Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 14.89 79 24.9 0.75 12 15.6 0.40 15 178.2 13.28 2 15.52 89 26.0 1.09 17 18.8 0.33 14 162.1 14.42 3 15.52 88 25.8 0.91 12 16.8 0.31 11 165.0 16.22 4 15.86 80 25.3 0.75 15 16.8 0.45 14 188.4 17.19 5 16.21 89 27.5 0.79 18 18.0 0.31 15 168.5 13.23 6 16.30 80 26.5 0.77 12 18.1 0.35 16 183.3 14.95 7 16.52 97 28.5 0.68 15 17.2 0.44 14 171.8 14.55 8 16.53 98 27.7 0.85 16 17.0 0.37 15 184.5 18.04 9 16.64 85 26.5 0.60 18 19.2 0.43 20 236.4 14.00 10 17.11 81 26.7 0.83 18 19.7 0.34 12 174.9 15.99 11 17.79 98 29.5 0.85 14 18.3 0.42 16 180.7 13.51 12 17.82 78 27.3 0.89 16 19.1 0.40 17 200.9 17.64 13 17.92 76 25.2 0.82 20 19.6 0.56 18 192.2 13.94 14 17.96 82 27.7 0.94 15 16.8 0.46 13 158.2 16.22 15 18.02 99 29.0 0.82 17 19.5 0.42 16 191.1 16.33 16 18.02 92 27.7 0.85 22 18.0 0.46 14 180.2 18.44 17 18.07 81 27.0 0.69 20 20.0 0.40 14 192.0 17.87 18 18.12 88 27.9 0.79 24 18.9 0.50 16 183.2 13.79 19 18.26 91 28.0 0.83 21 20.4 0.45 14 176.7 16.54 20 18.31 78 26.9 0.91 17 18.7 0.44 16 202.2 18.83 Ave 17.07 86 27.1 0.82 17 18.3 0.41 15 183.5 15.75 +/- 1.06 7 1.2 0.10 3 1.3 0.06 2 16.8 1.80 Min 14.89 76 24.9 0.60 12 15.6 0.31 11 158.2 13.23 Max 18.31 99 29.5 1.09 24 20.4 0.56 20 236.4 18.83 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 HA ARG+ 94 - HN ALA 95 3.38 20 0.16 0.21 ++++++++++++++*+++++ # peak 55 # SUP 2.21 Upper HN TYR 101 - HN VAL 102 4.50 10 0.08 0.14 + + *+ +++ ++ + # peak 86 # SUP 2.99 Upper HA ALA 95 - HN ALA 96 3.46 12 0.11 0.18 +++*++ +++ ++ + # peak 124 # SUP 2.60 Upper HB3 GLU- 93 - HN ARG+ 94 3.93 8 0.07 0.17 * + + + + + ++ # peak 173 # SUP 4.39 Upper HG2 GLN 81 - HN GLU- 90 4.70 10 0.11 0.29 + + +++* + + ++ # peak 209 # SUP 1.84 Upper HA PRO 86 - HN TYR 87 3.15 10 0.15 0.39 + + + +* ++ ++ + # peak 251 # SUP 3.20 Upper HG3 PRO 37 - HN GLU- 40 3.71 9 0.09 0.27 + ++++ +* + + # peak 272 # SUP 0.99 Upper QB ALA 92 - HN GLU- 93 3.57 20 0.21 0.22 +++++++++++++++++*++ # peak 297 # SUP 3.19 Upper HN ASP- 74 - HG3 LYS+ 76 4.85 14 0.19 0.45 ++ + +++ +++ ++++* # peak 310 # SUP 2.50 HN ASP- 74 - HD3 LYS+ 76 # SUP 2.05 Upper HN LEU 54 - HG LEU 54 4.40 19 0.16 0.24 ++++++++++++++ +*+++ # peak 392 # SUP 6.32 Upper HN LYS+ 73 - HB3 LYS+ 77 4.58 10 0.20 0.61 + ++++ * + + ++ # peak 407 # SUP 0.91 HG3 ARG+ 71 - HN LYS+ 73 # SUP 1.70 HN LYS+ 73 - HB2 ARG+ 78 # SUP 0.63 Upper QD2 LEU 50 - HN HIS 51 4.91 8 0.14 0.44 + * + + + + + + # peak 437 # SUP 6.78 Upper HN ILE 61 - HB2 ASN 65 5.14 7 0.07 0.22 ++ +* ++ + # peak 464 # SUP 2.36 HB3 CYS 53 - HN ILE 61 # SUP 0.55 Upper HN HIS 69 - HB3 PHE 70 4.77 20 0.37 0.51 *+++++++++++++++++++ # peak 491 # SUP 5.08 Upper HN HIS 69 - HZ PHE 70 4.97 20 0.49 0.64 ++++++++++++++++*+++ # peak 495 # SUP 4.94 Upper HA PHE 41 - HN ASP- 42 3.35 8 0.11 0.29 ++ + ++ ++ * # peak 496 # SUP 3.90 Upper HN HIS 75 - HG2 ARG+ 78 4.97 13 0.14 0.43 + ++ + ++*++ + + ++ # peak 530 # SUP 1.83 HN HIS 75 - HG2 LYS+ 77 # SUP 2.93 Upper HG3 ARG+ 78 - HN LYS+ 80 3.94 17 0.22 0.63 +++++++ + +*++ +++++ # peak 551 # SUP 3.48 HG3 PRO 43 - HN LYS+ 80 # SUP 0.36 Upper HG2 LYS+ 77 - HN LEU 79 3.76 20 0.65 0.91 ++*+++++++++++++++++ # peak 578 # SUP 2.81 Upper HN LEU 79 - HG LEU 79 3.81 20 0.44 0.66 ++++++++++++++*+++++ # peak 585 # SUP 7.69 Upper HN LEU 79 - HD2 LYS+ 80 3.90 7 0.09 0.27 +++ + + *+ # peak 588 # SUP 4.59 HN LEU 79 - HG2 LYS+ 80 # SUP 6.15 HN LEU 79 - HG3 LYS+ 80 # SUP 6.16 Upper HG3 ARG+ 71 - HN SER 72 4.25 19 0.17 0.22 +++++++++++ ++++*+++ # peak 626 # SUP 5.07 Upper HN ARG+ 58 - HG3 ARG+ 58 3.99 15 0.27 0.60 +++*++++ ++ ++ +++ # peak 651 # SUP 4.67 Upper HG LEU 54 - HN SER 83 4.23 19 0.33 0.60 +++++++*+++ ++++++++ # peak 667 # SUP 0.99 HN SER 83 - HB3 GLU- 85 # SUP 0.23 Upper HN GLY 48 - HA1 GLY 49 4.42 8 0.16 0.48 ++ + * + ++ + # peak 694 # SUP 3.20 HN GLY 48 - HA ILE 61 # SUP 0.45 Upper HN LEU 66 - HG LEU 66 4.34 10 0.11 0.30 +++ ++* ++ + + # peak 719 # SUP 7.78 Upper HN LEU 66 - HG2 LYS+ 67 4.99 11 0.10 0.29 + ++ +*+++ + + + # peak 725 # SUP 5.40 Upper HB3 PHE 41 - HN ARG+ 52 4.99 14 0.23 0.55 ++ +++*+ ++++ + + + # peak 745 # SUP 2.12 HB2 PHE 41 - HN ARG+ 52 # SUP 0.70 Upper HN ARG+ 52 - HA TYR 59 4.76 10 0.18 0.65 + +++++ ++ * + # peak 746 # SUP 0.69 HN ARG+ 52 - HA PHE 60 # SUP 0.52 Upper HN CYS 53 - QE PHE 60 4.41 7 0.07 0.24 + + +++ +* # peak 758 # SUP 4.84 Upper HN CYS 53 - QD PHE 60 4.57 6 0.05 0.21 +++ + * + # peak 763 # SUP 0.75 Upper HN ARG+ 78 - HG3 ARG+ 78 3.84 6 0.11 0.54 + + ++ +* # peak 767 # SUP 7.63 Upper HN LEU 45 - HD2 PRO 46 4.65 17 0.24 0.39 +++++++++++++ ++*+ # peak 786 # SUP 6.24 Upper HG LEU 54 - HN ALA 55 4.66 12 0.14 0.36 +++*++ + ++ + ++ # peak 799 # SUP 6.50 Upper HN ASP- 44 - HG LEU 45 4.84 16 0.30 0.70 *++++++ +++ ++ ++++ # peak 844 # SUP 3.78 Upper HA PRO 46 - HN GLY 49 5.17 12 0.22 0.56 * + +++ + ++++ ++ # peak 871 # SUP 2.06 Upper HN ASP- 62 - HB2 ASN 65 4.47 15 0.15 0.29 +++ +*++++++ + +++ # peak 880 # SUP 2.96 Upper QG2 VAL 84 - HN GLU- 85 4.05 7 0.11 0.39 + +* + ++ + # peak 906 # SUP 3.00 Upper HN GLU- 91 - HG2 GLU- 93 4.13 9 0.11 0.27 ++++ + ++ * + # peak 941 # SUP 1.11 Upper HN ALA 95 - HA ALA 96 4.21 16 0.14 0.21 + +++ +++*+++++ +++ # peak 970 # SUP 1.00 HN ALA 92 - HA ALA 96 # SUP 0.74 Upper HB3 LEU 45 - HN GLY 48 5.32 11 0.20 0.56 + + ++++++ + *+ # peak 1478 # SUP 4.37 HN GLY 48 - HB3 LEU 50 # SUP 2.17 Upper HA LYS+ 80 - HA VAL 84 3.56 7 0.09 0.45 ++ ++ + +* # peak 108 # SUP 2.45 HA GLN 81 - HA VAL 84 # SUP 1.88 Upper HA LYS+ 80 - HE3 LYS+ 80 5.50 10 0.11 0.37 + ++* ++ ++++ # peak 216 # SUP 4.99 Upper HA LYS+ 80 - HD3 LYS+ 80 4.25 16 0.19 0.44 * ++++++++++ ++ +++ # peak 218 # SUP 5.13 Upper HB3 GLN 81 - HA GLN 89 3.95 10 0.10 0.24 +++ *+ ++ +++ # peak 264 # SUP 1.18 Upper HB3 ASP- 42 - HD3 PRO 43 4.34 8 0.13 0.54 + + *+ + +++ # peak 393 # SUP 3.76 Upper HB3 PRO 37 - HD2 PRO 43 3.72 7 0.17 0.80 + + ++ +* + # peak 398 # SUP 3.49 Upper HB3 PRO 37 - HD3 PRO 43 3.70 7 0.12 0.45 + + + + * + + # peak 408 # SUP 4.99 Upper HG3 PRO 37 - HD3 PRO 43 3.01 9 0.12 0.45 + + + + + + *++ # peak 410 # SUP 2.88 HD3 PRO 43 - HB2 LYS+ 80 # SUP 0.76 Upper HB3 GLU- 93 - HG2 GLU- 93 2.40 8 0.09 0.32 + + ++ + ++ * # peak 570 # SUP 3.39 HB3 GLU- 90 - HG2 GLU- 93 # SUP 1.15 Upper HB3 SER 72 - HB3 LYS+ 73 3.19 20 0.46 0.66 *+++++++++++++++++++ # peak 638 # SUP 0.02 HA SER 72 - HB3 LYS+ 73 # SUP 0.02 HA ARG+ 71 - HB3 LYS+ 76 # 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 SER 72 - HB3 LYS+ 76 # SUP 0.02 Upper HD3 LYS+ 76 - HD2 LYS+ 77 3.48 10 0.14 0.47 ++ * ++ + ++ ++ # peak 715 # SUP 3.04 HG3 LYS+ 76 - HD2 LYS+ 77 # SUP 3.64 HD2 LYS+ 77 - HD3 LYS+ 80 # SUP 0.13 Upper HD3 LYS+ 80 - HA ALA 96 4.15 7 0.07 0.24 + +++ + + * # peak 727 # SUP 2.40 Upper HG3 PRO 37 - HG3 PRO 43 2.40 14 0.27 0.85 + +++++++ ++* +++ # peak 765 # SUP 2.65 HG3 PRO 43 - HB2 LYS+ 80 # SUP 0.31 Upper HG LEU 45 - HD2 ARG+ 52 5.02 6 0.06 0.28 * +++ + + # peak 822 # SUP 0.74 HG LEU 45 - HB2 TYR 59 # SUP 1.33 Upper HG2 LYS+ 80 - HA VAL 84 4.10 8 0.09 0.32 +++* + ++ + # peak 868 # SUP 1.25 HG3 LYS+ 80 - HA VAL 84 # SUP 0.74 HG2 LYS+ 80 - HA GLN 89 # SUP 0.83 HG3 LYS+ 80 - HA GLN 89 # SUP 0.84 Upper HD2 PRO 46 - HB2 ARG+ 52 4.31 8 0.07 0.23 + + * ++ +++ # peak 956 # SUP 0.75 Upper HG LEU 45 - QD2 LEU 50 3.89 17 0.31 0.82 ++++++ +++ +*+++++ + # peak 1260 # SUP 3.00 Upper HG LEU 45 - QD1 LEU 50 3.73 18 0.44 0.75 +++*++++ ++++++++ ++ # peak 1341 # SUP 3.83 Upper HN HIS 69 - HA PHE 70 4.69 20 0.34 0.39 +++++++++*++++++++++ # peak 1514 # SUP 5.47 Upper HB2 ARG+ 58 - HZ PHE 60 5.50 9 0.15 0.46 +++ + * ++ + + # peak 1530 # SUP 1.88 Upper HA TYR 87 - HB3 GLU- 91 4.22 8 0.12 0.33 + + *+ + + ++ # peak 1534 # SUP 2.45 Upper HA PHE 60 - HB ILE 61 4.89 20 0.64 0.75 +++++++++++*++++++++ # peak 1577 # SUP 5.81 Upper HA PHE 60 - HG13 ILE 61 5.34 11 0.09 0.19 +*+ ++++++ + + # peak 1588 # SUP 5.91 Upper HB3 PHE 41 - HN LEU 50 4.08 16 0.25 0.85 ++ +++*+ + ++++++++ # peak 1616 # SUP 3.56 HB2 PHE 41 - HN LEU 50 # SUP 1.90 Upper HB3 LEU 66 - HA LYS+ 67 4.25 10 0.17 0.42 + + + ++++* + + # peak 1644 # SUP 7.44 HA SER 63 - HB3 LEU 66 # SUP 3.80 Upper HG LEU 66 - HA LYS+ 67 4.03 7 0.09 0.33 + +* ++ + + # peak 1647 # SUP 7.47 HA SER 63 - HG LEU 66 # SUP 3.69 Upper HG LEU 54 - HA LEU 82 3.51 8 0.10 0.47 +++ ++ * + + # peak 1682 # SUP 3.22 Upper HB3 PHE 60 - HB2 ASN 65 4.59 8 0.09 0.38 ++ + ++ * ++ # peak 1699 # SUP 2.93 Upper HB3 PRO 46 - HB3 TYR 59 5.06 6 0.07 0.32 + +++ + * # peak 1770 # SUP 2.00 Upper HD2 ARG+ 58 - HB3 TYR 59 3.42 15 0.18 0.36 + + ++*++++ +++ +++ # peak 1773 # SUP 5.74 Upper HA LEU 45 - HB2 TYR 59 5.09 19 0.40 0.81 +++++++++++++*+ ++++ # peak 1779 # SUP 1.07 Upper HN GLU- 90 - HG2 GLU- 93 4.06 8 0.09 0.49 + ++* + + ++ # peak 1840 # SUP 1.03 Upper HD3 ARG+ 52 - QE TYR 59 4.20 11 0.13 0.32 *++++ ++ +++ + # peak 1879 # SUP 3.75 HD3 ARG+ 52 - QE PHE 60 # SUP 3.83 Upper HA THR 68 - HA HIS 69 4.23 20 0.42 0.46 +++++*++++++++++++++ # peak 1891 # SUP 4.38 Upper HA THR 68 - HB3 HIS 69 5.50 11 0.14 0.29 ++++++* ++ + + # peak 1892 # SUP 4.41 Upper HB2 PHE 60 - HG LEU 66 4.79 11 0.12 0.31 +++ +++ ++ * ++ # peak 1895 # SUP 4.06 HG LEU 66 - HB2 HIS 69 # SUP 3.70 Upper HA HIS 51 - HG LEU 66 4.06 15 0.19 0.43 + + + +++*+++ ++ +++ # peak 1897 # SUP 2.21 Upper HG LEU 66 - QD PHE 70 4.12 9 0.12 0.59 + + + ++++ *+ # peak 1902 # SUP 3.97 HG LEU 66 - HN HIS 69 # SUP 6.10 Upper QD PHE 60 - QD1 LEU 66 3.87 10 0.20 0.58 + + + ++*++ + + # peak 1908 # SUP 6.42 Upper HG2 ARG+ 52 - QE TYR 59 5.44 13 0.17 0.40 + ++++*++ + + + ++ # peak 1913 # SUP 5.62 HG2 ARG+ 52 - QE PHE 60 # SUP 3.92 Upper HN ASP- 44 - HG LEU 79 4.71 17 0.28 0.61 +++++++ +++ +++++*+ # peak 1920 # SUP 1.94 Upper HD3 PRO 46 - HG LEU 79 4.19 19 0.44 0.78 ++++*++++ ++++++++++ # peak 1951 # SUP 1.06 HD3 ARG+ 78 - HG LEU 79 # SUP 3.97 Upper HA SER 63 - HB2 LEU 66 4.79 6 0.05 0.25 + + + *+ + # peak 1966 # SUP 4.11 Upper HA SER 63 - HG LEU 66 4.44 9 0.17 0.62 +++ +++ +* + # peak 1967 # SUP 3.69 Upper HB3 ASP- 42 - QD2 LEU 45 4.43 6 0.10 0.48 + + + + +* # peak 1995 # SUP 5.90 Upper QD2 LEU 45 - HA2 GLY 49 4.52 11 0.24 0.60 +++ + +*+ ++ + + # peak 1998 # SUP 2.43 Upper HB3 HIS 51 - HB2 LEU 66 5.40 6 0.04 0.18 + + * + + + # peak 2032 # SUP 2.00 Upper HN LYS+ 77 - HG3 ARG+ 78 4.49 7 0.10 0.48 + ++ + + * + # peak 2045 # SUP 3.99 HG3 PRO 43 - HN ASP- 44 # SUP 4.04 HG2 PRO 37 - HN ASP- 44 # SUP 1.86 Upper QD1 LEU 45 - HD2 PRO 46 3.92 8 0.12 0.77 +++ *+ + ++ # peak 2055 # SUP 7.39 Upper QD1 LEU 45 - HD3 PRO 46 4.09 10 0.18 0.47 + + ++ + ++*++ # peak 2062 # SUP 7.21 Upper HA2 GLY 49 - QD TYR 59 4.59 11 0.31 0.94 ++ +++ + *++ ++ # peak 2082 # SUP 2.00 Upper HA2 GLY 48 - HN LEU 50 4.98 15 0.25 0.62 +* + ++ +++++ +++++ # peak 2085 # SUP 2.72 Upper QD2 LEU 45 - HA1 GLY 49 4.28 9 0.15 0.54 +++ + + *+ + + # peak 2095 # SUP 4.90 Upper HN LEU 50 - QD2 LEU 50 4.16 14 0.20 0.69 + +++++ + ++++* ++ # peak 2104 # SUP 6.23 Upper QD1 ILE 61 - HA ASP- 62 4.62 8 0.10 0.33 + + + ++ + * + # peak 2160 # SUP 4.97 Upper HA LEU 66 - HA HIS 69 4.77 20 0.39 0.83 ++++++++++++++++++*+ # peak 2178 # SUP 2.25 Upper HA LYS+ 73 - HN ARG+ 78 4.42 8 0.11 0.39 + ++++ * ++ # peak 2185 # SUP 1.92 Upper HA LYS+ 73 - HG2 LYS+ 77 4.23 20 0.43 0.83 +++++++*++++++++++++ # peak 2187 # SUP 5.05 Upper HN GLN 81 - HG2 GLN 81 4.32 6 0.06 0.24 + * ++ + + # peak 2213 # SUP 5.30 Upper HB2 CYS 53 - QD1 LEU 66 4.68 7 0.13 0.51 * + ++++ + # peak 2235 # SUP 3.87 Upper HB2 CYS 53 - QD PHE 70 5.50 7 0.09 0.35 *+ +++ + + # peak 2248 # SUP 4.08 Upper HA CYS 56 - HE1 HIS 75 5.33 9 0.09 0.38 ++* +++ ++ + # peak 49 # SUP 0.76 HB2 SER 72 - HE1 HIS 75 # SUP 0.71 Upper HB2 CYS 53 - HE1 HIS 75 4.33 8 0.10 0.40 +* +++ + + + # peak 52 # SUP 0.14 HB3 ASP- 74 - HE1 HIS 75 # SUP 1.95 Upper HD2 ARG+ 58 - QD TYR 59 3.71 19 0.35 0.76 +*++++++++++++ +++++ # peak 88 # SUP 5.61 HB2 CYS 53 - QD TYR 59 # SUP 2.68 Upper QD PHE 60 - HN ASN 65 4.73 10 0.15 0.37 + + + ++++* + + # peak 116 # SUP 3.16 Upper QE PHE 60 - HN LEU 66 4.38 16 0.15 0.27 ++*+++ ++++ ++++++ # peak 148 # SUP 3.18 Upper QE PHE 60 - HG LEU 66 4.54 10 0.11 0.33 +++ +++ ++ * + # peak 157 # SUP 3.88 QE PHE 60 - QD1 ILE 61 # SUP 4.65 Upper HN LEU 66 - QE PHE 70 4.29 20 0.52 0.60 ++++++++++++*+++++++ # peak 166 # SUP 3.03 Upper HA LYS+ 67 - QE PHE 70 3.66 12 0.27 0.51 + + + ++*++++++ # peak 170 # SUP 8.07 HA PHE 70 - QE PHE 70 # SUP 5.33 Upper HA LYS+ 67 - HZ PHE 70 5.40 12 0.16 0.43 + + + +++++*+++ # peak 178 # SUP 6.06 HA PHE 70 - HZ PHE 70 # SUP 4.59 HA THR 68 - HZ PHE 70 # SUP 4.10 Upper HG LEU 50 - QE TYR 59 4.83 7 0.08 0.39 + + * + + + + # peak 223 # SUP 2.56 HB2 ARG+ 52 - QE TYR 59 # SUP 6.86 Upper HG2 ARG+ 52 - QE TYR 59 5.11 10 0.15 0.52 * + +++ + +++ + # peak 225 # SUP 5.62 HB3 LEU 50 - QE TYR 59 # SUP 3.50 Upper QD1 LEU 50 - QE TYR 59 4.98 6 0.09 0.40 + + * + + + # peak 227 # SUP 2.40 Upper QD1 LEU 45 - QE TYR 59 4.27 10 0.28 0.91 +++ + + + + + + * # peak 228 # SUP 2.00 Angle PSI HIS 51 112.00 150.00 12 5.73 17.87 ++ + ++ + +++ *++ Angle PHI ARG+ 52 206.00 254.00 7 3.14 8.72 +++ + + * + Angle PHI CYS 53 265.00 307.00 7 4.29 11.70 +++ + +* + Angle PHI LEU 54 289.00 309.00 9 4.88 10.24 +++ + +++ + * Angle PHI THR 64 280.00 300.00 9 4.32 10.12 * + + + ++ ++ + Angle PSI THR 64 309.00 329.00 8 6.08 16.33 + + + ++ * + + Angle PSI ASN 65 309.00 335.00 9 4.91 12.50 + + + ++++ * + Angle PHI LEU 66 285.00 305.00 12 6.13 14.38 ++ ++ ++++++ * + Angle PHI LYS+ 67 285.00 305.00 7 3.58 9.89 ++ +*+ ++ Angle PSI THR 68 309.00 329.00 20 10.50 14.95 +++++*++++++++++++++ Angle PHI HIS 69 285.00 305.00 12 5.67 10.52 * + + +++++++++ Angle PHI PHE 70 266.00 302.00 12 5.11 16.54 + + + +++++++*+ Angle PSI PHE 70 329.00 5.00 20 8.26 10.20 ++++++++++*+++++++++ Angle PSI ASP- 74 308.00 328.00 7 3.64 12.36 ++ ++* ++ Angle PHI HIS 75 286.00 306.00 20 12.23 18.04 +++++++*++++++++++++ Angle PSI LYS+ 76 310.00 330.00 15 5.75 9.36 ++++ + +++ ++ *++++ Angle PSI LYS+ 77 308.00 328.00 19 12.89 18.83 ++++ ++++++++++++++* Angle PHI ARG+ 78 287.00 307.00 19 9.96 14.31 ++++ ++++++++*++++++ Angle PSI ARG+ 78 312.00 332.00 17 7.88 12.27 ++++++ ++++++ +*+++ Angle PHI LEU 79 285.00 305.00 12 6.45 14.52 + *++ + ++ +++++ Angle PSI LEU 79 310.00 330.00 6 3.48 9.78 ++ *+ ++ 115 violated distance constraints. 21 violated angle constraints. RMSDs for residues 40..82: Average backbone RMSD to mean : 0.83 +/- 0.14 A (0.62..1.22 A) Average heavy atom RMSD to mean : 1.47 +/- 0.13 A (1.23..1.71 A)