Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 46.82 64 48.1 1.16 21 30.1 0.54 46 631.9 26.57 2 48.04 59 45.9 1.22 31 35.8 0.44 42 610.2 32.59 3 50.19 71 50.7 1.28 43 37.0 0.45 41 589.6 24.51 4 50.70 57 47.4 1.20 38 35.7 0.60 49 622.1 34.50 5 52.51 70 52.2 1.04 40 36.0 0.54 42 629.1 38.71 6 56.99 66 53.3 1.13 44 35.5 0.51 47 737.3 37.51 7 57.32 71 51.0 1.23 37 37.2 0.73 49 744.2 41.42 8 58.81 75 51.2 1.36 53 45.5 0.56 42 619.3 33.46 9 61.26 84 58.9 1.53 52 41.6 0.57 44 633.0 31.82 10 62.33 72 52.4 1.36 47 37.5 0.49 49 751.7 59.85 11 63.16 70 57.7 1.30 49 41.4 0.62 46 670.5 30.17 12 64.69 70 58.2 1.52 44 40.8 0.58 46 649.5 33.87 13 66.79 72 55.5 1.65 53 41.5 0.50 47 719.7 46.40 14 67.10 71 59.9 1.25 48 42.8 0.58 36 633.9 33.88 15 67.92 85 62.5 1.58 49 45.9 0.93 43 613.6 28.58 16 68.86 75 57.2 1.49 58 47.1 0.64 49 764.3 37.66 17 68.88 81 61.2 1.53 52 44.5 0.66 49 719.1 36.02 18 74.99 86 66.7 1.29 70 52.5 0.67 53 671.0 23.12 19 75.93 85 65.4 1.53 53 46.4 0.71 55 723.8 37.72 20 75.95 82 61.3 1.51 63 51.0 0.65 46 690.1 39.44 Ave 61.96 73 55.8 1.36 47 41.3 0.60 46 671.2 35.39 +/- 8.90 8 5.8 0.17 11 5.6 0.11 4 53.9 7.90 Min 46.82 57 45.9 1.04 21 30.1 0.44 36 589.6 23.12 Max 75.95 86 66.7 1.65 70 52.5 0.93 55 764.3 59.85 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 0.30 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper HA VAL 73 - HB3 GLU- 75 4.21 18 0.68 1.33 +++++++++++++++++ * # peak 301 # SUP 2.66 HA VAL 73 - HB3 PRO 104 # SUP 0.37 HA VAL 73 - HG2 GLN 102 # SUP 0.75 Upper QG2 VAL 87 - HA ASN 89 4.77 13 0.50 1.18 ++++++ + +++++* # peak 372 # SUP 6.90 HA ASN 89 - QG2 VAL 105 # SUP 3.27 Upper HA VAL 73 - HG LEU 74 4.16 17 0.77 1.49 ++++ +++++++++*+++ # peak 425 # SUP 5.60 HA VAL 73 - QG2 ILE 101 # SUP 0.75 QD1 ILE 68 - HA VAL 73 # SUP 0.02 Upper HA VAL 73 - HA VAL 94 3.81 14 0.38 0.92 +++++++ * + ++ +++ # peak 526 # SUP 3.37 Upper HA ASN 89 - QB ALA 103 3.92 6 0.26 1.00 ++ + + + * # peak 587 # SUP 6.37 Upper HA ASN 89 - QB ALA 103 3.74 11 0.36 0.97 +++ + + + ++++ * # peak 719 # SUP 6.37 HA LEU 17 - QB ALA 103 # SUP 0.31 Upper HA GLU- 18 - QG2 ILE 101 5.04 7 0.23 0.90 *+ ++ ++ + # peak 759 # SUP 1.33 HA ASN 89 - QG2 ILE 101 # SUP 1.60 HA GLU- 75 - QG2 ILE 101 # SUP 1.60 Upper HB VAL 99 - QG2 ILE 100 3.92 8 0.31 1.53 + + + + ++ *+ # peak 781 # SUP 0.94 HB3 MET 97 - QG2 ILE 100 # SUP 0.36 QG2 ILE 100 - HB3 MET 126 # SUP 0.02 HB3 ARG+ 22 - QG2 ILE 100 # SUP 0.02 Upper HA GLU- 56 - HA1 GLY 58 5.28 11 0.33 0.95 * + ++++++ + ++ # peak 972 # SUP 3.08 Upper HA SER 85 - HB2 PRO 86 4.06 12 0.30 0.52 + + ++++++ ++ *+ # peak 991 # SUP 3.50 HA SER 85 - HB3 PRO 86 # SUP 4.47 HA GLU- 56 - HA1 GLY 58 # SUP 3.08 Upper HA LYS+ 44 - HB ILE 68 5.17 6 0.23 0.99 + + * + + + # peak 1094 # SUP 4.04 HA LYS+ 44 - HB3 LYS+ 66 # SUP 0.16 Upper HA GLU- 18 - HG LEU 74 4.60 12 0.61 1.36 + ++ ++*+ ++++ + # peak 1096 # SUP 3.03 HA GLU- 18 - QG2 ILE 101 # SUP 1.33 HA GLU- 18 - QD1 ILE 68 # SUP 0.23 Upper QD1 ILE 19 - HB3 MET 97 3.70 12 0.40 1.07 ++ + +++ ++++ +* # peak 1114 # SUP 2.50 QD1 ILE 19 - HB VAL 99 # SUP 1.18 Upper HG LEU 17 - HA LEU 90 3.92 7 0.19 0.89 + * + ++++ # peak 1152 # SUP 3.25 HB3 LEU 17 - HA LEU 90 # SUP 3.18 Upper HA ASN 89 - HA ALA 91 5.50 20 0.57 0.78 +++++++++++*++++++++ # peak 1246 # SUP 2.64 HA ALA 91 - HA ALA 93 # SUP 0.02 Upper QD1 ILE 101 - HA GLN 102 4.56 11 0.35 0.92 + ++++* ++++ + # peak 1262 # SUP 3.97 HA HIS+ 98 - QD1 ILE 101 # SUP 0.30 Upper HG LEU 74 - QD1 ILE 101 4.38 9 0.22 0.64 * + ++ ++ +++ # peak 1273 # SUP 5.05 HB3 LEU 74 - QD1 ILE 101 # SUP 0.97 Upper HD3 PRO 86 - HA ASN 89 3.95 13 0.37 0.87 ++ ++++ + *+++++ # peak 1287 # SUP 2.54 Upper HA ASN 89 - HD3 PRO 104 4.21 6 0.15 0.61 + *++ + + # peak 1320 # SUP 5.07 Upper HB3 LEU 67 - HB ILE 68 4.64 11 0.37 0.86 + +++ + + + +*+ + # peak 1365 # SUP 4.18 Upper HB2 LEU 17 - HB3 GLU- 18 4.01 16 0.54 1.01 ++ ++ ++ +*++++ ++++ # peak 1396 # SUP 4.07 HB2 LEU 17 - HB2 ARG+ 84 # SUP 0.43 Upper HG3 LYS+ 44 - HA1 GLY 58 5.22 6 0.20 1.05 + + ++ * + # peak 1443 # SUP 0.91 HA1 GLY 58 - HG3 LYS+ 66 # SUP 0.56 Upper HB3 LYS+ 44 - HA1 GLY 58 5.06 7 0.25 0.82 +++ +* + + # peak 1470 # SUP 0.92 HB3 LYS+ 44 - HA2 GLY 58 # SUP 0.74 Upper HG2 GLU- 18 - HA ASN 89 5.11 9 0.26 0.68 ++ + +++ * ++ # peak 1818 # SUP 6.21 Upper HA ILE 48 - HG3 GLU- 56 5.16 14 0.41 0.97 + ++ *++++++ ++++ # peak 1819 # SUP 2.00 HA LYS+ 44 - HG3 GLU- 56 # SUP 0.88 Upper HG3 GLU- 45 - HG3 GLU- 56 3.72 14 0.46 1.30 + + +++++* + ++++ + # peak 1838 # SUP 0.78 HG2 GLU- 45 - HG3 GLU- 56 # SUP 0.85 HG3 GLU- 45 - HA1 GLY 58 # SUP 0.52 HG2 GLU- 45 - HA1 GLY 58 # SUP 1.06 HB3 LEU 43 - HG3 GLU- 45 # SUP 1.22 HB3 LEU 43 - HG2 GLU- 45 # SUP 1.16 Upper HG3 GLU- 45 - QG2 VAL 62 4.70 6 0.22 0.98 + ++* + + # peak 1847 # SUP 1.95 HG2 GLU- 45 - QG2 VAL 62 # SUP 1.89 HG3 GLU- 45 - HG12 ILE 68 # SUP 1.05 QG2 ILE 29 - HG3 GLU- 45 # SUP 0.36 HG2 GLU- 45 - HG12 ILE 68 # SUP 0.55 QG2 ILE 29 - HG2 GLU- 45 # SUP 0.44 Upper HN LYS+ 60 - HB2 LYS+ 66 5.02 9 0.30 0.94 + +++ +*++ + # peak 1911 # SUP 1.17 HN ASN 57 - HB2 LYS+ 66 # SUP 0.75 Upper HB3 LYS+ 72 - HN VAL 94 4.55 6 0.20 1.18 ++ +* + + # peak 1924 # SUP 4.81 Upper HB3 LYS+ 72 - QG1 VAL 94 4.20 15 0.73 1.28 +++++++ +++ +*+ ++ # peak 1934 # SUP 4.12 HB3 LYS+ 72 - HG LEU 74 # SUP 2.23 HB3 LYS+ 72 - QB ALA 93 # SUP 1.13 Upper HB VAL 87 - HB2 SER 88 4.65 8 0.25 0.69 + ++ * + ++ + # peak 2031 # SUP 2.60 HB VAL 87 - HA ASN 89 # SUP 3.62 Upper HA ASN 89 - HB3 PRO 104 4.19 9 0.36 1.01 + *+ + + ++ ++ # peak 2066 # SUP 7.01 HA SER 88 - HB3 PRO 104 # SUP 1.95 HA VAL 73 - HB3 PRO 104 # SUP 0.37 Upper HB3 GLU- 107 - HB2 LYS+ 108 2.40 14 0.45 0.69 ++ +++ ++*++ ++ + + # peak 2222 # SUP 2.03 HB3 GLU- 107 - HB3 GLU- 109 # SUP 0.48 Upper HG3 GLU- 45 - HB2 GLU- 50 4.99 7 0.35 1.44 +++ + ++ * # peak 2315 # SUP 1.68 HG2 GLU- 45 - HB2 GLU- 50 # SUP 1.41 HB2 GLU- 50 - HA1 GLY 58 # SUP 0.02 Upper HB2 LEU 67 - HG13 ILE 68 5.01 6 0.24 0.72 ++ + * + + # peak 2466 # SUP 4.21 HB2 LEU 67 - HG12 ILE 68 # SUP 4.00 HD3 LYS+ 32 - HG13 ILE 68 # SUP 0.31 Upper HG12 ILE 19 - HB VAL 99 4.32 7 0.30 1.65 + + *+++ + # peak 2495 # SUP 0.81 HG12 ILE 19 - HB3 MET 97 # SUP 1.25 Upper HG3 ARG+ 84 - HA SER 85 5.02 16 0.51 1.30 + ++++ ++++ +++*++ + # peak 2535 # SUP 1.06 HG3 ARG+ 84 - HA ASN 89 # SUP 1.62 Upper HA ASN 89 - HG LEU 90 5.26 6 0.18 0.85 + + + + *+ # peak 2540 # SUP 3.69 HG LEU 74 - HA ASN 89 # SUP 0.75 Upper HG LEU 74 - HB3 MET 97 3.62 14 0.54 1.16 +++ + ++*++ +++++ # peak 2571 # SUP 4.00 HG LEU 74 - HB VAL 99 # SUP 5.43 Upper HG LEU 74 - QD1 ILE 101 4.76 9 0.26 0.77 + + +++ ++* + # peak 2585 # SUP 5.05 Upper QG2 ILE 48 - HA VAL 62 4.61 7 0.27 0.82 + +++ + +* # peak 2705 # SUP 0.75 HA VAL 62 - HG3 LYS+ 66 # SUP 0.59 HG3 LYS+ 44 - HA VAL 62 # SUP 0.75 Upper QG1 VAL 99 - HG2 GLN 102 4.59 10 0.28 0.63 *+ ++ ++ +++ + # peak 2988 # SUP 1.06 HB3 GLU- 75 - QG1 VAL 99 # SUP 0.41 Upper HG LEU 17 - QD2 LEU 90 3.74 10 0.26 0.56 + * +++ + +++ + # peak 3388 # SUP 2.63 HB3 LEU 17 - QD2 LEU 90 # SUP 0.94 Upper HG12 ILE 19 - HB THR 95 5.50 7 0.39 1.52 + *+ ++ ++ # peak 3470 # SUP 0.97 HG12 ILE 19 - HA ASN 89 # SUP 4.02 Upper HG13 ILE 19 - HA ASN 89 5.50 11 0.44 1.06 + + + ++ ++ + *++ # peak 3475 # SUP 3.33 HG13 ILE 19 - HA VAL 73 # SUP 0.36 Upper HG13 ILE 19 - HN ILE 68 5.45 19 0.65 1.16 ++++++++++++++ ++*++ # peak 3489 # SUP 2.50 Upper HG2 GLU- 18 - HG LEU 74 5.22 7 0.36 1.41 +++ + +* + # peak 3639 # SUP 4.54 Upper HA LYS+ 44 - HG3 GLU- 45 5.43 10 0.40 0.98 ++ *+ + ++ +++ # peak 3645 # SUP 4.28 HA LYS+ 44 - HG2 GLU- 45 # SUP 4.44 Upper HN LEU 43 - HB ILE 68 5.50 12 0.42 0.99 +++ ++++ + + + +* # peak 3695 # SUP 3.78 HB ILE 68 - HN LYS+ 72 # SUP 0.19 Upper HB3 LEU 43 - HB3 SER 69 5.50 10 0.28 0.79 + + + ++ *++ ++ # peak 3726 # SUP 1.38 HB2 LEU 43 - HB3 SER 69 # SUP 2.09 Upper HA ASN 89 - HD2 PRO 104 2.48 10 0.32 1.26 + ++ +++ * + ++ # peak 3765 # SUP 6.81 Upper QD1 ILE 19 - HB3 PHE 34 5.50 6 0.17 0.51 * ++ + + + # peak 3792 # SUP 1.24 QD1 ILE 19 - HA ASN 89 # SUP 4.20 QD1 ILE 19 - HD3 PRO 35 # SUP 0.68 HB3 PHE 34 - QD1 ILE 68 # SUP 0.11 Upper HB2 GLU- 18 - QG1 VAL 94 4.04 7 0.29 1.55 + +++ * + + # peak 3849 # SUP 1.45 HB3 GLU- 75 - QG1 VAL 94 # SUP 0.53 Upper QD1 ILE 19 - QD PHE 34 4.04 10 0.38 1.14 + ++ +++++ * + # peak 291 # SUP 0.02 HG12 ILE 19 - QD PHE 34 # SUP 0.02 QD PHE 34 - HG LEU 67 # SUP 0.02 QD PHE 34 - QG2 VAL 94 # SUP 0.02 Upper QG1 VAL 47 - HE3 TRP 51 4.05 6 0.27 1.25 + + * ++ + # peak 380 # SUP 2.23 QG2 VAL 47 - HE3 TRP 51 # SUP 1.67 Upper HD1 TRP 51 - HD2 PRO 52 4.72 7 0.21 0.82 + + + + ++ * # peak 525 # SUP 3.11 HA ILE 48 - HD1 TRP 51 # SUP 0.69 Upper HA TYR 83 - QE TYR 83 4.96 8 0.24 0.71 + + +* + + ++ # peak 547 # SUP 2.18 QE TYR 83 - HA ASN 89 # SUP 0.33 Upper QD TYR 83 - HG3 ARG+ 84 4.64 7 0.23 0.59 +++* + + + # peak 551 # SUP 0.02 QD TYR 83 - HB VAL 99 # SUP 0.02 QD TYR 83 - HB3 MET 126 # SUP 0.02 QD TYR 83 - HB3 MET 97 # SUP 0.02 Upper QG2 ILE 19 - QD PHE 34 5.08 6 0.16 0.64 + + ++ *+ # peak 563 # SUP 1.97 Upper QE PHE 21 - QG2 THR 46 4.78 6 0.21 0.66 ++ + * + + # peak 570 # SUP 0.56 HG3 LYS+ 20 - QE PHE 21 # SUP 1.65 QE PHE 21 - HG LEU 74 # SUP 1.26 Upper HA ASN 89 - HN GLN 102 4.66 11 0.41 1.07 + +* + +++ +++ + # peak 45 # SUP 3.62 HA GLU- 18 - HN GLN 102 # SUP 1.99 Upper HG LEU 74 - HN ILE 101 4.56 8 0.21 0.82 + + +* +++ + # peak 54 # SUP 4.14 HB3 LEU 74 - HN ILE 101 # SUP 0.75 Upper HN MET 97 - HA HIS+ 98 4.13 20 0.81 1.04 +++++++++++++++++*++ # peak 71 # SUP 1.57 Upper HA VAL 73 - HN THR 95 4.53 17 0.62 1.12 ++++++++ *++ +++ +++ # peak 97 # SUP 6.35 Upper HB3 LYS+ 72 - HN THR 95 4.86 8 0.18 0.62 ++ + * +++ + # peak 98 # SUP 4.57 HB VAL 73 - HN THR 95 # SUP 2.59 HD3 LYS+ 72 - HN THR 95 # SUP 1.55 Upper HN ARG+ 22 - HG12 ILE 29 4.58 7 0.23 0.61 ++ + * ++ + # peak 135 # SUP 2.94 HN ARG+ 22 - QG2 ILE 29 # SUP 3.79 Upper HN TRP 51 - HD2 PRO 52 3.65 11 0.33 0.80 + ++ *++++ +++ # peak 170 # SUP 3.13 HA ILE 48 - HN TRP 51 # SUP 1.66 Upper HN THR 96 - HB3 MET 97 5.08 11 0.35 0.84 ++ + +++ * ++ + + # peak 191 # SUP 2.47 HN LEU 17 - HG3 ARG+ 84 # SUP 1.72 Upper HN GLU- 56 - HA1 GLY 58 4.40 11 0.39 1.16 + ++++*+ + + ++ # peak 228 # SUP 2.07 Upper HN GLU- 18 - HA ASN 89 4.66 13 0.46 1.17 +++++ ++ +*+ ++ + # peak 246 # SUP 7.58 Upper HA VAL 73 - HN ALA 93 4.80 12 0.47 1.53 +++ +++ ++ + + * + # peak 296 # SUP 2.07 HA ASN 89 - HN ALA 93 # SUP 0.88 Upper QB ALA 91 - HN VAL 94 4.08 16 0.50 1.09 + ++++++++++ ++* ++ # peak 506 # SUP 1.08 HG13 ILE 19 - HN VAL 94 # SUP 0.44 HG LEU 74 - HN VAL 94 # SUP 1.87 Upper HN SER 85 - HA ASN 89 5.14 12 0.46 0.89 + +++ +++*+ ++ + # peak 589 # SUP 2.47 HA TYR 83 - HN SER 85 # SUP 1.29 Upper HN LYS+ 81 - HG3 ARG+ 84 4.26 16 0.44 0.92 + +++++++ ++++*+++ # peak 707 # SUP 2.35 Upper HN THR 46 - HB2 GLU- 50 4.47 13 0.47 1.15 +*+ ++ +++++ ++ + # peak 714 # SUP 0.73 Upper HN GLU- 50 - HG3 GLU- 50 3.85 7 0.18 0.65 + + + + *+ + # peak 726 # SUP 4.14 Upper HN GLU- 64 - HN VAL 65 3.88 6 0.19 0.47 +++* + + # peak 744 # SUP 4.15 Upper HN GLU- 45 - QG2 VAL 62 4.03 7 0.29 1.40 + + + ++ *+ # peak 750 # SUP 1.87 HN GLU- 45 - HG12 ILE 68 # SUP 1.02 QG2 ILE 29 - HN GLU- 45 # SUP 0.36 Upper HG LEU 43 - HN GLU- 45 4.49 17 0.52 0.87 +++++++ +++++ *++++ # peak 752 # SUP 1.65 HN GLU- 45 - HB3 LEU 67 # SUP 1.19 Upper HN LYS+ 44 - HB3 LEU 67 4.41 6 0.21 0.88 + + + + * + # peak 780 # SUP 2.62 Upper HN THR 39 - HG LEU 43 4.15 9 0.29 0.79 ++ + ++ * + ++ # peak 807 # SUP 0.75 Upper HN THR 39 - HA VAL 40 4.65 16 0.47 0.72 + +++++++++++ ++* + # peak 808 # SUP 1.05 Upper HN SER 27 - HA ILE 48 4.26 6 0.25 0.60 + + + + + * # peak 817 # SUP 2.41 Upper HN SER 27 - HB ILE 48 4.99 12 0.39 0.79 +++ ++++ +++ +* # peak 818 # SUP 0.75 Upper HA2 GLY 26 - HN ASP- 28 3.52 17 0.81 1.36 ++++++*++++++++ ++ # peak 824 # SUP 2.38 HA1 GLY 26 - HN ASP- 28 # SUP 1.45 Upper HN GLU- 64 - HA VAL 65 4.56 6 0.15 0.51 + + + * ++ # peak 892 # SUP 2.19 HA PRO 59 - HN GLU- 64 # SUP 0.69 HD3 PRO 59 - HN GLU- 64 # SUP 0.45 Upper HN GLY 30 - HN LYS+ 32 5.47 6 0.27 1.24 ++ ++ + * # peak 919 # SUP 1.52 Upper HN SER 41 - HA ALA 42 4.43 19 0.46 0.68 + +++++++*++++++++++ # peak 934 # SUP 1.31 Upper HN ASN 57 - HA1 GLY 58 4.48 15 0.43 0.69 +++ *++ ++++++ +++ # peak 942 # SUP 3.90 Upper HD22 ASN 57 - HA1 GLY 58 4.30 6 0.19 0.63 * ++ ++ + # peak 964 # SUP 2.83 Upper HA ASN 89 - HN GLY 92 3.56 9 0.37 1.03 + + ++ + + +*+ # peak 1017 # SUP 2.78 HA GLU- 18 - HN GLY 92 # SUP 0.75 HA VAL 73 - HN GLY 92 # SUP 1.35 Upper HA ASN 89 - HN GLY 92 5.39 16 0.47 1.18 ++++++ ++++ ++++*+ # peak 1023 # SUP 2.78 Upper QD1 ILE 48 - HN THR 61 4.65 13 0.36 1.03 +++++++ ++* ++ + # peak 1044 # SUP 2.63 HG13 ILE 48 - HN THR 61 # SUP 1.39 HG12 ILE 48 - HN THR 61 # SUP 1.01 Upper HN GLY 71 - QG2 VAL 94 4.06 12 0.34 0.97 ++++ ++ +++*+ + # peak 1074 # SUP 1.70 QD1 ILE 19 - HN GLY 71 # SUP 1.56 HG12 ILE 19 - HN GLY 71 # SUP 1.34 Upper HN VAL 47 - HA ILE 48 4.64 13 0.41 0.93 ++ + ++ ++++ ++*+ # peak 1170 # SUP 4.65 Angle PSI LEU 17 116.00 146.00 11 6.49 20.61 ++ ++* +++ ++ + Angle PHI ILE 19 239.00 273.00 9 4.62 12.33 ++ +*+ + + ++ Angle PSI ILE 19 124.00 144.00 8 3.83 10.54 + ++ + * ++ + Angle PHI LYS+ 20 204.00 242.00 7 4.62 23.82 ++ + *+ ++ Angle PSI PHE 21 106.00 132.00 11 5.88 20.41 ++ ++ + ++ ++ +* Angle PHI ASP- 28 210.00 256.00 15 10.18 19.96 ++*+++++++++ ++ + Angle PSI PRO 31 128.00 150.00 9 5.36 14.60 + + +++++ +* Angle PHI ALA 33 246.00 278.00 11 4.72 11.50 ++ + +*+++ + ++ Angle PSI PHE 34 116.00 164.00 12 5.19 13.41 ++ + + ++ ++*+ ++ Angle PSI THR 38 113.00 153.00 13 6.12 10.25 +++ + *+ ++ ++++ + Angle PHI VAL 40 282.00 302.00 16 6.51 15.65 +*+++++++ +++ ++++ Angle PHI SER 41 281.00 301.00 16 8.62 22.56 +*++++++ +++++ ++ + Angle PHI ALA 42 282.00 302.00 6 3.12 9.27 + + + + +* Angle PHI LEU 43 283.00 303.00 9 5.58 24.57 + ++* ++++ + Angle PSI LEU 43 314.00 338.00 8 3.24 10.01 + + ++ *+ + + Angle PHI LYS+ 44 263.00 301.00 8 3.84 14.05 +* + + + ++ + Angle PHI GLU- 45 283.00 303.00 6 5.44 37.72 ++ ++ *+ Angle PSI GLU- 45 311.00 337.00 8 5.79 20.01 ++ + + * + ++ Angle PHI THR 46 286.00 306.00 9 4.53 12.97 +* + ++++++ Angle PSI THR 46 307.00 333.00 6 3.77 21.62 + + +++* Angle PHI VAL 47 286.00 306.00 19 21.35 37.06 ++++++*++++++ ++++++ Angle PSI VAL 47 304.00 324.00 14 10.66 28.75 ++ +++ ++++ ++++* Angle PHI ILE 48 291.00 311.00 7 3.97 15.78 + *+ ++++ Angle PSI ILE 48 308.00 328.00 12 7.91 25.71 +++ + ++++ + + +* Angle PSI TRP 51 110.00 138.00 18 15.22 24.35 +++ ++++++++* ++++++ Angle PSI ARG+ 53 314.00 334.00 20 16.05 22.38 +++++++++++++++*++++ Angle PHI GLU- 54 256.00 286.00 18 12.86 22.41 ++ *+++++++++++++ ++ Angle PSI GLU- 54 331.00 13.00 15 8.09 17.63 +*+++++++ ++ ++ ++ Angle PHI THR 61 232.00 276.00 15 8.50 15.87 + +++++ ++*++++++ Angle PSI VAL 65 92.00 130.00 13 10.27 23.35 + + +++++ ++++ * + Angle PHI LYS+ 66 235.00 281.00 14 10.03 23.82 + + ++++ +++ +*+++ Angle PSI LYS+ 66 118.00 152.00 15 9.27 22.15 + ++++ ++++++++* + Angle PHI LEU 67 223.00 259.00 16 10.65 23.77 + ++++ ++++++ +*+++ Angle PSI LEU 67 135.00 155.00 19 11.38 28.58 +++ ++++++++++*+++++ Angle PHI ILE 68 227.00 253.00 9 6.97 29.60 + + + +*+++ + Angle PSI ILE 68 110.00 146.00 12 8.41 18.46 ++*+++ + + + + ++ Angle PHI SER 69 218.00 274.00 8 5.69 17.93 + *++ + +++ Angle PSI LYS+ 72 116.00 150.00 9 5.08 16.62 + ++ + + ++ +* Angle PSI VAL 73 107.00 137.00 8 6.90 23.63 + + + + * +++ Angle PSI ARG+ 84 118.00 162.00 7 3.91 12.61 + ++ + *+ + Angle PHI SER 85 256.00 276.00 6 3.97 13.13 + +* + + + Angle PSI SER 85 113.00 153.00 6 4.89 25.32 ++ + + * + Angle PHI LEU 90 254.00 298.00 9 5.10 16.45 + + +++ + + *+ Angle PSI LEU 90 119.00 151.00 10 4.98 13.77 + ++ + + +*+ ++ Angle PSI GLY 92 349.00 11.00 12 5.99 15.17 + + +*+ ++ ++ +++ Angle PHI ALA 93 251.00 297.00 19 12.25 25.12 +++++++++++*+++ ++++ Angle PSI ALA 93 109.00 151.00 15 8.93 24.95 ++ +++ +++ + +*++++ Angle PHI VAL 94 245.00 279.00 17 12.40 21.97 +++++*++++++ ++++ + Angle PSI VAL 94 119.00 147.00 16 14.20 37.66 ++ ++++ ++++++* +++ Angle PHI THR 95 219.00 273.00 7 3.67 22.50 + +* ++ + + Angle PSI THR 95 113.00 139.00 20 16.00 26.54 +++++++++++++*++++++ Angle PHI THR 96 246.00 294.00 20 14.47 26.36 ++++++++++++*+++++++ Angle PSI THR 96 116.00 146.00 20 28.21 36.49 +++++*++++++++++++++ Angle PHI MET 97 248.00 292.00 20 30.42 41.42 ++++++*+++++++++++++ Angle PSI MET 97 120.00 166.00 17 9.63 19.73 + ++ + +++*+++++++++ Angle PHI HIS+ 98 248.00 288.00 10 5.38 16.98 + + + ++ +*+++ Angle PSI HIS+ 98 121.00 149.00 13 14.17 46.40 +++++++ ++ * + ++ Angle PHI VAL 99 242.00 268.00 15 12.26 40.04 +++++++ ++ *++ +++ Angle PSI VAL 99 121.00 143.00 12 8.53 20.45 +*+++ + + ++ +++ Angle PHI ILE 100 227.00 273.00 11 5.12 11.66 ++ ++++ * + +++ Angle PSI ILE 100 113.00 143.00 15 12.56 36.28 + ++*++++++ + ++ ++ Angle PHI ILE 101 252.00 274.00 19 15.16 29.54 ++++ ++++++++++++++* Angle PHI GLN 102 231.00 287.00 7 6.08 28.22 *+ +++ + + Angle PSI GLN 102 122.00 152.00 14 11.39 31.28 + ++++++ ++ ++*++ 95 violated distance constraints. 64 violated angle constraints. RMSDs for residues 20..108: Average backbone RMSD to mean : 4.62 +/- 1.49 A (3.08..8.17 A) Average heavy atom RMSD to mean : 5.26 +/- 1.56 A (3.57..8.80 A)