 65 6.26 -23.40 2.47 7.40 -22.65 2.41 6.83 -23.02 2.44 3 0 1000.00 -999 ? >GLY~E 66 6.53 -28.05 1.45 5.79 -27.82 1.15 6.16 -27.93 1.30 1 0 1000.00 -999 ? >GLU~E 67 1.48 -28.19 0.52 -0.35 -28.47 1.55 0.57 -28.33 1.03 2 0 1000.00 -999 ? >LEU~E 68 4.36 -25.06 -2.79 2.84 -23.74 -2.02 3.60 -24.40 -2.41 3 0 1000.00 -999 ? >ASP~E 69 4.88 -27.87 -7.75 6.13 -28.46 -9.35 5.50 -28.17 -8.55 2 0 1000.00 -999 ? >PRO~E 70 9.99 -27.50 -6.61 8.40 -25.96 -6.76 9.20 -26.73 -6.69 3 0 1000.00 -999 ? >ALA~E 71 8.24 -25.18 -10.64 8.25 -26.46 -11.48 8.24 -25.82 -11.06 2 0 1000.00 -999 ? >LYS~E 72 4.79 -23.55 -10.71 2.94 -26.41 -14.59 3.87 -24.98 -12.65 2 0 1000.00 -999 ? >THR^E 73 4.98 -19.71 -10.43 5.64 -18.03 -11.64 5.31 -18.87 -11.03 2 0 1000.00 -999 ? >TYR^E 74 3.11 -20.68 -5.86 3.08 -23.48 -5.72 3.09 -22.08 -5.79 3 0 1000.00 -999 ? >VAL^E 75 0.35 -15.82 -7.41 -0.35 -14.96 -9.29 0.00 -15.39 -8.35 3 0 1000.00 -999 ? >VAL^E 76 -1.25 -14.53 -4.19 0.47 -14.66 -2.85 -0.39 -14.59 -3.52 3 0 1000.00 -999 ? >TYR^E 77 -6.36 -12.92 -4.67 -8.70 -14.36 -4.16 -7.53 -13.64 -4.41 3 0 1000.00 -999 ? >ASP~E 78 -5.01 -9.50 0.03 -5.96 -8.94 1.83 -5.49 -9.22 0.93 2 0 1000.00 -999 ? >TRP~E 79 -8.90 -8.82 2.34 -11.81 -9.36 4.95 -10.36 -9.09 3.65 3 0 1000.00 -999 ? >THR~E 83 -2.73 -5.80 2.40 -4.61 -6.12 3.41 -3.67 -5.96 2.91 2 0 1000.00 -999 ? >THR~E 84 -0.10 -6.85 4.93 -0.53 -5.88 6.79 -0.32 -6.37 5.86 2 0 1000.00 -999 ? >LEU~E 85 -2.85 -10.93 4.92 -2.97 -11.16 7.09 -2.91 -11.05 6.00 3 0 1000.00 -999 ? >GLY~E 86 -0.77 -10.47 1.01 -0.24 -10.30 1.65 -0.51 -10.38 1.33 1 0 1000.00 -999 ? >LYS~E 87 2.79 -9.29 1.39 1.33 -5.22 -0.60 2.06 -7.26 0.39 2 0 1000.00 -999 ? >THR~E 88 3.51 -11.59 4.32 2.89 -11.72 6.43 3.20 -11.65 5.37 2 0 1000.00 -999 ? >ALA~E 89 2.65 -14.59 2.05 1.29 -14.93 1.43 1.97 -14.76 1.74 2 0 1000.00 -999 ? >LEU~E 90 4.55 -11.90 -1.45 5.24 -11.34 -3.41 4.90 -11.62 -2.43 3 0 1000.00 -999 ? >LEU~E 91 7.67 -11.91 2.76 9.40 -11.35 3.94 8.53 -11.63 3.35 3 0 1000.00 -999 ? >VAL~E 92 7.26 -16.36 2.80 5.95 -17.49 4.12 6.60 -16.93 3.46 3 0 1000.00 -999 ? >LEU~E 93 6.19 -17.41 -1.81 4.36 -18.50 -2.19 5.28 -17.95 -2.00 3 0 1000.00 -999 ? >LEU~E 94 10.12 -14.08 -2.23 9.03 -13.01 -3.79 9.58 -13.54 -3.01 3 0 1000.00 -999 ? >SER~E 95 12.32 -16.31 1.05 11.75 -14.67 2.71 12.04 -15.49 1.88 2 0 1000.00 -999 ? >ALA~E 96 11.80 -20.00 0.56 10.45 -20.70 0.55 11.12 -20.35 0.55 2 0 1000.00 -999 ? >GLY~E 97 13.29 -19.57 -2.89 12.45 -19.54 -2.85 12.87 -19.56 -2.87 1 0 1000.00 -999 ? >PHE~E 98 8.44 -21.44 -3.66 7.95 -24.04 -2.72 8.19 -22.74 -3.19 3 0 1000.00 -999 ? >GLU~E 99 11.14 -18.29 -9.16 12.56 -17.23 -7.97 11.85 -17.76 -8.57 2 0 1000.00 -999 ? >ALA^E 100 5.97 -15.68 -6.78 5.51 -16.10 -5.38 5.74 -15.89 -6.08 2 0 1000.00 -999 ? >TYR^E 101 5.10 -12.28 -9.63 7.46 -12.57 -11.11 6.28 -12.43 -10.37 3 0 1000.00 -999 ? >GLU^E 102 0.01 -9.00 -4.16 0.40 -7.79 -2.47 0.20 -8.40 -3.31 2 0 1000.00 -999 ? >LEU^E 103 -3.40 -11.21 -7.57 -4.90 -11.63 -9.09 -4.15 -11.42 -8.33 3 0 1000.00 -999 ? >ALA~E 104 -2.44 -6.88 -9.25 -2.23 -6.49 -10.71 -2.33 -6.68 -9.98 2 0 1000.00 -999 ? >ASN~F 2 14.15 3.20 13.65 12.80 2.22 14.99 13.47 2.71 14.32 2 0 1000.00 -999 ? >ASP~F 3 18.49 3.55 9.72 19.52 4.83 11.06 19.01 4.19 10.39 2 0 1000.00 -999 ? >LYS~F 4 15.62 1.14 7.33 15.73 -3.22 8.96 15.67 -1.04 8.15 2 0 1000.00 -999 ? >LYS~F 5 12.03 2.13 8.15 9.82 -0.57 13.38 10.92 0.78 10.76 2 0 1000.00 -999 ? >ILE~F 6 13.60 6.62 9.10 13.93 7.60 10.08 13.76 7.11 9.59 3 0 1000.00 -999 ? >GLU~F 7 16.33 4.80 3.23 16.74 6.86 2.85 16.54 5.83 3.04 2 0 1000.00 -999 ? >LEU~F 8 11.02 2.10 3.61 9.69 0.81 2.48 10.36 1.46 3.04 3 0 1000.00 -999 ? >LEU~F 9 8.56 6.16 6.20 7.58 4.80 7.57 8.07 5.48 6.89 3 0 1000.00 -999 ? >THR~F 10 10.82 9.02 3.54 12.57 10.04 4.29 11.69 9.53 3.92 2 0 1000.00 -999 ? >THR~F 11 11.08 7.73 -0.01 12.61 6.78 -1.18 11.85 7.26 -0.60 2 0 1000.00 -999 ? >TYR~F 12 5.56 4.83 0.42 3.00 4.06 -0.33 4.28 4.45 0.04 3 0 1000.00 -999 ? >LEU~F 13 6.18 10.16 2.48 4.91 9.36 4.04 5.54 9.76 3.26 3 0 1000.00 -999 ? >SER~F 14 8.31 11.56 -1.35 10.27 10.41 -2.28 9.29 10.99 -1.82 2 0 1000.00 -999 ? >LEU~F 15 5.99 8.59 -4.36 7.31 6.95 -4.81 6.65 7.77 -4.58 3 0 1000.00 -999 ? >TYR^F 16 1.85 9.73 -2.17 1.38 6.98 -2.38 1.62 8.35 -2.27 3 0 1000.00 -999 ? >ILE^F 17 1.82 16.01 -4.81 1.28 16.86 -5.83 1.55 16.44 -5.32 3 0 1000.00 -999 ? >ASP^F 18 -0.53 18.60 -0.70 -2.21 19.38 0.28 -1.37 18.99 -0.21 2 0 1000.00 -999 ? >HIS~F 19 -5.93 16.03 -0.58 -6.57 16.71 1.30 -6.25 16.37 0.36 3 0 1000.00 -999 ? >HIS~F 20 -5.04 21.98 0.45 -5.49 24.00 0.79 -5.26 22.99 0.62 3 0 1000.00 -999 ? >THR~F 21 -1.98 21.67 -3.10 0.16 21.70 -2.81 -0.91 21.69 -2.95 2 0 1000.00 -999 ? >VAL~F 22 -3.08 20.40 -6.52 -3.17 18.39 -7.42 -3.13 19.40 -6.97 3 0 1000.00 -999 ? >LEU~F 23 -7.66 21.63 -5.39 -8.22 19.79 -6.43 -7.94 20.71 -5.91 3 0 1000.00 -999 ? >ALA~F 24 -4.81 25.01 -4.46 -3.89 24.88 -3.26 -4.35 24.95 -3.86 2 0 1000.00 -999 ? >ASP~F 25 -1.95 24.61 -8.25 -0.94 25.28 -9.98 -1.45 24.95 -9.12 2 0 1000.00 -999 ? >MET?F 26 -6.19 25.44 -10.03 -7.26 21.29 -10.52 -6.72 23.36 -10.27 2 0 1000.00 -999 ? >THR~F 30 0.78 30.04 -10.82 1.15 29.73 -8.70 0.97 29.89 -9.76 2 0 1000.00 -999 ? >GLY~F 31 -0.56 26.92 -12.51 0.17 27.13 -12.30 -0.20 27.03 -12.40 1 0 1000.00 -999 ? >LYS~F 32 2.38 24.51 -12.53 7.12 23.47 -9.40 4.75 23.99 -10.97 2 0 1000.00 -999 ? >TYR^F 33 0.76 21.09 -9.43 2.39 21.43 -7.20 1.57 21.26 -8.31 3 0 1000.00 -999 ? >VAL^F 34 -1.04 19.18 -14.79 -0.46 19.57 -16.87 -0.75 19.38 -15.83 3 0 1000.00 -999 ? >VAL^F 35 -3.14 16.35 -13.29 -4.76 16.30 -11.75 -3.95 16.33 -12.52 3 0 1000.00 -999 ? >LEU^F 36 -1.90 12.56 -15.71 -0.71 13.32 -17.32 -1.31 12.94 -16.51 3 0 1000.00 -999 ? >ASP^F 37 -7.51 10.78 -15.54 -8.87 9.42 -14.66 -8.19 10.10 -15.10 2 0 1000.00 -999 ? >VAL~F 38 -4.29 7.26 -15.79 -2.53 7.53 -14.59 -3.41 7.40 -15.19 3 0 1000.00 -999 ? >ARG~F 39 -9.79 6.27 -12.98 -12.08 8.09 -11.97 -10.94 7.18 -12.48 2 0 1000.00 -999 ? >ASN~F 40 -7.71 1.46 -18.73 -5.58 1.55 -18.50 -6.64 1.51 -18.61 2 0 1000.00 -999 ? >ILE~F 50 -10.44 15.80 -10.12 -9.68 16.20 -8.93 -10.06 16.00 -9.52 3 0 1000.00 -999 ? >LYS~F 51 -12.51 18.18 -13.70 -17.39 17.65 -12.54 -14.95 17.91 -13.12 2 0 1000.00 -999 ? >GLY~F 52 -9.52 19.68 -15.43 -9.60 18.85 -15.38 -9.56 19.27 -15.41 1 0 1000.00 -999 ? >ALA~F 53 -7.62 16.40 -15.25 -7.88 15.29 -14.22 -7.75 15.85 -14.74 2 0 1000.00 -999 ? >ILE^F 54 -4.89 15.87 -19.24 -4.16 16.64 -20.21 -4.53 16.26 -19.73 3 0 1000.00 -999 ? >ALA^F 55 -7.03 11.72 -19.44 -8.28 11.22 -20.16 -7.66 11.47 -19.80 2 0 1000.00 -999 ? >MET?F 56 -4.04 9.58 -20.26 -0.58 11.78 -20.91 -2.31 10.68 -20.58 2 0 1000.00 -999 ? >PRO~F 57 -5.99 5.84 -20.95 -4.20 6.51 -19.81 -5.09 6.17 -20.38 3 0 1000.00 -999 ? >ALA~F 58 -0.90 4.31 -18.15 -0.80 3.47 -16.88 -0.85 3.89 -17.51 2 0 1000.00 -999 ? >LYS~F 59 -0.89 1.89 -21.09 -5.71 -1.10 -22.82 -3.30 0.40 -21.96 2 0 1000.00 -999 ? >ASP~F 60 -1.92 5.39 -24.19 -3.28 3.91 -24.82 -2.60 4.65 -24.50 2 0 1000.00 -999 ? >LEU~F 61 1.26 7.04 -19.70 1.88 8.64 -18.39 1.57 7.84 -19.04 3 0 1000.00 -999 ? >ALA~F 62 4.53 5.55 -22.49 4.96 4.14 -22.16 4.74 4.85 -22.33 2 0 1000.00 -999 ? >THR~F 63 3.54 6.30 -26.10 2.74 4.72 -27.34 3.14 5.51 -26.72 2 0 1000.00 -999 ? >ARG~F 64 -1.37 8.88 -24.98 -3.82 10.13 -23.65 -2.59 9.50 -24.32 2 0 1000.00 -999 ? >ILE~F 65 6.51 9.79 -22.88 7.04 9.89 -22.25 6.78 9.84 -22.57 3 0 1000.00 -999 ? >GLY~F 66 6.17 13.18 -26.03 5.49 13.23 -25.60 5.83 13.20 -25.81 1 0 1000.00 -999 ? >GLU~F 67 1.22 14.15 -26.61 -0.42 12.84 -26.34 0.40 13.50 -26.48 2 0 1000.00 -999 ? >LEU~F 68 4.91 15.10 -20.85 3.77 13.46 -20.03 4.34 14.28 -20.44 3 0 1000.00 -999 ? >ASP~F 69 5.17 20.74 -20.91 6.34 22.43 -20.44 5.75 21.59 -20.68 2 0 1000.00 -999 ? >PRO~F 70 10.20 18.48 -21.18 8.79 19.18 -19.61 9.49 18.83 -20.39 3 0 1000.00 -999 ? >ALA~F 71 8.43 22.39 -17.37 8.25 23.71 -18.13 8.34 23.05 -17.75 2 0 1000.00 -999 ? >LYS~F 72 5.03 21.30 -16.05 2.77 25.78 -16.58 3.90 23.54 -16.31 2 0 1000.00 -999 ? >THR^F 73 5.02 19.22 -12.82 5.80 19.69 -10.85 5.41 19.46 -11.84 2 0 1000.00 -999 ? >TYR^F 74 3.01 15.88 -15.89 3.00 17.16 -18.37 3.00 16.52 -17.13 3 0 1000.00 -999 ? >VAL^F 75 0.43 14.65 -10.85 -0.42 15.82 -9.21 0.01 15.23 -10.03 3 0 1000.00 -999 ? >VAL^F 76 -0.97 11.14 -11.43 0.77 9.81 -11.68 -0.10 10.48 -11.55 3 0 1000.00 -999 ? >TYR^F 77 -6.99 10.83 -10.23 -9.45 10.42 -8.98 -8.22 10.62 -9.61 3 0 1000.00 -999 ? >ASP~F 78 -4.13 5.89 -8.82 -4.37 3.80 -9.10 -4.25 4.85 -8.96 2 0 1000.00 -999 ? >THR~F 84 -0.06 -0.32 -9.02 -0.61 -2.39 -8.92 -0.34 -1.36 -8.97 2 0 1000.00 -999 ? >LEU~F 85 -2.88 1.60 -12.42 -4.04 2.22 -14.11 -3.46 1.91 -13.27 3 0 1000.00 -999 ? >GLY~F 86 -0.80 4.89 -10.39 -0.28 4.22 -10.45 -0.54 4.56 -10.42 1 0 1000.00 -999 ? >LYS~F 87 2.66 3.61 -9.48 1.41 4.14 -5.22 2.04 3.87 -7.35 2 0 1000.00 -999 ? >THR~F 88 3.51 2.48 -13.01 2.98 0.70 -14.13 3.25 1.59 -13.57 2 0 1000.00 -999 ? >ALA~F 89 2.47 5.89 -14.42 1.12 6.56 -14.18 1.79 6.23 -14.30 2 0 1000.00 -999 ? >LEU~F 90 4.50 7.64 -10.45 5.15 9.11 -9.00 4.83 8.38 -9.72 3 0 1000.00 -999 ? >LEU~F 91 7.65 3.89 -12.53 9.43 2.62 -12.56 8.54 3.26 -12.55 3 0 1000.00 -999 ? >VAL~F 92 7.23 6.12 -16.37 5.92 5.63 -18.03 6.57 5.88 -17.20 3 0 1000.00 -999 ? >LEU~F 93 6.13 10.64 -14.98 4.15 11.33 -15.63 5.14 10.99 -15.30 3 0 1000.00 -999 ? >LEU~F 94 10.08 9.44 -11.90 9.04 10.21 -10.13 9.56 9.83 -11.02 3 0 1000.00 -999 ? >SER~F 95 12.13 7.64 -15.56 11.72 5.33 -14.93 11.93 6.48 -15.24 2 0 1000.00 -999 ? >ALA~F 96 11.44 9.86 -18.53 10.06 10.18 -19.08 10.75 10.02 -18.81 2 0 1000.00 -999 ? >GLY~F 97 12.98 12.72 -16.58 12.17 12.66 -16.51 12.57 12.69 -16.55 1 0 1000.00 -999 ? >PHE~F 98 8.29 14.36 -17.62 8.30 14.55 -20.40 8.30 14.45 -19.01 3 0 1000.00 -999 ? >GLU~F 99 9.36 17.35 -10.02 9.19 19.34 -9.26 9.27 18.35 -9.64 2 0 1000.00 -999 ? >ALA^F 100 6.10 13.97 -10.97 5.73 12.89 -11.99 5.91 13.43 -11.48 2 0 1000.00 -999 ? >TYR^F 101 5.13 14.92 -6.56 7.55 16.20 -5.98 6.34 15.56 -6.27 3 0 1000.00 -999 ? >GLU^F 102 -0.11 8.53 -6.67 0.16 6.43 -6.80 0.02 7.48 -6.73 2 0 1000.00 -999 ? >LEU^F 103 -3.36 12.64 -6.78 -4.94 14.05 -6.33 -4.15 13.35 -6.55 3 0 1000.00 -999 ? >ALA^F 104 -2.41 11.76 -2.21 -1.43 12.27 -1.15 -1.92 12.02 -1.68 2 0 1000.00 -999 ?