| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.460 |
0.000 |
0.000 |
0.020 |
0.000 |
0.000 |
Slide |
0.000 |
1.787 |
1.210 |
0.000 |
-0.045 |
-0.125 |
Rise |
0.000 |
1.210 |
6.877 |
0.000 |
0.015 |
-0.132 |
Tilt |
0.020 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
-0.045 |
0.015 |
0.000 |
0.021 |
0.003 |
Twist |
0.000 |
-0.125 |
-0.132 |
0.000 |
0.003 |
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 |
0.657 |
0.000 |
0.000 |
-0.027 |
0.000 |
0.000 |
Slide |
0.000 |
2.365 |
1.713 |
0.000 |
-0.068 |
-0.157 |
Rise |
0.000 |
1.713 |
6.606 |
0.000 |
-0.001 |
-0.145 |
Tilt |
-0.027 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.068 |
-0.001 |
0.000 |
0.017 |
0.004 |
Twist |
0.000 |
-0.157 |
-0.145 |
0.000 |
0.004 |
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 |
0.805 |
0.000 |
0.000 |
-0.045 |
0.000 |
0.000 |
Slide |
0.000 |
1.869 |
1.459 |
0.000 |
-0.054 |
-0.084 |
Rise |
0.000 |
1.459 |
6.835 |
0.000 |
-0.038 |
-0.188 |
Tilt |
-0.045 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.038 |
0.000 |
0.017 |
0.005 |
Twist |
0.000 |
-0.084 |
-0.188 |
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 |
0.863 |
0.000 |
0.000 |
-0.107 |
0.000 |
0.000 |
Slide |
0.000 |
1.651 |
1.983 |
0.000 |
-0.014 |
-0.121 |
Rise |
0.000 |
1.983 |
7.648 |
0.000 |
-0.026 |
-0.164 |
Tilt |
-0.107 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.014 |
-0.026 |
0.000 |
0.019 |
0.006 |
Twist |
0.000 |
-0.121 |
-0.164 |
0.000 |
0.006 |
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 |
1.532 |
0.000 |
0.000 |
-0.042 |
0.000 |
0.000 |
Slide |
0.000 |
3.534 |
2.952 |
0.000 |
-0.026 |
-0.105 |
Rise |
0.000 |
2.952 |
9.649 |
0.000 |
0.053 |
-0.177 |
Tilt |
-0.042 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.026 |
0.053 |
0.000 |
0.028 |
0.010 |
Twist |
0.000 |
-0.105 |
-0.177 |
0.000 |
0.010 |
0.040 |
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 |
0.918 |
0.000 |
0.000 |
-0.075 |
0.000 |
0.000 |
Slide |
0.000 |
2.025 |
1.025 |
0.000 |
-0.037 |
-0.127 |
Rise |
0.000 |
1.025 |
7.530 |
0.000 |
-0.043 |
-0.153 |
Tilt |
-0.075 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.037 |
-0.043 |
0.000 |
0.021 |
0.011 |
Twist |
0.000 |
-0.127 |
-0.153 |
0.000 |
0.011 |
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 |
0.820 |
0.000 |
0.000 |
-0.025 |
0.000 |
0.000 |
Slide |
0.000 |
2.097 |
1.003 |
0.000 |
-0.021 |
-0.113 |
Rise |
0.000 |
1.003 |
8.165 |
0.000 |
-0.039 |
-0.158 |
Tilt |
-0.025 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
-0.021 |
-0.039 |
0.000 |
0.018 |
0.007 |
Twist |
0.000 |
-0.113 |
-0.158 |
0.000 |
0.007 |
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 |
0.891 |
0.000 |
0.000 |
-0.057 |
0.000 |
0.000 |
Slide |
0.000 |
2.016 |
1.011 |
0.000 |
-0.032 |
-0.138 |
Rise |
0.000 |
1.011 |
7.164 |
0.000 |
-0.031 |
-0.130 |
Tilt |
-0.057 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.032 |
-0.031 |
0.000 |
0.019 |
0.008 |
Twist |
0.000 |
-0.138 |
-0.130 |
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 |
0.696 |
0.000 |
0.000 |
-0.060 |
0.000 |
0.000 |
Slide |
0.000 |
2.828 |
0.534 |
0.000 |
0.005 |
-0.128 |
Rise |
0.000 |
0.534 |
8.051 |
0.000 |
-0.109 |
-0.229 |
Tilt |
-0.060 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.005 |
-0.109 |
0.000 |
0.018 |
0.010 |
Twist |
0.000 |
-0.128 |
-0.229 |
0.000 |
0.010 |
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)