Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 42.09 75 52.5 1.18 30 27.3 0.57 19 230.9 17.23 2 46.10 73 53.8 1.24 40 29.3 0.57 22 273.6 21.00 3 46.69 72 53.2 1.47 45 27.8 0.54 23 263.0 18.19 4 46.98 70 51.2 1.18 45 30.9 0.58 23 277.7 23.88 5 47.45 74 55.0 1.24 45 31.3 0.68 26 320.3 22.90 6 47.57 71 52.1 1.31 53 30.3 0.74 25 304.0 18.14 7 47.94 72 53.5 1.19 45 31.9 0.60 24 275.5 19.34 8 49.55 75 56.2 1.41 45 31.1 0.53 16 250.8 23.06 9 49.61 79 55.8 1.30 37 32.8 0.51 28 340.5 21.70 10 49.67 76 56.3 1.20 42 31.6 0.70 23 291.5 29.00 11 49.83 80 56.6 1.20 42 30.5 0.59 22 261.6 18.93 12 50.65 73 53.3 1.36 47 34.3 0.63 23 316.1 22.67 13 50.72 78 55.0 1.62 48 31.6 0.72 24 263.8 17.28 14 50.97 76 55.6 1.38 50 34.3 0.53 26 298.0 22.54 15 52.13 72 54.9 1.49 55 37.8 0.54 27 323.7 16.13 16 53.21 79 56.7 1.28 44 35.7 0.60 27 340.3 22.01 17 53.61 78 58.6 1.43 49 33.5 0.55 20 265.6 26.66 18 53.74 77 56.8 1.66 45 31.4 0.57 20 254.7 19.79 19 53.80 73 58.0 1.56 59 37.2 0.50 26 301.8 17.62 20 53.96 85 60.0 1.69 38 29.4 0.55 25 293.1 23.78 Ave 49.81 75 55.2 1.37 45 32.0 0.59 23 287.3 21.09 +/- 3.07 4 2.2 0.16 6 2.7 0.07 3 29.8 3.27 Min 42.09 70 51.2 1.18 30 27.3 0.50 16 230.9 16.13 Max 53.96 85 60.0 1.69 59 37.8 0.74 28 340.5 29.00 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 HN PHE 60 - QE PHE 60 4.76 11 0.35 0.61 +++ ++ + + *+ + + # peak 319 # SUP 5.25 Upper HN PHE 60 - HB ILE 61 4.30 16 0.59 1.19 ++++++*++ ++ +++++ # peak 325 # SUP 4.92 HG3 PRO 46 - HN PHE 60 # SUP 0.98 Upper HB2 ARG+ 52 - HN LEU 54 4.68 16 0.46 0.98 ++ +++*++++++ +++ + # peak 400 # SUP 2.29 HN LEU 54 - HG2 LYS+ 67 # SUP 1.10 HN LEU 54 - HD2 LYS+ 76 # SUP 0.27 Upper HG3 ARG+ 71 - HN LYS+ 73 4.45 15 0.54 1.24 ++++++ + ++ ++++ *+ # peak 407 # SUP 1.60 HN LYS+ 73 - HB3 LYS+ 77 # SUP 0.26 HB3 LYS+ 67 - HN LYS+ 73 # SUP 0.02 Upper HN HIS 51 - HB3 TYR 59 4.93 8 0.28 0.85 ++++ + +* + # peak 439 # SUP 1.59 Upper HN HIS 51 - HB2 PHE 60 5.20 10 0.34 1.03 +++ ++ ++ ++* # peak 441 # SUP 2.57 HB2 PHE 41 - HN HIS 51 # SUP 0.89 HB3 PHE 41 - HN HIS 51 # SUP 0.97 Upper QD2 LEU 54 - HN ALA 57 4.65 19 0.78 1.31 +++++*++++++++ +++++ # peak 476 # SUP 0.99 Upper HN HIS 69 - HB3 PHE 70 4.64 18 0.47 0.71 +++++++++*++ ++++++ # peak 491 # SUP 5.95 Upper HN HIS 75 - HB3 LYS+ 76 3.59 14 0.32 0.43 ++ + + ++++++*++ + # peak 519 # SUP 6.62 HN HIS 75 - HB3 LYS+ 77 # SUP 3.96 HN HIS 75 - HB2 ARG+ 78 # SUP 1.38 Upper HN HIS 75 - HG2 LYS+ 77 4.84 19 0.70 1.03 +++++++++ +++++*++++ # peak 530 # SUP 2.15 HN HIS 75 - HG2 ARG+ 78 # SUP 0.63 HN HIS 75 - HB2 LEU 79 # SUP 0.70 HN HIS 75 - HG3 LYS+ 80 # SUP 0.23 HN HIS 75 - HG2 LYS+ 80 # SUP 0.12 Upper HG3 ARG+ 78 - HN LYS+ 80 3.83 13 0.35 0.89 ++ +++ +*++ ++ ++ # peak 551 # SUP 3.72 Upper HB3 ASN 65 - HN LYS+ 67 4.80 7 0.14 0.44 +++ + ++ * # peak 569 # SUP 3.80 HB2 PHE 60 - HN LYS+ 67 # SUP 3.21 Upper HN GLY 48 - HN LEU 50 5.04 6 0.16 0.59 * + +++ + # peak 603 # SUP 4.26 HN ASP- 42 - HN LEU 50 # SUP 0.75 Upper HG3 ARG+ 71 - HN SER 72 4.14 6 0.22 0.86 + + *+ ++ # peak 626 # SUP 5.72 HB3 LEU 66 - HN SER 72 # SUP 0.80 Upper HN HIS 69 - HN SER 72 5.47 19 0.49 0.77 ++++*++++ ++++++++++ # peak 632 # SUP 1.97 Upper HN GLY 48 - HA1 GLY 49 4.30 15 0.51 0.88 ++++ + ++*++++ +++ # peak 694 # SUP 5.33 HN GLY 48 - HA ILE 61 # SUP 1.31 Upper HN GLY 47 - HA1 GLY 49 5.13 9 0.39 1.02 ++ + +*+ + ++ # peak 707 # SUP 2.68 HN GLY 47 - HA ILE 61 # SUP 1.11 Upper HN ARG+ 52 - HN CYS 53 4.00 20 0.46 0.61 ++++++++++++++++++*+ # peak 741 # SUP 4.41 Upper HN ARG+ 52 - HB2 PHE 60 4.86 12 0.32 0.76 + ++++++ + ++ +* # peak 745 # SUP 3.31 Upper HG2 ARG+ 52 - HN CYS 53 4.48 9 0.24 0.57 ++* ++ +++ + # peak 760 # SUP 5.62 Upper HG3 ARG+ 52 - HN CYS 53 4.66 10 0.26 0.66 ++* ++ +++ ++ # peak 762 # SUP 6.02 Upper HA PRO 43 - HN LEU 45 4.64 13 0.32 0.66 + +++++++* ++ ++ # peak 789 # SUP 2.28 Upper HG LEU 54 - HN ALA 55 4.53 11 0.43 0.95 +++ + + ++++ *+ # peak 799 # SUP 6.06 Upper HB3 LYS+ 67 - HN THR 68 3.71 10 0.23 0.44 ++++ ++*+ + + # peak 848 # SUP 6.70 HB3 LEU 66 - HN THR 68 # SUP 4.10 Upper HN GLY 49 - HB3 LEU 50 4.63 16 0.41 0.83 ++++ + *+++++++ ++ + # peak 865 # SUP 4.65 Upper HA VAL 84 - HN GLU- 85 3.25 6 0.17 0.39 + +* + ++ # peak 899 # SUP 2.99 Upper HA GLU- 40 - HN PHE 41 3.14 6 0.16 0.49 +++* + + # peak 931 # SUP 2.91 HN PHE 41 - HA PRO 43 # SUP 1.29 Upper HN PHE 41 - HG3 ARG+ 78 4.26 12 0.38 1.38 + + ++ + ++* ++++ # peak 934 # SUP 3.44 HN PHE 41 - HG3 PRO 43 # SUP 0.63 Upper HN PHE 41 - HB2 ARG+ 78 4.37 11 0.34 0.77 ++ * + + ++ + + ++ # peak 937 # SUP 2.29 HN PHE 41 - HB3 LYS+ 77 # SUP 1.08 Upper HN HIS 69 - HZ PHE 70 4.84 20 0.75 0.96 +++++++*++++++++++++ # peak 1234 # SUP 5.29 Upper HN ASN 65 - HB3 LEU 66 5.35 7 0.22 0.49 *++ + + + + # peak 1512 # SUP 5.40 HN ASN 65 - HB3 LYS+ 67 # SUP 0.83 Upper QD2 LEU 54 - HN LEU 66 4.39 6 0.25 0.86 ++ + * + + # peak 1518 # SUP 2.10 Upper QG2 THR 68 - HA HIS 69 3.38 6 0.21 0.61 + ++* ++ # peak 51 # SUP 3.52 Upper HA LEU 54 - HG3 ARG+ 78 2.79 14 0.56 1.69 ++++ + + ++ ++ +++* # peak 238 # SUP 3.30 HA GLN 81 - HB3 GLU- 90 # SUP 0.08 HG3 ARG+ 78 - HA GLN 81 # SUP 0.24 Upper HB3 GLN 81 - HA GLN 89 3.79 6 0.23 0.72 * ++ + + + # peak 264 # SUP 0.75 Upper HA GLU- 40 - HG3 ARG+ 78 3.17 14 0.61 1.62 ++++ + ++++* ++ + + # peak 277 # SUP 3.67 Upper HA GLU- 40 - HG3 LYS+ 80 3.74 8 0.26 0.65 + + ++ * +++ # peak 279 # SUP 1.31 HA GLU- 40 - HG2 LYS+ 80 # SUP 1.50 HA GLU- 40 - HD2 LYS+ 80 # SUP 2.25 Upper HB2 PHE 60 - HB3 ASN 65 2.40 7 0.25 0.59 * + + + + + + # peak 553 # SUP 7.38 Upper HA SER 72 - HB3 LYS+ 73 3.06 20 0.69 0.87 +++++++++++++++*++++ # peak 638 # SUP 0.02 HB3 SER 72 - HB3 LYS+ 73 # SUP 0.02 HA ARG+ 71 - HB3 LYS+ 73 # SUP 0.02 HB3 SER 72 - HB3 LYS+ 76 # SUP 0.02 HA PHE 41 - HB2 LYS+ 80 # SUP 0.02 HA ARG+ 71 - HB3 LYS+ 76 # SUP 0.02 HA SER 72 - HB3 LYS+ 76 # SUP 0.02 HB2 LYS+ 80 - HA SER 83 # SUP 0.02 Upper HD3 LYS+ 76 - HD2 LYS+ 77 3.34 9 0.23 0.50 +++ + + ++* + # peak 715 # SUP 3.41 HD2 LYS+ 77 - HD3 LYS+ 80 # SUP 0.29 HG3 LYS+ 76 - HD2 LYS+ 77 # SUP 3.25 Upper HG2 GLN 81 - HB3 GLN 89 3.38 7 0.21 0.68 + ++ ++ * + # peak 723 # SUP 2.25 Upper HA GLU- 40 - HD3 LYS+ 80 3.99 19 0.49 0.74 +++++++*+ ++++++++++ # peak 727 # SUP 1.50 Upper HG LEU 45 - HB2 TYR 59 4.82 18 0.67 1.30 ++++++++*+ ++ ++++++ # peak 822 # SUP 1.34 HG LEU 45 - HB2 PHE 60 # SUP 0.19 HG LEU 45 - HD2 ARG+ 52 # SUP 0.02 Upper HB2 ARG+ 52 - QD2 LEU 54 2.84 7 0.28 0.93 ++ *+ ++ + # peak 907 # SUP 3.63 QD2 LEU 54 - HG2 LYS+ 67 # SUP 2.95 QD2 LEU 54 - HD2 LYS+ 76 # SUP 0.35 Upper HB2 LEU 54 - HB3 LEU 66 2.86 18 0.63 1.07 ++++++++++*+++++++ # peak 1109 # SUP 4.72 HB3 LEU 54 - HB3 LEU 66 # SUP 4.87 Upper HB2 ARG+ 52 - HB2 LEU 79 3.14 20 0.96 1.54 ++++++++++++*+++++++ # peak 1201 # SUP 6.44 Upper HA ARG+ 52 - HB2 LEU 79 4.70 13 0.44 1.17 + +++ ++*+ +++++ # peak 1210 # SUP 4.15 Upper HG LEU 45 - QD1 LEU 50 3.58 7 0.29 0.95 ++ + + ++ * # peak 1341 # SUP 2.96 Upper HA LEU 54 - HB3 LEU 66 3.67 20 0.72 1.19 ++++*+++++++++++++++ # peak 1346 # SUP 4.59 HB3 LEU 66 - HB THR 68 # SUP 3.00 HA ALA 55 - HB3 LEU 66 # SUP 2.53 Upper HA SER 72 - HB3 SER 72 2.40 6 0.18 0.53 + * ++ ++ # peak 1431 # SUP 2.31 Upper HA ARG+ 78 - HD2 ARG+ 78 3.90 9 0.27 0.65 + ++* + + + + + # peak 1459 # SUP 5.45 HA LEU 54 - HD2 ARG+ 78 # SUP 3.37 Upper HA ARG+ 78 - HD3 ARG+ 78 3.98 14 0.44 0.94 ++ +++++ *++ +++ + # peak 1460 # SUP 5.93 HA LEU 54 - HD3 ARG+ 78 # SUP 3.32 Upper HB3 HIS 69 - HB3 PHE 70 3.88 15 0.45 0.70 ++ +++*++++++ + + + # peak 1506 # SUP 6.38 HE3 LYS+ 67 - HB3 PHE 70 # SUP 2.05 HB3 PHE 70 - HB3 HIS 75 # SUP 0.26 Upper HB3 LEU 66 - HB3 PHE 70 4.53 8 0.25 0.72 +++ + + + +* # peak 1507 # SUP 3.58 HB3 LYS+ 67 - HB3 PHE 70 # SUP 2.17 Upper HN HIS 69 - HA PHE 70 4.50 20 0.42 0.46 +++++++*++++++++++++ # peak 1514 # SUP 5.98 Upper HG12 ILE 61 - HA ASN 65 4.85 19 0.45 0.62 ++++++++++ ++++++*++ # peak 1584 # SUP 1.62 Upper HB3 PHE 41 - QD1 LEU 50 4.42 10 0.37 1.19 + + ++ ++ + * ++ # peak 1610 # SUP 0.53 HB2 PHE 41 - QD1 LEU 50 # SUP 1.47 Upper HA LYS+ 76 - HB3 LEU 79 4.46 10 0.30 0.75 + * +++ + + ++ + # peak 1656 # SUP 2.25 Upper HA LEU 79 - HB2 LEU 82 4.61 8 0.26 0.64 + + ++ *+ ++ # peak 1678 # SUP 2.48 Upper HB2 ASP- 42 - HB3 LEU 45 4.83 6 0.12 0.52 *+ ++ + + # peak 1704 # SUP 5.52 HB2 ASP- 42 - HB2 LEU 50 # SUP 0.25 Upper QB ALA 55 - HB3 LEU 66 4.35 19 0.64 1.05 +++++++++++++++*++ + # peak 1721 # SUP 0.02 HB3 LEU 66 - HG2 ARG+ 78 # SUP 0.02 HB3 LEU 66 - HB2 LEU 79 # SUP 0.02 QB ALA 57 - HB3 LEU 66 # SUP 0.02 Upper HB2 ARG+ 52 - HB2 TYR 59 4.91 10 0.39 0.97 *++ + ++ +++ + # peak 1767 # SUP 2.66 HG LEU 50 - HB2 TYR 59 # SUP 0.97 Upper HB2 ARG+ 52 - HB3 TYR 59 4.82 12 0.47 1.05 +++ + + +* +++ ++ # peak 1768 # SUP 2.40 HG LEU 50 - HB3 TYR 59 # SUP 1.55 HB3 ASP- 44 - HG LEU 50 # SUP 0.36 Upper HA LEU 45 - HB2 TYR 59 4.88 7 0.28 0.88 ++ *+++ + # peak 1779 # SUP 2.53 Upper HA PHE 60 - HB3 ASN 65 3.56 20 1.05 1.48 +++++++++++++++++++* # peak 1781 # SUP 1.60 HA TYR 59 - HB3 ASN 65 # SUP 1.34 Upper HB2 PHE 41 - HG2 ARG+ 78 5.16 6 0.15 0.55 +++ +* + # peak 1835 # SUP 2.05 HB3 PHE 41 - HG2 LYS+ 77 # SUP 1.90 HB3 PHE 41 - HG2 ARG+ 78 # SUP 2.05 HB2 PHE 41 - HG2 LYS+ 77 # SUP 1.16 Upper HD3 ARG+ 52 - QE TYR 59 4.03 6 0.19 0.50 * ++ + + + # peak 1879 # SUP 3.00 HD3 ARG+ 52 - QE PHE 60 # SUP 1.41 Upper HA THR 68 - HA HIS 69 4.06 20 0.54 0.57 ++++*+++++++++++++++ # peak 1891 # SUP 4.19 Upper HA THR 68 - HB3 HIS 69 5.48 10 0.31 0.61 + ++ +++ +* ++ # peak 1892 # SUP 0.02 HB2 PHE 60 - HA THR 68 # SUP 0.02 HB3 ASP- 62 - HA THR 68 # SUP 0.02 HA THR 68 - HB3 HIS 75 # SUP 0.02 HB2 CYS 53 - HA THR 68 # SUP 0.02 Upper HA HIS 51 - HG LEU 66 3.90 9 0.37 0.96 ++ ++ + + *++ # peak 1897 # SUP 2.10 Upper HG LEU 66 - HN LYS+ 67 4.33 9 0.20 0.56 +++ + ++ + * + # peak 1903 # SUP 8.43 Upper QD1 LEU 66 - HZ PHE 70 4.43 10 0.29 0.76 + +++ ++* + + + # peak 1905 # SUP 4.13 Upper QD1 LEU 66 - HN HIS 69 4.01 20 0.84 1.43 ++++++++++++++++*+++ # peak 1910 # SUP 5.89 Upper HA GLU- 40 - HG2 LYS+ 77 4.32 17 0.52 0.91 +++++++++ ++ + +++*+ # peak 1931 # SUP 2.19 Upper HG3 ARG+ 52 - HB2 LEU 79 3.76 13 0.42 0.86 +++ + *++ ++++ + + # peak 1957 # SUP 5.78 HG3 ARG+ 52 - HG2 ARG+ 78 # SUP 0.32 Upper HA SER 63 - HB2 LEU 66 4.60 6 0.20 0.69 * + + + + + # peak 1966 # SUP 4.46 Upper HA LYS+ 67 - QE PHE 70 4.11 16 0.79 1.41 ++++ ++*+ ++++ +++ + # peak 1979 # SUP 6.47 Upper HD2 ARG+ 52 - HG LEU 79 4.21 10 0.29 0.73 + ++ + ++ +++ * # peak 1989 # SUP 1.11 HD2 ARG+ 58 - HG LEU 79 # SUP 0.58 Upper HN ALA 55 - HB3 CYS 56 5.00 9 0.31 0.50 ++*++ + +++ # peak 2010 # SUP 4.20 Upper HB2 CYS 56 - HB2 ARG+ 58 4.95 14 0.33 0.55 +++ + +++ +++*+ ++ # peak 2020 # SUP 3.97 Upper HB2 HIS 51 - HB2 LEU 66 4.69 10 0.33 0.87 + ++ +++ +++ * # peak 2029 # SUP 1.80 Upper HB3 HIS 51 - HB2 LEU 66 5.19 6 0.17 0.79 + * + +++ # peak 2032 # SUP 2.00 HB3 HIS 51 - QD1 LEU 54 # SUP 0.38 Upper QD1 LEU 45 - HD2 PRO 46 3.77 7 0.28 0.74 +++ + + *+ # peak 2055 # SUP 7.39 Upper QD1 LEU 45 - HD3 PRO 46 3.92 8 0.24 0.74 +++ * ++ + + # peak 2062 # SUP 7.21 Upper HA1 GLY 47 - HA1 GLY 49 4.02 17 0.75 1.25 ++++ ++ ++++*++ ++++ # peak 2077 # SUP 2.17 HA1 GLY 47 - HA ILE 61 # SUP 0.72 Upper HA LEU 79 - HG LEU 82 3.99 11 0.36 0.89 + ++++ + *+ + + + # peak 2175 # SUP 2.13 QD2 LEU 54 - HA LEU 79 # SUP 0.69 HA LEU 79 - QD2 LEU 82 # SUP 2.47 Upper HA LEU 66 - HA HIS 69 4.58 20 0.64 1.03 +++++++++++++++++++* # peak 2178 # SUP 2.25 Upper HB2 SER 72 - HE1 HIS 75 5.07 10 0.27 0.65 ++ + + *++ +++ # peak 49 # SUP 1.29 Upper HE1 HIS 75 - HD3 ARG+ 78 4.66 7 0.30 1.01 * + + + + ++ # peak 51 # SUP 1.04 HD3 ARG+ 71 - HE1 HIS 75 # SUP 0.86 Upper HB3 ASP- 74 - HE1 HIS 75 4.12 19 0.72 1.44 +++++++++++++++++* + # peak 52 # SUP 1.58 HB2 CYS 53 - HE1 HIS 75 # SUP 0.02 HB2 PHE 60 - HE1 HIS 75 # SUP 0.02 Upper HG3 ARG+ 71 - HE1 HIS 75 4.56 15 0.51 1.20 +++ +++ *++++ ++++ # peak 54 # SUP 0.77 HE1 HIS 75 - HB2 ARG+ 78 # SUP 0.83 HB3 LEU 66 - HE1 HIS 75 # SUP 0.02 HE1 HIS 75 - HB3 LYS+ 77 # SUP 1.41 Upper HA2 GLY 49 - QD TYR 59 3.95 13 0.46 1.03 ++++ +++ + + ++*+ # peak 86 # SUP 2.47 Upper QD1 LEU 45 - QD TYR 59 4.43 7 0.25 0.88 ++* + + + + # peak 93 # SUP 3.69 QD TYR 59 - QD1 LEU 79 # SUP 1.26 Upper HB3 TYR 59 - QD PHE 60 3.81 18 0.55 1.13 +++++++ +++++++++ *+ # peak 109 # SUP 5.04 QD PHE 60 - HB2 HIS 69 # SUP 1.32 Upper QD PHE 60 - HB3 LEU 66 4.99 9 0.17 0.43 ++* + ++ + + + # peak 110 # SUP 3.19 Upper HG LEU 66 - QD PHE 70 4.29 13 0.49 0.93 ++++ +++ +*+ + + + # peak 139 # SUP 3.01 Upper QD1 LEU 66 - QD PHE 70 4.27 11 0.32 0.76 *++++ +++ + + + # peak 141 # SUP 4.49 Upper HN LEU 66 - QE PHE 70 4.08 6 0.26 0.60 + + + + * + # peak 166 # SUP 3.56 Upper HA PHE 70 - HZ PHE 70 5.10 20 0.92 1.10 +++++++*++++++++++++ # peak 178 # SUP 4.82 HA LYS+ 67 - HZ PHE 70 # SUP 4.97 Upper HA1 GLY 49 - QE TYR 59 4.27 6 0.18 0.51 + + + + + * # peak 219 # SUP 3.90 Upper HA2 GLY 49 - QE TYR 59 4.36 10 0.32 0.73 ++++ + + * + + + # peak 220 # SUP 3.90 Angle PHI PHE 41 238.00 286.00 12 8.68 26.66 ++++ +++ ++ * ++ Angle PSI PHE 41 114.00 136.00 12 6.22 15.81 ++++++*+ + + ++ Angle PSI ASP- 42 118.00 152.00 9 6.00 29.00 +++ + * + + + + Angle PSI PRO 46 122.00 150.00 7 5.40 23.50 * + + + + + + Angle PHI HIS 51 235.00 277.00 6 4.09 17.77 ++++ +* Angle PSI HIS 51 112.00 150.00 6 3.53 11.10 + + ++ + * Angle PHI CYS 53 265.00 307.00 8 4.38 15.80 +++ * + + + + Angle PHI ALA 55 283.00 303.00 18 11.44 18.14 +++++*++++++++ +++ + Angle PSI ALA 55 318.00 342.00 11 5.27 14.41 + + + ++++++ + * Angle PHI ARG+ 58 210.00 254.00 20 16.41 22.54 +++++++++++++*++++++ Angle PSI ARG+ 58 142.00 170.00 7 4.38 23.06 + + +* + + + Angle PHI TYR 59 206.00 254.00 7 4.05 10.40 + + + *++ + Angle PSI PHE 60 142.00 176.00 8 4.01 13.24 + *++ ++ ++ Angle PSI THR 64 309.00 329.00 18 11.12 22.67 +++++++++*++++++++ Angle PHI ASN 65 287.00 307.00 7 3.61 9.77 + +*++ ++ Angle PHI LEU 66 285.00 305.00 14 9.61 21.68 + + +*++++++++ ++ Angle PSI LEU 66 307.00 327.00 9 3.95 11.70 +++ + ++ + * + Angle PHI THR 68 284.00 304.00 8 4.60 11.39 ++ + +* +++ Angle PSI THR 68 309.00 329.00 17 8.10 13.60 ++++*++++++++ ++ ++ Angle PHI HIS 69 285.00 305.00 20 13.36 20.26 +++++++++++++++++++* Angle PHI PHE 70 266.00 302.00 20 16.01 23.88 +++*++++++++++++++++ Angle PSI PHE 70 329.00 5.00 16 6.86 12.27 ++++++++ *++ + ++++ Angle PSI LYS+ 73 314.00 334.00 8 3.23 10.10 * + + +++ ++ Angle PHI ASP- 74 285.00 305.00 10 4.05 11.56 + + ++ +*++ ++ Angle PHI HIS 75 286.00 306.00 13 6.56 11.64 + +++ +++ +*++ ++ Angle PSI LYS+ 76 310.00 330.00 16 9.24 18.79 ++ +++ ++ + +++*++++ Angle PHI LYS+ 77 285.00 305.00 14 8.90 17.20 + ++++++ + +++*+ + Angle PSI LYS+ 77 308.00 328.00 13 8.15 15.63 + +++ ++ ++*++ ++ Angle PHI ARG+ 78 287.00 307.00 12 8.02 18.22 + ++ ++ ++++* ++ Angle PSI ARG+ 78 312.00 332.00 7 5.76 20.51 * ++ +++ + Angle PHI LEU 79 285.00 305.00 6 3.65 12.25 *+ + + + + Angle PSI LEU 79 310.00 330.00 16 10.36 23.78 + +++++++ ++++ ++ +* Angle PHI LYS+ 80 286.00 306.00 11 6.60 15.43 + ++ ++++ + + +* Angle PHI GLN 81 282.00 302.00 16 6.89 12.77 ++++++++ +++++ +* + Angle PSI GLN 89 305.00 355.00 9 3.38 8.60 * + ++ + ++ + + Angle PHI GLU- 90 283.00 303.00 9 3.65 9.67 * + ++ ++ ++ + 101 violated distance constraints. 36 violated angle constraints. RMSDs for residues 40..82: Average backbone RMSD to mean : 1.03 +/- 0.60 A (0.64..3.40 A) Average heavy atom RMSD to mean : 1.64 +/- 0.59 A (1.25..4.00 A)