| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.107 |
0.000 |
0.000 |
-0.027 |
0.000 |
0.000 |
Slide |
0.000 |
2.166 |
1.737 |
0.000 |
-0.069 |
-0.095 |
Rise |
0.000 |
1.737 |
6.806 |
0.000 |
-0.036 |
-0.191 |
Tilt |
-0.027 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.069 |
-0.036 |
0.000 |
0.020 |
0.004 |
Twist |
0.000 |
-0.095 |
-0.191 |
0.000 |
0.004 |
0.024 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.328 |
0.000 |
0.000 |
-0.082 |
0.000 |
0.000 |
Slide |
0.000 |
2.469 |
1.577 |
0.000 |
-0.071 |
-0.135 |
Rise |
0.000 |
1.577 |
6.495 |
0.000 |
-0.024 |
-0.162 |
Tilt |
-0.082 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.071 |
-0.024 |
0.000 |
0.021 |
0.005 |
Twist |
0.000 |
-0.135 |
-0.162 |
0.000 |
0.005 |
0.028 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.107 |
0.000 |
0.000 |
-0.006 |
0.000 |
0.000 |
Slide |
0.000 |
2.221 |
1.645 |
0.000 |
-0.076 |
-0.102 |
Rise |
0.000 |
1.645 |
7.116 |
0.000 |
-0.042 |
-0.169 |
Tilt |
-0.006 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.076 |
-0.042 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.102 |
-0.169 |
0.000 |
0.008 |
0.035 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.018 |
0.000 |
0.000 |
-0.036 |
0.000 |
0.000 |
Slide |
0.000 |
2.061 |
1.645 |
0.000 |
-0.072 |
-0.108 |
Rise |
0.000 |
1.646 |
7.152 |
0.000 |
-0.038 |
-0.203 |
Tilt |
-0.036 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.072 |
-0.038 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.108 |
-0.203 |
0.000 |
0.007 |
0.025 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.778 |
0.000 |
0.000 |
-0.088 |
0.000 |
0.000 |
Slide |
0.000 |
2.376 |
0.191 |
0.000 |
0.001 |
-0.085 |
Rise |
0.000 |
0.191 |
3.109 |
0.000 |
0.022 |
-0.004 |
Tilt |
-0.088 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
0.022 |
0.000 |
0.011 |
-0.002 |
Twist |
0.000 |
-0.085 |
-0.004 |
0.000 |
-0.002 |
0.007 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.926 |
0.000 |
0.000 |
-0.084 |
0.000 |
0.000 |
Slide |
0.000 |
1.994 |
1.011 |
0.000 |
-0.047 |
-0.123 |
Rise |
0.000 |
1.011 |
7.858 |
0.000 |
-0.028 |
-0.143 |
Tilt |
-0.084 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.047 |
-0.028 |
0.000 |
0.020 |
0.011 |
Twist |
0.000 |
-0.123 |
-0.143 |
0.000 |
0.011 |
0.030 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.018 |
0.000 |
0.000 |
-0.091 |
0.000 |
0.000 |
Slide |
0.000 |
1.947 |
1.319 |
0.000 |
-0.030 |
-0.114 |
Rise |
0.000 |
1.319 |
7.749 |
0.000 |
-0.053 |
-0.181 |
Tilt |
-0.091 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.030 |
-0.053 |
0.000 |
0.020 |
0.011 |
Twist |
0.000 |
-0.114 |
-0.181 |
0.000 |
0.011 |
0.028 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.785 |
0.000 |
0.000 |
-0.104 |
0.000 |
0.000 |
Slide |
0.000 |
2.367 |
1.021 |
0.000 |
-0.044 |
-0.121 |
Rise |
0.000 |
1.021 |
7.397 |
0.000 |
-0.040 |
-0.133 |
Tilt |
-0.104 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.044 |
-0.040 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.121 |
-0.133 |
0.000 |
0.011 |
0.036 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.834 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
1.824 |
0.987 |
0.000 |
-0.052 |
-0.126 |
Rise |
0.000 |
0.987 |
7.832 |
0.000 |
-0.037 |
-0.164 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.052 |
-0.037 |
0.000 |
0.020 |
0.011 |
Twist |
0.000 |
-0.126 |
-0.164 |
0.000 |
0.011 |
0.031 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.062 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
1.555 |
1.815 |
0.000 |
-0.004 |
-0.082 |
Rise |
0.000 |
1.815 |
6.978 |
0.000 |
-0.028 |
-0.198 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
-0.028 |
0.000 |
0.019 |
0.007 |
Twist |
0.000 |
-0.082 |
-0.198 |
0.000 |
0.007 |
0.025 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.971 |
0.000 |
0.000 |
-0.089 |
0.000 |
0.000 |
Slide |
0.000 |
1.539 |
1.653 |
0.000 |
-0.003 |
-0.101 |
Rise |
0.000 |
1.653 |
7.571 |
0.000 |
-0.007 |
-0.203 |
Tilt |
-0.089 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.003 |
-0.007 |
0.000 |
0.016 |
0.002 |
Twist |
0.000 |
-0.101 |
-0.203 |
0.000 |
0.002 |
0.023 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.986 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
1.514 |
1.650 |
0.000 |
-0.010 |
-0.084 |
Rise |
0.000 |
1.650 |
7.020 |
0.000 |
-0.029 |
-0.188 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.010 |
-0.029 |
0.000 |
0.017 |
0.006 |
Twist |
0.000 |
-0.084 |
-0.188 |
0.000 |
0.006 |
0.025 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.572 |
0.000 |
0.000 |
-0.057 |
0.000 |
0.000 |
Slide |
0.000 |
1.689 |
1.094 |
0.000 |
-0.003 |
-0.113 |
Rise |
0.000 |
1.094 |
6.093 |
0.000 |
0.029 |
-0.118 |
Tilt |
-0.057 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.003 |
0.029 |
0.000 |
0.013 |
-0.001 |
Twist |
0.000 |
-0.113 |
-0.118 |
0.000 |
-0.001 |
0.022 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.900 |
0.000 |
0.000 |
-0.035 |
0.000 |
0.000 |
Slide |
0.000 |
1.439 |
1.652 |
0.000 |
-0.005 |
-0.060 |
Rise |
0.000 |
1.652 |
6.593 |
0.000 |
0.004 |
-0.170 |
Tilt |
-0.035 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.005 |
0.004 |
0.000 |
0.016 |
0.004 |
Twist |
0.000 |
-0.060 |
-0.170 |
0.000 |
0.004 |
0.022 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.108 |
0.000 |
0.000 |
-0.099 |
0.000 |
0.000 |
Slide |
0.000 |
1.653 |
1.690 |
0.000 |
-0.014 |
-0.124 |
Rise |
0.000 |
1.690 |
7.584 |
0.000 |
-0.000 |
-0.180 |
Tilt |
-0.099 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.014 |
-0.000 |
0.000 |
0.019 |
0.005 |
Twist |
0.000 |
-0.124 |
-0.180 |
0.000 |
0.005 |
0.030 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)