| Shift | Slide | Rise | Tilt | Roll | Twist |
| Shift |
1.592 |
0.000 |
0.000 |
-0.021 |
0.000 |
0.000 |
| Slide |
0.000 |
4.867 |
2.846 |
0.000 |
-0.061 |
-0.109 |
| Rise |
0.000 |
2.846 |
10.136 |
0.000 |
0.060 |
-0.137 |
| Tilt |
-0.021 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.061 |
0.060 |
0.000 |
0.031 |
0.012 |
| Twist |
0.000 |
-0.109 |
-0.137 |
0.000 |
0.012 |
0.048 |
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 |
0.600 |
0.000 |
0.000 |
-0.085 |
0.000 |
0.000 |
| Slide |
0.000 |
2.330 |
0.889 |
0.000 |
0.014 |
-0.099 |
| Rise |
0.000 |
0.889 |
6.973 |
0.000 |
-0.073 |
-0.204 |
| Tilt |
-0.085 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
| Roll |
0.000 |
0.014 |
-0.073 |
0.000 |
0.016 |
0.008 |
| Twist |
0.000 |
-0.099 |
-0.204 |
0.000 |
0.008 |
0.032 |
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 |
0.803 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
| Slide |
0.000 |
1.654 |
1.671 |
0.000 |
-0.035 |
-0.131 |
| Rise |
0.000 |
1.671 |
8.431 |
0.000 |
-0.015 |
-0.149 |
| Tilt |
-0.112 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.035 |
-0.015 |
0.000 |
0.021 |
0.006 |
| Twist |
0.000 |
-0.131 |
-0.149 |
0.000 |
0.006 |
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 |
0.943 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
| Slide |
0.000 |
3.029 |
0.607 |
0.000 |
-0.003 |
-0.162 |
| Rise |
0.000 |
0.607 |
8.256 |
0.000 |
-0.083 |
-0.240 |
| Tilt |
-0.115 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.003 |
-0.083 |
0.000 |
0.017 |
0.008 |
| Twist |
0.000 |
-0.162 |
-0.240 |
0.000 |
0.008 |
0.027 |
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 |
1.189 |
0.000 |
0.000 |
-0.141 |
0.000 |
0.000 |
| Slide |
0.000 |
2.939 |
0.757 |
0.000 |
-0.004 |
-0.144 |
| Rise |
0.000 |
0.757 |
7.808 |
0.000 |
-0.052 |
-0.233 |
| Tilt |
-0.141 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.004 |
-0.052 |
0.000 |
0.015 |
0.006 |
| Twist |
0.000 |
-0.144 |
-0.233 |
0.000 |
0.006 |
0.027 |
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 |
1.394 |
0.000 |
0.000 |
-0.135 |
0.000 |
0.000 |
| Slide |
0.000 |
2.871 |
2.944 |
0.000 |
0.037 |
-0.062 |
| Rise |
0.000 |
2.944 |
11.829 |
0.000 |
0.106 |
-0.247 |
| Tilt |
-0.135 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
| Roll |
0.000 |
0.037 |
0.106 |
0.000 |
0.026 |
0.005 |
| Twist |
0.000 |
-0.062 |
-0.247 |
0.000 |
0.005 |
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 |
1.160 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
| Slide |
0.000 |
2.750 |
2.706 |
0.000 |
0.020 |
-0.055 |
| Rise |
0.000 |
2.706 |
10.807 |
0.000 |
0.087 |
-0.242 |
| Tilt |
-0.086 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
| Roll |
0.000 |
0.020 |
0.087 |
0.000 |
0.025 |
0.006 |
| Twist |
0.000 |
-0.055 |
-0.242 |
0.000 |
0.006 |
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 |
1.142 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
| Slide |
0.000 |
1.370 |
1.627 |
0.000 |
-0.022 |
-0.089 |
| Rise |
0.000 |
1.627 |
8.178 |
0.000 |
-0.019 |
-0.152 |
| Tilt |
-0.115 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.022 |
-0.019 |
0.000 |
0.021 |
0.008 |
| Twist |
0.000 |
-0.089 |
-0.152 |
0.000 |
0.008 |
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 |
0.906 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
| Slide |
0.000 |
2.157 |
1.015 |
0.000 |
-0.026 |
-0.096 |
| Rise |
0.000 |
1.015 |
8.198 |
0.000 |
-0.029 |
-0.164 |
| Tilt |
-0.112 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.026 |
-0.029 |
0.000 |
0.022 |
0.011 |
| Twist |
0.000 |
-0.096 |
-0.164 |
0.000 |
0.011 |
0.034 |
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)