Structural statistics:
str target upper limits van der Waals torsion angles
function # sum max # sum max # sum max
1 152.84 165 134.0 2.73 71 53.1 0.63 52 1020.2135.49
2 154.12 198 145.4 1.39 76 56.1 0.69 60 1012.9150.77
3 156.90 202 148.6 2.16 84 57.7 0.62 57 1003.2 87.42
4 157.81 190 140.8 1.68 67 49.5 0.72 67 1140.4120.49
5 157.90 177 145.9 2.40 70 55.1 0.79 60 971.1 75.53
6 158.92 193 149.2 2.57 76 58.4 0.75 55 960.9 74.97
7 160.16 205 149.5 1.73 89 61.2 1.02 58 1001.2107.86
8 161.94 183 147.3 2.04 92 59.1 0.66 61 1029.8 88.66
9 162.01 187 145.8 1.91 79 60.0 1.01 63 1043.7 98.18
10 163.51 211 150.2 2.75 75 52.8 0.68 63 1047.4130.17
11 164.73 205 152.9 2.18 76 56.8 0.61 57 1048.0 87.90
12 171.98 197 150.4 2.42 85 56.0 0.74 65 1199.4113.34
13 171.99 204 153.3 2.60 88 60.8 0.90 59 994.7 76.85
14 172.61 209 155.7 1.61 88 61.0 0.72 61 1151.3101.55
15 172.87 210 158.3 2.65 85 59.0 0.74 54 941.0 74.08
16 173.46 198 150.0 1.62 80 55.8 0.84 65 1157.2120.16
17 173.67 207 158.3 2.58 78 59.8 0.78 56 1026.2 75.73
18 174.05 192 147.3 2.72 74 55.3 0.70 60 1153.7134.53
19 174.28 187 151.7 2.44 103 64.5 0.67 56 1057.0 78.58
20 175.01 205 156.2 1.47 86 59.4 0.72 65 1173.6125.51
Ave 165.54 196 149.5 2.18 81 57.6 0.75 60 1056.6102.89
+/- 7.55 12 5.7 0.45 8 3.4 0.11 4 75.6 23.88
Min 152.84 165 134.0 1.39 67 49.5 0.61 52 941.0 74.08
Max 175.01 211 158.3 2.75 103 64.5 1.02 67 1199.4150.77
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 HA2 GLY 5 - HN GLU- 6 3.24 13 0.26 0.40 ++++ *+ +++ ++++ # peak 686 # SUP 2.49
Upper HN GLU- 6 - QG2 VAL 7 4.96 12 0.39 0.71 +++* ++++ +++ + # peak 691 # SUP 3.55
Upper HN GLU- 6 - QG1 VAL 7 5.13 11 0.34 0.63 + ++ ++ + ++++* # peak 692 # SUP 3.55
Upper HN VAL 7 - HD2 ARG+ 88 4.92 6 0.20 0.61 + + + ++ * # peak 703 # SUP 0.02
Upper HN VAL 7 - HN TYR 86 4.58 7 0.23 0.77 + * ++++ + # peak 707 # SUP 3.47
Upper QG GLU- 6 - HN GLN 8 4.02 6 0.28 0.55 ++ *+ ++ # peak 715 # SUP 4.10
HN GLN 8 - HB2 PHE 84 # SUP 0.42
Upper HN PHE 9 - QE MET 10 4.95 17 0.69 1.10 +++++++++++ +++++* # peak 748 # SUP 2.28
HN PHE 9 - HB3 LYS+ 11 # SUP 0.47
Upper HN LYS+ 11 - QD LYS+ 11 4.49 7 0.27 0.38 + +* + + ++ # peak 778 # SUP 5.38
HN LYS+ 11 - QB PRO 12 # SUP 3.29
Upper HN LYS+ 11 - QD2 LEU 76 5.35 9 0.26 0.89 ++ + + + ++ + * # peak 780 # SUP 2.12
HN LYS+ 11 - QD1 LEU 76 # SUP 0.52
Upper QG PRO 12 - HN PHE 13 4.40 20 0.58 0.62 +++++++++++*++++++++ # peak 796 # SUP 6.05
Upper HB3 LYS+ 11 - HN PHE 13 4.83 15 0.53 1.02 +*+++++++++ + +++ # peak 797 # SUP 2.43
QE MET 10 - HN PHE 13 # SUP 0.77
Upper HN PHE 13 - QG2 ILE 14 5.20 13 0.34 0.59 +*++++ + ++++ ++ # peak 800 # SUP 5.12
HN PHE 13 - QD2 LEU 82 # SUP 1.99
Upper HN GLU- 16 - HB2 LYS+ 17 4.07 13 0.51 1.41 +++ ++ +*+ + + +++ # peak 851 # SUP 6.96
Upper HN ASP- 41 - HB3 LEU 42 5.02 17 0.48 0.94 +*++++++++++ ++ +++ # peak 852 # SUP 4.43
Upper HG12 ILE 14 - HN SER 18 5.16 12 0.35 0.72 ++ ++ ++++++ + * # peak 887 # SUP 1.88
Upper HB2 SER 15 - HN SER 19 5.17 18 0.49 0.86 ++++++++ *+++++ ++++ # peak 896 # SUP 1.51
HN SER 19 - HA LYS+ 72 # SUP 0.75
Upper HN SER 19 - HA GLU- 23 4.66 7 0.22 0.44 + +++ + *+ # peak 897 # SUP 2.77
HB3 SER 15 - HN SER 19 # SUP 3.25
Upper HN SER 19 - HB2 LYS+ 20 5.24 16 0.56 1.09 ++*+++++ ++++++++ # peak 899 # SUP 2.63
Upper HN LYS+ 20 - HA LEU 22 4.70 17 0.69 0.97 +++++++ ++++++++* + # peak 909 # SUP 1.79
HA LYS+ 17 - HN LYS+ 20 # SUP 0.33
Upper HN LYS+ 20 - HB3 GLU- 23 4.11 17 0.56 1.45 +++ ++++++ ++++++*+ # peak 912 # SUP 2.50
HN LYS+ 20 - HG3 LYS+ 72 # SUP 1.44
Upper HN LYS+ 20 - HB2 GLU- 23 4.02 8 0.42 1.39 +*+ + ++ + + # peak 913 # SUP 2.52
HB ILE 14 - HN LYS+ 20 # SUP 0.75
Upper HN SER 21 - HA THR 64 4.63 6 0.28 1.35 +* + + + + # peak 921 # SUP 3.41
Upper HN SER 21 - HB2 GLU- 23 4.26 18 0.60 0.99 ++++++++++++ ++*+++ # peak 927 # SUP 2.22
HB ILE 14 - HN SER 21 # SUP 0.55
Upper HN LEU 22 - HA PHE 62 5.37 12 0.46 1.23 + +++*++ + +++ + # peak 935 # SUP 2.26
Upper HN LEU 22 - HB3 TRP 67 5.37 11 0.28 1.00 + ++ +++*++ + + # peak 941 # SUP 0.02
HB2 PHE 13 - HN LEU 22 # SUP 0.02
Upper QD LYS+ 11 - HN LEU 22 5.29 10 0.25 0.56 +++ + *+ + + + + # peak 944 # SUP 3.86
Upper HN LEU 22 - QG2 THR 64 4.65 9 0.33 0.86 +++ ++ * + + + # peak 947 # SUP 4.16
HN LEU 22 - QD2 LEU 82 # SUP 0.37
Upper HN ILE 24 - QG2 VAL 61 4.37 15 0.51 1.13 *+ ++++++++ ++ + ++ # peak 976 # SUP 3.35
HG LEU 22 - HN ILE 24 # SUP 3.07
Upper HD3 PRO 25 - HN LEU 26 4.35 20 0.79 1.05 +++++++++++++++++++* # peak 983 # SUP 4.55
HB ILE 24 - HN LEU 26 # SUP 0.80
Upper HN ALA 34 - HD3 PRO 37 5.14 6 0.25 1.07 ++ + + + * # peak 1057 # SUP 0.75
Upper HG2 PRO 33 - HN ALA 34 3.66 20 0.83 1.29 +*++++++++++++++++++ # peak 1059 # SUP 1.99
Upper HN PHE 36 - HA PRO 37 3.86 20 1.00 1.61 ++*+++++++++++++++++ # peak 1063 # SUP 3.03
Upper HN PHE 36 - HB2 PRO 37 4.36 20 1.56 2.21 ++++++++++++++++++*+ # peak 1067 # SUP 3.15
Upper HB2 PRO 33 - HN ILE 38 4.45 14 0.61 1.28 ++ *++ + ++++++ ++ # peak 1074 # SUP 1.50
Upper HN ILE 38 - HN THR 39 4.04 8 0.17 0.63 * ++ +++ + + # peak 1080 # SUP 6.45
Upper HB2 PRO 33 - HN THR 39 4.80 9 0.38 1.21 ++++ + +* + + # peak 1085 # SUP 2.76
Upper HG12 ILE 38 - HN VAL 40 4.83 19 0.70 1.42 ++++ ++++++*++++++++ # peak 1101 # SUP 1.60
HN VAL 40 - HB2 LYS+ 55 # SUP 0.34
Upper QG1 VAL 40 - HN LEU 42 4.74 10 0.38 1.12 ++ + + + *++ + + # peak 1115 # SUP 2.60
Upper HN LEU 43 - QG2 VAL 52 4.50 11 0.34 1.11 + ++ + +++ ++ *+ # peak 1129 # SUP 1.62
HN LEU 43 - HB3 ARG+ 48 # SUP 0.68
Upper HA SER 49 - HN THR 51 5.07 18 0.82 1.33 +++++++++++++++ +*+ # peak 1168 # SUP 1.60
Upper HN ARG+ 53 - QB MET 54 4.22 20 1.07 1.39 ++++++++++++++*+++++ # peak 1195 # SUP 0.02
HN ARG+ 53 - QB PHE 70 # SUP 0.02
HN ARG+ 53 - QB LYS+ 72 # SUP 0.02
HB3 PRO 33 - HN ARG+ 53 # SUP 0.02
Upper HA ILE 38 - HN MET 54 5.01 19 0.71 1.61 ++++++ ++++++*++++++ # peak 1202 # SUP 0.57
HA PRO 33 - HN MET 54 # SUP 0.72
Upper HN MET 54 - HG3 LYS+ 56 4.83 20 0.69 1.10 ++++++++++++*+++++++ # peak 1203 # SUP 2.86
QG2 VAL 52 - HN MET 54 # SUP 1.49
Upper HN LYS+ 55 - HA THR 64 4.77 20 1.06 1.29 +++++++++++++++++++* # peak 1216 # SUP 2.95
Upper QD1 ILE 38 - HN LYS+ 56 4.43 9 0.33 1.09 + +++ + ++ * + # peak 1232 # SUP 0.82
HN LYS+ 56 - QG2 THR 64 # SUP 1.75
Upper HN ARG+ 57 - HA LYS+ 60 4.27 6 0.26 0.52 + + * ++ + # peak 1242 # SUP 1.68
HN GLY 58 - HA LYS+ 60 # SUP 0.69
Upper HN ARG+ 57 - QG1 VAL 61 4.87 7 0.22 0.59 +++ ++ * + # peak 1247 # SUP 2.06
HN GLY 58 - QG1 VAL 61 # SUP 0.42
Upper HN PHE 62 - QD1 LEU 63 5.32 7 0.31 0.52 + ++ +*+ + # peak 1265 # SUP 3.52
Upper HN SER 21 - HE1 TRP 67 4.83 17 0.70 1.63 + ++++++ + +*+++++++ # peak 1289 # SUP 2.66
Upper HN THR 64 - HB VAL 65 4.60 15 0.53 1.31 +++ + +++++++*+ ++ # peak 1315 # SUP 1.62
Upper QG2 VAL 65 - HN GLU- 68 4.68 13 0.41 0.90 + +++++ ++++*+ + # peak 1363 # SUP 1.74
Upper HN ASN 69 - QG1 VAL 71 5.30 7 0.19 0.60 + + + * + + + # peak 1376 # SUP 3.52
Upper HD21 ASN 69 - HA LYS+ 72 5.04 20 0.75 1.15 ++++++++++++++*+++++ # peak 1380 # SUP 0.02
Upper HG3 GLU- 68 - HN PHE 70 3.95 18 0.49 0.79 +++++ ++++++++++++ * # peak 1426 # SUP 5.10
Upper HN LEU 76 - HG LEU 82 5.12 9 0.34 0.74 +* ++ + + + ++ # peak 1482 # SUP 1.90
Upper HB3 SER 15 - HN ASP- 78 5.01 7 0.25 0.71 * ++ + + + + # peak 1515 # SUP 1.97
HA LEU 76 - HN ASP- 78 # SUP 1.74
Upper QG2 ILE 14 - HN ASP- 78 5.12 10 0.31 0.82 + ++ ++++ * + + # peak 1520 # SUP 3.52
Upper HN PHE 13 - HN TYR 81 4.95 17 0.87 1.37 ++ ++ +++ ++++*+++++ # peak 1549 # SUP 0.80
Upper HN ILE 85 - HN VAL 94 5.04 6 0.30 1.11 + ++ +* + # peak 1569 # SUP 4.97
Upper HN ILE 85 - QG2 VAL 94 4.91 15 0.45 0.99 ++++++*+ ++++ +++ # peak 1572 # SUP 1.84
Upper HB2 PHE 9 - HN TYR 86 4.77 7 0.23 0.73 * ++ + +++ # peak 1590 # SUP 1.03
Upper HN ASP- 89 - HN THR 91 4.44 10 0.26 0.64 ++ ++ + + + *++ # peak 1620 # SUP 4.43
Upper HN ARG+ 90 - QG2 THR 91 5.18 15 0.39 0.61 *+++++++++++++ + # peak 1637 # SUP 3.49
Upper HB2 ASP- 89 - HN THR 91 4.55 7 0.18 0.44 + *+ + + + + # peak 1644 # SUP 3.62
HD3 ARG+ 88 - HN THR 91 # SUP 1.07
Upper HB3 ASP- 41 - HN THR 91 4.97 6 0.21 0.58 + ++ ++* # peak 1645 # SUP 1.77
Upper HN ILE 85 - HN ILE 95 5.26 13 0.38 0.77 * +++ ++ ++++++ + # peak 1676 # SUP 4.60
HN TYR 86 - HN ILE 95 # SUP 0.81
Upper HA GLU- 6 - QG GLU- 6 3.03 12 0.30 0.33 + + ++ *++++ + ++ # peak 50 # SUP 3.00
Upper HA LYS+ 11 - QD LYS+ 11 3.34 10 0.22 0.80 + ++ +++ + +* + # peak 106 # SUP 5.36
HA LYS+ 11 - QB PRO 12 # SUP 6.08
Upper QG2 ILE 14 - HG12 ILE 14 2.73 20 0.47 0.48 ++++++++*+++++++++++ # peak 163 # SUP 5.53
Upper HB ILE 14 - QD1 ILE 14 2.83 20 0.36 0.37 ++++++++*+++++++++++ # peak 179 # SUP 7.25
Upper HA LYS+ 17 - QD LYS+ 17 3.31 17 0.60 0.89 +++ *+++ ++++++++ ++ # peak 209 # SUP 6.25
Upper HA LYS+ 17 - HG2 LYS+ 17 3.41 6 0.13 0.41 + + ++ *+ # peak 225 # SUP 7.28
Upper HG3 LYS+ 17 - QE LYS+ 17 3.00 10 0.21 0.35 + ++ *+ ++ ++ + # peak 238 # SUP 6.40
Upper HA LEU 22 - QD1 LEU 22 3.30 16 0.37 0.52 +++ + ++++++++++*+ # peak 673 # SUP 6.29
Upper QG2 ILE 24 - QD1 ILE 24 2.45 6 0.23 0.82 +* ++ ++ # peak 1086 # SUP 7.23
Upper HA GLU- 6 - HN VAL 7 2.80 6 0.26 0.59 ++ ++ *+ # peak 1509 # SUP 3.92
HN GLY 5 - HA GLU- 6 # SUP 2.53
Upper HA2 GLY 5 - QG GLN 8 4.17 14 0.33 0.55 +++ ++++ *++ ++++ # peak 1510 # SUP 0.75
Upper QG2 VAL 7 - HG2 ARG+ 88 3.77 8 0.27 0.54 + +* + + + ++ # peak 1514 # SUP 1.74
Upper HB2 GLN 8 - QG2 ILE 85 3.92 18 0.62 1.04 + ++++++++*++++++++ # peak 1517 # SUP 5.62
Upper QG1 VAL 7 - HB3 TYR 86 3.93 7 0.34 1.25 + + + + ++* # peak 1523 # SUP 1.50
Upper QG2 VAL 7 - HN GLN 8 3.69 18 0.52 0.69 +++ ++++++ ++++++++* # peak 1542 # SUP 6.10
Upper QG1 VAL 7 - HN GLN 8 3.41 6 0.20 0.44 + ++ +*+ # peak 1548 # SUP 6.10
Upper HN GLN 8 - HB3 GLN 8 3.52 19 0.36 0.45 ++ *++++++++++++++++ # peak 1556 # SUP 5.95
Upper QG GLN 8 - HN PHE 9 3.76 20 0.58 0.83 ++++++++++++++++++*+ # peak 1558 # SUP 3.16
Upper HB2 PHE 9 - HN MET 10 4.00 13 0.32 0.52 + ++++++ + +++*+ # peak 1565 # SUP 3.27
Upper HA MET 10 - HA GLN 83 3.46 17 0.89 1.43 + ++++++ +*++++++++ # peak 1566 # SUP 2.94
Upper QE MET 10 - HA GLN 83 4.05 6 0.20 0.76 + + + + +* # peak 1588 # SUP 1.49
Upper QE LYS+ 11 - QD PRO 12 3.45 6 0.24 1.09 ++ * +++ # peak 1596 # SUP 5.37
QE LYS+ 11 - HB2 SER 21 # SUP 1.46
Upper QG PRO 12 - HN PHE 13 4.06 20 0.65 0.75 +++++++++++++++++++* # peak 1611 # SUP 6.05
HN MET 10 - QG PRO 12 # SUP 0.87
QG PRO 12 - HN LEU 82 # SUP 1.21
Upper HN MET 10 - HA LYS+ 11 3.73 20 0.81 0.94 ++++++++++++++++*+++ # peak 1614 # SUP 3.35
HA LYS+ 11 - HN PHE 13 # SUP 4.17
HN PHE 13 - HA LEU 82 # SUP 1.81
Upper HB2 LYS+ 11 - HA PHE 13 4.22 20 0.80 1.13 ++++++++++++++++*+++ # peak 1616 # SUP 0.70
Upper HA PHE 13 - HB ILE 14 4.09 6 0.21 0.40 + ++*+ + # peak 1617 # SUP 5.12
HA PHE 13 - HB2 GLU- 23 # SUP 0.75
Upper HA PHE 13 - QD1 ILE 14 4.11 17 0.40 0.52 ++++++++++++*+++ + # peak 1619 # SUP 5.67
Upper HB3 PHE 13 - HG LEU 82 4.16 13 0.60 1.73 ++++* ++++++ + + # peak 1628 # SUP 0.75
Upper QG2 ILE 14 - HA LYS+ 17 3.63 19 0.55 0.73 ++++*+++++++ +++++++ # peak 1638 # SUP 4.14
Upper HN ILE 14 - QG2 ILE 14 3.41 13 0.32 0.40 +* ++ ++ +++++++ # peak 1641 # SUP 7.61
Upper HN ILE 14 - HG13 ILE 14 4.11 16 0.42 0.65 ++++++ ++*++++++ + # peak 1649 # SUP 6.52
Upper QD1 ILE 14 - HN LYS+ 17 3.94 20 0.71 1.03 *+++++++++++++++++++ # peak 1653 # SUP 5.13
Upper HN PHE 13 - QD1 ILE 14 4.21 7 0.24 0.44 + + ++ * + + # peak 1655 # SUP 5.64
Upper HA GLU- 68 - HB VAL 71 3.29 7 0.34 1.11 ++ * + + + + # peak 1658 # SUP 3.24
HA GLU- 68 - QB PHE 70 # SUP 2.52
Upper HA GLU- 16 - QD1 LEU 26 4.02 12 0.58 1.56 ++ ++ *+ ++++ + + # peak 1665 # SUP 2.39
HA GLU- 16 - QD2 LEU 26 # SUP 3.08
Upper HB2 GLU- 16 - QD1 LEU 26 3.39 6 0.26 0.61 + + +*+ + # peak 1668 # SUP 2.39
HB2 GLU- 16 - QD2 LEU 26 # SUP 1.99
Upper HB3 GLU- 16 - QD1 LEU 26 3.35 19 0.72 1.12 +*++++++++++++++ +++ # peak 1669 # SUP 2.39
HB3 GLU- 16 - QD2 LEU 26 # SUP 2.38
Upper HB3 GLU- 16 - HN LYS+ 17 3.81 17 0.46 0.70 +++++++ ++++*++++ + # peak 1671 # SUP 7.09
Upper QG GLU- 16 - HN LYS+ 17 3.75 7 0.22 0.42 ++ + + ++ * # peak 1677 # SUP 7.64
Upper HB2 SER 15 - HN GLU- 16 3.85 6 0.20 0.48 + + +*+ + # peak 1692 # SUP 5.55
Upper HB3 LYS+ 17 - HN SER 18 4.02 13 0.36 0.66 + ++ +++*+++++ + # peak 1697 # SUP 8.71
Upper HN LYS+ 17 - HG3 LYS+ 17 3.59 11 0.31 0.67 ++ ++ + + *+ ++ + # peak 1700 # SUP 9.24
Upper HN LYS+ 17 - HB3 SER 18 4.00 17 0.46 0.72 + ++ +++++ ++++++++* # peak 1706 # SUP 5.80
Upper HN LYS+ 17 - HB2 SER 18 3.69 16 0.66 1.01 +*++++ +++++++++ + # peak 1709 # SUP 6.39
Upper HB2 LYS+ 20 - HG3 LYS+ 72 3.40 19 0.89 1.98 +++++++++++++*+++++ # peak 1710 # SUP 1.41
HB2 LYS+ 20 - HB3 GLU- 23 # SUP 1.55
Upper QD1 LEU 22 - QD1 LEU 82 3.20 14 0.36 0.93 *++++ + + +++ ++++ # peak 1742 # SUP 1.46
QD1 LEU 22 - HB3 LEU 63 # SUP 3.02
Upper QE LYS+ 11 - QD1 LEU 22 3.60 6 0.19 0.56 + + + + *+ # peak 1744 # SUP 5.12
Upper QD2 LEU 22 - HG LEU 42 3.02 10 0.33 0.81 ++ +*+++++ + # peak 1750 # SUP 1.40
HD2 LYS+ 55 - QD2 LEU 63 # SUP 4.25
QD2 LEU 22 - HG LEU 82 # SUP 0.75
HG3 ARG+ 53 - QD2 LEU 63 # SUP 3.31
HG2 ARG+ 53 - QD2 LEU 63 # SUP 2.52
Upper HA GLU- 23 - QG2 ILE 24 4.33 15 0.46 0.74 +++ + ++++++*++++ # peak 1755 # SUP 5.28
QD2 LEU 22 - HA GLU- 23 # SUP 6.86
Upper QD1 LEU 22 - HN GLU- 23 4.20 15 0.63 1.26 +++++ ++*+++++ ++ # peak 1766 # SUP 6.83
Upper QD2 LEU 63 - HA THR 64 3.64 20 0.95 1.17 +++*++++++++++++++++ # peak 1767 # SUP 3.99
HA LYS+ 55 - QD2 LEU 63 # SUP 3.26
QD2 LEU 22 - HA THR 64 # SUP 1.46
Upper HN ILE 14 - HB2 GLU- 23 4.42 9 0.32 0.93 ++ + *+++ + + # peak 1785 # SUP 1.30
Upper QD2 LEU 22 - HN GLU- 23 3.37 12 0.45 0.96 ++ ++ *++++++ + # peak 1789 # SUP 7.59
HN GLU- 23 - QD2 LEU 63 # SUP 2.01
Upper HN ILE 14 - HG3 GLU- 23 4.41 14 0.58 1.33 ++ ++ ++++*++++ + # peak 1792 # SUP 0.75
Upper QD1 ILE 24 - HD2 PRO 25 3.71 8 0.38 0.90 ++ + + +* + + # peak 1819 # SUP 5.86
Upper QD1 ILE 24 - HG LEU 63 3.04 14 0.34 0.76 +++++++*+++++ + # peak 1820 # SUP 1.25
QD1 ILE 24 - HB3 LEU 63 # SUP 1.85
QD1 ILE 24 - QG LYS+ 60 # SUP 0.44
Upper HN LYS+ 17 - HA SER 19 4.22 20 0.92 1.09 ++++++++++++++++++*+ # peak 1842 # SUP 2.76
Upper QD1 LEU 26 - HB2 GLU- 59 3.27 8 0.26 0.52 + + ++ + *++ # peak 1871 # SUP 3.58
Upper QG GLU- 16 - QD1 LEU 26 3.16 6 0.21 0.48 * + ++ + + # peak 1872 # SUP 3.19
HB2 PRO 25 - QD1 LEU 26 # SUP 4.37
Upper QD1 LEU 26 - HN GLY 27 4.06 19 0.67 1.11 +++++++++++*++++ +++ # peak 1886 # SUP 6.24
Upper QB GLU- 30 - HA TYR 31 3.60 12 0.29 0.47 *++ ++ +++++ + + # peak 1916 # SUP 3.00
HD3 LYS+ 55 - HB THR 64 # SUP 1.36
Upper HA LYS+ 55 - HD3 LYS+ 55 3.39 7 0.24 0.48 + + + + + * + # peak 1917 # SUP 5.26
HD3 LYS+ 55 - HA THR 64 # SUP 1.26
Upper HA GLU- 30 - HN TYR 31 3.11 12 0.30 0.45 ++ *+ + ++ +++ ++ # peak 1921 # SUP 3.30
HA GLU- 30 - HN LYS+ 60 # SUP 0.24
Upper QB ALA 34 - QG PRO 37 3.73 7 0.53 1.73 ++ + + + + * # peak 1938 # SUP 2.25
Upper QB ALA 34 - HD2 PRO 37 4.09 12 0.63 1.34 ++++ ++ + +++ + * # peak 1952 # SUP 1.74
Upper HN PHE 36 - QG PRO 37 4.09 15 0.77 1.61 + +++++++ + ++++*+ # peak 1954 # SUP 3.03
Upper HB3 PRO 33 - HD2 PRO 35 3.42 19 1.74 2.75 ++++++++ *++++++++++ # peak 1968 # SUP 1.70
HG3 PRO 33 - HD2 PRO 35 # SUP 1.19
HD2 PRO 35 - QB MET 54 # SUP 0.13
HD2 PRO 35 - HB3 ARG+ 90 # SUP 0.02
Upper HN TYR 31 - HA PHE 32 3.79 20 0.53 0.71 +++++++++++++*++++++ # peak 1991 # SUP 2.24
HA PHE 32 - HN THR 39 # SUP 0.49
Upper HB2 PRO 33 - HN THR 39 4.31 15 0.71 1.60 ++++ +++++*+++ ++ # peak 2004 # SUP 2.76
HN TYR 31 - HB2 PRO 33 # SUP 0.47
Upper HB2 PRO 33 - HG13 ILE 38 4.03 11 0.52 2.42 ++ ++++ *++ + + # peak 2006 # SUP 0.02
HB2 PRO 33 - HB2 LEU 63 # SUP 0.02
Upper HB3 PRO 33 - QE MET 54 3.40 8 0.32 0.80 + ++ *+ ++ + # peak 2010 # SUP 3.09
HB3 PRO 33 - HD3 LYS+ 56 # SUP 1.07
Upper HB3 PRO 33 - HD3 PRO 35 3.69 14 0.41 0.99 + + +++++*+ +++++ # peak 2013 # SUP 2.10
HB3 PRO 33 - HE2 LYS+ 56 # SUP 4.34
Upper HA ILE 38 - QD1 ILE 38 3.16 13 0.46 0.96 ++ + + + +++ + +++* # peak 2056 # SUP 6.27
Upper HA ILE 38 - HG13 ILE 38 3.38 14 0.52 0.87 +++++++ + +*+++ + # peak 2057 # SUP 6.00
Upper QG2 ILE 38 - HG12 ILE 38 2.79 9 0.20 0.44 * + + + +++ + + # peak 2061 # SUP 6.00
Upper QD1 ILE 38 - HA THR 39 4.01 10 0.31 0.79 + + + * +++ ++ + # peak 2069 # SUP 4.45
QD1 ILE 38 - HA PHE 62 # SUP 0.41
Upper QD1 ILE 38 - HN THR 39 3.93 8 0.19 0.63 + + * + + + ++ # peak 2080 # SUP 7.23
Upper HN ILE 38 - QD1 ILE 38 3.47 11 0.45 1.01 + +++ ++ ++ ++* # peak 2081 # SUP 6.27
Upper HN ILE 38 - HB ILE 38 3.14 17 0.51 0.85 ++++++ + *+++++ ++++ # peak 2086 # SUP 5.99
Upper QG2 ILE 38 - HN THR 39 3.45 8 0.35 1.00 + +++ + + + * # peak 2087 # SUP 6.74
Upper HN ILE 38 - HG12 ILE 38 3.38 10 0.27 0.70 ++* ++ + +++ + # peak 2091 # SUP 6.00
Upper HG13 ILE 38 - HN THR 39 4.11 8 0.23 0.65 ++ + +++ *+ # peak 2092 # SUP 6.73
Upper HN ILE 38 - HG13 ILE 38 3.43 12 0.54 1.61 ++ *+ + ++ ++ +++ # peak 2093 # SUP 6.00
Upper QG1 VAL 40 - HB2 ARG+ 90 3.15 6 0.22 0.46 + +* ++ + # peak 2104 # SUP 2.40
QG1 VAL 40 - HB3 ASP- 41 # SUP 4.32
Upper QG2 VAL 40 - HG LEU 42 3.17 16 0.79 1.68 + +++ +++*++++ ++++ # peak 2105 # SUP 1.03
QG2 VAL 40 - HB3 ARG+ 90 # SUP 0.71
HB3 PRO 33 - QG2 VAL 40 # SUP 0.52
QG2 VAL 40 - HG2 ARG+ 53 # SUP 0.86
Upper QG2 VAL 40 - HB VAL 52 3.06 8 0.28 0.98 + *++ ++ ++ # peak 2106 # SUP 2.54
HG2 PRO 33 - QG2 VAL 40 # SUP 0.65
Upper QG1 VAL 40 - HA ARG+ 90 2.94 6 0.22 0.70 + * + + ++ # peak 2114 # SUP 2.22
HA THR 39 - QG1 VAL 40 # SUP 4.18
Upper HB3 LEU 42 - QG2 VAL 94 3.87 11 0.30 1.01 +* ++++ ++ + ++ # peak 2157 # SUP 3.33
QD1 LEU 22 - HB3 LEU 42 # SUP 1.17
Upper QD1 LEU 42 - QD1 LEU 76 3.03 17 0.78 1.60 *+++++ +++++++ + +++ # peak 2163 # SUP 1.49
QD1 LEU 42 - QD2 LEU 76 # SUP 0.74
Upper QG2 VAL 40 - QD1 LEU 42 3.11 10 0.43 1.05 + ++++ + + * ++ # peak 2165 # SUP 1.03
QD1 LEU 42 - QD2 LEU 43 # SUP 5.48
QD1 LEU 42 - QD1 ILE 95 # SUP 1.00
Upper QD2 LEU 42 - QD1 LEU 76 3.22 14 0.51 1.47 + ++ +++++ + +*+++ # peak 2175 # SUP 1.39
QD2 LEU 42 - QD2 LEU 76 # SUP 0.74
Upper QD2 LEU 42 - QG2 VAL 52 2.94 19 0.76 1.22 +++++++++++++*++ +++ # peak 2176 # SUP 2.32
QG1 VAL 40 - QD2 LEU 42 # SUP 1.27
Upper HG LEU 42 - HN VAL 94 5.50 7 0.25 0.59 +* ++ + + + # peak 2189 # SUP 3.26
Upper HG2 ARG+ 53 - HN MET 54 3.79 7 0.19 0.47 +++ ++ * + # peak 2190 # SUP 5.42
HN LEU 22 - HG LEU 42 # SUP 1.39
Upper HN ARG+ 53 - HG2 ARG+ 53 3.58 9 0.24 0.79 ++ ++ +*+++ # peak 2191 # SUP 5.60
Upper HN LEU 42 - HG LEU 42 3.86 14 0.57 1.03 + +++ *+++ ++ ++++ # peak 2192 # SUP 6.81
HG LEU 42 - HN TYR 93 # SUP 3.38
Upper HN LEU 42 - QD2 LEU 42 3.34 20 0.57 0.73 +++++++++++++++++++* # peak 2206 # SUP 7.34
QD2 LEU 42 - HN TYR 93 # SUP 3.37
Upper HN LEU 42 - QD1 LEU 42 3.79 11 0.24 0.61 +++ ++ + +++ +* # peak 2208 # SUP 6.91
QD1 LEU 42 - HN TYR 93 # SUP 2.88
Upper HA LEU 43 - HN ARG+ 48 3.66 18 0.58 1.71 ++++++++++ ++ +++*++ # peak 2209 # SUP 3.75
Upper HG LEU 43 - QB SER 49 3.75 19 0.63 1.51 ++++++++++*++++++ ++ # peak 2232 # SUP 2.13
Upper HN LEU 42 - QD2 LEU 43 3.79 6 0.29 0.99 ++ + *++ # peak 2259 # SUP 6.52
QD2 LEU 43 - HN TYR 93 # SUP 1.18
Upper QD2 LEU 43 - HN TRP 50 3.58 11 0.39 0.78 ++ ++++ * + + ++ # peak 2260 # SUP 2.96
Upper HB3 LEU 43 - HN ARG+ 48 4.15 6 0.24 0.71 +++ + + * # peak 2265 # SUP 3.75
Upper HG2 ARG+ 48 - HN SER 49 4.18 8 0.24 0.62 + ++ + + + * + # peak 2283 # SUP 7.08
Upper HN ARG+ 48 - HG3 ARG+ 48 4.05 8 0.26 0.46 + +++ * + + + # peak 2288 # SUP 7.93
Upper HN ARG+ 48 - HD2 ARG+ 48 4.02 9 0.31 0.50 + +++++ * + + # peak 2298 # SUP 7.86
Upper HN ARG+ 48 - HA SER 49 3.86 20 1.18 1.29 +++++++++++++++*++++ # peak 2302 # SUP 3.53
Upper QD2 LEU 43 - QB SER 49 2.88 18 0.72 1.62 ++++++++++ ++++*+ ++ # peak 2326 # SUP 4.31
Upper QB SER 49 - HA TRP 50 3.66 20 0.48 0.84 +++++++++++++++++++* # peak 2329 # SUP 2.79
Upper HN VAL 40 - HA VAL 52 4.21 18 0.51 0.90 +*++ ++++++++++++ ++ # peak 2367 # SUP 2.33
Upper QG2 VAL 52 - HN ARG+ 53 3.44 9 0.30 0.67 + ++++ *+ ++ # peak 2374 # SUP 5.02
Upper QG1 VAL 52 - HA LEU 63 3.48 13 0.34 0.64 +++ ++ ++ + ++++* # peak 2380 # SUP 3.00
Upper HA THR 51 - QG2 VAL 52 3.46 10 0.39 0.93 +++ + ++ ++ +* # peak 2382 # SUP 4.66
QG2 VAL 52 - HA MET 54 # SUP 1.96
Upper QG2 VAL 52 - QD1 LEU 63 2.92 13 0.41 0.85 +++ +++ *+ +++++ # peak 2386 # SUP 4.60
QG2 VAL 52 - QG1 VAL 71 # SUP 0.02
Upper QD1 LEU 42 - QG2 VAL 52 2.45 8 0.22 0.62 ++*+ ++ + + # peak 2387 # SUP 4.40
QG2 VAL 52 - QD2 LEU 63 # SUP 4.48
Upper QG2 VAL 52 - HB3 LEU 63 3.00 20 1.00 1.55 ++++++++*+++++++++++ # peak 2389 # SUP 2.45
Upper QG2 VAL 52 - HA TRP 67 3.51 6 0.27 1.12 + +* ++ + # peak 2395 # SUP 2.49
Upper QG1 VAL 52 - HB3 TRP 67 3.47 6 0.18 0.84 + + *+++ # peak 2401 # SUP 2.96
Upper HG LEU 42 - QG1 VAL 52 3.43 18 0.51 0.88 + +++++++++++++++*+ # peak 2403 # SUP 2.26
QG1 VAL 52 - HG2 ARG+ 53 # SUP 3.65
Upper QD1 LEU 42 - QG1 VAL 52 2.72 7 0.16 0.55 *+++ + + + # peak 2405 # SUP 3.25
QG1 VAL 52 - QD2 LEU 63 # SUP 6.16
Upper QE MET 54 - QD1 LEU 63 2.98 19 0.86 1.05 ++++*++++++++ ++++++ # peak 2430 # SUP 4.34
Upper QE MET 54 - QD2 LEU 63 2.80 19 0.48 0.76 *++++++++++++ ++++++ # peak 2431 # SUP 6.98
Upper HA PRO 33 - QE MET 54 3.76 12 0.52 1.07 * ++ + ++++++ ++ # peak 2442 # SUP 4.55
HA ILE 38 - QE MET 54 # SUP 1.50
Upper QE MET 54 - HA LYS+ 55 3.45 12 0.43 1.08 +++ +++++ + + + * # peak 2443 # SUP 7.23
HA ALA 34 - QE MET 54 # SUP 1.55
HA ARG+ 53 - QE MET 54 # SUP 5.11
Upper HA PHE 32 - QE MET 54 3.76 8 0.25 0.87 ++ ++ + + +* # peak 2444 # SUP 1.55
Upper QB MET 54 - QG2 VAL 61 3.49 14 0.43 0.90 +*+ ++ + + ++++ + ++ # peak 2458 # SUP 0.02
HB3 LYS+ 11 - HG LEU 22 # SUP 0.02
HB3 LYS+ 11 - HB2 LEU 76 # SUP 0.02
HG LEU 22 - QB MET 54 # SUP 0.02
HB3 LYS+ 11 - QG2 ILE 96 # SUP 0.02
HG13 ILE 24 - QB MET 54 # SUP 0.02
Upper QE MET 54 - HN LEU 63 4.27 20 1.19 1.56 +++++++++++++++*++++ # peak 2481 # SUP 3.72
QE MET 54 - HN VAL 65 # SUP 0.81
Upper HB2 LYS+ 55 - QB PHE 62 4.13 10 0.31 0.56 * +++++ ++ ++ # peak 2490 # SUP 2.34
Upper HN LYS+ 56 - HB2 LYS+ 56 3.40 9 0.21 0.41 +*+ ++ + + + + # peak 2521 # SUP 5.99
Upper HN LYS+ 55 - HG2 LYS+ 56 4.03 13 0.48 0.96 ++ +++ *++++ ++ + # peak 2528 # SUP 5.32
HG2 LYS+ 56 - HN GLY 58 # SUP 0.67
Upper HD3 LYS+ 56 - QG2 VAL 61 3.40 7 0.17 0.55 ++ + ++ + * # peak 2537 # SUP 4.86
Upper HE2 LYS+ 56 - QG2 VAL 61 3.29 10 0.29 0.66 + + + * + ++ +++ # peak 2550 # SUP 3.31
Upper HB2 LYS+ 56 - HE2 LYS+ 56 3.66 11 0.34 0.89 +++ + + ++ + * + + # peak 2553 # SUP 6.59
Upper HG3 LYS+ 56 - HE3 LYS+ 56 3.02 9 0.24 0.64 ++ + ++ *+ ++ # peak 2557 # SUP 6.69
QD1 ILE 38 - HE3 LYS+ 56 # SUP 0.76
Upper QD1 LEU 26 - HB3 GLU- 59 3.31 10 0.30 0.64 +++ ++ ++ *++ # peak 2587 # SUP 3.49
QD2 LEU 26 - HB3 GLU- 59 # SUP 1.77
Upper QD1 ILE 24 - QG2 VAL 61 3.33 19 0.61 0.94 ++++++++ ++++++++*++ # peak 2606 # SUP 2.04
QG2 VAL 61 - QD1 LEU 63 # SUP 0.98
Upper HD22 ASN 29 - QG2 VAL 61 3.84 6 0.23 0.92 + + * +++ # peak 2627 # SUP 1.50
Upper QG2 VAL 61 - HN PHE 62 3.39 14 0.43 0.77 ++* + + +++++++ ++ # peak 2632 # SUP 4.13
QG2 VAL 61 - HN LEU 63 # SUP 2.33
Upper HN ASN 29 - QG1 VAL 61 4.32 18 0.54 0.90 ++ +++*++++++++++++ # peak 2638 # SUP 0.02
Upper QG1 VAL 61 - HN PHE 62 3.04 6 0.13 0.49 + + ++ * + # peak 2639 # SUP 3.97
QG1 VAL 61 - HN LEU 63 # SUP 1.85
Upper HN ILE 24 - HB VAL 61 4.23 11 0.41 0.82 + ++ +++* ++ + + # peak 2642 # SUP 1.15
Upper HB3 LEU 22 - QD1 LEU 63 3.88 8 0.37 1.34 ++*+++ + + # peak 2656 # SUP 3.61
Upper HG3 ARG+ 53 - QD1 LEU 63 4.02 19 0.55 0.77 ++++ ++++++*++++++++ # peak 2659 # SUP 1.90
HD2 LYS+ 55 - QD1 LEU 63 # SUP 3.01
HB2 LYS+ 55 - QD1 LEU 63 # SUP 3.06
HB VAL 61 - QD1 LEU 63 # SUP 0.77
Upper QG1 VAL 52 - HG LEU 63 2.79 7 0.24 0.51 + ++ ++ + * # peak 2669 # SUP 3.00
Upper QD2 LEU 63 - HN THR 64 3.17 20 0.74 0.88 ++++++++++++++*+++++ # peak 2689 # SUP 5.59
HN ARG+ 53 - QD2 LEU 63 # SUP 2.97
Upper HD3 LYS+ 55 - QG2 THR 64 3.05 7 0.25 0.64 ++ + + + +* # peak 2691 # SUP 3.24
Upper HB3 SER 21 - QG2 THR 64 3.56 6 0.16 0.77 + +++ * + # peak 2693 # SUP 3.73
Upper HN LEU 22 - QG2 THR 64 4.47 16 0.58 1.04 +++ +++++++++ *++ + # peak 2699 # SUP 4.16
HN MET 54 - QG2 THR 64 # SUP 2.88
Upper HA THR 64 - HA VAL 65 3.82 20 0.76 0.92 ++++++++++++++++*+++ # peak 2703 # SUP 3.61
Upper HA THR 64 - QG2 VAL 65 3.69 11 0.53 1.45 + + +*+++++++ # peak 2711 # SUP 3.49
HA LYS+ 55 - QG2 VAL 65 # SUP 0.09
Upper QG2 VAL 65 - HA1 GLY 66 4.08 14 0.41 1.01 + + + +++*+++++ + + # peak 2712 # SUP 2.76
Upper HA VAL 65 - HN GLU- 68 3.32 19 0.56 0.83 +++++++++++++++++* + # peak 2716 # SUP 1.22
Upper HN VAL 65 - QG1 VAL 65 2.98 13 0.37 0.71 +++ + *+++ + + ++ + # peak 2718 # SUP 3.70
Upper HA1 GLY 66 - HN GLU- 68 3.64 6 0.18 0.52 + + ++ * + # peak 2724 # SUP 3.19
Upper HA TRP 67 - HN ASN 69 3.62 11 0.38 1.19 +++++ + + + + *+ # peak 2728 # SUP 3.92
Upper QB GLU- 68 - QG2 VAL 71 4.35 8 0.30 0.94 ++ ++ + + *+ # peak 2733 # SUP 3.86
Upper QB GLU- 68 - HG3 LYS+ 72 3.68 9 0.27 0.63 + + + + *+++ + # peak 2745 # SUP 4.76
Upper QB GLU- 68 - HN LYS+ 72 4.41 9 0.30 0.60 ++ *+ + ++ ++ # peak 2747 # SUP 6.60
Upper QB GLU- 68 - QG1 VAL 71 4.40 12 0.36 1.06 + + +++ + * ++ +++ # peak 2784 # SUP 5.04
QG1 VAL 71 - HB2 LEU 82 # SUP 1.50
Upper QG2 VAL 71 - HN LEU 76 2.99 17 0.65 1.13 +++ *++++ +++++++++ # peak 2799 # SUP 5.37
Upper QG1 VAL 71 - HN LYS+ 72 3.58 13 0.28 0.52 ++ + +++ +++ ++ * + # peak 2801 # SUP 5.70
Upper HB VAL 71 - HN LYS+ 72 3.49 7 0.21 0.63 ++ + + + * + # peak 2809 # SUP 5.70
Upper QB LYS+ 72 - HA ASP- 73 3.65 18 0.35 0.39 +++++ +++++++ *+++++ # peak 2817 # SUP 4.34
Upper HG3 LYS+ 72 - HN ASP- 73 4.25 19 0.50 0.75 +++++++++++ +*++++++ # peak 2825 # SUP 4.68
Upper HN ASN 75 - HB3 ASN 75 3.56 15 0.39 0.54 + +++++++++ ++ *+ + # peak 2839 # SUP 5.48
Upper HA ASN 75 - HN LEU 76 3.20 20 0.43 0.46 +++++++++++++++++*++ # peak 2843 # SUP 6.58
Upper QE LYS+ 11 - QD2 LEU 76 3.90 19 0.81 1.29 +++++*+++++++++++++ # peak 2871 # SUP 0.32
QD2 LEU 76 - HB2 TYR 97 # SUP 1.52
Upper QD1 LEU 76 - HB ILE 96 3.93 13 0.43 0.95 + *++ + + ++++++ + # peak 2878 # SUP 2.97
QD1 LEU 76 - QG LYS+ 80 # SUP 1.19
Upper HG LEU 42 - QD1 LEU 76 3.83 7 0.37 1.07 * ++ + ++ + # peak 2879 # SUP 1.49
HB3 LYS+ 11 - QD1 LEU 76 # SUP 0.74
QE MET 10 - QD1 LEU 76 # SUP 0.75
Upper HN LEU 76 - QD1 LEU 76 3.23 18 0.88 1.08 *++++++++ +++++++++ # peak 2899 # SUP 7.63
Upper HN ASN 74 - QD2 LEU 76 4.04 10 0.28 0.66 *+ + +++ ++ + + # peak 2902 # SUP 4.29
Upper QD1 LEU 22 - QD1 LEU 82 2.87 8 0.24 0.72 ++ + + +*++ # peak 2947 # SUP 1.46
QD1 LEU 82 - QG2 VAL 94 # SUP 2.67
Upper QG1 VAL 71 - QD1 LEU 82 2.84 20 1.21 2.14 ++++++++++++++++*+++ # peak 2948 # SUP 1.00
Upper HB3 PHE 13 - QD1 LEU 82 3.47 7 0.20 0.75 ++ +* + + + # peak 2953 # SUP 3.87
HB3 TYR 81 - QD1 LEU 82 # SUP 3.02
Upper HB2 PHE 13 - QD1 LEU 82 4.28 6 0.21 0.69 + *++ + + # peak 2954 # SUP 2.25
Upper HA TYR 81 - QD1 LEU 82 4.02 15 0.46 0.94 +++++ + + +++++* ++ # peak 2956 # SUP 2.83
Upper QD1 LEU 82 - HA GLN 83 3.92 8 0.24 0.73 +++ * + + ++ # peak 2957 # SUP 3.14
HA LYS+ 11 - QD1 LEU 82 # SUP 0.75
Upper HN PHE 13 - HB2 LEU 82 3.89 12 0.40 0.92 +*+++ + + ++ +++ # peak 2970 # SUP 2.11
Upper HB ILE 85 - QD1 ILE 85 2.67 14 0.34 0.47 + *++++ ++++++ ++ # peak 3023 # SUP 5.20
QG GLN 8 - QD1 ILE 85 # SUP 3.21
Upper HG LEU 43 - QG2 THR 91 3.17 18 0.60 0.97 ++++++++ + ++++++++* # peak 3090 # SUP 1.76
Upper HN LEU 42 - QG2 THR 91 3.00 18 0.52 0.78 + *+++++ +++++++++++ # peak 3103 # SUP 4.21
QG2 THR 91 - HN TYR 93 # SUP 1.23
Upper QD1 ILE 85 - HB3 TYR 93 3.75 8 0.26 1.13 ++ * ++ ++ + # peak 3115 # SUP 4.27
HB3 TYR 93 - QD1 ILE 95 # SUP 1.47
Upper QD1 ILE 85 - HB2 TYR 93 4.16 10 0.29 0.72 ++++++ + * ++ # peak 3118 # SUP 3.91
Upper HA TYR 93 - HB VAL 94 3.98 16 0.45 1.17 +++++ +++ ++++*++ + # peak 3120 # SUP 3.64
HG LEU 43 - HA TYR 93 # SUP 0.75
Upper HB3 TYR 93 - HN VAL 94 4.25 7 0.18 0.46 +*+ + ++ + # peak 3123 # SUP 4.45
Upper HB2 LEU 42 - QG2 VAL 94 3.43 16 0.48 0.87 ++++ +++++ ++++* ++ # peak 3142 # SUP 3.73
HB2 LEU 82 - QG2 VAL 94 # SUP 2.52
Upper HB2 PHE 92 - QG2 VAL 94 4.33 9 0.27 0.62 + +* +++ +++ # peak 3144 # SUP 1.43
Upper HN LEU 43 - QG2 VAL 94 3.55 9 0.36 0.95 + +++ + *++ + # peak 3152 # SUP 4.12
Upper QG2 VAL 94 - HB ILE 95 4.43 20 0.94 1.33 +*++++++++++++++++++ # peak 3164 # SUP 6.65
Upper QG2 VAL 94 - HG12 ILE 95 4.19 11 0.37 0.76 ++++ * + +++ ++ # peak 3180 # SUP 6.65
Upper QG1 VAL 7 - HG3 ARG+ 88 4.03 12 0.43 0.98 + + + *+++++ +++ # peak 3183 # SUP 2.00
Upper QG2 ILE 95 - QD1 ILE 95 2.57 13 0.42 0.65 ++++++ + ++++* + # peak 3184 # SUP 6.35
Upper QG2 VAL 94 - QD1 ILE 95 3.45 20 0.52 0.89 ++++++++++++++*+++++ # peak 3185 # SUP 7.77
QD1 ILE 85 - QG2 VAL 94 # SUP 3.60
Upper HN ILE 95 - HG13 ILE 95 4.16 11 0.27 0.48 + ++ + ++ ++*+ + # peak 3213 # SUP 5.93
Upper QG2 ILE 96 - QD1 ILE 96 2.44 14 0.34 0.68 ++++*++ ++ ++++ + # peak 3228 # SUP 3.95
Upper HA LYS+ 80 - QG2 ILE 96 3.72 15 0.44 1.12 +++ +*+++ + +++ +++ # peak 3248 # SUP 1.29
Upper QD2 LEU 76 - HN TYR 81 4.11 7 0.19 0.66 * + + + + + + # peak 3269 # SUP 1.99
Angle PHI GLN 8 224.00 260.00 13 7.74 22.63 + ++++ +*++++++
Angle PSI PHE 9 150.00 170.00 20 15.42 21.87 ++++++++++++++*+++++
Angle PHI LYS+ 11 206.00 236.00 16 9.06 17.98 +*+++ ++ ++++++ +++
Angle PSI LYS+ 11 131.00 159.00 20 18.65 31.36 ++++++++++++*+++++++
Angle PSI PRO 12 134.00 146.00 20 18.94 29.06 +++++++++++*++++++++
Angle PHI PHE 13 227.00 293.00 7 3.93 16.18 ++ * + + + +
Angle PSI PHE 13 119.00 139.00 17 11.04 21.55 + +++++ ++++++++*++
Angle PHI ILE 14 232.00 270.00 6 3.49 14.54 ++ + * + +
Angle PHI SER 15 286.00 306.00 8 4.17 12.26 ++* + ++ + +
Angle PHI GLU- 16 277.00 299.00 10 7.00 17.46 *+ ++ + ++ + ++
Angle PHI LYS+ 17 250.00 290.00 17 10.49 31.12 +++++++*+++++ +++ +
Angle PSI SER 19 315.00 343.00 6 2.58 6.33 + ++ * + +
Angle PHI SER 21 200.00 268.00 6 2.75 14.48 *+ + + + +
Angle PSI SER 21 142.00 168.00 16 20.68 34.35 ++++ ++++++* + +++ +
Angle PHI LEU 22 221.00 273.00 20 20.17 29.69 ++++*+++++++++++++++
Angle PSI LEU 22 114.00 144.00 17 17.22 35.89 ++++++ +++++*+++++
Angle PSI ILE 24 110.00 132.00 18 12.09 27.53 ++++++++*++++ +++++
Angle PSI PRO 25 134.00 158.00 13 6.92 18.99 ++ ++ + ++++ ++ *+
Angle PHI LEU 26 286.00 310.00 12 6.04 9.55 + +++++++++ + *
Angle PHI PHE 28 272.00 306.00 10 4.29 11.45 + + + ++ ++* ++
Angle PHI ASN 29 284.00 304.00 14 7.29 12.61 ++ +++++ + + ++++*
Angle PSI ASN 29 314.00 336.00 6 3.63 9.75 + +++*+
Angle PSI PRO 33 137.00 161.00 19 22.18 34.22 + +++++++++++++++++*
Angle PHI ALA 34 211.00 263.00 9 11.26 32.92 ++ ++* + + + +
Angle PSI ALA 34 132.00 160.00 20 30.19 120.49 +++*++++++++++++++++
Angle PSI PRO 35 131.00 155.00 17 66.72 113.34 ++ ++++ ++ *++++++++
Angle PHI PHE 36 224.00 290.00 17 38.44 88.66 +++ +++*+++ + ++++++
Angle PSI PHE 36 109.00 147.00 20 90.71 150.77 +*++++++++++++++++++
Angle PSI PRO 37 137.00 159.00 19 22.20 46.02 ++++++++++++*++++++
Angle PHI THR 39 206.00 248.00 19 14.96 24.36 ++++++++*++ ++++++++
Angle PSI THR 39 152.00 178.00 6 7.91 32.34 ++ + +* +
Angle PSI VAL 40 140.00 162.00 20 13.56 22.42 ++++++*+++++++++++++
Angle PHI LEU 42 218.00 250.00 7 3.46 10.07 + + + + * + +
Angle PHI ARG+ 48 271.00 299.00 20 11.70 39.36 +++++++++++++++++*++
Angle PSI ARG+ 48 137.00 157.00 18 19.68 26.23 ++++++++++ +++++* ++
Angle PSI SER 49 137.00 161.00 18 17.33 31.00 +++++++++++++++ +*+
Angle PHI TRP 50 209.00 259.00 20 12.89 28.42 +++++++++++++++++++*
Angle PHI THR 51 246.00 274.00 16 11.20 41.54 ++++ ++++++ ++*++ +
Angle PHI VAL 52 235.00 257.00 6 3.86 15.17 + + +* + +
Angle PSI VAL 52 119.00 155.00 6 3.11 16.88 ++++ * +
Angle PHI MET 54 223.00 249.00 17 11.29 21.29 ++++*+ ++++++++ +++
Angle PHI LYS+ 55 208.00 238.00 17 9.36 18.46 +++++++++*+++ + ++ +
Angle PSI LYS+ 55 126.00 160.00 8 4.90 18.61 ++ +++ ++ *
Angle PSI ARG+ 57 99.00 131.00 12 5.62 11.70 ++++ +*+ ++ ++ +
Angle PHI GLU- 59 249.00 269.00 10 4.59 9.10 ++ + + ++ * + + +
Angle PSI GLU- 59 320.00 2.00 7 3.86 8.04 * + +++ + +
Angle PHI PHE 62 219.00 251.00 18 11.26 17.14 ++++++ + +++++++*+++
Angle PHI LEU 63 258.00 278.00 9 4.55 11.51 * + + + + ++ ++
Angle PSI LEU 63 104.00 142.00 13 8.87 24.26 * ++ ++++ +++ + ++
Angle PHI VAL 65 277.00 303.00 18 15.89 30.44 +++++*++++ ++++++++
Angle PSI TRP 67 312.00 342.00 6 3.76 13.47 *++ ++ +
Angle PHI GLU- 68 287.00 307.00 9 6.14 29.44 + ++ + ++*++
Angle PSI ASN 69 310.00 330.00 6 2.52 12.41 ++ + + + *
Angle PHI VAL 71 289.00 309.00 13 5.91 16.40 ++++++ ++ +++*+
Angle PHI LYS+ 72 290.00 310.00 16 8.15 15.77 + ++++++++ ++ +++*+
Angle PHI LEU 76 50.00 70.00 19 10.47 18.16 +++++++ ++++++++*+++
Angle PSI LEU 76 7.00 49.00 6 3.92 9.10 + + + +* +
Angle PSI GLU- 77 150.00 170.00 11 5.14 11.75 ++ ++++ + +* + +
Angle PHI ASP- 78 273.00 307.00 20 11.20 16.95 ++++++++++++++++++*+
Angle PSI LYS+ 80 135.00 163.00 20 12.44 18.77 ++++++++++*+++++++++
Angle PHI TYR 81 221.00 267.00 8 3.45 9.69 + ++ + ++ * +
Angle PSI LEU 82 123.00 155.00 11 5.17 16.91 + ++ +++ *++ ++
Angle PHI GLN 83 212.00 248.00 13 6.39 18.81 + ++*+ + ++ + ++++
Angle PSI GLN 83 125.00 145.00 20 12.68 22.07 ++*+++++++++++++++++
Angle PSI PHE 84 118.00 138.00 19 15.00 23.97 *+ +++++++++++++++++
Angle PHI ILE 85 234.00 262.00 19 17.87 34.06 + +++++++++++++++++*
Angle PSI ILE 85 116.00 136.00 9 5.62 22.31 ++ * + ++ +++
Angle PHI TYR 86 233.00 253.00 14 7.48 18.35 +++++ + ++*++ +++
Angle PSI TYR 86 125.00 157.00 12 7.94 18.49 +++ +++++*+++
Angle PSI ARG+ 90 109.00 147.00 20 37.04 44.47 +++++++++++++++*++++
Angle PHI THR 91 224.00 256.00 20 17.05 26.21 +++*++++++++++++++++
Angle PSI THR 91 118.00 140.00 6 3.99 18.03 + + +* + +
Angle PSI PHE 92 123.00 155.00 20 12.56 19.15 +++++++++++++*++++++
Angle PSI TYR 93 114.00 136.00 20 14.94 25.74 ++*+++++++++++++++++
Angle PSI VAL 94 118.00 156.00 9 3.78 9.35 + ++++ + *+ +
263 violated distance constraints.
75 violated angle constraints.
RMSDs for residues 1..102:
Average backbone RMSD to mean : 2.00 +/- 0.39 A (1.16..2.90 A)
Average heavy atom RMSD to mean : 2.51 +/- 0.36 A (1.73..3.24 A)