Structural statistics:
str target upper limits van der Waals torsion angles
function # sum max # sum max # sum max
1 109.34 42 78.1 1.99 77 54.1 0.53 54 957.9 55.56
2 112.61 45 75.8 2.01 71 55.2 0.69 52 959.3 57.23
3 113.84 50 84.0 1.98 85 56.8 0.57 53 895.2 41.36
4 120.21 53 78.6 1.75 82 65.5 0.62 52 999.3 48.51
5 123.62 53 81.7 1.86 86 64.4 0.81 49 951.0 54.85
6 124.12 60 86.8 2.01 111 67.5 0.70 59 1025.7 44.74
7 125.84 49 81.6 1.69 93 65.9 0.54 59 1095.8 66.76
8 126.04 53 84.7 2.14 104 71.6 0.77 58 976.1 46.80
9 126.42 53 83.2 2.11 95 64.9 0.61 62 1027.3 45.50
10 128.08 44 85.5 2.62 109 68.9 0.58 68 1145.8 48.39
11 128.15 51 85.7 2.19 92 65.4 0.71 61 1069.4 49.03
12 128.35 61 91.7 2.20 92 60.8 0.68 54 966.5 52.16
13 128.73 57 81.3 1.58 92 67.5 0.80 56 1097.3 53.92
14 130.33 53 87.2 1.82 87 64.2 0.65 53 1022.2 49.03
15 130.79 56 85.3 2.37 92 63.7 0.61 62 1134.9 48.57
16 131.23 48 79.6 1.62 103 70.6 0.85 56 1103.4 42.21
17 132.41 54 81.3 2.48 113 69.5 0.70 56 1041.4 54.08
18 132.79 53 85.1 2.07 91 61.6 0.72 57 1069.2 43.95
19 134.41 54 86.8 1.98 110 71.5 0.76 63 1106.0 42.48
20 135.20 58 96.9 2.17 115 72.3 0.83 53 878.3 58.38
Ave 126.12 52 84.1 2.03 95 65.1 0.69 57 1026.1 50.18
+/- 7.00 5 4.7 0.26 12 5.2 0.10 5 75.1 6.28
Min 109.34 42 75.8 1.58 71 54.1 0.53 49 878.3 41.36
Max 135.20 61 96.9 2.62 115 72.3 0.85 68 1145.8 66.76
Constraints violated in 6 or more structures:
Cutoffs: Upper distance limits : 0.60 A
Lower distance limits : 0.20 A
Angle constraints : 5.00 deg
# mean max. 1 5 10 15 20
Upper HB2 SER 49 - HD2 PRO 86 3.58 6 0.31 1.06 ++ * + ++ # peak 33 # SUP 0.92
HB2 SER 49 - HB2 SER 85 # SUP 1.07
HB2 SER 49 - HB3 SER 77 # SUP 1.38
Upper QG1 VAL 47 - HE3 TRP 51 4.99 8 0.46 1.43 +* ++ + + + + # peak 101 # SUP 1.00
QG2 VAL 47 - HE3 TRP 51 # SUP 1.27
QG1 VAL 47 - HN ASP- 82 # SUP 0.26
QG2 VAL 47 - HN ASP- 82 # SUP 0.11
Upper QG2 VAL 62 - HA GLU- 64 4.47 10 0.54 1.32 + ++ ++ ++ + *+ # peak 112 # SUP 0.68
QG2 VAL 62 - HA VAL 73 # SUP 0.02
QG1 VAL 47 - HA VAL 73 # SUP 0.02
QG1 VAL 47 - HA ASP- 82 # SUP 0.26
QG1 VAL 47 - HA GLU- 64 # SUP 0.02
QG2 VAL 62 - HA VAL 87 # SUP 0.02
Upper HN LYS+ 20 - QG2 VAL 94 5.50 11 0.65 1.68 ++ + ++ + *++ + + # peak 160 # SUP 1.07
HN SER 85 - QG2 VAL 94 # SUP 1.58
Upper HA ILE 68 - HA VAL 73 5.45 8 0.42 1.22 + +++ + + + * # peak 293 # SUP 3.29
Upper QG2 ILE 101 - QB ALA 103 4.74 8 0.38 1.31 +++ + + + + * # peak 789 # SUP 1.09
HG2 LYS+ 32 - QG2 ILE 101 # SUP 0.69
Upper HA ARG+ 53 - HB3 GLU- 54 4.50 13 0.69 1.14 + +++++ + * ++++ + # peak 938 # SUP 1.94
HA ARG+ 53 - HB3 GLU- 56 # SUP 0.18
Upper QG2 ILE 48 - HB3 LEU 67 5.09 8 0.46 1.17 + + ++*+ ++ # peak 955 # SUP 3.27
Upper HA GLU- 18 - QD1 ILE 68 5.03 11 0.63 1.41 *+++++ ++ + + + # peak 1096 # SUP 0.74
HA GLU- 18 - QG2 ILE 101 # SUP 1.66
Upper QD1 ILE 48 - HB2 SER 85 4.74 10 0.60 1.57 + +++ + + +*+ + # peak 1145 # SUP 2.06
QD1 ILE 48 - HB3 SER 77 # SUP 1.73
QD1 ILE 48 - HD3 PRO 86 # SUP 2.15
QD1 ILE 48 - HD2 PRO 86 # SUP 1.65
Upper HA ALA 91 - HA ALA 93 5.50 12 0.58 1.23 +*+ ++++ + +++ + # peak 1246 # SUP 0.69
HA ALA 91 - HA1 GLY 114 # SUP 0.08
Upper HD3 PRO 104 - HD2 PRO 112 3.73 7 0.50 1.17 ++ + * + + + # peak 1325 # SUP 2.25
Upper HB2 LEU 17 - HB3 GLU- 18 4.38 9 0.47 1.53 *+++ +++ ++ # peak 1396 # SUP 4.78
Upper HA1 GLY 30 - HA ILE 68 5.50 9 0.52 1.48 ++* + + + +++ # peak 1455 # SUP 1.96
Upper HG2 GLU- 18 - HA MET 97 5.50 7 0.53 1.49 + * ++ +++ # peak 1818 # SUP 1.17
HG2 GLU- 18 - HA LYS+ 113 # SUP 1.40
HG2 GLU- 18 - HA GLU- 107 # SUP 0.49
Upper HN LYS+ 60 - HB2 LYS+ 66 5.50 6 0.48 1.91 + * ++ ++ # peak 1911 # SUP 1.68
Upper HB3 MET 97 - HA VAL 99 5.50 10 0.68 1.52 + * ++ + + + + ++ # peak 1912 # SUP 1.90
HB3 MET 97 - HA ILE 100 # SUP 1.20
HA LYS+ 66 - HB3 MET 97 # SUP 0.13
Upper QB ALA 91 - HB2 PRO 116 5.20 10 0.58 1.28 ++ + *+ ++ + + + # peak 2058 # SUP 1.32
HG3 ARG+ 22 - HB2 PRO 116 # SUP 0.38
HG3 LYS+ 81 - HB2 PRO 116 # SUP 0.51
Upper HB3 GLU- 107 - HB2 LYS+ 108 2.55 7 0.56 0.80 * + + + + + + # peak 2222 # SUP 2.21
HB3 GLU- 107 - HB3 GLU- 109 # SUP 0.97
Upper HG LEU 17 - HA LEU 90 5.50 7 0.53 1.70 + * + + +++ # peak 2617 # SUP 1.89
HG LEU 17 - HA ILE 29 # SUP 1.59
HG LEU 17 - HA PRO 104 # SUP 1.97
HG LEU 17 - HA VAL 94 # SUP 0.36
Upper HG LEU 17 - QG2 ILE 29 4.38 15 1.22 2.37 ++ + ++++++ +*++++ # peak 2630 # SUP 0.68
HG LEU 17 - HG12 ILE 29 # SUP 1.25
Upper HN LEU 43 - QD2 LEU 74 5.27 6 0.40 1.28 ++ +* ++ # peak 2670 # SUP 1.34
Upper HG2 LYS+ 32 - HA LYS+ 55 5.50 11 0.54 1.26 +++ + +* + ++++ # peak 2714 # SUP 1.42
HG2 LYS+ 32 - HB THR 46 # SUP 0.58
HA ASN 76 - HG2 LYS+ 81 # SUP 0.90
HA SER 77 - HG2 LYS+ 81 # SUP 0.75
Upper QG1 VAL 99 - QG2 ILE 101 4.42 16 1.10 2.17 +++ +++++++++ +++ * # peak 3020 # SUP 1.04
QD1 ILE 68 - QG1 VAL 99 # SUP 0.30
HG3 LYS+ 66 - QG1 VAL 99 # SUP 0.02
Upper HA LYS+ 60 - HB THR 61 3.75 13 0.70 1.28 ++ + *++++ + ++ + + # peak 3343 # SUP 2.92
Upper QD2 LEU 17 - HD3 ARG+ 84 5.50 7 0.40 1.10 ++ + + + *+ # peak 3422 # SUP 0.38
QD2 LEU 17 - HB3 PHE 34 # SUP 0.14
QD2 LEU 17 - HD3 PRO 35 # SUP 0.02
Upper HA1 GLY 30 - HG2 LYS+ 32 5.50 7 0.40 1.16 + *+ ++ + + # peak 3457 # SUP 0.92
HD3 PRO 31 - HG2 LYS+ 32 # SUP 3.38
Upper HG13 ILE 19 - HN ILE 68 5.50 15 0.96 2.62 +++ ++++ * + ++++ ++ # peak 3489 # SUP 2.75
Upper HB2 GLU- 45 - HD3 PRO 86 5.50 8 0.47 1.09 + + + *+ + ++ # peak 3560 # SUP 1.45
HB3 GLU- 45 - HD3 PRO 86 # SUP 1.24
HB2 GLU- 45 - HB2 SER 85 # SUP 1.51
HB3 GLU- 45 - HB2 SER 85 # SUP 2.02
Upper HB3 LYS+ 20 - HG3 PRO 31 5.50 7 0.27 0.86 + + + + + +* # peak 3637 # SUP 1.95
HB2 LYS+ 20 - HG3 PRO 31 # SUP 2.36
HB2 LYS+ 20 - HB ILE 29 # SUP 2.76
HB3 LYS+ 20 - HB ILE 29 # SUP 2.81
Upper HD2 PRO 104 - HD2 PRO 112 2.72 10 0.62 1.50 + + ++ + + + ++* # peak 3765 # SUP 2.25
Upper QG2 ILE 29 - HN ILE 48 5.50 13 0.73 1.63 ++ + ++ *+++ ++ ++ # peak 3815 # SUP 1.04
HG12 ILE 29 - HN ILE 48 # SUP 0.68
Upper QG2 ILE 19 - QD PHE 34 5.50 6 0.32 1.08 + + * + + + # peak 563 # SUP 3.02
Upper HN LYS+ 66 - HB2 LEU 67 4.26 8 0.56 1.99 * ++ ++ + ++ # peak 25 # SUP 1.68
HN LYS+ 66 - HB3 MET 97 # SUP 0.13
Upper HN MET 97 - HA HIS+ 98 4.03 19 0.98 1.65 *++++++++++++++++++ # peak 71 # SUP 1.57
Upper HN LYS+ 20 - HN MET 97 4.68 8 0.57 2.07 + + ++ ++ * + # peak 73 # SUP 1.40
Upper HA ARG+ 84 - HN THR 95 3.34 13 0.74 2.14 +++ *++++ +++ ++ # peak 91 # SUP 1.53
HA ALA 91 - HN THR 95 # SUP 1.48
HA SER 85 - HN THR 95 # SUP 1.21
HA LEU 90 - HN THR 95 # SUP 1.27
HN THR 95 - HA2 GLY 114 # SUP 0.40
HN THR 95 - HA THR 106 # SUP 0.44
HN THR 95 - HA LYS+ 108 # SUP 0.09
Upper HN TRP 51 - HD2 PRO 52 3.57 8 0.57 1.15 *+ ++ ++ + + # peak 170 # SUP 3.63
Upper HN THR 96 - HB3 MET 97 4.96 14 0.82 2.01 *++ ++ + +++ +++++ # peak 191 # SUP 2.92
HB2 LEU 67 - HN THR 96 # SUP 0.67
Upper HN LEU 17 - HG2 GLU- 18 4.30 6 0.39 1.50 + + *++ + # peak 211 # SUP 4.91
HN LEU 17 - HB3 GLN 102 # SUP 1.82
HG2 GLU- 18 - HN THR 96 # SUP 1.21
Upper QB ALA 91 - HN ALA 93 3.37 6 0.29 0.85 + + *++ + # peak 290 # SUP 3.29
Upper HA LEU 90 - HN ALA 93 3.84 13 0.79 1.46 * +++ ++++++++ + # peak 291 # SUP 1.93
HN ALA 93 - HA THR 106 # SUP 0.14
Upper HN PHE 21 - HA2 GLY 30 3.91 7 0.53 2.48 + ++ + *++ # peak 312 # SUP 2.51
HN PHE 21 - HA PRO 31 # SUP 1.63
Upper HB3 ARG+ 53 - HN LYS+ 55 3.71 12 0.59 0.90 ++ +++ + ++++ + * # peak 413 # SUP 1.72
Upper HB3 GLU- 18 - HN LYS+ 113 4.15 9 0.65 1.58 +++ +*+++ + # peak 442 # SUP 1.72
HB VAL 94 - HN LYS+ 113 # SUP 0.48
Upper HG13 ILE 19 - HN ILE 68 4.52 7 0.54 1.44 + *+++ + + # peak 458 # SUP 2.75
HD3 LYS+ 20 - HN ILE 68 # SUP 0.81
HB2 LYS+ 20 - HN ILE 68 # SUP 1.48
QB ALA 42 - HN ILE 68 # SUP 0.16
HB3 LYS+ 20 - HN ILE 68 # SUP 0.57
QG2 THR 38 - HN ILE 68 # SUP 0.09
QG2 THR 39 - HN ILE 68 # SUP 0.02
Upper HN LEU 90 - HG3 LYS+ 110 3.43 6 0.46 1.16 * + ++ + + # peak 491 # SUP 0.50
HN LEU 90 - HG2 LYS+ 110 # SUP 0.81
HB3 LEU 17 - HN LEU 90 # SUP 0.39
Upper QB ALA 91 - HN VAL 94 3.98 12 0.70 1.83 + +++ ++ +++ + + * # peak 506 # SUP 2.27
HG13 ILE 19 - HN VAL 94 # SUP 0.65
HB3 LYS+ 20 - HN VAL 94 # SUP 0.58
HG3 LYS+ 20 - HN VAL 94 # SUP 1.33
HB2 LYS+ 20 - HN VAL 94 # SUP 0.81
HD3 LYS+ 20 - HN VAL 94 # SUP 0.35
Upper HA ALA 91 - HN VAL 94 3.09 12 0.88 1.98 +* ++ + ++ +++++ # peak 507 # SUP 3.42
HA SER 85 - HN VAL 94 # SUP 1.81
HA LEU 90 - HN VAL 94 # SUP 2.84
HA ARG+ 84 - HN VAL 94 # SUP 1.61
HN VAL 94 - HA THR 106 # SUP 0.73
Upper QB ALA 91 - HN VAL 94 4.37 6 0.35 0.83 + + ++ * + # peak 517 # SUP 2.27
HG13 ILE 19 - HN VAL 94 # SUP 0.65
HB3 LYS+ 20 - HN VAL 94 # SUP 0.58
HG3 LYS+ 20 - HN VAL 94 # SUP 1.33
HB2 LYS+ 20 - HN VAL 94 # SUP 0.81
HD3 LYS+ 20 - HN VAL 94 # SUP 0.35
HB3 LYS+ 20 - HN VAL 105 # SUP 0.91
Upper HA LYS+ 72 - HN VAL 94 4.80 6 0.40 1.27 + * + + ++ # peak 522 # SUP 0.98
HA LEU 17 - HN VAL 105 # SUP 0.41
HA LEU 17 - HN VAL 94 # SUP 0.08
Upper HN LEU 17 - HN LYS+ 32 4.31 7 0.53 1.35 *+ + +++ + # peak 531 # SUP 0.95
Upper HB3 MET 97 - HN VAL 99 4.62 7 0.39 1.54 * + + + + ++ # peak 540 # SUP 4.41
HB3 ARG+ 22 - HN VAL 99 # SUP 3.51
Upper HB3 LYS+ 20 - HN VAL 105 4.75 8 0.54 1.75 ++ * + + + + + # peak 559 # SUP 0.91
HB2 LYS+ 20 - HN VAL 105 # SUP 0.91
HD3 LYS+ 20 - HN VAL 105 # SUP 0.88
HG3 LYS+ 20 - HN VAL 105 # SUP 0.91
HB2 LEU 17 - HN VAL 105 # SUP 0.37
QB ALA 91 - HN VAL 105 # SUP 0.02
HG13 ILE 19 - HN VAL 105 # SUP 0.38
Upper HA ASN 76 - HN VAL 80 3.86 6 0.55 2.19 + + + *+ + # peak 660 # SUP 0.81
HA SER 77 - HN VAL 80 # SUP 0.75
Upper HN LEU 17 - HN PHE 34 4.50 9 0.53 1.18 +++ *+++ ++ # peak 691 # SUP 4.07
Upper HN THR 46 - HB2 GLU- 50 4.37 7 0.48 1.31 + ++ *++ + # peak 714 # SUP 1.20
Upper QG2 ILE 29 - HN GLU- 45 3.93 9 0.65 1.81 + + +++ + +*+ # peak 750 # SUP 1.94
HN GLU- 45 - QG2 VAL 62 # SUP 1.21
HG12 ILE 29 - HN GLU- 45 # SUP 1.99
HN GLU- 45 - HG12 ILE 68 # SUP 1.21
Upper QG2 ILE 29 - HN GLU- 45 4.16 7 0.42 1.43 + ++ + +*+ # peak 761 # SUP 1.94
HN GLU- 45 - QG2 VAL 62 # SUP 1.21
HG12 ILE 29 - HN GLU- 45 # SUP 1.99
HN GLU- 45 - HG12 ILE 68 # SUP 1.21
HN GLU- 45 - HG13 ILE 68 # SUP 1.44
Upper HA ALA 42 - HN GLU- 45 4.12 8 0.45 1.36 + *+++ +++ # peak 763 # SUP 3.52
HN GLU- 45 - HA SER 49 # SUP 1.62
Upper HN LYS+ 44 - HB3 LEU 67 4.31 6 0.37 1.49 +* + + + + # peak 780 # SUP 1.94
HN LYS+ 44 - QB ALA 70 # SUP 0.38
Upper HA1 GLY 26 - HN ASP- 28 3.43 9 0.58 1.86 ++ * + ++ + + + # peak 824 # SUP 2.23
HA2 GLY 26 - HN ASP- 28 # SUP 1.58
Upper HN GLY 30 - HN LYS+ 32 5.34 9 0.78 2.20 + +++ *++ + + # peak 919 # SUP 1.27
Upper HN SER 41 - HA ALA 42 4.32 16 0.66 1.00 ++++*+ ++++ ++++++ # peak 934 # SUP 1.31
Upper HN ILE 48 - HB3 LEU 67 3.94 14 0.91 1.69 ++ ++ * +++++++ + + # peak 950 # SUP 2.80
Upper HN SER 77 - HB2 LYS+ 78 4.83 6 0.42 1.07 + + + + + * # peak 1002 # SUP 2.45
Upper HN THR 24 - HA ASP- 115 3.93 6 0.48 1.46 + + ++ +* # peak 1091 # SUP 2.40
HN THR 24 - HA PRO 116 # SUP 1.26
HN THR 24 - HA LYS+ 113 # SUP 1.12
Upper HN PHE 21 - HB ILE 29 4.71 9 0.58 1.49 + *++ + + + ++ # peak 1144 # SUP 4.67
HN PHE 21 - HB2 LEU 23 # SUP 0.29
Angle PHI LEU 17 229.00 273.00 8 4.70 13.30 ++ ++ + + +*
Angle PSI LEU 17 116.00 146.00 13 9.49 23.90 + ++ +++++* +++ +
Angle PHI ILE 19 239.00 273.00 11 10.88 35.72 + +++++ +++ *+
Angle PSI ILE 19 124.00 144.00 13 14.86 45.50 ++++ +++* + ++++
Angle PHI LYS+ 20 204.00 242.00 11 7.56 20.41 + ++ +++ *+ ++ +
Angle PSI LYS+ 20 128.00 162.00 11 9.27 22.92 + +++ ++ + + +*+
Angle PHI PHE 21 237.00 261.00 12 10.38 39.66 + + + ++ ++* ++++
Angle PSI PHE 21 106.00 132.00 18 20.11 38.32 ++++++++++++ ++*+++
Angle PHI ARG+ 22 225.00 267.00 13 16.80 48.91 + + *+ + +++++ +++
Angle PSI ARG+ 22 107.00 141.00 13 6.66 17.36 + +++ + ++ + * ++++
Angle PHI THR 24 276.00 298.00 8 5.02 14.79 +++ ++ * ++
Angle PHI ASP- 28 210.00 256.00 16 13.59 36.14 ++ +* + ++++++++ +++
Angle PHI ILE 29 214.00 268.00 7 7.62 44.49 ++ + + + *+
Angle PSI ILE 29 109.00 149.00 12 8.43 22.34 +++++ +++ +* + +
Angle PSI PRO 31 128.00 150.00 15 18.89 54.85 + *++ +++++++++ ++
Angle PHI LYS+ 32 205.00 253.00 11 12.33 54.08 ++++ + +++ + * +
Angle PSI LYS+ 32 137.00 157.00 19 21.60 42.48 + ++++++++++++++++*+
Angle PHI ALA 33 246.00 278.00 19 21.70 39.23 ++++ +++++*+++++++++
Angle PSI ALA 33 120.00 148.00 17 14.54 35.86 +++ +++++*++++++ ++
Angle PSI SER 41 309.00 329.00 6 4.67 22.12 + *+ ++ +
Angle PHI ALA 42 282.00 302.00 7 4.05 11.22 + ++ * + ++
Angle PSI ALA 42 314.00 334.00 9 5.44 30.88 + + + + + *+++
Angle PSI LEU 43 314.00 338.00 15 11.90 33.99 +++ ++++ ++++ ++* +
Angle PSI LYS+ 44 314.00 10.00 10 10.92 39.46 +++ + ++ ++ *+
Angle PHI GLU- 45 283.00 303.00 10 10.47 39.05 + + + + +++ * ++
Angle PSI GLU- 45 311.00 337.00 13 11.86 44.74 + + +* ++++ ++ ++ +
Angle PHI THR 46 286.00 306.00 13 11.55 36.00 + +++* ++ ++++ ++
Angle PSI THR 46 307.00 333.00 9 9.18 39.27 + ++ * +++++
Angle PHI VAL 47 286.00 306.00 9 7.00 25.21 ++ + + *+++ +
Angle PSI VAL 47 304.00 324.00 9 5.51 20.24 ++ + + + +++ *
Angle PSI ILE 48 308.00 328.00 9 4.50 11.33 + * + ++ + +++
Angle PHI TRP 51 251.00 281.00 6 4.20 13.68 ++* + + +
Angle PSI TRP 51 110.00 138.00 13 7.30 26.67 + +++ ++ +++*+ ++
Angle PHI ARG+ 53 285.00 305.00 6 3.59 13.86 ++ + * + +
Angle PSI ARG+ 53 314.00 334.00 8 7.02 26.64 * + + + ++++
Angle PHI GLU- 54 256.00 286.00 9 5.84 24.72 * + + ++ + +++
Angle PHI THR 61 232.00 276.00 7 4.29 21.51 +* + + ++ +
Angle PHI VAL 62 289.00 309.00 6 4.74 18.48 + *++++
Angle PSI VAL 65 92.00 130.00 13 8.70 25.57 +++ +++ + +* +++ +
Angle PHI LYS+ 66 235.00 281.00 11 9.34 42.38 ++ +++ * ++ +++
Angle PSI LYS+ 66 118.00 152.00 14 10.33 23.22 ++++ ++*+++ ++ ++
Angle PHI LEU 67 223.00 259.00 15 12.32 26.91 +++ +++*+++ +++++
Angle PSI LEU 67 135.00 155.00 17 15.22 28.15 +++ + +++++++++++*+
Angle PHI ILE 68 227.00 253.00 20 25.80 46.92 ++++++++++++++++*+++
Angle PSI ILE 68 110.00 146.00 8 3.88 16.24 + + ++ ++ +*
Angle PSI SER 69 110.00 134.00 14 8.32 23.14 +++ +* ++ ++++++ +
Angle PHI LYS+ 72 235.00 261.00 8 5.01 26.75 + + + + + + + *
Angle PSI LYS+ 72 116.00 150.00 14 9.51 17.68 +++ +++++++* +++
Angle PHI VAL 73 244.00 278.00 9 6.01 21.93 +* ++ +++ + +
Angle PSI VAL 73 107.00 137.00 8 5.99 24.18 + ++ *+ + + +
Angle PSI ASN 76 320.00 344.00 7 4.40 12.19 + + ++* + +
Angle PHI THR 79 222.00 272.00 16 8.64 17.82 ++ +++ ++* ++++++++
Angle PSI THR 79 148.00 174.00 18 13.66 48.32 ++++++++++* + ++++++
Angle PHI VAL 80 284.00 304.00 6 3.53 13.85 + ++ + + *
Angle PSI ARG+ 84 118.00 162.00 7 7.18 44.65 +++ ++ *+
Angle PHI SER 85 256.00 276.00 9 9.78 49.03 ++++ + * + ++
Angle PSI SER 85 113.00 153.00 12 13.01 48.57 + + +++++ *+ +++
Angle PHI LEU 90 254.00 298.00 6 3.91 15.52 ++ +++ *
Angle PSI LEU 90 119.00 151.00 12 7.20 20.49 ++ +++ ++ + *+++
Angle PHI GLY 92 77.00 97.00 12 6.61 14.19 +++++ + + *+ + ++
Angle PSI GLY 92 349.00 11.00 17 21.73 42.49 +++ ++++++++*+ ++++
Angle PHI ALA 93 251.00 297.00 19 28.56 53.92 +++ ++++++++*+++++++
Angle PSI ALA 93 109.00 151.00 17 33.33 58.38 +++++ + ++++++++ ++*
Angle PHI VAL 94 245.00 279.00 15 13.84 33.94 ++ ++++ ++* ++++++
Angle PSI VAL 94 119.00 147.00 15 10.31 22.11 +++ + +++* +++++++
Angle PHI THR 95 219.00 273.00 7 4.52 22.03 + +* + + ++
Angle PSI THR 95 113.00 139.00 15 19.52 66.76 + +++*++++++ + +++
Angle PHI THR 96 246.00 294.00 14 17.92 46.36 + + +*++ ++++++++
Angle PSI THR 96 116.00 146.00 15 13.42 35.47 +++ + +++++++* + ++
Angle PHI MET 97 248.00 292.00 20 16.13 30.70 +++++++++++++*++++++
Angle PSI MET 97 120.00 166.00 12 11.91 43.38 +*+ +++++ ++ + +
Angle PHI HIS+ 98 248.00 288.00 12 9.68 28.02 ++ ++ *+++++ + +
Angle PSI HIS+ 98 121.00 149.00 18 22.51 52.00 ++++++*+++++++++ ++
Angle PHI VAL 99 242.00 268.00 20 30.91 48.08 +*++++++++++++++++++
Angle PSI VAL 99 121.00 143.00 20 27.83 44.98 +++*++++++++++++++++
Angle PHI ILE 100 227.00 273.00 17 16.18 39.97 +++ +++*++++ ++++++
Angle PSI ILE 100 113.00 143.00 14 13.72 40.75 +++ ++ ++ +++ +*++
Angle PHI ILE 101 252.00 274.00 13 8.70 26.24 ++ + ++ +++ ++*++
Angle PSI ILE 101 107.00 131.00 14 15.80 47.39 +*+ +++ +++ + ++ ++
Angle PHI GLN 102 231.00 287.00 17 17.21 31.60 +++ +++ ++++++++++*
Angle PSI GLN 102 122.00 152.00 13 10.66 34.64 +++++ ++++ ++* +
Angle PHI VAL 105 255.00 287.00 11 7.74 25.96 ++ + *+++ + + + +
Angle PSI VAL 105 109.00 151.00 10 6.56 28.22 + + +*++ + + ++
Angle PHI THR 106 251.00 289.00 12 6.87 23.21 + ++ *+ +++ ++ ++
Angle PSI THR 106 112.00 150.00 7 3.59 9.89 +*+ ++ ++
68 violated distance constraints.
85 violated angle constraints.
RMSDs for residues 20..108:
Average backbone RMSD to mean : 7.03 +/- 1.94 A (4.78..10.44 A)
Average heavy atom RMSD to mean : 7.53 +/- 1.86 A (5.23..11.62 A)