| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.566 |
0.000 |
0.000 |
-0.054 |
0.000 |
0.000 |
Slide |
0.000 |
3.375 |
1.493 |
0.000 |
-0.072 |
-0.224 |
Rise |
0.000 |
1.493 |
7.322 |
0.000 |
-0.054 |
-0.150 |
Tilt |
-0.054 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.072 |
-0.054 |
0.000 |
0.025 |
0.009 |
Twist |
0.000 |
-0.224 |
-0.150 |
0.000 |
0.009 |
0.045 |
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 |
2.129 |
0.000 |
0.000 |
0.002 |
0.000 |
0.000 |
Slide |
0.000 |
4.973 |
2.768 |
0.000 |
-0.032 |
-0.214 |
Rise |
0.000 |
2.768 |
9.714 |
0.000 |
0.055 |
-0.150 |
Tilt |
0.002 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
-0.032 |
0.055 |
0.000 |
0.034 |
0.009 |
Twist |
0.000 |
-0.214 |
-0.150 |
0.000 |
0.009 |
0.071 |
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 |
0.971 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
3.008 |
0.304 |
0.000 |
0.004 |
-0.131 |
Rise |
0.000 |
0.303 |
8.375 |
0.000 |
-0.104 |
-0.240 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
-0.104 |
0.000 |
0.017 |
0.008 |
Twist |
0.000 |
-0.131 |
-0.240 |
0.000 |
0.008 |
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 |
0.918 |
0.000 |
0.000 |
-0.122 |
0.000 |
0.000 |
Slide |
0.000 |
2.831 |
0.414 |
0.000 |
-0.008 |
-0.134 |
Rise |
0.000 |
0.414 |
8.227 |
0.000 |
-0.079 |
-0.230 |
Tilt |
-0.122 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.008 |
-0.079 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.134 |
-0.230 |
0.000 |
0.007 |
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 |
0.792 |
0.000 |
0.000 |
-0.078 |
0.000 |
0.000 |
Slide |
0.000 |
2.045 |
1.403 |
0.000 |
-0.039 |
-0.118 |
Rise |
0.000 |
1.403 |
7.577 |
0.000 |
-0.050 |
-0.162 |
Tilt |
-0.078 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
-0.050 |
0.000 |
0.025 |
0.012 |
Twist |
0.000 |
-0.118 |
-0.162 |
0.000 |
0.012 |
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 |
1.344 |
0.000 |
0.000 |
-0.124 |
0.000 |
0.000 |
Slide |
0.000 |
2.976 |
2.408 |
0.000 |
0.047 |
-0.092 |
Rise |
0.000 |
2.408 |
10.509 |
0.000 |
0.111 |
-0.235 |
Tilt |
-0.124 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.047 |
0.111 |
0.000 |
0.026 |
0.009 |
Twist |
0.000 |
-0.092 |
-0.235 |
0.000 |
0.009 |
0.037 |
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 |
1.126 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
3.228 |
2.629 |
0.000 |
0.062 |
-0.110 |
Rise |
0.000 |
2.629 |
10.736 |
0.000 |
0.120 |
-0.247 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.062 |
0.120 |
0.000 |
0.024 |
0.005 |
Twist |
0.000 |
-0.110 |
-0.247 |
0.000 |
0.005 |
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 |
0.816 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
1.980 |
1.339 |
0.000 |
-0.045 |
-0.114 |
Rise |
0.000 |
1.339 |
7.484 |
0.000 |
-0.051 |
-0.180 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.045 |
-0.051 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.114 |
-0.180 |
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 |
1.371 |
0.000 |
0.000 |
-0.067 |
0.000 |
0.000 |
Slide |
0.000 |
3.035 |
1.478 |
0.000 |
-0.053 |
-0.209 |
Rise |
0.000 |
1.478 |
7.275 |
0.000 |
-0.054 |
-0.170 |
Tilt |
-0.067 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
-0.054 |
0.000 |
0.023 |
0.006 |
Twist |
0.000 |
-0.209 |
-0.170 |
0.000 |
0.006 |
0.043 |
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)