| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.270 |
0.000 |
0.000 |
-0.087 |
0.000 |
0.000 |
Slide |
0.000 |
2.682 |
1.280 |
0.000 |
-0.059 |
-0.175 |
Rise |
0.000 |
1.280 |
8.245 |
0.000 |
-0.051 |
-0.153 |
Tilt |
-0.087 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.059 |
-0.051 |
0.000 |
0.023 |
0.009 |
Twist |
0.000 |
-0.175 |
-0.153 |
0.000 |
0.009 |
0.040 |
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 |
2.278 |
0.000 |
0.000 |
0.016 |
0.000 |
0.000 |
Slide |
0.000 |
5.738 |
2.420 |
0.000 |
-0.032 |
-0.257 |
Rise |
0.000 |
2.420 |
10.605 |
0.000 |
0.044 |
-0.134 |
Tilt |
0.016 |
0.000 |
0.000 |
0.048 |
0.000 |
0.000 |
Roll |
0.000 |
-0.032 |
0.044 |
0.000 |
0.036 |
0.010 |
Twist |
0.000 |
-0.257 |
-0.134 |
0.000 |
0.010 |
0.074 |
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 |
0.947 |
0.000 |
0.000 |
-0.105 |
0.000 |
0.000 |
Slide |
0.000 |
2.746 |
0.400 |
0.000 |
0.015 |
-0.117 |
Rise |
0.000 |
0.400 |
8.118 |
0.000 |
-0.088 |
-0.237 |
Tilt |
-0.105 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.015 |
-0.088 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.117 |
-0.237 |
0.000 |
0.007 |
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 |
0.983 |
0.000 |
0.000 |
-0.123 |
0.000 |
0.000 |
Slide |
0.000 |
2.738 |
0.626 |
0.000 |
0.010 |
-0.115 |
Rise |
0.000 |
0.626 |
7.707 |
0.000 |
-0.090 |
-0.232 |
Tilt |
-0.123 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.010 |
-0.090 |
0.000 |
0.017 |
0.008 |
Twist |
0.000 |
-0.115 |
-0.232 |
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 |
0.850 |
0.000 |
0.000 |
-0.088 |
0.000 |
0.000 |
Slide |
0.000 |
2.179 |
1.345 |
0.000 |
-0.028 |
-0.127 |
Rise |
0.000 |
1.345 |
7.692 |
0.000 |
-0.055 |
-0.176 |
Tilt |
-0.088 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.028 |
-0.055 |
0.000 |
0.020 |
0.010 |
Twist |
0.000 |
-0.127 |
-0.176 |
0.000 |
0.010 |
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 |
1.057 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
Slide |
0.000 |
3.123 |
1.786 |
0.000 |
0.055 |
-0.077 |
Rise |
0.000 |
1.786 |
8.790 |
0.000 |
0.092 |
-0.150 |
Tilt |
-0.098 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.055 |
0.092 |
0.000 |
0.024 |
0.009 |
Twist |
0.000 |
-0.077 |
-0.150 |
0.000 |
0.009 |
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 |
1.128 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
Slide |
0.000 |
2.670 |
2.293 |
0.000 |
0.080 |
-0.081 |
Rise |
0.000 |
2.293 |
10.755 |
0.000 |
0.156 |
-0.233 |
Tilt |
-0.111 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.080 |
0.156 |
0.000 |
0.023 |
0.004 |
Twist |
0.000 |
-0.081 |
-0.233 |
0.000 |
0.004 |
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 |
0.759 |
0.000 |
0.000 |
-0.082 |
0.000 |
0.000 |
Slide |
0.000 |
2.003 |
1.397 |
0.000 |
-0.029 |
-0.120 |
Rise |
0.000 |
1.397 |
7.758 |
0.000 |
-0.058 |
-0.178 |
Tilt |
-0.082 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.029 |
-0.058 |
0.000 |
0.024 |
0.012 |
Twist |
0.000 |
-0.120 |
-0.178 |
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 |
1.649 |
0.000 |
0.000 |
-0.072 |
0.000 |
0.000 |
Slide |
0.000 |
3.546 |
1.511 |
0.000 |
-0.060 |
-0.249 |
Rise |
0.000 |
1.511 |
8.072 |
0.000 |
-0.056 |
-0.158 |
Tilt |
-0.072 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.060 |
-0.056 |
0.000 |
0.026 |
0.007 |
Twist |
0.000 |
-0.249 |
-0.158 |
0.000 |
0.007 |
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)