| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.576 |
0.000 |
0.000 |
-0.033 |
0.000 |
0.000 |
Slide |
0.000 |
1.234 |
0.681 |
0.000 |
-0.051 |
0.013 |
Rise |
0.000 |
0.681 |
1.363 |
0.000 |
-0.076 |
0.066 |
Tilt |
-0.033 |
0.000 |
0.000 |
0.003 |
0.000 |
0.000 |
Roll |
0.000 |
-0.051 |
-0.076 |
0.000 |
0.007 |
-0.001 |
Twist |
0.000 |
0.013 |
0.066 |
0.000 |
-0.001 |
0.014 |
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 |
0.034 |
0.000 |
0.000 |
Slide |
0.000 |
3.043 |
1.125 |
0.000 |
-0.075 |
-0.003 |
Rise |
0.000 |
1.125 |
4.224 |
0.000 |
-0.054 |
0.077 |
Tilt |
0.034 |
0.000 |
0.000 |
0.021 |
0.000 |
0.000 |
Roll |
0.000 |
-0.075 |
-0.054 |
0.000 |
0.012 |
0.003 |
Twist |
0.000 |
-0.003 |
0.077 |
0.000 |
0.003 |
0.013 |
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 |
1.376 |
0.000 |
0.000 |
-0.145 |
0.000 |
0.000 |
Slide |
0.000 |
0.848 |
0.389 |
0.000 |
-0.005 |
0.007 |
Rise |
0.000 |
0.389 |
5.154 |
0.000 |
-0.195 |
-0.162 |
Tilt |
-0.145 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
-0.005 |
-0.195 |
0.000 |
0.012 |
0.010 |
Twist |
0.000 |
0.007 |
-0.162 |
0.000 |
0.010 |
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 |
1.092 |
0.000 |
0.000 |
-0.046 |
0.000 |
0.000 |
Slide |
0.000 |
1.607 |
0.298 |
0.000 |
-0.016 |
-0.041 |
Rise |
0.000 |
0.298 |
6.103 |
0.000 |
-0.107 |
-0.204 |
Tilt |
-0.046 |
0.000 |
0.000 |
0.018 |
0.000 |
0.000 |
Roll |
0.000 |
-0.016 |
-0.107 |
0.000 |
0.014 |
0.005 |
Twist |
0.000 |
-0.041 |
-0.204 |
0.000 |
0.005 |
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 |
1.272 |
0.000 |
0.000 |
-0.044 |
0.000 |
0.000 |
Slide |
0.000 |
1.118 |
0.597 |
0.000 |
-0.037 |
-0.002 |
Rise |
0.000 |
0.597 |
2.000 |
0.000 |
-0.051 |
0.041 |
Tilt |
-0.044 |
0.000 |
0.000 |
0.003 |
0.000 |
0.000 |
Roll |
0.000 |
-0.037 |
-0.051 |
0.000 |
0.004 |
-0.001 |
Twist |
0.000 |
-0.002 |
0.041 |
0.000 |
-0.001 |
0.010 |
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 |
0.843 |
0.000 |
0.000 |
-0.081 |
0.000 |
0.000 |
Slide |
0.000 |
2.857 |
1.962 |
0.000 |
0.066 |
-0.062 |
Rise |
0.000 |
1.962 |
9.715 |
0.000 |
0.137 |
-0.192 |
Tilt |
-0.081 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.066 |
0.137 |
0.000 |
0.016 |
0.001 |
Twist |
0.000 |
-0.062 |
-0.192 |
0.000 |
0.001 |
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 |
1.045 |
0.000 |
0.000 |
-0.026 |
0.000 |
0.000 |
Slide |
0.000 |
2.362 |
1.392 |
0.000 |
-0.016 |
-0.038 |
Rise |
0.000 |
1.392 |
6.629 |
0.000 |
-0.069 |
-0.144 |
Tilt |
-0.026 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
-0.016 |
-0.069 |
0.000 |
0.014 |
0.009 |
Twist |
0.000 |
-0.038 |
-0.144 |
0.000 |
0.009 |
0.026 |
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 |
0.171 |
0.000 |
0.000 |
0.008 |
0.000 |
0.000 |
Slide |
0.000 |
0.469 |
0.163 |
0.000 |
-0.012 |
0.005 |
Rise |
0.000 |
0.163 |
0.375 |
0.000 |
-0.006 |
-0.007 |
Tilt |
0.008 |
0.000 |
0.000 |
0.001 |
0.000 |
0.000 |
Roll |
0.000 |
-0.012 |
-0.006 |
0.000 |
0.001 |
-0.001 |
Twist |
0.000 |
0.005 |
-0.007 |
0.000 |
-0.001 |
0.004 |
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 |
0.016 |
0.000 |
0.000 |
-0.001 |
0.000 |
0.000 |
Slide |
0.000 |
0.260 |
0.031 |
0.000 |
0.002 |
0.000 |
Rise |
0.000 |
0.031 |
0.088 |
0.000 |
0.007 |
0.002 |
Tilt |
-0.001 |
0.000 |
0.000 |
0.003 |
0.000 |
0.000 |
Roll |
0.000 |
0.002 |
0.007 |
0.000 |
0.001 |
-0.000 |
Twist |
0.000 |
0.000 |
0.002 |
0.000 |
-0.000 |
0.001 |
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)