| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.473 |
0.000 |
0.000 |
-0.067 |
0.000 |
0.000 |
Slide |
0.000 |
3.125 |
1.351 |
0.000 |
-0.063 |
-0.194 |
Rise |
0.000 |
1.351 |
8.083 |
0.000 |
-0.039 |
-0.143 |
Tilt |
-0.067 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.063 |
-0.039 |
0.000 |
0.024 |
0.007 |
Twist |
0.000 |
-0.194 |
-0.143 |
0.000 |
0.007 |
0.041 |
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 |
2.253 |
0.000 |
0.000 |
0.001 |
0.000 |
0.000 |
Slide |
0.000 |
5.826 |
2.860 |
0.000 |
-0.014 |
-0.229 |
Rise |
0.000 |
2.860 |
11.010 |
0.000 |
0.059 |
-0.152 |
Tilt |
0.001 |
0.000 |
0.000 |
0.048 |
0.000 |
0.000 |
Roll |
0.000 |
-0.014 |
0.059 |
0.000 |
0.036 |
0.006 |
Twist |
0.000 |
-0.229 |
-0.152 |
0.000 |
0.006 |
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 |
1.017 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
Slide |
0.000 |
2.589 |
0.416 |
0.000 |
0.009 |
-0.119 |
Rise |
0.000 |
0.415 |
8.411 |
0.000 |
-0.094 |
-0.244 |
Tilt |
-0.111 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
-0.094 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.119 |
-0.244 |
0.000 |
0.007 |
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 |
1.001 |
0.000 |
0.000 |
-0.123 |
0.000 |
0.000 |
Slide |
0.000 |
2.539 |
0.972 |
0.000 |
0.004 |
-0.115 |
Rise |
0.000 |
0.973 |
7.126 |
0.000 |
-0.087 |
-0.248 |
Tilt |
-0.123 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
-0.087 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.115 |
-0.248 |
0.000 |
0.007 |
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 |
0.797 |
0.000 |
0.000 |
-0.085 |
0.000 |
0.000 |
Slide |
0.000 |
2.089 |
1.301 |
0.000 |
-0.044 |
-0.130 |
Rise |
0.000 |
1.301 |
7.418 |
0.000 |
-0.061 |
-0.176 |
Tilt |
-0.085 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.044 |
-0.061 |
0.000 |
0.023 |
0.011 |
Twist |
0.000 |
-0.130 |
-0.176 |
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 |
1.240 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
Slide |
0.000 |
2.866 |
2.534 |
0.000 |
0.068 |
-0.065 |
Rise |
0.000 |
2.534 |
10.504 |
0.000 |
0.179 |
-0.200 |
Tilt |
-0.115 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.068 |
0.179 |
0.000 |
0.026 |
0.005 |
Twist |
0.000 |
-0.065 |
-0.200 |
0.000 |
0.005 |
0.029 |
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 |
1.094 |
0.000 |
0.000 |
-0.077 |
0.000 |
0.000 |
Slide |
0.000 |
2.811 |
0.846 |
0.000 |
0.018 |
-0.070 |
Rise |
0.000 |
0.846 |
7.635 |
0.000 |
0.041 |
-0.147 |
Tilt |
-0.077 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.018 |
0.041 |
0.000 |
0.021 |
0.004 |
Twist |
0.000 |
-0.070 |
-0.147 |
0.000 |
0.004 |
0.020 |
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 |
0.795 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
2.179 |
1.527 |
0.000 |
-0.047 |
-0.131 |
Rise |
0.000 |
1.527 |
8.104 |
0.000 |
-0.052 |
-0.179 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.047 |
-0.052 |
0.000 |
0.025 |
0.011 |
Twist |
0.000 |
-0.131 |
-0.179 |
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 |
1.382 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
Slide |
0.000 |
3.069 |
1.355 |
0.000 |
-0.055 |
-0.202 |
Rise |
0.000 |
1.355 |
7.977 |
0.000 |
-0.060 |
-0.181 |
Tilt |
-0.063 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.055 |
-0.060 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.202 |
-0.181 |
0.000 |
0.007 |
0.042 |
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)