Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 20.44 84 27.4 0.94 27 19.8 0.45 20 223.1 15.61 2 21.29 90 28.8 1.13 20 20.1 0.47 24 247.4 16.61 3 21.84 83 29.2 1.01 20 21.7 0.47 20 194.2 13.54 4 22.32 91 32.4 0.84 18 20.7 0.45 21 208.7 11.23 5 22.60 95 32.2 0.86 22 21.4 0.43 19 213.9 18.99 6 22.74 80 28.4 1.35 21 19.1 0.51 21 241.3 18.64 7 23.06 83 30.0 1.13 19 20.2 0.52 19 222.5 16.66 8 23.21 79 28.6 1.16 21 20.0 0.36 22 261.9 18.69 9 23.24 80 30.0 1.11 24 19.2 0.42 18 218.9 16.71 10 23.32 88 29.7 0.92 28 22.5 0.48 22 251.3 16.83 11 23.73 83 30.4 1.30 17 19.6 0.46 19 237.8 18.97 12 23.77 85 28.8 0.96 32 23.5 0.45 21 237.6 16.81 13 23.93 88 28.9 0.93 27 22.7 0.58 23 258.7 16.39 14 23.94 84 30.8 0.98 27 21.7 0.39 18 215.5 13.49 15 24.02 85 28.9 0.89 33 23.0 0.44 21 270.8 18.81 16 24.02 78 30.0 0.97 27 20.5 0.40 19 222.8 12.92 17 24.25 92 31.5 0.90 25 23.0 0.56 20 220.9 22.02 18 24.34 82 30.3 1.07 29 22.8 0.47 17 213.8 15.72 19 24.46 85 30.5 1.10 26 21.0 0.45 15 213.6 16.27 20 24.52 75 28.8 1.24 29 22.3 0.59 19 225.4 18.58 Ave 23.25 85 29.8 1.04 25 21.2 0.47 20 230.0 16.68 +/- 1.08 5 1.3 0.14 5 1.4 0.06 2 19.5 2.46 Min 20.44 75 27.4 0.84 17 19.1 0.36 15 194.2 11.23 Max 24.52 95 32.4 1.35 33 23.5 0.59 24 270.8 22.02 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 0.10 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper HN ASP- 74 - HG3 LYS+ 76 4.95 11 0.11 0.31 +++++ * + ++ ++ # peak 310 # SUP 2.28 HN ASP- 74 - HD3 LYS+ 76 # SUP 1.97 Upper HN PHE 60 - QE PHE 60 4.99 20 0.24 0.37 ++++++++*+++++++++++ # peak 319 # SUP 5.12 Upper HG3 PRO 46 - HN PHE 60 4.50 20 0.47 1.13 ++++++*+++++++++++++ # peak 325 # SUP 1.04 HN PHE 60 - HB ILE 61 # SUP 4.58 Upper HN LEU 54 - HG2 LYS+ 67 4.90 16 0.33 0.77 + + ++++++*+++++ ++ # peak 400 # SUP 1.15 HB2 ARG+ 52 - HN LEU 54 # SUP 2.22 HN LEU 54 - HD2 LYS+ 76 # SUP 0.28 Upper HN HIS 51 - HB3 TYR 59 5.16 13 0.18 0.65 +*++++ + ++ ++ ++ # peak 439 # SUP 1.54 Upper HN HIS 51 - HB2 PHE 60 5.44 18 0.29 0.61 ++++++++* ++++++ +++ # peak 441 # SUP 2.87 HB2 PHE 41 - HN HIS 51 # SUP 0.93 Upper QD2 LEU 54 - HN ALA 57 4.87 20 0.55 0.97 +++++++++++++*++++++ # peak 476 # SUP 0.99 Upper HN HIS 69 - HB3 PHE 70 4.86 19 0.24 0.40 ++++++*++++++++++++ # peak 491 # SUP 5.79 Upper HN HIS 75 - HB3 LYS+ 76 3.76 15 0.16 0.42 +++++*++ +++++ ++ # peak 519 # SUP 6.12 HN HIS 75 - HB3 LYS+ 77 # SUP 3.85 Upper HN HIS 75 - HG3 LYS+ 76 5.21 8 0.08 0.32 *+ ++ + + ++ # peak 528 # SUP 6.10 HN HIS 75 - HD3 LYS+ 76 # SUP 7.05 Upper HN HIS 75 - HG2 LYS+ 77 5.07 20 0.51 0.70 *+++++++++++++++++++ # peak 530 # SUP 2.13 HN HIS 75 - HG2 ARG+ 78 # SUP 0.62 HN HIS 75 - HB2 LEU 79 # SUP 0.65 HN HIS 75 - HG2 LYS+ 80 # SUP 0.12 HN HIS 75 - HG3 LYS+ 80 # SUP 0.20 Upper HG3 ARG+ 78 - HN LYS+ 80 4.01 15 0.32 1.30 +++++ ++++* +++++ # peak 551 # SUP 3.42 Upper HG LEU 45 - HN LEU 50 4.07 7 0.10 0.47 +* + +++ + # peak 594 # SUP 4.43 Upper HN GLY 48 - HN LEU 50 5.28 9 0.13 0.37 + + +*++ + ++ # peak 603 # SUP 4.68 HN ASP- 42 - HN LEU 50 # SUP 0.75 Upper HG3 ARG+ 71 - HN SER 72 4.34 13 0.25 0.54 +++++ ++*+ +++ + # peak 626 # SUP 4.39 HB3 LEU 66 - HN SER 72 # SUP 0.97 Upper HN GLY 48 - HA1 GLY 49 4.50 19 0.27 0.44 ++++*+++++++++++ +++ # peak 694 # SUP 4.59 HN GLY 48 - HA ILE 61 # SUP 0.38 Upper HN GLY 47 - HA1 GLY 49 5.37 16 0.21 0.42 *+ + ++++++++ + ++++ # peak 707 # SUP 1.89 Upper HN LEU 66 - HG2 LYS+ 67 5.09 7 0.08 0.28 + + + +* + + # peak 725 # SUP 5.32 Upper HN ARG+ 52 - HN CYS 53 4.19 20 0.25 0.32 ++++++++++++++++*+++ # peak 741 # SUP 4.25 Upper HN ARG+ 52 - HB2 PHE 60 5.09 13 0.22 0.66 + ++++ +*++++ ++ # peak 745 # SUP 3.50 Upper HG2 ARG+ 52 - HN CYS 53 4.69 8 0.10 0.37 + +++ * + + + # peak 760 # SUP 5.37 Upper HG3 ARG+ 52 - HN CYS 53 4.88 12 0.15 0.40 *+ ++++ + ++ + + + # peak 762 # SUP 5.77 Upper HA PRO 43 - HN LEU 45 4.86 16 0.41 0.73 ++++++*+++++++ ++ # peak 789 # SUP 2.28 Upper HG LEU 54 - HN ALA 55 4.75 17 0.54 0.77 + +++ ++*++++ ++++++ # peak 799 # SUP 5.98 Upper HN ALA 55 - HN ALA 57 4.92 9 0.09 0.31 + + + ++++* + # peak 801 # SUP 4.26 Upper HN ASP- 44 - HG LEU 45 4.94 13 0.17 0.58 +++++ + + +++*+ + # peak 844 # SUP 3.78 Upper HA VAL 84 - HN GLU- 85 3.41 8 0.08 0.22 + + ++* ++ + # peak 899 # SUP 3.00 Upper HA GLU- 40 - HN PHE 41 3.29 6 0.09 0.35 + * + + + + # peak 931 # SUP 3.08 Upper HN PHE 41 - HG3 ARG+ 78 4.46 13 0.25 1.24 + ++ +++ ++++ ++* # peak 934 # SUP 3.29 Upper HN PHE 41 - HB2 ARG+ 78 4.58 10 0.20 0.94 + + + ++ + +++ * # peak 937 # SUP 2.27 Upper HN HIS 69 - HZ PHE 70 5.07 20 0.75 0.99 +++++++*++++++++++++ # peak 1234 # SUP 4.76 Upper QD2 LEU 54 - HN LEU 66 4.60 10 0.23 0.93 ++ ++ +++* ++ # peak 1518 # SUP 2.16 Upper HA LEU 54 - HG3 ARG+ 78 2.93 19 0.36 1.16 +++++++*+++ ++++++++ # peak 238 # SUP 2.82 HA GLN 81 - HB3 GLU- 90 # SUP 0.08 Upper HB3 GLN 81 - HA GLN 89 3.98 14 0.23 0.78 +++++ + +++++ * ++ # peak 264 # SUP 0.75 Upper HA GLU- 40 - HG3 ARG+ 78 3.33 17 0.48 1.35 +++++*+++ ++ ++++++ # peak 277 # SUP 3.67 Upper HA GLU- 40 - HG3 LYS+ 80 3.93 6 0.09 0.40 +++ * ++ # peak 279 # SUP 1.30 HA GLU- 40 - HG2 LYS+ 80 # SUP 1.80 HA GLU- 40 - HD2 LYS+ 80 # SUP 2.18 Upper HB2 PHE 60 - HB3 ASN 65 2.40 19 0.42 0.80 ++++++++ ++++*++++++ # peak 553 # SUP 5.84 Upper HD2 LYS+ 77 - HD3 LYS+ 80 3.51 13 0.17 0.38 +++++ +++++++ * # peak 715 # SUP 0.29 HD3 LYS+ 76 - HD2 LYS+ 77 # SUP 3.00 Upper HG2 GLN 81 - HB3 GLN 89 3.55 7 0.10 0.41 + + *+ + + + # peak 723 # SUP 2.25 Upper HA GLU- 40 - HD3 LYS+ 80 4.19 18 0.31 0.62 +++++ ++++++++++* ++ # peak 727 # SUP 1.78 Upper HG LEU 45 - HB2 TYR 59 5.06 12 0.21 0.63 +*+++ + +++ +++ # peak 822 # SUP 1.34 HG LEU 45 - HD2 ARG+ 52 # SUP 0.02 Upper QD2 LEU 54 - HG2 LYS+ 67 2.98 19 0.44 1.04 +++++++*++++++ +++++ # peak 907 # SUP 3.09 HB2 ARG+ 52 - QD2 LEU 54 # SUP 3.59 QD2 LEU 54 - HD2 LYS+ 76 # SUP 0.38 Upper HB2 LEU 54 - HB3 LEU 66 3.01 19 0.40 0.82 ++ ++++++++++++++*++ # peak 1109 # SUP 4.62 HB3 LEU 54 - HB3 LEU 66 # SUP 4.48 Upper HA ARG+ 52 - HB2 LEU 79 4.94 20 0.44 0.73 ++++++++++++++++++*+ # peak 1210 # SUP 3.29 Upper HG LEU 45 - QD1 LEU 50 3.76 9 0.14 0.68 + + ++ +*+++ # peak 1341 # SUP 2.91 Upper HA LEU 54 - HB3 LEU 66 3.85 20 0.68 1.14 ++++++++++*+++++++++ # peak 1346 # SUP 4.39 HB3 LEU 66 - HB THR 68 # SUP 3.30 HA ALA 55 - HB3 LEU 66 # SUP 2.49 Upper HA SER 72 - HB3 SER 72 2.48 13 0.16 0.40 ++++++ + + + *+++ # peak 1431 # SUP 2.31 HA ARG+ 71 - HA SER 72 # SUP 3.02 Upper HA ARG+ 78 - HD2 ARG+ 78 4.09 8 0.12 0.41 +++ +++ + * # peak 1459 # SUP 5.46 HA LEU 54 - HD2 ARG+ 78 # SUP 2.86 Upper HA LEU 54 - HD3 ARG+ 78 4.18 9 0.16 0.44 ++ ++ + + *+ + # peak 1460 # SUP 2.63 HA ARG+ 78 - HD3 ARG+ 78 # SUP 6.12 Upper HN HIS 69 - HA PHE 70 4.73 20 0.28 0.32 +++++++++++*++++++++ # peak 1514 # SUP 5.32 Upper HA TYR 87 - HB3 GLU- 90 4.25 9 0.11 0.32 + +*++ + + ++ # peak 1534 # SUP 2.55 Upper HG12 ILE 61 - HA ASN 65 5.09 20 0.37 0.69 +++++++++++++++++++* # peak 1584 # SUP 1.56 Upper HA PHE 60 - HG13 ILE 61 5.39 6 0.16 0.86 + ++ + + * # peak 1588 # SUP 6.08 Upper HB2 PHE 41 - QD1 LEU 50 4.64 14 0.36 0.77 ++ ++++++ +* ++ ++ # peak 1610 # SUP 1.60 HB3 PHE 41 - QD1 LEU 50 # SUP 1.52 Upper HB3 LEU 66 - HA LYS+ 67 4.28 12 0.14 0.27 + ++*+ + ++ ++++ # peak 1644 # SUP 7.22 HA SER 63 - HB3 LEU 66 # SUP 4.70 Upper HA LYS+ 76 - HB3 LEU 79 4.68 6 0.11 0.56 + + + * + + # peak 1656 # SUP 2.25 Upper HA LEU 79 - HB2 LEU 82 4.84 6 0.11 0.47 ++ + +* + # peak 1678 # SUP 2.37 Upper HB2 ASP- 42 - HB3 LEU 45 5.07 10 0.20 0.59 +*+++ +++++ # peak 1704 # SUP 5.52 Upper HA PHE 41 - HB3 ASP- 42 5.50 11 0.08 0.18 + + + ++ ++ ++ +* # peak 1711 # SUP 4.07 Upper QB ALA 55 - HB3 LEU 66 4.56 18 0.37 0.70 +++ +++++++*+++++++ # peak 1721 # SUP 0.02 HB3 LEU 66 - HB2 LEU 79 # SUP 0.02 HB3 LEU 66 - HG2 ARG+ 78 # SUP 0.02 Upper QD2 LEU 54 - HG3 ARG+ 78 4.76 7 0.14 0.54 + + +++ +* # peak 1734 # SUP 3.14 Upper HB2 ARG+ 52 - HB2 TYR 59 5.16 8 0.09 0.31 +++*+ + + + # peak 1767 # SUP 1.84 HG LEU 50 - HB2 TYR 59 # SUP 0.85 Upper HB2 ARG+ 52 - HB3 TYR 59 5.06 18 0.30 0.56 ++++++++++++++ ++*+ # peak 1768 # SUP 2.40 HG LEU 50 - HB3 TYR 59 # SUP 1.24 Upper HA LEU 45 - HB2 TYR 59 5.13 17 0.25 0.51 + +++++++ +++++*+ ++ # peak 1779 # SUP 2.71 Upper HB2 PHE 41 - HG2 ARG+ 78 5.42 6 0.11 0.73 + +* + + + # peak 1835 # SUP 1.69 HB3 PHE 41 - HG2 ARG+ 78 # SUP 2.06 HB2 PHE 41 - HG2 LYS+ 77 # SUP 1.10 HB3 PHE 41 - HG2 LYS+ 77 # SUP 0.88 Upper HD3 ARG+ 52 - QE TYR 59 4.23 9 0.11 0.36 *++ + +++ + + # peak 1879 # SUP 3.00 Upper HA THR 68 - HD3 ARG+ 71 4.37 8 0.12 0.43 ++ + + + +* + # peak 1888 # SUP 2.18 Upper HA THR 68 - HA HIS 69 4.26 20 0.37 0.40 +++++++++++*++++++++ # peak 1891 # SUP 3.84 Upper HB2 PHE 60 - HG LEU 66 4.04 9 0.18 0.64 + +* +++++ + # peak 1896 # SUP 6.28 HB3 HIS 51 - HG LEU 66 # SUP 3.77 Upper HA HIS 51 - HG LEU 66 4.09 18 0.35 0.92 +++++++ +++*+++++++ # peak 1897 # SUP 2.02 Upper HG LEU 66 - QD PHE 70 4.15 15 0.19 0.36 ++++++ ++*+ + ++ ++ # peak 1902 # SUP 2.86 HG LEU 66 - HN HIS 69 # SUP 5.67 Upper HG LEU 66 - HN LYS+ 67 4.55 12 0.14 0.33 *++ + ++ + ++ + ++ # peak 1903 # SUP 8.64 Upper HN LYS+ 77 - HG LEU 79 4.75 7 0.06 0.33 ++ * ++ + + # peak 1920 # SUP 1.00 HE1 HIS 75 - HG LEU 79 # SUP 1.52 HN SER 63 - HG LEU 79 # SUP 0.75 Upper HA GLU- 40 - HG2 LYS+ 77 4.54 15 0.27 0.57 +++++ + ++ ++++ *+ + # peak 1931 # SUP 1.23 Upper HG3 ARG+ 52 - HB2 LEU 79 3.95 16 0.29 0.91 ++++++ +*+++ ++ + ++ # peak 1957 # SUP 3.74 Upper HD3 LYS+ 76 - HN LYS+ 77 4.96 6 0.08 0.59 ++ + + +* # peak 1981 # SUP 7.48 Upper HD3 ARG+ 78 - HG LEU 79 4.20 7 0.09 0.41 * ++ + + + + # peak 1988 # SUP 4.54 Upper HD2 ARG+ 52 - HG LEU 79 4.43 15 0.36 1.02 +++ ++++++ +++ +*+ # peak 1989 # SUP 1.03 HB3 HIS 75 - HG LEU 79 # SUP 0.13 Upper QD2 LEU 45 - HA2 GLY 49 4.56 15 0.18 0.44 + +++ +++++*+++ ++ # peak 1998 # SUP 2.70 Upper QD2 LEU 45 - QD TYR 59 5.43 6 0.04 0.18 * + + ++ + # peak 2008 # SUP 3.79 Upper HN ALA 55 - HB3 CYS 56 5.25 17 0.23 0.44 ++++++ +++++++*+++ # peak 2010 # SUP 4.20 Upper HB2 CYS 56 - HB2 ARG+ 58 5.19 13 0.13 0.29 ++ +++ + +* + ++++ # peak 2020 # SUP 3.37 Upper HB2 HIS 51 - HB2 LEU 66 4.93 12 0.13 0.29 +++ + *+ ++ + +++ # peak 2029 # SUP 1.81 HB2 HIS 51 - QD1 LEU 54 # SUP 0.42 Upper HB3 HIS 51 - HB2 LEU 66 5.45 8 0.10 0.34 ++++ + + *+ # peak 2032 # SUP 1.88 HB3 HIS 51 - QD1 LEU 54 # SUP 0.36 Upper QD1 LEU 45 - HD2 PRO 46 3.96 15 0.20 0.39 ++++ +++++*++ +++ # peak 2055 # SUP 7.39 Upper QD1 LEU 45 - HD3 PRO 46 4.12 16 0.22 0.62 +++++ ++++++++ *++ # peak 2062 # SUP 7.21 Upper QD2 LEU 45 - HA1 GLY 49 4.31 11 0.15 0.37 + +++ + ++ ++ *+ # peak 2095 # SUP 5.15 Upper HN LEU 50 - QD2 LEU 50 4.19 6 0.05 0.23 ++ + + * + # peak 2104 # SUP 6.21 Upper HE ARG+ 52 - QD2 LEU 79 4.63 8 0.12 0.41 +++ + + * ++ # peak 2113 # SUP 0.22 Upper HD3 ARG+ 52 - QD2 LEU 54 4.32 7 0.11 0.64 + + + ++ *+ # peak 2127 # SUP 1.87 Upper HD3 ARG+ 52 - HB2 LEU 79 4.12 7 0.08 0.32 +* ++ + ++ # peak 2133 # SUP 4.71 Upper QD2 LEU 54 - HA LEU 79 4.19 10 0.14 0.71 ++ + + + ++*+ + # peak 2175 # SUP 0.71 HA LEU 79 - QD2 LEU 82 # SUP 2.02 HA LEU 79 - HG LEU 82 # SUP 2.50 Upper HA LEU 66 - HA HIS 69 4.81 18 0.31 0.61 +++++++++++ +*+ ++++ # peak 2178 # SUP 2.25 Upper HB2 SER 72 - HE1 HIS 75 5.14 10 0.23 0.92 + ++ + ++++* + # peak 49 # SUP 1.03 Upper HE1 HIS 75 - HD3 ARG+ 78 4.72 11 0.16 0.72 ++ ++ +*++ ++ + # peak 51 # SUP 1.29 HD3 ARG+ 71 - HE1 HIS 75 # SUP 0.78 Upper HB3 ASP- 74 - HE1 HIS 75 4.17 20 0.62 1.05 ++++++++++++++++++*+ # peak 52 # SUP 1.30 HB2 CYS 53 - HE1 HIS 75 # SUP 0.02 Upper HE1 HIS 75 - HB2 ARG+ 78 4.62 19 0.42 0.78 ++*+++++ +++++++++++ # peak 54 # SUP 0.99 HG3 ARG+ 71 - HE1 HIS 75 # SUP 0.24 HE1 HIS 75 - HB3 LYS+ 77 # SUP 1.24 HB3 LEU 66 - HE1 HIS 75 # SUP 0.02 Upper HA2 GLY 49 - QD TYR 59 4.00 17 0.38 0.59 *++++++++ ++ +++ +++ # peak 86 # SUP 2.11 Upper QD1 LEU 45 - QD TYR 59 4.49 10 0.25 1.04 ++ + + ++ + +*+ # peak 93 # SUP 3.79 Upper HB3 TYR 59 - QD PHE 60 3.86 20 0.55 0.79 +++++++++++++++++*++ # peak 109 # SUP 4.80 QD PHE 60 - HB2 HIS 69 # SUP 1.44 Upper HA CYS 53 - QD PHE 70 4.89 6 0.11 0.42 + ++ + +* # peak 133 # SUP 0.71 Upper HG LEU 66 - QD PHE 70 4.34 9 0.09 0.26 +++ + *+ + + + # peak 139 # SUP 2.86 Upper QD1 LEU 66 - QD PHE 70 4.32 8 0.19 0.69 ++ + * + + ++ # peak 141 # SUP 4.27 Upper QE PHE 60 - HN LEU 66 4.22 13 0.24 0.57 +++ + ++ + +*++ ++ # peak 148 # SUP 3.36 Upper QE PHE 60 - HG LEU 66 4.37 18 0.32 0.55 +++++++++++++* ++++ # peak 157 # SUP 4.11 QE PHE 60 - QD1 ILE 61 # SUP 4.99 Upper HN LEU 66 - QE PHE 70 4.13 13 0.22 0.64 ++ +*+ + +++ + ++ + # peak 166 # SUP 3.32 Upper QD1 LEU 66 - HZ PHE 70 4.57 8 0.14 0.77 ++ + + * + ++ # peak 182 # SUP 4.19 Upper HZ PHE 60 - HB2 HIS 69 5.27 11 0.23 0.77 + + + ++* ++ ++ + # peak 188 # SUP 0.99 HB3 TYR 59 - HZ PHE 60 # SUP 4.06 Upper HA1 GLY 49 - QE TYR 59 4.32 16 0.17 0.31 + +++ +++++++++ +*+ # peak 219 # SUP 3.79 Upper HA2 GLY 49 - QE TYR 59 4.41 19 0.52 0.75 ++++++ ++++++++*++++ # peak 220 # SUP 3.82 Upper QD1 LEU 50 - QE TYR 59 4.80 13 0.18 0.44 + +++++ + ++ *+++ # peak 227 # SUP 2.51 Angle PHI PHE 41 238.00 286.00 10 5.48 14.11 ++ +*+ + ++ + + Angle PSI PHE 41 114.00 136.00 14 5.96 14.34 + +++++ + ++++*+ + Angle PSI ASP- 42 118.00 152.00 10 5.09 18.69 +++++ *+ + ++ Angle PSI PRO 46 122.00 150.00 11 5.45 11.04 + + *+++++ + + + Angle PSI CYS 53 118.00 150.00 7 4.87 16.71 + ++ +* + + Angle PHI LEU 54 289.00 309.00 6 3.58 13.06 + + +++ * Angle PHI ALA 55 283.00 303.00 11 6.30 14.11 ++ *+ + + ++++ + Angle PSI ALA 55 318.00 342.00 6 3.85 12.03 + * + + + + Angle PHI ARG+ 58 210.00 254.00 12 7.81 13.65 + ++*++ + ++ ++ + Angle PSI ARG+ 58 142.00 170.00 11 5.14 14.67 ++++ + * + ++++ Angle PSI PHE 60 142.00 176.00 14 7.04 11.97 +++ + ++ +++++*+ + Angle PSI THR 64 309.00 329.00 8 5.53 18.81 + ++ + *+++ Angle PSI ASN 65 309.00 335.00 10 4.87 11.55 +++ + ++*++ + Angle PSI LEU 66 307.00 327.00 10 4.22 9.06 ++ ++ + + + * ++ Angle PHI THR 68 284.00 304.00 15 9.92 16.61 +*+ ++++ ++++++ ++ Angle PSI THR 68 309.00 329.00 8 3.21 10.42 ++ + * + +++ Angle PHI HIS 69 285.00 305.00 18 8.02 11.25 ++*++++++ + ++++++++ Angle PHI PHE 70 266.00 302.00 18 9.08 16.81 +++ +++++++*+ ++++++ Angle PSI PHE 70 329.00 5.00 17 9.56 16.83 ++++++ *++++++++++ Angle PSI LYS+ 73 314.00 334.00 8 3.86 10.65 ++ + + *+ ++ Angle PHI ASP- 74 285.00 305.00 6 3.14 7.70 + + +* ++ Angle PHI HIS 75 286.00 306.00 10 5.86 11.75 *+ ++ + +++ ++ Angle PHI LYS+ 76 285.00 305.00 11 5.49 11.29 +++ ++ + ++ +*+ Angle PSI LYS+ 76 310.00 330.00 14 6.59 14.11 ++ +++ + *++++ ++ + Angle PHI LYS+ 77 285.00 305.00 13 6.35 18.64 ++ + * +++ ++ ++++ Angle PSI LYS+ 77 308.00 328.00 13 8.06 15.49 +++++ +++ ++* + + Angle PHI ARG+ 78 287.00 307.00 13 7.88 18.58 +++++ +++ ++++ * Angle PSI ARG+ 78 312.00 332.00 9 5.95 18.97 ++ + +* ++ ++ Angle PHI LEU 79 285.00 305.00 6 3.00 11.67 + ++ + *+ Angle PSI LEU 79 310.00 330.00 17 12.45 22.02 +++++++++++++ + * ++ Angle PHI LYS+ 80 286.00 306.00 12 5.81 11.78 +++++++ + +* + + Angle PHI GLN 81 282.00 302.00 10 5.33 10.01 ++++ ++++ * + 111 violated distance constraints. 32 violated angle constraints. RMSDs for residues 40..82: Average backbone RMSD to mean : 0.75 +/- 0.23 A (0.53..1.27 A) Average heavy atom RMSD to mean : 1.35 +/- 0.24 A (1.04..1.91 A)