| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.269 |
0.000 |
0.000 |
-0.016 |
0.000 |
0.000 |
Slide |
0.000 |
2.913 |
0.882 |
0.000 |
-0.107 |
-0.129 |
Rise |
0.000 |
0.882 |
9.161 |
0.000 |
-0.051 |
-0.173 |
Tilt |
-0.016 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.107 |
-0.050 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.129 |
-0.173 |
0.000 |
0.011 |
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 |
0.968 |
0.000 |
0.000 |
-0.043 |
0.000 |
0.000 |
Slide |
0.000 |
3.700 |
2.819 |
0.000 |
0.023 |
-0.104 |
Rise |
0.000 |
2.819 |
9.730 |
0.000 |
0.157 |
-0.134 |
Tilt |
-0.043 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
0.023 |
0.157 |
0.000 |
0.021 |
0.000 |
Twist |
0.000 |
-0.104 |
-0.134 |
0.000 |
0.000 |
0.017 |
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 |
1.453 |
0.000 |
0.000 |
-0.136 |
0.000 |
0.000 |
Slide |
0.000 |
2.803 |
1.625 |
0.000 |
-0.054 |
-0.156 |
Rise |
0.000 |
1.625 |
8.144 |
0.000 |
-0.041 |
-0.150 |
Tilt |
-0.136 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.041 |
0.000 |
0.024 |
0.002 |
Twist |
0.000 |
-0.156 |
-0.150 |
0.000 |
0.002 |
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 |
1.210 |
0.000 |
0.000 |
-0.109 |
0.000 |
0.000 |
Slide |
0.000 |
1.466 |
1.724 |
0.000 |
0.004 |
-0.078 |
Rise |
0.000 |
1.724 |
7.404 |
0.000 |
-0.033 |
-0.188 |
Tilt |
-0.109 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
-0.033 |
0.000 |
0.020 |
0.004 |
Twist |
0.000 |
-0.078 |
-0.188 |
0.000 |
0.004 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.213 |
0.000 |
0.000 |
-0.100 |
0.000 |
0.000 |
Slide |
0.000 |
1.444 |
1.744 |
0.000 |
0.001 |
-0.081 |
Rise |
0.000 |
1.744 |
8.213 |
0.000 |
-0.027 |
-0.178 |
Tilt |
-0.100 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.027 |
0.000 |
0.022 |
0.004 |
Twist |
0.000 |
-0.081 |
-0.178 |
0.000 |
0.004 |
0.031 |
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 |
1.367 |
0.000 |
0.000 |
-0.104 |
0.000 |
0.000 |
Slide |
0.000 |
2.671 |
1.665 |
0.000 |
-0.053 |
-0.125 |
Rise |
0.000 |
1.665 |
7.792 |
0.000 |
-0.061 |
-0.169 |
Tilt |
-0.104 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
-0.061 |
0.000 |
0.023 |
0.004 |
Twist |
0.000 |
-0.125 |
-0.169 |
0.000 |
0.004 |
0.031 |
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 |
1.132 |
0.000 |
0.000 |
-0.062 |
0.000 |
0.000 |
Slide |
0.000 |
2.088 |
1.662 |
0.000 |
-0.054 |
-0.068 |
Rise |
0.000 |
1.662 |
8.045 |
0.000 |
-0.050 |
-0.175 |
Tilt |
-0.062 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.050 |
0.000 |
0.021 |
0.004 |
Twist |
0.000 |
-0.068 |
-0.175 |
0.000 |
0.004 |
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 |
0.800 |
0.000 |
0.000 |
-0.084 |
0.000 |
0.000 |
Slide |
0.000 |
2.481 |
1.252 |
0.000 |
-0.053 |
-0.132 |
Rise |
0.000 |
1.252 |
8.504 |
0.000 |
-0.034 |
-0.156 |
Tilt |
-0.084 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
-0.034 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.132 |
-0.156 |
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 |
2.572 |
0.000 |
0.000 |
-0.124 |
0.000 |
0.000 |
Slide |
0.000 |
3.509 |
2.730 |
0.000 |
0.058 |
-0.182 |
Rise |
0.000 |
2.730 |
11.866 |
0.000 |
0.124 |
-0.208 |
Tilt |
-0.124 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
0.058 |
0.124 |
0.000 |
0.032 |
0.003 |
Twist |
0.000 |
-0.182 |
-0.208 |
0.000 |
0.003 |
0.049 |
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 |
0.752 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
Slide |
0.000 |
2.699 |
0.681 |
0.000 |
0.007 |
-0.114 |
Rise |
0.000 |
0.681 |
7.906 |
0.000 |
-0.140 |
-0.252 |
Tilt |
-0.063 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.007 |
-0.140 |
0.000 |
0.020 |
0.011 |
Twist |
0.000 |
-0.114 |
-0.252 |
0.000 |
0.011 |
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 |
1.205 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
2.732 |
1.020 |
0.000 |
-0.063 |
-0.118 |
Rise |
0.000 |
1.020 |
8.843 |
0.000 |
-0.050 |
-0.156 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.063 |
-0.050 |
0.000 |
0.021 |
0.009 |
Twist |
0.000 |
-0.118 |
-0.156 |
0.000 |
0.009 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.838 |
0.000 |
0.000 |
-0.069 |
0.000 |
0.000 |
Slide |
0.000 |
2.719 |
1.172 |
0.000 |
-0.062 |
-0.177 |
Rise |
0.000 |
1.172 |
9.060 |
0.000 |
-0.010 |
-0.182 |
Tilt |
-0.069 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.062 |
-0.010 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.177 |
-0.182 |
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)