Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 5.97 14 14.9 1.05 4 6.4 0.41 4 67.6 8.16 2 6.46 16 15.5 0.87 3 7.2 0.41 1 51.4 9.05 3 6.50 16 15.7 1.19 4 6.8 0.42 2 60.8 9.01 4 6.73 16 16.8 0.95 5 8.4 0.51 3 75.8 7.48 5 6.99 24 17.7 1.02 5 7.8 0.42 4 62.3 8.32 6 7.01 23 18.2 0.95 4 8.2 0.48 5 78.3 7.35 7 7.06 17 17.8 0.80 4 7.5 0.46 2 45.6 8.02 8 7.12 20 16.5 1.06 4 7.0 0.37 2 56.8 10.30 9 7.26 23 18.8 0.78 4 8.2 0.48 2 44.5 7.63 10 7.26 18 17.8 0.86 9 9.2 0.47 2 74.9 7.40 11 7.27 20 17.7 1.13 6 8.9 0.37 2 72.7 10.09 12 7.32 21 17.9 0.99 6 7.9 0.44 2 45.0 8.99 13 7.37 20 17.8 1.09 6 8.3 0.30 4 73.8 11.16 14 7.39 24 18.8 0.90 3 7.8 0.49 2 56.7 7.94 15 7.39 18 16.8 1.09 4 7.9 0.38 3 72.2 10.33 16 7.42 23 18.4 0.82 8 9.0 0.46 5 84.3 7.02 17 7.42 18 17.6 0.96 3 8.6 0.42 1 62.0 9.39 18 7.43 21 17.9 1.04 6 8.7 0.36 2 59.9 9.72 19 7.47 24 17.3 1.07 7 7.7 0.31 6 74.5 11.02 20 7.48 23 18.7 1.22 5 7.5 0.37 5 96.4 11.26 Ave 7.12 20 17.4 0.99 5 7.9 0.42 3 65.8 8.98 +/- 0.40 3 1.1 0.12 2 0.7 0.06 1 13.4 1.34 Min 5.97 14 14.9 0.78 3 6.4 0.30 1 44.5 7.02 Max 7.48 24 18.8 1.22 9 9.2 0.51 6 96.4 11.26 Constraints violated in 1 or more structures: Cutoffs: Upper distance limits : 0.20 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper HA VAL 84 - HB VAL 84 2.77 1 0.03 0.23 * Upper HB3 LEU 68 - HN LYS+ 69 3.70 1 0.11 0.37 * Upper HN VAL 4 - HB VAL 4 3.27 2 0.15 0.20 * + Upper HN ASN 12 - HB3 ASN 12 3.52 1 0.02 0.35 * Upper HB2 LYS+ 20 - HN LYS+ 21 4.14 1 0.09 0.30 * Upper HN LYS+ 21 - HB3 LYS+ 21 3.02 1 0.02 0.41 * Upper HB2 LEU 28 - HN ASN 29 3.55 9 0.19 0.35 ++ * + + +++ + Upper HA LYS+ 32 - HB3 LEU 35 3.58 1 0.07 0.21 * Upper HA GLU- 36 - HN THR 41 3.61 13 0.23 0.39 + +++ + ++++* +++ Upper HA GLU- 36 - HN GLY 40 3.86 18 0.34 0.45 +++++++++ +++++ +++* Upper HA VAL 39 - HN THR 41 4.04 20 0.77 0.82 ++++++++++++++++++*+ Upper HB VAL 39 - HN THR 41 3.55 16 0.32 0.47 +++++++ ++ +++ *+++ Upper HB VAL 39 - HN GLY 40 3.45 1 0.13 0.21 * Upper HN THR 41 - HB THR 41 3.39 3 0.05 0.27 + + * Upper HB THR 41 - HN THR 42 3.21 20 0.42 0.55 +++*++++++++++++++++ Upper HB2 SER 45 - HN MET 46 4.10 3 0.12 0.23 + * + Upper HN ASP- 55 - HA ASP- 55 2.71 1 0.02 0.21 * Upper HB2 GLN 56 - HN LEU 57 4.10 4 0.14 0.33 ++ * + Upper HN GLN 56 - HB3 GLN 56 3.48 3 0.12 0.36 + * + Upper HN LYS+ 66 - HB3 LYS+ 66 3.52 1 0.08 0.23 * Upper HN LYS+ 66 - HB2 LYS+ 66 3.52 1 0.04 0.26 * Upper HB2 ARG+ 74 - HN ASP- 75 3.21 2 0.11 0.46 * + Upper HN ASP- 75 - HB2 ASP- 75 3.24 2 0.06 0.24 +* Upper HN ASP- 75 - HB3 ASP- 75 3.24 1 0.03 0.21 * Upper HN ARG+ 47 - HA ALA 81 4.01 3 0.16 0.31 + * + Upper HN ASP- 83 - HB3 ASP- 83 3.27 2 0.07 0.22 * + Upper HB3 ASP- 52 - HN GLY 53 3.48 2 0.05 0.26 + * Upper HA LYS+ 33 - HB2 GLU- 36 3.36 9 0.33 0.84 + +*+ + ++ ++ Upper HA LYS+ 34 - HB2 LEU 37 3.21 6 0.15 0.22 + + * +++ Upper HA LYS+ 34 - HB3 LEU 37 3.21 12 0.22 0.32 ++ +++ ++++ ++* Upper HA LYS+ 33 - HB3 GLU- 36 3.36 1 0.03 0.30 * Upper HA LEU 35 - HB VAL 38 3.27 1 0.04 0.27 * Upper HB3 PRO 23 - HN MET 26 3.86 17 0.24 0.34 ++*+ ++++++ +++++ ++ Upper HA VAL 38 - HN THR 41 3.27 20 0.99 1.22 +++++++++++++++++++* Upper HN LEU 68 - HG LEU 68 3.11 2 0.08 0.22 + * Upper HA GLU- 3 - HG2 GLU- 3 3.21 1 0.02 0.33 * Upper HB2 PHE 16 - HD2 PRO 17 4.60 1 0.02 0.21 * Upper HB3 PHE 16 - HD3 PRO 17 4.60 2 0.09 0.23 + * Upper HB2 PHE 51 - HN ARG+ 78 5.28 1 0.02 0.30 * Upper HA LYS+ 33 - HG2 GLU- 36 4.14 3 0.06 0.25 * ++ Upper HA LYS+ 33 - HG3 GLU- 36 4.14 4 0.11 0.58 ++ + * Upper HA LYS+ 66 - HG3 LYS+ 66 3.76 1 0.03 0.27 * Upper HB3 TYR 5 - QD1 LEU 7 5.94 1 0.05 0.22 * Upper QG2 THR 11 - QB ALA 13 6.01 1 0.01 0.24 * Upper HA GLU- 36 - QG2 THR 41 5.23 15 0.26 0.37 +++ +++++++ *++++ Upper QG2 THR 41 - HA ASP- 83 5.16 12 0.22 0.36 ++ ++ ++ + * ++++ Upper HG LEU 50 - QD1 ILE 79 3.95 2 0.03 0.33 + * Upper HN HIS 80 - HN ALA 81 4.32 2 0.12 0.23 + * Upper HN LEU 7 - HB3 LEU 7 3.55 1 0.05 0.27 * Upper HB2 ASP- 6 - HN LEU 7 4.04 6 0.10 0.36 + + + + + * Upper HB3 ASP- 6 - HN LEU 7 4.04 6 0.12 0.35 + + + + + * Upper HN ASP- 6 - HB3 ASP- 6 3.24 4 0.09 0.24 + ++ * Upper HN SER 27 - HN ASP- 30 4.04 1 0.07 0.22 * Upper HB2 ASN 12 - HN ALA 13 4.17 1 0.05 0.20 * Upper HN SER 27 - HN LEU 28 4.26 1 0.11 0.23 * Upper HA GLU- 89 - HN ASP- 90 3.14 1 0.02 0.40 * Upper HN VAL 73 - HB VAL 73 3.08 2 0.04 0.41 + * Upper HN MET 46 - HB2 MET 46 3.17 3 0.04 0.25 + + * Upper HN LYS+ 21 - HB2 LYS+ 21 3.02 1 0.02 0.36 * Upper HN GLY 59 - HN GLU- 60 4.23 1 0.13 0.25 * Upper HA1 GLY 53 - HN ASP- 55 4.20 2 0.05 0.38 + * Upper HN GLY 53 - HN ASP- 55 4.07 2 0.02 0.27 * + Upper HA PHE 51 - HN GLN 56 4.32 1 0.07 0.24 * Upper HB VAL 43 - HN ASP- 44 3.27 7 0.17 0.36 * + + + + + + Upper HB THR 11 - HN ASN 12 2.90 1 0.10 0.30 * Upper HB VAL 38 - HN VAL 39 3.02 4 0.14 0.26 + +* + Upper HB2 GLU- 36 - HN LEU 37 3.61 9 0.20 0.62 * +++ + ++ ++ Upper HN SER 67 - HN LYS+ 69 4.51 3 0.12 0.31 + + * Upper HA LEU 61 - HN THR 62 2.96 11 0.19 0.38 + * +++ ++ ++ ++ Upper HN THR 42 - HN VAL 43 4.20 20 0.42 0.47 +++++++++++*++++++++ Upper HB THR 10 - HN THR 11 2.83 6 0.18 0.36 + * +++ + Upper HN THR 11 - HA HIS 80 4.72 1 0.09 0.25 * Upper HA LEU 37 - HN GLY 40 3.89 9 0.23 0.38 + + ++ *+ + ++ Upper HN GLY 53 - HA TYR 77 4.48 1 0.05 0.23 * Upper HN LEU 28 - HN LYS+ 66 4.35 4 0.15 0.28 + * + + Upper HN ASP- 54 - HB3 ASP- 54 3.45 6 0.11 0.37 + + * ++ + Upper HN LEU 50 - HN LEU 61 4.01 1 0.09 0.25 * Upper HA LYS+ 33 - HN GLU- 36 3.27 6 0.11 0.27 +*+ + ++ Upper HA LYS+ 34 - HN LEU 37 3.21 18 0.33 0.47 + +++++*+++++++++++ Upper HB2 GLU- 8 - HN ILE 9 4.07 1 0.12 0.22 * Upper HN ILE 9 - HA PRO 17 4.63 1 0.04 0.21 * Upper HG LEU 50 - HN ARG+ 78 5.07 1 0.02 0.22 * Upper HG3 GLU- 36 - HN THR 41 5.50 1 0.02 0.23 * Upper HN LEU 31 - HG2 LYS+ 32 5.50 1 0.02 0.21 * Upper HG2 GLU- 36 - HN THR 41 5.50 5 0.10 0.46 + *+ + + Upper QE LYS+ 32 - HN MET 46 6.38 2 0.09 0.32 * + Angle PSI TYR 5 112.00 140.00 1 2.27 5.33 * Angle PSI LEU 7 129.00 155.00 4 2.64 6.49 + + + * Angle PHI GLU- 8 213.00 249.00 1 2.00 7.58 * Angle PHI ASP- 30 284.00 304.00 1 1.34 5.32 * Angle PSI LYS+ 33 315.00 335.00 5 2.87 6.46 * +++ + Angle PSI LYS+ 34 317.00 339.00 2 1.97 5.57 * + Angle PHI LEU 37 285.00 305.00 1 1.36 5.15 * Angle PHI VAL 38 271.00 303.00 16 7.33 11.16 + + +++++ ++*+++ +++ Angle PHI VAL 39 245.00 279.00 20 8.52 11.26 +++++++++++++++++++* Angle PSI VAL 43 313.00 347.00 1 1.50 6.20 * Angle PHI ASP- 44 263.00 299.00 7 4.29 10.31 + +++ + + * 86 violated distance constraints. 11 violated angle constraints. RMSDs for residues 1..85: Average backbone RMSD to mean : 0.63 +/- 0.11 A (0.45..0.90 A) Average heavy atom RMSD to mean : 1.17 +/- 0.10 A (0.93..1.34 A) Pairwise RMSD table [A]: (Mean structure is "selected atoms" fitted for residues 1..85.) 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 mean 1 0.76 0.80 0.67 1.08 0.57 0.82 1.04 0.97 1.02 0.94 0.84 1.01 0.92 0.90 1.00 0.87 0.87 0.94 1.20 0.62 2 1.73 0.68 0.73 0.73 0.87 0.69 1.00 0.83 0.93 0.79 0.56 0.93 0.60 0.90 0.88 0.53 0.67 0.87 1.04 0.45 3 1.78 1.35 0.74 0.97 0.83 0.84 0.93 0.89 0.71 0.91 0.69 0.84 0.73 0.83 0.91 0.71 0.96 0.88 1.13 0.52 4 1.79 1.34 1.38 1.06 0.55 0.80 1.08 0.94 0.99 0.81 0.91 0.94 0.96 0.57 0.92 0.89 0.73 0.87 1.10 0.56 5 1.83 1.63 1.84 1.80 1.13 0.94 1.07 0.87 1.14 0.76 0.79 0.91 1.07 1.08 0.97 0.90 1.00 0.96 1.03 0.71 6 1.64 1.60 1.67 1.26 1.98 0.86 1.00 1.02 1.03 0.97 0.95 1.00 1.08 0.75 0.96 0.94 0.91 0.89 1.17 0.65 7 1.40 1.60 1.76 1.71 1.82 1.80 0.96 0.73 0.99 0.94 0.73 0.78 0.95 0.87 0.84 0.72 0.71 0.54 1.10 0.51 8 1.77 1.64 1.68 1.84 2.09 1.68 1.73 0.85 0.91 0.95 0.94 0.83 1.28 0.84 1.06 1.03 1.13 0.80 1.18 0.74 9 1.79 1.63 1.72 1.67 1.61 1.80 1.51 1.71 1.14 0.78 0.87 0.63 1.11 0.84 1.20 1.03 0.81 0.75 1.11 0.64 10 1.84 1.68 1.54 1.78 2.09 1.70 1.79 1.60 2.01 1.07 0.77 1.06 0.97 0.95 0.82 0.87 1.15 0.96 1.29 0.73 11 1.81 1.39 1.49 1.36 1.66 1.64 1.77 1.70 1.53 1.74 0.88 0.90 1.15 0.81 0.91 0.93 0.97 0.87 0.94 0.62 12 1.53 1.43 1.55 1.73 1.65 1.81 1.47 1.71 1.60 1.80 1.59 0.96 0.73 0.96 0.86 0.57 0.88 0.78 1.15 0.52 13 1.94 1.76 1.72 1.77 1.52 1.83 1.72 1.89 1.34 1.94 1.70 1.77 1.15 0.76 1.09 1.06 0.93 0.69 1.18 0.65 14 1.80 1.30 1.44 1.68 1.90 1.84 1.86 1.85 1.87 1.83 1.80 1.51 1.99 1.14 1.14 0.81 0.92 1.16 1.33 0.77 15 1.75 1.50 1.58 1.17 1.93 1.54 1.62 1.66 1.81 1.66 1.48 1.78 1.87 1.82 0.97 1.03 0.83 0.79 1.09 0.60 16 1.74 1.52 1.46 1.50 1.76 1.54 1.64 1.75 1.90 1.52 1.48 1.67 1.89 1.70 1.62 0.80 1.15 0.83 1.02 0.70 17 1.79 1.42 1.65 1.75 2.04 1.84 1.56 1.78 2.07 1.66 1.68 1.59 2.08 1.77 1.63 1.59 0.89 0.86 1.13 0.58 18 1.83 1.41 1.73 1.54 1.88 1.71 1.59 1.72 1.68 1.83 1.73 1.80 1.82 1.68 1.52 1.84 1.69 0.91 1.20 0.65 19 1.66 1.71 1.74 1.72 1.79 1.71 1.32 1.56 1.49 1.64 1.68 1.59 1.52 2.01 1.64 1.62 1.73 1.80 1.08 0.56 20 1.99 1.50 1.61 1.58 1.87 1.77 1.83 1.85 1.88 1.78 1.49 1.85 1.97 1.87 1.66 1.49 1.79 1.87 1.80 0.90 mean 1.25 0.93 1.06 1.04 1.34 1.18 1.12 1.24 1.20 1.26 1.06 1.11 1.30 1.27 1.10 1.10 1.24 1.20 1.14 1.26 Average pairwise RMSD of each structure to the rest of the bundle: Structure 1 (bb ): 0.91 +/- 0.15 A (0.57..1.20 A) (heavy): 1.76 +/- 0.13 A (1.40..1.99 A) Structure 2 (bb ): 0.79 +/- 0.15 A (0.53..1.04 A) (heavy): 1.53 +/- 0.14 A (1.30..1.76 A) Structure 3 (bb ): 0.84 +/- 0.12 A (0.68..1.13 A) (heavy): 1.62 +/- 0.14 A (1.35..1.84 A) Structure 4 (bb ): 0.86 +/- 0.16 A (0.55..1.10 A) (heavy): 1.60 +/- 0.20 A (1.17..1.84 A) Structure 5 (bb ): 0.97 +/- 0.12 A (0.73..1.14 A) (heavy): 1.83 +/- 0.16 A (1.52..2.09 A) Structure 6 (bb ): 0.92 +/- 0.16 A (0.55..1.17 A) (heavy): 1.70 +/- 0.15 A (1.26..1.98 A) Structure 7 (bb ): 0.83 +/- 0.13 A (0.54..1.10 A) (heavy): 1.66 +/- 0.15 A (1.32..1.86 A) Structure 8 (bb ): 1.00 +/- 0.13 A (0.80..1.28 A) (heavy): 1.75 +/- 0.12 A (1.56..2.09 A) Structure 9 (bb ): 0.91 +/- 0.15 A (0.63..1.20 A) (heavy): 1.72 +/- 0.18 A (1.34..2.07 A) Structure 10 (bb ): 0.99 +/- 0.14 A (0.71..1.29 A) (heavy): 1.76 +/- 0.15 A (1.52..2.09 A) Structure 11 (bb ): 0.91 +/- 0.10 A (0.76..1.15 A) (heavy): 1.62 +/- 0.14 A (1.36..1.81 A) Structure 12 (bb ): 0.83 +/- 0.14 A (0.56..1.15 A) (heavy): 1.66 +/- 0.13 A (1.43..1.85 A) Structure 13 (bb ): 0.93 +/- 0.15 A (0.63..1.18 A) (heavy): 1.79 +/- 0.18 A (1.34..2.08 A) Structure 14 (bb ): 1.01 +/- 0.19 A (0.60..1.33 A) (heavy): 1.76 +/- 0.18 A (1.30..2.01 A) Structure 15 (bb ): 0.89 +/- 0.14 A (0.57..1.14 A) (heavy): 1.65 +/- 0.17 A (1.17..1.93 A) Structure 16 (bb ): 0.97 +/- 0.12 A (0.80..1.20 A) (heavy): 1.64 +/- 0.14 A (1.46..1.90 A) Structure 17 (bb ): 0.87 +/- 0.16 A (0.53..1.13 A) (heavy): 1.74 +/- 0.17 A (1.42..2.08 A) Structure 18 (bb ): 0.93 +/- 0.15 A (0.67..1.20 A) (heavy): 1.72 +/- 0.13 A (1.41..1.88 A) Structure 19 (bb ): 0.86 +/- 0.13 A (0.54..1.16 A) (heavy): 1.67 +/- 0.15 A (1.32..2.01 A) Structure 20 (bb ): 1.13 +/- 0.09 A (0.94..1.33 A) (heavy): 1.76 +/- 0.16 A (1.49..1.99 A) Mean structure (bb ): 0.63 +/- 0.11 A (0.45..0.90 A) (heavy): 1.17 +/- 0.10 A (0.93..1.34 A) Average global and local displacements [A]: backbone heavy atoms backbone heavy atoms 1 MET : 1.68 2.11 0.00 0.00 2 THR : 0.93 1.38 0.17 0.77 3 GLU- : 0.44 1.12 0.19 0.89 4 VAL : 0.33 0.37 0.06 0.10 5 TYR : 0.34 2.46 0.05 2.34 6 ASP- : 0.40 1.36 0.10 1.24 7 LEU : 0.39 0.95 0.06 1.01 8 GLU- : 0.37 0.94 0.04 0.80 9 ILE : 0.40 0.74 0.09 0.42 10 THR : 0.36 0.76 0.10 0.67 11 THR : 0.39 0.44 0.06 0.14 12 ASN : 0.49 0.81 0.11 0.62 13 ALA : 0.80 0.90 0.16 0.26 14 THR : 0.64 0.68 0.08 0.22 15 ASP- : 0.60 1.11 0.06 0.77 16 PHE : 0.54 2.23 0.07 2.12 17 PRO : 0.48 0.57 0.03 0.05 18 MET : 0.44 0.86 0.04 0.51 19 GLU- : 0.49 1.15 0.03 0.94 20 LYS+ : 0.47 1.09 0.07 0.92 21 LYS+ : 0.42 0.88 0.05 0.82 22 TYR : 0.36 0.91 0.04 0.72 23 PRO : 0.37 0.42 0.04 0.06 24 ALA : 0.28 0.32 0.05 0.09 25 GLY : 0.25 0.28 0.04 0.05 26 MET : 0.34 0.57 0.05 0.40 27 SER : 0.43 0.47 0.04 0.10 28 LEU : 0.46 0.73 0.03 0.53 29 ASN : 0.56 1.05 0.03 0.81 30 ASP- : 0.45 0.78 0.05 0.59 31 LEU : 0.39 0.78 0.05 0.72 32 LYS+ : 0.50 1.05 0.05 1.03 33 LYS+ : 0.43 0.90 0.05 0.60 34 LYS+ : 0.38 0.91 0.04 0.82 35 LEU : 0.53 0.74 0.04 0.17 36 GLU- : 0.48 1.70 0.04 1.55 37 LEU : 0.56 0.71 0.05 0.26 38 VAL : 0.76 0.85 0.03 0.11 39 VAL : 0.80 0.83 0.02 0.15 40 GLY : 0.80 0.83 0.04 0.09 41 THR : 0.62 0.67 0.07 0.18 42 THR : 0.60 0.82 0.09 0.35 43 VAL : 0.56 0.74 0.05 0.26 44 ASP- : 0.53 0.92 0.03 0.58 45 SER : 0.39 0.44 0.05 0.11 46 MET : 0.37 1.49 0.07 1.34 47 ARG+ : 0.36 1.33 0.07 1.23 48 ILE : 0.32 0.66 0.05 0.57 49 GLN : 0.30 0.94 0.04 0.86 50 LEU : 0.27 0.52 0.08 0.42 51 PHE : 0.41 1.27 0.13 1.20 52 ASP- : 0.78 1.49 0.48 1.24 53 GLY : 1.42 1.60 0.66 0.89 54 ASP- : 1.23 2.33 0.60 1.28 55 ASP- : 0.97 1.44 0.26 0.75 56 GLN : 0.79 1.33 0.13 0.92 57 LEU : 0.71 0.87 0.06 0.36 58 LYS+ : 0.80 1.12 0.08 0.90 59 GLY : 0.84 0.81 0.17 0.24 60 GLU- : 0.58 1.08 0.10 0.72 61 LEU : 0.55 1.42 0.13 1.01 62 THR : 0.69 0.82 0.07 0.11 63 ASP- : 0.52 0.98 0.25 0.86 64 GLY : 0.47 0.49 0.18 0.20 65 ALA : 0.50 0.53 0.04 0.08 66 LYS+ : 0.44 0.90 0.08 0.72 67 SER : 0.33 0.36 0.06 0.12 68 LEU : 0.36 0.84 0.02 0.69 69 LYS+ : 0.40 0.93 0.03 0.69 70 ASP- : 0.44 0.83 0.02 0.56 71 LEU : 0.44 0.53 0.03 0.31 72 GLY : 0.40 0.41 0.06 0.12 73 VAL : 0.40 0.70 0.20 0.54 74 ARG+ : 0.43 1.44 0.18 1.34 75 ASP- : 0.41 1.22 0.07 1.12 76 GLY : 0.32 0.32 0.04 0.06 77 TYR : 0.28 1.14 0.05 1.10 78 ARG+ : 0.26 1.81 0.06 1.85 79 ILE : 0.28 0.51 0.05 0.40 80 HIS : 0.27 0.30 0.07 0.16 81 ALA : 0.38 0.43 0.05 0.07 82 VAL : 0.41 0.62 0.08 0.37 83 ASP- : 0.53 1.13 0.06 0.79 84 VAL : 0.60 0.87 0.05 0.51 85 THR : 0.77 0.84 0.03 0.14 86 GLY : 1.03 1.11 0.09 0.13 87 GLY : 1.39 1.63 0.26 0.69 88 ASN : 1.52 1.87 0.59 1.54 89 GLU- : 3.15 3.61 0.59 1.63 90 ASP- : 5.08 5.66 0.00 0.00