Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 40.92 50 41.6 1.43 23 30.0 0.58 37 558.8 27.85 2 45.41 52 42.2 1.54 30 28.1 0.53 25 434.6 37.50 3 47.44 55 45.0 1.38 34 29.8 0.44 32 487.1 25.84 4 49.62 53 43.4 1.38 46 34.8 0.75 28 410.4 30.66 5 50.09 46 42.0 1.53 38 30.0 0.57 33 499.1 36.50 6 52.70 65 50.2 1.52 48 34.6 0.47 30 480.0 28.78 7 54.80 60 49.2 1.54 29 28.8 0.61 38 550.6 38.66 8 55.78 61 47.5 1.48 44 37.5 0.65 44 599.5 26.77 9 55.79 68 49.2 1.71 60 42.7 0.64 34 490.7 33.80 10 57.44 54 44.7 1.64 55 37.0 0.63 29 478.8 25.36 11 58.08 68 51.5 1.47 50 39.2 0.55 36 543.4 38.87 12 58.74 56 47.0 1.34 54 37.9 0.76 24 413.4 42.72 13 59.27 65 48.9 1.95 42 32.3 0.58 40 562.8 47.18 14 59.40 58 47.2 1.79 49 39.1 0.55 40 586.7 30.61 15 59.69 61 50.4 1.71 48 32.8 0.65 30 508.2 29.98 16 60.76 67 50.7 1.50 76 43.2 0.60 32 477.5 33.48 17 61.26 65 50.3 1.45 46 32.4 0.51 33 532.1 28.58 18 62.19 64 47.2 1.59 48 37.7 0.75 29 535.0 41.70 19 62.43 63 51.7 1.93 54 39.4 0.60 32 429.5 27.81 20 61.81 64 50.4 1.45 45 35.6 0.63 37 640.5 43.44 Ave 55.68 60 47.5 1.57 46 35.2 0.60 33 510.9 33.80 +/- 5.97 6 3.2 0.17 11 4.4 0.08 5 61.4 6.43 Min 40.92 46 41.6 1.34 23 28.1 0.44 24 410.4 25.36 Max 62.43 68 51.7 1.95 76 43.2 0.76 44 640.5 47.18 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 HA1 GLY 58 - QG2 VAL 62 4.77 7 0.25 0.61 * + + + + ++ # peak 139 # SUP 1.16 QG1 VAL 47 - HD3 PRO 52 # SUP 0.92 Upper HD3 PRO 52 - QG2 THR 96 3.93 15 0.61 1.39 +++ +*++ ++ +++++ + # peak 172 # SUP 1.43 HD3 PRO 52 - QG2 THR 95 # SUP 3.48 Upper HA ARG+ 53 - QB ALA 103 4.00 16 0.60 1.16 +++ +++++ ++*+ ++++ # peak 187 # SUP 1.17 HD3 PRO 52 - QB ALA 103 # SUP 4.06 QB ALA 103 - HA VAL 105 # SUP 0.67 Upper HA VAL 73 - HN VAL 94 3.62 7 0.26 1.48 ++ ++ * + + # peak 287 # SUP 4.16 HA VAL 73 - HN VAL 105 # SUP 0.67 Upper HD3 PRO 52 - HA VAL 73 3.94 12 0.44 1.30 +*+ + ++ ++++++ # peak 301 # SUP 4.06 HA VAL 73 - HB3 PRO 104 # SUP 1.43 HA VAL 73 - HB3 GLU- 75 # SUP 0.87 HA VAL 73 - HG2 PRO 104 # SUP 1.74 Upper HD3 PRO 52 - HA VAL 73 3.96 15 0.62 1.38 ++*+++ + ++ ++++++ # peak 376 # SUP 4.06 HA VAL 73 - HB3 SER 77 # SUP 0.69 HA VAL 73 - HB THR 95 # SUP 1.39 Upper HD3 PRO 52 - HA VAL 73 4.94 8 0.43 1.79 ++ ++ + * ++ # peak 384 # SUP 4.06 HD2 PRO 52 - HA VAL 73 # SUP 0.75 Upper HD3 PRO 52 - HA VAL 94 4.85 10 0.36 0.95 +*++ + + + ++ + # peak 446 # SUP 3.22 Upper HD3 PRO 52 - HA VAL 94 3.57 11 0.51 1.59 + + ++++ ++ *++ # peak 526 # SUP 3.22 HA VAL 73 - HA VAL 94 # SUP 3.74 Upper HA PRO 52 - QB ALA 103 3.67 9 0.31 0.99 + + ++ *+ +++ # peak 587 # SUP 1.63 HD3 PRO 52 - QB ALA 103 # SUP 4.06 HA VAL 73 - QB ALA 103 # SUP 0.88 HA GLU- 54 - QB ALA 103 # SUP 1.27 HA GLU- 56 - QB ALA 103 # SUP 0.45 HA GLU- 18 - QB ALA 103 # SUP 0.17 Upper HD3 PRO 52 - QB ALA 103 3.50 9 0.32 1.07 + + + ++ *+ + + # peak 719 # SUP 4.06 HA LEU 17 - QB ALA 103 # SUP 0.82 HA LYS+ 55 - QB ALA 103 # SUP 0.72 HA VAL 73 - QB ALA 103 # SUP 0.88 Upper HD3 PRO 52 - QG2 ILE 101 4.51 15 0.47 1.10 ++++ + ++ ++++*+++ # peak 760 # SUP 3.00 Upper HD3 PRO 52 - HA ARG+ 53 3.85 20 0.80 1.35 +*++++++++++++++++++ # peak 938 # SUP 4.96 HA ARG+ 53 - HB3 GLU- 54 # SUP 1.69 Upper HA2 GLY 26 - QD1 ILE 29 4.30 6 0.16 0.95 + *++ + + # peak 980 # SUP 1.08 HA1 GLY 26 - QD1 ILE 29 # SUP 0.15 Upper HA SER 85 - HB2 PRO 86 3.80 20 0.67 0.78 ++++++*+++++++++++++ # peak 991 # SUP 3.12 HA SER 85 - HB3 PRO 86 # SUP 4.41 HD3 PRO 52 - HA GLU- 75 # SUP 1.85 HA GLU- 56 - HA1 GLY 58 # SUP 1.93 Upper HE21 GLN 16 - HA GLU- 18 4.73 8 0.34 1.20 + +++ + * ++ # peak 1009 # SUP 0.65 HA GLU- 18 - QE PHE 34 # SUP 1.37 HE21 GLN 16 - HA GLU- 75 # SUP 1.29 HA GLU- 18 - HZ PHE 34 # SUP 0.79 HE ARG+ 53 - HA GLU- 75 # SUP 0.68 HZ2 TRP 51 - HA GLU- 75 # SUP 0.17 Upper HD3 PRO 52 - QD1 ILE 68 4.90 6 0.19 0.69 +*+ + + + # peak 1113 # SUP 3.03 Upper HN GLU- 10 - HA ALA 11 4.22 20 0.64 0.66 +++++++++++++++++++* # peak 1231 # SUP 1.84 Upper QD1 ILE 101 - HA GLN 102 4.27 9 0.33 1.35 +++ * ++ + + + # peak 1262 # SUP 2.00 HA HIS+ 98 - QD1 ILE 101 # SUP 1.08 Upper HG LEU 74 - QD1 ILE 101 4.10 7 0.30 1.54 ++ + * + + + # peak 1273 # SUP 0.89 HB3 LEU 74 - QD1 ILE 101 # SUP 1.49 Upper HD3 PRO 52 - HD3 PRO 104 3.94 11 0.61 1.51 +++ * ++ ++++ + # peak 1320 # SUP 2.09 HA VAL 73 - HD3 PRO 104 # SUP 1.64 HA LEU 17 - HD3 PRO 104 # SUP 0.75 Upper HB3 LEU 67 - HB ILE 68 4.34 20 1.03 1.47 +++++++++++++++++*++ # peak 1365 # SUP 4.24 HB3 LEU 67 - HG LEU 74 # SUP 1.34 Upper HB2 LEU 17 - HD3 PRO 52 3.75 9 0.28 0.95 + * ++++ + ++ # peak 1396 # SUP 5.02 HB2 LEU 17 - HB VAL 94 # SUP 0.49 HB2 LEU 17 - HB3 GLU- 50 # SUP 0.29 HB2 LEU 17 - HB3 ARG+ 53 # SUP 0.26 Upper HD3 PRO 52 - HB ILE 68 4.34 10 0.38 1.17 ++ +++ ++ ++ * # peak 1694 # SUP 4.21 Upper HB ILE 68 - HG LEU 74 4.68 14 0.56 1.26 +++++ +++*+ +++ + # peak 1706 # SUP 3.41 Upper QD1 ILE 19 - HB3 LYS+ 20 4.43 8 0.22 0.56 * + + + ++ + + # peak 1849 # SUP 2.92 QD1 ILE 19 - HB2 LYS+ 20 # SUP 1.81 HG12 ILE 19 - HB3 LYS+ 20 # SUP 2.22 HG12 ILE 19 - HB2 LYS+ 20 # SUP 2.35 Upper HD3 PRO 52 - HN THR 95 4.47 12 0.39 0.66 +++ +++++ + +*+ # peak 1851 # SUP 4.03 HD3 PRO 52 - HN SER 69 # SUP 3.17 HD3 PRO 52 - HN ILE 101 # SUP 1.87 Upper HD3 PRO 52 - HN THR 95 4.67 18 0.78 1.53 +++*+ +++++++++++++ # peak 1852 # SUP 4.03 HD3 PRO 52 - HN ILE 101 # SUP 1.87 Upper HG3 GLN 16 - HN VAL 99 4.73 10 0.50 1.28 + + +++++ * + + # peak 1923 # SUP 0.86 HG2 GLN 16 - HN VAL 99 # SUP 1.12 HN GLU- 50 - HD3 PRO 52 # SUP 2.43 Upper HN GLU- 50 - HD3 PRO 52 4.60 19 1.06 1.71 ++++++ +++++++*+++++ # peak 1959 # SUP 2.43 HD3 PRO 52 - HN ASN 76 # SUP 0.53 Upper HD3 PRO 52 - HN VAL 94 4.93 6 0.25 1.08 +++ + +* # peak 2138 # SUP 2.69 HD3 PRO 52 - HN VAL 105 # SUP 1.41 Upper HD3 PRO 52 - HN THR 95 4.43 14 0.45 0.73 +++ +++++ ++++*+ # peak 2155 # SUP 4.03 HD3 PRO 52 - HN SER 69 # SUP 3.17 Upper HN GLN 16 - HD3 PRO 52 4.32 7 0.29 0.92 ++ + + *+ + # peak 2173 # SUP 3.02 HN HIS+ 8 - HB3 GLU- 109 # SUP 0.02 HN ASP- 28 - HB3 GLU- 109 # SUP 0.02 HN ASP- 28 - HB3 GLN 102 # SUP 0.02 HN LEU 9 - HB3 GLN 102 # SUP 0.02 HN HIS+ 8 - HB3 GLN 102 # SUP 0.02 HB3 GLU- 56 - HN ALA 91 # SUP 0.02 HN ASN 89 - HB3 GLU- 109 # SUP 0.02 HN GLN 16 - HB3 GLN 102 # SUP 0.02 HD3 PRO 52 - HN VAL 99 # SUP 0.09 HN VAL 99 - HB3 GLN 102 # SUP 0.24 HD3 PRO 52 - HN ALA 91 # SUP 0.31 Upper HD3 PRO 52 - HN GLU- 54 4.86 6 0.22 0.92 + + + ++ * # peak 2244 # SUP 4.12 Upper HD3 PRO 52 - HG LEU 74 2.40 10 0.42 1.32 + + + +++* + ++ # peak 2391 # SUP 7.44 Upper HG13 ILE 68 - HG LEU 74 3.81 12 0.37 1.08 + + +++ +++ +*++ # peak 2497 # SUP 0.84 HG12 ILE 68 - HG LEU 74 # SUP 1.37 Upper HB THR 96 - HA MET 97 5.05 7 0.25 0.82 + +* + +++ # peak 2508 # SUP 0.67 Upper QD2 LEU 67 - HB ILE 68 3.84 9 0.29 0.74 +++ + * + ++ + # peak 2526 # SUP 3.43 QD2 LEU 67 - HG LEU 74 # SUP 2.37 Upper QD2 LEU 67 - QD1 LEU 74 4.95 8 0.38 1.48 + + ++ * + ++ # peak 2531 # SUP 1.72 Upper HD3 PRO 52 - HG2 PRO 104 4.51 9 0.38 1.20 +* +++ + + + + # peak 2536 # SUP 1.97 HB2 SER 77 - HG2 PRO 104 # SUP 0.71 HB3 SER 77 - HG2 PRO 104 # SUP 0.66 Upper HD3 PRO 52 - HG12 ILE 101 4.43 10 0.31 0.87 ++++ + *+ ++ + # peak 2557 # SUP 3.25 HB3 GLU- 75 - HG12 ILE 101 # SUP 0.84 HG3 ARG+ 53 - HG12 ILE 101 # SUP 2.16 Upper HD3 PRO 52 - HG3 ARG+ 53 3.57 9 0.32 1.00 + + ++ +*+ ++ # peak 2570 # SUP 4.42 Upper HG LEU 17 - HG LEU 74 3.74 8 0.26 0.97 + + +++* + + # peak 2630 # SUP 4.82 Upper HA ILE 68 - QD2 LEU 74 5.03 6 0.28 1.26 + +*+ + + # peak 2671 # SUP 0.66 Upper QD1 LEU 17 - HN VAL 73 4.29 11 0.58 1.93 + ++++ + ++ + +* # peak 2693 # SUP 1.45 Upper QD1 LEU 17 - HD3 PRO 52 4.14 6 0.23 0.61 ++ + + * + # peak 2698 # SUP 4.51 Upper HD3 PRO 52 - QB ALA 103 4.77 6 0.16 1.05 + ++ * + + # peak 2714 # SUP 4.06 HA LYS+ 55 - QB ALA 103 # SUP 0.72 HA VAL 73 - QB ALA 103 # SUP 0.88 HG2 LYS+ 32 - HB THR 46 # SUP 0.02 Upper HD3 PRO 52 - QB ALA 103 4.62 15 0.73 1.72 + + ++++++ +*+++++ # peak 2722 # SUP 4.06 Upper HG3 GLN 16 - QG1 VAL 99 4.30 9 0.31 0.96 ++ + *+ ++ + + # peak 2988 # SUP 1.56 HG2 GLN 16 - QG1 VAL 99 # SUP 0.89 Upper HG LEU 17 - QG1 VAL 99 4.85 13 0.51 1.28 ++ +++ ++ +++ * ++ # peak 3002 # SUP 1.06 HB3 LEU 17 - QG1 VAL 99 # SUP 0.93 HD3 PRO 52 - QG1 VAL 99 # SUP 0.17 Upper HG3 ARG+ 53 - QG2 ILE 101 3.86 8 0.28 1.28 + + + +* ++ + # peak 3304 # SUP 1.99 HD3 PRO 52 - QG2 ILE 101 # SUP 3.00 HB3 GLU- 75 - QG2 ILE 101 # SUP 1.85 HD3 PRO 52 - HG3 LYS+ 66 # SUP 1.32 Upper HH2 TRP 51 - QD1 ILE 101 4.62 6 0.19 0.68 +++ + + * # peak 352 # SUP 3.55 Upper HH2 TRP 51 - HG12 ILE 101 4.85 9 0.26 0.88 + + ++ ++ * ++ # peak 557 # SUP 1.22 HH2 TRP 51 - HB ILE 100 # SUP 0.96 HH2 TRP 51 - HD3 PRO 52 # SUP 3.61 Upper HN ALA 103 - HA PRO 104 4.11 13 0.37 1.01 +++ * ++++ ++ +++ # peak 46 # SUP 1.40 HA VAL 73 - HN ALA 103 # SUP 1.13 HN ALA 103 - HA THR 106 # SUP 0.11 Upper HA VAL 73 - HN THR 95 4.31 8 0.33 1.20 + + ++ + ++* # peak 97 # SUP 2.59 HD3 PRO 52 - HN THR 95 # SUP 4.03 HA TRP 51 - HN THR 95 # SUP 0.75 Upper HD3 PRO 52 - HN THR 95 4.63 9 0.33 0.91 + + + ++ +*+ + # peak 98 # SUP 4.03 HB3 LYS+ 72 - HN THR 95 # SUP 1.72 HB VAL 73 - HN THR 95 # SUP 1.11 Upper HA ASN 15 - HN LEU 17 3.87 15 0.64 1.36 ++ *+++++++ + ++ ++ # peak 161 # SUP 1.62 HN LEU 17 - HD3 PRO 52 # SUP 4.30 HD3 PRO 52 - HN THR 96 # SUP 1.99 Upper HN TRP 51 - HD2 PRO 52 3.48 7 0.22 0.78 ++ * ++ + + # peak 170 # SUP 3.11 HN TRP 51 - HD3 PRO 52 # SUP 5.51 HA ILE 48 - HN TRP 51 # SUP 0.64 Upper HN LEU 17 - HG LEU 74 4.49 8 0.29 0.69 + + * ++ + + + # peak 213 # SUP 3.14 HN LEU 17 - HG13 ILE 68 # SUP 0.57 HN LEU 17 - QG2 VAL 73 # SUP 0.71 Upper HD3 PRO 52 - HN VAL 73 3.43 10 0.51 1.50 + + +++ *++++ # peak 218 # SUP 3.35 HN VAL 73 - HB2 GLU- 75 # SUP 0.02 HN VAL 73 - HG3 PRO 104 # SUP 0.02 HB VAL 13 - HN VAL 73 # SUP 0.02 Upper HN GLU- 56 - HA1 GLY 58 4.19 6 0.26 1.28 + + + ++* # peak 228 # SUP 1.09 Upper HE22 GLN 16 - HN GLU- 18 4.53 17 0.61 1.37 ++++++ +++++++ + *++ # peak 248 # SUP 5.39 Upper HD3 PRO 52 - HN LEU 67 5.25 8 0.22 0.53 ++ ++ + * ++ # peak 281 # SUP 1.99 HB VAL 62 - HN LEU 67 # SUP 0.39 Upper HN ALA 93 - HN VAL 94 4.26 8 0.26 0.39 + ++++ + + * # peak 295 # SUP 2.88 Upper HE22 GLN 16 - HD3 PRO 52 3.88 10 0.31 0.69 ++ *++ +++ ++ # peak 423 # SUP 6.79 HE22 GLN 16 - HA LEU 74 # SUP 1.98 Upper HB2 LEU 67 - HN ILE 68 4.02 13 0.28 0.41 +* + ++++ + ++++ + # peak 457 # SUP 3.87 Upper HB2 PHE 21 - HN ILE 29 4.52 6 0.21 0.57 + + ++ * + # peak 505 # SUP 0.89 Upper HG LEU 74 - HN VAL 94 3.89 12 0.37 0.92 ++++*+ ++ ++ ++ # peak 506 # SUP 1.79 QB ALA 91 - HN VAL 94 # SUP 0.71 Upper HD3 PRO 52 - HN VAL 94 3.64 7 0.23 0.90 +* + + ++ + # peak 510 # SUP 2.69 HD3 LYS+ 72 - HN VAL 94 # SUP 1.39 HB VAL 73 - HN VAL 94 # SUP 1.92 Upper HN VAL 99 - QD1 ILE 101 4.87 6 0.24 1.21 + + + * + + # peak 541 # SUP 0.80 Upper HA VAL 73 - HN VAL 94 3.03 8 0.21 0.68 ++ ++* + + + # peak 555 # SUP 4.16 HA VAL 73 - HN VAL 105 # SUP 0.67 HD3 PRO 52 - HN VAL 94 # SUP 2.69 HA TRP 51 - HN VAL 94 # SUP 0.75 HD3 PRO 52 - HN VAL 105 # SUP 1.41 Upper HN HIS+ 14 - HE22 GLN 16 5.50 15 0.52 1.13 ++ +++ + + +++*++++ # peak 635 # SUP 2.06 Upper HA ASN 76 - HN VAL 80 3.76 12 0.42 1.03 + ++++*+ + + + + + # peak 660 # SUP 1.17 HA SER 77 - HN VAL 80 # SUP 0.89 Upper HD3 PRO 52 - HN SER 69 4.28 12 0.44 1.11 ++ +++* +++ + ++ # peak 667 # SUP 3.17 HD2 PRO 52 - HN SER 69 # SUP 0.75 Upper HN LYS+ 81 - HG3 ARG+ 84 3.40 10 0.37 0.97 + +++* + + + + + # peak 718 # SUP 1.48 Upper HA ASN 76 - HN LYS+ 81 4.17 7 0.22 0.65 +++ +* ++ # peak 721 # SUP 1.00 HA SER 77 - HN LYS+ 81 # SUP 0.94 HA SER 77 - HN THR 106 # SUP 0.08 HA ASN 76 - HN THR 106 # SUP 0.09 Upper HN GLU- 50 - HD3 PRO 52 4.35 10 0.33 1.19 +++ + + ++ *++ # peak 730 # SUP 2.43 HA ILE 48 - HN GLU- 50 # SUP 0.63 Upper HG LEU 43 - HN GLU- 45 4.28 8 0.28 0.64 + +* + + +++ # peak 752 # SUP 1.98 Upper HE22 GLN 16 - HD3 PRO 52 4.06 10 0.34 0.85 + +*++ + + +++ # peak 817 # SUP 6.79 Upper HG3 ARG+ 53 - HN GLU- 54 3.88 6 0.16 0.57 + + + * + + # peak 855 # SUP 4.28 HD3 PRO 52 - HN GLU- 54 # SUP 4.12 Upper HN GLY 30 - HN LYS+ 32 5.21 18 0.49 0.77 *++++ ++++ +++++++++ # peak 919 # SUP 1.09 Upper HN SER 41 - HA ALA 42 4.22 20 0.70 0.83 +++++++++*++++++++++ # peak 934 # SUP 1.31 Upper HN THR 61 - HG2 GLU- 64 4.41 6 0.35 1.27 + +++*+ # peak 1039 # SUP 0.52 HN THR 61 - HB VAL 62 # SUP 2.14 Upper HE1 TRP 51 - HD3 PRO 52 4.99 6 0.22 0.86 ++ * ++ + # peak 1114 # SUP 3.43 Upper HE1 TRP 51 - HG LEU 74 4.80 12 0.38 1.24 +*+ + +++ ++ + ++ # peak 1118 # SUP 1.08 HE1 TRP 51 - HG3 LYS+ 55 # SUP 0.12 Angle PHI GLU- 10 253.00 283.00 7 4.83 5.78 ++* ++ + + Angle PHI LEU 17 229.00 273.00 10 7.40 26.49 ++ ++ + ++ ++* Angle PSI LEU 17 116.00 146.00 11 7.09 23.46 ++++++ +++ *+ Angle PHI PHE 21 237.00 261.00 8 5.18 21.15 + * +++ + + + Angle PSI PHE 21 106.00 132.00 8 6.56 27.34 ++ + + + +* + Angle PHI ARG+ 22 225.00 267.00 6 4.22 23.00 + + + +* + Angle PSI PRO 31 128.00 150.00 20 10.45 15.67 +++++++++++++++++*++ Angle PHI SER 41 281.00 301.00 15 6.31 14.33 ++++++ ++ ++ ++ +*+ Angle PSI VAL 47 304.00 324.00 7 3.76 11.73 + + *+ + + + Angle PHI ILE 48 291.00 311.00 6 4.06 13.44 * + ++ + + Angle PHI TRP 51 251.00 281.00 7 5.68 25.84 * ++ +++ + Angle PSI TRP 51 110.00 138.00 13 10.23 22.84 + ++ ++ + + *++++ + Angle PHI ARG+ 53 285.00 305.00 11 6.93 16.49 * + + ++ ++++++ Angle PSI ARG+ 53 314.00 334.00 9 5.21 19.39 + ++ *++ ++ + Angle PHI GLU- 54 256.00 286.00 10 6.09 18.63 + + ++ + + *+ + + Angle PSI THR 61 147.00 175.00 6 4.96 16.57 ++ +++ * Angle PHI VAL 62 289.00 309.00 6 4.07 15.47 ++ + + +* Angle PSI VAL 65 92.00 130.00 7 4.92 18.78 ++ +++ * + Angle PHI LYS+ 66 235.00 281.00 9 6.00 25.65 ++++ + + + * + Angle PSI LYS+ 66 118.00 152.00 8 4.36 13.27 +* +++++ + Angle PSI LEU 67 135.00 155.00 12 6.93 39.63 +++ +++ + * +++ + Angle PHI ILE 68 227.00 253.00 19 18.08 47.18 ++++++++++++*+++++ + Angle PSI ILE 68 110.00 146.00 7 5.67 24.31 + ++ + *+ + Angle PHI SER 69 218.00 274.00 6 4.38 25.19 + ++ + * + Angle PSI SER 69 110.00 134.00 7 3.69 12.51 + +* ++ ++ Angle PHI LYS+ 72 235.00 261.00 7 4.02 16.90 + + + + * ++ Angle PSI LYS+ 72 116.00 150.00 6 4.56 28.56 +++ + + * Angle PHI VAL 73 244.00 278.00 8 5.73 43.44 + ++ ++ ++ * Angle PSI VAL 73 107.00 137.00 9 4.99 17.05 + + + + *+ +++ Angle PHI THR 79 222.00 272.00 6 3.46 11.65 * ++++ + Angle PSI THR 79 148.00 174.00 14 8.90 25.48 ++ + ++*+ ++++ +++ Angle PHI VAL 94 245.00 279.00 11 8.56 23.72 +++ + ++ +* + ++ Angle PSI VAL 94 119.00 147.00 12 9.47 30.72 ++++ ++++ ++* + Angle PSI THR 95 113.00 139.00 16 11.05 26.77 + ++ + * +++++++++++ Angle PHI THR 96 246.00 294.00 16 15.29 42.72 + ++ +++++* +++++++ Angle PSI THR 96 116.00 146.00 19 20.10 41.70 ++++ ++++++++++++*++ Angle PHI MET 97 248.00 292.00 20 14.93 37.73 ++++++*+++++++++++++ Angle PSI MET 97 120.00 166.00 13 7.96 19.43 + ++++ + ++ ++* ++ Angle PHI HIS+ 98 248.00 288.00 15 8.53 17.38 + ++++ +* + ++ +++++ Angle PSI HIS+ 98 121.00 149.00 18 21.57 37.50 +*+++++++++ +++++ ++ Angle PHI VAL 99 242.00 268.00 20 20.16 27.81 ++++++++++++++++++*+ Angle PSI VAL 99 121.00 143.00 19 12.70 23.31 +++++++++++++++++*+ Angle PHI ILE 100 227.00 273.00 14 9.15 23.32 ++++++ ++ +++ ++* Angle PSI ILE 100 113.00 143.00 20 20.95 33.80 ++++++++*+++++++++++ Angle PHI ILE 101 252.00 274.00 16 14.35 33.45 +++++++++++++ ++* Angle PSI ILE 101 107.00 131.00 12 8.67 27.19 + + +++ + + ++*++ Angle PHI GLN 102 231.00 287.00 6 3.34 18.82 *++ + + + Angle PSI GLN 102 122.00 152.00 9 5.00 14.77 + + + + +* ++ + 85 violated distance constraints. 48 violated angle constraints. RMSDs for residues 20..123: Average backbone RMSD to mean : 9.92 +/- 1.43 A (7.19..12.24 A) Average heavy atom RMSD to mean : 10.38 +/- 1.40 A (7.64..12.74 A)