| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.878 |
0.000 |
0.000 |
-0.041 |
0.000 |
0.000 |
Slide |
0.000 |
2.155 |
1.665 |
0.000 |
-0.069 |
-0.133 |
Rise |
0.000 |
1.665 |
7.959 |
0.000 |
-0.002 |
-0.178 |
Tilt |
-0.041 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.069 |
-0.002 |
0.000 |
0.023 |
0.007 |
Twist |
0.000 |
-0.133 |
-0.178 |
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 |
0.628 |
0.000 |
0.000 |
-0.075 |
0.000 |
0.000 |
Slide |
0.000 |
2.674 |
0.694 |
0.000 |
0.007 |
-0.111 |
Rise |
0.000 |
0.694 |
7.629 |
0.000 |
-0.098 |
-0.217 |
Tilt |
-0.075 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.007 |
-0.098 |
0.000 |
0.016 |
0.008 |
Twist |
0.000 |
-0.111 |
-0.217 |
0.000 |
0.008 |
0.023 |
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 |
1.045 |
0.000 |
0.000 |
-0.088 |
0.000 |
0.000 |
Slide |
0.000 |
1.752 |
1.765 |
0.000 |
-0.005 |
-0.130 |
Rise |
0.000 |
1.765 |
7.423 |
0.000 |
-0.012 |
-0.172 |
Tilt |
-0.088 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.005 |
-0.012 |
0.000 |
0.019 |
0.003 |
Twist |
0.000 |
-0.130 |
-0.172 |
0.000 |
0.003 |
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 |
1.148 |
0.000 |
0.000 |
-0.044 |
0.000 |
0.000 |
Slide |
0.000 |
2.288 |
1.519 |
0.000 |
-0.054 |
-0.123 |
Rise |
0.000 |
1.519 |
6.717 |
0.000 |
0.006 |
-0.132 |
Tilt |
-0.044 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
0.006 |
0.000 |
0.022 |
0.003 |
Twist |
0.000 |
-0.123 |
-0.132 |
0.000 |
0.003 |
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 |
0.944 |
0.000 |
0.000 |
-0.040 |
0.000 |
0.000 |
Slide |
0.000 |
1.981 |
1.501 |
0.000 |
-0.061 |
-0.098 |
Rise |
0.000 |
1.501 |
7.368 |
0.000 |
-0.019 |
-0.189 |
Tilt |
-0.040 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.061 |
-0.019 |
0.000 |
0.020 |
0.006 |
Twist |
0.000 |
-0.098 |
-0.189 |
0.000 |
0.006 |
0.023 |
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 |
2.286 |
0.000 |
0.000 |
-0.121 |
0.000 |
0.000 |
Slide |
0.000 |
2.923 |
2.954 |
0.000 |
-0.004 |
-0.098 |
Rise |
0.000 |
2.954 |
11.169 |
0.000 |
0.119 |
-0.197 |
Tilt |
-0.121 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
0.119 |
0.000 |
0.029 |
0.007 |
Twist |
0.000 |
-0.098 |
-0.197 |
0.000 |
0.007 |
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 |
1.176 |
0.000 |
0.000 |
-0.092 |
0.000 |
0.000 |
Slide |
0.000 |
1.819 |
1.867 |
0.000 |
-0.000 |
-0.126 |
Rise |
0.000 |
1.867 |
7.294 |
0.000 |
0.002 |
-0.152 |
Tilt |
-0.092 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.000 |
0.002 |
0.000 |
0.020 |
0.003 |
Twist |
0.000 |
-0.126 |
-0.152 |
0.000 |
0.003 |
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 |
0.940 |
0.000 |
0.000 |
-0.084 |
0.000 |
0.000 |
Slide |
0.000 |
2.084 |
1.075 |
0.000 |
-0.033 |
-0.119 |
Rise |
0.000 |
1.075 |
7.647 |
0.000 |
-0.044 |
-0.155 |
Tilt |
-0.084 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.033 |
-0.044 |
0.000 |
0.018 |
0.008 |
Twist |
0.000 |
-0.119 |
-0.155 |
0.000 |
0.008 |
0.026 |
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 |
0.834 |
0.000 |
0.000 |
-0.102 |
0.000 |
0.000 |
Slide |
0.000 |
2.380 |
1.143 |
0.000 |
-0.039 |
-0.132 |
Rise |
0.000 |
1.143 |
8.593 |
0.000 |
-0.009 |
-0.150 |
Tilt |
-0.102 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
-0.009 |
0.000 |
0.020 |
0.010 |
Twist |
0.000 |
-0.132 |
-0.150 |
0.000 |
0.010 |
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)