| Shift | Slide | Rise | Tilt | Roll | Twist |
| Shift |
1.379 |
0.000 |
0.000 |
-0.038 |
0.000 |
0.000 |
| Slide |
0.000 |
3.458 |
1.135 |
0.000 |
-0.092 |
-0.244 |
| Rise |
0.000 |
1.135 |
7.505 |
0.000 |
-0.052 |
-0.147 |
| Tilt |
-0.038 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.092 |
-0.052 |
0.000 |
0.025 |
0.011 |
| Twist |
0.000 |
-0.244 |
-0.147 |
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 |
1.739 |
0.000 |
0.000 |
0.011 |
0.000 |
0.000 |
| Slide |
0.000 |
5.534 |
2.309 |
0.000 |
-0.022 |
-0.218 |
| Rise |
0.000 |
2.309 |
9.104 |
0.000 |
-0.008 |
-0.160 |
| Tilt |
0.011 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.022 |
-0.008 |
0.000 |
0.033 |
0.009 |
| Twist |
0.000 |
-0.218 |
-0.160 |
0.000 |
0.009 |
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 |
1.122 |
0.000 |
0.000 |
-0.101 |
0.000 |
0.000 |
| Slide |
0.000 |
2.470 |
0.451 |
0.000 |
0.009 |
-0.090 |
| Rise |
0.000 |
0.451 |
6.970 |
0.000 |
-0.080 |
-0.206 |
| Tilt |
-0.101 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
| Roll |
0.000 |
0.009 |
-0.080 |
0.000 |
0.017 |
0.006 |
| Twist |
0.000 |
-0.090 |
-0.206 |
0.000 |
0.006 |
0.016 |
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 |
1.054 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
| Slide |
0.000 |
2.371 |
0.419 |
0.000 |
0.015 |
-0.090 |
| Rise |
0.000 |
0.419 |
6.779 |
0.000 |
-0.072 |
-0.208 |
| Tilt |
-0.112 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
| Roll |
0.000 |
0.015 |
-0.072 |
0.000 |
0.016 |
0.007 |
| Twist |
0.000 |
-0.090 |
-0.208 |
0.000 |
0.007 |
0.017 |
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 |
0.929 |
0.000 |
0.000 |
-0.060 |
0.000 |
0.000 |
| Slide |
0.000 |
1.890 |
1.383 |
0.000 |
-0.045 |
-0.119 |
| Rise |
0.000 |
1.383 |
7.252 |
0.000 |
-0.036 |
-0.168 |
| Tilt |
-0.060 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.045 |
-0.036 |
0.000 |
0.023 |
0.012 |
| Twist |
0.000 |
-0.119 |
-0.168 |
0.000 |
0.012 |
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 |
1.116 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
| Slide |
0.000 |
3.240 |
1.857 |
0.000 |
0.063 |
-0.106 |
| Rise |
0.000 |
1.857 |
9.364 |
0.000 |
0.121 |
-0.178 |
| Tilt |
-0.098 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
| Roll |
0.000 |
0.063 |
0.121 |
0.000 |
0.022 |
0.010 |
| Twist |
0.000 |
-0.106 |
-0.178 |
0.000 |
0.010 |
0.028 |
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 |
1.165 |
0.000 |
0.000 |
-0.103 |
0.000 |
0.000 |
| Slide |
0.000 |
3.439 |
2.645 |
0.000 |
0.085 |
-0.144 |
| Rise |
0.000 |
2.645 |
10.593 |
0.000 |
0.160 |
-0.232 |
| Tilt |
-0.103 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
| Roll |
0.000 |
0.085 |
0.159 |
0.000 |
0.023 |
0.008 |
| Twist |
0.000 |
-0.144 |
-0.232 |
0.000 |
0.008 |
0.033 |
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 |
0.846 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
| Slide |
0.000 |
2.005 |
1.233 |
0.000 |
-0.059 |
-0.132 |
| Rise |
0.000 |
1.233 |
6.928 |
0.000 |
-0.044 |
-0.160 |
| Tilt |
-0.063 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.059 |
-0.044 |
0.000 |
0.025 |
0.013 |
| Twist |
0.000 |
-0.132 |
-0.160 |
0.000 |
0.013 |
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 |
1.489 |
0.000 |
0.000 |
-0.045 |
0.000 |
0.000 |
| Slide |
0.000 |
3.570 |
1.423 |
0.000 |
-0.091 |
-0.247 |
| Rise |
0.000 |
1.423 |
7.767 |
0.000 |
-0.057 |
-0.163 |
| Tilt |
-0.045 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.091 |
-0.057 |
0.000 |
0.025 |
0.011 |
| Twist |
0.000 |
-0.247 |
-0.163 |
0.000 |
0.011 |
0.047 |
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)