| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.509 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
3.330 |
1.114 |
0.000 |
-0.106 |
-0.233 |
Rise |
0.000 |
1.114 |
7.506 |
0.000 |
-0.062 |
-0.140 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.106 |
-0.062 |
0.000 |
0.026 |
0.011 |
Twist |
0.000 |
-0.233 |
-0.140 |
0.000 |
0.011 |
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 |
1.898 |
0.000 |
0.000 |
0.014 |
0.000 |
0.000 |
Slide |
0.000 |
5.828 |
2.431 |
0.000 |
-0.042 |
-0.235 |
Rise |
0.000 |
2.431 |
10.128 |
0.000 |
0.011 |
-0.145 |
Tilt |
0.014 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.042 |
0.011 |
0.000 |
0.035 |
0.010 |
Twist |
0.000 |
-0.235 |
-0.145 |
0.000 |
0.010 |
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 |
1.133 |
0.000 |
0.000 |
-0.116 |
0.000 |
0.000 |
Slide |
0.000 |
2.169 |
0.760 |
0.000 |
0.001 |
-0.080 |
Rise |
0.000 |
0.760 |
6.674 |
0.000 |
-0.066 |
-0.180 |
Tilt |
-0.116 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.066 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.080 |
-0.180 |
0.000 |
0.007 |
0.018 |
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 |
1.044 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
2.111 |
0.778 |
0.000 |
0.010 |
-0.083 |
Rise |
0.000 |
0.777 |
6.885 |
0.000 |
-0.042 |
-0.179 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.010 |
-0.042 |
0.000 |
0.015 |
0.006 |
Twist |
0.000 |
-0.083 |
-0.179 |
0.000 |
0.006 |
0.019 |
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 |
0.902 |
0.000 |
0.000 |
-0.057 |
0.000 |
0.000 |
Slide |
0.000 |
1.958 |
1.348 |
0.000 |
-0.037 |
-0.133 |
Rise |
0.000 |
1.348 |
7.164 |
0.000 |
-0.054 |
-0.164 |
Tilt |
-0.057 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.037 |
-0.054 |
0.000 |
0.023 |
0.011 |
Twist |
0.000 |
-0.133 |
-0.164 |
0.000 |
0.011 |
0.026 |
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 |
1.354 |
0.000 |
0.000 |
-0.126 |
0.000 |
0.000 |
Slide |
0.000 |
4.354 |
2.261 |
0.000 |
0.076 |
-0.197 |
Rise |
0.000 |
2.261 |
10.310 |
0.000 |
0.127 |
-0.202 |
Tilt |
-0.126 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.076 |
0.127 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.197 |
-0.202 |
0.000 |
0.009 |
0.039 |
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 |
1.351 |
0.000 |
0.000 |
-0.122 |
0.000 |
0.000 |
Slide |
0.000 |
4.483 |
2.182 |
0.000 |
0.079 |
-0.197 |
Rise |
0.000 |
2.182 |
10.350 |
0.000 |
0.127 |
-0.208 |
Tilt |
-0.122 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.079 |
0.127 |
0.000 |
0.023 |
0.009 |
Twist |
0.000 |
-0.197 |
-0.207 |
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 |
0.870 |
0.000 |
0.000 |
-0.064 |
0.000 |
0.000 |
Slide |
0.000 |
1.906 |
1.239 |
0.000 |
-0.039 |
-0.140 |
Rise |
0.000 |
1.239 |
7.092 |
0.000 |
-0.047 |
-0.158 |
Tilt |
-0.064 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
-0.047 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.140 |
-0.158 |
0.000 |
0.012 |
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 |
1.665 |
0.000 |
0.000 |
-0.025 |
0.000 |
0.000 |
Slide |
0.000 |
3.443 |
1.287 |
0.000 |
-0.106 |
-0.235 |
Rise |
0.000 |
1.287 |
7.689 |
0.000 |
-0.061 |
-0.154 |
Tilt |
-0.025 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.106 |
-0.061 |
0.000 |
0.025 |
0.012 |
Twist |
0.000 |
-0.235 |
-0.154 |
0.000 |
0.012 |
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)