| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.067 |
0.000 |
0.000 |
-0.001 |
0.000 |
0.000 |
Slide |
0.000 |
4.229 |
0.690 |
0.000 |
-0.001 |
0.017 |
Rise |
0.000 |
0.690 |
6.819 |
0.000 |
-0.010 |
-0.012 |
Tilt |
-0.001 |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
-0.010 |
0.000 |
0.000 |
0.000 |
Twist |
0.000 |
0.017 |
-0.012 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.335 |
0.000 |
0.000 |
-0.027 |
0.000 |
0.000 |
Slide |
0.000 |
3.278 |
-0.430 |
0.000 |
0.036 |
-0.036 |
Rise |
0.000 |
-0.437 |
1.045 |
0.000 |
0.005 |
0.053 |
Tilt |
-0.027 |
0.000 |
0.000 |
0.003 |
0.000 |
0.000 |
Roll |
0.000 |
0.036 |
0.005 |
0.000 |
0.001 |
-0.001 |
Twist |
0.000 |
-0.037 |
0.053 |
0.000 |
-0.001 |
0.005 |
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 |
0.504 |
0.000 |
0.000 |
0.004 |
0.000 |
0.000 |
Slide |
0.000 |
3.458 |
-0.483 |
0.000 |
-0.041 |
-0.016 |
Rise |
0.000 |
-0.482 |
3.092 |
0.000 |
0.005 |
0.012 |
Tilt |
0.004 |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
Roll |
0.000 |
-0.042 |
0.005 |
0.000 |
0.004 |
0.002 |
Twist |
0.000 |
-0.016 |
0.012 |
0.000 |
0.002 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.476 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
Slide |
0.000 |
3.189 |
-0.710 |
0.000 |
0.028 |
-0.009 |
Rise |
0.000 |
-0.704 |
1.917 |
0.000 |
0.017 |
0.043 |
Tilt |
-0.063 |
0.000 |
0.000 |
0.009 |
0.000 |
0.000 |
Roll |
0.000 |
0.029 |
0.018 |
0.000 |
0.006 |
-0.007 |
Twist |
0.000 |
-0.009 |
0.042 |
0.000 |
-0.007 |
0.011 |
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 |
0.413 |
0.000 |
0.000 |
-0.066 |
0.000 |
0.000 |
Slide |
0.000 |
5.807 |
0.519 |
0.000 |
-0.006 |
-0.104 |
Rise |
0.000 |
0.519 |
8.362 |
0.000 |
-0.215 |
-0.197 |
Tilt |
-0.066 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.006 |
-0.215 |
0.000 |
0.024 |
0.000 |
Twist |
0.000 |
-0.104 |
-0.197 |
0.000 |
0.000 |
0.075 |
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 |
1.641 |
0.000 |
0.000 |
0.001 |
0.000 |
0.000 |
Slide |
0.000 |
2.791 |
-0.338 |
0.000 |
0.007 |
-0.000 |
Rise |
0.000 |
-0.338 |
6.158 |
0.000 |
-0.015 |
-0.008 |
Tilt |
0.001 |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
Roll |
0.000 |
0.007 |
-0.015 |
0.000 |
0.001 |
-0.000 |
Twist |
0.000 |
-0.000 |
-0.008 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.700 |
0.000 |
0.000 |
-0.008 |
0.000 |
0.000 |
Slide |
0.000 |
5.239 |
1.162 |
0.000 |
0.005 |
-0.036 |
Rise |
0.000 |
1.162 |
10.163 |
0.000 |
-0.309 |
-0.231 |
Tilt |
-0.008 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.005 |
-0.309 |
0.000 |
0.029 |
0.003 |
Twist |
0.000 |
-0.036 |
-0.231 |
0.000 |
0.003 |
0.076 |
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 |
0.567 |
0.000 |
0.000 |
0.003 |
0.000 |
0.000 |
Slide |
0.000 |
3.987 |
0.760 |
0.000 |
-0.024 |
0.022 |
Rise |
0.000 |
0.760 |
2.858 |
0.000 |
0.007 |
0.008 |
Tilt |
0.003 |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
Roll |
0.000 |
-0.024 |
0.007 |
0.000 |
0.006 |
-0.000 |
Twist |
0.000 |
0.022 |
0.008 |
0.000 |
-0.000 |
0.000 |
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 |
0.622 |
0.000 |
0.000 |
0.003 |
0.000 |
0.000 |
Slide |
0.000 |
5.578 |
0.409 |
0.000 |
0.014 |
-0.015 |
Rise |
0.000 |
0.409 |
2.953 |
0.000 |
0.023 |
-0.005 |
Tilt |
0.003 |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
0.023 |
0.000 |
0.007 |
-0.001 |
Twist |
0.000 |
-0.015 |
-0.005 |
0.000 |
-0.001 |
0.000 |
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 |
1.618 |
0.000 |
0.000 |
-0.120 |
0.000 |
0.000 |
Slide |
0.000 |
5.230 |
0.196 |
0.000 |
-0.005 |
-0.095 |
Rise |
0.000 |
0.196 |
12.041 |
0.000 |
-0.337 |
-0.231 |
Tilt |
-0.120 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
-0.005 |
-0.337 |
0.000 |
0.034 |
0.005 |
Twist |
0.000 |
-0.095 |
-0.231 |
0.000 |
0.005 |
0.071 |
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 |
1.928 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
Slide |
0.000 |
6.391 |
0.137 |
0.000 |
0.004 |
-0.074 |
Rise |
0.000 |
0.137 |
11.171 |
0.000 |
-0.333 |
-0.228 |
Tilt |
-0.098 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
-0.333 |
0.000 |
0.032 |
0.005 |
Twist |
0.000 |
-0.074 |
-0.228 |
0.000 |
0.005 |
0.074 |
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 |
0.767 |
0.000 |
0.000 |
0.005 |
0.000 |
0.000 |
Slide |
0.000 |
4.108 |
0.808 |
0.000 |
0.013 |
-0.009 |
Rise |
0.000 |
0.807 |
3.148 |
0.000 |
-0.012 |
-0.016 |
Tilt |
0.005 |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.012 |
0.000 |
0.002 |
0.001 |
Twist |
0.000 |
-0.009 |
-0.016 |
0.000 |
0.001 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.678 |
0.000 |
0.000 |
0.015 |
0.000 |
0.000 |
Slide |
0.000 |
6.652 |
-0.295 |
0.000 |
-0.065 |
0.084 |
Rise |
0.000 |
-0.295 |
9.731 |
0.000 |
-0.300 |
-0.143 |
Tilt |
0.015 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.065 |
-0.300 |
0.000 |
0.028 |
-0.002 |
Twist |
0.000 |
0.084 |
-0.143 |
0.000 |
-0.002 |
0.082 |
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)