Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 3.23 17 16.1 0.43 0 4.6 0.17 0 35.2 3.06 2 3.85 20 17.2 0.48 0 4.5 0.17 1 47.5 5.73 3 3.95 18 17.7 0.56 1 4.8 0.20 0 35.0 2.59 4 4.12 24 18.8 0.46 0 4.7 0.17 1 38.2 7.30 5 4.14 20 17.9 0.65 0 5.3 0.18 0 34.8 2.58 6 4.17 23 18.3 0.44 1 5.5 0.24 2 44.3 6.46 7 4.27 24 17.4 0.68 1 4.5 0.22 0 41.6 3.95 8 4.31 23 18.2 0.43 2 5.5 0.25 1 45.0 7.94 9 4.32 16 17.1 0.79 1 5.5 0.22 1 43.5 5.73 10 4.34 27 19.5 0.38 0 5.2 0.19 1 43.0 6.44 11 4.38 19 18.0 0.56 2 6.3 0.28 1 43.0 5.73 12 4.39 21 18.0 0.44 1 6.0 0.23 3 57.0 5.77 13 4.43 22 18.5 0.61 1 5.8 0.21 1 48.2 5.21 14 4.45 20 17.9 0.60 2 6.1 0.22 0 39.1 3.08 15 4.62 25 18.6 0.61 0 6.0 0.20 0 35.4 3.76 16 4.62 23 18.2 0.71 1 5.4 0.21 0 37.5 3.50 17 4.64 20 18.2 0.60 2 6.4 0.22 1 50.0 5.53 18 4.66 21 19.1 0.51 1 5.9 0.20 2 53.6 5.70 19 4.73 27 19.8 0.50 0 5.6 0.20 1 43.9 5.65 20 4.74 23 18.4 0.58 0 5.7 0.19 1 42.0 6.59 Ave 4.32 22 18.2 0.55 1 5.5 0.21 1 42.9 5.12 +/- 0.35 3 0.8 0.11 1 0.6 0.03 1 6.0 1.55 Min 3.23 16 16.1 0.38 0 4.5 0.17 0 34.8 2.58 Max 4.74 27 19.8 0.79 2 6.4 0.28 3 57.0 7.94 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 VAL 4 - HB VAL 4 3.17 10 0.22 0.33 ++++ +++* + + Upper HN LEU 7 - HB3 LEU 7 3.45 5 0.14 0.28 + + * + + Upper HN ASN 12 - HB2 ASN 12 3.39 1 0.18 0.20 * Upper HB3 GLU- 19 - HN LYS+ 20 3.98 1 0.04 0.20 * Upper HN MET 26 - HB3 MET 26 2.83 12 0.15 0.25 + *+++ +++ ++++ Upper HB2 MET 26 - HN SER 27 3.79 4 0.06 0.24 + * + + Upper HB2 LEU 35 - HN GLU- 36 4.07 2 0.03 0.27 + * Upper HA VAL 39 - HN THR 41 4.04 1 0.09 0.20 * Upper HB2 SER 45 - HN MET 46 3.98 3 0.16 0.24 + + * Upper HA PHE 51 - HN GLY 59 4.10 1 0.08 0.41 * Upper HN ASP- 55 - HA ASP- 55 2.62 7 0.13 0.29 * + +++ + + Upper HN GLN 56 - HB2 GLN 56 3.48 5 0.17 0.68 + * + ++ Upper HN GLN 56 - HB3 GLN 56 3.48 16 0.28 0.51 + +++++ ++++++++* + Upper HB2 LEU 57 - HN LYS+ 58 4.17 1 0.11 0.20 * Upper HA SER 27 - HA2 GLY 64 4.48 6 0.15 0.27 + + +++* Upper HN LYS+ 66 - HB2 LYS+ 66 3.52 1 0.05 0.21 * Upper HA VAL 73 - HN ARG+ 74 3.05 1 0.02 0.46 * Upper HB3 ARG+ 74 - HN ASP- 75 3.11 1 0.02 0.40 * Upper HN ASP- 75 - HB2 ASP- 75 3.24 1 0.06 0.25 * Upper HN ASP- 75 - HB3 ASP- 75 3.24 1 0.04 0.23 * Upper HB ILE 9 - HN THR 10 3.83 1 0.12 0.21 * Upper HN ARG+ 47 - HA ALA 81 4.01 6 0.17 0.25 + + + *+ + Upper HA ASP- 52 - HN GLY 53 3.21 5 0.12 0.44 + ++ * + Upper HA LYS+ 33 - HB2 GLU- 36 3.36 1 0.01 0.20 * Upper HB2 ASP- 70 - HN LEU 71 3.52 3 0.19 0.26 + * + Upper HA LYS+ 33 - HB3 GLU- 36 3.36 4 0.12 0.25 + *+ + Upper HA LYS+ 32 - HB2 LEU 35 3.58 2 0.04 0.45 * + Upper HB2 GLU- 8 - HN ILE 9 4.07 2 0.11 0.25 * + Upper HB3 PRO 23 - HN ALA 24 3.76 1 0.06 0.20 * Upper HB3 PHE 16 - HD3 PRO 17 4.60 5 0.10 0.23 * ++ + + Upper HN GLU- 36 - HG3 GLU- 36 4.32 1 0.02 0.28 * Upper HN GLN 56 - HG3 GLN 56 4.10 1 0.02 0.29 * Upper HA LYS+ 33 - HG2 GLU- 36 4.14 2 0.11 0.38 + * Upper HA LYS+ 33 - HG3 GLU- 36 4.14 1 0.04 0.24 * Upper HN LEU 28 - HG LEU 71 4.85 1 0.06 0.22 * Upper HB3 TYR 5 - QD1 LEU 7 5.94 1 0.03 0.26 * Upper HN HIS 80 - HN ALA 81 4.20 14 0.22 0.31 +++ +++*+ ++ ++++ Upper HA GLN 56 - HN LEU 57 2.59 1 0.06 0.26 * Upper HB2 GLN 56 - HN LEU 57 3.55 1 0.08 0.29 * Upper HB2 ASP- 6 - HN LEU 7 3.92 6 0.10 0.33 +* ++ + + Upper HB3 ASP- 6 - HN LEU 7 3.92 7 0.13 0.34 +* +++ + + Upper HN LYS+ 20 - HB2 LYS+ 20 3.36 1 0.03 0.50 * Upper HN ASP- 6 - HB3 ASP- 6 3.14 10 0.16 0.36 ++ ++++ *+++ Upper HN ASP- 6 - HN TYR 77 4.76 2 0.11 0.25 * + Upper HB VAL 4 - HN TYR 5 3.30 4 0.16 0.22 ++ + * Upper HB THR 62 - HN ASP- 63 3.76 20 0.29 0.79 ++++++++*+++++++++++ Upper HN MET 26 - HN LEU 68 4.04 2 0.07 0.32 *+ Upper HN ALA 24 - HN MET 26 4.01 1 0.12 0.20 * Upper HA THR 11 - HN ALA 13 3.86 4 0.18 0.25 + + *+ Upper HN LYS+ 21 - HB2 LYS+ 21 2.93 1 0.01 0.22 * Upper HN LYS+ 21 - HB3 LYS+ 21 2.93 1 0.03 0.58 * Upper HN ASP- 52 - HB3 ASP- 52 3.33 2 0.04 0.25 + * Upper HN ASP- 52 - HB2 ASP- 52 3.33 2 0.03 0.26 + * Upper HN ASP- 52 - HA LEU 57 3.95 1 0.04 0.50 * Upper HB2 LEU 28 - HN ASN 29 3.45 1 0.15 0.23 * Upper HN ASP- 55 - HB3 ASP- 55 3.48 5 0.13 0.45 ++ * ++ Upper HA2 GLY 53 - HN ASP- 55 4.07 1 0.05 0.44 * Upper HA1 GLY 53 - HN ASP- 55 4.07 1 0.06 0.20 * Upper HB3 LEU 68 - HN LYS+ 69 3.61 1 0.14 0.32 * Upper HB2 ASP- 55 - HN GLN 56 3.83 9 0.25 0.60 ++ ++ + * + ++ Upper HA PHE 51 - HN GLN 56 4.20 10 0.18 0.31 +++ *+ ++ + + + Upper HB2 ARG+ 74 - HN ASP- 75 3.11 7 0.14 0.24 + * + ++ + + Upper HB2 GLU- 36 - HN LEU 37 3.48 1 0.04 0.71 * Upper HA LEU 61 - HN THR 62 2.86 10 0.20 0.32 + ++* + ++ +++ Upper HA THR 41 - HN THR 42 2.74 2 0.06 0.28 + * Upper HB THR 41 - HN THR 42 3.11 2 0.09 0.36 * + Upper HB THR 10 - HN THR 11 2.74 3 0.13 0.25 + + * Upper HB2 ASP- 52 - HN GLY 53 3.14 5 0.12 0.28 ++ + + * Upper HN GLY 53 - HN ASP- 54 3.27 1 0.03 0.29 * Upper HN SER 27 - HN LEU 28 4.14 6 0.17 0.23 + +++ * + Upper HN ASP- 54 - HB3 ASP- 54 3.45 11 0.22 0.38 + ++ ++*+++++ Upper HN SER 45 - HN VAL 84 4.88 1 0.08 0.26 * Upper HN ASP- 54 - HN GLN 56 3.30 6 0.11 0.24 * + ++ ++ Upper HN GLY 59 - HN GLU- 60 4.10 20 0.26 0.31 +++++++++*++++++++++ Upper HN LEU 50 - HN LEU 61 3.89 2 0.11 0.35 +* Upper HN LYS+ 69 - HN GLY 72 4.72 1 0.07 0.22 * Upper HN SER 67 - HN LYS+ 69 4.38 1 0.12 0.21 * Upper HN VAL 82 - HN ASP- 83 4.07 2 0.16 0.22 + * Upper HN PHE 51 - HA LEU 57 4.85 2 0.06 0.21 * + Upper HB3 LEU 57 - HN LYS+ 58 4.17 2 0.13 0.30 + * Upper HN LYS+ 69 - HB3 ASP- 70 4.97 3 0.17 0.22 *+ + Upper HB3 ARG+ 74 - HN TYR 77 4.85 1 0.15 0.56 * Upper QA GLY 87 - HN ASP- 90 6.22 2 0.03 0.26 * + Upper HA LYS+ 34 - HN LEU 37 3.08 8 0.20 0.28 ++ + ++ * ++ Upper HN THR 11 - HB THR 11 3.21 17 0.24 0.36 + ++++++ +++++*+++ + Upper HA ASP- 70 - HN LEU 71 3.27 20 0.25 0.27 ++++++++++*+++++++++ Upper HN ARG+ 74 - HN ASP- 75 4.32 3 0.12 0.33 * ++ Upper HA ALA 24 - HN GLY 25 3.11 8 0.20 0.30 + + + + +++* Upper HB3 ASP- 55 - HN GLN 56 3.83 5 0.14 0.40 ++ + + * Upper HN ASP- 52 - HN GLN 56 2.40 14 0.27 0.46 + ++++++ + ++ ++ *+ Upper HB3 PRO 23 - HN MET 26 3.73 20 0.35 0.49 +++++++++++++++++++* Upper HN LEU 68 - HG LEU 68 2.99 2 0.04 0.32 + * Upper HN GLN 56 - HG2 GLN 56 4.10 1 0.01 0.28 * Upper HB2 TYR 5 - HN TYR 22 5.50 3 0.05 0.32 + * + Upper QB ASP- 54 - HN GLN 56 4.61 10 0.17 0.41 ++ +* ++ + ++ + Upper HN GLN 56 - QB GLN 56 3.23 5 0.07 0.28 + + + +* Upper HN GLN 56 - QG GLN 56 3.47 1 0.02 0.44 * Angle PHI TYR 5 236.00 262.00 1 2.42 6.46 * Angle PSI TYR 5 112.00 140.00 4 1.96 6.59 + + + * Angle PSI ASP- 6 116.00 142.00 2 1.13 5.58 *+ Angle PHI LEU 7 235.00 273.00 1 1.71 5.44 * Angle PSI LEU 7 129.00 155.00 2 1.80 5.70 +* Angle PSI GLN 49 140.00 160.00 1 1.82 5.29 * Angle PHI LEU 57 278.00 302.00 4 2.08 7.94 + * ++ Angle PHI LYS+ 58 256.00 276.00 1 0.67 5.65 * Angle PHI THR 62 83.00 103.00 1 0.33 5.73 * 97 violated distance constraints. 9 violated angle constraints. RMSDs for residues 1..85: Average backbone RMSD to mean : 0.57 +/- 0.13 A (0.39..0.97 A) Average heavy atom RMSD to mean : 1.18 +/- 0.10 A (1.03..1.49 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 0.73 0.70 0.57 0.75 0.52 0.99 0.53 0.77 0.69 0.86 0.71 0.66 0.86 0.60 0.76 0.80 0.98 1.25 0.76 0.49 2 1.46 0.54 0.82 0.74 0.79 0.85 0.77 0.73 0.81 0.92 1.04 0.80 0.71 0.75 0.77 0.73 0.87 1.01 0.45 0.50 3 1.70 1.45 0.80 0.65 0.86 0.89 0.75 0.58 0.86 0.89 0.97 0.78 0.77 0.70 0.69 0.76 0.86 1.04 0.60 0.49 4 1.71 1.92 1.71 0.82 0.62 1.08 0.56 0.81 0.56 0.68 0.72 0.82 0.87 0.65 0.79 0.79 1.01 1.34 0.81 0.54 5 1.74 1.84 1.66 1.67 0.88 0.74 0.70 0.78 0.86 0.94 0.90 0.60 0.73 0.58 0.60 0.70 0.61 1.03 0.69 0.46 6 1.34 1.66 1.75 1.57 1.89 1.12 0.67 0.89 0.65 0.83 0.73 0.80 0.91 0.64 0.89 0.89 1.02 1.38 0.79 0.60 7 1.85 1.72 1.67 1.97 1.67 1.99 0.92 0.97 1.09 1.16 1.25 0.80 0.89 0.81 0.70 0.96 0.80 0.93 0.87 0.72 8 1.20 1.64 1.91 1.60 1.64 1.47 1.91 0.80 0.64 0.86 0.84 0.80 0.81 0.64 0.71 0.60 0.84 1.22 0.76 0.47 9 1.57 1.41 1.49 1.82 1.71 1.81 1.82 1.62 0.93 0.85 0.88 0.74 0.97 0.65 0.70 0.80 0.92 1.09 0.75 0.56 10 1.37 1.72 1.84 1.35 1.83 1.41 1.96 1.37 1.73 0.84 0.91 0.98 0.90 0.72 0.89 0.84 1.03 1.36 0.80 0.63 11 1.68 1.83 1.68 1.49 1.70 1.75 1.89 1.61 1.69 1.65 0.64 0.96 0.90 0.74 0.85 0.82 1.06 1.30 0.91 0.66 12 1.46 1.88 2.00 1.74 1.88 1.57 2.20 1.55 1.68 1.65 1.50 0.82 1.08 0.67 0.89 0.91 1.10 1.39 0.99 0.70 13 1.50 1.71 1.75 1.81 1.54 1.64 1.71 1.73 1.73 1.71 1.93 1.68 0.83 0.52 0.68 0.85 0.82 1.07 0.76 0.52 14 1.58 1.56 1.60 1.73 1.60 1.76 1.71 1.69 1.76 1.81 1.55 1.91 1.76 0.88 0.94 0.68 0.88 1.05 0.69 0.61 15 1.29 1.55 1.77 1.87 1.57 1.62 1.70 1.47 1.60 1.58 1.78 1.60 1.30 1.74 0.50 0.77 0.74 1.14 0.73 0.39 16 1.73 1.73 1.68 1.68 1.33 1.93 1.50 1.72 1.63 1.81 1.62 1.78 1.58 1.68 1.49 0.76 0.60 1.01 0.84 0.48 17 1.62 1.60 1.64 1.63 1.72 1.61 1.84 1.56 1.57 1.53 1.55 1.61 1.68 1.56 1.72 1.74 0.76 1.11 0.67 0.53 18 1.80 1.77 1.81 1.96 1.65 1.74 1.64 1.82 1.80 1.86 2.04 2.00 1.39 1.76 1.50 1.58 1.63 1.06 0.83 0.65 19 2.07 1.75 1.77 2.12 1.80 2.31 1.64 2.07 1.71 2.17 2.00 2.22 1.97 1.79 2.01 1.55 1.97 1.97 1.05 0.97 20 1.71 1.36 1.46 1.93 1.81 1.71 1.83 1.87 1.61 1.74 1.88 1.95 1.67 1.66 1.73 1.91 1.39 1.63 1.94 0.49 mean 1.03 1.12 1.17 1.24 1.16 1.19 1.30 1.11 1.12 1.16 1.21 1.29 1.13 1.16 1.07 1.12 1.08 1.25 1.49 1.21 Average pairwise RMSD of each structure to the rest of the bundle: Structure 1 (bb ): 0.76 +/- 0.18 A (0.52..1.25 A) (heavy): 1.60 +/- 0.22 A (1.20..2.07 A) Structure 2 (bb ): 0.78 +/- 0.14 A (0.45..1.04 A) (heavy): 1.66 +/- 0.16 A (1.36..1.92 A) Structure 3 (bb ): 0.77 +/- 0.13 A (0.54..1.04 A) (heavy): 1.70 +/- 0.14 A (1.45..2.00 A) Structure 4 (bb ): 0.80 +/- 0.19 A (0.56..1.34 A) (heavy): 1.75 +/- 0.19 A (1.35..2.12 A) Structure 5 (bb ): 0.75 +/- 0.13 A (0.58..1.03 A) (heavy): 1.70 +/- 0.14 A (1.33..1.89 A) Structure 6 (bb ): 0.84 +/- 0.20 A (0.52..1.38 A) (heavy): 1.71 +/- 0.22 A (1.34..2.31 A) Structure 7 (bb ): 0.94 +/- 0.15 A (0.70..1.25 A) (heavy): 1.80 +/- 0.17 A (1.50..2.20 A) Structure 8 (bb ): 0.76 +/- 0.15 A (0.53..1.22 A) (heavy): 1.66 +/- 0.21 A (1.20..2.07 A) Structure 9 (bb ): 0.82 +/- 0.12 A (0.58..1.09 A) (heavy): 1.67 +/- 0.11 A (1.41..1.82 A) Structure 10 (bb ): 0.86 +/- 0.18 A (0.56..1.36 A) (heavy): 1.69 +/- 0.22 A (1.35..2.17 A) Structure 11 (bb ): 0.89 +/- 0.15 A (0.64..1.30 A) (heavy): 1.73 +/- 0.16 A (1.49..2.04 A) Structure 12 (bb ): 0.92 +/- 0.20 A (0.64..1.39 A) (heavy): 1.78 +/- 0.23 A (1.46..2.22 A) Structure 13 (bb ): 0.79 +/- 0.13 A (0.52..1.07 A) (heavy): 1.67 +/- 0.16 A (1.30..1.97 A) Structure 14 (bb ): 0.86 +/- 0.11 A (0.68..1.08 A) (heavy): 1.69 +/- 0.10 A (1.55..1.91 A) Structure 15 (bb ): 0.71 +/- 0.14 A (0.50..1.14 A) (heavy): 1.63 +/- 0.18 A (1.29..2.01 A) Structure 16 (bb ): 0.77 +/- 0.13 A (0.50..1.01 A) (heavy): 1.67 +/- 0.15 A (1.33..1.93 A) Structure 17 (bb ): 0.80 +/- 0.12 A (0.60..1.11 A) (heavy): 1.64 +/- 0.12 A (1.39..1.97 A) Structure 18 (bb ): 0.88 +/- 0.15 A (0.60..1.10 A) (heavy): 1.76 +/- 0.17 A (1.39..2.04 A) Structure 19 (bb ): 1.15 +/- 0.15 A (0.93..1.39 A) (heavy): 1.94 +/- 0.20 A (1.55..2.31 A) Structure 20 (bb ): 0.78 +/- 0.14 A (0.45..1.05 A) (heavy): 1.73 +/- 0.18 A (1.36..1.95 A) Mean structure (bb ): 0.57 +/- 0.13 A (0.39..0.97 A) (heavy): 1.18 +/- 0.10 A (1.03..1.49 A) Average global and local displacements [A]: backbone heavy atoms backbone heavy atoms 1 MET : 1.28 2.22 0.00 0.00 2 THR : 0.70 1.16 0.14 0.79 3 GLU- : 0.39 0.93 0.13 0.67 4 VAL : 0.26 0.29 0.06 0.12 5 TYR : 0.24 2.50 0.05 2.46 6 ASP- : 0.29 1.23 0.09 1.18 7 LEU : 0.31 1.06 0.05 1.05 8 GLU- : 0.30 0.89 0.05 0.68 9 ILE : 0.28 0.47 0.05 0.30 10 THR : 0.24 0.56 0.07 0.51 11 THR : 0.26 0.29 0.03 0.07 12 ASN : 0.37 0.69 0.02 0.57 13 ALA : 0.47 0.50 0.02 0.04 14 THR : 0.45 0.52 0.04 0.21 15 ASP- : 0.46 0.91 0.05 0.72 16 PHE : 0.43 2.19 0.06 2.14 17 PRO : 0.36 0.39 0.02 0.02 18 MET : 0.35 0.83 0.02 0.65 19 GLU- : 0.38 0.90 0.03 0.72 20 LYS+ : 0.34 0.96 0.06 0.88 21 LYS+ : 0.32 0.87 0.06 0.80 22 TYR : 0.34 0.96 0.06 0.75 23 PRO : 0.34 0.37 0.03 0.04 24 ALA : 0.39 0.44 0.05 0.08 25 GLY : 0.32 0.35 0.03 0.04 26 MET : 0.40 0.96 0.09 0.64 27 SER : 0.35 0.40 0.05 0.09 28 LEU : 0.39 0.51 0.02 0.22 29 ASN : 0.41 0.71 0.02 0.54 30 ASP- : 0.41 0.76 0.03 0.58 31 LEU : 0.45 0.76 0.03 0.56 32 LYS+ : 0.44 1.15 0.03 1.23 33 LYS+ : 0.38 0.63 0.02 0.43 34 LYS+ : 0.39 1.01 0.01 0.84 35 LEU : 0.41 0.67 0.01 0.40 36 GLU- : 0.38 1.29 0.02 1.19 37 LEU : 0.39 0.47 0.03 0.13 38 VAL : 0.41 0.45 0.03 0.08 39 VAL : 0.41 0.44 0.03 0.16 40 GLY : 0.45 0.47 0.03 0.06 41 THR : 0.44 0.58 0.07 0.30 42 THR : 0.45 0.52 0.08 0.19 43 VAL : 0.54 0.67 0.04 0.16 44 ASP- : 0.56 0.90 0.04 0.57 45 SER : 0.48 0.53 0.04 0.08 46 MET : 0.42 0.79 0.06 0.68 47 ARG+ : 0.32 1.41 0.06 1.27 48 ILE : 0.28 0.54 0.04 0.45 49 GLN : 0.24 0.81 0.03 0.76 50 LEU : 0.26 0.58 0.06 0.48 51 PHE : 0.36 1.07 0.11 0.87 52 ASP- : 0.53 1.39 0.38 1.27 53 GLY : 1.25 1.32 0.43 0.59 54 ASP- : 1.90 3.24 0.78 1.74 55 ASP- : 1.73 3.09 0.69 2.00 56 GLN : 0.71 1.83 0.36 1.21 57 LEU : 0.65 0.91 0.12 0.47 58 LYS+ : 0.54 1.07 0.08 0.66 59 GLY : 0.59 0.59 0.15 0.22 60 GLU- : 0.51 1.16 0.09 1.06 61 LEU : 0.52 1.27 0.10 0.94 62 THR : 0.78 1.04 0.08 0.24 63 ASP- : 0.50 0.92 0.26 0.84 64 GLY : 0.46 0.47 0.14 0.16 65 ALA : 0.47 0.52 0.04 0.07 66 LYS+ : 0.38 1.03 0.06 0.97 67 SER : 0.34 0.41 0.05 0.12 68 LEU : 0.34 0.60 0.02 0.33 69 LYS+ : 0.37 1.00 0.02 0.94 70 ASP- : 0.42 0.80 0.02 0.56 71 LEU : 0.42 0.50 0.02 0.14 72 GLY : 0.44 0.46 0.06 0.14 73 VAL : 0.39 0.64 0.19 0.49 74 ARG+ : 0.34 1.60 0.14 1.51 75 ASP- : 0.30 1.16 0.06 1.11 76 GLY : 0.27 0.27 0.02 0.04 77 TYR : 0.24 0.75 0.03 0.70 78 ARG+ : 0.24 2.11 0.05 2.10 79 ILE : 0.23 0.40 0.04 0.32 80 HIS : 0.21 0.25 0.05 0.11 81 ALA : 0.22 0.25 0.05 0.08 82 VAL : 0.28 0.38 0.03 0.18 83 ASP- : 0.39 1.22 0.04 1.09 84 VAL : 0.49 0.72 0.04 0.46 85 THR : 0.62 0.69 0.03 0.11 86 GLY : 0.80 0.86 0.07 0.10 87 GLY : 1.14 1.41 0.24 0.67 88 ASN : 1.40 1.86 0.58 1.43 89 GLU- : 2.81 3.73 0.66 1.82 90 ASP- : 4.36 5.12 0.00 0.00