REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-AUG-06 2I45 COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I, J; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; SOURCE 3 ORGANISM_TAXID: 487; SOURCE 4 GENE: NMB1881; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) DERIVATIVE; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG AUTHOR C.CHANG,C.HATZOS,M.BARGASSA,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 59 8 HET MSE A 69 8 HET MSE A 76 8 HET MSE B 59 8 HET MSE B 69 8 HET MSE B 76 8 HET MSE C 59 8 HET MSE C 69 8 HET MSE C 76 8 HET MSE D 59 8 HET MSE D 69 8 HET MSE D 76 8 HET MSE E 59 8 HET MSE E 69 8 HET MSE E 76 8 HET MSE F 59 8 HET MSE F 69 8 HET MSE F 76 8 HET MSE G 59 8 HET MSE G 69 8 HET MSE G 76 8 HET MSE H 59 8 HET MSE H 69 8 HET MSE H 76 8 HET MSE I 59 8 HET MSE I 69 8 HET MSE I 76 8 HET MSE J 59 8 HET MSE J 69 8 HET MSE J 76 8 >GLU.A 4 4.86 13.56 32.68 4.74 13.11 34.73 4.80 13.34 33.71 2 0 1000.00 -999 ? >THR.A 5 10.42 13.84 34.96 10.75 15.31 36.49 10.58 14.57 35.73 2 0 1000.00 -999 ? >ILE^A 6 11.71 9.27 34.93 11.85 8.41 33.99 11.78 8.84 34.46 3 0 1000.00 -999 ? >ASN^A 7 11.37 10.03 40.84 12.57 10.04 42.63 11.97 10.04 41.74 2 0 1000.00 -999 ? >LEU~A 8 16.16 7.12 38.79 16.45 7.59 36.52 16.30 7.35 37.66 3 0 1000.00 -999 ? >LYS~A 9 14.87 5.90 43.03 16.57 7.36 48.59 15.72 6.63 45.81 2 0 1000.00 -999 ? >GLN~A 10 8.95 7.43 43.05 9.36 8.16 44.97 9.16 7.80 44.01 2 0 1000.00 -999 ? >HIS~A 11 9.62 4.96 38.13 8.18 6.21 37.27 8.90 5.58 37.70 3 0 1000.00 -999 ? >LEU~A 12 14.72 1.91 41.13 15.76 1.89 39.10 15.24 1.90 40.11 3 0 1000.00 -999 ? >ALA~A 13 12.14 0.96 44.76 11.86 2.05 45.77 12.00 1.50 45.26 2 0 1000.00 -999 ? >ALA~A 14 8.74 -0.20 43.38 7.80 0.63 42.53 8.27 0.22 42.95 2 0 1000.00 -999 ? >ILE~A 15 10.15 -2.77 39.42 11.63 -2.69 39.14 10.89 -2.73 39.28 3 0 1000.00 -999 ? >LYS.A 16 10.45 -6.03 43.15 8.17 -2.61 46.35 9.31 -4.32 44.75 2 0 1000.00 -999 ? >GLU.A 17 9.37 -9.97 40.98 9.57 -11.69 42.25 9.47 -10.83 41.62 2 0 1000.00 -999 ? >TYR.A 18 16.88 -9.56 40.56 18.07 -8.59 42.85 17.47 -9.07 41.71 3 0 1000.00 -999 ? >TRP.A 19 17.17 -11.47 36.35 19.78 -10.25 33.63 18.47 -10.86 34.99 3 0 1000.00 -999 ? >GLN.A 20 9.24 -8.25 35.94 9.12 -10.35 36.16 9.18 -9.30 36.05 2 0 1000.00 -999 ? >PRO.A 21 12.40 -5.69 31.09 11.81 -4.92 33.18 12.11 -5.31 32.14 3 0 1000.00 -999 ? >GLU^A 22 8.16 0.59 34.76 8.15 2.15 36.27 8.16 1.37 35.52 2 0 1000.00 -999 ? >ILE^A 23 9.02 -0.24 28.91 9.06 -1.01 28.12 9.04 -0.62 28.51 3 0 1000.00 -999 ? >ILE^A 24 9.56 4.83 31.28 9.45 5.56 32.53 9.50 5.20 31.90 3 0 1000.00 -999 ? >ASN^A 25 7.38 5.93 25.90 8.41 4.67 24.51 7.90 5.30 25.20 2 0 1000.00 -999 ? >ARG^A 26 8.89 10.84 30.26 6.78 9.35 31.99 7.83 10.10 31.13 2 0 1000.00 -999 ? >HIS.A 27 9.23 14.01 23.84 7.98 15.61 24.36 8.61 14.81 24.10 3 0 1000.00 -999 ? >GLY.A 28 12.11 9.92 20.97 11.98 9.82 21.77 12.05 9.87 21.37 1 0 1000.00 -999 ? >PHE^A 29 15.20 9.80 24.51 17.11 11.53 23.36 16.16 10.66 23.93 3 0 1000.00 -999 ? >GLN^A 30 11.31 2.61 24.51 11.44 0.51 24.12 11.37 1.56 24.32 2 0 1000.00 -999 ? >PHE^A 31 13.87 6.48 29.87 14.48 9.14 29.18 14.18 7.81 29.53 3 0 1000.00 -999 ? >HIS^A 32 14.20 -0.77 28.65 13.32 -1.23 26.80 13.76 -1.00 27.72 3 0 1000.00 -999 ? >LEU^A 33 13.61 1.04 35.37 13.02 3.12 35.29 13.32 2.08 35.33 3 0 1000.00 -999 ? >VAL^A 34 15.47 -3.35 35.62 15.94 -4.44 33.81 15.71 -3.89 34.71 3 0 1000.00 -999 ? >LYS^A 35 17.42 -4.95 38.40 14.43 -2.91 43.58 15.92 -3.93 40.99 2 0 1000.00 -999 ? >LEU^A 36 21.03 -7.33 36.55 20.34 -6.42 34.70 20.68 -6.87 35.62 3 0 1000.00 -999 ? >LEU^A 37 20.63 -10.93 40.68 21.62 -11.49 42.55 21.13 -11.21 41.61 3 0 1000.00 -999 ? >GLY^A 38 23.17 -13.36 38.06 23.21 -12.54 37.67 23.19 -12.95 37.86 1 0 1000.00 -999 ? >ASP^A 39 24.34 -13.75 33.84 24.38 -15.57 32.81 24.36 -14.66 33.32 2 0 1000.00 -999 ? >TYR.A 40 18.05 -14.07 32.36 16.07 -14.74 34.27 17.06 -14.40 33.31 3 0 1000.00 -999 ? >GLY.A 41 22.76 -15.23 28.70 22.50 -14.49 28.91 22.63 -14.86 28.80 1 0 1000.00 -999 ? >TRP.A 42 25.19 -15.74 25.99 28.60 -13.77 26.04 26.90 -14.76 26.01 3 0 1000.00 -999 ? >HIS.A 43 19.90 -10.07 25.77 19.27 -10.87 27.62 19.59 -10.47 26.70 3 0 1000.00 -999 ? >THR.A 44 21.28 -8.16 20.62 22.03 -8.88 18.74 21.65 -8.52 19.68 2 0 1000.00 -999 ? >HIS.A 45 19.79 -4.19 21.96 21.51 -3.66 23.06 20.65 -3.93 22.51 3 0 1000.00 -999 ? >ASP.A 49 23.77 3.28 20.56 25.18 2.94 19.06 24.47 3.11 19.81 2 0 1000.00 -999 ? >LYS^A 50 21.96 2.01 24.28 17.96 -2.88 24.53 19.96 -0.44 24.40 2 0 1000.00 -999 ? >VAL^A 51 22.92 3.88 27.37 23.06 6.11 27.27 22.99 5.00 27.32 3 0 1000.00 -999 ? >LEU^A 52 23.88 0.45 30.50 23.21 -1.16 29.14 23.54 -0.36 29.82 3 0 1000.00 -999 ? >PHE^A 53 22.94 5.91 34.97 23.28 7.30 37.48 23.11 6.61 36.23 3 0 1000.00 -999 ? >ALA^A 54 24.17 1.76 36.77 25.56 1.15 37.00 24.86 1.46 36.89 2 0 1000.00 -999 ? >VAL.A 55 22.05 3.49 39.40 20.11 4.42 39.41 21.08 3.95 39.40 3 0 1000.00 -999 ? >GLU.A 56 22.02 0.85 44.61 20.44 0.40 45.81 21.23 0.62 45.21 2 0 1000.00 -999 ? >GLY.A 57 25.08 -1.78 42.28 24.97 -1.34 41.54 25.02 -1.56 41.91 1 0 1000.00 -999 ? >ASP.A 58 29.18 -3.19 40.39 30.07 -1.81 41.66 29.63 -2.50 41.02 2 0 1000.00 -999 ? >MET?A 59 27.49 -4.72 36.69 24.81 -3.04 34.17 26.15 -3.88 35.43 2 0 1000.00 -999 ? >ALA.A 60 29.34 -5.98 33.66 30.39 -6.99 33.98 29.87 -6.49 33.82 2 0 1000.00 -999 ? >VAL.A 61 28.61 -6.59 30.00 27.38 -5.45 28.62 27.99 -6.02 29.31 3 0 1000.00 -999 ? >ASP.A 62 30.25 -10.98 28.79 30.81 -11.19 30.72 30.53 -11.09 29.76 2 0 1000.00 -999 ? >PHE.A 63 31.43 -7.09 24.40 30.72 -4.49 25.26 31.07 -5.79 24.83 3 0 1000.00 -999 ? >ALA.A 64 30.93 -12.51 22.29 30.17 -12.70 20.99 30.55 -12.61 21.64 2 0 1000.00 -999 ? >ASP.A 65 35.06 -11.00 20.18 35.05 -8.93 20.66 35.06 -9.96 20.42 2 0 1000.00 -999 ? >GLY.A 66 35.48 -12.21 24.91 35.25 -11.51 24.66 35.36 -11.86 24.79 1 0 1000.00 -999 ? >GLY.A 67 35.66 -8.44 25.70 35.13 -9.02 25.97 35.40 -8.73 25.84 1 0 1000.00 -999 ? >SER^A 68 34.24 -7.22 28.96 33.44 -8.73 30.53 33.84 -7.98 29.74 2 0 1000.00 -999 ? >MET?A 69 32.92 -3.93 30.34 31.35 -0.97 28.06 32.14 -2.45 29.20 2 0 1000.00 -999 ? >THR^A 70 32.52 -2.98 34.01 33.63 -3.55 35.68 33.08 -3.27 34.84 2 0 1000.00 -999 ? >ILE^A 71 28.39 -0.50 34.17 27.73 0.24 32.83 28.06 -0.13 33.50 3 0 1000.00 -999 ? >ARG.A 72 33.84 -0.61 39.67 34.83 0.30 42.47 34.34 -0.16 41.07 2 0 1000.00 -999 ? >GLU.A 73 26.21 3.06 42.49 26.10 2.83 44.63 26.15 2.94 43.56 2 0 1000.00 -999 ? >GLY.A 74 27.36 6.08 39.18 27.62 5.43 38.71 27.49 5.75 38.94 1 0 1000.00 -999 ? >GLU^A 75 31.25 4.49 36.51 32.90 3.17 36.45 32.08 3.83 36.48 2 0 1000.00 -999 ? >MET?A 76 27.43 5.10 32.49 25.10 8.63 31.30 26.27 6.86 31.89 2 0 1000.00 -999 ? >ALA^A 77 28.27 3.23 29.31 28.94 1.89 29.64 28.61 2.56 29.47 2 0 1000.00 -999 ? >VAL^A 78 26.98 2.54 25.85 27.59 4.13 24.51 27.29 3.33 25.18 3 0 1000.00 -999 ? >VAL^A 79 26.31 -0.90 24.31 25.63 -2.77 25.23 25.97 -1.84 24.77 3 0 1000.00 -999 ? >PRO.A 80 28.60 -1.79 20.91 26.65 -0.60 21.26 27.62 -1.20 21.08 3 0 1000.00 -999 ? >LYS.A 81 23.64 -1.54 18.31 19.32 1.19 15.37 21.48 -0.18 16.84 2 0 1000.00 -999 ? >SER.A 82 23.76 -5.21 17.08 23.31 -3.82 14.90 23.54 -4.52 15.99 2 0 1000.00 -999 ? >VAL.A 83 26.53 -6.72 19.15 28.57 -5.96 19.51 27.55 -6.34 19.33 3 0 1000.00 -999 ? >SER.A 84 25.50 -9.91 20.89 25.78 -12.29 21.49 25.64 -11.10 21.19 2 0 1000.00 -999 ? >HIS^A 85 25.02 -7.08 24.90 23.17 -6.10 25.00 24.10 -6.59 24.95 3 0 1000.00 -999 ? >ARG^A 86 26.62 -12.90 30.39 27.52 -15.72 29.59 27.07 -14.31 29.99 2 0 1000.00 -999 ? >PRO^A 87 22.43 -8.09 29.96 24.63 -8.62 30.23 23.53 -8.35 30.09 3 0 1000.00 -999 ? >ARG^A 88 28.77 -11.69 33.62 31.50 -10.20 34.04 30.14 -10.95 33.83 2 0 1000.00 -999 ? >SER^A 89 25.72 -8.61 37.87 24.76 -7.22 39.65 25.24 -7.91 38.76 2 0 1000.00 -999 ? >GLU^A 90 30.03 -10.73 41.68 30.57 -12.60 40.81 30.30 -11.67 41.24 2 0 1000.00 -999 ? >ASN^A 91 26.81 -8.32 44.46 28.03 -9.95 45.05 27.42 -9.14 44.76 2 0 1000.00 -999 ? >GLY^A 92 22.72 -6.97 42.10 23.47 -6.62 41.99 23.09 -6.80 42.05 1 0 1000.00 -999 ? >CYH^A 93 22.46 -3.69 40.11 23.47 -2.23 37.91 22.96 -2.96 39.01 2 0 1000.00 -999 ? >SER^A 94 19.59 -1.25 39.41 18.72 -0.93 41.59 19.15 -1.09 40.50 2 0 1000.00 -999 ? >LEU^A 95 20.40 -1.33 34.90 20.92 -1.50 32.79 20.66 -1.41 33.85 3 0 1000.00 -999 ? >VAL^A 96 18.33 2.48 33.68 17.42 4.43 34.23 17.88 3.45 33.96 3 0 1000.00 -999 ? >LEU^A 97 18.33 0.49 29.55 19.24 -0.80 28.07 18.78 -0.16 28.81 3 0 1000.00 -999 ? >ILE^A 98 18.63 5.99 27.74 18.60 7.28 28.33 18.62 6.64 28.04 3 0 1000.00 -999 ? >GLU^A 99 16.59 1.16 23.53 15.13 -0.35 23.15 15.86 0.41 23.34 2 0 1000.00 -999 ? >LEU.A 100 16.60 5.73 19.56 17.07 7.74 18.81 16.83 6.73 19.18 3 0 1000.00 -999 ? >GLU.B 4 33.84 2.40 25.50 32.67 0.89 24.55 33.25 1.65 25.03 2 0 1000.00 -999 ? >THR.B 5 32.79 3.91 30.83 33.33 2.61 32.46 33.06 3.26 31.65 2 0 1000.00 -999 ? >ILE^B 6 30.99 8.11 31.57 31.57 8.97 30.51 31.28 8.54 31.04 3 0 1000.00 -999 ? >ASN^B 7 33.39 7.59 37.00 32.61 7.65 38.94 33.00 7.62 37.97 2 0 1000.00 -999 ? >LEU~B 8 28.47 10.58 36.53 27.11 10.11 34.79 27.79 10.34 35.66 3 0 1000.00 -999 ? >LYS~B 9 31.17 11.94 39.71 29.16 11.11 44.53 30.17 11.52 42.12 2 0 1000.00 -999 ? >GLN~B 10 36.24 10.44 37.47 37.21 8.54 37.52 36.73 9.49 37.50 2 0 1000.00 -999 ? >HIS~B 11 34.13 12.47 33.30 35.23 11.42 31.85 34.68 11.95 32.57 3 0 1000.00 -999 ? >LEU~B 12 30.68 16.17 37.79 28.81 15.69 36.79 29.74 15.93 37.29 3 0 1000.00 -999 ? >ALA~B 13 34.44 17.05 40.04 35.01 15.99 41.00 34.73 16.52 40.52 2 0 1000.00 -999 ? >ALA~B 14 37.02 18.02 37.30 37.50 17.11 36.15 37.26 17.56 36.73 2 0 1000.00 -999 ? >ILE.B 15 33.73 20.51 34.94 32.91 20.86 34.78 33.32 20.69 34.86 3 0 1000.00 -999 ? >LYS.B 16 34.84 23.77 38.43 35.80 27.33 42.41 35.32 25.55 40.42 2 0 1000.00 -999 ? >GLU.B 17 35.27 27.38 34.55 35.12 29.03 35.91 35.19 28.21 35.23 2 0 1000.00 -999 ? >TYR.B 18 28.84 27.54 37.70 28.26 26.46 40.17 28.55 27.00 38.93 3 0 1000.00 -999 ? >TRP.B 19 26.32 29.08 34.13 22.63 28.07 33.21 24.48 28.57 33.67 3 0 1000.00 -999 ? >GLN.B 20 32.32 27.21 30.42 33.61 28.55 31.44 32.97 27.88 30.93 2 0 1000.00 -999 ? >PRO.B 21 29.15 23.09 27.45 30.01 22.55 29.46 29.58 22.82 28.46 3 0 1000.00 -999 ? >GLU^B 22 34.36 17.47 29.52 35.41 16.23 30.94 34.88 16.85 30.23 2 0 1000.00 -999 ? >ILE^B 23 31.26 17.56 24.69 30.76 18.20 23.64 31.01 17.88 24.16 3 0 1000.00 -999 ? >ILE^B 24 32.14 12.31 27.00 32.80 11.76 28.14 32.47 12.03 27.57 3 0 1000.00 -999 ? >ASN^B 25 32.03 11.14 21.32 31.38 13.03 20.61 31.71 12.08 20.97 2 0 1000.00 -999 ? >ARG^B 26 32.33 6.29 25.58 34.64 7.47 27.31 33.48 6.88 26.44 2 0 1000.00 -999 ? >HIS.B 27 29.64 3.06 20.42 31.00 1.55 20.99 30.32 2.30 20.70 3 0 1000.00 -999 ? >GLY.B 28 25.99 7.13 18.60 26.21 7.03 19.39 26.10 7.08 19.00 1 0 1000.00 -999 ? >PHE^B 29 24.23 7.64 22.97 21.86 6.13 22.84 23.04 6.89 22.90 3 0 1000.00 -999 ? >GLN^B 30 27.87 14.77 22.34 28.15 16.18 20.75 28.01 15.47 21.55 2 0 1000.00 -999 ? >PHE^B 31 27.21 11.04 27.39 26.34 8.42 26.85 26.77 9.73 27.12 3 0 1000.00 -999 ? >HIS^B 32 26.48 18.27 25.92 26.66 18.76 23.88 26.57 18.51 24.90 3 0 1000.00 -999 ? >LEU^B 33 29.49 16.63 32.31 29.72 14.44 32.36 29.60 15.54 32.33 3 0 1000.00 -999 ? >VAL^B 34 27.85 21.03 32.84 26.85 21.99 31.25 27.35 21.51 32.05 3 0 1000.00 -999 ? >LYS^B 35 27.10 22.73 36.05 31.45 20.22 40.05 29.28 21.47 38.05 2 0 1000.00 -999 ? >LEU^B 36 22.84 24.57 36.03 22.58 24.00 33.92 22.71 24.28 34.98 3 0 1000.00 -999 ? >LEU^B 37 24.77 28.58 39.42 24.72 29.01 41.61 24.74 28.79 40.52 3 0 1000.00 -999 ? >GLY^B 38 20.85 30.94 38.27 21.06 30.23 37.87 20.95 30.59 38.07 1 0 1000.00 -999 ? >ASP^B 39 18.58 31.03 34.22 17.71 32.92 34.62 18.15 31.98 34.42 2 0 1000.00 -999 ? >TYR.B 40 23.63 32.13 31.03 26.02 32.90 32.25 24.83 32.52 31.64 3 0 1000.00 -999 ? >GLY.B 41 17.76 32.88 29.61 18.05 32.15 29.68 17.91 32.52 29.65 1 0 1000.00 -999 ? >TRP.B 42 13.60 33.06 27.91 10.78 30.42 28.66 12.19 31.74 28.29 3 0 1000.00 -999 ? >HIS.B 43 19.47 27.88 26.21 20.50 28.54 27.93 19.99 28.21 27.07 3 0 1000.00 -999 ? >THR.B 44 16.19 25.91 22.18 15.47 26.59 20.19 15.83 26.25 21.19 2 0 1000.00 -999 ? >SER.B 48 17.75 16.72 18.52 19.78 15.76 19.43 18.77 16.24 18.98 2 0 1000.00 -999 ? >ASP.B 49 15.03 14.48 22.03 13.35 14.69 20.80 14.19 14.59 21.41 2 0 1000.00 -999 ? >LYS^B 50 18.04 15.67 25.02 18.03 21.27 22.56 18.03 18.47 23.79 2 0 1000.00 -999 ? >VAL^B 51 17.71 13.60 28.15 17.49 11.46 28.39 17.60 12.53 28.27 3 0 1000.00 -999 ? >LEU^B 52 17.92 16.79 31.60 17.92 18.60 30.26 17.92 17.69 30.93 3 0 1000.00 -999 ? >PHE^B 53 20.72 11.65 35.38 21.36 10.22 37.74 21.04 10.93 36.56 3 0 1000.00 -999 ? >ALA^B 54 20.25 15.72 37.63 19.13 16.30 38.40 19.69 16.01 38.01 2 0 1000.00 -999 ? >VAL^B 55 23.32 14.03 38.86 25.14 13.29 37.93 24.23 13.66 38.39 3 0 1000.00 -999 ? >GLU^B 56 25.31 16.88 43.75 27.31 17.25 44.33 26.31 17.07 44.04 2 0 1000.00 -999 ? >GLY.B 57 21.55 19.13 43.20 21.31 18.54 42.74 21.43 18.83 42.97 1 0 1000.00 -999 ? >ASP.B 58 16.94 20.46 42.81 17.13 19.23 44.54 17.03 19.85 43.68 2 0 1000.00 -999 ? >MET?B 59 17.19 22.29 38.81 18.96 20.64 35.20 18.08 21.46 37.01 2 0 1000.00 -999 ? >ALA.B 60 14.09 23.38 36.84 13.12 24.35 37.50 13.61 23.86 37.17 2 0 1000.00 -999 ? >VAL.B 61 13.16 24.01 33.23 14.03 22.79 31.67 13.60 23.40 32.45 3 0 1000.00 -999 ? >ASP.B 62 10.85 28.10 32.32 11.01 28.62 34.36 10.93 28.36 33.34 2 0 1000.00 -999 ? >PHE.B 63 8.95 23.58 28.76 10.38 21.22 29.39 9.66 22.40 29.08 3 0 1000.00 -999 ? >ALA.B 64 7.49 28.50 26.13 7.94 28.51 24.64 7.72 28.51 25.39 2 0 1000.00 -999 ? >ASP.B 65 3.57 25.84 26.19 4.01 24.20 27.49 3.79 25.02 26.84 2 0 1000.00 -999 ? >GLY.B 66 3.99 28.23 30.39 4.37 27.55 30.23 4.18 27.89 30.31 1 0 1000.00 -999 ? >GLY.B 67 4.79 24.86 31.89 5.28 25.49 31.72 5.04 25.17 31.80 1 0 1000.00 -999 ? >SER^B 68 7.70 24.55 34.22 8.76 25.42 36.15 8.23 24.98 35.18 2 0 1000.00 -999 ? >MET?B 69 9.38 21.33 35.36 10.75 18.41 32.52 10.07 19.87 33.94 2 0 1000.00 -999 ? >THR^B 70 11.36 20.44 38.47 10.92 21.00 40.51 11.14 20.72 39.49 2 0 1000.00 -999 ? >ILE^B 71 15.11 17.93 36.77 15.42 17.42 35.43 15.27 17.68 36.10 3 0 1000.00 -999 ? >ARG.B 72 12.50 17.02 44.01 9.83 18.60 43.60 11.16 17.81 43.81 2 0 1000.00 -999 ? >GLU.B 73 20.61 14.24 43.68 22.06 14.67 45.12 21.34 14.45 44.40 2 0 1000.00 -999 ? >GLY.B 74 18.28 11.71 40.99 17.91 12.30 40.49 18.09 12.00 40.74 1 0 1000.00 -999 ? >GLU^B 75 14.09 13.09 40.16 12.33 14.28 40.63 13.21 13.68 40.39 2 0 1000.00 -999 ? >MET?B 76 15.62 12.28 34.52 17.67 8.83 33.05 16.64 10.56 33.78 2 0 1000.00 -999 ? >ALA^B 77 13.49 14.19 32.06 13.03 15.49 32.65 13.26 14.84 32.36 2 0 1000.00 -999 ? >VAL^B 78 13.65 14.99 28.38 12.70 13.45 27.12 13.18 14.22 27.75 3 0 1000.00 -999 ? >VAL^B 79 13.77 18.26 26.52 14.35 20.18 27.12 14.06 19.22 26.82 3 0 1000.00 -999 ? >PRO.B 80 10.28 18.18 23.88 12.54 17.87 23.76 11.41 18.03 23.82 3 0 1000.00 -999 ? >SER.B 82 12.44 22.72 19.02 12.85 21.15 17.19 12.65 21.93 18.11 2 0 1000.00 -999 ? >VAL.B 83 10.87 23.67 22.24 9.95 22.26 23.64 10.41 22.96 22.94 3 0 1000.00 -999 ? >SER.B 84 12.31 26.88 23.60 11.74 29.20 24.18 12.03 28.04 23.89 2 0 1000.00 -999 ? >HIS^B 85 14.59 24.41 27.04 16.32 23.70 26.08 15.45 24.06 26.56 3 0 1000.00 -999 ? >ARG^B 86 14.40 31.31 32.29 11.83 32.93 32.46 13.12 32.12 32.38 2 0 1000.00 -999 ? >PRO^B 87 18.60 25.98 30.12 16.85 26.16 31.55 17.72 26.07 30.83 3 0 1000.00 -999 ? >ARG^B 88 15.33 28.23 37.39 12.36 27.81 37.70 13.84 28.02 37.54 2 0 1000.00 -999 ? >SER^B 89 19.08 26.16 39.11 20.60 24.64 40.21 19.84 25.40 39.66 2 0 1000.00 -999 ? >GLU^B 90 16.57 28.25 44.41 15.41 29.93 43.87 15.99 29.09 44.14 2 0 1000.00 -999 ? >ASN^B 91 21.04 25.93 45.76 19.86 27.29 46.82 20.45 26.61 46.29 2 0 1000.00 -999 ? >GLY^B 92 23.33 24.77 41.62 22.67 24.38 41.86 23.00 24.57 41.74 1 0 1000.00 -999 ? >CYH^B 93 23.02 21.51 39.70 21.17 19.83 38.43 22.10 20.67 39.07 2 0 1000.00 -999 ? >SER^B 94 25.38 19.06 38.06 27.16 19.16 39.60 26.27 19.11 38.83 2 0 1000.00 -999 ? >LEU^B 95 22.81 18.75 34.55 21.34 19.00 32.88 22.07 18.87 33.71 3 0 1000.00 -999 ? >VAL^B 96 24.20 15.15 32.19 25.17 13.24 32.10 24.69 14.19 32.14 3 0 1000.00 -999 ? >LEU^B 97 22.76 17.07 28.03 21.65 18.94 28.17 22.21 18.01 28.10 3 0 1000.00 -999 ? >ILE^B 98 21.99 11.55 26.93 22.14 10.87 27.72 22.06 11.21 27.33 3 0 1000.00 -999 ? >GLU^B 99 23.36 14.87 22.23 23.57 16.74 21.20 23.46 15.80 21.72 2 0 1000.00 -999 ? >LEU.B 100 21.02 10.27 18.51 21.21 8.64 16.84 21.11 9.45 17.67 3 0 1000.00 -999 ? >GLU.C 4 12.52 69.84 47.80 11.04 70.04 49.31 11.78 69.94 48.55 2 0 1000.00 -999 ? >THR.C 5 15.77 65.23 48.60 16.79 66.49 49.99 16.28 65.86 49.29 2 0 1000.00 -999 ? >ILE^C 6 15.55 60.62 49.32 15.05 59.61 48.50 15.30 60.11 48.91 3 0 1000.00 -999 ? >ASN^C 7 16.09 61.67 55.04 17.40 61.23 56.68 16.75 61.45 55.86 2 0 1000.00 -999 ? >LEU~C 8 19.18 57.09 53.32 19.75 57.26 51.18 19.47 57.17 52.25 3 0 1000.00 -999 ? >LYS~C 9 17.86 56.88 57.64 21.61 57.27 61.40 19.74 57.08 59.52 2 0 1000.00 -999 ? >GLN~C 10 12.21 59.57 57.68 11.51 61.50 57.10 11.86 60.54 57.39 2 0 1000.00 -999 ? >HIS~C 11 12.13 57.70 52.70 11.05 59.03 51.50 11.59 58.36 52.10 3 0 1000.00 -999 ? >LEU~C 12 15.45 52.96 55.68 16.75 52.04 54.19 16.10 52.50 54.93 3 0 1000.00 -999 ? >ALA~C 13 12.81 53.40 59.31 13.00 54.62 60.21 12.90 54.01 59.76 2 0 1000.00 -999 ? >ALA.C 14 9.23 53.53 57.95 8.61 54.77 57.26 8.92 54.15 57.60 2 0 1000.00 -999 ? >ILE.C 15 10.77 50.01 54.99 10.91 49.78 53.54 10.84 49.89 54.27 3 0 1000.00 -999 ? >LYS.C 16 8.64 47.39 58.59 9.07 50.71 61.68 8.85 49.05 60.14 2 0 1000.00 -999 ? >GLU.C 17 6.56 42.99 56.25 5.84 43.50 58.19 6.20 43.25 57.22 2 0 1000.00 -999 ? >TYR.C 18 12.86 41.57 55.89 14.45 41.97 58.13 13.65 41.77 57.01 3 0 1000.00 -999 ? >TRP.C 19 12.56 39.26 51.77 15.44 39.84 49.17 14.00 39.55 50.47 3 0 1000.00 -999 ? >GLN.C 20 6.60 43.90 51.02 5.78 44.01 53.01 6.19 43.95 52.01 2 0 1000.00 -999 ? >PRO.C 21 10.25 46.77 46.16 10.05 47.32 48.37 10.15 47.05 47.27 3 0 1000.00 -999 ? >GLU^C 22 8.73 53.91 49.35 9.42 55.64 50.53 9.08 54.78 49.94 2 0 1000.00 -999 ? >ILE^C 23 9.53 52.42 43.50 9.45 51.54 43.23 9.49 51.98 43.37 3 0 1000.00 -999 ? >ILE^C 24 11.54 57.59 45.49 11.72 58.23 46.60 11.63 57.91 46.05 3 0 1000.00 -999 ? >ASN^C 25 10.59 58.87 40.03 10.30 56.85 39.50 10.45 57.86 39.77 2 0 1000.00 -999 ? >ARG^C 26 13.59 63.13 44.19 11.02 62.47 45.73 12.31 62.80 44.96 2 0 1000.00 -999 ? >HIS.C 27 15.02 65.48 37.88 14.51 67.37 38.64 14.76 66.42 38.26 3 0 1000.00 -999 ? >GLY.C 28 16.01 60.33 35.44 16.06 60.35 36.21 16.03 60.34 35.83 1 0 1000.00 -999 ? >PHE^C 29 19.05 58.80 38.83 21.44 59.43 37.58 20.24 59.11 38.21 3 0 1000.00 -999 ? >GLN^C 30 12.61 54.08 40.02 11.69 52.53 38.87 12.15 53.30 39.45 2 0 1000.00 -999 ? >PHE^C 31 16.55 56.81 44.15 18.24 58.87 43.22 17.40 57.84 43.68 3 0 1000.00 -999 ? >HIS^C 32 14.02 50.14 43.29 13.48 50.01 41.27 13.75 50.08 42.28 3 0 1000.00 -999 ? >LEU^C 33 14.42 52.32 50.11 14.63 54.49 50.04 14.52 53.41 50.07 3 0 1000.00 -999 ? >VAL^C 34 14.16 47.60 50.64 13.96 46.38 48.83 14.06 46.99 49.74 3 0 1000.00 -999 ? >LYS^C 35 15.35 45.56 53.59 14.33 48.84 58.92 14.84 47.20 56.25 2 0 1000.00 -999 ? >LEU^C 36 17.74 41.75 51.76 18.26 43.04 50.12 18.00 42.40 50.94 3 0 1000.00 -999 ? >LEU^C 37 16.19 39.08 56.30 16.74 37.93 58.08 16.47 38.50 57.19 3 0 1000.00 -999 ? >GLY^C 38 18.09 35.73 53.57 18.03 36.55 53.24 18.06 36.14 53.41 1 0 1000.00 -999 ? >ASP^C 39 18.19 34.79 48.99 17.73 32.77 48.94 17.96 33.78 48.97 2 0 1000.00 -999 ? >TYR.C 40 12.37 37.21 47.43 9.56 37.15 47.01 10.97 37.18 47.22 3 0 1000.00 -999 ? >GLY.C 41 15.83 34.08 44.28 16.15 34.75 44.42 15.99 34.42 44.35 1 0 1000.00 -999 ? >TRP.C 42 18.59 32.03 41.93 22.38 32.62 41.23 20.49 32.32 41.58 3 0 1000.00 -999 ? >HIS.C 43 15.55 39.01 40.97 14.69 38.51 42.81 15.12 38.76 41.89 3 0 1000.00 -999 ? >THR.C 44 17.79 39.73 35.74 18.54 38.45 34.14 18.17 39.09 34.94 2 0 1000.00 -999 ? >HIS.C 45 18.03 44.28 37.26 17.73 43.92 39.32 17.88 44.10 38.29 3 0 1000.00 -999 ? >GLY.C 46 17.13 43.37 31.13 17.24 44.11 31.49 17.19 43.74 31.31 1 0 1000.00 -999 ? >TYR.C 47 15.82 47.09 32.70 15.19 46.29 35.35 15.50 46.69 34.02 3 0 1000.00 -999 ? >SER.C 48 19.85 48.89 32.91 18.65 50.39 34.46 19.25 49.64 33.69 2 0 1000.00 -999 ? >ASP.C 49 24.15 48.93 35.22 25.19 48.46 33.43 24.67 48.70 34.33 2 0 1000.00 -999 ? >LYS^C 50 22.08 49.09 38.98 16.13 47.20 38.61 19.10 48.15 38.79 2 0 1000.00 -999 ? >VAL^C 51 23.90 50.70 41.87 24.75 52.64 41.94 24.32 51.67 41.91 3 0 1000.00 -999 ? >LEU^C 52 23.90 47.37 45.17 22.33 46.06 44.34 23.12 46.72 44.75 3 0 1000.00 -999 ? >PHE^C 53 24.70 52.95 49.28 25.66 54.26 51.63 25.18 53.61 50.45 3 0 1000.00 -999 ? >ALA^C 54 24.18 48.98 51.58 25.07 47.81 51.89 24.62 48.40 51.74 2 0 1000.00 -999 ? >VAL.C 55 23.01 51.33 54.20 21.56 52.89 53.85 22.29 52.11 54.03 3 0 1000.00 -999 ? >GLU.C 56 21.80 49.08 59.65 20.35 49.93 60.90 21.08 49.50 60.28 2 0 1000.00 -999 ? >GLY.C 57 24.16 45.71 57.26 24.26 46.10 56.53 24.21 45.90 56.89 1 0 1000.00 -999 ? >ASP.C 58 26.98 42.59 55.72 28.37 43.85 56.75 27.67 43.22 56.24 2 0 1000.00 -999 ? >MET?C 59 24.61 41.53 51.99 22.58 44.28 49.38 23.59 42.91 50.68 2 0 1000.00 -999 ? >ALA.C 60 25.92 39.65 48.99 26.56 38.34 49.31 26.24 39.00 49.15 2 0 1000.00 -999 ? >VAL.C 61 25.02 39.09 45.39 24.50 40.81 44.14 24.76 39.95 44.77 3 0 1000.00 -999 ? >ASP.C 62 25.01 34.43 44.13 25.15 34.05 46.21 25.08 34.24 45.17 2 0 1000.00 -999 ? >PHE.C 63 27.30 37.72 39.84 27.28 40.43 40.56 27.29 39.08 40.20 3 0 1000.00 -999 ? >ALA.C 64 25.40 32.72 37.55 24.56 33.00 36.33 24.98 32.86 36.94 2 0 1000.00 -999 ? >ASP.C 65 29.95 33.09 35.99 30.81 34.63 37.24 30.38 33.86 36.61 2 0 1000.00 -999 ? >GLY.C 66 29.75 31.04 40.33 29.67 31.84 40.20 29.71 31.44 40.26 1 0 1000.00 -999 ? >GLY.C 67 30.96 34.52 41.37 30.26 34.15 41.58 30.61 34.33 41.48 1 0 1000.00 -999 ? >SER^C 68 29.95 36.29 44.56 28.81 34.53 45.54 29.38 35.41 45.05 2 0 1000.00 -999 ? >MET?C 69 30.24 39.94 45.65 29.28 43.30 43.17 29.76 41.62 44.41 2 0 1000.00 -999 ? >THR^C 70 29.91 41.12 49.26 30.85 40.14 50.90 30.38 40.63 50.08 2 0 1000.00 -999 ? >ILE^C 71 27.41 45.25 49.15 27.16 45.46 48.15 27.28 45.35 48.65 3 0 1000.00 -999 ? >ARG.C 72 32.51 43.87 54.71 33.76 41.06 54.23 33.14 42.47 54.47 2 0 1000.00 -999 ? >GLU.C 73 26.63 49.56 57.31 26.79 49.80 59.38 26.71 49.68 58.35 2 0 1000.00 -999 ? >GLY.C 74 28.89 51.83 53.67 28.83 51.12 53.28 28.86 51.47 53.48 1 0 1000.00 -999 ? >GLU^C 75 31.35 48.26 51.67 32.85 46.89 51.04 32.10 47.58 51.36 2 0 1000.00 -999 ? >MET?C 76 28.51 50.48 46.99 27.52 54.60 45.87 28.01 52.54 46.43 2 0 1000.00 -999 ? >ALA^C 77 28.66 48.37 43.85 28.79 47.01 44.33 28.72 47.69 44.09 2 0 1000.00 -999 ? >VAL^C 78 27.06 48.04 40.45 27.35 49.28 38.73 27.20 48.66 39.59 3 0 1000.00 -999 ? >VAL^C 79 25.14 45.06 39.08 23.86 43.65 40.01 24.50 44.36 39.55 3 0 1000.00 -999 ? >PRO.C 80 26.74 43.16 35.39 25.45 44.83 36.05 26.09 43.99 35.72 3 0 1000.00 -999 ? >LYS.C 81 22.33 44.66 33.06 23.48 47.98 29.01 22.91 46.32 31.04 2 0 1000.00 -999 ? >SER.C 82 21.49 41.36 31.51 21.14 42.52 29.33 21.31 41.94 30.42 2 0 1000.00 -999 ? >VAL.C 83 22.93 39.03 34.09 24.90 39.90 34.63 23.91 39.47 34.36 3 0 1000.00 -999 ? >SER.C 84 21.11 36.68 36.34 20.20 34.50 36.82 20.65 35.59 36.58 2 0 1000.00 -999 ? >HIS^C 85 21.68 39.80 40.01 20.21 41.28 39.85 20.94 40.54 39.93 3 0 1000.00 -999 ? >ARG^C 86 21.15 33.85 45.45 21.55 30.85 45.78 21.35 32.35 45.62 2 0 1000.00 -999 ? >PRO^C 87 19.49 40.72 44.81 20.66 38.98 45.70 20.08 39.85 45.26 3 0 1000.00 -999 ? >ARG^C 88 23.58 34.56 48.89 26.54 34.89 49.84 25.06 34.73 49.36 2 0 1000.00 -999 ? >SER^C 89 21.69 38.89 53.24 21.17 40.41 55.00 21.43 39.65 54.12 2 0 1000.00 -999 ? >GLU^C 90 23.82 34.60 56.94 25.69 34.10 57.85 24.76 34.35 57.39 2 0 1000.00 -999 ? >ASN^C 91 22.89 39.26 59.96 23.87 37.51 60.54 23.38 38.39 60.25 2 0 1000.00 -999 ? >GLY^C 92 19.69 41.78 57.40 20.49 41.79 57.31 20.09 41.79 57.36 1 0 1000.00 -999 ? >CYH^C 93 20.56 44.81 55.32 22.25 45.46 53.12 21.41 45.14 54.22 2 0 1000.00 -999 ? >SER^C 94 18.84 48.05 54.39 18.07 49.05 56.42 18.46 48.55 55.40 2 0 1000.00 -999 ? >LEU^C 95 19.04 47.30 49.91 20.08 46.60 48.20 19.56 46.95 49.05 3 0 1000.00 -999 ? >VAL^C 96 19.18 51.49 48.27 19.09 53.65 48.58 19.13 52.57 48.42 3 0 1000.00 -999 ? >LEU^C 97 18.19 49.49 44.13 18.28 47.31 44.06 18.23 48.40 44.10 3 0 1000.00 -999 ? >ILE^C 98 20.79 54.18 42.06 21.37 55.44 42.49 21.08 54.81 42.28 3 0 1000.00 -999 ? >GLU^C 99 16.23 51.63 38.26 15.43 49.71 38.30 15.83 50.67 38.28 2 0 1000.00 -999 ? >LEU^C 100 18.36 54.40 33.84 20.54 54.88 33.49 19.45 54.64 33.67 3 0 1000.00 -999 ? >GLU.D 4 37.14 44.76 42.86 36.76 43.48 44.56 36.95 44.12 43.71 2 0 1000.00 -999 ? >THR.D 5 32.92 47.04 45.62 32.92 45.76 47.30 32.92 46.40 46.46 2 0 1000.00 -999 ? >ILE^D 6 33.21 51.89 45.87 34.29 52.07 45.18 33.75 51.98 45.52 3 0 1000.00 -999 ? >ASN^D 7 34.93 50.77 51.40 34.39 51.42 53.34 34.66 51.09 52.37 2 0 1000.00 -999 ? >LEU~D 8 31.44 55.31 50.80 30.15 55.04 48.99 30.80 55.17 49.90 3 0 1000.00 -999 ? >LYS~D 9 34.76 55.81 53.75 33.74 55.56 58.19 34.25 55.68 55.97 2 0 1000.00 -999 ? >GLN~D 10 38.26 52.10 53.99 38.35 49.97 53.61 38.30 51.03 53.80 2 0 1000.00 -999 ? >HIS~D 11 37.59 54.70 47.55 38.42 53.33 46.21 38.01 54.02 46.88 3 0 1000.00 -999 ? >LEU~D 12 35.68 59.58 51.82 34.04 60.01 50.40 34.86 59.79 51.11 3 0 1000.00 -999 ? >ALA~D 13 39.74 59.06 53.89 39.89 57.91 54.88 39.81 58.49 54.38 2 0 1000.00 -999 ? >ALA~D 14 42.40 58.63 51.13 42.44 57.36 50.34 42.42 57.99 50.74 2 0 1000.00 -999 ? >ILE.D 15 40.40 62.20 49.23 39.42 62.33 48.11 39.91 62.27 48.67 3 0 1000.00 -999 ? >TYR.D 18 38.42 70.42 50.72 37.52 69.89 53.30 37.97 70.15 52.01 3 0 1000.00 -999 ? >TRP.D 19 37.08 72.82 46.65 33.26 72.90 45.74 35.17 72.86 46.19 3 0 1000.00 -999 ? >GLN.D 20 42.59 67.03 44.06 42.97 69.04 44.18 42.78 68.03 44.12 2 0 1000.00 -999 ? >PRO.D 21 37.43 65.86 40.65 37.97 65.05 42.71 37.70 65.46 41.68 3 0 1000.00 -999 ? >GLU^D 22 39.62 58.85 44.01 39.14 56.84 44.69 39.38 57.85 44.35 2 0 1000.00 -999 ? >ILE^D 23 37.34 59.46 38.11 37.13 60.13 37.51 37.24 59.79 37.81 3 0 1000.00 -999 ? >ILE^D 24 35.44 54.79 40.91 35.74 54.03 42.16 35.59 54.41 41.54 3 0 1000.00 -999 ? >ASN^D 25 34.53 53.39 35.32 34.53 55.41 34.68 34.53 54.40 35.00 2 0 1000.00 -999 ? >ARG^D 26 33.33 48.99 39.95 36.03 49.54 41.42 34.68 49.26 40.68 2 0 1000.00 -999 ? >HIS.D 27 29.58 46.76 35.03 30.29 44.92 35.74 29.93 45.84 35.39 3 0 1000.00 -999 ? >GLY.D 28 28.09 51.98 32.69 28.21 51.89 33.48 28.15 51.93 33.08 1 0 1000.00 -999 ? >PHE^D 29 26.30 53.44 37.06 23.57 53.27 37.00 24.93 53.35 37.03 3 0 1000.00 -999 ? >GLN^D 30 32.40 58.59 36.25 33.20 59.51 34.50 32.80 59.05 35.37 2 0 1000.00 -999 ? >PHE^D 31 30.51 55.71 41.42 28.95 53.47 41.05 29.73 54.59 41.23 3 0 1000.00 -999 ? >HIS^D 32 32.61 62.22 39.59 32.66 62.21 37.49 32.64 62.22 38.54 3 0 1000.00 -999 ? >LEU^D 33 35.06 59.84 45.77 34.52 57.72 46.05 34.79 58.78 45.91 3 0 1000.00 -999 ? >VAL^D 34 34.95 64.66 46.42 34.37 65.88 44.67 34.66 65.27 45.54 3 0 1000.00 -999 ? >LYS^D 35 35.01 66.94 49.38 38.74 63.22 52.88 36.87 65.08 51.13 2 0 1000.00 -999 ? >LEU^D 36 31.69 70.35 48.70 31.07 69.26 46.83 31.38 69.81 47.76 3 0 1000.00 -999 ? >LEU^D 37 35.50 73.40 51.79 35.91 74.05 53.87 35.71 73.73 52.83 3 0 1000.00 -999 ? >GLY^D 38 32.58 76.78 50.71 32.52 76.08 50.23 32.55 76.43 50.47 1 0 1000.00 -999 ? >ASP^D 39 31.77 78.72 47.06 30.43 78.80 45.58 31.10 78.76 46.32 2 0 1000.00 -999 ? >TYR.D 40 34.74 75.01 41.98 35.67 74.23 39.40 35.21 74.62 40.69 3 0 1000.00 -999 ? >GLY.D 41 30.73 78.44 41.40 30.55 77.72 41.58 30.64 78.08 41.49 1 0 1000.00 -999 ? >TRP.D 42 27.35 80.40 40.06 23.53 79.66 40.62 25.44 80.03 40.34 3 0 1000.00 -999 ? >HIS.D 43 29.92 73.50 38.12 31.78 73.83 39.03 30.85 73.67 38.58 3 0 1000.00 -999 ? >THR.D 44 25.67 72.72 34.16 25.46 74.14 32.54 25.56 73.43 33.35 2 0 1000.00 -999 ? >HIS.D 45 25.78 68.14 35.56 25.94 68.29 37.65 25.86 68.22 36.60 3 0 1000.00 -999 ? >GLY.D 46 24.89 67.78 29.73 25.14 67.20 30.11 25.01 67.49 29.92 1 0 1000.00 -999 ? >TYR.D 47 25.86 61.79 28.52 25.30 59.29 27.33 25.58 60.54 27.93 3 0 1000.00 -999 ? >ASP.D 49 19.96 63.07 35.92 18.31 64.03 34.95 19.13 63.55 35.43 2 0 1000.00 -999 ? >LYS^D 50 23.48 63.25 38.65 29.16 65.13 36.50 26.32 64.19 37.58 2 0 1000.00 -999 ? >VAL^D 51 22.79 61.45 41.97 22.02 59.42 42.46 22.41 60.44 42.22 3 0 1000.00 -999 ? >LEU^D 52 24.35 64.91 45.01 24.45 66.56 43.62 24.40 65.73 44.32 3 0 1000.00 -999 ? >PHE^D 53 25.07 59.26 49.43 24.84 58.13 52.05 24.95 58.70 50.74 3 0 1000.00 -999 ? >ALA^D 54 25.99 63.33 51.12 25.15 64.38 51.95 25.57 63.85 51.53 2 0 1000.00 -999 ? >VAL.D 55 28.25 60.96 52.83 29.59 59.38 52.15 28.92 60.17 52.49 3 0 1000.00 -999 ? >GLU.D 56 32.11 62.66 56.99 34.16 62.14 56.82 33.13 62.40 56.90 2 0 1000.00 -999 ? >GLY.D 57 28.69 66.40 56.30 28.38 66.09 55.60 28.54 66.25 55.95 1 0 1000.00 -999 ? >ASP.D 58 25.62 69.79 55.94 24.21 68.81 57.18 24.91 69.30 56.56 2 0 1000.00 -999 ? >MET?D 59 25.58 70.82 51.64 26.65 68.18 48.54 26.11 69.50 50.09 2 0 1000.00 -999 ? >ALA.D 60 23.31 72.64 49.31 22.61 73.77 49.97 22.96 73.21 49.64 2 0 1000.00 -999 ? >VAL.D 61 22.80 73.28 45.65 23.01 71.61 44.25 22.90 72.45 44.95 3 0 1000.00 -999 ? >ASP.D 62 22.45 77.96 44.70 23.26 78.22 46.69 22.85 78.09 45.70 2 0 1000.00 -999 ? >PHE.D 63 18.54 74.92 41.36 18.72 72.28 42.11 18.63 73.60 41.73 3 0 1000.00 -999 ? >ALA.D 64 19.45 79.94 38.65 19.51 79.69 37.13 19.48 79.81 37.89 2 0 1000.00 -999 ? >ASP.D 65 14.68 79.17 39.55 14.53 77.74 41.15 14.61 78.46 40.35 2 0 1000.00 -999 ? >GLY.D 66 17.14 81.22 43.19 16.81 80.43 43.14 16.98 80.82 43.17 1 0 1000.00 -999 ? >GLY.D 67 15.76 78.22 44.93 16.52 78.39 44.67 16.14 78.30 44.80 1 0 1000.00 -999 ? >SER^D 68 18.07 76.06 47.03 20.11 76.57 48.21 19.09 76.32 47.62 2 0 1000.00 -999 ? >MET?D 69 18.05 72.33 47.76 17.97 68.86 45.32 18.01 70.60 46.54 2 0 1000.00 -999 ? >THR^D 70 19.58 71.33 51.08 19.39 72.27 53.01 19.49 71.80 52.04 2 0 1000.00 -999 ? >ILE^D 71 22.19 67.43 50.08 22.44 66.88 48.90 22.31 67.16 49.49 3 0 1000.00 -999 ? >ARG.D 72 20.08 68.55 57.55 18.26 70.98 57.09 19.17 69.76 57.32 2 0 1000.00 -999 ? >GLU.D 73 25.66 62.60 57.48 27.13 62.94 58.90 26.39 62.77 58.19 2 0 1000.00 -999 ? >GLY.D 74 22.79 60.48 54.87 22.65 61.19 54.44 22.72 60.84 54.66 1 0 1000.00 -999 ? >GLU^D 75 19.22 63.65 53.83 17.92 65.37 54.13 18.57 64.51 53.98 2 0 1000.00 -999 ? >MET?D 76 20.44 61.67 48.50 21.05 57.60 47.22 20.74 59.64 47.86 2 0 1000.00 -999 ? >ALA^D 77 19.38 64.03 45.71 19.48 65.46 46.16 19.43 64.75 45.93 2 0 1000.00 -999 ? >VAL^D 78 19.45 64.45 41.92 17.68 63.38 41.33 18.57 63.91 41.63 3 0 1000.00 -999 ? >VAL^D 79 20.72 67.20 39.69 21.86 68.89 40.49 21.29 68.05 40.09 3 0 1000.00 -999 ? >PRO.D 80 17.80 69.02 37.20 19.24 67.30 36.98 18.52 68.16 37.09 3 0 1000.00 -999 ? >LYS.D 81 20.94 67.70 33.01 18.98 63.58 30.13 19.96 65.64 31.57 2 0 1000.00 -999 ? >SER.D 82 21.41 71.20 31.67 21.01 69.96 29.66 21.21 70.58 30.66 2 0 1000.00 -999 ? >VAL.D 83 20.55 73.15 34.71 18.97 72.70 36.21 19.76 72.92 35.46 3 0 1000.00 -999 ? >SER.D 84 22.81 75.94 35.95 23.56 78.31 36.23 23.18 77.13 36.09 2 0 1000.00 -999 ? >HIS^D 85 23.86 72.74 39.50 25.21 71.25 38.87 24.54 71.99 39.19 3 0 1000.00 -999 ? >ARG^D 86 27.29 78.99 44.21 26.02 81.67 44.94 26.66 80.33 44.58 2 0 1000.00 -999 ? >PRO^D 87 28.53 72.54 42.90 26.94 73.53 44.12 27.74 73.04 43.51 3 0 1000.00 -999 ? >ARG^D 88 26.08 77.77 48.59 23.78 77.69 50.71 24.93 77.73 49.65 2 0 1000.00 -999 ? >SER^D 89 29.08 73.50 51.45 29.73 71.66 52.78 29.40 72.58 52.11 2 0 1000.00 -999 ? >GLU^D 90 27.88 77.58 56.04 27.85 79.44 55.00 27.87 78.51 55.52 2 0 1000.00 -999 ? >ASN^D 91 30.37 73.35 57.92 30.29 74.94 59.26 30.33 74.15 58.59 2 0 1000.00 -999 ? >GLY^D 92 32.36 70.95 54.42 31.59 70.89 54.62 31.98 70.92 54.52 1 0 1000.00 -999 ? >CYH^D 93 30.90 67.81 52.84 28.45 66.94 51.68 29.68 67.38 52.26 2 0 1000.00 -999 ? >SER^D 94 32.22 64.47 51.63 33.60 63.82 53.61 32.91 64.14 52.62 2 0 1000.00 -999 ? >LEU^D 95 30.05 64.89 47.57 28.55 65.26 45.90 29.30 65.08 46.73 3 0 1000.00 -999 ? >VAL^D 96 29.63 60.76 46.12 29.85 58.67 46.44 29.74 59.71 46.28 3 0 1000.00 -999 ? >LEU^D 97 28.78 62.84 42.01 28.71 64.91 41.63 28.74 63.88 41.82 3 0 1000.00 -999 ? >ILE^D 98 25.73 58.00 41.09 25.80 57.49 41.77 25.76 57.75 41.43 3 0 1000.00 -999 ? >GLU^D 99 28.11 60.57 35.53 29.03 62.40 35.47 28.57 61.48 35.50 2 0 1000.00 -999 ? >LEU.D 100 25.29 58.19 32.49 23.46 57.11 32.61 24.37 57.65 32.55 3 0 1000.00 -999 ? >SER.D 101 28.86 57.39 30.63 29.95 55.87 32.15 29.41 56.63 31.39 2 0 1000.00 -999 ? >ASP.D 102 29.78 57.57 26.02 31.28 58.42 27.27 30.53 57.99 26.65 2 0 1000.00 -999 ? >GLU.E 4 -39.47 3.98 31.90 -41.47 3.39 31.74 -40.47 3.68 31.82 2 0 1000.00 -999 ? >THR.E 5 -34.65 3.25 33.26 -34.86 4.77 34.74 -34.76 4.01 34.00 2 0 1000.00 -999 ? >ILE^E 6 -33.13 -1.28 33.81 -33.03 -2.20 32.86 -33.08 -1.74 33.33 3 0 1000.00 -999 ? >ASN^E 7 -34.08 -0.01 39.65 -32.90 0.40 41.39 -33.49 0.19 40.52 2 0 1000.00 -999 ? >LEU~E 8 -29.38 -3.02 37.85 -28.56 -2.44 35.97 -28.97 -2.73 36.91 3 0 1000.00 -999 ? >LYS~E 9 -30.57 -3.99 41.86 -26.24 -2.86 44.73 -28.40 -3.42 43.30 2 0 1000.00 -999 ? >GLN~E 10 -35.76 -2.02 43.10 -35.98 0.10 42.84 -35.87 -0.96 42.97 2 0 1000.00 -999 ? >HIS~E 11 -35.56 -5.01 36.98 -37.12 -4.08 35.93 -36.34 -4.54 36.46 3 0 1000.00 -999 ? >LEU~E 12 -30.99 -8.21 40.62 -29.80 -8.47 38.74 -30.40 -8.34 39.68 3 0 1000.00 -999 ? >ALA~E 13 -33.98 -8.83 44.00 -34.20 -7.81 45.04 -34.09 -8.32 44.52 2 0 1000.00 -999 ? >ALA~E 14 -37.20 -9.95 42.29 -38.10 -9.12 41.38 -37.65 -9.53 41.84 2 0 1000.00 -999 ? >ILE~E 15 -34.33 -12.75 39.42 -33.96 -12.92 38.05 -34.14 -12.84 38.74 3 0 1000.00 -999 ? >LYS.E 16 -35.35 -15.80 43.02 -40.95 -13.96 45.67 -38.15 -14.88 44.35 2 0 1000.00 -999 ? >GLU.E 17 -36.28 -19.62 40.51 -36.10 -21.17 41.93 -36.19 -20.40 41.22 2 0 1000.00 -999 ? >TYR.E 18 -28.93 -19.40 41.01 -27.87 -18.51 43.39 -28.40 -18.95 42.20 3 0 1000.00 -999 ? >TRP.E 19 -27.83 -21.54 37.12 -25.05 -20.48 34.52 -26.44 -21.01 35.82 3 0 1000.00 -999 ? >GLN.E 20 -34.54 -19.71 36.23 -36.46 -20.20 36.93 -35.50 -19.96 36.58 2 0 1000.00 -999 ? >PRO.E 21 -32.55 -16.31 30.93 -33.02 -15.44 32.99 -32.78 -15.88 31.96 3 0 1000.00 -999 ? >GLU^E 22 -36.86 -10.06 34.11 -36.89 -8.30 35.44 -36.88 -9.18 34.77 2 0 1000.00 -999 ? >ILE^E 23 -35.46 -10.98 28.07 -34.21 -11.28 27.86 -34.84 -11.13 27.97 3 0 1000.00 -999 ? >ILE^E 24 -35.51 -5.56 30.14 -35.73 -5.03 31.35 -35.62 -5.29 30.74 3 0 1000.00 -999 ? >ASN^E 25 -36.43 -4.71 24.33 -35.69 -6.52 23.47 -36.06 -5.61 23.90 2 0 1000.00 -999 ? >ARG^E 26 -36.30 0.29 28.28 -37.77 -0.78 30.80 -37.03 -0.24 29.54 2 0 1000.00 -999 ? >HIS.E 27 -34.82 2.97 22.25 -36.02 4.47 23.10 -35.42 3.72 22.68 3 0 1000.00 -999 ? >GLY.E 28 -31.72 -1.21 19.91 -31.72 -1.15 20.70 -31.72 -1.18 20.30 1 0 1000.00 -999 ? >PHE^E 29 -28.55 -1.60 23.51 -26.19 -0.48 22.51 -27.37 -1.04 23.01 3 0 1000.00 -999 ? >GLN^E 30 -32.17 -8.50 24.78 -32.67 -10.11 23.52 -32.42 -9.30 24.15 2 0 1000.00 -999 ? >PHE^E 31 -30.51 -4.14 29.01 -29.69 -1.60 28.28 -30.10 -2.87 28.65 3 0 1000.00 -999 ? >HIS^E 32 -30.12 -11.39 28.46 -30.74 -12.22 26.62 -30.43 -11.80 27.54 3 0 1000.00 -999 ? >LEU^E 33 -31.70 -9.15 35.00 -31.98 -6.97 34.58 -31.84 -8.06 34.79 3 0 1000.00 -999 ? >VAL^E 34 -29.72 -13.50 35.56 -28.50 -14.82 34.35 -29.11 -14.16 34.96 3 0 1000.00 -999 ? >LYS^E 35 -28.12 -15.06 38.72 -31.67 -12.20 43.05 -29.90 -13.63 40.88 2 0 1000.00 -999 ? >LEU^E 36 -24.17 -17.19 37.34 -24.15 -16.03 35.41 -24.16 -16.61 36.38 3 0 1000.00 -999 ? >LEU^E 37 -24.99 -20.61 41.76 -24.37 -21.41 43.63 -24.68 -21.01 42.70 3 0 1000.00 -999 ? >GLY^E 38 -21.87 -23.08 39.39 -22.03 -22.35 39.04 -21.95 -22.72 39.21 1 0 1000.00 -999 ? >ASP^E 39 -20.64 -23.48 34.94 -20.11 -25.50 34.40 -20.38 -24.49 34.67 2 0 1000.00 -999 ? >TYR.E 40 -26.44 -24.37 32.98 -28.65 -25.14 34.50 -27.54 -24.76 33.74 3 0 1000.00 -999 ? >GLY.E 41 -21.32 -25.78 30.16 -21.44 -25.05 30.27 -21.38 -25.41 30.22 1 0 1000.00 -999 ? >TRP.E 42 -17.83 -26.50 27.94 -14.79 -23.97 27.93 -16.31 -25.23 27.93 3 0 1000.00 -999 ? >HIS.E 43 -23.82 -21.71 26.76 -24.54 -22.69 28.47 -24.18 -22.20 27.61 3 0 1000.00 -999 ? >THR.E 44 -21.55 -19.80 21.70 -20.56 -20.57 19.89 -21.05 -20.19 20.80 2 0 1000.00 -999 ? >HIS.E 45 -22.97 -15.22 23.16 -22.89 -15.17 25.26 -22.93 -15.20 24.21 3 0 1000.00 -999 ? >TYR.E 47 -27.20 -14.70 16.08 -28.25 -17.09 14.95 -27.73 -15.89 15.51 3 0 1000.00 -999 ? >ASP.E 49 -19.85 -8.46 20.92 -18.44 -8.77 19.33 -19.15 -8.61 20.12 2 0 1000.00 -999 ? >LYS^E 50 -22.20 -9.14 24.65 -26.37 -14.00 23.84 -24.29 -11.57 24.25 2 0 1000.00 -999 ? >VAL^E 51 -21.30 -6.91 27.56 -20.81 -4.79 27.73 -21.06 -5.85 27.64 3 0 1000.00 -999 ? >LEU^E 52 -20.53 -10.04 31.06 -21.15 -11.84 30.03 -20.84 -10.94 30.55 3 0 1000.00 -999 ? >PHE^E 53 -22.17 -4.39 35.17 -21.83 -2.81 37.47 -22.00 -3.60 36.32 3 0 1000.00 -999 ? >ALA^E 54 -21.24 -8.17 37.51 -19.94 -8.83 37.91 -20.59 -8.50 37.71 2 0 1000.00 -999 ? >VAL^E 55 -23.70 -6.55 39.88 -25.49 -5.70 39.08 -24.60 -6.13 39.48 3 0 1000.00 -999 ? >GLU^E 56 -25.73 -8.10 44.42 -27.74 -8.99 44.27 -26.74 -8.55 44.35 2 0 1000.00 -999 ? >GLY^E 57 -20.51 -10.91 43.53 -20.55 -10.46 42.90 -20.53 -10.69 43.21 1 0 1000.00 -999 ? >ASP.E 58 -16.67 -12.95 42.06 -15.81 -11.30 43.14 -16.24 -12.13 42.60 2 0 1000.00 -999 ? >MET?E 59 -17.85 -14.70 38.19 -20.53 -13.12 35.43 -19.19 -13.91 36.81 2 0 1000.00 -999 ? >ALA.E 60 -15.52 -15.99 35.56 -14.39 -16.84 36.13 -14.95 -16.42 35.85 2 0 1000.00 -999 ? >VAL.E 61 -15.57 -17.08 31.86 -16.73 -15.88 30.51 -16.15 -16.48 31.19 3 0 1000.00 -999 ? >ASP.E 62 -13.42 -21.18 30.89 -13.44 -21.30 33.06 -13.43 -21.24 31.98 2 0 1000.00 -999 ? >PHE.E 63 -12.43 -17.48 26.40 -13.43 -15.03 27.31 -12.93 -16.26 26.85 3 0 1000.00 -999 ? >ALA.E 64 -12.30 -22.80 24.26 -13.09 -22.77 22.89 -12.69 -22.78 23.58 2 0 1000.00 -999 ? >ASP.E 65 -8.58 -20.29 22.72 -8.18 -18.60 23.98 -8.38 -19.45 23.35 2 0 1000.00 -999 ? >GLY.E 66 -7.55 -21.99 27.03 -8.01 -21.38 26.93 -7.78 -21.68 26.98 1 0 1000.00 -999 ? >GLY.E 67 -7.91 -18.49 28.51 -8.43 -19.05 28.61 -8.17 -18.77 28.56 1 0 1000.00 -999 ? >SER^E 68 -9.86 -17.21 31.50 -9.37 -19.33 32.51 -9.61 -18.27 32.00 2 0 1000.00 -999 ? >MET?E 69 -11.45 -13.93 32.48 -13.30 -11.57 29.86 -12.37 -12.75 31.17 2 0 1000.00 -999 ? >THR^E 70 -12.35 -13.22 36.05 -11.49 -13.66 38.02 -11.92 -13.44 37.03 2 0 1000.00 -999 ? >ILE^E 71 -16.28 -10.53 35.47 -16.82 -10.14 34.18 -16.55 -10.34 34.83 3 0 1000.00 -999 ? >ARG.E 72 -12.28 -9.61 41.76 -10.58 -12.20 41.64 -11.43 -10.90 41.70 2 0 1000.00 -999 ? >GLU.E 73 -20.04 -6.38 43.20 -20.45 -6.78 45.25 -20.24 -6.58 44.22 2 0 1000.00 -999 ? >GLY.E 74 -18.37 -3.90 39.68 -18.10 -4.53 39.25 -18.24 -4.21 39.47 1 0 1000.00 -999 ? >GLU^E 75 -14.58 -5.84 37.99 -12.64 -6.71 37.88 -13.61 -6.28 37.94 2 0 1000.00 -999 ? >MET?E 76 -17.48 -5.25 33.07 -19.53 -1.84 31.34 -18.50 -3.55 32.21 2 0 1000.00 -999 ? >ALA^E 77 -16.14 -7.24 30.11 -15.47 -8.49 30.69 -15.81 -7.87 30.40 2 0 1000.00 -999 ? >VAL^E 78 -17.22 -8.40 26.69 -16.76 -7.08 24.88 -16.99 -7.74 25.78 3 0 1000.00 -999 ? >VAL^E 79 -17.56 -11.94 25.20 -18.28 -13.66 26.31 -17.92 -12.80 25.75 3 0 1000.00 -999 ? >PRO.E 80 -14.82 -12.37 21.70 -17.02 -12.13 22.14 -15.92 -12.25 21.92 3 0 1000.00 -999 ? >LYS.E 81 -19.72 -13.62 19.23 -21.31 -12.89 15.06 -20.51 -13.26 17.15 2 0 1000.00 -999 ? >SER.E 82 -18.63 -17.06 17.92 -19.15 -15.66 16.02 -18.89 -16.36 16.97 2 0 1000.00 -999 ? >VAL.E 83 -16.21 -18.29 20.48 -15.17 -16.43 21.22 -15.69 -17.36 20.85 3 0 1000.00 -999 ? >SER.E 84 -17.11 -21.15 22.82 -17.22 -23.53 23.50 -17.17 -22.34 23.16 2 0 1000.00 -999 ? >HIS^E 85 -18.45 -17.95 26.28 -20.34 -17.16 25.82 -19.40 -17.55 26.05 3 0 1000.00 -999 ? >ARG^E 86 -17.57 -24.39 31.69 -15.03 -25.95 32.01 -16.30 -25.17 31.85 2 0 1000.00 -999 ? >PRO^E 87 -21.11 -18.25 30.30 -19.51 -19.01 31.69 -20.31 -18.63 31.00 3 0 1000.00 -999 ? >ARG^E 88 -15.93 -21.29 36.17 -13.14 -20.02 36.58 -14.53 -20.65 36.37 2 0 1000.00 -999 ? >SER^E 89 -19.49 -18.62 39.43 -20.60 -16.69 40.60 -20.05 -17.66 40.02 2 0 1000.00 -999 ? >GLU^E 90 -16.36 -20.56 44.41 -15.31 -22.22 43.53 -15.83 -21.39 43.97 2 0 1000.00 -999 ? >ASN^E 91 -19.65 -17.90 46.27 -18.20 -19.24 47.05 -18.93 -18.57 46.66 2 0 1000.00 -999 ? >GLY^E 92 -23.17 -16.76 43.19 -22.42 -16.45 43.04 -22.79 -16.60 43.12 1 0 1000.00 -999 ? >CYH^E 93 -23.26 -13.73 40.90 -21.83 -12.35 38.85 -22.54 -13.04 39.88 2 0 1000.00 -999 ? >SER^E 94 -25.88 -11.16 39.81 -27.45 -10.31 41.51 -26.66 -10.73 40.66 2 0 1000.00 -999 ? >LEU^E 95 -24.54 -11.65 35.35 -23.56 -11.85 33.46 -24.05 -11.75 34.40 3 0 1000.00 -999 ? >VAL^E 96 -26.34 -7.98 33.76 -27.47 -6.09 33.70 -26.91 -7.03 33.73 3 0 1000.00 -999 ? >LEU^E 97 -26.15 -10.36 29.86 -26.10 -11.50 28.03 -26.13 -10.93 28.95 3 0 1000.00 -999 ? >ILE^E 98 -25.34 -5.18 27.56 -25.32 -3.81 28.03 -25.33 -4.50 27.79 3 0 1000.00 -999 ? >GLU^E 99 -28.24 -9.10 23.68 -28.67 -11.14 23.29 -28.45 -10.12 23.49 2 0 1000.00 -999 ? >LEU.E 100 -27.51 -4.93 19.25 -26.16 -6.02 17.86 -26.84 -5.48 18.55 3 0 1000.00 -999 ? >GLU.F 4 -7.94 -6.64 31.37 -7.87 -8.30 32.78 -7.90 -7.47 32.08 2 0 1000.00 -999 ? >THR.F 5 -12.06 -6.70 32.36 -11.58 -7.95 34.03 -11.82 -7.33 33.19 2 0 1000.00 -999 ? >ILE^F 6 -13.58 -2.33 32.08 -13.90 -1.32 30.95 -13.74 -1.83 31.52 3 0 1000.00 -999 ? >ASN^F 7 -11.68 -2.47 37.89 -12.60 -2.25 39.83 -12.14 -2.36 38.86 2 0 1000.00 -999 ? >LEU~F 8 -16.76 0.46 36.82 -17.89 -0.26 34.97 -17.32 0.10 35.90 3 0 1000.00 -999 ? >LYS~F 9 -14.51 1.86 40.30 -15.44 0.42 46.40 -14.97 1.14 43.35 2 0 1000.00 -999 ? >GLN~F 10 -9.14 0.68 38.49 -7.77 -1.00 38.32 -8.46 -0.16 38.40 2 0 1000.00 -999 ? >HIS~F 11 -10.78 2.07 34.32 -9.58 1.21 32.84 -10.18 1.64 33.58 3 0 1000.00 -999 ? >LEU~F 12 -14.63 5.99 37.90 -16.48 5.68 36.72 -15.56 5.84 37.31 3 0 1000.00 -999 ? >ALA~F 13 -11.23 7.26 40.62 -10.68 6.22 41.58 -10.95 6.74 41.10 2 0 1000.00 -999 ? >ALA~F 14 -8.32 7.97 38.22 -7.66 6.87 37.38 -7.99 7.42 37.80 2 0 1000.00 -999 ? >ILE.F 15 -11.27 10.25 35.19 -12.10 9.05 34.47 -11.69 9.65 34.83 3 0 1000.00 -999 ? >LYS.F 16 -10.30 13.80 38.49 -6.60 10.75 41.33 -8.45 12.27 39.91 2 0 1000.00 -999 ? >GLU.F 17 -11.34 17.06 34.00 -9.49 17.58 33.15 -10.41 17.32 33.57 2 0 1000.00 -999 ? >TYR.F 18 -17.00 17.05 36.70 -17.46 16.37 39.35 -17.23 16.71 38.02 3 0 1000.00 -999 ? >TRP.F 19 -18.45 18.77 32.60 -21.87 17.41 31.17 -20.16 18.09 31.89 3 0 1000.00 -999 ? >GLN.F 20 -12.17 16.10 31.17 -10.61 17.05 30.09 -11.39 16.57 30.63 2 0 1000.00 -999 ? >PRO.F 21 -15.32 12.09 26.82 -14.14 11.61 28.76 -14.73 11.85 27.79 3 0 1000.00 -999 ? >GLU^F 22 -10.35 6.14 30.22 -10.09 4.94 32.06 -10.22 5.54 31.14 2 0 1000.00 -999 ? >ILE^F 23 -12.57 6.52 24.51 -13.01 7.25 23.55 -12.79 6.88 24.03 3 0 1000.00 -999 ? >ILE^F 24 -12.21 1.37 27.30 -11.62 0.74 28.48 -11.92 1.06 27.89 3 0 1000.00 -999 ? >ASN^F 25 -12.17 -0.29 21.82 -12.64 1.71 21.38 -12.40 0.71 21.60 2 0 1000.00 -999 ? >ARG^F 26 -11.73 -4.99 26.42 -10.02 -3.39 28.47 -10.87 -4.19 27.45 2 0 1000.00 -999 ? >HIS.F 27 -14.22 -8.43 21.40 -12.78 -9.86 21.91 -13.50 -9.15 21.65 3 0 1000.00 -999 ? >GLY.F 28 -17.19 -4.33 18.86 -17.16 -4.34 19.67 -17.17 -4.34 19.26 1 0 1000.00 -999 ? >PHE^F 29 -19.73 -3.71 22.99 -22.18 -5.11 22.75 -20.96 -4.41 22.87 3 0 1000.00 -999 ? >GLN^F 30 -15.87 3.36 22.16 -15.48 4.68 20.57 -15.67 4.02 21.36 2 0 1000.00 -999 ? >PHE^F 31 -16.92 0.07 27.32 -17.75 -2.60 27.07 -17.34 -1.26 27.20 3 0 1000.00 -999 ? >HIS^F 32 -17.56 7.16 25.55 -17.27 7.41 23.49 -17.42 7.29 24.52 3 0 1000.00 -999 ? >LEU^F 33 -15.29 6.04 32.26 -15.03 3.85 32.14 -15.16 4.95 32.20 3 0 1000.00 -999 ? >VAL^F 34 -17.07 10.48 32.12 -18.21 11.18 30.34 -17.64 10.83 31.23 3 0 1000.00 -999 ? >LYS^F 35 -18.05 12.39 35.20 -14.49 10.71 40.03 -16.27 11.55 37.61 2 0 1000.00 -999 ? >LEU^F 36 -22.22 14.50 34.03 -22.42 12.99 32.47 -22.32 13.74 33.25 3 0 1000.00 -999 ? >LEU^F 37 -20.74 18.37 37.88 -21.19 19.36 39.78 -20.96 18.87 38.83 3 0 1000.00 -999 ? >GLY^F 38 -24.03 20.76 35.67 -23.88 19.95 35.42 -23.95 20.35 35.55 1 0 1000.00 -999 ? >ASP^F 39 -25.92 20.59 31.54 -26.67 22.61 31.72 -26.30 21.60 31.63 2 0 1000.00 -999 ? >TYR.F 40 -20.18 21.14 29.23 -18.00 22.40 30.53 -19.09 21.77 29.88 3 0 1000.00 -999 ? >GLY.F 41 -25.26 21.41 25.73 -25.34 20.79 26.17 -25.30 21.10 25.95 1 0 1000.00 -999 ? >TRP.F 42 -29.15 21.72 23.91 -32.30 19.80 25.24 -30.73 20.76 24.58 3 0 1000.00 -999 ? >HIS.F 43 -23.87 16.06 23.24 -22.88 17.15 24.73 -23.38 16.61 23.99 3 0 1000.00 -999 ? >THR.F 44 -27.00 13.68 19.02 -27.12 13.96 16.91 -27.06 13.82 17.96 2 0 1000.00 -999 ? >HIS.F 45 -25.98 9.21 20.70 -26.36 9.25 22.76 -26.17 9.23 21.73 3 0 1000.00 -999 ? >GLY.F 46 -24.98 9.33 14.80 -24.85 8.70 15.37 -24.92 9.02 15.09 1 0 1000.00 -999 ? >TYR.F 47 -22.08 4.04 14.29 -21.53 1.42 13.38 -21.81 2.73 13.84 3 0 1000.00 -999 ? >SER.F 48 -25.61 3.59 17.41 -24.32 2.32 19.05 -24.96 2.96 18.23 2 0 1000.00 -999 ? >ASP.F 49 -29.05 3.06 20.94 -30.76 3.13 19.59 -29.90 3.10 20.26 2 0 1000.00 -999 ? >LYS^F 50 -25.98 4.46 23.77 -21.60 8.62 22.18 -23.79 6.54 22.97 2 0 1000.00 -999 ? >VAL^F 51 -26.53 2.68 26.98 -26.56 0.62 27.64 -26.54 1.65 27.31 3 0 1000.00 -999 ? >LEU^F 52 -26.81 6.34 29.98 -26.33 7.45 28.03 -26.57 6.90 29.01 3 0 1000.00 -999 ? >PHE^F 53 -24.34 1.43 34.67 -24.04 0.26 37.31 -24.19 0.85 35.99 3 0 1000.00 -999 ? >ALA^F 54 -24.81 5.58 36.28 -25.97 6.50 36.64 -25.39 6.04 36.46 2 0 1000.00 -999 ? >VAL^F 55 -22.25 4.12 38.49 -20.48 3.06 38.01 -21.36 3.59 38.25 3 0 1000.00 -999 ? >GLU^F 56 -20.78 7.51 43.27 -18.73 7.82 43.78 -19.75 7.67 43.52 2 0 1000.00 -999 ? >GLY^F 57 -24.68 9.66 41.79 -24.80 9.00 41.35 -24.74 9.33 41.57 1 0 1000.00 -999 ? >ASP.F 58 -28.71 11.26 40.60 -29.47 9.85 41.97 -29.09 10.55 41.29 2 0 1000.00 -999 ? >MET?F 59 -28.27 12.31 36.39 -26.18 10.30 33.41 -27.23 11.30 34.90 2 0 1000.00 -999 ? >ALA.F 60 -30.95 13.17 33.92 -31.91 14.19 34.47 -31.43 13.68 34.20 2 0 1000.00 -999 ? >VAL.F 61 -31.38 13.56 30.16 -30.55 12.13 28.83 -30.97 12.85 29.50 3 0 1000.00 -999 ? >ASP.F 62 -33.19 17.71 28.86 -33.45 18.20 30.97 -33.32 17.96 29.91 2 0 1000.00 -999 ? >PHE.F 63 -35.55 13.48 25.35 -34.47 11.09 26.35 -35.01 12.28 25.85 3 0 1000.00 -999 ? >ALA.F 64 -35.76 18.76 22.78 -35.19 18.76 21.31 -35.48 18.76 22.05 2 0 1000.00 -999 ? >ASP.F 65 -40.26 16.93 22.50 -39.85 14.99 23.42 -40.06 15.96 22.96 2 0 1000.00 -999 ? >GLY.F 66 -39.44 18.70 26.97 -39.24 17.98 26.79 -39.34 18.34 26.88 1 0 1000.00 -999 ? >GLY.F 67 -39.41 15.19 28.45 -38.80 15.71 28.31 -39.11 15.45 28.38 1 0 1000.00 -999 ? >SER^F 68 -36.70 14.40 30.97 -35.14 15.67 32.22 -35.92 15.04 31.60 2 0 1000.00 -999 ? >MET?F 69 -35.39 11.02 31.80 -34.21 7.70 29.52 -34.80 9.36 30.66 2 0 1000.00 -999 ? >THR^F 70 -33.88 10.67 35.29 -34.45 11.42 37.29 -34.17 11.05 36.29 2 0 1000.00 -999 ? >ILE^F 71 -30.23 7.77 34.78 -29.94 7.01 33.46 -30.08 7.39 34.12 3 0 1000.00 -999 ? >ARG.F 72 -33.55 7.55 41.59 -35.12 5.96 43.70 -34.34 6.75 42.65 2 0 1000.00 -999 ? >GLU.F 73 -25.44 4.93 42.49 -24.74 5.58 44.35 -25.09 5.25 43.42 2 0 1000.00 -999 ? >GLY.F 74 -27.35 1.92 39.81 -27.72 2.48 39.33 -27.54 2.20 39.57 1 0 1000.00 -999 ? >GLU^F 75 -31.87 3.14 38.28 -33.46 4.58 38.40 -32.66 3.86 38.34 2 0 1000.00 -999 ? >MET?F 76 -29.30 1.91 33.24 -27.28 -1.56 32.27 -28.29 0.18 32.76 2 0 1000.00 -999 ? >ALA^F 77 -31.01 3.50 30.29 -31.75 4.73 30.77 -31.38 4.12 30.53 2 0 1000.00 -999 ? >VAL^F 78 -30.76 3.93 26.51 -30.81 2.26 25.16 -30.78 3.10 25.84 3 0 1000.00 -999 ? >VAL^F 79 -30.63 7.18 24.63 -29.97 9.18 25.04 -30.30 8.18 24.84 3 0 1000.00 -999 ? >PRO.F 80 -33.73 6.93 21.54 -31.51 6.66 21.68 -32.62 6.80 21.61 3 0 1000.00 -999 ? >LYS.F 81 -29.31 7.56 18.02 -30.24 3.14 14.65 -29.77 5.35 16.34 2 0 1000.00 -999 ? >SER.F 82 -30.34 10.86 16.30 -30.37 9.24 14.38 -30.35 10.05 15.34 2 0 1000.00 -999 ? >VAL.F 83 -32.38 12.35 19.05 -33.21 10.68 20.23 -32.79 11.52 19.64 3 0 1000.00 -999 ? >SER.F 84 -31.00 15.51 20.40 -30.52 17.83 20.39 -30.76 16.67 20.39 2 0 1000.00 -999 ? >HIS^F 85 -29.22 13.18 24.29 -27.38 12.29 23.83 -28.30 12.74 24.06 3 0 1000.00 -999 ? >ARG^F 86 -29.15 20.81 28.99 -31.41 22.72 28.21 -30.28 21.76 28.60 2 0 1000.00 -999 ? >PRO^F 87 -25.54 14.86 27.97 -27.55 15.32 29.03 -26.55 15.09 28.50 3 0 1000.00 -999 ? >ARG^F 88 -30.52 18.59 33.14 -33.29 17.73 34.44 -31.90 18.16 33.79 2 0 1000.00 -999 ? >SER^F 89 -26.45 16.23 36.58 -24.78 15.11 37.98 -25.62 15.67 37.28 2 0 1000.00 -999 ? >GLU^F 90 -29.55 19.17 41.09 -30.90 20.48 40.05 -30.23 19.82 40.57 2 0 1000.00 -999 ? >ASN^F 91 -25.49 16.23 43.08 -26.38 17.47 44.46 -25.94 16.85 43.77 2 0 1000.00 -999 ? >GLY^F 92 -22.32 15.05 40.08 -23.06 14.70 40.18 -22.69 14.87 40.13 1 0 1000.00 -999 ? >CYH^F 93 -22.57 11.63 38.45 -24.18 9.85 36.82 -23.37 10.74 37.64 2 0 1000.00 -999 ? >SER^F 94 -20.02 9.07 37.25 -18.55 8.91 39.17 -19.29 8.99 38.21 2 0 1000.00 -999 ? >LEU^F 95 -21.90 8.59 33.18 -23.21 8.36 31.50 -22.55 8.47 32.34 3 0 1000.00 -999 ? >VAL^F 96 -20.44 4.72 31.81 -19.60 2.84 32.31 -20.02 3.78 32.06 3 0 1000.00 -999 ? >LEU^F 97 -21.28 6.22 27.48 -22.53 7.85 27.02 -21.91 7.04 27.25 3 0 1000.00 -999 ? >ILE^F 98 -22.20 0.74 26.77 -21.99 -0.53 27.56 -22.10 0.10 27.16 3 0 1000.00 -999 ? >GLU^F 99 -20.59 3.52 21.16 -20.18 5.55 20.75 -20.39 4.53 20.95 2 0 1000.00 -999 ? >LEU^F 100 -22.44 -0.73 18.33 -21.95 -2.94 18.17 -22.20 -1.83 18.25 3 0 1000.00 -999 ? >SER.F 101 -18.24 1.17 17.69 -16.76 -0.64 18.34 -17.50 0.27 18.02 2 0 1000.00 -999 ? >ASP.F 102 -18.06 1.67 12.84 -17.11 0.40 11.39 -17.59 1.04 12.11 2 0 1000.00 -999 ? >GLU.G 4 -35.07 55.94 48.17 -34.95 57.80 49.27 -35.01 56.87 48.72 2 0 1000.00 -999 ? >THR.G 5 -30.86 54.87 48.25 -29.89 56.11 49.67 -30.38 55.49 48.96 2 0 1000.00 -999 ? >ILE^G 6 -31.16 50.13 48.00 -31.38 49.15 47.06 -31.27 49.64 47.53 3 0 1000.00 -999 ? >ASN^G 7 -31.49 50.88 53.84 -30.46 50.51 55.65 -30.97 50.69 54.75 2 0 1000.00 -999 ? >LEU~G 8 -28.30 46.24 52.08 -27.39 46.52 50.02 -27.85 46.38 51.05 3 0 1000.00 -999 ? >LYS~G 9 -30.18 45.56 56.02 -26.76 46.25 60.60 -28.47 45.91 58.31 2 0 1000.00 -999 ? >GLN~G 10 -33.98 49.28 57.07 -34.69 51.33 56.90 -34.33 50.30 56.98 2 0 1000.00 -999 ? >HIS~G 11 -34.78 46.93 50.72 -35.55 48.61 49.75 -35.17 47.77 50.23 3 0 1000.00 -999 ? >LEU~G 12 -32.05 41.99 53.67 -30.84 41.39 51.89 -31.45 41.69 52.78 3 0 1000.00 -999 ? >ALA~G 13 -35.14 42.06 56.97 -34.95 43.04 58.12 -35.04 42.55 57.54 2 0 1000.00 -999 ? >ALA~G 14 -38.51 42.47 55.19 -38.93 43.74 54.46 -38.72 43.11 54.82 2 0 1000.00 -999 ? >ILE.G 15 -36.89 39.23 52.03 -36.47 39.28 50.60 -36.68 39.25 51.31 3 0 1000.00 -999 ? >LYS.G 16 -39.17 36.09 54.96 -39.14 34.27 58.19 -39.16 35.18 56.57 2 0 1000.00 -999 ? >GLU.G 17 -41.53 34.55 51.27 -42.61 33.35 52.62 -42.07 33.95 51.94 2 0 1000.00 -999 ? >TYR.G 18 -35.11 30.93 52.35 -33.79 31.35 54.70 -34.45 31.14 53.52 3 0 1000.00 -999 ? >TRP.G 19 -34.47 29.01 48.33 -31.15 28.71 46.28 -32.81 28.86 47.31 3 0 1000.00 -999 ? >GLN.G 20 -39.58 33.81 48.07 -41.18 32.98 46.94 -40.38 33.40 47.51 2 0 1000.00 -999 ? >PRO.G 21 -35.91 36.38 42.90 -36.44 37.12 45.00 -36.17 36.75 43.95 3 0 1000.00 -999 ? >GLU^G 22 -37.52 43.59 46.33 -37.61 44.97 47.92 -37.57 44.28 47.12 2 0 1000.00 -999 ? >ILE^G 23 -36.71 42.50 40.85 -36.64 41.71 39.83 -36.68 42.11 40.34 3 0 1000.00 -999 ? >ILE^G 24 -34.83 47.38 43.23 -34.81 48.01 44.44 -34.82 47.70 43.83 3 0 1000.00 -999 ? >ASN^G 25 -35.34 48.40 37.42 -35.83 46.35 36.95 -35.59 47.38 37.19 2 0 1000.00 -999 ? >ARG^G 26 -32.28 53.25 42.46 -34.96 52.47 43.86 -33.62 52.86 43.16 2 0 1000.00 -999 ? >HIS.G 27 -30.95 55.58 36.50 -31.65 57.34 37.41 -31.30 56.46 36.96 3 0 1000.00 -999 ? >GLY.G 28 -29.37 50.65 33.97 -29.46 50.63 34.75 -29.42 50.64 34.36 1 0 1000.00 -999 ? >PHE^G 29 -26.84 49.31 37.74 -24.33 50.12 36.91 -25.58 49.71 37.32 3 0 1000.00 -999 ? >GLN^G 30 -32.82 43.69 37.82 -33.31 42.28 36.22 -33.06 42.98 37.02 2 0 1000.00 -999 ? >PHE^G 31 -29.88 46.90 42.83 -28.05 48.96 42.48 -28.97 47.93 42.65 3 0 1000.00 -999 ? >HIS^G 32 -32.06 40.04 41.26 -32.88 39.54 39.39 -32.47 39.79 40.33 3 0 1000.00 -999 ? >LEU^G 33 -32.65 42.07 47.99 -32.51 44.17 47.42 -32.58 43.12 47.70 3 0 1000.00 -999 ? >VAL^G 34 -32.78 37.19 47.97 -32.44 36.09 46.20 -32.61 36.64 47.09 3 0 1000.00 -999 ? >LYS^G 35 -32.19 34.74 50.83 -34.31 37.77 55.90 -33.25 36.25 53.37 2 0 1000.00 -999 ? >LEU^G 36 -29.31 31.44 49.07 -29.22 32.53 47.18 -29.26 31.99 48.13 3 0 1000.00 -999 ? >LEU^G 37 -31.84 28.06 52.87 -31.59 27.06 54.87 -31.72 27.56 53.87 3 0 1000.00 -999 ? >GLY^G 38 -30.09 24.56 50.54 -29.96 25.36 50.23 -30.03 24.96 50.39 1 0 1000.00 -999 ? >ASP^G 39 -29.00 24.04 46.05 -29.58 22.05 45.77 -29.29 23.04 45.91 2 0 1000.00 -999 ? >TYR.G 40 -34.38 26.51 44.09 -37.11 26.89 44.51 -35.74 26.70 44.30 3 0 1000.00 -999 ? >GLY.G 41 -30.83 23.58 40.60 -30.52 24.26 40.92 -30.68 23.92 40.76 1 0 1000.00 -999 ? >TRP.G 42 -27.30 22.37 38.65 -23.46 23.04 38.14 -25.38 22.70 38.39 3 0 1000.00 -999 ? >HIS.G 43 -30.14 29.30 38.67 -31.15 28.61 40.39 -30.64 28.95 39.53 3 0 1000.00 -999 ? >THR.G 44 -27.94 29.85 33.16 -28.04 29.09 31.11 -27.99 29.47 32.13 2 0 1000.00 -999 ? >HIS.G 45 -29.83 33.88 35.32 -29.48 33.46 37.35 -29.65 33.67 36.34 3 0 1000.00 -999 ? >GLY.G 46 -26.86 35.29 30.73 -27.63 35.52 30.47 -27.25 35.40 30.60 1 0 1000.00 -999 ? >TYR.G 47 -29.86 40.52 29.24 -31.25 42.36 27.54 -30.56 41.44 28.39 3 0 1000.00 -999 ? >ASP.G 49 -20.93 39.58 34.29 -19.90 39.31 32.41 -20.42 39.45 33.35 2 0 1000.00 -999 ? >LYS^G 50 -23.73 39.48 37.80 -25.81 35.74 35.30 -24.77 37.61 36.55 2 0 1000.00 -999 ? >VAL^G 51 -21.99 40.63 40.98 -21.03 42.64 41.32 -21.51 41.63 41.15 3 0 1000.00 -999 ? >LEU^G 52 -22.69 37.41 44.15 -24.01 36.07 43.11 -23.35 36.74 43.63 3 0 1000.00 -999 ? >PHE^G 53 -22.06 42.92 47.21 -20.52 44.84 45.74 -21.29 43.88 46.47 3 0 1000.00 -999 ? >ALA^G 54 -23.09 38.06 50.46 -22.17 36.87 50.86 -22.63 37.47 50.66 2 0 1000.00 -999 ? >VAL^G 55 -24.50 40.48 52.88 -25.78 42.17 52.51 -25.14 41.32 52.70 3 0 1000.00 -999 ? >GLU^G 56 -26.58 37.68 57.79 -28.47 38.35 58.60 -27.52 38.01 58.19 2 0 1000.00 -999 ? >GLY.G 57 -23.55 34.39 56.08 -23.42 34.95 55.49 -23.48 34.67 55.78 1 0 1000.00 -999 ? >ASP.G 58 -20.87 31.39 54.03 -19.73 32.32 55.53 -20.30 31.86 54.78 2 0 1000.00 -999 ? >MET?G 59 -22.67 30.62 50.11 -24.46 33.67 47.64 -23.57 32.14 48.87 2 0 1000.00 -999 ? >ALA.G 60 -21.01 29.01 47.20 -20.43 27.67 47.56 -20.72 28.34 47.38 2 0 1000.00 -999 ? >VAL.G 61 -21.47 28.65 43.46 -22.11 30.35 42.24 -21.79 29.50 42.85 3 0 1000.00 -999 ? >ASP.G 62 -21.43 24.13 41.92 -21.52 23.66 44.00 -21.48 23.90 42.96 2 0 1000.00 -999 ? >PHE.G 63 -18.69 27.60 37.78 -18.67 30.23 38.84 -18.68 28.91 38.31 3 0 1000.00 -999 ? >ALA.G 64 -20.08 22.61 35.27 -20.65 22.90 33.90 -20.36 22.75 34.59 2 0 1000.00 -999 ? >ASP.G 65 -15.40 23.04 34.66 -14.66 24.60 36.03 -15.03 23.82 35.34 2 0 1000.00 -999 ? >GLY.G 66 -16.39 21.21 38.99 -16.24 21.90 38.67 -16.31 21.56 38.83 1 0 1000.00 -999 ? >GLY.G 67 -15.05 24.68 39.90 -15.73 24.29 40.09 -15.39 24.49 39.99 1 0 1000.00 -999 ? >SER^G 68 -16.36 26.36 43.11 -17.61 24.67 44.21 -16.99 25.51 43.66 2 0 1000.00 -999 ? >MET?G 69 -16.44 29.90 44.34 -17.03 33.12 41.71 -16.74 31.51 43.03 2 0 1000.00 -999 ? >THR^G 70 -16.97 30.44 47.98 -16.21 29.37 49.67 -16.59 29.91 48.82 2 0 1000.00 -999 ? >ILE^G 71 -19.83 34.23 48.07 -20.22 35.17 46.84 -20.02 34.70 47.45 3 0 1000.00 -999 ? >ARG.G 72 -15.90 32.12 53.78 -14.79 31.79 56.74 -15.34 31.95 55.26 2 0 1000.00 -999 ? >GLU.G 73 -21.18 38.42 56.61 -21.88 38.20 58.57 -21.53 38.31 57.59 2 0 1000.00 -999 ? >GLY.G 74 -18.76 40.54 53.48 -18.83 39.88 52.93 -18.79 40.21 53.20 1 0 1000.00 -999 ? >GLU^G 75 -15.88 37.58 51.19 -14.38 36.10 50.81 -15.13 36.84 51.00 2 0 1000.00 -999 ? >MET?G 76 -18.08 39.91 46.52 -18.06 44.06 44.96 -18.07 41.98 45.74 2 0 1000.00 -999 ? >ALA^G 77 -17.75 37.75 43.49 -17.78 36.37 43.95 -17.77 37.06 43.72 2 0 1000.00 -999 ? >VAL^G 78 -19.06 37.83 40.00 -17.86 39.11 38.60 -18.46 38.47 39.30 3 0 1000.00 -999 ? >VAL^G 79 -20.69 35.18 37.87 -21.91 33.65 38.65 -21.30 34.41 38.26 3 0 1000.00 -999 ? >PRO.G 80 -18.36 33.52 34.61 -19.87 35.19 34.90 -19.11 34.36 34.76 3 0 1000.00 -999 ? >LYS.G 81 -22.89 35.65 31.91 -21.57 37.90 26.80 -22.23 36.77 29.35 2 0 1000.00 -999 ? >SER.G 82 -23.75 32.66 29.65 -24.24 33.69 27.53 -23.99 33.17 28.59 2 0 1000.00 -999 ? >VAL.G 83 -22.44 30.08 32.12 -20.34 30.03 32.81 -21.39 30.06 32.46 3 0 1000.00 -999 ? >SER.G 84 -24.56 27.42 33.73 -25.33 25.20 33.99 -24.94 26.31 33.86 2 0 1000.00 -999 ? >HIS^G 85 -24.27 29.84 37.91 -25.54 31.51 37.74 -24.90 30.67 37.83 3 0 1000.00 -999 ? >ARG^G 86 -26.61 23.35 42.84 -25.45 20.67 43.65 -26.03 22.01 43.24 2 0 1000.00 -999 ? >PRO^G 87 -27.63 29.78 42.47 -25.89 28.45 43.11 -26.76 29.12 42.79 3 0 1000.00 -999 ? >ARG^G 88 -23.99 24.22 47.18 -20.97 24.09 47.80 -22.48 24.16 47.49 2 0 1000.00 -999 ? >SER^G 89 -25.96 27.79 51.00 -26.07 29.69 52.57 -26.02 28.74 51.78 2 0 1000.00 -999 ? >GLU^G 90 -23.98 23.55 55.01 -24.30 21.83 53.76 -24.14 22.69 54.39 2 0 1000.00 -999 ? >ASN^G 91 -25.81 27.83 57.56 -25.17 25.98 58.32 -25.49 26.91 57.94 2 0 1000.00 -999 ? >GLY^G 92 -28.48 30.52 54.69 -27.65 30.56 54.70 -28.06 30.54 54.70 1 0 1000.00 -999 ? >CYH^G 93 -27.17 33.68 52.96 -25.16 34.65 51.09 -26.17 34.17 52.03 2 0 1000.00 -999 ? >SER^G 94 -28.68 37.13 52.35 -29.59 37.65 54.57 -29.14 37.39 53.46 2 0 1000.00 -999 ? >LEU^G 95 -27.54 36.93 47.84 -26.59 36.67 45.97 -27.07 36.80 46.91 3 0 1000.00 -999 ? >VAL^G 96 -27.55 41.22 46.81 -27.70 43.28 47.40 -27.63 42.25 47.11 3 0 1000.00 -999 ? >LEU^G 97 -28.02 39.61 42.53 -27.70 37.86 41.35 -27.86 38.73 41.94 3 0 1000.00 -999 ? >ILE^G 98 -25.50 44.50 40.91 -25.11 45.77 41.48 -25.30 45.14 41.19 3 0 1000.00 -999 ? >GLU^G 99 -29.18 41.67 36.78 -30.13 39.81 36.31 -29.65 40.74 36.54 2 0 1000.00 -999 ? >LEU^G 100 -27.19 44.97 32.46 -25.41 46.09 31.99 -26.30 45.53 32.22 3 0 1000.00 -999 ? >GLU.H 4 -9.79 34.95 43.53 -10.26 33.14 44.57 -10.02 34.05 44.05 2 0 1000.00 -999 ? >THR.H 5 -13.81 36.32 44.86 -14.57 34.92 46.39 -14.19 35.62 45.63 2 0 1000.00 -999 ? >ILE^H 6 -13.40 40.94 45.64 -12.66 41.82 44.64 -13.03 41.38 45.14 3 0 1000.00 -999 ? >ASN^H 7 -11.80 39.24 51.14 -12.06 39.72 53.22 -11.93 39.48 52.18 2 0 1000.00 -999 ? >LEU~H 8 -15.24 44.10 50.69 -16.39 44.56 48.82 -15.82 44.33 49.75 3 0 1000.00 -999 ? >LYS~H 9 -12.56 44.10 54.31 -12.97 43.02 60.47 -12.76 43.56 57.39 2 0 1000.00 -999 ? >GLN~H 10 -8.67 41.29 52.72 -7.87 39.33 52.99 -8.27 40.31 52.85 2 0 1000.00 -999 ? >HIS~H 11 -9.24 43.81 48.20 -8.68 42.42 46.74 -8.96 43.11 47.47 3 0 1000.00 -999 ? >LEU~H 12 -11.27 48.82 51.78 -13.32 48.65 52.17 -12.29 48.73 51.98 3 0 1000.00 -999 ? >ALA~H 13 -7.86 47.81 55.16 -7.74 46.54 56.03 -7.80 47.18 55.60 2 0 1000.00 -999 ? >ALA.H 14 -4.95 47.87 52.68 -4.68 46.84 51.62 -4.82 47.35 52.15 2 0 1000.00 -999 ? >ILE.H 15 -7.29 51.80 50.68 -7.88 51.86 49.16 -7.58 51.83 49.92 3 0 1000.00 -999 ? >LYS.H 16 -4.20 53.87 53.69 -3.59 49.38 57.04 -3.90 51.62 55.37 2 0 1000.00 -999 ? >GLU.H 17 -2.72 58.14 52.00 -0.94 57.89 50.99 -1.83 58.01 51.49 2 0 1000.00 -999 ? >TYR.H 18 -8.94 59.79 52.91 -9.63 59.02 55.47 -9.28 59.41 54.19 3 0 1000.00 -999 ? >TRP.H 19 -10.03 62.44 49.09 -13.62 62.48 47.56 -11.82 62.46 48.33 3 0 1000.00 -999 ? >GLN.H 20 -4.96 58.28 46.90 -2.89 58.36 46.76 -3.93 58.32 46.83 2 0 1000.00 -999 ? >PRO.H 21 -9.12 55.59 42.43 -8.43 54.77 44.42 -8.77 55.18 43.42 3 0 1000.00 -999 ? >GLU^H 22 -6.81 48.66 45.34 -7.32 46.71 46.07 -7.07 47.68 45.71 2 0 1000.00 -999 ? >ILE^H 23 -8.74 50.07 39.23 -8.71 50.98 38.53 -8.73 50.53 38.88 3 0 1000.00 -999 ? >ILE^H 24 -10.86 44.94 41.19 -10.83 44.03 42.28 -10.84 44.49 41.73 3 0 1000.00 -999 ? >ASN^H 25 -10.83 44.24 35.65 -11.62 45.93 34.74 -11.23 45.08 35.19 2 0 1000.00 -999 ? >ARG^H 26 -12.50 39.26 39.48 -10.42 39.46 41.73 -11.46 39.36 40.61 2 0 1000.00 -999 ? >HIS.H 27 -15.89 37.75 33.90 -15.09 35.87 34.32 -15.49 36.81 34.11 3 0 1000.00 -999 ? >GLY.H 28 -17.46 42.99 32.48 -17.19 42.89 33.22 -17.32 42.94 32.85 1 0 1000.00 -999 ? >PHE^H 29 -19.08 43.55 37.22 -21.78 42.75 37.31 -20.43 43.15 37.26 3 0 1000.00 -999 ? >GLN^H 30 -13.23 48.82 36.17 -12.80 50.51 34.90 -13.01 49.67 35.53 2 0 1000.00 -999 ? >PHE^H 31 -15.92 45.93 41.30 -17.35 43.68 40.58 -16.63 44.80 40.94 3 0 1000.00 -999 ? >HIS^H 32 -13.37 52.59 40.36 -12.93 52.77 38.32 -13.15 52.68 39.34 3 0 1000.00 -999 ? >LEU^H 33 -11.99 49.60 46.76 -12.28 47.51 46.32 -12.14 48.56 46.54 3 0 1000.00 -999 ? >VAL^H 34 -11.67 54.29 47.49 -12.18 55.74 45.96 -11.92 55.02 46.72 3 0 1000.00 -999 ? >LYS^H 35 -11.87 56.06 50.74 -9.28 52.13 54.88 -10.57 54.09 52.81 2 0 1000.00 -999 ? >LEU^H 36 -14.90 59.58 50.44 -15.47 59.02 48.42 -15.18 59.30 49.43 3 0 1000.00 -999 ? >LEU^H 37 -11.76 62.22 54.38 -11.83 62.63 56.54 -11.80 62.43 55.46 3 0 1000.00 -999 ? >GLY^H 38 -14.15 65.91 52.81 -14.35 65.15 52.42 -14.25 65.53 52.62 1 0 1000.00 -999 ? >ASP^H 39 -16.07 67.12 48.66 -15.87 69.19 48.96 -15.97 68.15 48.81 2 0 1000.00 -999 ? >TYR.H 40 -10.48 65.52 45.37 -7.75 64.86 46.06 -9.11 65.19 45.71 3 0 1000.00 -999 ? >GLY.H 41 -15.47 68.80 43.91 -15.52 68.00 43.96 -15.50 68.40 43.94 1 0 1000.00 -999 ? >TRP.H 42 -18.60 70.85 42.22 -22.37 69.93 42.52 -20.48 70.39 42.37 3 0 1000.00 -999 ? >HIS.H 43 -15.76 63.27 37.89 -14.73 62.43 36.26 -15.25 62.85 37.08 3 0 1000.00 -999 ? >THR.H 44 -19.35 63.33 35.77 -20.57 64.57 34.60 -19.96 63.95 35.18 2 0 1000.00 -999 ? >HIS.H 45 -18.73 58.55 36.49 -17.74 58.47 38.34 -18.24 58.51 37.41 3 0 1000.00 -999 ? >GLY.H 46 -19.69 60.69 30.75 -19.72 59.86 31.02 -19.71 60.28 30.88 1 0 1000.00 -999 ? >TYR.H 47 -18.36 58.10 28.02 -17.16 60.33 26.74 -17.76 59.21 27.38 3 0 1000.00 -999 ? >SER.H 48 -21.67 54.80 32.29 -19.56 53.65 32.97 -20.62 54.23 32.63 2 0 1000.00 -999 ? >ASP.H 49 -25.44 53.72 35.12 -26.60 54.43 33.53 -26.02 54.07 34.32 2 0 1000.00 -999 ? >LYS^H 50 -22.39 53.51 38.32 -17.78 54.68 35.94 -20.08 54.10 37.13 2 0 1000.00 -999 ? >VAL^H 51 -23.32 52.02 41.69 -24.39 50.19 41.85 -23.85 51.11 41.77 3 0 1000.00 -999 ? >LEU^H 52 -22.20 54.90 45.34 -21.43 56.63 44.04 -21.81 55.77 44.69 3 0 1000.00 -999 ? >PHE^H 53 -21.88 48.59 48.82 -22.30 46.79 50.97 -22.09 47.69 49.90 3 0 1000.00 -999 ? >ALA^H 54 -21.07 52.62 51.17 -21.92 53.79 51.70 -21.50 53.21 51.44 2 0 1000.00 -999 ? >VAL.H 55 -19.24 49.81 52.89 -17.89 48.26 52.27 -18.56 49.04 52.58 3 0 1000.00 -999 ? >GLU.H 56 -16.26 51.74 57.66 -14.48 50.80 58.15 -15.37 51.27 57.90 2 0 1000.00 -999 ? >GLY.H 57 -18.97 55.14 57.02 -19.30 54.86 56.25 -19.13 55.00 56.64 1 0 1000.00 -999 ? >ASP.H 58 -22.50 58.43 56.60 -23.44 57.23 58.02 -22.97 57.83 57.31 2 0 1000.00 -999 ? >MET?H 59 -21.22 59.72 52.72 -20.16 57.57 49.21 -20.69 58.65 50.96 2 0 1000.00 -999 ? >ALA.H 60 -23.40 62.01 50.56 -23.84 63.17 51.35 -23.62 62.59 50.96 2 0 1000.00 -999 ? >VAL.H 61 -23.77 63.25 46.89 -23.41 61.79 45.30 -23.59 62.52 46.10 3 0 1000.00 -999 ? >ASP.H 62 -23.76 67.96 46.03 -23.57 68.31 48.10 -23.67 68.13 47.06 2 0 1000.00 -999 ? >PHE.H 63 -27.44 64.89 42.58 -27.25 62.22 43.24 -27.35 63.55 42.91 3 0 1000.00 -999 ? >ALA.H 64 -26.31 69.92 39.82 -26.08 69.73 38.37 -26.19 69.82 39.10 2 0 1000.00 -999 ? >ASP.H 65 -31.15 69.64 40.34 -31.05 67.74 41.36 -31.10 68.69 40.85 2 0 1000.00 -999 ? >GLY.H 66 -29.02 71.33 44.28 -29.28 70.55 44.07 -29.15 70.94 44.18 1 0 1000.00 -999 ? >GLY.H 67 -30.36 68.02 45.50 -29.57 68.30 45.45 -29.96 68.16 45.47 1 0 1000.00 -999 ? >SER^H 68 -28.36 66.29 48.15 -26.63 66.71 49.80 -27.50 66.50 48.98 2 0 1000.00 -999 ? >MET?H 69 -28.51 62.48 48.61 -28.53 59.20 45.81 -28.52 60.84 47.21 2 0 1000.00 -999 ? >THR^H 70 -27.31 60.56 51.62 -27.43 61.16 53.68 -27.37 60.86 52.65 2 0 1000.00 -999 ? >ILE^H 71 -24.79 56.68 50.32 -24.58 56.22 49.01 -24.68 56.45 49.66 3 0 1000.00 -999 ? >ARG.H 72 -27.56 57.20 57.74 -29.02 59.92 57.42 -28.29 58.56 57.58 2 0 1000.00 -999 ? >GLU.H 73 -21.69 51.17 57.06 -20.88 50.89 59.01 -21.28 51.03 58.04 2 0 1000.00 -999 ? >GLY.H 74 -24.64 49.51 54.08 -24.80 50.27 53.90 -24.72 49.89 53.99 1 0 1000.00 -999 ? >GLU^H 75 -28.14 52.84 53.06 -28.94 54.75 53.62 -28.54 53.79 53.34 2 0 1000.00 -999 ? >MET?H 76 -26.49 51.49 47.79 -25.85 47.40 46.44 -26.17 49.45 47.11 2 0 1000.00 -999 ? >ALA^H 77 -27.26 53.90 45.04 -27.43 55.30 45.64 -27.35 54.60 45.34 2 0 1000.00 -999 ? >VAL^H 78 -26.87 54.67 41.45 -27.70 53.34 40.02 -27.28 54.01 40.73 3 0 1000.00 -999 ? >VAL^H 79 -25.60 57.80 39.70 -24.34 59.31 40.67 -24.97 58.55 40.18 3 0 1000.00 -999 ? >PRO.H 80 -28.63 58.71 36.69 -26.45 57.94 36.72 -27.54 58.33 36.70 3 0 1000.00 -999 ? >LYS.H 81 -23.95 58.66 33.32 -26.51 57.24 28.75 -25.23 57.95 31.03 2 0 1000.00 -999 ? >SER.H 82 -23.76 62.48 32.63 -24.13 61.61 30.52 -23.94 62.04 31.58 2 0 1000.00 -999 ? >VAL.H 83 -24.96 63.67 36.01 -26.71 63.00 37.07 -25.83 63.34 36.54 3 0 1000.00 -999 ? >SER.H 84 -22.68 66.13 37.58 -21.45 68.29 37.63 -22.07 67.21 37.60 2 0 1000.00 -999 ? >HIS^H 85 -21.77 62.78 40.88 -20.47 61.34 40.10 -21.12 62.06 40.49 3 0 1000.00 -999 ? >ARG^H 86 -18.80 69.16 46.01 -20.42 71.74 46.43 -19.61 70.45 46.22 2 0 1000.00 -999 ? >PRO^H 87 -17.87 62.31 44.89 -19.54 63.34 45.93 -18.70 62.83 45.41 3 0 1000.00 -999 ? >ARG^H 88 -20.55 66.87 50.78 -23.61 67.09 50.67 -22.08 66.98 50.72 2 0 1000.00 -999 ? >SER^H 89 -17.90 62.42 53.56 -17.56 60.28 54.73 -17.73 61.35 54.15 2 0 1000.00 -999 ? >GLU^H 90 -18.78 66.32 58.21 -19.55 66.36 60.22 -19.17 66.34 59.22 2 0 1000.00 -999 ? >ASN^H 91 -17.17 61.04 60.05 -18.22 62.64 60.90 -17.69 61.84 60.47 2 0 1000.00 -999 ? >GLY^H 92 -14.84 59.08 56.34 -15.66 59.07 56.37 -15.25 59.07 56.36 1 0 1000.00 -999 ? >CYH^H 93 -16.20 56.48 53.95 -18.47 55.82 52.67 -17.34 56.15 53.31 2 0 1000.00 -999 ? >SER^H 94 -15.11 53.27 52.35 -13.69 52.46 54.08 -14.40 52.86 53.21 2 0 1000.00 -999 ? >LEU^H 95 -16.95 54.42 48.44 -18.08 55.34 46.81 -17.52 54.88 47.63 3 0 1000.00 -999 ? >VAL^H 96 -17.09 50.43 46.29 -17.09 48.35 46.57 -17.09 49.39 46.43 3 0 1000.00 -999 ? >LEU^H 97 -17.13 53.02 42.31 -17.95 54.97 42.15 -17.54 54.00 42.23 3 0 1000.00 -999 ? >ILE^H 98 -20.31 48.51 41.07 -20.74 47.50 41.75 -20.53 48.00 41.41 3 0 1000.00 -999 ? >GLU^H 99 -18.72 50.94 34.76 -17.07 52.07 34.24 -17.89 51.51 34.50 2 0 1000.00 -999 ? >LEU^H 100 -21.54 46.33 34.67 -21.97 44.22 34.00 -21.76 45.27 34.34 3 0 1000.00 -999 ? >GLU.I 4 13.72 51.65 14.25 13.30 51.92 12.20 13.51 51.78 13.23 2 0 1000.00 -999 ? >THR.I 5 9.48 51.67 18.55 10.23 50.50 20.14 9.85 51.08 19.35 2 0 1000.00 -999 ? >ILE^I 6 5.87 54.69 19.12 5.17 55.43 18.17 5.52 55.06 18.65 3 0 1000.00 -999 ? >ASN^I 7 7.75 55.34 24.53 7.09 54.92 26.46 7.42 55.13 25.49 2 0 1000.00 -999 ? >LEU~I 8 1.98 55.05 23.91 1.19 53.62 22.35 1.58 54.34 23.13 3 0 1000.00 -999 ? >LYS~I 9 3.57 57.57 27.30 5.22 56.37 31.90 4.39 56.97 29.60 2 0 1000.00 -999 ? >GLN~I 10 8.64 59.44 25.34 10.30 58.04 25.51 9.47 58.74 25.42 2 0 1000.00 -999 ? >HIS~I 11 5.92 59.82 21.05 7.57 59.47 19.80 6.74 59.65 20.42 3 0 1000.00 -999 ? >LEU~I 12 0.63 60.71 25.26 -0.69 59.85 23.62 -0.03 60.28 24.44 3 0 1000.00 -999 ? >ALA~I 13 3.01 63.81 27.73 3.90 63.33 28.91 3.46 63.57 28.32 2 0 1000.00 -999 ? >ALA~I 14 4.89 65.99 25.15 5.98 65.48 24.21 5.43 65.73 24.68 2 0 1000.00 -999 ? >ILE.I 15 0.68 66.18 23.01 0.33 65.56 21.84 0.50 65.87 22.42 3 0 1000.00 -999 ? >LYS.I 16 0.14 70.06 25.81 4.53 69.25 29.10 2.33 69.66 27.46 2 0 1000.00 -999 ? >GLU.I 17 -1.13 72.73 22.34 -1.83 74.37 23.45 -1.48 73.55 22.90 2 0 1000.00 -999 ? >TYR.I 18 -6.88 68.83 24.83 -6.65 67.92 27.41 -6.76 68.38 26.12 3 0 1000.00 -999 ? >TRP.I 19 -9.86 69.49 21.20 -12.24 66.80 19.58 -11.05 68.15 20.39 3 0 1000.00 -999 ? >GLN.I 20 -2.81 71.67 18.33 -1.02 72.61 19.13 -1.92 72.14 18.73 2 0 1000.00 -999 ? >PRO.I 21 -3.67 66.32 14.48 -2.75 66.64 16.50 -3.21 66.48 15.49 3 0 1000.00 -999 ? >GLU^I 22 2.03 65.56 18.21 3.43 67.12 17.90 2.73 66.34 18.05 2 0 1000.00 -999 ? >ILE^I 23 1.60 62.77 11.74 0.90 63.11 10.66 1.25 62.94 11.20 3 0 1000.00 -999 ? >ILE^I 24 4.76 58.53 14.42 5.75 59.14 15.21 5.25 58.84 14.82 3 0 1000.00 -999 ? >ASN^I 25 5.53 57.92 8.70 3.85 58.82 7.80 4.69 58.37 8.25 2 0 1000.00 -999 ? >ARG^I 26 8.16 53.84 13.70 9.07 56.71 14.43 8.61 55.28 14.07 2 0 1000.00 -999 ? >HIS.I 27 8.47 50.21 7.93 10.28 49.67 8.84 9.38 49.94 8.39 3 0 1000.00 -999 ? >GLY.I 28 3.34 51.36 5.84 3.47 51.49 6.61 3.40 51.43 6.22 1 0 1000.00 -999 ? >PHE^I 29 0.98 50.54 9.98 -0.19 47.98 9.71 0.40 49.26 9.84 3 0 1000.00 -999 ? >GLN^I 30 -0.14 58.49 9.48 -0.09 59.68 7.67 -0.11 59.09 8.57 2 0 1000.00 -999 ? >PHE^I 31 1.24 54.97 14.54 2.02 52.28 14.05 1.63 53.62 14.29 3 0 1000.00 -999 ? >HIS^I 32 -3.15 60.56 12.92 -3.18 60.67 10.82 -3.17 60.62 11.87 3 0 1000.00 -999 ? >LEU^I 33 -0.27 60.69 19.47 1.49 59.44 18.91 0.61 60.06 19.19 3 0 1000.00 -999 ? >VAL^I 34 -4.12 63.71 19.89 -5.45 64.15 18.21 -4.79 63.93 19.05 3 0 1000.00 -999 ? >LYS^I 35 -5.70 64.77 23.12 -0.94 65.39 27.25 -3.32 65.08 25.19 2 0 1000.00 -999 ? >LEU^I 36 -10.21 63.95 22.35 -10.03 63.35 20.19 -10.12 63.65 21.27 3 0 1000.00 -999 ? >LEU^I 37 -10.86 68.08 26.03 -11.24 68.72 28.15 -11.05 68.40 27.09 3 0 1000.00 -999 ? >GLY^I 38 -15.35 68.60 24.76 -14.84 68.03 24.35 -15.10 68.31 24.56 1 0 1000.00 -999 ? >ASP^I 39 -17.28 67.50 20.52 -18.80 68.98 20.41 -18.04 68.24 20.46 2 0 1000.00 -999 ? >TYR.I 40 -13.00 70.79 17.54 -11.26 72.55 19.00 -12.13 71.67 18.27 3 0 1000.00 -999 ? >GLY.I 41 -18.54 68.84 15.86 -17.86 68.38 15.86 -18.20 68.61 15.86 1 0 1000.00 -999 ? >TRP.I 42 -21.88 67.28 14.00 -23.08 63.62 14.57 -22.48 65.45 14.28 3 0 1000.00 -999 ? >HIS.I 43 -14.55 65.62 12.44 -14.09 66.57 14.26 -14.32 66.10 13.35 3 0 1000.00 -999 ? >THR.I 44 -16.31 63.09 7.61 -16.65 63.45 5.43 -16.48 63.27 6.52 2 0 1000.00 -999 ? >HIS.I 45 -11.55 60.74 4.51 -10.85 60.05 2.63 -11.20 60.40 3.57 3 0 1000.00 -999 ? >ASP.I 49 -11.23 51.58 8.52 -13.00 50.89 7.53 -12.11 51.23 8.03 2 0 1000.00 -999 ? >LYS^I 50 -9.01 54.01 11.36 -7.77 58.60 8.46 -8.39 56.30 9.91 2 0 1000.00 -999 ? >VAL^I 51 -8.05 52.11 14.49 -7.08 50.09 14.84 -7.57 51.10 14.66 3 0 1000.00 -999 ? >LEU^I 52 -10.01 54.91 17.86 -10.82 56.25 16.23 -10.42 55.58 17.04 3 0 1000.00 -999 ? >PHE^I 53 -5.20 51.97 22.05 -4.29 50.83 24.50 -4.75 51.40 23.28 3 0 1000.00 -999 ? >ALA^I 54 -7.93 55.19 24.03 -9.23 55.12 24.67 -8.58 55.15 24.35 2 0 1000.00 -999 ? >VAL.I 55 -4.66 55.35 25.85 -2.64 55.54 25.09 -3.65 55.44 25.47 3 0 1000.00 -999 ? >GLU.I 56 -4.60 58.63 30.75 -3.16 59.77 31.74 -3.88 59.20 31.24 2 0 1000.00 -999 ? >GLY.I 57 -9.05 58.40 29.52 -8.94 58.13 28.70 -9.00 58.27 29.11 1 0 1000.00 -999 ? >ASP.I 58 -13.70 57.47 29.17 -12.94 56.26 30.84 -13.32 56.86 30.00 2 0 1000.00 -999 ? >MET?I 59 -14.39 59.04 25.02 -11.55 58.81 21.76 -12.97 58.93 23.39 2 0 1000.00 -999 ? >ALA.I 60 -17.35 58.50 22.61 -18.67 58.87 23.14 -18.01 58.68 22.88 2 0 1000.00 -999 ? >VAL.I 61 -17.94 58.73 18.87 -16.43 58.15 17.35 -17.19 58.44 18.11 3 0 1000.00 -999 ? >ASP.I 62 -21.99 61.08 17.87 -22.08 61.49 19.96 -22.04 61.28 18.91 2 0 1000.00 -999 ? >PHE.I 63 -21.26 56.51 14.30 -18.82 55.33 14.94 -20.04 55.92 14.62 3 0 1000.00 -999 ? >ALA.I 64 -24.88 60.36 11.71 -24.52 60.56 10.19 -24.70 60.46 10.95 2 0 1000.00 -999 ? >ASP.I 65 -26.80 55.97 11.47 -25.24 55.09 12.75 -26.02 55.53 12.11 2 0 1000.00 -999 ? >GLY.I 66 -27.86 57.92 15.75 -27.21 57.48 15.48 -27.54 57.70 15.61 1 0 1000.00 -999 ? >GLY.I 67 -25.33 55.27 16.53 -25.31 56.13 16.60 -25.32 55.70 16.57 1 0 1000.00 -999 ? >SER^I 68 -22.89 56.16 19.24 -21.97 57.63 20.93 -22.43 56.89 20.09 2 0 1000.00 -999 ? >MET?I 69 -19.72 54.26 20.34 -16.89 52.48 17.80 -18.30 53.37 19.07 2 0 1000.00 -999 ? >THR^I 70 -17.97 54.64 23.68 -18.84 54.87 25.67 -18.41 54.76 24.68 2 0 1000.00 -999 ? >ILE^I 71 -13.35 54.50 22.79 -12.67 54.21 21.51 -13.01 54.36 22.15 3 0 1000.00 -999 ? >ARG.I 72 -15.57 52.79 30.21 -18.68 52.58 29.42 -17.13 52.68 29.81 2 0 1000.00 -999 ? >GLU.I 73 -7.32 53.99 30.14 -6.52 54.70 31.95 -6.92 54.35 31.04 2 0 1000.00 -999 ? >GLY.I 74 -7.45 50.75 27.22 -8.14 51.02 26.87 -7.80 50.89 27.04 1 0 1000.00 -999 ? >GLU^I 75 -11.87 49.57 26.08 -13.98 49.78 26.40 -12.93 49.67 26.24 2 0 1000.00 -999 ? >MET?I 76 -9.60 49.72 20.73 -5.91 47.83 19.55 -7.76 48.78 20.14 2 0 1000.00 -999 ? >ALA^I 77 -12.15 50.32 18.05 -13.13 51.18 18.80 -12.64 50.75 18.42 2 0 1000.00 -999 ? >VAL^I 78 -12.57 51.19 14.28 -11.81 49.87 12.64 -12.19 50.53 13.46 3 0 1000.00 -999 ? >VAL^I 79 -14.43 54.15 12.94 -14.87 56.16 13.73 -14.65 55.16 13.33 3 0 1000.00 -999 ? >PRO.I 80 -17.28 52.06 10.49 -15.41 53.22 10.20 -16.35 52.64 10.34 3 0 1000.00 -999 ? >LYS.I 81 -14.72 54.98 6.22 -10.43 56.52 3.30 -12.57 55.75 4.76 2 0 1000.00 -999 ? >SER.I 82 -17.23 57.53 4.83 -16.66 56.81 2.48 -16.95 57.17 3.66 2 0 1000.00 -999 ? >VAL.I 83 -19.32 58.01 7.91 -19.79 55.99 8.85 -19.56 57.00 8.38 3 0 1000.00 -999 ? >SER.I 84 -19.85 61.44 9.43 -20.97 62.83 7.79 -20.41 62.13 8.61 2 0 1000.00 -999 ? >HIS^I 85 -16.65 60.27 12.49 -14.88 60.67 11.43 -15.77 60.47 11.96 3 0 1000.00 -999 ? >ARG^I 86 -20.27 65.88 18.21 -23.34 65.92 18.36 -21.81 65.90 18.28 2 0 1000.00 -999 ? >PRO^I 87 -14.21 62.72 16.25 -15.82 62.50 17.80 -15.01 62.61 17.03 3 0 1000.00 -999 ? >ARG^I 88 -19.58 63.47 22.47 -21.53 61.17 23.33 -20.55 62.32 22.90 2 0 1000.00 -999 ? >SER^I 89 -14.66 63.36 25.65 -12.53 62.84 26.76 -13.59 63.10 26.20 2 0 1000.00 -999 ? >GLU^I 90 -18.22 64.21 30.71 -19.40 65.82 29.84 -18.81 65.02 30.28 2 0 1000.00 -999 ? >ASN^I 91 -13.06 63.76 31.95 -14.80 64.20 33.11 -13.93 63.98 32.53 2 0 1000.00 -999 ? >GLY^I 92 -10.06 64.25 28.31 -10.56 63.57 28.44 -10.31 63.91 28.37 1 0 1000.00 -999 ? >CYH^I 93 -8.84 61.35 26.29 -9.34 59.05 24.73 -9.09 60.20 25.51 2 0 1000.00 -999 ? >SER^I 94 -5.39 60.58 24.82 -4.04 61.31 26.64 -4.72 60.94 25.73 2 0 1000.00 -999 ? >LEU^I 95 -6.76 59.56 20.44 -8.17 58.53 19.06 -7.47 59.05 19.75 3 0 1000.00 -999 ? >VAL^I 96 -3.71 56.82 19.17 -1.90 55.74 19.58 -2.81 56.28 19.38 3 0 1000.00 -999 ? >LEU^I 97 -5.82 57.61 14.95 -7.18 59.25 15.35 -6.50 58.43 15.15 3 0 1000.00 -999 ? >ILE^I 98 -3.35 52.60 13.71 -2.69 51.69 14.41 -3.02 52.15 14.06 3 0 1000.00 -999 ? >GLU^I 99 -3.79 56.42 8.66 -4.37 57.98 7.35 -4.08 57.20 8.01 2 0 1000.00 -999 ? >LEU^I 100 -2.95 51.27 5.58 -2.31 49.40 6.64 -2.63 50.33 6.11 3 0 1000.00 -999 ? >GLU.J 4 -19.97 45.94 20.03 -20.35 43.88 20.37 -20.16 44.91 20.20 2 0 1000.00 -999 ? >THR.J 5 -15.11 48.14 20.98 -15.60 49.55 22.46 -15.35 48.84 21.72 2 0 1000.00 -999 ? >ILE^J 6 -11.35 45.31 21.19 -10.80 44.43 20.25 -11.07 44.87 20.72 3 0 1000.00 -999 ? >ASN^J 7 -12.37 45.56 26.96 -11.57 46.24 28.79 -11.97 45.90 27.88 2 0 1000.00 -999 ? >LEU~J 8 -6.59 45.65 25.33 -6.41 46.26 23.12 -6.50 45.96 24.22 3 0 1000.00 -999 ? >LYS~J 9 -7.66 43.72 29.29 -6.95 45.18 33.74 -7.30 44.45 31.51 2 0 1000.00 -999 ? >GLN~J 10 -13.45 41.64 29.17 -15.19 42.78 29.61 -14.32 42.21 29.39 2 0 1000.00 -999 ? >HIS~J 11 -11.31 40.55 23.96 -13.17 40.71 22.99 -12.24 40.63 23.48 3 0 1000.00 -999 ? >LEU~J 12 -5.53 40.08 27.52 -4.44 40.68 25.67 -4.98 40.38 26.59 3 0 1000.00 -999 ? >ALA~J 13 -7.74 37.86 30.87 -8.58 38.65 31.86 -8.16 38.26 31.37 2 0 1000.00 -999 ? >ALA~J 14 -9.84 35.28 29.02 -10.89 35.63 27.93 -10.36 35.45 28.48 2 0 1000.00 -999 ? >ILE.J 15 -5.89 34.59 26.18 -5.59 34.91 24.85 -5.74 34.75 25.51 3 0 1000.00 -999 ? >LYS.J 16 -5.03 31.20 29.51 -8.72 33.36 32.26 -6.88 32.28 30.89 2 0 1000.00 -999 ? >GLU.J 17 -4.03 27.56 26.52 -3.23 26.26 28.01 -3.63 26.91 27.26 2 0 1000.00 -999 ? >TYR.J 18 2.09 31.67 27.44 2.56 32.98 29.88 2.32 32.33 28.66 3 0 1000.00 -999 ? >TRP.J 19 3.76 31.81 20.08 6.22 32.13 23.09 4.99 31.97 21.59 3 0 1000.00 -999 ? >GLN.J 20 -3.93 28.55 21.47 -2.88 27.13 22.62 -3.40 27.84 22.04 2 0 1000.00 -999 ? >PRO.J 21 -2.90 33.18 17.29 -3.58 33.29 19.43 -3.24 33.24 18.36 3 0 1000.00 -999 ? >GLU^J 22 -9.59 35.22 21.16 -10.99 36.78 21.70 -10.29 36.00 21.43 2 0 1000.00 -999 ? >ILE^J 23 -8.20 36.01 14.87 -7.56 35.42 14.54 -7.88 35.72 14.71 3 0 1000.00 -999 ? >ILE^J 24 -11.00 40.56 17.24 -11.61 41.14 18.55 -11.31 40.85 17.89 3 0 1000.00 -999 ? >ASN^J 25 -12.65 40.92 11.76 -11.10 39.63 11.05 -11.88 40.28 11.40 2 0 1000.00 -999 ? >ARG^J 26 -15.11 45.11 15.76 -15.36 42.80 17.79 -15.23 43.96 16.77 2 0 1000.00 -999 ? >HIS.J 27 -15.77 48.37 10.31 -17.59 48.62 11.32 -16.68 48.49 10.82 3 0 1000.00 -999 ? >GLY.J 28 -10.83 46.55 7.37 -10.90 46.59 8.16 -10.87 46.57 7.77 1 0 1000.00 -999 ? >PHE^J 29 -8.06 47.80 10.86 -6.83 50.10 9.86 -7.44 48.95 10.36 3 0 1000.00 -999 ? >GLN^J 30 -7.31 39.77 11.91 -7.12 38.25 10.40 -7.22 39.01 11.15 2 0 1000.00 -999 ? >PHE^J 31 -7.88 44.11 16.28 -8.67 46.63 15.37 -8.28 45.37 15.82 3 0 1000.00 -999 ? >HIS^J 32 -3.53 38.28 15.03 -3.78 37.77 13.01 -3.65 38.03 14.02 3 0 1000.00 -999 ? >LEU^J 33 -5.28 39.49 21.83 -7.05 40.60 21.44 -6.16 40.04 21.64 3 0 1000.00 -999 ? >VAL^J 34 -1.59 36.55 22.13 -0.54 36.38 20.25 -1.07 36.46 21.19 3 0 1000.00 -999 ? >LYS^J 35 0.47 36.01 25.21 -3.74 36.12 29.91 -1.63 36.06 27.56 2 0 1000.00 -999 ? >LEU^J 36 4.98 36.40 23.76 4.30 36.57 21.65 4.64 36.49 22.71 3 0 1000.00 -999 ? >LEU.J 37 6.24 32.58 27.73 6.85 32.38 29.76 6.55 32.48 28.74 3 0 1000.00 -999 ? >GLY.J 38 10.00 32.06 25.64 9.36 32.32 25.07 9.68 32.19 25.36 1 0 1000.00 -999 ? >ASP.J 39 11.38 32.44 21.22 12.89 31.03 20.84 12.14 31.74 21.03 2 0 1000.00 -999 ? >TYR.J 40 6.59 28.94 19.40 5.01 27.42 21.20 5.80 28.18 20.30 3 0 1000.00 -999 ? >GLY.J 41 11.89 30.27 16.64 11.38 30.86 16.69 11.64 30.56 16.67 1 0 1000.00 -999 ? >TRP.J 42 15.47 31.43 14.42 16.60 35.18 14.33 16.03 33.31 14.37 3 0 1000.00 -999 ? >HIS.J 43 7.83 33.00 13.29 7.74 32.29 15.28 7.79 32.65 14.28 3 0 1000.00 -999 ? >THR.J 44 8.67 34.47 7.65 8.62 32.68 6.44 8.64 33.58 7.04 2 0 1000.00 -999 ? >HIS.J 45 4.80 37.39 10.50 5.08 38.91 11.93 4.94 38.15 11.21 3 0 1000.00 -999 ? >ASP.J 49 2.88 45.73 6.52 4.49 47.15 6.66 3.68 46.44 6.59 2 0 1000.00 -999 ? >LYS^J 50 1.77 44.63 11.00 1.50 38.59 10.37 1.63 41.61 10.68 2 0 1000.00 -999 ? >VAL^J 51 1.68 46.79 14.15 0.89 48.89 14.23 1.28 47.84 14.19 3 0 1000.00 -999 ? >LEU^J 52 3.79 44.56 17.54 4.72 42.82 16.48 4.26 43.69 17.01 3 0 1000.00 -999 ? >PHE^J 53 -0.37 48.20 22.17 -0.89 49.64 24.64 -0.63 48.92 23.40 3 0 1000.00 -999 ? >ALA^J 54 2.71 45.42 23.96 4.10 45.60 24.31 3.41 45.51 24.14 2 0 1000.00 -999 ? >VAL^J 55 -0.19 45.56 26.32 -2.23 45.21 25.83 -1.21 45.39 26.08 3 0 1000.00 -999 ? >GLU^J 56 0.58 43.57 31.61 -0.15 42.10 32.90 0.21 42.83 32.26 2 0 1000.00 -999 ? >GLY.J 57 5.02 43.02 30.15 4.69 43.48 29.55 4.86 43.25 29.85 1 0 1000.00 -999 ? >ASP.J 58 9.10 43.83 28.02 8.90 45.20 29.63 9.00 44.52 28.83 2 0 1000.00 -999 ? >MET?J 59 9.06 41.45 24.48 6.01 41.54 21.64 7.54 41.49 23.06 2 0 1000.00 -999 ? >ALA.J 60 11.44 41.66 21.55 12.86 41.50 22.00 12.15 41.58 21.77 2 0 1000.00 -999 ? >VAL.J 61 11.83 40.84 17.89 10.18 41.12 16.52 11.00 40.98 17.21 3 0 1000.00 -999 ? >ASP.J 62 16.11 38.62 17.16 16.15 38.61 19.26 16.13 38.61 18.21 2 0 1000.00 -999 ? >PHE.J 63 14.87 42.24 12.60 12.58 43.58 13.33 13.73 42.91 12.97 3 0 1000.00 -999 ? >ALA.J 64 18.15 37.82 10.82 17.66 37.26 9.51 17.91 37.54 10.17 2 0 1000.00 -999 ? >ASP.J 65 19.99 42.01 9.08 19.09 43.57 10.22 19.54 42.79 9.65 2 0 1000.00 -999 ? >GLY.J 66 21.55 40.95 13.56 20.80 41.30 13.40 21.17 41.12 13.48 1 0 1000.00 -999 ? >GLY.J 67 19.12 43.67 14.53 18.99 42.91 14.65 19.05 43.29 14.59 1 0 1000.00 -999 ? >SER^J 68 16.85 43.52 17.47 16.58 42.39 19.52 16.72 42.96 18.50 2 0 1000.00 -999 ? >MET?J 69 13.82 45.53 18.43 10.55 46.76 15.91 12.19 46.14 17.17 2 0 1000.00 -999 ? >THR^J 70 12.49 45.93 21.94 13.67 45.81 23.64 13.08 45.87 22.79 2 0 1000.00 -999 ? >ILE^J 71 7.75 46.04 21.84 6.88 46.31 20.54 7.31 46.18 21.19 3 0 1000.00 -999 ? >ARG.J 72 11.53 47.57 27.59 11.86 49.15 30.16 11.69 48.36 28.88 2 0 1000.00 -999 ? >GLU.J 73 3.25 47.58 29.76 2.87 46.98 31.73 3.06 47.28 30.75 2 0 1000.00 -999 ? >GLY.J 74 2.92 50.32 26.55 3.55 49.99 26.08 3.23 50.16 26.32 1 0 1000.00 -999 ? >GLU^J 75 7.22 50.99 24.73 9.34 51.18 24.56 8.28 51.08 24.65 2 0 1000.00 -999 ? >MET?J 76 4.07 50.16 19.91 0.41 51.94 18.34 2.24 51.05 19.13 2 0 1000.00 -999 ? >ALA^J 77 5.95 49.17 16.72 7.24 48.46 17.14 6.59 48.81 16.93 2 0 1000.00 -999 ? >VAL^J 78 5.84 47.77 13.23 5.40 49.05 11.46 5.62 48.41 12.34 3 0 1000.00 -999 ? >VAL^J 79 7.39 44.48 12.06 7.58 42.57 13.10 7.48 43.52 12.58 3 0 1000.00 -999 ? >PRO.J 80 10.48 45.42 9.39 8.23 45.14 9.14 9.35 45.28 9.26 3 0 1000.00 -999 ? >LYS.J 81 6.47 42.74 6.00 6.45 45.35 0.00 6.46 44.04 3.00 2 0 1000.00 -999 ? >SER.J 82 8.73 40.33 4.22 9.31 40.49 1.79 9.02 40.41 3.01 2 0 1000.00 -999 ? >VAL.J 83 11.58 39.39 6.62 13.27 40.49 7.52 12.43 39.94 7.07 3 0 1000.00 -999 ? >SER.J 84 12.59 36.56 8.93 14.84 35.58 8.82 13.71 36.07 8.87 2 0 1000.00 -999 ? >HIS^J 85 10.18 38.23 12.37 8.17 37.78 11.94 9.18 38.01 12.15 3 0 1000.00 -999 ? >ARG^J 86 14.32 33.60 18.07 17.31 33.74 18.57 15.81 33.67 18.32 2 0 1000.00 -999 ? >PRO^J 87 7.77 36.71 16.66 9.71 37.08 17.86 8.74 36.89 17.26 3 0 1000.00 -999 ? >ARG^J 88 14.24 36.72 22.01 15.64 39.33 22.95 14.94 38.03 22.48 2 0 1000.00 -999 ? >SER.J 89 9.73 37.43 25.58 7.85 38.19 26.92 8.79 37.81 26.25 2 0 1000.00 -999 ? >GLU.J 90 14.18 37.38 29.84 15.49 36.12 28.69 14.84 36.75 29.27 2 0 1000.00 -999 ? >ASN.J 91 9.52 38.02 32.14 11.39 37.61 33.09 10.45 37.81 32.61 2 0 1000.00 -999 ? >GLY.J 92 5.73 37.08 29.39 6.16 37.77 29.30 5.94 37.42 29.35 1 0 1000.00 -999 ? >CYH^J 93 4.02 39.63 27.29 4.47 41.48 25.35 4.25 40.55 26.32 2 0 1000.00 -999 ? >SER^J 94 0.40 40.32 26.29 -0.90 39.86 28.28 -0.25 40.09 27.28 2 0 1000.00 -999 ? >LEU^J 95 1.54 40.74 21.98 2.43 41.30 19.98 1.98 41.02 20.98 3 0 1000.00 -999 ? >VAL^J 96 -2.15 42.92 20.34 -3.98 44.14 20.56 -3.06 43.53 20.45 3 0 1000.00 -999 ? >LEU^J 97 -0.75 41.70 15.87 0.64 40.35 16.24 -0.06 41.03 16.06 3 0 1000.00 -999 ? >ILE^J 98 -3.31 46.45 14.33 -3.58 46.75 15.11 -3.45 46.60 14.72 3 0 1000.00 -999 ? >GLU^J 99 -3.15 41.73 10.33 -2.11 40.02 9.56 -2.63 40.87 9.95 2 0 1000.00 -999 ? >LEU^J 100 -4.77 45.10 5.75 -4.28 44.15 3.70 -4.53 44.62 4.72 3 0 1000.00 -999 ?