| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.669 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
4.184 |
2.787 |
0.000 |
0.005 |
-0.105 |
Rise |
0.000 |
2.787 |
10.495 |
0.000 |
0.086 |
-0.206 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.005 |
0.086 |
0.000 |
0.021 |
0.006 |
Twist |
0.000 |
-0.105 |
-0.207 |
0.000 |
0.006 |
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 |
1.338 |
0.000 |
0.000 |
0.003 |
0.000 |
0.000 |
Slide |
0.000 |
4.706 |
3.125 |
0.000 |
-0.059 |
-0.066 |
Rise |
0.000 |
3.125 |
10.820 |
0.000 |
0.071 |
-0.135 |
Tilt |
0.003 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.059 |
0.071 |
0.000 |
0.027 |
0.010 |
Twist |
0.000 |
-0.066 |
-0.135 |
0.000 |
0.010 |
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 |
0.661 |
0.000 |
0.000 |
-0.077 |
0.000 |
0.000 |
Slide |
0.000 |
2.346 |
1.066 |
0.000 |
0.013 |
-0.097 |
Rise |
0.000 |
1.066 |
6.959 |
0.000 |
-0.063 |
-0.187 |
Tilt |
-0.077 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.063 |
0.000 |
0.016 |
0.008 |
Twist |
0.000 |
-0.097 |
-0.187 |
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 |
1.100 |
0.000 |
0.000 |
-0.120 |
0.000 |
0.000 |
Slide |
0.000 |
2.123 |
1.424 |
0.000 |
0.012 |
-0.082 |
Rise |
0.000 |
1.424 |
6.229 |
0.000 |
-0.032 |
-0.169 |
Tilt |
-0.120 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
-0.032 |
0.000 |
0.013 |
0.003 |
Twist |
0.000 |
-0.082 |
-0.169 |
0.000 |
0.003 |
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 |
0.817 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
Slide |
0.000 |
2.229 |
1.602 |
0.000 |
-0.048 |
-0.125 |
Rise |
0.000 |
1.602 |
7.514 |
0.000 |
-0.036 |
-0.170 |
Tilt |
-0.098 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.048 |
-0.036 |
0.000 |
0.018 |
0.002 |
Twist |
0.000 |
-0.125 |
-0.170 |
0.000 |
0.002 |
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 |
1.107 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
Slide |
0.000 |
2.895 |
2.374 |
0.000 |
0.067 |
-0.069 |
Rise |
0.000 |
2.374 |
10.400 |
0.000 |
0.130 |
-0.203 |
Tilt |
-0.115 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.067 |
0.130 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.069 |
-0.203 |
0.000 |
0.007 |
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 |
1.589 |
0.000 |
0.000 |
-0.135 |
0.000 |
0.000 |
Slide |
0.000 |
2.225 |
2.267 |
0.000 |
0.035 |
-0.050 |
Rise |
0.000 |
2.267 |
10.731 |
0.000 |
0.121 |
-0.191 |
Tilt |
-0.135 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
0.035 |
0.121 |
0.000 |
0.026 |
0.007 |
Twist |
0.000 |
-0.050 |
-0.191 |
0.000 |
0.007 |
0.036 |
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 |
0.441 |
0.000 |
0.000 |
-0.051 |
0.000 |
0.000 |
Slide |
0.000 |
2.423 |
0.668 |
0.000 |
0.015 |
-0.139 |
Rise |
0.000 |
0.668 |
8.176 |
0.000 |
-0.110 |
-0.222 |
Tilt |
-0.051 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.015 |
-0.110 |
0.000 |
0.018 |
0.013 |
Twist |
0.000 |
-0.139 |
-0.222 |
0.000 |
0.013 |
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 |
0.749 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
2.153 |
1.304 |
0.000 |
0.006 |
-0.097 |
Rise |
0.000 |
1.304 |
5.988 |
0.000 |
-0.057 |
-0.163 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
-0.057 |
0.000 |
0.015 |
0.006 |
Twist |
0.000 |
-0.097 |
-0.163 |
0.000 |
0.006 |
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)