| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.579 |
0.000 |
0.000 |
-0.056 |
0.000 |
0.000 |
Slide |
0.000 |
3.111 |
1.349 |
0.000 |
-0.077 |
-0.201 |
Rise |
0.000 |
1.349 |
7.471 |
0.000 |
-0.053 |
-0.178 |
Tilt |
-0.056 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.077 |
-0.053 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.201 |
-0.178 |
0.000 |
0.011 |
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 |
1.405 |
0.000 |
0.000 |
-0.037 |
0.000 |
0.000 |
Slide |
0.000 |
2.984 |
1.053 |
0.000 |
-0.089 |
-0.173 |
Rise |
0.000 |
1.053 |
8.080 |
0.000 |
-0.056 |
-0.161 |
Tilt |
-0.037 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.089 |
-0.056 |
0.000 |
0.023 |
0.011 |
Twist |
0.000 |
-0.173 |
-0.161 |
0.000 |
0.011 |
0.035 |
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 |
1.563 |
0.000 |
0.000 |
-0.057 |
0.000 |
0.000 |
Slide |
0.000 |
2.897 |
1.346 |
0.000 |
-0.085 |
-0.174 |
Rise |
0.000 |
1.346 |
7.425 |
0.000 |
-0.052 |
-0.186 |
Tilt |
-0.057 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.085 |
-0.052 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.174 |
-0.186 |
0.000 |
0.012 |
0.037 |
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 |
0.893 |
0.000 |
0.000 |
-0.019 |
0.000 |
0.000 |
Slide |
0.000 |
3.525 |
2.402 |
0.000 |
0.037 |
-0.153 |
Rise |
0.000 |
2.402 |
9.108 |
0.000 |
0.063 |
-0.218 |
Tilt |
-0.019 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.037 |
0.063 |
0.000 |
0.021 |
0.009 |
Twist |
0.000 |
-0.153 |
-0.218 |
0.000 |
0.009 |
0.044 |
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 |
1.505 |
0.000 |
0.000 |
-0.062 |
0.000 |
0.000 |
Slide |
0.000 |
3.599 |
2.099 |
0.000 |
0.029 |
-0.156 |
Rise |
0.000 |
2.099 |
9.485 |
0.000 |
0.071 |
-0.230 |
Tilt |
-0.062 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.029 |
0.071 |
0.000 |
0.026 |
0.011 |
Twist |
0.000 |
-0.156 |
-0.230 |
0.000 |
0.011 |
0.044 |
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 |
0.935 |
0.000 |
0.000 |
-0.027 |
0.000 |
0.000 |
Slide |
0.000 |
3.233 |
2.698 |
0.000 |
0.030 |
-0.107 |
Rise |
0.000 |
2.698 |
9.315 |
0.000 |
0.058 |
-0.251 |
Tilt |
-0.027 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
0.030 |
0.058 |
0.000 |
0.021 |
0.009 |
Twist |
0.000 |
-0.107 |
-0.251 |
0.000 |
0.009 |
0.032 |
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 |
0.852 |
0.000 |
0.000 |
-0.023 |
0.000 |
0.000 |
Slide |
0.000 |
3.485 |
2.701 |
0.000 |
0.034 |
-0.144 |
Rise |
0.000 |
2.701 |
9.538 |
0.000 |
0.065 |
-0.237 |
Tilt |
-0.023 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.034 |
0.065 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.144 |
-0.238 |
0.000 |
0.009 |
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 |
0.751 |
0.000 |
0.000 |
-0.026 |
0.000 |
0.000 |
Slide |
0.000 |
1.900 |
0.907 |
0.000 |
-0.004 |
-0.075 |
Rise |
0.000 |
0.907 |
5.859 |
0.000 |
-0.114 |
-0.195 |
Tilt |
-0.026 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
-0.114 |
0.000 |
0.014 |
0.008 |
Twist |
0.000 |
-0.075 |
-0.195 |
0.000 |
0.008 |
0.021 |
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 |
1.347 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
2.019 |
0.803 |
0.000 |
-0.006 |
-0.057 |
Rise |
0.000 |
0.803 |
6.276 |
0.000 |
-0.108 |
-0.232 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
-0.006 |
-0.108 |
0.000 |
0.019 |
0.007 |
Twist |
0.000 |
-0.057 |
-0.232 |
0.000 |
0.007 |
0.015 |
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 |
0.098 |
0.000 |
0.000 |
0.009 |
0.000 |
0.000 |
Slide |
0.000 |
1.089 |
-0.037 |
0.000 |
-0.017 |
-0.021 |
Rise |
0.000 |
-0.037 |
1.588 |
0.000 |
-0.026 |
-0.062 |
Tilt |
0.009 |
0.000 |
0.000 |
0.005 |
0.000 |
0.000 |
Roll |
0.000 |
-0.016 |
-0.026 |
0.000 |
0.003 |
-0.001 |
Twist |
0.000 |
-0.021 |
-0.062 |
0.000 |
-0.001 |
0.008 |
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 |
1.197 |
0.000 |
0.000 |
-0.101 |
0.000 |
0.000 |
Slide |
0.000 |
1.831 |
0.833 |
0.000 |
0.011 |
-0.054 |
Rise |
0.000 |
0.833 |
6.544 |
0.000 |
-0.103 |
-0.232 |
Tilt |
-0.101 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
-0.103 |
0.000 |
0.018 |
0.007 |
Twist |
0.000 |
-0.054 |
-0.232 |
0.000 |
0.007 |
0.015 |
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 |
1.287 |
0.000 |
0.000 |
-0.092 |
0.000 |
0.000 |
Slide |
0.000 |
1.970 |
0.766 |
0.000 |
0.002 |
-0.051 |
Rise |
0.000 |
0.766 |
6.453 |
0.000 |
-0.101 |
-0.234 |
Tilt |
-0.092 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.002 |
-0.101 |
0.000 |
0.019 |
0.007 |
Twist |
0.000 |
-0.051 |
-0.234 |
0.000 |
0.007 |
0.015 |
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 |
-0.052 |
0.000 |
0.000 |
Slide |
0.000 |
1.764 |
1.163 |
0.000 |
-0.044 |
-0.078 |
Rise |
0.000 |
1.163 |
6.744 |
0.000 |
-0.043 |
-0.174 |
Tilt |
-0.052 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.044 |
-0.043 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.078 |
-0.174 |
0.000 |
0.011 |
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 |
0.969 |
0.000 |
0.000 |
-0.058 |
0.000 |
0.000 |
Slide |
0.000 |
1.733 |
1.268 |
0.000 |
-0.033 |
-0.104 |
Rise |
0.000 |
1.268 |
6.894 |
0.000 |
-0.044 |
-0.190 |
Tilt |
-0.058 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.033 |
-0.044 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.104 |
-0.190 |
0.000 |
0.012 |
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 |
0.973 |
0.000 |
0.000 |
-0.056 |
0.000 |
0.000 |
Slide |
0.000 |
1.764 |
1.333 |
0.000 |
-0.043 |
-0.110 |
Rise |
0.000 |
1.333 |
7.096 |
0.000 |
-0.046 |
-0.204 |
Tilt |
-0.056 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.043 |
-0.046 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.110 |
-0.204 |
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)