| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.363 |
0.000 |
0.000 |
-0.072 |
0.000 |
0.000 |
Slide |
0.000 |
3.132 |
1.590 |
0.000 |
-0.061 |
-0.207 |
Rise |
0.000 |
1.590 |
8.063 |
0.000 |
-0.051 |
-0.174 |
Tilt |
-0.072 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.061 |
-0.051 |
0.000 |
0.025 |
0.006 |
Twist |
0.000 |
-0.207 |
-0.174 |
0.000 |
0.006 |
0.043 |
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 |
2.357 |
0.000 |
0.000 |
-0.002 |
0.000 |
0.000 |
Slide |
0.000 |
5.509 |
2.741 |
0.000 |
-0.027 |
-0.220 |
Rise |
0.000 |
2.741 |
10.866 |
0.000 |
0.046 |
-0.134 |
Tilt |
-0.002 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
-0.027 |
0.046 |
0.000 |
0.037 |
0.008 |
Twist |
0.000 |
-0.220 |
-0.134 |
0.000 |
0.008 |
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 |
0.936 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
Slide |
0.000 |
2.722 |
0.452 |
0.000 |
0.003 |
-0.126 |
Rise |
0.000 |
0.452 |
8.305 |
0.000 |
-0.087 |
-0.244 |
Tilt |
-0.115 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
-0.087 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.126 |
-0.244 |
0.000 |
0.007 |
0.025 |
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 |
1.034 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
2.893 |
0.307 |
0.000 |
0.011 |
-0.122 |
Rise |
0.000 |
0.307 |
8.550 |
0.000 |
-0.096 |
-0.237 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
-0.096 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.122 |
-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 |
0.814 |
0.000 |
0.000 |
-0.084 |
0.000 |
0.000 |
Slide |
0.000 |
2.110 |
1.390 |
0.000 |
-0.042 |
-0.130 |
Rise |
0.000 |
1.390 |
7.850 |
0.000 |
-0.053 |
-0.177 |
Tilt |
-0.084 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.042 |
-0.053 |
0.000 |
0.023 |
0.011 |
Twist |
0.000 |
-0.130 |
-0.177 |
0.000 |
0.011 |
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 |
1.143 |
0.000 |
0.000 |
-0.123 |
0.000 |
0.000 |
Slide |
0.000 |
3.123 |
2.229 |
0.000 |
0.064 |
-0.081 |
Rise |
0.000 |
2.229 |
10.603 |
0.000 |
0.127 |
-0.196 |
Tilt |
-0.123 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.064 |
0.127 |
0.000 |
0.023 |
0.004 |
Twist |
0.000 |
-0.081 |
-0.196 |
0.000 |
0.004 |
0.025 |
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 |
1.055 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
Slide |
0.000 |
3.067 |
2.130 |
0.000 |
0.070 |
-0.089 |
Rise |
0.000 |
2.130 |
10.434 |
0.000 |
0.128 |
-0.215 |
Tilt |
-0.112 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.070 |
0.128 |
0.000 |
0.025 |
0.006 |
Twist |
0.000 |
-0.089 |
-0.215 |
0.000 |
0.006 |
0.034 |
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 |
0.830 |
0.000 |
0.000 |
-0.080 |
0.000 |
0.000 |
Slide |
0.000 |
2.158 |
1.489 |
0.000 |
-0.041 |
-0.132 |
Rise |
0.000 |
1.489 |
8.000 |
0.000 |
-0.047 |
-0.172 |
Tilt |
-0.080 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.041 |
-0.047 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.132 |
-0.172 |
0.000 |
0.007 |
0.025 |
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 |
1.416 |
0.000 |
0.000 |
-0.071 |
0.000 |
0.000 |
Slide |
0.000 |
3.036 |
1.262 |
0.000 |
-0.069 |
-0.200 |
Rise |
0.000 |
1.262 |
7.711 |
0.000 |
-0.040 |
-0.144 |
Tilt |
-0.071 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.069 |
-0.040 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.200 |
-0.144 |
0.000 |
0.007 |
0.043 |
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)