Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 29.25 71 26.3 0.92 17 24.6 0.82 26 411.8 45.95 2 29.45 75 27.6 1.00 20 22.7 0.45 31 469.6 42.66 3 29.50 81 27.8 0.80 25 24.4 0.40 31 481.1 38.07 4 30.07 82 27.3 1.03 23 22.9 0.40 35 545.3 32.13 5 30.98 69 25.0 0.92 21 25.8 0.37 33 541.4 34.91 6 31.23 68 27.6 1.17 20 26.2 0.39 29 490.9 32.63 7 31.26 86 30.1 0.84 21 25.7 0.50 33 505.8 35.89 8 31.49 92 30.4 0.81 26 28.5 0.53 27 425.8 35.34 9 32.03 70 26.7 1.05 22 22.8 0.48 29 538.0 34.39 10 32.41 71 26.8 1.27 16 21.7 0.40 35 555.0 39.82 11 32.81 91 27.1 0.72 25 25.6 0.41 32 576.9 44.34 12 32.99 90 31.6 1.15 24 27.4 0.41 28 463.7 34.13 13 34.13 87 29.5 1.48 32 29.0 0.46 32 489.6 30.68 14 34.38 75 28.6 1.03 22 26.1 0.42 31 539.7 34.04 15 34.40 73 27.8 0.95 20 25.0 0.44 40 617.6 40.36 16 34.42 84 30.1 0.99 25 26.6 0.53 35 533.1 35.93 17 34.93 79 29.1 1.15 25 30.7 0.50 43 563.8 32.10 18 35.53 86 31.2 1.25 31 29.5 0.46 33 468.2 35.48 19 36.41 74 28.0 1.24 15 21.8 0.41 33 577.9 39.26 20 37.59 89 35.0 1.01 30 29.3 0.45 32 520.4 33.51 Ave 32.76 80 28.7 1.04 23 25.8 0.46 32 515.8 36.58 +/- 2.35 8 2.2 0.18 5 2.6 0.09 4 51.7 4.14 Min 29.25 68 25.0 0.72 15 21.7 0.37 26 411.8 30.68 Max 37.59 92 35.0 1.48 32 30.7 0.82 43 617.6 45.95 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 HB3 SER 88 - HA ASN 89 4.76 11 0.21 0.83 ++ ++ + +++++* # peak 37 # SUP 4.12 Upper QG1 VAL 47 - HE3 TRP 51 4.73 15 0.30 0.94 + +++ ++*+++++++ + # peak 101 # SUP 1.50 QG2 VAL 47 - HE3 TRP 51 # SUP 2.02 Upper HA LYS+ 44 - QG2 VAL 62 4.64 10 0.13 0.58 + ++ + +++ * + + # peak 116 # SUP 1.68 HA ILE 48 - QG2 VAL 62 # SUP 2.18 Upper HA1 GLY 58 - QG2 VAL 62 5.28 12 0.15 0.31 ++ + ++++++ +*+ # peak 139 # SUP 0.96 Upper HN ARG+ 84 - QB ALA 103 4.05 10 0.17 0.86 + + + +++ +++* # peak 165 # SUP 0.82 HE22 GLN 102 - QB ALA 103 # SUP 1.27 Upper HZ PHE 21 - QD1 LEU 43 5.08 8 0.13 0.76 + * +++++ + # peak 169 # SUP 1.91 QD PHE 21 - QD1 LEU 43 # SUP 3.12 Upper HA VAL 73 - HN VAL 94 4.01 18 0.38 1.20 ++++ ++ ++++++++++*+ # peak 287 # SUP 5.62 HA VAL 73 - HN VAL 105 # SUP 3.99 Upper HA VAL 73 - HB3 PRO 104 4.37 14 0.27 0.65 +++++++ ++ ++ ++* # peak 301 # SUP 2.05 HA VAL 73 - HB3 GLU- 75 # SUP 2.87 Upper HA VAL 73 - HG LEU 74 4.32 10 0.35 1.11 + ++ +++ ++ *+ # peak 425 # SUP 4.36 HA VAL 73 - QG2 ILE 101 # SUP 1.29 Upper HA VAL 73 - HA VAL 94 3.96 19 0.58 1.18 +++++++++*++++ +++++ # peak 526 # SUP 3.99 HA ASN 89 - HA VAL 94 # SUP 1.66 Upper HA ASN 89 - QB ALA 103 3.88 18 0.64 1.27 +++++++++*++ +++ +++ # peak 719 # SUP 6.41 Upper HB VAL 99 - QG2 ILE 100 4.06 14 0.49 0.90 + ++ ++++ + + ++++ * # peak 781 # SUP 0.94 HB3 MET 97 - QG2 ILE 100 # SUP 0.18 Upper HD3 LYS+ 20 - QG2 ILE 100 4.52 6 0.09 0.54 +* + + ++ # peak 786 # SUP 1.36 HG LEU 74 - QG2 ILE 100 # SUP 2.71 HB2 LYS+ 20 - QG2 ILE 100 # SUP 2.00 Upper HA2 GLY 26 - QG2 ILE 48 4.81 13 0.26 0.76 + +++ ++ +++*+ + + # peak 952 # SUP 0.75 HA1 GLY 26 - QG2 ILE 48 # SUP 1.74 Upper HA GLU- 56 - HA1 GLY 58 4.75 15 0.53 0.87 +++ ++++++++ ++ +* # peak 972 # SUP 3.35 Upper QD1 ILE 29 - HE3 TRP 51 5.38 7 0.08 0.36 +++ ++* + # peak 977 # SUP 1.83 Upper HA SER 85 - HB2 PRO 86 4.21 15 0.15 0.24 +++ +++*++++ ++ ++ # peak 991 # SUP 4.39 HA SER 85 - HB3 PRO 86 # SUP 4.49 HA GLU- 56 - HA1 GLY 58 # SUP 3.35 Upper HA SER 85 - HA ASN 89 3.84 15 0.15 0.27 ++++ ++++ +++ + +*+ # peak 1014 # SUP 2.69 HA SER 85 - HA PRO 86 # SUP 2.09 HA VAL 73 - HA GLU- 75 # SUP 2.86 HA GLU- 18 - HA ASN 89 # SUP 3.27 HA GLU- 18 - HA VAL 73 # SUP 1.34 Upper HA GLU- 18 - HG LEU 74 4.77 15 0.48 1.48 ++++ + ++ + *+ +++++ # peak 1096 # SUP 3.54 Upper QD1 ILE 19 - HB3 MET 97 3.84 9 0.21 0.80 ++ *+ ++ ++ + # peak 1114 # SUP 3.00 QD1 ILE 19 - HB VAL 99 # SUP 0.92 Upper QD1 ILE 48 - HA THR 61 5.07 8 0.09 0.33 ++ +++ + * + # peak 1132 # SUP 2.28 Upper HD3 PRO 86 - HA ASN 89 4.10 11 0.16 0.52 ++++ ++ + * +++ # peak 1287 # SUP 3.92 Upper HB3 LEU 67 - HB ILE 68 4.81 14 0.20 0.41 ++ ++ +*+ ++++ +++ # peak 1365 # SUP 3.50 Upper HA2 GLY 26 - HA ILE 48 4.32 13 0.22 0.47 +*+++ ++ ++ + +++ # peak 1389 # SUP 2.00 HA1 GLY 26 - HA ILE 48 # SUP 2.74 Upper HB3 LEU 43 - HB ILE 68 4.80 11 0.17 0.38 + + ++ *+ +++ + + # peak 1694 # SUP 2.27 HB2 LEU 43 - HB ILE 68 # SUP 2.45 Upper HB2 LEU 43 - HB2 LEU 67 5.50 11 0.14 0.41 * + +++++ ++ ++ # peak 1697 # SUP 1.90 HB3 LEU 43 - HB2 LEU 67 # SUP 1.28 Upper HB ILE 29 - HB ILE 48 4.89 15 0.28 0.98 +++ + +++++++ ++* + # peak 1723 # SUP 2.53 Upper HG2 GLU- 18 - HA ASN 89 5.30 14 0.27 0.78 ++ ++++++++*+++ # peak 1818 # SUP 2.52 HG2 GLU- 18 - HA MET 97 # SUP 0.71 Upper HB3 LYS+ 20 - HA2 GLY 30 5.29 8 0.14 0.40 ++ *+ + + + + # peak 1829 # SUP 2.89 HB2 LYS+ 20 - HA2 GLY 30 # SUP 3.34 Upper HB2 LYS+ 20 - HG13 ILE 100 4.62 8 0.10 0.40 + ++ *++ ++ # peak 1846 # SUP 3.93 HB3 LYS+ 20 - HG13 ILE 100 # SUP 3.31 Upper HG LEU 74 - HG2 GLN 102 4.41 14 0.41 1.25 ++++ ++ +++ ++ +* + # peak 1933 # SUP 2.80 Upper HB3 LYS+ 72 - QG2 VAL 94 4.33 8 0.12 0.90 + + +*+++ + # peak 1935 # SUP 5.70 Upper QD1 ILE 101 - HG2 MET 126 5.10 9 0.09 0.34 ++ + + * +++ + # peak 1936 # SUP 0.74 QD1 ILE 101 - HG3 MET 126 # SUP 2.81 QD1 ILE 101 - HG2 GLN 102 # SUP 1.10 Upper HA ASN 89 - HG3 GLN 102 5.26 12 0.18 0.41 + ++ + +++ + +*+ + # peak 1940 # SUP 4.58 Upper HB VAL 87 - HB2 SER 88 4.83 9 0.08 0.30 +++ ++ + ++ * # peak 2031 # SUP 2.31 HB VAL 87 - HA ASN 89 # SUP 3.70 Upper HA ASN 89 - HB3 PRO 104 4.34 6 0.12 0.88 ++ + + + * # peak 2066 # SUP 4.75 HA VAL 73 - HB3 PRO 104 # SUP 2.05 Upper HA ASN 89 - HB2 PRO 104 5.50 9 0.13 0.52 *++ ++ + ++ + # peak 2071 # SUP 4.75 Upper HA ASN 89 - HB3 GLN 102 4.05 10 0.14 0.48 + * + + ++ ++ ++ # peak 2181 # SUP 5.58 Upper HB3 GLU- 107 - HB2 LYS+ 108 2.42 17 0.47 0.71 +++++ + ++++ +++*+++ # peak 2222 # SUP 1.98 HB3 GLU- 107 - HB3 GLU- 109 # SUP 0.49 Upper HG2 GLU- 45 - HB2 GLU- 50 5.18 7 0.12 0.58 + + + * +++ # peak 2315 # SUP 2.73 HG3 GLU- 45 - HB2 GLU- 50 # SUP 2.42 Upper HB2 GLU- 45 - HB2 GLU- 50 4.23 10 0.13 0.52 +++ ++ + + + +* # peak 2325 # SUP 3.60 HB3 GLU- 45 - HB2 GLU- 50 # SUP 4.27 Upper HG13 ILE 68 - HB3 MET 97 5.19 11 0.15 0.69 ++++ ++ ++ *+ + # peak 2466 # SUP 1.62 HB2 LEU 67 - HG13 ILE 68 # SUP 2.19 HB2 LEU 67 - HG12 ILE 68 # SUP 2.39 HG12 ILE 68 - HB3 MET 97 # SUP 1.46 Upper HG13 ILE 19 - HA ILE 68 5.50 6 0.07 0.42 + ++* + + # peak 2485 # SUP 2.42 Upper HG12 ILE 19 - HB3 MET 97 4.48 20 0.49 1.15 +++++++++++*++++++++ # peak 2495 # SUP 2.45 HG12 ILE 19 - HB VAL 99 # SUP 0.73 Upper HB THR 96 - HA MET 97 5.50 6 0.10 0.51 ++* + ++ # peak 2508 # SUP 0.71 Upper QD2 LEU 67 - HB ILE 68 4.25 6 0.07 0.33 * ++ + + + # peak 2526 # SUP 4.73 HG LEU 74 - HG12 ILE 100 # SUP 3.44 Upper QD1 LEU 74 - HG12 ILE 100 5.49 17 0.30 0.68 +++++++++ ++++ ++*+ # peak 2531 # SUP 0.75 Upper HG LEU 74 - HB2 PRO 104 4.76 10 0.21 0.67 +++ + ++ + + + * # peak 2569 # SUP 6.49 HB VAL 73 - HG LEU 74 # SUP 2.99 Upper HA1 GLY 30 - HG3 PRO 31 4.86 10 0.21 0.57 +++ + + + +*+ + # peak 2696 # SUP 2.59 Upper HA ASN 89 - QD1 LEU 90 4.68 9 0.10 0.32 + +++ *++ + + # peak 2720 # SUP 4.01 QD1 LEU 17 - HA ASN 89 # SUP 3.85 Upper HG2 LYS+ 20 - HG13 ILE 100 3.09 14 0.20 0.47 + ++ +++ +++ +++ +* # peak 2783 # SUP 2.95 Upper QD2 LEU 23 - HN ILE 29 5.26 8 0.07 0.29 * + ++ ++ + + # peak 2865 # SUP 3.30 Upper QG1 VAL 99 - QG2 ILE 101 4.19 8 0.09 0.31 + + + ++ + *+ # peak 3020 # SUP 1.03 QD1 ILE 68 - QG1 VAL 99 # SUP 0.33 Upper QD1 LEU 23 - HE3 TRP 51 5.50 7 0.07 0.26 + * + + + ++ # peak 3381 # SUP 1.84 Upper QD2 LEU 17 - HA ASN 89 5.50 6 0.07 0.43 + + + * ++ # peak 3423 # SUP 3.90 Upper HG12 ILE 19 - HB THR 95 5.50 10 0.12 0.41 + ++ +*+ + ++ + # peak 3470 # SUP 1.97 Upper HG LEU 74 - HG12 ILE 100 4.85 17 0.31 0.85 +*++ +++ + +++++++++ # peak 3472 # SUP 3.44 QG2 VAL 99 - HG12 ILE 100 # SUP 1.16 QG2 VAL 73 - HG12 ILE 100 # SUP 0.48 Upper HB3 MET 97 - HB2 HIS+ 98 5.50 6 0.13 0.60 * ++ + ++ # peak 3537 # SUP 2.68 Upper HB3 LYS+ 20 - HB3 HIS+ 98 5.50 12 0.17 0.62 +++ +* +++ + ++ + # peak 3542 # SUP 1.87 HG3 LYS+ 20 - HB3 HIS+ 98 # SUP 0.75 HG13 ILE 19 - HB3 HIS+ 98 # SUP 1.12 HB2 LYS+ 20 - HB3 HIS+ 98 # SUP 1.84 Upper HA LYS+ 44 - HG3 GLU- 45 5.50 9 0.10 0.35 + ++ + + + ++* # peak 3645 # SUP 3.73 HA LYS+ 44 - HG2 GLU- 45 # SUP 4.30 Upper HZ PHE 21 - HB ILE 68 5.50 11 0.13 0.44 ++ +*+ +++ + + + # peak 3697 # SUP 1.33 QD PHE 21 - HB ILE 68 # SUP 0.75 Upper HN VAL 99 - QD1 ILE 100 5.50 17 0.53 0.94 ++++ +++++ +*++++++ # peak 3785 # SUP 0.02 QD1 ILE 100 - HN ALA 103 # SUP 0.02 HN ASN 76 - QD1 ILE 100 # SUP 0.02 Upper HA ASN 89 - QG1 VAL 94 4.95 18 0.51 0.87 ++++++++++++++ ++* + # peak 3850 # SUP 1.64 Upper HG LEU 74 - QG2 VAL 94 4.41 10 0.17 0.60 +++ +++++ *+ # peak 3853 # SUP 4.33 HG13 ILE 19 - QG2 VAL 94 # SUP 0.93 Upper QG2 VAL 94 - HG3 PRO 104 4.86 11 0.24 0.81 + + ++*++ ++ + + # peak 3854 # SUP 1.43 HB2 GLU- 18 - QG2 VAL 94 # SUP 1.43 Upper HB THR 61 - QG2 VAL 62 5.43 7 0.10 0.45 ++ *+++ + # peak 3876 # SUP 3.91 Upper HA VAL 73 - HG3 PRO 104 5.31 7 0.07 0.30 + + ++ * + + # peak 3884 # SUP 1.47 HA VAL 73 - HB3 GLU- 75 # SUP 2.87 HA VAL 73 - HB VAL 105 # SUP 1.67 HB2 GLU- 18 - HA VAL 73 # SUP 1.02 Upper QD1 ILE 19 - QE PHE 34 4.91 13 0.17 0.42 + ++++ * +++++ ++ # peak 318 # SUP 1.64 HG12 ILE 19 - QE PHE 34 # SUP 2.07 Upper HZ2 TRP 51 - HB3 LYS+ 55 5.50 14 0.27 0.73 +++++ ++ + *++ + + + # peak 527 # SUP 2.00 Upper QD TYR 83 - HG3 ARG+ 84 5.09 10 0.15 0.45 +++ +++++ + * # peak 551 # SUP 3.46 Upper QD1 LEU 74 - QD TYR 83 5.33 6 0.06 0.20 + + + *+ + # peak 554 # SUP 2.77 Upper QG2 ILE 19 - QE PHE 34 5.25 18 0.36 0.78 +++++++* +++++++++ + # peak 561 # SUP 1.64 Upper HB3 GLU- 75 - HN ILE 101 4.82 17 0.44 0.99 ++++ ++++ ++++*++++ # peak 51 # SUP 4.00 Upper HN MET 97 - HA HIS+ 98 4.81 7 0.08 0.49 + + * + ++ + # peak 71 # SUP 0.02 HA ALA 33 - HN MET 97 # SUP 0.02 Upper HA VAL 73 - HN THR 95 3.99 19 0.57 1.02 ++++++++++++++ ++*++ # peak 91 # SUP 6.45 Upper HN TRP 51 - HD2 PRO 52 4.26 7 0.09 0.43 + + ++ + * + # peak 170 # SUP 3.07 HA ILE 48 - HN TRP 51 # SUP 1.50 Upper HA VAL 73 - HN THR 96 5.04 12 0.16 0.43 + ++ ++ +* +++++ # peak 210 # SUP 3.32 HA LEU 17 - HN THR 96 # SUP 0.62 Upper HG2 GLU- 18 - HN THR 96 5.13 9 0.13 0.58 *+ ++ + ++ ++ # peak 211 # SUP 2.16 Upper HN GLU- 56 - HA1 GLY 58 5.13 17 0.46 1.00 +*++++ ++ +++++++ ++ # peak 228 # SUP 2.30 Upper HN GLU- 18 - HA ASN 89 5.44 7 0.13 0.45 ++ * + ++ + # peak 246 # SUP 3.24 Upper QB ALA 91 - HN ALA 93 4.03 19 0.38 0.70 ++++++++++++++ +++*+ # peak 290 # SUP 2.35 Upper HN PHE 21 - HN ILE 29 5.37 9 0.23 0.92 ++* + ++ + ++ # peak 314 # SUP 2.82 Upper HN LYS+ 72 - HN THR 95 5.00 12 0.20 0.69 + + + +*++++++ + # peak 447 # SUP 2.53 Upper HB3 LEU 17 - HN LEU 90 4.10 6 0.07 0.41 ++ + + *+ # peak 491 # SUP 0.83 Upper HG LEU 74 - HN VAL 94 4.76 8 0.17 0.60 + ++ ++++* # peak 506 # SUP 1.88 QB ALA 91 - HN VAL 94 # SUP 0.74 Upper HA VAL 73 - HN VAL 94 3.69 19 0.50 0.78 +++*++++++++++++++ + # peak 507 # SUP 5.62 HA ASN 89 - HN VAL 94 # SUP 1.78 Upper HD3 LYS+ 72 - HN VAL 94 4.46 12 0.18 0.67 + + + +++ + +*+ ++ # peak 510 # SUP 2.02 HB3 GLU- 18 - HN VAL 94 # SUP 0.87 HB VAL 73 - HN VAL 94 # SUP 1.79 Upper HA VAL 73 - HN VAL 105 3.71 18 0.36 0.61 +++* +++++++++++++ + # peak 555 # SUP 3.99 HA VAL 73 - HN VAL 94 # SUP 5.62 HA ASN 89 - HN VAL 105 # SUP 2.68 HA ASN 89 - HN VAL 94 # SUP 1.78 Upper HA LYS+ 81 - HN ARG+ 84 5.50 6 0.07 0.24 + *+ ++ + # peak 577 # SUP 0.75 Upper HN SER 85 - HA ASN 89 5.50 9 0.16 0.67 + + + ++ + +* + # peak 589 # SUP 2.26 HA TYR 83 - HN SER 85 # SUP 1.30 Upper HN LYS+ 81 - HG3 ARG+ 84 4.97 6 0.11 0.49 + * + + + + # peak 707 # SUP 2.68 Upper HN GLU- 45 - QG2 VAL 62 4.70 9 0.10 0.29 + ++ +* ++ ++ # peak 750 # SUP 1.83 Upper HN LYS+ 44 - HB3 LEU 67 5.14 19 0.27 0.54 +++++++++++++*+ ++++ # peak 780 # SUP 1.57 Upper HN THR 39 - HG LEU 43 4.84 12 0.18 0.90 +++++ +++ + * ++ # peak 807 # SUP 0.75 Upper HN SER 27 - HA ILE 48 4.97 14 0.21 0.46 +*+++ + + ++ + ++++ # peak 817 # SUP 1.06 Upper HA2 GLY 26 - HN ASP- 28 4.10 6 0.09 0.46 + + + * + + # peak 824 # SUP 1.56 HA1 GLY 26 - HN ASP- 28 # SUP 2.27 Upper HN GLU- 64 - HA VAL 65 5.31 6 0.09 0.39 + ++ + *+ # peak 892 # SUP 2.20 Upper HB3 LYS+ 55 - HN ASN 57 5.23 7 0.14 0.64 *+ + +++ + # peak 945 # SUP 1.04 Upper HZ2 TRP 51 - HG3 LYS+ 55 4.71 12 0.22 0.74 * ++ + + + ++++ + + # peak 950 # SUP 2.00 Upper HB2 PRO 59 - HN THR 61 4.87 8 0.07 0.28 + + *+ + + + + # peak 1037 # SUP 3.28 HB3 PRO 59 - HN THR 61 # SUP 2.97 Upper HN THR 61 - HG2 GLU- 64 5.40 9 0.19 0.68 *+ + + ++ +++ # peak 1039 # SUP 0.43 HN THR 61 - HB VAL 62 # SUP 2.74 Upper QD1 ILE 48 - HN THR 61 5.42 6 0.07 0.40 + *+ ++ + # peak 1044 # SUP 2.91 HG13 ILE 48 - HN THR 61 # SUP 0.75 Upper HN GLY 71 - QG2 VAL 94 4.73 6 0.07 0.24 + + + * + + # peak 1074 # SUP 1.06 Upper HN LYS+ 20 - HA2 GLY 30 5.30 7 0.07 0.25 +* + + ++ + # peak 1163 # SUP 1.75 Upper HB3 GLU- 75 - HE21 GLN 102 5.50 7 0.09 0.44 *+ ++ + + + # peak 1221 # SUP 2.90 HE21 GLN 102 - HB VAL 125 # SUP 1.55 Upper HG LEU 74 - HE22 GLN 102 5.50 16 0.26 0.61 +++++*++++ ++++ + + # peak 1223 # SUP 4.23 Angle PSI ILE 19 124.00 144.00 8 5.31 14.07 * + ++ + + ++ Angle PHI LYS+ 20 204.00 242.00 11 6.21 13.04 *+ ++ ++ +++ ++ Angle PSI LYS+ 32 137.00 157.00 17 7.39 12.67 ++++++ + *+++++++++ Angle PHI ALA 33 246.00 278.00 11 5.79 13.71 +++++ * + +++ + Angle PHI GLU- 45 283.00 303.00 10 6.46 16.45 + + *+ ++++++ Angle PHI THR 46 286.00 306.00 6 2.90 8.40 ++ * + ++ Angle PHI VAL 47 286.00 306.00 9 4.39 12.10 + + + ++ + + +* Angle PSI VAL 47 304.00 324.00 11 7.37 18.16 ++* +++ + + + ++ Angle PHI ILE 48 291.00 311.00 14 8.05 27.43 + ++ ++ + * +++ ++++ Angle PSI TRP 51 110.00 138.00 14 8.93 21.59 + ++ + +++ ++++*++ Angle PHI ARG+ 53 285.00 305.00 6 4.81 13.85 + +* + ++ Angle PSI ARG+ 53 314.00 334.00 19 17.22 39.72 ++++++++++*++++++ ++ Angle PHI GLU- 54 256.00 286.00 18 11.79 30.79 ++++ ++++*+++++++++ Angle PSI GLU- 54 331.00 13.00 9 5.24 17.91 + *++ + ++ ++ Angle PHI THR 61 232.00 276.00 9 4.70 12.57 + +*++++ + + Angle PHI VAL 62 289.00 309.00 6 4.39 14.20 *+ + + + + Angle PSI LEU 67 135.00 155.00 20 10.31 15.21 +++++++++*++++++++++ Angle PHI ILE 68 227.00 253.00 16 8.12 16.93 +++ ++ ++ ++*++++++ Angle PHI SER 69 218.00 274.00 7 3.00 10.52 + ++ ++ + * Angle PSI LYS+ 72 116.00 150.00 8 4.72 13.18 + + + ++ ++* Angle PHI VAL 73 244.00 278.00 8 5.58 17.97 *++ + + ++ + Angle PSI VAL 73 107.00 137.00 10 7.32 23.31 +++ +* ++++ + Angle PHI LEU 90 254.00 298.00 7 4.13 13.68 *+ + +++ + Angle PSI GLY 92 349.00 11.00 7 4.50 10.24 + + + +* + + Angle PHI ALA 93 251.00 297.00 19 11.40 20.56 ++++++++++++++++++ * Angle PSI VAL 94 119.00 147.00 19 11.36 17.04 + +++++*++++++++++++ Angle PSI THR 95 113.00 139.00 18 15.27 28.38 + +++++ +++++*++++++ Angle PHI THR 96 246.00 294.00 17 12.61 28.41 ++*++ ++++++++++++ Angle PSI THR 96 116.00 146.00 14 16.00 33.62 ++++ ++* ++ ++++ + Angle PHI MET 97 248.00 292.00 14 15.39 27.77 ++++ +++ *+ ++++ + Angle PSI MET 97 120.00 166.00 19 19.99 44.08 ++++++++++* ++++++++ Angle PHI HIS+ 98 248.00 288.00 20 22.87 44.34 ++++++++++*+++++++++ Angle PSI HIS+ 98 121.00 149.00 20 32.88 45.95 *+++++++++++++++++++ Angle PHI VAL 99 242.00 268.00 20 31.24 42.66 +*++++++++++++++++++ Angle PSI VAL 99 121.00 143.00 17 11.57 23.07 + ++++ ++++ ++++++*+ Angle PHI ILE 100 227.00 273.00 6 5.25 24.79 + *++ + + Angle PSI ILE 100 113.00 143.00 19 15.34 24.94 +++++++++++++*+++++ Angle PHI ILE 101 252.00 274.00 15 11.36 21.77 + +*+++++ + ++ ++++ Angle PSI ILE 101 107.00 131.00 8 5.07 18.42 +++ + + + *+ Angle PHI GLN 102 231.00 287.00 8 4.33 11.97 + + + + ++* + 106 violated distance constraints. 40 violated angle constraints. RMSDs for residues 20..108: Average backbone RMSD to mean : 2.43 +/- 0.55 A (1.63..3.57 A) Average heavy atom RMSD to mean : 3.05 +/- 0.55 A (2.22..4.19 A)