| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.814 |
0.000 |
0.000 |
-0.062 |
0.000 |
0.000 |
Slide |
0.000 |
4.132 |
1.730 |
0.000 |
-0.078 |
-0.254 |
Rise |
0.000 |
1.730 |
7.636 |
0.000 |
-0.080 |
-0.164 |
Tilt |
-0.062 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.078 |
-0.080 |
0.000 |
0.023 |
0.007 |
Twist |
0.000 |
-0.254 |
-0.164 |
0.000 |
0.007 |
0.054 |
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 |
1.756 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Slide |
0.000 |
5.239 |
2.786 |
0.000 |
-0.025 |
-0.179 |
Rise |
0.000 |
2.786 |
9.695 |
0.000 |
0.040 |
-0.190 |
Tilt |
0.025 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.025 |
0.040 |
0.000 |
0.028 |
0.010 |
Twist |
0.000 |
-0.179 |
-0.190 |
0.000 |
0.010 |
0.073 |
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 |
1.018 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Slide |
0.000 |
3.471 |
1.227 |
0.000 |
-0.004 |
-0.213 |
Rise |
0.000 |
1.227 |
6.364 |
0.000 |
-0.050 |
-0.133 |
Tilt |
0.032 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
-0.050 |
0.000 |
0.018 |
0.006 |
Twist |
0.000 |
-0.213 |
-0.133 |
0.000 |
0.006 |
0.046 |
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 |
0.937 |
0.000 |
0.000 |
-0.124 |
0.000 |
0.000 |
Slide |
0.000 |
2.326 |
0.816 |
0.000 |
-0.007 |
-0.080 |
Rise |
0.000 |
0.816 |
8.444 |
0.000 |
-0.105 |
-0.227 |
Tilt |
-0.124 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.007 |
-0.105 |
0.000 |
0.016 |
0.005 |
Twist |
0.000 |
-0.080 |
-0.227 |
0.000 |
0.005 |
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 |
0.858 |
0.000 |
0.000 |
-0.109 |
0.000 |
0.000 |
Slide |
0.000 |
3.339 |
0.596 |
0.000 |
-0.038 |
-0.218 |
Rise |
0.000 |
0.596 |
8.016 |
0.000 |
-0.069 |
-0.138 |
Tilt |
-0.109 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.038 |
-0.069 |
0.000 |
0.029 |
0.012 |
Twist |
0.000 |
-0.218 |
-0.138 |
0.000 |
0.012 |
0.041 |
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 |
1.431 |
0.000 |
0.000 |
-0.156 |
0.000 |
0.000 |
Slide |
0.000 |
2.881 |
2.392 |
0.000 |
0.080 |
-0.070 |
Rise |
0.000 |
2.392 |
10.964 |
0.000 |
0.141 |
-0.229 |
Tilt |
-0.156 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
0.080 |
0.141 |
0.000 |
0.029 |
0.006 |
Twist |
0.000 |
-0.070 |
-0.229 |
0.000 |
0.006 |
0.038 |
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 |
0.906 |
0.000 |
0.000 |
0.001 |
0.000 |
0.000 |
Slide |
0.000 |
4.076 |
2.399 |
0.000 |
-0.000 |
-0.218 |
Rise |
0.000 |
2.399 |
10.154 |
0.000 |
0.067 |
-0.155 |
Tilt |
0.001 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.000 |
0.067 |
0.000 |
0.029 |
0.008 |
Twist |
0.000 |
-0.218 |
-0.155 |
0.000 |
0.008 |
0.054 |
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 |
0.995 |
0.000 |
0.000 |
-0.097 |
0.000 |
0.000 |
Slide |
0.000 |
1.770 |
1.800 |
0.000 |
-0.066 |
-0.105 |
Rise |
0.000 |
1.800 |
7.437 |
0.000 |
-0.068 |
-0.192 |
Tilt |
-0.097 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.066 |
-0.068 |
0.000 |
0.026 |
0.015 |
Twist |
0.000 |
-0.105 |
-0.192 |
0.000 |
0.015 |
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 |
1.548 |
0.000 |
0.000 |
-0.019 |
0.000 |
0.000 |
Slide |
0.000 |
3.044 |
1.650 |
0.000 |
-0.074 |
-0.154 |
Rise |
0.000 |
1.650 |
7.940 |
0.000 |
-0.041 |
-0.209 |
Tilt |
-0.019 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
-0.074 |
-0.041 |
0.000 |
0.023 |
0.005 |
Twist |
0.000 |
-0.154 |
-0.209 |
0.000 |
0.005 |
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)