REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-JUN-08 3DL3 COMPND TELLURITE RESISTANCE PROTEIN B; COMPND 3 CHAIN: A, B, D, E, G, H, F, I; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO FISCHERI ES114; SOURCE 3 ORGANISM_TAXID: 312309; SOURCE 4 GENE: TEHB, VF_1779 AUTHOR A.P.KUZIN,M.SU,J.SEETHARAMAN,D.WANG,L.MAO,M.MAGLAQUI,R.XIAO, AUTHOR 2 J.LIU,M.C.BARAN,T.B.ACTON,B.ROST,G.T.MONTELIONE,L.TONG, AUTHOR 3 J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 45 8 HET MSE B 45 8 HET MSE D 45 8 HET MSE E 45 8 HET MSE E 107 8 HET MSE G 45 8 HET MSE H 45 8 HET MSE F 45 8 HET MSE F 107 8 HET MSE I 45 8 HET MSE I 107 8 >ARG.A 5 30.89 -17.25 17.51 29.58 -19.49 15.88 30.23 -18.37 16.69 2 0 1000.00 -999 ? >ILE.A 6 29.35 -11.34 13.11 29.19 -10.93 12.43 29.27 -11.13 12.77 3 0 1000.00 -999 ? >PRO.A 7 31.34 -15.12 9.63 32.00 -13.15 10.42 31.67 -14.13 10.03 3 0 1000.00 -999 ? >LYS.A 8 34.29 -9.94 8.77 40.46 -10.28 7.20 37.37 -10.11 7.98 2 0 1000.00 -999 ? >ASN.A 9 33.65 -11.53 4.30 33.04 -13.50 4.82 33.35 -12.52 4.56 2 0 1000.00 -999 ? >TRP.A 10 29.76 -13.52 6.54 26.91 -15.50 8.38 28.34 -14.51 7.46 3 0 1000.00 -999 ? >THR^A 11 27.24 -7.43 5.82 27.63 -7.22 3.70 27.44 -7.33 4.76 2 0 1000.00 -999 ? >ILE^A 12 23.63 -4.83 7.76 23.24 -4.07 8.93 23.44 -4.45 8.34 3 0 1000.00 -999 ? >GLN^A 13 21.24 -9.61 3.33 23.24 -9.14 2.75 22.24 -9.37 3.04 2 0 1000.00 -999 ? >ARG^A 14 14.53 -7.54 6.98 15.47 -10.21 8.22 15.00 -8.87 7.60 2 0 1000.00 -999 ? >SER^A 15 17.91 -3.34 9.49 20.18 -2.47 9.52 19.04 -2.90 9.50 2 0 1000.00 -999 ? >THR.A 16 14.65 -2.79 11.32 13.77 -3.29 13.23 14.21 -3.04 12.28 2 0 1000.00 -999 ? >PRO.A 17 11.39 0.16 11.65 13.60 0.06 11.98 12.50 0.11 11.81 3 0 1000.00 -999 ? >PHE.A 18 15.08 3.82 16.39 17.76 4.64 16.48 16.42 4.23 16.43 3 0 1000.00 -999 ? >PHE.A 19 10.70 -1.95 16.73 10.27 -2.91 14.14 10.48 -2.43 15.43 3 0 1000.00 -999 ? >THR.A 20 9.58 1.16 21.52 9.08 3.20 20.98 9.33 2.18 21.25 2 0 1000.00 -999 ? >LYS.A 21 6.79 -0.29 23.67 7.13 -3.48 28.45 6.96 -1.89 26.06 2 0 1000.00 -999 ? >ASP.A 22 3.98 2.83 21.27 3.72 3.89 23.05 3.85 3.36 22.16 2 0 1000.00 -999 ? >ASN.A 23 5.18 0.83 17.08 7.21 1.44 16.92 6.20 1.13 17.00 2 0 1000.00 -999 ? >VAL.A 24 7.26 -3.17 18.81 8.08 -4.18 20.58 7.67 -3.68 19.69 3 0 1000.00 -999 ? >PRO~A 25 7.56 -5.27 15.01 6.66 -5.67 17.01 7.11 -5.47 16.01 3 0 1000.00 -999 ? >GLU~A 26 3.14 -9.87 20.53 0.99 -9.96 20.53 2.07 -9.92 20.53 2 0 1000.00 -999 ? >ALA~A 27 7.20 -11.52 17.24 7.13 -11.72 15.71 7.16 -11.62 16.48 2 0 1000.00 -999 ? >LEU~A 28 10.94 -8.37 17.81 11.77 -7.69 15.93 11.35 -8.03 16.87 3 0 1000.00 -999 ? >LEU~A 29 8.83 -9.28 22.55 9.15 -7.16 22.85 8.99 -8.22 22.70 3 0 1000.00 -999 ? >THR~A 30 8.78 -13.86 21.70 7.67 -15.21 20.43 8.23 -14.53 21.07 2 0 1000.00 -999 ? >HIS.A 31 11.48 -19.17 23.41 12.86 -20.68 23.87 12.17 -19.93 23.64 3 0 1000.00 -999 ? >HIS.A 32 12.47 -15.46 17.84 13.41 -13.59 17.80 12.94 -14.53 17.82 3 0 1000.00 -999 ? >ASN.A 33 16.29 -19.44 17.03 15.65 -20.76 15.48 15.97 -20.10 16.25 2 0 1000.00 -999 ? >THR.A 34 17.20 -16.65 13.68 18.87 -15.34 14.23 18.04 -15.99 13.95 2 0 1000.00 -999 ? >ALA.A 35 17.78 -18.55 10.40 17.57 -17.96 9.01 17.68 -18.26 9.70 2 0 1000.00 -999 ? >VAL.A 36 20.76 -20.76 9.53 21.32 -21.81 7.69 21.04 -21.29 8.61 3 0 1000.00 -999 ? >ASP.A 37 23.92 -18.25 7.22 25.57 -19.59 7.37 24.75 -18.92 7.29 2 0 1000.00 -999 ? >VAL^A 38 21.98 -14.86 10.25 20.06 -14.09 9.50 21.02 -14.48 9.87 3 0 1000.00 -999 ? >PHE^A 39 25.86 -13.56 13.37 27.91 -15.44 13.54 26.89 -14.50 13.46 3 0 1000.00 -999 ? >GLY^A 40 20.93 -10.65 14.89 21.68 -10.74 15.25 21.30 -10.69 15.07 1 0 1000.00 -999 ? >GLN^A 41 24.41 -5.73 16.34 25.21 -4.15 15.14 24.81 -4.94 15.74 2 0 1000.00 -999 ? >ILE^A 42 19.49 -6.64 19.94 18.29 -7.34 20.42 18.89 -6.99 20.18 3 0 1000.00 -999 ? >CYH^A 43 21.19 -2.20 19.48 23.01 -1.99 17.35 22.10 -2.10 18.41 2 0 1000.00 -999 ? >VAL^A 44 19.67 -0.30 22.39 19.13 -1.19 24.31 19.40 -0.74 23.35 3 0 1000.00 -999 ? >MET?A 45 19.43 3.49 21.92 20.75 5.93 19.92 20.09 4.71 20.92 2 0 1000.00 -999 ? >GLU^A 46 15.85 6.11 25.91 14.24 7.44 25.44 15.05 6.78 25.67 2 0 1000.00 -999 ? >GLY.A 47 16.24 2.32 28.07 16.95 2.19 27.72 16.60 2.25 27.90 1 0 1000.00 -999 ? >VAL^A 48 17.08 -1.27 28.86 17.89 -1.58 30.86 17.49 -1.43 29.86 3 0 1000.00 -999 ? >VAL^A 49 16.61 -4.51 26.97 16.49 -4.70 24.82 16.55 -4.61 25.89 3 0 1000.00 -999 ? >THR^A 50 16.83 -7.70 29.02 16.16 -8.08 31.05 16.49 -7.89 30.03 2 0 1000.00 -999 ? >TYR^A 51 19.65 -11.38 25.04 20.36 -13.25 23.07 20.01 -12.31 24.05 3 0 1000.00 -999 ? >TYR^A 52 15.49 -13.86 29.30 14.37 -12.23 31.31 14.93 -13.04 30.30 3 0 1000.00 -999 ? >GLY^A 53 19.45 -16.98 25.94 19.09 -17.22 26.69 19.27 -17.10 26.32 1 0 1000.00 -999 ? >PHE^A 54 16.21 -20.08 26.34 14.45 -18.32 27.62 15.33 -19.20 26.98 3 0 1000.00 -999 ? >ALA.A 55 20.92 -23.66 25.24 21.30 -24.72 26.29 21.11 -24.19 25.76 2 0 1000.00 -999 ? >ASN.A 56 18.85 -26.80 22.83 18.34 -27.68 24.69 18.59 -27.24 23.76 2 0 1000.00 -999 ? >SER.A 57 14.96 -25.47 21.47 14.30 -27.54 20.33 14.63 -26.50 20.90 2 0 1000.00 -999 ? >GLU.A 58 14.91 -29.53 24.15 15.01 -30.03 22.08 14.96 -29.78 23.11 2 0 1000.00 -999 ? >ALA.A 59 15.33 -25.42 27.20 16.74 -24.84 27.16 16.03 -25.13 27.18 2 0 1000.00 -999 ? >THR.A 60 12.78 -23.38 29.16 11.39 -24.86 29.91 12.09 -24.12 29.53 2 0 1000.00 -999 ? >GLU.A 61 14.62 -23.44 33.65 13.53 -22.01 34.78 14.07 -22.73 34.22 2 0 1000.00 -999 ? >PRO.A 62 16.75 -17.87 31.59 17.18 -19.77 30.49 16.97 -18.82 31.04 3 0 1000.00 -999 ? >GLU.A 63 22.71 -20.32 27.95 23.53 -21.63 26.50 23.12 -20.97 27.23 2 0 1000.00 -999 ? >ILE^A 64 23.17 -16.06 28.97 23.69 -15.22 27.98 23.43 -15.64 28.47 3 0 1000.00 -999 ? >LYS^A 65 20.24 -13.36 31.24 16.80 -10.34 34.28 18.52 -11.85 32.76 2 0 1000.00 -999 ? >VAL^A 66 21.87 -10.01 30.47 23.87 -10.24 29.67 22.87 -10.12 30.07 3 0 1000.00 -999 ? >VAL^A 67 20.59 -6.44 30.52 20.47 -5.69 32.60 20.53 -6.06 31.56 3 0 1000.00 -999 ? >ILE^A 68 21.38 -4.73 26.24 21.70 -5.49 25.16 21.54 -5.11 25.70 3 0 1000.00 -999 ? >ASN^A 69 22.59 0.16 29.26 22.16 -0.90 31.07 22.38 -0.37 30.17 2 0 1000.00 -999 ? >ALA.A 70 21.97 2.58 25.78 21.54 3.97 26.21 21.75 3.27 25.99 2 0 1000.00 -999 ? >GLY.A 71 25.13 2.59 23.70 24.74 1.90 23.87 24.94 2.25 23.79 1 0 1000.00 -999 ? >GLN^A 72 26.27 -1.12 26.22 26.36 -2.19 28.06 26.31 -1.65 27.14 2 0 1000.00 -999 ? >PHE^A 73 26.04 -4.03 19.72 28.67 -4.48 18.78 27.35 -4.26 19.25 3 0 1000.00 -999 ? >ALA^A 74 24.00 -7.91 21.83 23.06 -8.43 22.89 23.53 -8.17 22.36 2 0 1000.00 -999 ? >THR^A 75 24.43 -10.29 18.93 25.88 -10.08 17.36 25.15 -10.18 18.14 2 0 1000.00 -999 ? >SER^A 76 22.41 -13.49 18.73 20.26 -12.90 19.71 21.34 -13.19 19.22 2 0 1000.00 -999 ? >PRO.A 77 24.79 -17.11 18.81 24.04 -15.71 17.26 24.42 -16.41 18.03 3 0 1000.00 -999 ? >PRO.A 78 24.53 -17.69 12.71 23.13 -17.88 14.43 23.83 -17.79 13.57 3 0 1000.00 -999 ? >GLN.A 79 20.21 -21.89 13.19 20.70 -23.80 12.39 20.46 -22.84 12.79 2 0 1000.00 -999 ? >TYR.A 80 21.68 -18.55 20.82 22.11 -18.62 23.57 21.90 -18.58 22.20 3 0 1000.00 -999 ? >TRP^A 81 16.81 -22.61 19.90 13.11 -22.10 18.63 14.96 -22.36 19.26 3 0 1000.00 -999 ? >HIS^A 82 17.39 -14.63 21.25 17.11 -13.99 19.27 17.25 -14.31 20.26 3 0 1000.00 -999 ? >ARG^A 83 11.60 -15.38 26.64 11.99 -15.81 29.66 11.80 -15.59 28.15 2 0 1000.00 -999 ? >ILE^A 84 14.74 -9.05 24.05 15.13 -8.62 22.74 14.94 -8.84 23.40 3 0 1000.00 -999 ? >GLU^A 85 11.23 -9.81 28.98 11.14 -10.51 31.00 11.19 -10.16 29.99 2 0 1000.00 -999 ? >LEU^A 86 11.11 -3.51 25.96 11.40 -3.98 23.89 11.26 -3.74 24.92 3 0 1000.00 -999 ? >SER.A 87 11.74 -1.40 29.85 13.57 0.08 29.23 12.66 -0.66 29.54 2 0 1000.00 -999 ? >ASP.A 88 8.53 2.10 30.84 6.80 1.11 31.51 7.67 1.61 31.18 2 0 1000.00 -999 ? >ASP.A 89 12.17 4.97 28.76 13.91 4.27 29.76 13.04 4.62 29.26 2 0 1000.00 -999 ? >ALA.A 90 13.24 1.31 25.70 13.05 -0.19 25.81 13.15 0.56 25.76 2 0 1000.00 -999 ? >GLN^A 91 14.22 4.30 20.56 15.10 6.18 20.08 14.66 5.24 20.32 2 0 1000.00 -999 ? >PHE^A 92 15.10 -2.52 20.50 13.04 -4.33 19.91 14.07 -3.42 20.20 3 0 1000.00 -999 ? >ASN^A 93 17.07 -0.60 15.52 18.99 -0.90 14.65 18.03 -0.75 15.09 2 0 1000.00 -999 ? >ILE^A 94 17.27 -6.16 15.40 16.88 -7.28 16.12 17.07 -6.72 15.76 3 0 1000.00 -999 ? >ASN^A 95 21.89 -4.74 12.29 21.76 -2.66 12.75 21.83 -3.70 12.52 2 0 1000.00 -999 ? >PHE^A 96 18.13 -9.35 10.85 16.11 -9.26 12.80 17.12 -9.31 11.82 3 0 1000.00 -999 ? >TRP^A 97 24.73 -8.06 11.82 27.58 -5.74 10.37 26.16 -6.90 11.10 3 0 1000.00 -999 ? >SER^A 98 24.27 -12.77 6.61 22.56 -11.96 5.08 23.42 -12.36 5.84 2 0 1000.00 -999 ? >ASP.A 99 27.10 -15.55 3.88 28.86 -15.86 2.74 27.98 -15.71 3.31 2 0 1000.00 -999 ? >GLN.A 100 22.10 -13.51 1.77 20.05 -13.12 1.31 21.08 -13.32 1.54 2 0 1000.00 -999 ? >LEU.B 4 -3.40 -41.33 32.54 -3.02 -43.43 32.18 -3.21 -42.38 32.36 3 0 1000.00 -999 ? >ARG.B 5 -8.55 -40.28 36.59 -9.63 -42.37 34.61 -9.09 -41.33 35.60 2 0 1000.00 -999 ? >ILE.B 6 -2.70 -34.61 36.39 -1.96 -33.58 35.72 -2.33 -34.10 36.05 3 0 1000.00 -999 ? >PRO.B 7 -0.99 -38.47 39.95 -2.50 -36.83 39.86 -1.75 -37.65 39.91 3 0 1000.00 -999 ? >LYS.B 8 -3.91 -33.94 42.61 -8.29 -35.74 44.29 -6.10 -34.84 43.45 2 0 1000.00 -999 ? >ASN.B 9 -0.20 -34.84 45.49 0.52 -36.64 44.60 0.16 -35.74 45.04 2 0 1000.00 -999 ? >TRP.B 10 1.59 -36.34 41.00 3.12 -37.68 37.63 2.36 -37.01 39.31 3 0 1000.00 -999 ? >THR^B 11 2.94 -29.86 40.43 3.60 -28.62 42.12 3.27 -29.24 41.27 2 0 1000.00 -999 ? >ILE^B 12 3.41 -26.71 36.79 3.46 -25.41 36.27 3.44 -26.06 36.53 3 0 1000.00 -999 ? >GLN^B 13 9.64 -30.25 35.72 10.15 -32.16 34.90 9.90 -31.21 35.31 2 0 1000.00 -999 ? >ARG^B 14 10.95 -28.23 31.29 10.20 -30.94 30.03 10.57 -29.59 30.66 2 0 1000.00 -999 ? >SER^B 15 6.34 -24.43 31.26 4.44 -23.80 32.63 5.39 -24.11 31.95 2 0 1000.00 -999 ? >THR.B 16 7.17 -23.69 27.65 6.40 -25.31 26.42 6.79 -24.50 27.04 2 0 1000.00 -999 ? >PRO.B 17 8.80 -20.59 25.02 7.03 -20.89 26.31 7.92 -20.74 25.66 3 0 1000.00 -999 ? >PHE.B 18 1.96 -18.24 24.46 -0.21 -18.06 26.23 0.87 -18.15 25.34 3 0 1000.00 -999 ? >PHE.B 19 6.11 -23.20 21.21 8.28 -23.89 22.87 7.19 -23.55 22.04 3 0 1000.00 -999 ? >THR.B 20 3.19 -20.49 16.90 2.61 -18.44 16.42 2.90 -19.47 16.66 2 0 1000.00 -999 ? >LYS.B 21 3.70 -21.81 13.36 0.18 -24.41 8.93 1.94 -23.11 11.14 2 0 1000.00 -999 ? >ASP.B 22 6.19 -17.64 13.12 5.23 -16.81 11.42 5.71 -17.23 12.27 2 0 1000.00 -999 ? >ASN.B 23 8.69 -19.01 17.09 7.10 -19.08 18.50 7.89 -19.05 17.79 2 0 1000.00 -999 ? >VAL.B 24 7.45 -23.56 17.07 6.07 -25.11 16.36 6.76 -24.33 16.72 3 0 1000.00 -999 ? >PRO~B 25 9.57 -26.22 19.81 9.74 -25.62 17.66 9.66 -25.92 18.73 3 0 1000.00 -999 ? >GLU~B 26 12.68 -28.95 14.23 13.97 -28.85 12.54 13.32 -28.90 13.38 2 0 1000.00 -999 ? >ALA~B 27 10.80 -31.38 17.90 11.75 -31.15 19.08 11.27 -31.26 18.49 2 0 1000.00 -999 ? >LEU~B 28 6.60 -29.60 19.43 6.96 -28.99 21.48 6.78 -29.30 20.46 3 0 1000.00 -999 ? >LEU~B 29 6.24 -30.27 14.08 5.64 -28.19 14.11 5.94 -29.23 14.10 3 0 1000.00 -999 ? >THR~B 30 7.34 -34.72 15.01 9.45 -34.32 14.93 8.39 -34.52 14.97 2 0 1000.00 -999 ? >HIS.B 31 5.84 -40.61 16.01 5.06 -42.44 16.67 5.45 -41.52 16.34 3 0 1000.00 -999 ? >HIS^B 32 7.59 -35.78 20.76 6.21 -34.27 21.22 6.90 -35.03 20.99 3 0 1000.00 -999 ? >ASN^B 33 6.84 -40.50 23.76 8.62 -41.11 24.80 7.73 -40.81 24.28 2 0 1000.00 -999 ? >THR.B 34 6.88 -37.55 27.04 4.83 -36.97 27.45 5.86 -37.26 27.25 2 0 1000.00 -999 ? >ALA.B 35 9.07 -38.51 30.02 9.83 -37.51 30.89 9.45 -38.01 30.46 2 0 1000.00 -999 ? >VAL.B 36 8.32 -41.37 32.44 9.54 -42.45 33.90 8.93 -41.91 33.17 3 0 1000.00 -999 ? >ASP.B 37 7.95 -39.12 36.46 6.88 -38.82 38.27 7.41 -38.97 37.36 2 0 1000.00 -999 ? >VAL.B 38 5.37 -36.19 33.43 7.24 -35.50 32.59 6.31 -35.85 33.01 3 0 1000.00 -999 ? >PHE^B 39 0.21 -36.22 33.34 -0.99 -38.62 34.16 -0.39 -37.42 33.75 3 0 1000.00 -999 ? >GLY^B 40 2.18 -32.69 29.02 1.44 -32.98 29.32 1.81 -32.83 29.17 1 0 1000.00 -999 ? >GLN^B 41 -2.41 -28.83 30.67 -2.76 -27.59 32.36 -2.59 -28.21 31.52 2 0 1000.00 -999 ? >ILE^B 42 -1.33 -29.40 24.65 -0.73 -29.80 23.37 -1.03 -29.60 24.01 3 0 1000.00 -999 ? >CYH^B 43 -3.09 -25.31 26.31 -3.03 -25.39 29.11 -3.06 -25.35 27.71 2 0 1000.00 -999 ? >VAL^B 44 -4.45 -23.64 23.19 -5.01 -24.70 21.36 -4.73 -24.17 22.28 3 0 1000.00 -999 ? >MET?B 45 -4.77 -19.89 23.57 -4.90 -17.37 25.82 -4.83 -18.63 24.69 2 0 1000.00 -999 ? >GLU^B 46 -5.75 -17.10 18.58 -6.75 -15.51 19.60 -6.25 -16.31 19.09 2 0 1000.00 -999 ? >GLY.B 47 -6.41 -21.28 16.81 -6.62 -21.54 17.54 -6.51 -21.41 17.18 1 0 1000.00 -999 ? >VAL^B 48 -6.47 -25.06 16.67 -8.31 -25.98 15.85 -7.39 -25.52 16.26 3 0 1000.00 -999 ? >VAL^B 49 -4.04 -27.79 17.66 -2.28 -27.63 19.00 -3.16 -27.71 18.33 3 0 1000.00 -999 ? >THR^B 50 -4.79 -31.28 16.27 -5.67 -31.84 14.35 -5.23 -31.56 15.31 2 0 1000.00 -999 ? >TYR^B 51 -3.06 -34.88 20.93 -1.65 -36.59 22.63 -2.35 -35.73 21.78 3 0 1000.00 -999 ? >TYR^B 52 -2.74 -37.00 14.76 -4.15 -35.84 12.63 -3.45 -36.42 13.69 3 0 1000.00 -999 ? >GLY^B 53 -2.08 -40.30 19.73 -2.23 -40.52 18.92 -2.15 -40.41 19.33 1 0 1000.00 -999 ? >PHE.B 54 0.91 -42.69 17.04 0.75 -41.04 14.79 0.83 -41.86 15.92 3 0 1000.00 -999 ? >ALA.B 55 -0.72 -47.01 20.73 -1.21 -48.29 20.02 -0.96 -47.65 20.38 2 0 1000.00 -999 ? >ASN.B 56 3.40 -48.83 21.17 2.81 -50.11 19.58 3.10 -49.47 20.37 2 0 1000.00 -999 ? >SER.B 57 6.45 -46.37 19.47 8.89 -46.27 19.45 7.67 -46.32 19.46 2 0 1000.00 -999 ? >GLU.B 58 7.14 -50.67 17.51 7.21 -52.77 17.86 7.17 -51.72 17.69 2 0 1000.00 -999 ? >ALA.B 59 2.16 -47.68 15.65 1.13 -47.11 16.60 1.64 -47.40 16.13 2 0 1000.00 -999 ? >THR.B 60 1.76 -46.07 12.21 2.41 -47.72 10.98 2.09 -46.89 11.60 2 0 1000.00 -999 ? >GLU.B 61 -4.30 -45.69 11.32 -4.19 -44.23 9.76 -4.25 -44.96 10.54 2 0 1000.00 -999 ? >PRO.B 62 -2.91 -41.33 13.68 -3.11 -43.37 14.51 -3.01 -42.35 14.09 3 0 1000.00 -999 ? >GLU.B 63 -4.01 -44.83 19.92 -3.77 -45.91 21.70 -3.89 -45.37 20.81 2 0 1000.00 -999 ? >ILE^B 64 -6.54 -41.13 20.48 -6.20 -40.26 21.66 -6.37 -40.69 21.07 3 0 1000.00 -999 ? >LYS^B 65 -7.31 -37.91 17.33 -9.96 -35.07 13.71 -8.63 -36.49 15.52 2 0 1000.00 -999 ? >VAL^B 66 -8.53 -34.90 19.27 -7.93 -34.51 21.36 -8.23 -34.71 20.31 3 0 1000.00 -999 ? >VAL^B 67 -8.93 -31.34 18.01 -10.63 -31.27 16.63 -9.78 -31.31 17.32 3 0 1000.00 -999 ? >ILE^B 68 -6.77 -28.92 21.54 -5.97 -29.41 22.66 -6.37 -29.16 22.10 3 0 1000.00 -999 ? >ASN^B 69 -11.03 -25.14 20.03 -11.81 -26.50 18.61 -11.42 -25.82 19.32 2 0 1000.00 -999 ? >ALA.B 70 -8.74 -22.02 21.97 -8.89 -20.68 21.25 -8.82 -21.35 21.61 2 0 1000.00 -999 ? >GLY.B 71 -9.79 -21.98 25.62 -9.44 -22.67 25.29 -9.62 -22.33 25.46 1 0 1000.00 -999 ? >GLN^B 72 -11.35 -26.07 24.54 -12.43 -27.42 23.27 -11.89 -26.74 23.91 2 0 1000.00 -999 ? >PHE^B 73 -6.36 -28.00 29.41 -7.54 -28.91 31.79 -6.95 -28.45 30.60 3 0 1000.00 -999 ? >ALA^B 74 -5.61 -31.71 26.52 -5.71 -32.28 25.11 -5.66 -32.00 25.81 2 0 1000.00 -999 ? >THR^B 75 -3.19 -33.69 28.71 -4.20 -33.90 30.60 -3.69 -33.79 29.66 2 0 1000.00 -999 ? >SER^B 76 -0.72 -36.21 27.33 0.72 -36.85 25.49 0.00 -36.53 26.41 2 0 1000.00 -999 ? >PRO.B 77 -2.05 -40.11 28.57 -0.25 -38.86 28.99 -1.15 -39.49 28.78 3 0 1000.00 -999 ? >PRO.B 78 2.78 -39.86 32.81 2.84 -40.11 30.59 2.81 -39.99 31.70 3 0 1000.00 -999 ? >GLN.B 79 6.80 -43.02 29.74 7.72 -44.76 30.51 7.26 -43.89 30.13 2 0 1000.00 -999 ? >TYR.B 80 0.14 -41.70 24.84 -1.80 -42.41 22.96 -0.83 -42.06 23.90 3 0 1000.00 -999 ? >TRP^B 81 5.79 -43.76 22.41 8.87 -42.64 20.22 7.33 -43.20 21.32 3 0 1000.00 -999 ? >HIS^B 82 1.89 -36.95 21.81 3.06 -35.99 23.27 2.47 -36.47 22.54 3 0 1000.00 -999 ? >ARG^B 83 3.41 -36.20 13.52 0.80 -35.80 11.94 2.10 -36.00 12.73 2 0 1000.00 -999 ? >ILE^B 84 0.73 -31.31 18.12 1.47 -30.72 19.23 1.10 -31.01 18.67 3 0 1000.00 -999 ? >GLU^B 85 -0.47 -32.07 12.19 -1.59 -33.00 10.66 -1.03 -32.54 11.42 2 0 1000.00 -999 ? >LEU^B 86 0.01 -25.61 14.66 1.45 -25.85 16.27 0.73 -25.73 15.47 3 0 1000.00 -999 ? >SER.B 87 -3.61 -24.34 12.31 -4.90 -23.04 13.90 -4.25 -23.69 13.11 2 0 1000.00 -999 ? >ASP.B 88 -2.50 -20.60 9.42 -2.23 -21.90 7.75 -2.37 -21.25 8.59 2 0 1000.00 -999 ? >ASP.B 89 -4.60 -18.32 13.47 -6.30 -19.55 13.78 -5.45 -18.93 13.63 2 0 1000.00 -999 ? >ALA.B 90 -2.53 -21.52 16.46 -2.05 -22.96 16.23 -2.29 -22.24 16.34 2 0 1000.00 -999 ? >GLN^B 91 -0.34 -18.09 20.95 -1.07 -16.27 21.80 -0.71 -17.18 21.38 2 0 1000.00 -999 ? >PHE^B 92 0.50 -24.84 21.34 2.71 -26.09 20.12 1.61 -25.47 20.73 3 0 1000.00 -999 ? >ASN^B 93 2.13 -22.53 26.35 1.19 -22.99 28.18 1.66 -22.76 27.26 2 0 1000.00 -999 ? >ILE^B 94 3.59 -27.91 26.51 3.65 -29.11 25.72 3.62 -28.51 26.11 3 0 1000.00 -999 ? >ASN^B 95 1.79 -26.67 31.92 1.25 -24.66 31.46 1.52 -25.66 31.69 2 0 1000.00 -999 ? >PHE^B 96 6.42 -30.47 30.21 6.78 -30.23 27.45 6.60 -30.35 28.83 3 0 1000.00 -999 ? >TRP^B 97 0.80 -30.50 34.03 -0.88 -28.76 37.13 -0.04 -29.63 35.58 3 0 1000.00 -999 ? >SER^B 98 5.57 -34.01 37.63 7.78 -35.01 37.56 6.67 -34.51 37.59 2 0 1000.00 -999 ? >ASP.B 99 5.14 -35.91 41.79 5.44 -36.35 43.83 5.29 -36.13 42.81 2 0 1000.00 -999 ? >LEU.D 4 -15.82 -35.91 32.73 -17.09 -34.39 33.60 -16.46 -35.15 33.16 3 0 1000.00 -999 ? >ARG.D 5 -11.36 -38.26 38.13 -9.60 -40.06 39.87 -10.48 -39.16 39.00 2 0 1000.00 -999 ? >ILE.D 6 -16.69 -42.72 36.32 -17.51 -43.69 35.67 -17.10 -43.20 35.99 3 0 1000.00 -999 ? >PRO.D 7 -18.19 -38.72 39.63 -16.79 -40.44 39.68 -17.49 -39.58 39.65 3 0 1000.00 -999 ? >LYS.D 8 -15.51 -42.90 43.01 -14.05 -41.33 46.85 -14.78 -42.12 44.93 2 0 1000.00 -999 ? >ASN.D 9 -19.44 -42.05 45.62 -19.95 -40.26 44.59 -19.69 -41.15 45.11 2 0 1000.00 -999 ? >TRP.D 10 -21.05 -40.68 41.10 -22.56 -39.50 37.66 -21.81 -40.09 39.38 3 0 1000.00 -999 ? >THR^D 11 -22.08 -47.19 40.51 -23.22 -47.53 42.33 -22.65 -47.36 41.42 2 0 1000.00 -999 ? >ILE^D 12 -22.91 -50.37 36.88 -22.20 -51.08 35.82 -22.55 -50.72 36.35 3 0 1000.00 -999 ? >GLN^D 13 -28.15 -46.99 35.62 -29.45 -45.34 35.31 -28.80 -46.16 35.47 2 0 1000.00 -999 ? >ARG^D 14 -29.41 -48.80 31.59 -29.50 -46.99 29.10 -29.45 -47.89 30.35 2 0 1000.00 -999 ? >SER^D 15 -25.50 -52.86 31.82 -23.66 -53.30 33.37 -24.58 -53.08 32.60 2 0 1000.00 -999 ? >THR.D 16 -26.43 -53.86 28.26 -25.64 -52.35 26.86 -26.03 -53.11 27.56 2 0 1000.00 -999 ? >PRO.D 17 -27.89 -57.07 25.65 -26.21 -56.74 27.07 -27.05 -56.91 26.36 3 0 1000.00 -999 ? >PHE.D 18 -21.19 -59.39 25.15 -19.03 -59.41 26.92 -20.11 -59.40 26.04 3 0 1000.00 -999 ? >PHE.D 19 -25.25 -54.58 21.81 -27.43 -53.77 23.37 -26.34 -54.18 22.59 3 0 1000.00 -999 ? >THR.D 20 -22.19 -57.39 17.62 -22.33 -59.56 17.86 -22.26 -58.47 17.74 2 0 1000.00 -999 ? >LYS.D 21 -22.79 -56.40 13.99 -20.80 -60.89 11.66 -21.79 -58.65 12.82 2 0 1000.00 -999 ? >ASP.D 22 -25.21 -60.51 14.28 -23.21 -60.98 13.76 -24.21 -60.74 14.02 2 0 1000.00 -999 ? >ASN.D 23 -27.97 -58.90 17.88 -26.41 -59.08 19.33 -27.19 -58.99 18.61 2 0 1000.00 -999 ? >VAL.D 24 -26.71 -54.24 17.77 -25.35 -52.73 16.95 -26.03 -53.48 17.36 3 0 1000.00 -999 ? >PRO~D 25 -29.42 -52.44 20.49 -28.95 -52.11 18.34 -29.19 -52.28 19.42 3 0 1000.00 -999 ? >GLU~D 26 -30.95 -50.16 13.54 -32.37 -49.80 11.98 -31.66 -49.98 12.76 2 0 1000.00 -999 ? >ALA~D 27 -29.85 -46.42 18.12 -30.74 -46.51 19.36 -30.29 -46.47 18.74 2 0 1000.00 -999 ? >LEU~D 28 -25.65 -48.05 19.90 -25.94 -48.47 22.00 -25.80 -48.26 20.95 3 0 1000.00 -999 ? >LEU~D 29 -25.23 -47.88 14.55 -24.60 -49.95 14.53 -24.92 -48.92 14.54 3 0 1000.00 -999 ? >THR~D 30 -26.32 -43.37 15.17 -28.45 -43.72 15.20 -27.39 -43.54 15.18 2 0 1000.00 -999 ? >HIS.D 31 -25.10 -37.37 15.74 -25.17 -35.42 16.50 -25.14 -36.39 16.12 3 0 1000.00 -999 ? >HIS^D 32 -26.88 -41.93 20.71 -25.59 -43.34 21.57 -26.23 -42.64 21.14 3 0 1000.00 -999 ? >ASN^D 33 -26.16 -37.25 23.64 -28.18 -36.83 24.17 -27.17 -37.04 23.91 2 0 1000.00 -999 ? >THR.D 34 -26.00 -40.37 26.76 -23.94 -40.62 27.44 -24.97 -40.50 27.10 2 0 1000.00 -999 ? >ALA.D 35 -28.39 -39.68 29.63 -28.66 -40.67 30.77 -28.52 -40.17 30.20 2 0 1000.00 -999 ? >VAL.D 36 -28.46 -36.27 31.30 -30.55 -35.89 31.89 -29.51 -36.08 31.59 3 0 1000.00 -999 ? >ASP.D 37 -26.90 -37.01 35.50 -27.68 -35.04 35.42 -27.29 -36.03 35.46 2 0 1000.00 -999 ? >VAL.D 38 -24.88 -40.82 33.16 -26.25 -42.50 33.14 -25.56 -41.66 33.15 3 0 1000.00 -999 ? >PHE^D 39 -19.54 -40.93 33.38 -18.02 -38.66 33.94 -18.78 -39.80 33.66 3 0 1000.00 -999 ? >GLY^D 40 -21.34 -44.50 29.25 -20.61 -44.23 29.58 -20.98 -44.36 29.41 1 0 1000.00 -999 ? >GLN^D 41 -16.87 -48.38 30.95 -16.72 -49.70 32.61 -16.79 -49.04 31.78 2 0 1000.00 -999 ? >ILE^D 42 -17.95 -48.36 24.99 -18.60 -48.00 23.72 -18.27 -48.18 24.36 3 0 1000.00 -999 ? >CYH^D 43 -16.01 -52.34 26.78 -16.14 -52.21 29.58 -16.07 -52.27 28.18 2 0 1000.00 -999 ? >VAL^D 44 -14.72 -54.22 23.77 -14.31 -53.19 21.90 -14.52 -53.70 22.84 3 0 1000.00 -999 ? >MET?D 45 -14.42 -57.98 24.19 -14.39 -60.28 26.62 -14.41 -59.13 25.41 2 0 1000.00 -999 ? >GLU^D 46 -13.91 -60.34 18.68 -12.00 -61.17 18.31 -12.96 -60.76 18.50 2 0 1000.00 -999 ? >GLY.D 47 -12.74 -56.73 17.37 -12.59 -56.47 18.12 -12.66 -56.60 17.75 1 0 1000.00 -999 ? >VAL^D 48 -12.72 -52.99 17.14 -10.90 -52.04 16.33 -11.81 -52.51 16.74 3 0 1000.00 -999 ? >VAL^D 49 -15.11 -50.23 18.04 -16.85 -50.35 19.39 -15.98 -50.29 18.72 3 0 1000.00 -999 ? >THR^D 50 -14.40 -46.75 16.71 -13.33 -46.34 14.87 -13.86 -46.54 15.79 2 0 1000.00 -999 ? >TYR^D 51 -16.23 -42.82 21.05 -17.64 -41.09 22.72 -16.93 -41.96 21.88 3 0 1000.00 -999 ? >TYR^D 52 -16.48 -41.17 14.72 -15.11 -42.45 12.66 -15.79 -41.81 13.69 3 0 1000.00 -999 ? >GLY^D 53 -17.31 -37.58 19.51 -17.09 -37.40 18.73 -17.20 -37.49 19.12 1 0 1000.00 -999 ? >PHE^D 54 -20.01 -35.30 16.75 -19.74 -37.25 14.75 -19.88 -36.28 15.75 3 0 1000.00 -999 ? >ALA.D 55 -18.58 -30.84 20.50 -17.93 -29.58 19.94 -18.25 -30.21 20.22 2 0 1000.00 -999 ? >ASN.D 56 -22.77 -29.00 20.42 -22.11 -28.04 18.64 -22.44 -28.52 19.53 2 0 1000.00 -999 ? >SER.D 57 -25.49 -31.68 18.61 -27.34 -30.25 19.29 -26.42 -30.96 18.95 2 0 1000.00 -999 ? >GLU.D 58 -26.32 -27.22 15.74 -27.30 -27.01 17.61 -26.81 -27.11 16.67 2 0 1000.00 -999 ? >ALA.D 59 -21.20 -30.17 14.80 -20.16 -30.60 15.81 -20.68 -30.38 15.31 2 0 1000.00 -999 ? >THR.D 60 -20.84 -32.02 11.49 -21.60 -31.33 9.57 -21.22 -31.67 10.53 2 0 1000.00 -999 ? >GLU.D 61 -15.90 -32.30 9.94 -17.69 -31.93 8.86 -16.79 -32.12 9.40 2 0 1000.00 -999 ? >PRO.D 62 -15.11 -36.61 13.62 -16.16 -34.81 14.41 -15.63 -35.71 14.02 3 0 1000.00 -999 ? >GLU.D 63 -14.88 -33.05 19.90 -15.25 -31.74 21.52 -15.07 -32.39 20.71 2 0 1000.00 -999 ? >ILE^D 64 -12.60 -36.79 20.32 -12.87 -37.52 21.57 -12.74 -37.16 20.95 3 0 1000.00 -999 ? >LYS^D 65 -11.94 -40.13 17.35 -11.24 -43.07 11.81 -11.59 -41.60 14.58 2 0 1000.00 -999 ? >VAL^D 66 -10.94 -43.04 19.60 -10.96 -42.76 21.76 -10.95 -42.90 20.68 3 0 1000.00 -999 ? >VAL^D 67 -10.19 -46.60 18.48 -9.18 -47.23 16.65 -9.69 -46.92 17.57 3 0 1000.00 -999 ? >ILE^D 68 -12.51 -49.06 21.90 -13.36 -48.53 22.94 -12.94 -48.80 22.42 3 0 1000.00 -999 ? >ASN^D 69 -8.06 -52.75 20.66 -7.40 -51.82 18.86 -7.73 -52.28 19.76 2 0 1000.00 -999 ? >ALA.D 70 -10.43 -55.86 22.58 -10.28 -57.22 21.92 -10.35 -56.54 22.25 2 0 1000.00 -999 ? >GLY.D 71 -9.49 -55.76 26.27 -9.82 -55.09 25.91 -9.65 -55.43 26.09 1 0 1000.00 -999 ? >GLN^D 72 -7.85 -51.68 25.06 -6.75 -50.46 23.69 -7.30 -51.07 24.38 2 0 1000.00 -999 ? >PHE^D 73 -12.86 -49.51 29.83 -11.72 -48.51 32.19 -12.29 -49.01 31.01 3 0 1000.00 -999 ? >ALA^D 74 -13.59 -45.92 26.68 -13.40 -45.43 25.24 -13.49 -45.68 25.96 2 0 1000.00 -999 ? >THR^D 75 -16.05 -43.80 28.63 -15.01 -43.28 30.44 -15.53 -43.54 29.53 2 0 1000.00 -999 ? >SER^D 76 -18.61 -41.33 27.34 -20.14 -40.94 25.49 -19.37 -41.13 26.42 2 0 1000.00 -999 ? >PRO.D 77 -17.96 -37.08 28.03 -18.98 -38.75 29.09 -18.47 -37.91 28.56 3 0 1000.00 -999 ? >PRO.D 78 -21.91 -36.49 32.46 -22.15 -37.52 30.49 -22.03 -37.00 31.47 3 0 1000.00 -999 ? >GLN.D 79 -26.00 -34.23 29.48 -26.28 -32.40 30.54 -26.14 -33.31 30.01 2 0 1000.00 -999 ? >TYR.D 80 -19.38 -35.99 24.55 -17.45 -35.39 22.63 -18.41 -35.69 23.59 3 0 1000.00 -999 ? >TRP^D 81 -24.68 -33.74 22.03 -28.05 -35.12 20.50 -26.37 -34.43 21.26 3 0 1000.00 -999 ? >HIS^D 82 -21.13 -41.08 21.75 -22.25 -42.14 23.16 -21.69 -41.61 22.46 3 0 1000.00 -999 ? >ARG^D 83 -22.36 -42.05 13.53 -19.72 -42.52 12.03 -21.04 -42.29 12.78 2 0 1000.00 -999 ? >ILE^D 84 -19.75 -46.58 18.45 -20.26 -47.06 19.67 -20.00 -46.82 19.06 3 0 1000.00 -999 ? >GLU^D 85 -18.57 -46.06 12.52 -17.58 -45.30 10.80 -18.07 -45.68 11.66 2 0 1000.00 -999 ? >LEU^D 86 -19.07 -52.44 15.37 -20.58 -51.87 16.80 -19.83 -52.16 16.08 3 0 1000.00 -999 ? >SER.D 87 -15.59 -53.87 12.83 -14.35 -55.02 14.57 -14.97 -54.44 13.70 2 0 1000.00 -999 ? >ASP.D 88 -16.97 -57.72 10.11 -17.11 -56.38 8.49 -17.04 -57.05 9.30 2 0 1000.00 -999 ? >ASP.D 89 -14.66 -59.77 14.36 -13.02 -58.39 14.43 -13.84 -59.08 14.40 2 0 1000.00 -999 ? >ALA.D 90 -16.82 -56.52 17.13 -17.28 -55.08 16.89 -17.05 -55.80 17.01 2 0 1000.00 -999 ? >GLN^D 91 -18.81 -59.65 21.96 -18.20 -61.51 22.83 -18.51 -60.58 22.39 2 0 1000.00 -999 ? >PHE^D 92 -19.75 -53.03 21.85 -21.93 -51.89 20.52 -20.84 -52.46 21.19 3 0 1000.00 -999 ? >ASN^D 93 -21.43 -55.12 27.00 -20.69 -54.49 28.90 -21.06 -54.80 27.95 2 0 1000.00 -999 ? >ILE^D 94 -22.70 -49.66 26.95 -22.82 -48.59 26.09 -22.76 -49.13 26.52 3 0 1000.00 -999 ? >ASN^D 95 -21.01 -50.63 32.35 -20.39 -52.65 31.96 -20.70 -51.64 32.15 2 0 1000.00 -999 ? >PHE^D 96 -25.62 -47.05 30.61 -25.95 -47.37 27.84 -25.79 -47.21 29.22 3 0 1000.00 -999 ? >TRP^D 97 -20.12 -46.79 34.48 -18.51 -48.46 37.65 -19.32 -47.63 36.06 3 0 1000.00 -999 ? >SER^D 98 -24.91 -42.78 37.67 -26.99 -43.90 37.11 -25.95 -43.34 37.39 2 0 1000.00 -999 ? >ASP.D 99 -26.88 -43.54 41.55 -27.86 -43.58 43.43 -27.37 -43.56 42.49 2 0 1000.00 -999 ? >SER.E 2 -14.68 -15.19 24.68 -15.16 -15.28 22.31 -14.92 -15.24 23.49 2 0 1000.00 -999 ? >HIS.E 3 -10.16 -17.31 26.09 -9.11 -18.17 24.49 -9.64 -17.74 25.29 3 0 1000.00 -999 ? >LEU.E 4 -8.55 -11.54 27.51 -9.60 -9.82 28.30 -9.07 -10.68 27.90 3 0 1000.00 -999 ? >ARG.E 5 -6.57 -11.13 22.18 -8.76 -9.37 23.40 -7.66 -10.25 22.79 2 0 1000.00 -999 ? >ILE.E 6 -2.05 -14.57 27.32 -1.74 -14.99 28.70 -1.90 -14.78 28.01 3 0 1000.00 -999 ? >PRO.E 7 -0.54 -9.82 24.98 -0.47 -12.00 24.54 -0.50 -10.91 24.76 3 0 1000.00 -999 ? >LYS.E 8 2.51 -14.24 22.33 -0.55 -15.26 18.24 0.98 -14.75 20.28 2 0 1000.00 -999 ? >ASN.E 9 6.09 -11.43 23.84 4.79 -9.89 24.51 5.44 -10.66 24.18 2 0 1000.00 -999 ? >TRP.E 10 2.73 -10.71 27.10 0.82 -9.31 30.26 1.77 -10.01 28.68 3 0 1000.00 -999 ? >THR^E 11 5.60 -16.19 29.81 7.70 -15.68 29.56 6.65 -15.93 29.69 2 0 1000.00 -999 ? >ILE^E 12 4.13 -19.60 32.95 3.12 -20.64 33.07 3.62 -20.12 33.01 3 0 1000.00 -999 ? >GLN^E 13 6.99 -14.15 36.38 7.62 -13.80 34.38 7.31 -13.97 35.38 2 0 1000.00 -999 ? >ARG^E 14 4.43 -17.61 42.36 2.15 -18.82 44.02 3.29 -18.22 43.19 2 0 1000.00 -999 ? >SER^E 15 1.89 -21.50 38.80 2.29 -22.00 36.45 2.09 -21.75 37.62 2 0 1000.00 -999 ? >THR.E 16 -0.15 -22.61 41.80 -2.08 -21.65 41.72 -1.12 -22.13 41.76 2 0 1000.00 -999 ? >PRO.E 17 -0.52 -25.76 44.89 -0.52 -25.60 42.68 -0.52 -25.68 43.78 3 0 1000.00 -999 ? >PHE.E 18 -4.04 -29.97 40.53 -3.66 -30.75 37.87 -3.85 -30.36 39.20 3 0 1000.00 -999 ? >PHE.E 19 -5.83 -24.41 44.91 -3.64 -22.82 45.62 -4.73 -23.62 45.26 3 0 1000.00 -999 ? >THR.E 20 -10.03 -28.28 45.72 -9.24 -30.20 46.29 -9.64 -29.24 46.00 2 0 1000.00 -999 ? >LYS.E 21 -13.09 -27.24 47.74 -18.28 -25.68 47.57 -15.68 -26.46 47.66 2 0 1000.00 -999 ? >ASP.E 22 -11.15 -29.59 51.41 -9.84 -30.84 50.31 -10.50 -30.22 50.86 2 0 1000.00 -999 ? >ASN.E 23 -6.62 -27.57 50.01 -6.12 -27.72 47.95 -6.37 -27.64 48.98 2 0 1000.00 -999 ? >VAL.E 24 -8.41 -23.46 48.19 -10.20 -22.69 47.21 -9.30 -23.08 47.70 3 0 1000.00 -999 ? >PRO.E 25 -5.93 -19.97 47.64 -7.27 -20.73 49.25 -6.60 -20.35 48.45 3 0 1000.00 -999 ? >GLU.E 26 -9.18 -17.20 53.22 -8.19 -18.82 54.18 -8.68 -18.01 53.70 2 0 1000.00 -999 ? >ALA.E 27 -8.43 -15.06 49.02 -6.93 -14.82 48.88 -7.68 -14.94 48.95 2 0 1000.00 -999 ? >LEU.E 28 -9.09 -17.93 45.14 -7.27 -18.17 43.98 -8.18 -18.05 44.56 3 0 1000.00 -999 ? >LEU.E 29 -13.53 -17.88 48.14 -12.62 -19.71 47.40 -13.07 -18.80 47.77 3 0 1000.00 -999 ? >THR.E 30 -13.17 -13.18 47.65 -12.30 -12.03 49.28 -12.74 -12.61 48.47 2 0 1000.00 -999 ? >HIS.E 31 -14.49 -8.48 45.51 -16.55 -8.41 45.13 -15.52 -8.44 45.32 3 0 1000.00 -999 ? >HIS.E 32 -8.61 -12.60 43.94 -9.23 -14.26 42.82 -8.92 -13.43 43.38 3 0 1000.00 -999 ? >ASN^E 33 -7.09 -7.63 40.86 -5.71 -6.43 41.98 -6.40 -7.03 41.42 2 0 1000.00 -999 ? >THR^E 34 -3.70 -9.98 39.46 -4.23 -10.87 37.58 -3.96 -10.42 38.52 2 0 1000.00 -999 ? >ALA.E 35 -0.61 -7.76 39.74 0.80 -8.29 40.06 0.09 -8.03 39.90 2 0 1000.00 -999 ? >VAL.E 36 0.49 -4.90 37.46 1.70 -3.23 38.10 1.10 -4.06 37.78 3 0 1000.00 -999 ? >ASP.E 37 3.13 -6.55 34.01 3.22 -4.57 33.25 3.18 -5.56 33.63 2 0 1000.00 -999 ? >VAL^E 38 0.29 -10.36 35.27 1.00 -11.42 37.01 0.65 -10.89 36.14 3 0 1000.00 -999 ? >PHE^E 39 -3.24 -11.89 30.97 -5.32 -10.86 29.39 -4.28 -11.38 30.18 3 0 1000.00 -999 ? >GLY^E 40 -4.10 -15.03 35.26 -4.29 -14.89 34.47 -4.19 -14.96 34.87 1 0 1000.00 -999 ? >GLN^E 41 -4.61 -19.97 31.68 -3.25 -20.81 30.27 -3.93 -20.39 30.97 2 0 1000.00 -999 ? >ILE^E 42 -8.76 -19.87 36.23 -9.45 -19.27 37.22 -9.10 -19.57 36.72 3 0 1000.00 -999 ? >CYH^E 43 -7.45 -24.03 34.17 -5.04 -23.52 32.83 -6.24 -23.78 33.50 2 0 1000.00 -999 ? >VAL^E 44 -10.11 -26.59 35.23 -12.18 -26.08 35.72 -11.15 -26.34 35.48 3 0 1000.00 -999 ? >MET?E 45 -9.20 -30.30 35.55 -6.38 -32.26 34.55 -7.79 -31.28 35.05 2 0 1000.00 -999 ? >GLU^E 46 -11.46 -33.85 37.58 -12.74 -34.96 36.28 -12.10 -34.41 36.93 2 0 1000.00 -999 ? >GLY.E 47 -15.70 -29.93 38.27 -15.35 -29.74 37.59 -15.52 -29.83 37.93 1 0 1000.00 -999 ? >VAL^E 48 -16.90 -26.43 37.54 -18.83 -26.20 36.58 -17.87 -26.32 37.06 3 0 1000.00 -999 ? >VAL^E 49 -15.42 -23.09 38.51 -13.33 -22.79 39.06 -14.37 -22.94 38.78 3 0 1000.00 -999 ? >THR^E 50 -17.59 -20.01 38.09 -19.41 -20.41 39.23 -18.50 -20.21 38.66 2 0 1000.00 -999 ? >TYR^E 51 -13.95 -15.43 36.17 -12.27 -13.23 35.92 -13.11 -14.33 36.04 3 0 1000.00 -999 ? >TYR^E 52 -18.97 -14.39 40.18 -21.06 -16.23 40.48 -20.01 -15.31 40.33 3 0 1000.00 -999 ? >GLY^E 53 -15.67 -10.07 37.54 -16.47 -10.02 37.83 -16.07 -10.05 37.69 1 0 1000.00 -999 ? >PHE.E 54 -16.54 -7.61 41.10 -17.36 -9.98 42.36 -16.95 -8.79 41.73 3 0 1000.00 -999 ? >ALA.E 55 -15.89 -3.09 37.26 -17.03 -2.07 37.17 -16.46 -2.58 37.21 2 0 1000.00 -999 ? >ASN.E 56 -13.61 -0.60 40.21 -15.46 0.13 40.95 -14.53 -0.23 40.58 2 0 1000.00 -999 ? >SER.E 57 -12.49 -2.89 43.68 -11.21 -0.94 44.40 -11.85 -1.92 44.04 2 0 1000.00 -999 ? >GLU.E 58 -14.27 0.88 45.65 -13.45 -0.02 47.38 -13.86 0.43 46.51 2 0 1000.00 -999 ? >ALA.E 59 -18.13 -3.03 42.87 -17.91 -3.42 41.42 -18.02 -3.22 42.14 2 0 1000.00 -999 ? >THR.E 60 -20.64 -5.31 44.58 -22.47 -4.85 45.67 -21.55 -5.08 45.13 2 0 1000.00 -999 ? >GLU.E 61 -24.65 -6.50 39.99 -26.04 -7.85 40.83 -25.35 -7.18 40.41 2 0 1000.00 -999 ? >PRO.E 62 -21.65 -10.35 39.63 -20.87 -8.26 39.57 -21.26 -9.31 39.60 3 0 1000.00 -999 ? >GLU.E 63 -18.08 -6.26 34.96 -16.98 -4.67 34.15 -17.53 -5.47 34.55 2 0 1000.00 -999 ? >ILE^E 64 -17.96 -10.50 33.22 -16.67 -11.04 32.78 -17.31 -10.77 33.00 3 0 1000.00 -999 ? >LYS^E 65 -19.90 -14.26 34.87 -24.24 -17.58 38.15 -22.07 -15.92 36.51 2 0 1000.00 -999 ? >VAL^E 66 -18.28 -17.25 33.17 -16.79 -16.83 31.64 -17.54 -17.04 32.41 3 0 1000.00 -999 ? >VAL^E 67 -18.58 -20.94 33.98 -20.60 -21.49 33.40 -19.59 -21.21 33.69 3 0 1000.00 -999 ? >ILE^E 68 -14.07 -22.39 33.91 -12.96 -21.58 33.89 -13.51 -21.99 33.90 3 0 1000.00 -999 ? >ASN^E 69 -16.56 -27.31 31.89 -18.45 -26.37 31.97 -17.51 -26.84 31.93 2 0 1000.00 -999 ? >ALA.E 70 -12.92 -29.41 32.94 -13.18 -30.84 33.38 -13.05 -30.13 33.16 2 0 1000.00 -999 ? >GLY.E 71 -10.66 -29.32 29.91 -10.90 -28.63 30.31 -10.78 -28.98 30.11 1 0 1000.00 -999 ? >GLN.E 72 -13.61 -25.86 28.72 -15.65 -25.13 28.71 -14.63 -25.49 28.71 2 0 1000.00 -999 ? >PHE^E 73 -7.51 -21.95 29.49 -6.48 -21.03 27.04 -6.99 -21.49 28.26 3 0 1000.00 -999 ? >ALA^E 74 -10.40 -18.69 31.38 -11.53 -18.32 32.30 -10.97 -18.51 31.84 2 0 1000.00 -999 ? >THR^E 75 -8.08 -15.69 31.64 -7.52 -15.61 29.56 -7.80 -15.65 30.60 2 0 1000.00 -999 ? >SER^E 76 -8.08 -12.67 33.92 -9.00 -12.14 36.09 -8.54 -12.41 35.00 2 0 1000.00 -999 ? >PRO.E 77 -8.73 -8.57 32.61 -6.99 -9.93 32.93 -7.86 -9.25 32.77 3 0 1000.00 -999 ? >PRO.E 78 -2.57 -7.65 32.98 -4.34 -7.75 34.32 -3.46 -7.70 33.65 3 0 1000.00 -999 ? >GLN.E 79 -3.44 -4.22 37.71 -2.64 -2.26 37.84 -3.04 -3.24 37.77 2 0 1000.00 -999 ? >TYR.E 80 -10.91 -7.48 35.52 -13.69 -7.37 35.13 -12.30 -7.43 35.32 3 0 1000.00 -999 ? >TRP.E 81 -10.00 -4.45 41.29 -8.48 -5.77 44.67 -9.24 -5.11 42.98 3 0 1000.00 -999 ? >HIS^E 82 -11.02 -12.17 39.24 -9.01 -12.77 39.22 -10.02 -12.47 39.23 3 0 1000.00 -999 ? >ARG^E 83 -17.06 -13.31 44.69 -19.61 -14.97 44.14 -18.33 -14.14 44.41 2 0 1000.00 -999 ? >ILE^E 84 -13.25 -18.34 41.38 -11.90 -18.60 41.21 -12.58 -18.47 41.29 3 0 1000.00 -999 ? >GLU^E 85 -18.89 -18.68 43.82 -21.01 -18.48 43.69 -19.95 -18.58 43.75 2 0 1000.00 -999 ? >LEU^E 86 -14.88 -24.42 44.02 -12.85 -23.69 43.97 -13.87 -24.05 44.00 3 0 1000.00 -999 ? >SER.E 87 -18.29 -26.94 42.83 -17.38 -28.09 40.87 -17.83 -27.52 41.85 2 0 1000.00 -999 ? >ASP.E 88 -19.15 -30.68 45.83 -20.34 -29.65 47.26 -19.75 -30.17 46.55 2 0 1000.00 -999 ? >ASP.E 89 -16.55 -32.78 41.94 -17.70 -31.92 40.40 -17.13 -32.35 41.17 2 0 1000.00 -999 ? >ALA.E 90 -13.84 -28.87 41.32 -14.18 -27.38 41.47 -14.01 -28.12 41.40 2 0 1000.00 -999 ? >GLN^E 91 -8.14 -30.82 40.53 -7.47 -32.85 40.44 -7.80 -31.83 40.48 2 0 1000.00 -999 ? >PHE^E 92 -9.25 -24.20 40.26 -9.31 -22.60 42.55 -9.28 -23.40 41.41 3 0 1000.00 -999 ? >ASN^E 93 -3.82 -25.33 38.80 -2.84 -24.74 37.00 -3.33 -25.04 37.90 2 0 1000.00 -999 ? >ILE^E 94 -4.16 -19.84 39.05 -5.11 -18.78 39.38 -4.63 -19.31 39.21 3 0 1000.00 -999 ? >ASN^E 95 -0.74 -20.53 34.48 -0.60 -22.62 34.61 -0.67 -21.58 34.55 2 0 1000.00 -999 ? >PHE^E 96 -0.05 -15.99 38.62 -2.05 -16.26 40.55 -1.05 -16.13 39.58 3 0 1000.00 -999 ? >TRP^E 97 -0.36 -17.25 31.89 1.73 -18.95 29.04 0.69 -18.10 30.46 3 0 1000.00 -999 ? >SER^E 98 3.84 -11.81 32.60 4.93 -10.07 33.80 4.38 -10.94 33.20 2 0 1000.00 -999 ? >ASP.E 99 4.59 -7.97 29.98 4.63 -7.26 28.01 4.61 -7.62 29.00 2 0 1000.00 -999 ? >GLN.E 100 8.16 -6.40 31.81 7.53 -4.53 32.61 7.84 -5.46 32.21 2 0 1000.00 -999 ? >ASP.E 101 11.76 -10.81 35.16 12.45 -12.18 36.60 12.10 -11.50 35.88 2 0 1000.00 -999 ? >LYS.E 102 8.32 -10.99 38.31 4.57 -7.47 38.80 6.45 -9.23 38.56 2 0 1000.00 -999 ? >SER.E 103 10.86 -13.22 40.08 11.82 -14.59 38.31 11.34 -13.91 39.19 2 0 1000.00 -999 ? >GLY.E 104 10.69 -11.56 43.48 9.98 -11.53 43.07 10.33 -11.55 43.28 1 0 1000.00 -999 ? >LYS.E 105 7.51 -9.53 43.03 7.08 -5.00 39.24 7.29 -7.27 41.13 2 0 1000.00 -999 ? >LYS.E 106 3.85 -10.34 43.77 0.77 -5.24 45.87 2.31 -7.79 44.82 2 0 1000.00 -999 ? >MET?E 107 1.13 -11.91 41.60 3.49 -13.78 39.70 2.31 -12.84 40.65 2 0 1000.00 -999 ? >PHE^E 108 -2.66 -12.71 44.52 -1.99 -14.38 46.69 -2.33 -13.55 45.61 3 0 1000.00 -999 ? >ASN^E 109 -3.94 -6.76 45.29 -2.14 -5.79 44.69 -3.04 -6.28 44.99 2 0 1000.00 -999 ? >THR.E 110 -6.78 -8.72 47.95 -6.62 -10.00 49.69 -6.70 -9.36 48.82 2 0 1000.00 -999 ? >LYS.E 111 -7.77 -5.65 49.98 -3.89 -1.31 50.62 -5.83 -3.48 50.30 2 0 1000.00 -999 ? >ILE.G 6 -24.15 16.24 34.60 -23.47 16.94 35.70 -23.81 16.59 35.15 3 0 1000.00 -999 ? >PRO.G 7 -27.59 13.02 36.26 -27.58 14.12 34.33 -27.59 13.57 35.30 3 0 1000.00 -999 ? >LYS.G 8 -30.67 17.11 34.04 -31.90 13.13 30.10 -31.28 15.12 32.07 2 0 1000.00 -999 ? >ASN.G 9 -33.07 15.32 37.81 -32.07 13.44 37.72 -32.57 14.38 37.77 2 0 1000.00 -999 ? >TRP.G 10 -28.89 13.57 39.31 -25.45 11.74 39.87 -27.17 12.65 39.59 3 0 1000.00 -999 ? >THR^G 11 -27.76 19.63 41.41 -28.73 20.29 43.25 -28.24 19.96 42.33 2 0 1000.00 -999 ? >ILE^G 12 -23.84 22.39 42.37 -22.82 23.15 41.67 -23.33 22.77 42.02 3 0 1000.00 -999 ? >GLN^G 13 -24.82 17.39 46.89 -26.44 17.61 45.50 -25.63 17.50 46.19 2 0 1000.00 -999 ? >ARG^G 14 -18.53 21.89 49.33 -16.77 20.39 51.35 -17.65 21.14 50.34 2 0 1000.00 -999 ? >SER^G 15 -18.18 23.82 44.98 -19.81 24.76 43.44 -18.99 24.29 44.21 2 0 1000.00 -999 ? >THR.G 16 -14.51 24.38 45.70 -13.32 22.92 44.60 -13.92 23.65 45.15 2 0 1000.00 -999 ? >PRO.G 17 -11.56 27.06 47.52 -13.06 27.12 45.88 -12.31 27.09 46.70 3 0 1000.00 -999 ? >PHE.G 18 -11.26 30.77 41.44 -13.00 31.62 39.41 -12.13 31.19 40.42 3 0 1000.00 -999 ? >PHE.G 19 -8.16 24.70 43.75 -9.76 23.47 45.69 -8.96 24.08 44.72 3 0 1000.00 -999 ? >THR.G 20 -4.02 28.08 41.26 -4.16 30.09 42.07 -4.09 29.08 41.67 2 0 1000.00 -999 ? >LYS.G 21 -0.43 26.89 40.87 3.09 25.30 37.08 1.33 26.10 38.97 2 0 1000.00 -999 ? >ASP.G 22 0.19 29.80 44.63 1.81 30.72 43.63 1.00 30.26 44.13 2 0 1000.00 -999 ? >ASN.G 23 -3.69 27.74 46.96 -5.49 27.98 45.84 -4.59 27.86 46.40 2 0 1000.00 -999 ? >VAL.G 24 -4.05 23.70 44.44 -3.45 22.64 42.60 -3.75 23.17 43.52 3 0 1000.00 -999 ? >PRO~G 25 -6.47 20.67 46.39 -4.32 21.26 46.40 -5.40 20.96 46.40 3 0 1000.00 -999 ? >GLU~G 26 -1.20 16.82 48.42 0.26 16.46 49.93 -0.47 16.64 49.18 2 0 1000.00 -999 ? >ALA~G 27 -4.57 15.44 46.07 -5.76 15.48 47.02 -5.16 15.46 46.55 2 0 1000.00 -999 ? >LEU~G 28 -6.14 18.16 42.39 -8.10 18.78 43.06 -7.12 18.47 42.73 3 0 1000.00 -999 ? >LEU~G 29 -0.86 17.04 41.80 -0.85 19.20 41.75 -0.85 18.12 41.77 3 0 1000.00 -999 ? >THR.G 30 -2.17 12.50 41.90 -1.11 12.40 43.79 -1.64 12.45 42.84 2 0 1000.00 -999 ? >HIS.G 31 -3.16 7.77 40.32 -1.82 7.29 38.78 -2.49 7.53 39.55 3 0 1000.00 -999 ? >HIS.G 32 -8.31 12.90 42.50 -8.65 14.45 41.13 -8.48 13.68 41.82 3 0 1000.00 -999 ? >ASN.G 33 -12.04 8.56 41.58 -12.20 7.40 43.36 -12.12 7.98 42.47 2 0 1000.00 -999 ? >THR.G 34 -15.23 11.14 42.94 -16.05 12.16 41.20 -15.64 11.65 42.07 2 0 1000.00 -999 ? >ALA.G 35 -17.82 9.30 45.03 -18.80 9.95 46.01 -18.31 9.62 45.52 2 0 1000.00 -999 ? >VAL.G 36 -19.82 6.45 43.48 -21.02 4.80 44.24 -20.42 5.63 43.86 3 0 1000.00 -999 ? >ASP.G 37 -23.93 8.51 43.44 -25.70 9.02 42.40 -24.82 8.77 42.92 2 0 1000.00 -999 ? >VAL^G 38 -20.89 12.17 42.12 -20.14 13.27 43.86 -20.51 12.72 42.99 3 0 1000.00 -999 ? >PHE^G 39 -21.44 13.45 36.91 -22.06 11.49 35.01 -21.75 12.47 35.96 3 0 1000.00 -999 ? >GLY^G 40 -17.01 16.36 39.06 -17.39 16.21 38.31 -17.20 16.29 38.69 1 0 1000.00 -999 ? >GLN^G 41 -18.42 21.07 35.38 -20.10 22.38 35.57 -19.26 21.72 35.48 2 0 1000.00 -999 ? >ILE^G 42 -12.40 20.33 35.83 -11.07 19.78 36.20 -11.73 20.05 36.01 3 0 1000.00 -999 ? >CYH^G 43 -14.23 24.70 34.97 -17.02 24.70 35.42 -15.63 24.70 35.20 2 0 1000.00 -999 ? >VAL^G 44 -11.21 26.68 33.78 -9.39 25.76 32.94 -10.30 26.22 33.36 3 0 1000.00 -999 ? >MET?G 45 -11.34 30.50 33.91 -13.55 29.13 36.20 -12.44 29.81 35.06 2 0 1000.00 -999 ? >GLU^G 46 -6.21 33.21 33.20 -6.24 35.24 33.87 -6.23 34.22 33.53 2 0 1000.00 -999 ? >GLY.G 47 -4.75 29.22 31.70 -5.51 29.02 31.45 -5.13 29.12 31.58 1 0 1000.00 -999 ? >VAL^G 48 -4.67 25.54 30.88 -3.91 24.98 28.92 -4.29 25.26 29.90 3 0 1000.00 -999 ? >VAL^G 49 -5.53 22.47 32.89 -6.74 22.42 34.70 -6.14 22.45 33.79 3 0 1000.00 -999 ? >THR^G 50 -4.47 19.08 31.59 -2.70 18.71 30.42 -3.59 18.90 31.00 2 0 1000.00 -999 ? >TYR^G 51 -9.09 15.16 32.78 -10.74 13.21 33.92 -9.91 14.19 33.35 3 0 1000.00 -999 ? >TYR^G 52 -2.81 13.20 32.54 -0.84 14.74 31.26 -1.83 13.97 31.90 3 0 1000.00 -999 ? >GLY^G 53 -7.77 9.76 32.99 -6.99 9.58 32.72 -7.38 9.67 32.86 1 0 1000.00 -999 ? >PHE.G 54 -4.93 7.05 35.31 -2.88 8.97 35.35 -3.90 8.01 35.33 3 0 1000.00 -999 ? >ALA.G 55 -8.53 2.79 33.47 -7.88 1.71 32.62 -8.21 2.25 33.05 2 0 1000.00 -999 ? >ASN.G 56 -8.10 0.31 37.25 -6.03 -0.24 37.22 -7.06 0.03 37.24 2 0 1000.00 -999 ? >SER.G 57 -6.87 2.77 40.55 -8.73 2.35 42.08 -7.80 2.56 41.31 2 0 1000.00 -999 ? >GLU.G 58 -3.84 -0.57 41.75 -5.39 -1.99 41.44 -4.61 -1.28 41.60 2 0 1000.00 -999 ? >ALA.G 59 -3.13 2.23 36.30 -4.26 2.74 35.42 -3.69 2.49 35.86 2 0 1000.00 -999 ? >THR.G 60 0.25 3.78 35.53 1.91 2.62 34.74 1.08 3.20 35.14 2 0 1000.00 -999 ? >GLU.G 61 1.62 4.33 31.12 2.74 6.11 31.40 2.18 5.22 31.26 2 0 1000.00 -999 ? >PRO.G 62 -2.13 9.12 31.65 -2.92 7.10 31.20 -2.52 8.11 31.43 3 0 1000.00 -999 ? >GLU.G 63 -8.49 5.69 29.80 -9.91 4.24 30.40 -9.20 4.96 30.10 2 0 1000.00 -999 ? >ILE^G 64 -8.81 9.81 28.25 -9.95 10.56 28.72 -9.38 10.18 28.49 3 0 1000.00 -999 ? >LYS^G 65 -5.62 13.07 27.92 0.23 15.45 26.99 -2.70 14.26 27.45 2 0 1000.00 -999 ? >VAL^G 66 -7.59 16.28 27.54 -9.74 15.95 27.45 -8.67 16.11 27.50 3 0 1000.00 -999 ? >VAL^G 67 -6.53 19.93 27.52 -5.44 20.26 25.64 -5.98 20.10 26.58 3 0 1000.00 -999 ? >ILE^G 68 -9.64 21.90 30.59 -10.53 21.19 31.41 -10.08 21.55 31.00 3 0 1000.00 -999 ? >ASN^G 69 -8.60 26.36 26.78 -7.14 25.22 25.74 -7.87 25.79 26.26 2 0 1000.00 -999 ? >ALA.G 70 -10.28 29.10 29.74 -9.60 30.44 29.74 -9.94 29.77 29.74 2 0 1000.00 -999 ? >GLY.G 71 -13.97 29.11 29.05 -13.59 28.38 29.23 -13.78 28.74 29.14 1 0 1000.00 -999 ? >GLN^G 72 -13.13 25.29 26.74 -11.97 24.15 25.35 -12.55 24.72 26.04 2 0 1000.00 -999 ? >PHE^G 73 -17.64 22.65 31.84 -20.18 22.00 30.85 -18.91 22.33 31.35 3 0 1000.00 -999 ? >ALA^G 74 -14.73 18.87 31.65 -13.32 18.32 31.48 -14.03 18.59 31.56 2 0 1000.00 -999 ? >THR^G 75 -16.86 16.31 33.47 -18.52 15.08 32.80 -17.69 15.70 33.14 2 0 1000.00 -999 ? >SER^G 76 -15.56 13.45 35.56 -13.29 13.15 36.38 -14.42 13.30 35.97 2 0 1000.00 -999 ? >PRO.G 77 -16.57 9.41 34.36 -17.42 10.94 35.71 -17.00 10.18 35.04 3 0 1000.00 -999 ? >PRO.G 78 -20.76 9.23 39.02 -18.57 9.10 38.68 -19.67 9.17 38.85 3 0 1000.00 -999 ? >GLN.G 79 -16.80 5.29 42.28 -17.18 3.24 42.72 -16.99 4.26 42.50 2 0 1000.00 -999 ? >TYR.G 80 -12.97 8.05 35.12 -11.07 7.91 33.06 -12.02 7.98 34.09 3 0 1000.00 -999 ? >TRP.G 81 -10.30 4.87 40.08 -8.67 6.09 43.44 -9.49 5.48 41.76 3 0 1000.00 -999 ? >HIS^G 82 -9.77 12.25 37.35 -10.90 13.49 38.62 -10.34 12.87 37.98 3 0 1000.00 -999 ? >ARG^G 83 -1.67 12.29 37.57 0.24 13.26 35.35 -0.72 12.78 36.46 2 0 1000.00 -999 ? >ILE^G 84 -5.86 18.04 36.97 -7.00 18.50 37.73 -6.43 18.27 37.35 3 0 1000.00 -999 ? >GLU^G 85 0.05 17.49 35.18 1.33 16.76 33.67 0.69 17.12 34.43 2 0 1000.00 -999 ? >LEU^G 86 -2.33 23.72 36.81 -3.35 22.99 38.59 -2.84 23.35 37.70 3 0 1000.00 -999 ? >SER.G 87 0.00 25.66 33.61 -1.73 27.18 32.84 -0.87 26.42 33.22 2 0 1000.00 -999 ? >ASP.G 88 2.94 29.17 35.29 3.38 30.72 36.67 3.16 29.95 35.98 2 0 1000.00 -999 ? >ASP.G 89 -1.14 31.87 33.97 -1.82 31.09 32.11 -1.48 31.48 33.04 2 0 1000.00 -999 ? >ALA.G 90 -4.00 28.28 35.60 -3.77 26.78 35.62 -3.89 27.53 35.61 2 0 1000.00 -999 ? >GLN^G 91 -8.46 31.09 38.63 -8.79 33.19 38.84 -8.62 32.14 38.73 2 0 1000.00 -999 ? >PHE^G 92 -8.75 24.55 38.06 -7.31 23.00 39.90 -8.03 23.78 38.98 3 0 1000.00 -999 ? >ASN^G 93 -13.55 26.48 40.71 -15.51 26.26 39.87 -14.53 26.37 40.29 2 0 1000.00 -999 ? >ILE^G 94 -13.77 20.97 41.15 -13.02 19.74 40.93 -13.40 20.35 41.04 3 0 1000.00 -999 ? >ASN^G 95 -19.30 22.48 40.24 -18.85 24.53 39.92 -19.08 23.51 40.08 2 0 1000.00 -999 ? >PHE^G 96 -17.49 17.83 43.95 -14.70 17.72 44.02 -16.10 17.77 43.99 3 0 1000.00 -999 ? >TRP^G 97 -21.58 18.90 38.74 -24.72 21.09 37.87 -23.15 19.99 38.31 3 0 1000.00 -999 ? >SER^G 98 -25.02 14.53 42.89 -24.70 13.08 44.82 -24.86 13.81 43.85 2 0 1000.00 -999 ? >ASP.G 99 -28.97 11.85 42.92 -31.06 11.55 42.84 -30.01 11.70 42.88 2 0 1000.00 -999 ? >ARG.H 5 -22.28 14.91 19.16 -21.80 17.59 17.76 -22.04 16.25 18.46 2 0 1000.00 -999 ? >ILE.H 6 -24.32 8.55 16.47 -23.48 7.86 15.53 -23.90 8.20 16.00 3 0 1000.00 -999 ? >PRO.H 7 -27.98 11.87 14.98 -27.98 10.52 16.76 -27.98 11.19 15.87 3 0 1000.00 -999 ? >LYS.H 8 -31.12 7.52 16.92 -34.97 10.42 19.92 -33.04 8.97 18.42 2 0 1000.00 -999 ? >ASN.H 9 -33.12 9.44 13.01 -32.15 11.28 13.47 -32.63 10.36 13.24 2 0 1000.00 -999 ? >TRP.H 10 -28.88 10.93 12.06 -25.51 12.78 11.23 -27.19 11.86 11.65 3 0 1000.00 -999 ? >THR^H 11 -27.79 4.92 9.74 -28.76 4.45 7.87 -28.27 4.69 8.81 2 0 1000.00 -999 ? >ILE^H 12 -23.81 2.20 8.94 -22.78 1.41 9.60 -23.30 1.80 9.27 3 0 1000.00 -999 ? >GLN^H 13 -24.92 7.16 5.24 -26.85 6.39 4.72 -25.88 6.77 4.98 2 0 1000.00 -999 ? >ARG^H 14 -19.19 4.35 1.14 -21.38 4.44 -1.00 -20.28 4.39 0.07 2 0 1000.00 -999 ? >SER^H 15 -18.33 0.62 6.31 -19.78 -0.17 8.08 -19.06 0.22 7.20 2 0 1000.00 -999 ? >THR.H 16 -14.66 0.05 5.74 -12.80 0.86 6.49 -13.73 0.45 6.12 2 0 1000.00 -999 ? >PRO.H 17 -11.72 -2.60 3.82 -13.23 -2.70 5.45 -12.48 -2.65 4.64 3 0 1000.00 -999 ? >PHE.H 18 -11.20 -6.20 9.95 -13.07 -7.03 11.87 -12.14 -6.62 10.91 3 0 1000.00 -999 ? >PHE.H 19 -8.21 -0.04 7.39 -9.61 1.21 5.30 -8.91 0.58 6.34 3 0 1000.00 -999 ? >THR.H 20 -4.05 -3.34 9.99 -4.04 -5.34 9.17 -4.05 -4.34 9.58 2 0 1000.00 -999 ? >LYS.H 21 -0.56 -1.84 10.06 3.68 -0.04 14.38 1.56 -0.94 12.22 2 0 1000.00 -999 ? >ASP.H 22 -0.29 -4.99 6.41 1.21 -6.10 7.37 0.46 -5.55 6.89 2 0 1000.00 -999 ? >ASN.H 23 -4.05 -2.86 4.15 -5.38 -3.60 5.65 -4.71 -3.23 4.90 2 0 1000.00 -999 ? >VAL.H 24 -4.13 1.18 6.64 -3.40 2.35 8.35 -3.77 1.76 7.49 3 0 1000.00 -999 ? >PRO.H 25 -6.80 3.52 4.17 -4.67 3.65 4.79 -5.73 3.58 4.48 3 0 1000.00 -999 ? >GLU.H 26 0.44 6.06 3.95 2.10 6.63 2.74 1.27 6.34 3.35 2 0 1000.00 -999 ? >ALA.H 27 -4.59 9.39 5.08 -5.78 9.41 4.13 -5.19 9.40 4.60 2 0 1000.00 -999 ? >LEU.H 28 -6.25 6.71 8.77 -8.25 6.06 8.28 -7.25 6.38 8.52 3 0 1000.00 -999 ? >LEU.H 29 -0.91 7.66 9.41 -0.66 5.51 9.61 -0.78 6.58 9.51 3 0 1000.00 -999 ? >THR.H 30 -2.28 12.15 9.34 -1.09 12.23 7.52 -1.68 12.19 8.43 2 0 1000.00 -999 ? >HIS.H 31 -3.82 17.03 10.85 -2.80 17.69 12.56 -3.31 17.36 11.71 3 0 1000.00 -999 ? >HIS.H 32 -8.35 11.73 8.73 -8.36 10.21 10.17 -8.36 10.97 9.45 3 0 1000.00 -999 ? >ASN.H 33 -12.22 16.17 9.51 -12.51 17.42 7.82 -12.36 16.79 8.67 2 0 1000.00 -999 ? >THR.H 34 -15.39 13.34 8.23 -16.16 12.36 10.02 -15.77 12.85 9.12 2 0 1000.00 -999 ? >ALA.H 35 -17.92 15.07 5.97 -18.81 14.37 4.95 -18.37 14.72 5.46 2 0 1000.00 -999 ? >VAL.H 36 -20.41 17.76 7.02 -21.17 19.50 5.97 -20.79 18.63 6.50 3 0 1000.00 -999 ? >ASP.H 37 -24.43 15.57 7.93 -25.38 17.21 8.87 -24.90 16.39 8.40 2 0 1000.00 -999 ? >VAL.H 38 -20.98 12.18 8.81 -20.21 11.14 7.05 -20.59 11.66 7.93 3 0 1000.00 -999 ? >PHE^H 39 -21.52 11.13 14.15 -22.20 13.06 16.04 -21.86 12.09 15.09 3 0 1000.00 -999 ? >GLY^H 40 -17.04 8.33 12.23 -17.48 8.42 12.94 -17.26 8.38 12.59 1 0 1000.00 -999 ? >GLN^H 41 -18.36 3.47 15.70 -20.09 2.22 15.73 -19.23 2.84 15.71 2 0 1000.00 -999 ? >ILE^H 42 -12.38 4.36 15.31 -11.11 5.02 14.93 -11.75 4.69 15.12 3 0 1000.00 -999 ? >CYH^H 43 -14.05 -0.02 16.18 -16.86 -0.17 15.76 -15.45 -0.10 15.97 2 0 1000.00 -999 ? >VAL^H 44 -11.04 -1.99 17.39 -9.24 -1.07 18.21 -10.14 -1.53 17.80 3 0 1000.00 -999 ? >MET?H 45 -11.07 -5.78 17.30 -12.83 -8.98 16.74 -11.95 -7.38 17.02 2 0 1000.00 -999 ? >GLU^H 46 -5.68 -8.30 17.83 -6.30 -9.59 19.41 -5.99 -8.95 18.62 2 0 1000.00 -999 ? >GLY.H 47 -4.50 -4.40 19.50 -5.28 -4.25 19.68 -4.89 -4.32 19.59 1 0 1000.00 -999 ? >VAL^H 48 -4.71 -0.67 20.28 -3.27 0.35 21.59 -3.99 -0.16 20.93 3 0 1000.00 -999 ? >VAL^H 49 -5.45 2.39 18.20 -6.67 2.42 16.37 -6.06 2.41 17.29 3 0 1000.00 -999 ? >THR^H 50 -4.38 5.78 19.64 -2.55 6.24 20.71 -3.46 6.01 20.18 2 0 1000.00 -999 ? >TYR^H 51 -9.05 9.60 18.36 -10.84 11.46 17.24 -9.94 10.53 17.80 3 0 1000.00 -999 ? >TYR^H 52 -2.98 11.66 18.45 -0.95 10.18 19.70 -1.96 10.92 19.07 3 0 1000.00 -999 ? >GLY^H 53 -8.02 15.04 18.17 -7.22 15.23 18.42 -7.62 15.13 18.29 1 0 1000.00 -999 ? >PHE^H 54 -5.16 17.76 15.76 -3.00 15.98 15.72 -4.08 16.87 15.74 3 0 1000.00 -999 ? >ALA.H 55 -8.89 21.91 17.76 -8.22 23.09 18.44 -8.56 22.50 18.10 2 0 1000.00 -999 ? >ASN.H 56 -8.82 24.36 13.91 -7.12 25.23 14.86 -7.97 24.79 14.38 2 0 1000.00 -999 ? >SER.H 57 -7.42 21.99 10.64 -7.96 23.86 9.20 -7.69 22.93 9.92 2 0 1000.00 -999 ? >GLU.H 58 -5.08 26.28 11.53 -5.97 27.80 10.33 -5.53 27.04 10.93 2 0 1000.00 -999 ? >ALA.H 59 -3.44 23.03 14.83 -4.48 22.69 15.88 -3.96 22.86 15.35 2 0 1000.00 -999 ? >THR.H 60 -0.29 21.06 15.57 1.66 21.91 16.01 0.69 21.49 15.79 2 0 1000.00 -999 ? >GLU.H 61 1.08 21.00 20.69 2.25 21.89 19.18 1.66 21.44 19.93 2 0 1000.00 -999 ? >PRO.H 62 -1.61 15.91 19.61 -2.75 17.77 20.02 -2.18 16.84 19.82 3 0 1000.00 -999 ? >GLU.H 63 -8.38 19.15 21.20 -9.94 20.55 20.88 -9.16 19.85 21.04 2 0 1000.00 -999 ? >ILE^H 64 -8.60 15.03 22.91 -9.78 14.30 22.49 -9.19 14.67 22.70 3 0 1000.00 -999 ? >LYS^H 65 -5.39 11.73 23.14 0.58 9.77 23.19 -2.41 10.75 23.16 2 0 1000.00 -999 ? >VAL^H 66 -7.55 8.61 23.40 -9.72 8.85 23.37 -8.63 8.73 23.39 3 0 1000.00 -999 ? >VAL^H 67 -6.31 5.02 23.68 -4.59 4.24 24.78 -5.45 4.63 24.23 3 0 1000.00 -999 ? >ILE^H 68 -9.51 2.92 20.80 -10.58 3.55 20.04 -10.04 3.23 20.42 3 0 1000.00 -999 ? >ASN^H 69 -8.15 -1.62 24.31 -6.43 -0.63 25.11 -7.29 -1.12 24.71 2 0 1000.00 -999 ? >ALA.H 70 -10.14 -4.31 21.59 -9.52 -5.70 21.57 -9.83 -5.01 21.58 2 0 1000.00 -999 ? >GLY.H 71 -13.88 -4.38 22.21 -13.51 -3.67 22.04 -13.69 -4.02 22.13 1 0 1000.00 -999 ? >GLN^H 72 -12.93 -0.62 24.59 -11.70 0.47 25.98 -12.31 -0.07 25.28 2 0 1000.00 -999 ? >PHE^H 73 -17.55 1.96 19.54 -20.10 2.49 20.63 -18.82 2.23 20.09 3 0 1000.00 -999 ? >ALA^H 74 -14.70 5.85 19.54 -13.30 6.42 19.65 -14.00 6.13 19.60 2 0 1000.00 -999 ? >THR^H 75 -16.83 8.38 17.67 -18.62 8.25 18.88 -17.73 8.31 18.27 2 0 1000.00 -999 ? >SER^H 76 -15.56 11.30 15.59 -13.52 10.19 14.96 -14.54 10.75 15.27 2 0 1000.00 -999 ? >PRO.H 77 -17.19 14.76 17.50 -17.41 13.82 15.49 -17.30 14.29 16.50 3 0 1000.00 -999 ? >PRO.H 78 -20.94 15.42 12.37 -18.73 15.57 12.57 -19.84 15.49 12.47 3 0 1000.00 -999 ? >GLN.H 79 -17.34 19.16 9.02 -18.77 20.73 9.23 -18.05 19.95 9.12 2 0 1000.00 -999 ? >TYR.H 80 -13.17 16.68 16.00 -11.45 17.16 18.15 -12.31 16.92 17.07 3 0 1000.00 -999 ? >TRP^H 81 -10.47 19.75 11.23 -8.99 18.90 7.68 -9.73 19.32 9.46 3 0 1000.00 -999 ? >HIS^H 82 -9.70 12.22 13.77 -10.92 11.25 12.36 -10.31 11.74 13.07 3 0 1000.00 -999 ? >ARG^H 83 -1.63 12.62 13.82 0.33 11.28 15.79 -0.65 11.95 14.81 2 0 1000.00 -999 ? >ILE^H 84 -5.56 6.70 14.24 -6.75 6.26 13.53 -6.16 6.48 13.88 3 0 1000.00 -999 ? >GLU^H 85 0.27 7.23 16.25 1.60 7.74 17.81 0.94 7.48 17.03 2 0 1000.00 -999 ? >LEU^H 86 -2.09 1.10 14.11 -3.64 1.72 12.72 -2.87 1.41 13.41 3 0 1000.00 -999 ? >SER.H 87 0.01 -0.87 17.57 -1.70 -2.50 18.21 -0.84 -1.69 17.89 2 0 1000.00 -999 ? >ASP.H 88 3.12 -4.16 15.81 3.62 -5.66 14.44 3.37 -4.91 15.13 2 0 1000.00 -999 ? >ASP.H 89 -0.87 -7.03 17.12 -1.67 -6.27 18.93 -1.27 -6.65 18.03 2 0 1000.00 -999 ? >ALA.H 90 -3.93 -3.65 15.54 -3.85 -2.12 15.58 -3.89 -2.88 15.56 2 0 1000.00 -999 ? >GLN^H 91 -8.53 -6.55 12.75 -8.63 -8.70 12.50 -8.58 -7.63 12.62 2 0 1000.00 -999 ? >PHE^H 92 -8.77 0.08 13.06 -7.42 1.79 11.31 -8.09 0.93 12.19 3 0 1000.00 -999 ? >ASN^H 93 -13.49 -1.86 10.39 -15.47 -1.62 11.12 -14.48 -1.74 10.76 2 0 1000.00 -999 ? >ILE^H 94 -13.64 3.67 9.92 -12.87 4.94 10.17 -13.25 4.30 10.05 3 0 1000.00 -999 ? >ASN^H 95 -19.13 2.16 11.18 -18.67 0.11 11.51 -18.90 1.13 11.35 2 0 1000.00 -999 ? >PHE^H 96 -17.53 6.67 7.28 -14.74 6.91 7.35 -16.14 6.79 7.32 3 0 1000.00 -999 ? >TRP^H 97 -21.69 5.36 12.56 -24.88 3.21 13.45 -23.29 4.28 13.01 3 0 1000.00 -999 ? >SER^H 98 -25.13 9.79 8.39 -25.02 11.27 6.48 -25.07 10.53 7.43 2 0 1000.00 -999 ? >ASP.H 99 -29.24 11.91 8.69 -31.33 11.82 8.87 -30.28 11.87 8.78 2 0 1000.00 -999 ? >SER.F 2 -14.71 39.55 27.58 -13.74 37.50 28.44 -14.23 38.53 28.01 2 0 1000.00 -999 ? >HIS.F 3 -10.55 42.00 25.74 -9.78 43.03 27.39 -10.17 42.52 26.57 3 0 1000.00 -999 ? >LEU.F 4 -8.92 36.06 24.56 -10.31 34.46 24.11 -9.62 35.26 24.33 3 0 1000.00 -999 ? >ARG.F 5 -4.05 38.50 30.68 -1.48 37.56 32.12 -2.76 38.03 31.40 2 0 1000.00 -999 ? >ILE.F 6 -2.29 39.25 24.51 -2.00 39.66 23.16 -2.15 39.46 23.84 3 0 1000.00 -999 ? >PRO.F 7 -0.64 34.65 26.79 -0.59 36.82 27.31 -0.62 35.73 27.05 3 0 1000.00 -999 ? >LYS.F 8 2.31 39.26 29.45 3.24 37.14 34.58 2.77 38.20 32.01 2 0 1000.00 -999 ? >ASN.F 9 5.88 36.20 28.15 4.61 34.72 27.27 5.25 35.46 27.71 2 0 1000.00 -999 ? >TRP.F 10 2.58 35.64 24.95 0.74 34.23 21.76 1.66 34.94 23.35 3 0 1000.00 -999 ? >THR^F 11 5.57 41.13 22.23 7.65 41.67 22.52 6.61 41.40 22.38 2 0 1000.00 -999 ? >ILE^F 12 3.99 44.58 19.17 2.91 45.56 19.01 3.45 45.07 19.09 3 0 1000.00 -999 ? >GLN^F 13 5.97 39.43 16.39 7.81 39.03 17.37 6.89 39.23 16.88 2 0 1000.00 -999 ? >ARG^F 14 2.71 44.36 10.51 2.65 44.71 7.45 2.68 44.54 8.98 2 0 1000.00 -999 ? >SER^F 15 1.89 47.02 13.52 2.53 47.53 15.80 2.21 47.27 14.66 2 0 1000.00 -999 ? >THR.F 16 -0.27 48.31 10.70 -2.09 47.17 10.76 -1.18 47.74 10.73 2 0 1000.00 -999 ? >PRO.F 17 -0.60 51.35 7.57 -0.63 51.25 9.79 -0.61 51.30 8.68 3 0 1000.00 -999 ? >PHE.F 18 -4.22 55.38 12.07 -3.75 56.06 14.74 -3.98 55.72 13.41 3 0 1000.00 -999 ? >PHE.F 19 -5.87 50.06 7.64 -3.54 48.60 7.12 -4.70 49.33 7.38 3 0 1000.00 -999 ? >THR.F 20 -10.36 53.77 6.95 -10.55 55.90 7.32 -10.46 54.84 7.13 2 0 1000.00 -999 ? >LYS.F 21 -12.99 52.68 4.40 -18.29 50.36 4.28 -15.64 51.52 4.34 2 0 1000.00 -999 ? >ASP.F 22 -10.42 56.14 2.41 -10.13 57.37 0.71 -10.27 56.76 1.56 2 0 1000.00 -999 ? >ASN.F 23 -6.39 53.46 2.23 -5.92 53.82 4.27 -6.16 53.64 3.25 2 0 1000.00 -999 ? >VAL.F 24 -8.31 49.44 4.11 -10.04 48.44 4.99 -9.17 48.94 4.55 3 0 1000.00 -999 ? >PRO~F 25 -4.93 46.75 4.05 -6.95 46.80 3.11 -5.94 46.77 3.58 3 0 1000.00 -999 ? >GLU~F 26 -10.99 42.98 -0.63 -12.73 43.73 0.33 -11.86 43.36 -0.15 2 0 1000.00 -999 ? >ALA~F 27 -8.07 41.06 3.11 -6.59 40.78 3.30 -7.33 40.92 3.20 2 0 1000.00 -999 ? >LEU~F 28 -9.14 43.60 7.12 -7.27 43.89 8.18 -8.20 43.74 7.65 3 0 1000.00 -999 ? >LEU~F 29 -13.43 43.64 3.79 -13.33 45.77 4.05 -13.38 44.71 3.92 3 0 1000.00 -999 ? >THR~F 30 -13.28 38.95 4.26 -12.96 38.91 2.13 -13.12 38.93 3.19 2 0 1000.00 -999 ? >HIS.F 31 -14.32 34.19 6.09 -16.38 34.11 6.47 -15.35 34.15 6.28 3 0 1000.00 -999 ? >HIS^F 32 -8.47 38.13 8.13 -9.07 39.66 9.44 -8.77 38.90 8.79 3 0 1000.00 -999 ? >ASN^F 33 -7.19 33.04 10.81 -5.82 31.78 9.73 -6.50 32.41 10.27 2 0 1000.00 -999 ? >THR^F 34 -3.72 35.33 12.30 -4.14 36.24 14.23 -3.93 35.79 13.26 2 0 1000.00 -999 ? >ALA.F 35 -0.81 32.93 11.71 0.55 33.36 11.14 -0.13 33.15 11.43 2 0 1000.00 -999 ? >VAL.F 36 0.27 30.36 14.30 1.85 28.80 14.28 1.06 29.58 14.29 3 0 1000.00 -999 ? >ASP.F 37 2.97 31.57 17.52 3.31 29.49 17.42 3.14 30.53 17.47 2 0 1000.00 -999 ? >VAL^F 38 0.16 35.32 16.48 0.93 36.32 14.72 0.55 35.82 15.60 3 0 1000.00 -999 ? >PHE^F 39 -3.46 36.88 20.83 -5.67 36.00 22.29 -4.57 36.44 21.56 3 0 1000.00 -999 ? >GLY^F 40 -4.23 40.07 16.80 -4.39 39.91 17.59 -4.31 39.99 17.19 1 0 1000.00 -999 ? >GLN^F 41 -4.62 44.98 20.35 -3.17 45.64 21.75 -3.90 45.31 21.05 2 0 1000.00 -999 ? >ILE^F 42 -8.85 45.29 16.05 -9.58 44.91 14.89 -9.22 45.10 15.47 3 0 1000.00 -999 ? >CYH^F 43 -7.47 49.35 18.17 -5.14 49.09 19.72 -6.30 49.22 18.95 2 0 1000.00 -999 ? >VAL^F 44 -10.26 51.65 17.06 -12.30 51.08 16.56 -11.28 51.37 16.81 3 0 1000.00 -999 ? >MET?F 45 -9.03 55.23 17.06 -6.84 57.17 18.37 -7.94 56.20 17.71 2 0 1000.00 -999 ? >GLU^F 46 -12.89 58.72 14.17 -12.15 60.26 12.90 -12.52 59.49 13.54 2 0 1000.00 -999 ? >GLY.F 47 -15.65 55.50 14.48 -15.26 55.20 15.10 -15.45 55.35 14.79 1 0 1000.00 -999 ? >VAL^F 48 -16.87 51.93 14.77 -18.84 51.63 15.62 -17.86 51.78 15.20 3 0 1000.00 -999 ? >VAL^F 49 -15.43 48.60 13.70 -13.34 48.30 13.22 -14.39 48.45 13.46 3 0 1000.00 -999 ? >THR^F 50 -17.61 45.51 13.81 -19.72 45.36 13.55 -18.67 45.44 13.68 2 0 1000.00 -999 ? >TYR^F 51 -14.10 40.88 15.70 -12.39 38.70 15.89 -13.24 39.79 15.80 3 0 1000.00 -999 ? >TYR^F 52 -19.00 39.89 11.55 -21.00 41.85 11.20 -20.00 40.87 11.38 3 0 1000.00 -999 ? >GLY^F 53 -15.77 35.53 14.29 -16.53 35.47 13.98 -16.15 35.50 14.14 1 0 1000.00 -999 ? >PHE.F 54 -16.67 33.02 10.61 -17.94 35.14 9.28 -17.30 34.08 9.95 3 0 1000.00 -999 ? >ALA.F 55 -15.85 28.55 14.39 -17.00 27.56 14.57 -16.43 28.05 14.48 2 0 1000.00 -999 ? >ASN.F 56 -13.76 25.94 11.37 -15.64 25.32 10.61 -14.70 25.63 10.99 2 0 1000.00 -999 ? >SER.F 57 -12.35 28.11 8.00 -11.58 25.91 7.28 -11.97 27.01 7.64 2 0 1000.00 -999 ? >GLU.F 58 -15.34 24.54 6.62 -14.79 22.79 5.56 -15.06 23.67 6.09 2 0 1000.00 -999 ? >ALA.F 59 -18.19 28.34 8.87 -17.91 28.76 10.31 -18.05 28.55 9.59 2 0 1000.00 -999 ? >THR.F 60 -20.70 30.53 7.04 -21.92 29.10 5.95 -21.31 29.81 6.49 2 0 1000.00 -999 ? >GLU.F 61 -24.98 31.72 8.95 -25.28 33.67 8.16 -25.13 32.70 8.56 2 0 1000.00 -999 ? >PRO.F 62 -21.27 35.86 11.42 -21.19 33.75 12.16 -21.23 34.80 11.79 3 0 1000.00 -999 ? >GLU.F 63 -18.05 31.69 16.66 -16.89 30.26 17.68 -17.47 30.97 17.17 2 0 1000.00 -999 ? >ILE^F 64 -18.20 35.63 18.45 -16.91 36.13 18.90 -17.56 35.88 18.67 3 0 1000.00 -999 ? >LYS^F 65 -20.17 39.42 16.89 -24.68 43.04 14.39 -22.42 41.23 15.64 2 0 1000.00 -999 ? >VAL^F 66 -18.39 42.27 18.70 -16.81 41.77 20.17 -17.60 42.02 19.43 3 0 1000.00 -999 ? >VAL^F 67 -18.82 46.05 18.19 -20.73 47.14 17.92 -19.78 46.60 18.06 3 0 1000.00 -999 ? >ILE^F 68 -14.28 47.43 18.39 -13.17 46.58 18.43 -13.73 47.01 18.41 3 0 1000.00 -999 ? >ASN^F 69 -16.84 52.33 20.48 -18.78 51.44 20.34 -17.81 51.89 20.41 2 0 1000.00 -999 ? >ALA.F 70 -13.24 54.49 19.57 -13.55 55.96 19.20 -13.39 55.23 19.39 2 0 1000.00 -999 ? >GLY.F 71 -10.92 54.17 22.58 -11.16 53.51 22.15 -11.04 53.84 22.36 1 0 1000.00 -999 ? >GLN.F 72 -13.82 50.78 23.49 -15.80 49.99 23.54 -14.81 50.38 23.51 2 0 1000.00 -999 ? >PHE^F 73 -7.59 46.85 22.80 -6.67 45.68 25.16 -7.13 46.27 23.98 3 0 1000.00 -999 ? >ALA^F 74 -10.34 43.73 20.69 -11.60 43.48 19.88 -10.97 43.61 20.29 2 0 1000.00 -999 ? >THR^F 75 -8.16 40.64 20.36 -7.55 40.39 22.43 -7.85 40.52 21.39 2 0 1000.00 -999 ? >SER^F 76 -8.30 37.67 17.99 -7.66 38.93 16.03 -7.98 38.30 17.01 2 0 1000.00 -999 ? >PRO.F 77 -8.65 33.69 19.47 -6.94 35.04 18.97 -7.79 34.37 19.22 3 0 1000.00 -999 ? >PRO.F 78 -2.59 32.64 18.73 -4.36 32.90 17.41 -3.48 32.77 18.07 3 0 1000.00 -999 ? >GLN.F 79 -3.60 29.40 13.72 -2.89 27.40 13.52 -3.24 28.40 13.62 2 0 1000.00 -999 ? >TYR.F 80 -10.95 32.84 16.15 -13.73 32.84 16.44 -12.34 32.84 16.30 3 0 1000.00 -999 ? >TRP.F 81 -10.27 29.84 10.47 -8.61 31.12 7.14 -9.44 30.48 8.81 3 0 1000.00 -999 ? >HIS^F 82 -11.11 37.72 12.60 -9.11 38.37 12.62 -10.11 38.04 12.61 3 0 1000.00 -999 ? >ARG^F 83 -16.82 38.85 7.16 -19.23 40.66 7.71 -18.02 39.75 7.43 2 0 1000.00 -999 ? >ILE^F 84 -12.96 43.95 10.68 -11.57 44.21 10.83 -12.26 44.08 10.75 3 0 1000.00 -999 ? >GLU^F 85 -19.14 45.88 8.24 -21.03 44.90 8.35 -20.08 45.39 8.30 2 0 1000.00 -999 ? >LEU^F 86 -14.95 50.02 8.29 -12.95 49.23 8.06 -13.95 49.62 8.17 3 0 1000.00 -999 ? >SER.F 87 -18.37 52.46 9.69 -17.43 53.90 11.40 -17.90 53.18 10.55 2 0 1000.00 -999 ? >ASP.F 88 -19.22 56.38 6.95 -20.70 55.33 5.83 -19.96 55.86 6.39 2 0 1000.00 -999 ? >ASP.F 89 -16.31 58.58 10.53 -17.73 58.00 11.99 -17.02 58.29 11.26 2 0 1000.00 -999 ? >ALA.F 90 -13.89 54.40 11.17 -14.34 52.95 10.96 -14.11 53.67 11.06 2 0 1000.00 -999 ? >GLN^F 91 -8.18 56.38 11.90 -7.39 58.19 12.69 -7.78 57.29 12.30 2 0 1000.00 -999 ? >PHE^F 92 -9.22 49.78 12.10 -9.32 48.24 9.76 -9.27 49.01 10.93 3 0 1000.00 -999 ? >ASN^F 93 -3.76 50.66 13.55 -3.04 50.21 15.50 -3.40 50.43 14.53 2 0 1000.00 -999 ? >ILE^F 94 -4.19 45.28 13.18 -5.05 44.26 12.71 -4.62 44.77 12.95 3 0 1000.00 -999 ? >ASN^F 95 -0.71 45.72 17.73 -0.86 47.84 17.75 -0.79 46.78 17.74 2 0 1000.00 -999 ? >PHE^F 96 -0.25 41.36 13.43 -2.28 41.80 11.55 -1.26 41.58 12.49 3 0 1000.00 -999 ? >TRP^F 97 -0.50 42.23 20.16 1.42 43.91 23.15 0.46 43.07 21.65 3 0 1000.00 -999 ? >SER^F 98 3.69 36.84 19.42 4.79 35.26 17.98 4.24 36.05 18.70 2 0 1000.00 -999 ? >ASP.F 99 4.92 33.91 23.05 4.32 32.07 22.16 4.62 32.99 22.60 2 0 1000.00 -999 ? >GLN.F 100 6.99 31.49 19.40 8.36 30.50 20.70 7.67 30.99 20.05 2 0 1000.00 -999 ? >ASP.F 101 11.70 35.67 16.71 12.43 36.65 14.98 12.06 36.16 15.84 2 0 1000.00 -999 ? >LYS.F 102 8.09 36.23 13.74 4.60 32.23 13.21 6.34 34.23 13.47 2 0 1000.00 -999 ? >SER.F 103 10.44 38.35 11.63 12.66 37.70 12.32 11.55 38.03 11.97 2 0 1000.00 -999 ? >GLY.F 104 10.18 37.45 7.96 9.54 37.37 8.44 9.86 37.41 8.20 1 0 1000.00 -999 ? >LYS.F 105 7.23 35.11 8.45 6.20 30.04 10.53 6.71 32.58 9.49 2 0 1000.00 -999 ? >LYS.F 106 3.54 35.67 7.68 1.09 37.55 3.15 2.31 36.61 5.41 2 0 1000.00 -999 ? >MET?F 107 1.30 37.48 10.16 3.38 38.90 12.33 2.34 38.19 11.24 2 0 1000.00 -999 ? >PHE^F 108 -2.62 38.70 7.44 -1.89 40.31 5.25 -2.25 39.50 6.34 3 0 1000.00 -999 ? >ASN^F 109 -3.75 32.64 6.59 -2.03 31.93 7.63 -2.89 32.29 7.11 2 0 1000.00 -999 ? >THR^F 110 -6.48 34.84 3.74 -6.50 35.86 1.84 -6.49 35.35 2.79 2 0 1000.00 -999 ? >LYS.F 111 -9.09 32.80 1.86 -5.92 30.90 -0.12 -7.50 31.85 0.87 2 0 1000.00 -999 ? >HIS.I 3 -11.40 43.08 37.76 -9.86 41.69 37.46 -10.63 42.38 37.61 3 0 1000.00 -999 ? >LEU.I 4 -12.99 41.97 32.44 -12.71 43.61 31.04 -12.85 42.79 31.74 3 0 1000.00 -999 ? >ARG.I 5 -11.30 35.90 34.76 -14.01 34.94 33.70 -12.65 35.42 34.23 2 0 1000.00 -999 ? >ILE.I 6 -14.22 35.69 38.71 -15.48 34.97 38.78 -14.85 35.33 38.75 3 0 1000.00 -999 ? >PRO.I 7 -11.98 39.58 41.90 -11.47 37.57 41.09 -11.72 38.58 41.49 3 0 1000.00 -999 ? >LYS.I 8 -9.31 34.26 42.69 -3.50 33.44 44.96 -6.41 33.85 43.83 2 0 1000.00 -999 ? >ASN.I 9 -9.80 35.83 47.21 -10.49 37.80 46.82 -10.15 36.81 47.02 2 0 1000.00 -999 ? >TRP.I 10 -13.67 37.86 45.18 -16.40 40.02 43.35 -15.04 38.94 44.27 3 0 1000.00 -999 ? >THR^I 11 -16.45 31.87 45.63 -16.04 31.49 47.75 -16.24 31.68 46.69 2 0 1000.00 -999 ? >ILE^I 12 -20.15 29.23 43.80 -20.50 28.42 42.61 -20.33 28.82 43.20 3 0 1000.00 -999 ? >GLN^I 13 -23.57 34.10 45.72 -24.29 36.05 46.23 -23.93 35.07 45.98 2 0 1000.00 -999 ? >ARG^I 14 -29.22 31.43 44.46 -28.33 34.15 43.31 -28.78 32.79 43.88 2 0 1000.00 -999 ? >SER^I 15 -25.60 27.64 42.17 -23.39 26.55 42.31 -24.49 27.09 42.24 2 0 1000.00 -999 ? >THR.I 16 -28.74 27.39 40.04 -29.62 28.21 38.24 -29.18 27.80 39.14 2 0 1000.00 -999 ? >PRO.I 17 -32.17 24.60 39.78 -29.99 24.60 39.32 -31.08 24.60 39.55 3 0 1000.00 -999 ? >PHE.I 18 -28.56 20.69 34.89 -25.90 19.85 34.71 -27.23 20.27 34.80 3 0 1000.00 -999 ? >PHE^I 19 -32.92 26.59 34.84 -33.35 27.50 37.45 -33.14 27.04 36.15 3 0 1000.00 -999 ? >THR^I 20 -34.10 23.72 29.96 -34.80 21.70 30.36 -34.45 22.71 30.16 2 0 1000.00 -999 ? >LYS.I 21 -36.52 25.51 27.65 -37.35 28.65 23.25 -36.93 27.08 25.45 2 0 1000.00 -999 ? >ASP.I 22 -39.57 22.32 29.47 -39.56 21.64 27.47 -39.57 21.98 28.47 2 0 1000.00 -999 ? >ASN.I 23 -38.25 23.55 34.11 -36.33 22.70 33.80 -37.29 23.13 33.95 2 0 1000.00 -999 ? >VAL.I 24 -36.48 27.88 32.82 -35.48 29.03 31.26 -35.98 28.46 32.04 3 0 1000.00 -999 ? >PRO~I 25 -36.56 29.92 36.61 -37.29 30.34 34.55 -36.92 30.13 35.58 3 0 1000.00 -999 ? >GLU~I 26 -40.76 33.39 31.64 -42.60 34.33 31.18 -41.68 33.86 31.41 2 0 1000.00 -999 ? >ALA~I 27 -36.25 36.03 34.61 -36.33 36.01 36.14 -36.29 36.02 35.38 2 0 1000.00 -999 ? >LEU~I 28 -32.59 32.88 33.97 -32.45 32.05 35.96 -32.52 32.47 34.96 3 0 1000.00 -999 ? >LEU~I 29 -34.88 33.97 29.29 -34.72 31.83 29.12 -34.80 32.90 29.21 3 0 1000.00 -999 ? >THR~I 30 -34.78 38.51 30.13 -35.94 39.74 31.49 -35.36 39.13 30.81 2 0 1000.00 -999 ? >HIS.I 31 -32.21 43.83 28.35 -30.95 45.50 28.27 -31.58 44.66 28.31 3 0 1000.00 -999 ? >HIS.I 32 -31.28 39.97 34.08 -30.31 38.11 34.14 -30.80 39.04 34.11 3 0 1000.00 -999 ? >ASN.I 33 -27.47 43.95 35.04 -28.10 45.17 36.67 -27.78 44.56 35.86 2 0 1000.00 -999 ? >THR.I 34 -26.52 40.98 38.19 -24.85 39.79 37.57 -25.69 40.39 37.88 2 0 1000.00 -999 ? >ALA.I 35 -25.88 42.59 41.56 -25.87 41.83 42.88 -25.88 42.21 42.22 2 0 1000.00 -999 ? >VAL.I 36 -23.19 45.24 42.00 -23.99 46.63 43.45 -23.59 45.93 42.73 3 0 1000.00 -999 ? >ASP.I 37 -20.41 42.80 44.77 -21.90 42.01 46.03 -21.16 42.41 45.40 2 0 1000.00 -999 ? >VAL.I 38 -21.84 39.43 41.61 -23.56 38.44 42.52 -22.70 38.93 42.06 3 0 1000.00 -999 ? >PHE^I 39 -17.97 38.01 38.40 -16.02 39.94 37.79 -17.00 38.97 38.09 3 0 1000.00 -999 ? >GLY^I 40 -22.71 35.25 36.65 -21.90 35.33 36.39 -22.30 35.29 36.52 1 0 1000.00 -999 ? >GLN^I 41 -19.41 30.33 35.11 -18.28 29.01 36.34 -18.84 29.67 35.72 2 0 1000.00 -999 ? >ILE^I 42 -24.24 31.32 31.41 -25.46 32.00 30.87 -24.85 31.66 31.14 3 0 1000.00 -999 ? >CYH^I 43 -22.44 26.94 31.97 -20.67 26.92 34.11 -21.56 26.93 33.04 2 0 1000.00 -999 ? >VAL^I 44 -23.91 25.00 29.03 -24.50 25.98 27.17 -24.21 25.49 28.10 3 0 1000.00 -999 ? >MET?I 45 -24.18 21.20 29.37 -22.91 18.79 31.34 -23.55 20.00 30.35 2 0 1000.00 -999 ? >GLU^I 46 -26.84 18.66 24.82 -24.95 18.36 23.87 -25.89 18.51 24.35 2 0 1000.00 -999 ? >GLY.I 47 -27.61 22.58 23.24 -26.82 22.72 23.54 -27.22 22.65 23.39 1 0 1000.00 -999 ? >VAL.I 48 -26.77 26.20 22.50 -25.94 26.65 20.54 -26.36 26.42 21.52 3 0 1000.00 -999 ? >VAL^I 49 -27.22 29.43 24.48 -27.28 29.57 26.67 -27.25 29.50 25.57 3 0 1000.00 -999 ? >THR^I 50 -27.00 32.71 22.55 -28.47 32.74 20.91 -27.73 32.73 21.73 2 0 1000.00 -999 ? >TYR^I 51 -24.07 36.25 26.61 -23.29 38.11 28.54 -23.68 37.18 27.58 3 0 1000.00 -999 ? >TYR^I 52 -28.32 38.90 22.59 -29.42 37.50 20.44 -28.87 38.20 21.52 3 0 1000.00 -999 ? >GLY^I 53 -24.36 41.90 25.92 -24.77 42.16 25.21 -24.56 42.03 25.56 1 0 1000.00 -999 ? >PHE.I 54 -27.64 44.96 25.76 -29.28 43.18 24.32 -28.46 44.07 25.04 3 0 1000.00 -999 ? >ALA.I 55 -22.92 48.54 26.86 -22.58 49.62 25.84 -22.75 49.08 26.35 2 0 1000.00 -999 ? >ASN.I 56 -25.05 51.59 29.34 -25.57 52.61 27.56 -25.31 52.10 28.45 2 0 1000.00 -999 ? >SER.I 57 -28.99 50.10 30.67 -28.88 50.17 33.10 -28.93 50.14 31.88 2 0 1000.00 -999 ? >GLU.I 58 -28.77 54.19 27.95 -28.67 55.48 29.61 -28.72 54.83 28.78 2 0 1000.00 -999 ? >ALA.I 59 -28.59 50.37 24.91 -27.22 49.71 24.95 -27.91 50.04 24.93 2 0 1000.00 -999 ? >THR.I 60 -31.20 48.69 22.74 -32.46 49.47 21.18 -31.83 49.08 21.96 2 0 1000.00 -999 ? >GLU.I 61 -29.26 47.81 18.27 -28.60 48.75 16.51 -28.93 48.28 17.39 2 0 1000.00 -999 ? >PRO.I 62 -26.98 42.93 20.16 -26.58 44.73 21.42 -26.78 43.83 20.79 3 0 1000.00 -999 ? >GLU.I 63 -21.56 45.50 24.18 -20.27 46.50 25.51 -20.91 46.00 24.85 2 0 1000.00 -999 ? >ILE^I 64 -20.63 41.24 22.96 -20.14 40.36 23.99 -20.39 40.80 23.47 3 0 1000.00 -999 ? >LYS^I 65 -23.45 38.55 20.47 -27.14 35.73 17.43 -25.30 37.14 18.95 2 0 1000.00 -999 ? >VAL^I 66 -21.96 35.16 21.31 -20.60 35.90 22.85 -21.28 35.53 22.08 3 0 1000.00 -999 ? >VAL^I 67 -22.85 31.48 20.93 -23.53 30.45 19.14 -23.19 30.97 20.03 3 0 1000.00 -999 ? >ILE^I 68 -22.36 29.77 25.33 -22.11 30.46 26.47 -22.24 30.11 25.90 3 0 1000.00 -999 ? >ASN.I 69 -21.29 24.79 22.09 -21.79 25.78 20.26 -21.54 25.28 21.18 2 0 1000.00 -999 ? >ALA.I 70 -21.79 22.38 25.54 -22.28 21.00 25.16 -22.04 21.69 25.35 2 0 1000.00 -999 ? >GLY.I 71 -18.57 22.23 27.49 -18.97 22.95 27.37 -18.77 22.59 27.43 1 0 1000.00 -999 ? >GLN.I 72 -17.46 26.03 24.94 -17.50 27.05 23.05 -17.48 26.54 24.00 2 0 1000.00 -999 ? >PHE^I 73 -17.58 28.76 31.66 -14.98 29.40 32.51 -16.28 29.08 32.08 3 0 1000.00 -999 ? >ALA^I 74 -19.57 32.60 29.69 -20.49 33.13 28.63 -20.03 32.87 29.16 2 0 1000.00 -999 ? >THR^I 75 -19.25 34.97 32.60 -17.96 34.59 34.28 -18.60 34.78 33.44 2 0 1000.00 -999 ? >SER^I 76 -21.23 38.17 33.07 -23.27 38.42 31.79 -22.25 38.29 32.43 2 0 1000.00 -999 ? >PRO.I 77 -18.31 41.24 32.96 -19.66 40.45 34.55 -18.99 40.84 33.76 3 0 1000.00 -999 ? >PRO.I 78 -19.29 42.09 39.27 -20.67 42.35 37.53 -19.98 42.22 38.40 3 0 1000.00 -999 ? >GLN.I 79 -23.61 46.50 38.81 -24.04 48.49 39.44 -23.83 47.49 39.12 2 0 1000.00 -999 ? >TYR.I 80 -22.01 43.21 31.21 -21.77 43.42 28.44 -21.89 43.32 29.82 3 0 1000.00 -999 ? >TRP.I 81 -27.03 46.89 32.82 -30.88 46.69 33.65 -28.96 46.79 33.23 3 0 1000.00 -999 ? >HIS^I 82 -26.37 39.19 30.75 -26.61 38.43 32.69 -26.49 38.81 31.72 3 0 1000.00 -999 ? >ARG^I 83 -32.88 39.75 25.35 -32.08 40.28 22.43 -32.48 40.02 23.89 2 0 1000.00 -999 ? >ILE^I 84 -29.69 34.15 28.06 -28.86 33.21 28.78 -29.27 33.68 28.42 3 0 1000.00 -999 ? >GLU^I 85 -32.36 34.90 22.80 -32.63 35.55 20.82 -32.49 35.23 21.81 2 0 1000.00 -999 ? >LEU^I 86 -32.64 28.41 25.45 -32.20 28.69 27.54 -32.42 28.55 26.50 3 0 1000.00 -999 ? >SER.I 87 -32.02 26.26 21.71 -30.09 24.88 22.27 -31.06 25.57 21.99 2 0 1000.00 -999 ? >ASP.I 88 -35.60 23.00 20.84 -37.02 24.35 20.04 -36.31 23.68 20.44 2 0 1000.00 -999 ? >ASP.I 89 -31.51 20.16 22.31 -29.94 21.15 21.28 -30.73 20.65 21.79 2 0 1000.00 -999 ? >ALA.I 90 -30.40 23.60 25.45 -30.59 25.11 25.38 -30.49 24.35 25.42 2 0 1000.00 -999 ? >GLN^I 91 -29.21 20.74 30.67 -28.77 18.66 30.94 -28.99 19.70 30.81 2 0 1000.00 -999 ? >PHE^I 92 -28.44 27.20 30.89 -30.54 29.03 31.35 -29.49 28.12 31.12 3 0 1000.00 -999 ? >ASN^I 93 -26.55 25.15 35.80 -24.68 25.50 36.73 -25.61 25.32 36.26 2 0 1000.00 -999 ? >ILE^I 94 -26.49 30.74 36.21 -26.76 32.03 35.50 -26.63 31.39 35.86 3 0 1000.00 -999 ? >ASN^I 95 -21.76 29.24 39.04 -22.03 27.20 38.49 -21.90 28.22 38.77 2 0 1000.00 -999 ? >PHE^I 96 -25.51 33.92 40.51 -27.60 33.91 38.62 -26.56 33.92 39.57 3 0 1000.00 -999 ? >TRP^I 97 -18.66 32.45 39.61 -15.92 30.25 41.40 -17.29 31.35 40.50 3 0 1000.00 -999 ? >SER^I 98 -19.09 36.93 44.97 -20.73 36.42 46.70 -19.91 36.68 45.83 2 0 1000.00 -999 ? >ASP.I 99 -16.48 39.58 48.00 -14.83 39.91 49.28 -15.66 39.74 48.64 2 0 1000.00 -999 ? >GLN.I 100 -16.94 33.76 52.32 -18.82 32.74 52.23 -17.88 33.25 52.27 2 0 1000.00 -999 ? >ASP~I 101 -15.00 38.57 53.65 -14.21 36.75 54.36 -14.61 37.66 54.00 2 0 1000.00 -999 ? >LYS~I 102 -18.36 41.22 51.40 -20.51 44.66 47.77 -19.43 42.94 49.59 2 0 1000.00 -999 ? >SER~I 103 -20.98 41.23 54.16 -20.97 38.93 54.94 -20.97 40.08 54.55 2 0 1000.00 -999 ? >GLY~I 104 -18.28 41.60 56.79 -18.37 42.05 56.10 -18.32 41.82 56.45 1 0 1000.00 -999 ? >LYS~I 105 -16.69 44.47 54.87 -13.38 43.87 49.90 -15.04 44.17 52.38 2 0 1000.00 -999 ? >LYS~I 106 -19.97 46.42 54.87 -23.53 46.81 49.68 -21.75 46.61 52.28 2 0 1000.00 -999 ? >MET?I 107 -20.60 45.44 58.49 -22.94 43.95 60.38 -21.77 44.70 59.43 2 0 1000.00 -999 ?