| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
3.164 |
0.000 |
0.000 |
0.014 |
0.000 |
0.000 |
Slide |
0.000 |
4.588 |
2.410 |
0.000 |
-0.071 |
-0.301 |
Rise |
0.000 |
2.410 |
7.297 |
0.000 |
-0.089 |
-0.164 |
Tilt |
0.014 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.071 |
-0.089 |
0.000 |
0.028 |
0.011 |
Twist |
0.000 |
-0.301 |
-0.164 |
0.000 |
0.011 |
0.082 |
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 |
2.490 |
0.000 |
0.000 |
0.015 |
0.000 |
0.000 |
Slide |
0.000 |
3.773 |
3.248 |
0.000 |
-0.097 |
-0.331 |
Rise |
0.000 |
3.248 |
11.270 |
0.000 |
0.013 |
-0.138 |
Tilt |
0.015 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.097 |
0.013 |
0.000 |
0.040 |
0.011 |
Twist |
0.000 |
-0.331 |
-0.138 |
0.000 |
0.011 |
0.088 |
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 |
2.214 |
0.000 |
0.000 |
-0.019 |
0.000 |
0.000 |
Slide |
0.000 |
3.482 |
1.682 |
0.000 |
-0.109 |
-0.296 |
Rise |
0.000 |
1.682 |
3.926 |
0.000 |
-0.046 |
-0.100 |
Tilt |
-0.019 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.109 |
-0.046 |
0.000 |
0.016 |
0.004 |
Twist |
0.000 |
-0.296 |
-0.100 |
0.000 |
0.004 |
0.070 |
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 |
2.314 |
0.000 |
0.000 |
-0.020 |
0.000 |
0.000 |
Slide |
0.000 |
3.675 |
1.661 |
0.000 |
-0.103 |
-0.334 |
Rise |
0.000 |
1.660 |
3.930 |
0.000 |
-0.040 |
-0.095 |
Tilt |
-0.020 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
-0.103 |
-0.040 |
0.000 |
0.016 |
0.003 |
Twist |
0.000 |
-0.334 |
-0.095 |
0.000 |
0.003 |
0.078 |
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 |
3.108 |
0.000 |
0.000 |
0.016 |
0.000 |
0.000 |
Slide |
0.000 |
4.113 |
2.484 |
0.000 |
-0.040 |
-0.310 |
Rise |
0.000 |
2.484 |
7.050 |
0.000 |
-0.122 |
-0.200 |
Tilt |
0.016 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.040 |
-0.122 |
0.000 |
0.023 |
0.010 |
Twist |
0.000 |
-0.310 |
-0.200 |
0.000 |
0.010 |
0.079 |
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 |
3.863 |
0.000 |
0.000 |
-0.014 |
0.000 |
0.000 |
Slide |
0.000 |
3.678 |
3.342 |
0.000 |
-0.070 |
-0.317 |
Rise |
0.000 |
3.342 |
12.964 |
0.000 |
0.013 |
-0.201 |
Tilt |
-0.014 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.070 |
0.013 |
0.000 |
0.034 |
0.008 |
Twist |
0.000 |
-0.317 |
-0.201 |
0.000 |
0.008 |
0.075 |
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 |
3.531 |
0.000 |
0.000 |
-0.016 |
0.000 |
0.000 |
Slide |
0.000 |
3.345 |
3.218 |
0.000 |
-0.067 |
-0.285 |
Rise |
0.000 |
3.218 |
12.353 |
0.000 |
0.023 |
-0.224 |
Tilt |
-0.016 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.067 |
0.023 |
0.000 |
0.033 |
0.009 |
Twist |
0.000 |
-0.285 |
-0.224 |
0.000 |
0.009 |
0.069 |
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 |
3.134 |
0.000 |
0.000 |
0.017 |
0.000 |
0.000 |
Slide |
0.000 |
3.944 |
2.352 |
0.000 |
-0.043 |
-0.302 |
Rise |
0.000 |
2.352 |
6.970 |
0.000 |
-0.108 |
-0.193 |
Tilt |
0.017 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.043 |
-0.108 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.302 |
-0.193 |
0.000 |
0.011 |
0.077 |
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 |
3.320 |
0.000 |
0.000 |
0.021 |
0.000 |
0.000 |
Slide |
0.000 |
4.979 |
2.566 |
0.000 |
-0.063 |
-0.340 |
Rise |
0.000 |
2.566 |
7.279 |
0.000 |
-0.085 |
-0.154 |
Tilt |
0.021 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.063 |
-0.085 |
0.000 |
0.028 |
0.008 |
Twist |
0.000 |
-0.340 |
-0.154 |
0.000 |
0.008 |
0.090 |
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)