| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.982 |
0.000 |
0.000 |
-0.061 |
0.000 |
0.000 |
Slide |
0.000 |
1.983 |
1.516 |
0.000 |
-0.081 |
-0.102 |
Rise |
0.000 |
1.516 |
6.741 |
0.000 |
-0.048 |
-0.170 |
Tilt |
-0.061 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.081 |
-0.048 |
0.000 |
0.022 |
0.007 |
Twist |
0.000 |
-0.102 |
-0.170 |
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 |
0.902 |
0.000 |
0.000 |
-0.075 |
0.000 |
0.000 |
Slide |
0.000 |
2.261 |
1.552 |
0.000 |
-0.057 |
-0.155 |
Rise |
0.000 |
1.552 |
7.241 |
0.000 |
-0.027 |
-0.181 |
Tilt |
-0.075 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.057 |
-0.027 |
0.000 |
0.021 |
0.007 |
Twist |
0.000 |
-0.155 |
-0.181 |
0.000 |
0.007 |
0.031 |
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 |
1.006 |
0.000 |
0.000 |
-0.041 |
0.000 |
0.000 |
Slide |
0.000 |
1.890 |
1.451 |
0.000 |
-0.074 |
-0.098 |
Rise |
0.000 |
1.451 |
6.634 |
0.000 |
-0.046 |
-0.161 |
Tilt |
-0.041 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.074 |
-0.046 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.098 |
-0.161 |
0.000 |
0.008 |
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 |
1.007 |
0.000 |
0.000 |
-0.058 |
0.000 |
0.000 |
Slide |
0.000 |
1.938 |
1.436 |
0.000 |
-0.078 |
-0.099 |
Rise |
0.000 |
1.436 |
6.447 |
0.000 |
-0.050 |
-0.164 |
Tilt |
-0.058 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.078 |
-0.050 |
0.000 |
0.022 |
0.006 |
Twist |
0.000 |
-0.099 |
-0.164 |
0.000 |
0.006 |
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 |
1.295 |
0.000 |
0.000 |
0.049 |
0.000 |
0.000 |
Slide |
0.000 |
4.498 |
3.122 |
0.000 |
-0.066 |
-0.155 |
Rise |
0.000 |
3.122 |
9.928 |
0.000 |
0.044 |
-0.134 |
Tilt |
0.049 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.066 |
0.044 |
0.000 |
0.028 |
0.013 |
Twist |
0.000 |
-0.155 |
-0.134 |
0.000 |
0.013 |
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 |
1.295 |
0.000 |
0.000 |
0.053 |
0.000 |
0.000 |
Slide |
0.000 |
4.592 |
2.796 |
0.000 |
-0.077 |
-0.152 |
Rise |
0.000 |
2.796 |
9.397 |
0.000 |
0.057 |
-0.136 |
Tilt |
0.053 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.077 |
0.057 |
0.000 |
0.028 |
0.013 |
Twist |
0.000 |
-0.152 |
-0.136 |
0.000 |
0.013 |
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 |
1.319 |
0.000 |
0.000 |
0.056 |
0.000 |
0.000 |
Slide |
0.000 |
4.388 |
2.942 |
0.000 |
-0.067 |
-0.147 |
Rise |
0.000 |
2.942 |
9.416 |
0.000 |
0.046 |
-0.153 |
Tilt |
0.056 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.067 |
0.046 |
0.000 |
0.027 |
0.012 |
Twist |
0.000 |
-0.147 |
-0.153 |
0.000 |
0.012 |
0.052 |
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 |
0.913 |
0.000 |
0.000 |
-0.072 |
0.000 |
0.000 |
Slide |
0.000 |
2.177 |
1.492 |
0.000 |
-0.054 |
-0.155 |
Rise |
0.000 |
1.491 |
7.321 |
0.000 |
-0.022 |
-0.170 |
Tilt |
-0.072 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.022 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.155 |
-0.170 |
0.000 |
0.007 |
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 |
1.333 |
0.000 |
0.000 |
-0.038 |
0.000 |
0.000 |
Slide |
0.000 |
2.372 |
1.509 |
0.000 |
-0.052 |
-0.233 |
Rise |
0.000 |
1.509 |
6.997 |
0.000 |
-0.059 |
-0.169 |
Tilt |
-0.038 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.052 |
-0.059 |
0.000 |
0.020 |
0.013 |
Twist |
0.000 |
-0.233 |
-0.169 |
0.000 |
0.013 |
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 |
1.300 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
2.575 |
1.686 |
0.000 |
-0.049 |
-0.248 |
Rise |
0.000 |
1.686 |
7.103 |
0.000 |
-0.059 |
-0.192 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.049 |
-0.059 |
0.000 |
0.019 |
0.012 |
Twist |
0.000 |
-0.248 |
-0.192 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.361 |
0.000 |
0.000 |
-0.025 |
0.000 |
0.000 |
Slide |
0.000 |
2.528 |
1.692 |
0.000 |
-0.060 |
-0.243 |
Rise |
0.000 |
1.692 |
7.027 |
0.000 |
-0.069 |
-0.188 |
Tilt |
-0.025 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.060 |
-0.069 |
0.000 |
0.020 |
0.013 |
Twist |
0.000 |
-0.243 |
-0.188 |
0.000 |
0.013 |
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 |
0.965 |
0.000 |
0.000 |
0.007 |
0.000 |
0.000 |
Slide |
0.000 |
1.536 |
1.085 |
0.000 |
-0.013 |
-0.105 |
Rise |
0.000 |
1.085 |
6.295 |
0.000 |
-0.096 |
-0.182 |
Tilt |
0.007 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
-0.013 |
-0.096 |
0.000 |
0.018 |
0.013 |
Twist |
0.000 |
-0.105 |
-0.181 |
0.000 |
0.013 |
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 |
0.912 |
0.000 |
0.000 |
0.002 |
0.000 |
0.000 |
Slide |
0.000 |
1.533 |
1.024 |
0.000 |
0.000 |
-0.080 |
Rise |
0.000 |
1.024 |
6.127 |
0.000 |
-0.092 |
-0.186 |
Tilt |
0.002 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.000 |
-0.092 |
0.000 |
0.017 |
0.012 |
Twist |
0.000 |
-0.080 |
-0.186 |
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 |
0.820 |
0.000 |
0.000 |
-0.002 |
0.000 |
0.000 |
Slide |
0.000 |
1.300 |
0.990 |
0.000 |
0.010 |
-0.065 |
Rise |
0.000 |
0.990 |
6.593 |
0.000 |
-0.105 |
-0.193 |
Tilt |
-0.002 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.010 |
-0.105 |
0.000 |
0.017 |
0.011 |
Twist |
0.000 |
-0.065 |
-0.193 |
0.000 |
0.011 |
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 |
0.965 |
0.000 |
0.000 |
0.007 |
0.000 |
0.000 |
Slide |
0.000 |
1.479 |
1.019 |
0.000 |
-0.006 |
-0.096 |
Rise |
0.000 |
1.019 |
6.242 |
0.000 |
-0.097 |
-0.181 |
Tilt |
0.007 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
-0.006 |
-0.097 |
0.000 |
0.017 |
0.012 |
Twist |
0.000 |
-0.096 |
-0.181 |
0.000 |
0.012 |
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)