| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.983 |
0.000 |
0.000 |
-0.051 |
0.000 |
0.000 |
Slide |
0.000 |
2.417 |
1.312 |
0.000 |
-0.067 |
-0.164 |
Rise |
0.000 |
1.313 |
7.728 |
0.000 |
-0.028 |
-0.164 |
Tilt |
-0.051 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.067 |
-0.028 |
0.000 |
0.020 |
0.008 |
Twist |
0.000 |
-0.164 |
-0.164 |
0.000 |
0.008 |
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 |
1.361 |
0.000 |
0.000 |
-0.017 |
0.000 |
0.000 |
Slide |
0.000 |
2.575 |
1.232 |
0.000 |
-0.057 |
-0.133 |
Rise |
0.000 |
1.232 |
6.439 |
0.000 |
-0.040 |
-0.131 |
Tilt |
-0.017 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.057 |
-0.040 |
0.000 |
0.018 |
0.002 |
Twist |
0.000 |
-0.133 |
-0.131 |
0.000 |
0.002 |
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 |
1.645 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
2.406 |
1.350 |
0.000 |
-0.063 |
-0.148 |
Rise |
0.000 |
1.350 |
6.511 |
0.000 |
-0.049 |
-0.169 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.063 |
-0.049 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.148 |
-0.169 |
0.000 |
0.008 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.428 |
0.000 |
0.000 |
-0.061 |
0.000 |
0.000 |
Slide |
0.000 |
2.412 |
1.271 |
0.000 |
-0.055 |
-0.150 |
Rise |
0.000 |
1.271 |
7.255 |
0.000 |
-0.057 |
-0.187 |
Tilt |
-0.061 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.055 |
-0.057 |
0.000 |
0.022 |
0.007 |
Twist |
0.000 |
-0.150 |
-0.187 |
0.000 |
0.007 |
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 |
1.375 |
0.000 |
0.000 |
-0.073 |
0.000 |
0.000 |
Slide |
0.000 |
2.715 |
1.121 |
0.000 |
-0.048 |
-0.182 |
Rise |
0.000 |
1.121 |
8.187 |
0.000 |
-0.046 |
-0.165 |
Tilt |
-0.073 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.048 |
-0.046 |
0.000 |
0.021 |
0.006 |
Twist |
0.000 |
-0.182 |
-0.165 |
0.000 |
0.006 |
0.039 |
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 |
0.874 |
0.000 |
0.000 |
-0.041 |
0.000 |
0.000 |
Slide |
0.000 |
3.180 |
2.841 |
0.000 |
0.010 |
-0.063 |
Rise |
0.000 |
2.841 |
10.025 |
0.000 |
0.056 |
-0.210 |
Tilt |
-0.041 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.010 |
0.056 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.063 |
-0.210 |
0.000 |
0.011 |
0.038 |
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 |
0.734 |
0.000 |
0.000 |
-0.051 |
0.000 |
0.000 |
Slide |
0.000 |
2.500 |
1.100 |
0.000 |
0.003 |
-0.106 |
Rise |
0.000 |
1.100 |
6.526 |
0.000 |
-0.095 |
-0.221 |
Tilt |
-0.051 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
-0.095 |
0.000 |
0.017 |
0.009 |
Twist |
0.000 |
-0.106 |
-0.221 |
0.000 |
0.009 |
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 |
0.948 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
2.392 |
1.137 |
0.000 |
0.002 |
-0.112 |
Rise |
0.000 |
1.137 |
6.302 |
0.000 |
-0.041 |
-0.209 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.002 |
-0.041 |
0.000 |
0.013 |
0.004 |
Twist |
0.000 |
-0.112 |
-0.209 |
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 |
1.398 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
2.810 |
2.890 |
0.000 |
0.050 |
-0.082 |
Rise |
0.000 |
2.890 |
10.726 |
0.000 |
0.109 |
-0.212 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.050 |
0.109 |
0.000 |
0.025 |
0.006 |
Twist |
0.000 |
-0.082 |
-0.212 |
0.000 |
0.006 |
0.039 |
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)