Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 8.44 49 24.6 0.75 1 4.7 0.23 2 41.5 6.42 2 8.56 50 25.2 0.78 1 4.9 0.22 1 45.5 6.45 3 8.56 50 26.0 0.75 2 5.1 0.21 1 46.1 5.21 4 8.57 48 25.0 0.81 1 5.4 0.25 2 46.4 5.39 5 8.66 45 25.9 0.76 1 4.6 0.27 2 50.3 5.91 6 8.69 53 26.2 0.78 0 5.1 0.18 1 48.1 6.11 7 8.71 47 25.5 0.77 1 4.5 0.24 1 46.6 6.57 8 8.72 46 25.9 0.74 1 4.9 0.23 2 54.8 7.12 9 8.79 53 25.7 0.81 1 4.9 0.22 2 42.9 6.41 10 8.80 52 25.6 0.75 1 5.2 0.27 2 44.9 6.12 11 8.81 43 25.4 0.91 1 4.9 0.23 2 47.2 9.55 12 8.82 48 25.6 0.78 1 4.5 0.23 1 45.8 6.87 13 8.85 49 26.0 0.79 1 5.3 0.24 2 49.3 6.57 14 8.86 48 25.8 0.78 1 5.0 0.21 1 48.4 6.54 15 8.86 49 26.2 0.74 1 5.3 0.22 2 45.1 5.85 16 8.87 47 25.6 0.91 1 4.8 0.20 1 47.6 10.89 17 8.89 50 26.4 0.75 0 5.2 0.20 1 44.8 6.86 18 8.92 52 26.6 0.77 1 5.4 0.24 1 45.7 5.40 19 8.94 45 25.4 0.85 1 4.4 0.24 2 46.9 8.95 20 8.99 50 26.3 0.73 1 4.8 0.22 2 48.0 6.09 Ave 8.76 49 25.7 0.79 1 4.9 0.23 2 46.8 6.76 +/- 0.14 3 0.5 0.05 0 0.3 0.02 0 2.7 1.40 Min 8.44 43 24.6 0.73 0 4.4 0.18 1 41.5 5.21 Max 8.99 53 26.6 0.91 2 5.4 0.27 2 54.8 10.89 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 HN ARG+ 53 - HA ARG+ 53 2.59 20 0.28 0.29 +++++++++++++++++*++ Upper HN GLU- 54 - HA GLU- 54 2.52 20 0.38 0.39 +++++++++++++*++++++ Upper HA GLU- 54 - HN LYS+ 55 2.80 20 0.42 0.45 +++++++++++++*++++++ Upper HA ASP- 82 - HB3 ASP- 82 2.74 20 0.24 0.32 +++++++++++++++++++* Upper HA LEU 90 - HB2 LEU 90 2.49 20 0.32 0.32 ++++++++++++*+++++++ Upper HN ILE 101 - HB ILE 101 2.74 20 0.38 0.41 ++++++++++*+++++++++ Upper HA VAL 62 - HB VAL 62 2.65 1 0.02 0.37 * Upper HA ARG+ 84 - HB2 ARG+ 84 2.77 4 0.06 0.28 +* + + Upper HA GLN 16 - HB2 GLN 16 2.83 7 0.12 0.21 + +* + ++ + Upper HA THR 38 - HN THR 39 2.40 5 0.12 0.23 + + + * + Upper HN GLU- 18 - HB3 GLU- 18 3.24 20 0.31 0.36 ++++++++++++++++++*+ Upper HN HIS+ 98 - HB3 HIS+ 98 3.18 20 0.31 0.34 +++++++*++++++++++++ Upper HN GLU- 45 - HB3 GLU- 45 3.05 20 0.44 0.45 +++++++++*++++++++++ Upper HB THR 38 - HN THR 39 3.14 10 0.25 0.40 ++ + + + + + *++ Upper HA GLU- 45 - HB ILE 48 3.14 1 0.09 0.29 * Upper HN LEU 43 - HB3 LEU 43 3.08 15 0.23 0.45 ++ ++++++ + ++++ +* Upper HN PHE 34 - HB3 PHE 34 3.24 18 0.27 0.34 ++++*++++ +++++++ ++ Upper HN ASP- 28 - HB2 ASP- 28 3.18 4 0.16 0.23 * + + + Upper HB2 LEU 17 - HN GLU- 18 3.42 20 0.68 0.71 +++++++++++++++++++* Upper HA THR 46 - HN SER 49 3.11 1 0.03 0.20 * Upper HA ALA 42 - HB3 GLU- 45 3.24 12 0.20 0.23 +++ ++ *+ + ++++ Upper HN GLN 16 - HB3 GLN 16 3.05 15 0.32 0.51 * +++++++ + +++++ + Upper HN LEU 90 - HB3 LEU 90 3.18 20 0.26 0.26 +++*++++++++++++++++ Upper HA GLU- 56 - HB3 GLU- 56 2.40 20 0.62 0.65 +++++++++++++++*++++ Upper HB3 PRO 52 - HN ARG+ 53 3.61 11 0.22 0.31 + +++++ * + +++ Upper HA VAL 99 - HB ILE 100 3.42 20 0.58 0.60 +++++++++*++++++++++ Upper HN VAL 13 - HB VAL 13 2.59 1 0.01 0.27 * Upper HA SER 85 - HB3 SER 85 2.59 17 0.31 0.42 ++++++ ++++ ++ ++++* Upper HA SER 85 - HB2 SER 85 2.59 3 0.16 0.21 + + * Upper HN SER 85 - HB2 SER 85 2.99 3 0.08 0.37 * + + Upper HB2 LEU 17 - HG LEU 17 2.65 20 0.33 0.38 ++*+++++++++++++++++ Upper HA GLN 16 - HG3 GLN 16 3.11 13 0.17 0.31 +++++ +++ + ++*+ Upper HA LYS+ 32 - HG3 LYS+ 32 3.24 20 0.74 0.81 ++++++++*+++++++++++ Upper HZ PHE 21 - HA VAL 47 4.26 18 0.27 0.43 ++++++++*++++ +++++ Upper HA LYS+ 32 - HG2 LYS+ 32 3.24 20 0.30 0.38 ++++++++++*+++++++++ Upper HA ILE 100 - HG13 ILE 100 3.30 9 0.10 0.22 + *+ +++ ++ + Upper HA GLU- 45 - HG3 GLU- 45 3.33 1 0.15 0.20 * Upper HZ PHE 21 - HB2 LEU 43 4.42 2 0.11 0.24 + * Upper HZ PHE 21 - HB3 LEU 43 4.42 1 0.05 0.22 * Upper HB3 LYS+ 20 - HD2 PRO 31 5.08 20 0.49 0.55 +++++++*++++++++++++ Upper HN GLU- 18 - HG2 GLU- 18 3.45 15 0.23 0.28 ++++ ++++ + +++*+ + Upper HN GLN 16 - HG3 GLN 16 3.58 8 0.15 0.36 * ++ +++ + + Upper HA LEU 90 - HG LEU 90 3.05 20 0.22 0.22 ++++++++*+++++++++++ Upper HA GLN 102 - HG2 GLN 102 3.45 7 0.10 0.31 +*++ + + + Upper HG3 LYS+ 32 - HN ALA 33 3.45 8 0.18 0.30 + *++ + ++ + Upper HA LYS+ 20 - HG3 LYS+ 32 4.04 20 0.68 0.78 +++++++++++*++++++++ Upper QD1 ILE 48 - HN THR 61 4.02 16 0.24 0.31 ++++++ +++++ ++++* Upper HA GLU- 45 - QD1 ILE 48 3.43 1 0.02 0.23 * Upper HA ILE 48 - QD1 ILE 48 3.43 18 0.24 0.29 ++++++*+ + +++++++++ Upper HA LEU 43 - QD2 LEU 43 3.83 5 0.07 0.29 * + + ++ Upper HA ILE 100 - QG2 ILE 101 4.42 20 0.54 0.58 +++++++++*++++++++++ Upper QD1 ILE 19 - HZ PHE 21 5.35 18 0.26 0.31 ++++*++++++++ +++ ++ Upper HN LEU 23 - HB3 LEU 23 3.14 19 0.37 0.49 +++++++++++*+++ ++++ Upper HN LEU 17 - HB3 LEU 17 2.99 20 0.48 0.52 *+++++++++++++++++++ Upper HN GLU- 56 - HA GLU- 56 2.40 20 0.22 0.23 +++*++++++++++++++++ Upper HN LYS+ 78 - HB3 LYS+ 78 3.42 1 0.10 0.28 * Upper HN PHE 21 - HB3 PHE 21 3.27 19 0.21 0.27 ++++*++ ++++++++++++ Upper HN LYS+ 108 - HA LYS+ 108 2.40 2 0.03 0.37 + * Upper HB3 PRO 52 - HN LYS+ 55 4.26 20 0.28 0.31 ++*+++++++++++++++++ Upper HA VAL 62 - HN LYS+ 63 3.24 20 0.26 0.27 *+++++++++++++++++++ Upper HN LEU 17 - HN PHE 34 3.83 3 0.14 0.26 + + * Upper HN THR 38 - HN THR 39 4.42 13 0.21 0.24 + + +++*+++ +++ + Upper HN ASP- 28 - HB3 ASP- 28 3.18 16 0.23 0.32 ++++ +++++ ++++++ * Upper HA ARG+ 53 - HN GLU- 54 2.71 20 0.39 0.42 +*++++++++++++++++++ Upper HN TYR 83 - HB2 TYR 83 3.18 1 0.01 0.26 * Upper HN LEU 90 - HN ALA 91 4.11 20 0.35 0.36 ++++++++++++++++*+++ Upper HN LEU 43 - HB2 LEU 43 3.08 5 0.06 0.25 + * + ++ Upper HN GLU- 75 - HA GLU- 75 2.40 20 0.32 0.44 +++++++++++*++++++++ Upper HN LEU 17 - HA PRO 35 3.55 5 0.15 0.30 + +* + + Upper HN LEU 23 - HG LEU 23 3.18 1 0.03 0.31 * Upper HG2 LYS+ 32 - HN ALA 33 3.45 20 0.39 0.91 ++++++++++*+++++++++ Upper HB2 GLU- 18 - HN LYS+ 32 4.14 20 0.32 0.37 ++++++*+++++++++++++ Upper HN ILE 19 - QB ALA 33 4.48 16 0.24 0.29 +++ +++++++ ++++* + Upper QG GLU- 18 - HA LYS+ 32 3.81 3 0.18 0.21 * + + Upper HB2 LYS+ 20 - HD2 PRO 31 5.08 12 0.20 0.27 +++ + + + + ++ ++ * Upper HA VAL 47 - QB TRP 51 3.28 4 0.17 0.22 + + * + Upper QB ARG+ 53 - HN GLU- 54 3.75 6 0.09 0.32 + * + +++ Angle PSI LEU 17 120.50 146.70 5 4.85 5.54 ++ + *+ Angle PSI ILE 19 124.00 152.40 13 5.28 7.12 + + + +*+++++ + + + Angle PSI LYS+ 32 120.00 158.70 13 5.96 10.89 ++ + + ++ + +++* ++ 77 violated distance constraints. 3 violated angle constraints. RMSDs for residues 15..84, 90..104: Average backbone RMSD to mean : 0.65 +/- 0.14 A (0.44..1.00 A) Average heavy atom RMSD to mean : 1.06 +/- 0.13 A (0.87..1.46 A) Pairwise RMSD table [A]: (Mean structure is "selected atoms" fitted for residues 15..84, 90..104.) 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 mean 1 0.58 0.77 0.76 0.65 0.89 0.67 0.58 0.74 1.09 0.98 0.78 0.81 1.08 0.49 0.88 0.87 0.78 0.82 1.02 0.44 2 1.33 0.84 0.70 0.80 0.79 0.87 0.86 0.74 1.03 0.86 0.87 0.72 1.16 0.67 0.81 1.03 0.79 0.69 1.01 0.48 3 1.53 1.54 1.03 0.77 1.19 0.64 0.90 1.02 0.91 0.91 1.18 0.95 1.24 0.85 0.82 0.49 1.01 0.94 1.17 0.64 4 1.36 1.37 1.66 0.87 0.78 0.86 0.92 0.59 1.11 1.16 0.91 0.84 1.17 0.80 1.10 1.19 0.49 0.51 0.68 0.56 5 1.27 1.39 1.50 1.35 1.13 0.71 0.72 0.85 0.91 1.01 0.99 0.79 1.14 0.60 0.85 0.71 0.97 0.80 1.14 0.54 6 1.66 1.43 1.73 1.52 1.71 0.97 1.03 0.81 1.23 1.16 0.87 0.97 1.30 0.91 1.07 1.33 0.82 0.94 1.04 0.75 7 1.45 1.60 1.22 1.56 1.42 1.42 0.67 0.81 0.93 1.10 0.95 0.96 1.15 0.70 0.94 0.69 0.87 0.93 0.97 0.53 8 1.40 1.53 1.68 1.56 1.46 1.60 1.35 0.95 1.24 1.22 0.89 0.97 1.15 0.71 1.10 0.91 0.90 0.99 1.21 0.66 9 1.40 1.39 1.69 1.15 1.47 1.64 1.55 1.61 1.07 1.09 0.95 0.85 1.21 0.76 0.99 1.20 0.71 0.77 0.88 0.59 10 1.57 1.50 1.37 1.61 1.32 1.74 1.51 1.78 1.57 0.76 1.21 0.92 1.48 1.02 0.69 0.97 1.22 1.01 1.15 0.80 11 1.45 1.41 1.44 1.60 1.42 1.71 1.60 1.75 1.62 1.32 1.15 0.80 1.51 0.98 0.55 1.04 1.25 1.03 1.32 0.80 12 1.45 1.47 1.75 1.55 1.48 1.43 1.55 1.39 1.63 1.61 1.65 1.06 1.23 0.80 1.01 1.18 0.95 1.02 1.10 0.73 13 1.43 1.49 1.59 1.42 1.28 1.70 1.56 1.54 1.45 1.46 1.41 1.65 1.30 0.77 0.79 1.08 0.96 0.64 1.13 0.61 14 1.78 1.75 2.00 1.93 1.73 1.91 1.86 1.68 1.96 2.04 2.01 1.71 1.94 1.08 1.39 1.25 1.04 1.20 1.26 1.00 15 1.11 1.45 1.50 1.33 1.28 1.57 1.35 1.41 1.40 1.52 1.42 1.34 1.35 1.62 0.86 0.84 0.85 0.78 1.06 0.46 16 1.40 1.47 1.34 1.61 1.30 1.63 1.50 1.68 1.63 1.28 1.15 1.54 1.29 1.91 1.33 0.91 1.18 0.99 1.28 0.68 17 1.58 1.76 1.09 1.81 1.37 1.85 1.32 1.71 1.84 1.41 1.53 1.72 1.62 1.92 1.51 1.41 1.17 1.06 1.33 0.76 18 1.41 1.46 1.66 0.99 1.51 1.53 1.58 1.50 1.11 1.68 1.70 1.55 1.44 1.84 1.41 1.66 1.76 0.70 0.79 0.63 19 1.42 1.50 1.67 1.18 1.40 1.72 1.70 1.62 1.44 1.60 1.58 1.65 1.24 1.82 1.35 1.42 1.67 1.25 0.90 0.56 20 1.54 1.44 1.79 1.42 1.64 1.50 1.55 1.52 1.55 1.62 1.81 1.56 1.69 1.75 1.58 1.80 1.92 1.44 1.62 0.83 mean 0.93 0.98 1.11 0.98 0.91 1.18 1.02 1.10 1.06 1.08 1.09 1.09 1.01 1.46 0.87 1.00 1.18 1.02 1.04 1.17 Average pairwise RMSD of each structure to the rest of the bundle: Structure 1 (bb ): 0.80 +/- 0.17 A (0.49..1.09 A) (heavy): 1.45 +/- 0.14 A (1.11..1.78 A) Structure 2 (bb ): 0.83 +/- 0.14 A (0.58..1.16 A) (heavy): 1.49 +/- 0.11 A (1.33..1.76 A) Structure 3 (bb ): 0.93 +/- 0.19 A (0.49..1.24 A) (heavy): 1.57 +/- 0.21 A (1.09..2.00 A) Structure 4 (bb ): 0.87 +/- 0.22 A (0.49..1.19 A) (heavy): 1.47 +/- 0.23 A (0.99..1.93 A) Structure 5 (bb ): 0.86 +/- 0.16 A (0.60..1.14 A) (heavy): 1.44 +/- 0.14 A (1.27..1.73 A) Structure 6 (bb ): 1.01 +/- 0.17 A (0.78..1.33 A) (heavy): 1.63 +/- 0.14 A (1.42..1.91 A) Structure 7 (bb ): 0.86 +/- 0.15 A (0.64..1.15 A) (heavy): 1.51 +/- 0.15 A (1.22..1.86 A) Structure 8 (bb ): 0.94 +/- 0.19 A (0.58..1.24 A) (heavy): 1.57 +/- 0.13 A (1.35..1.78 A) Structure 9 (bb ): 0.89 +/- 0.17 A (0.59..1.21 A) (heavy): 1.53 +/- 0.20 A (1.11..1.96 A) Structure 10 (bb ): 1.05 +/- 0.18 A (0.69..1.48 A) (heavy): 1.55 +/- 0.18 A (1.28..2.04 A) Structure 11 (bb ): 1.05 +/- 0.22 A (0.55..1.51 A) (heavy): 1.56 +/- 0.20 A (1.15..2.01 A) Structure 12 (bb ): 1.00 +/- 0.14 A (0.78..1.23 A) (heavy): 1.56 +/- 0.11 A (1.34..1.75 A) Structure 13 (bb ): 0.91 +/- 0.16 A (0.64..1.30 A) (heavy): 1.50 +/- 0.17 A (1.24..1.94 A) Structure 14 (bb ): 1.23 +/- 0.13 A (1.04..1.51 A) (heavy): 1.85 +/- 0.12 A (1.62..2.04 A) Structure 15 (bb ): 0.82 +/- 0.15 A (0.49..1.08 A) (heavy): 1.41 +/- 0.12 A (1.11..1.62 A) Structure 16 (bb ): 0.96 +/- 0.20 A (0.55..1.39 A) (heavy): 1.49 +/- 0.20 A (1.15..1.91 A) Structure 17 (bb ): 1.01 +/- 0.23 A (0.49..1.33 A) (heavy): 1.62 +/- 0.23 A (1.09..1.92 A) Structure 18 (bb ): 0.92 +/- 0.20 A (0.49..1.25 A) (heavy): 1.50 +/- 0.21 A (0.99..1.84 A) Structure 19 (bb ): 0.88 +/- 0.17 A (0.51..1.20 A) (heavy): 1.52 +/- 0.18 A (1.18..1.82 A) Structure 20 (bb ): 1.08 +/- 0.18 A (0.68..1.33 A) (heavy): 1.62 +/- 0.14 A (1.42..1.92 A) Mean structure (bb ): 0.65 +/- 0.14 A (0.44..1.00 A) (heavy): 1.06 +/- 0.13 A (0.87..1.46 A) Average global and local displacements [A]: backbone heavy atoms backbone heavy atoms 10 GLU- : 8.41 9.15 0.00 0.00 11 ALA : 6.87 6.80 0.64 1.22 12 GLU- : 5.39 6.63 0.74 2.89 13 VAL : 4.19 4.39 0.77 1.73 14 HIS+ : 2.90 4.07 0.66 2.12 15 ASN : 1.04 1.92 0.87 2.44 16 GLN : 0.62 1.66 0.13 1.45 17 LEU : 0.40 0.46 0.02 0.13 18 GLU- : 0.29 0.66 0.04 0.57 19 ILE : 0.27 0.32 0.02 0.08 20 LYS+ : 0.26 0.82 0.04 0.79 21 PHE : 0.23 0.76 0.03 0.72 22 ARG+ : 0.32 1.13 0.04 1.05 23 LEU : 0.47 0.87 0.05 0.61 24 THR : 0.65 0.99 0.02 0.64 25 ASP- : 0.70 1.27 0.04 0.99 26 GLY : 0.62 0.65 0.05 0.08 27 SER : 0.49 0.58 0.07 0.28 28 ASP- : 0.39 0.75 0.03 0.56 29 ILE : 0.33 0.34 0.02 0.14 30 GLY : 0.44 0.44 0.03 0.06 31 PRO : 0.40 0.42 0.02 0.03 32 LYS+ : 0.38 0.52 0.02 0.37 33 ALA : 0.44 0.47 0.03 0.06 34 PHE : 0.45 0.88 0.08 0.71 35 PRO : 0.48 0.49 0.05 0.06 36 ASP- : 0.56 0.93 0.06 0.56 37 ALA : 0.49 0.53 0.05 0.14 38 THR : 0.55 0.85 0.09 0.66 39 THR : 0.45 0.59 0.09 0.22 40 VAL : 0.39 0.48 0.04 0.14 41 SER : 0.43 0.70 0.03 0.51 42 ALA : 0.35 0.35 0.02 0.05 43 LEU : 0.29 0.89 0.02 0.85 44 LYS+ : 0.32 0.86 0.01 0.80 45 GLU- : 0.31 0.68 0.02 0.52 46 THR : 0.29 0.37 0.02 0.15 47 VAL : 0.28 0.32 0.02 0.06 48 ILE : 0.30 0.39 0.01 0.18 49 SER : 0.34 0.38 0.03 0.08 50 GLU- : 0.32 1.04 0.02 1.04 51 TRP : 0.30 0.34 0.02 0.14 52 PRO : 0.35 0.35 0.03 0.04 53 ARG+ : 0.42 1.42 0.02 1.40 54 GLU- : 0.48 1.25 0.02 1.10 55 LYS+ : 0.46 1.14 0.03 1.11 56 GLU- : 0.60 0.96 0.04 0.47 57 ASN : 0.57 0.83 0.03 0.51 58 GLY : 0.48 0.49 0.04 0.06 59 PRO : 0.42 0.43 0.09 0.18 60 LYS+ : 0.45 1.10 0.08 0.91 61 THR : 0.44 0.48 0.04 0.13 62 VAL : 0.47 0.54 0.02 0.17 63 LYS+ : 0.49 1.13 0.04 0.95 64 GLU- : 0.49 0.89 0.25 1.01 65 VAL : 0.55 0.70 0.31 0.54 66 LYS+ : 0.39 0.97 0.05 0.79 67 LEU : 0.45 1.04 0.05 0.88 68 ILE : 0.50 0.52 0.04 0.08 69 SER : 0.71 0.79 0.03 0.10 70 ALA : 0.83 0.87 0.02 0.04 71 GLY : 0.71 0.72 0.02 0.04 72 LYS+ : 0.66 1.11 0.05 0.77 73 VAL : 0.68 1.00 0.06 0.60 74 LEU : 0.78 1.00 0.32 0.68 75 GLU- : 0.93 1.52 0.37 0.90 76 ASN : 0.96 1.74 0.10 1.20 77 SER : 0.92 1.12 0.15 0.46 78 LYS+ : 0.63 1.49 0.10 1.28 79 THR : 0.46 0.56 0.05 0.14 80 VAL : 0.46 0.56 0.05 0.19 81 LYS+ : 0.57 1.04 0.06 0.87 82 ASP- : 0.57 1.25 0.11 0.99 83 TYR : 0.71 1.26 0.18 1.27 84 ARG+ : 1.04 2.34 0.37 2.19 85 SER : 2.28 2.73 0.35 0.75 86 PRO : 3.43 3.75 0.35 0.66 87 VAL : 4.33 4.88 0.43 0.80 88 SER : 3.23 3.40 0.49 1.05 89 ASN : 2.34 2.87 0.36 1.33 90 LEU : 1.96 2.90 0.46 1.32 91 ALA : 1.39 1.76 0.55 1.10 92 GLY : 0.96 0.95 0.30 0.36 93 ALA : 0.74 0.77 0.09 0.10 94 VAL : 0.48 0.75 0.09 0.55 95 THR : 0.37 0.42 0.07 0.14 96 THR : 0.36 0.40 0.04 0.10 97 MET : 0.38 0.88 0.05 0.87 98 HIS+ : 0.33 0.73 0.02 0.57 99 VAL : 0.28 0.40 0.04 0.17 100 ILE : 0.27 0.58 0.03 0.48 101 ILE : 0.36 0.43 0.04 0.07 102 GLN : 0.51 1.31 0.07 1.15 103 ALA : 0.76 0.81 0.12 0.17 104 PRO : 1.21 1.35 0.06 0.11 105 VAL : 1.57 1.87 0.21 0.72 106 THR : 2.05 2.57 0.85 2.20 107 GLU- : 3.45 4.75 0.68 2.11 108 LYS+ : 4.76 6.16 0.70 2.48 109 GLU- : 5.90 6.90 0.97 2.80 110 LYS+ : 6.98 8.19 0.00 0.00