| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.040 |
0.000 |
0.000 |
-0.023 |
0.000 |
0.000 |
Slide |
0.000 |
3.126 |
2.513 |
0.000 |
0.023 |
-0.079 |
Rise |
0.000 |
2.513 |
8.881 |
0.000 |
0.073 |
-0.217 |
Tilt |
-0.023 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.023 |
0.073 |
0.000 |
0.021 |
0.011 |
Twist |
0.000 |
-0.079 |
-0.217 |
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 |
1.009 |
0.000 |
0.000 |
-0.018 |
0.000 |
0.000 |
Slide |
0.000 |
3.188 |
2.219 |
0.000 |
0.024 |
-0.063 |
Rise |
0.000 |
2.219 |
9.204 |
0.000 |
0.071 |
-0.213 |
Tilt |
-0.018 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
0.024 |
0.070 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.063 |
-0.213 |
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 |
1.065 |
0.000 |
0.000 |
-0.024 |
0.000 |
0.000 |
Slide |
0.000 |
3.174 |
2.518 |
0.000 |
0.019 |
-0.072 |
Rise |
0.000 |
2.518 |
9.128 |
0.000 |
0.064 |
-0.214 |
Tilt |
-0.024 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
0.019 |
0.064 |
0.000 |
0.022 |
0.012 |
Twist |
0.000 |
-0.072 |
-0.214 |
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 |
0.751 |
0.000 |
0.000 |
-0.058 |
0.000 |
0.000 |
Slide |
0.000 |
1.169 |
0.305 |
0.000 |
-0.006 |
0.046 |
Rise |
0.000 |
0.304 |
5.464 |
0.000 |
-0.003 |
-0.013 |
Tilt |
-0.058 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
-0.006 |
-0.003 |
0.000 |
0.016 |
0.001 |
Twist |
0.000 |
0.046 |
-0.013 |
0.000 |
0.001 |
0.004 |
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 |
1.288 |
0.000 |
0.000 |
-0.117 |
0.000 |
0.000 |
Slide |
0.000 |
2.080 |
1.572 |
0.000 |
0.001 |
-0.100 |
Rise |
0.000 |
1.572 |
5.275 |
0.000 |
-0.060 |
-0.185 |
Tilt |
-0.117 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.060 |
0.000 |
0.015 |
0.005 |
Twist |
0.000 |
-0.100 |
-0.185 |
0.000 |
0.005 |
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 |
1.407 |
0.000 |
0.000 |
-0.123 |
0.000 |
0.000 |
Slide |
0.000 |
1.971 |
1.583 |
0.000 |
0.002 |
-0.107 |
Rise |
0.000 |
1.583 |
5.504 |
0.000 |
-0.063 |
-0.190 |
Tilt |
-0.123 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.002 |
-0.063 |
0.000 |
0.015 |
0.005 |
Twist |
0.000 |
-0.107 |
-0.190 |
0.000 |
0.005 |
0.023 |
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 |
1.339 |
0.000 |
0.000 |
-0.118 |
0.000 |
0.000 |
Slide |
0.000 |
1.886 |
1.360 |
0.000 |
0.002 |
-0.095 |
Rise |
0.000 |
1.360 |
5.215 |
0.000 |
-0.064 |
-0.178 |
Tilt |
-0.118 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.002 |
-0.064 |
0.000 |
0.014 |
0.005 |
Twist |
0.000 |
-0.095 |
-0.178 |
0.000 |
0.005 |
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 |
0.912 |
0.000 |
0.000 |
-0.100 |
0.000 |
0.000 |
Slide |
0.000 |
2.085 |
1.545 |
0.000 |
-0.040 |
-0.118 |
Rise |
0.000 |
1.545 |
7.672 |
0.000 |
-0.035 |
-0.198 |
Tilt |
-0.100 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.040 |
-0.035 |
0.000 |
0.019 |
0.007 |
Twist |
0.000 |
-0.118 |
-0.198 |
0.000 |
0.007 |
0.029 |
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 |
1.069 |
0.000 |
0.000 |
-0.022 |
0.000 |
0.000 |
Slide |
0.000 |
3.217 |
2.693 |
0.000 |
0.014 |
-0.078 |
Rise |
0.000 |
2.693 |
9.393 |
0.000 |
0.058 |
-0.238 |
Tilt |
-0.022 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
0.058 |
0.000 |
0.022 |
0.012 |
Twist |
0.000 |
-0.078 |
-0.238 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.057 |
0.000 |
0.000 |
-0.018 |
0.000 |
0.000 |
Slide |
0.000 |
3.434 |
2.655 |
0.000 |
0.025 |
-0.080 |
Rise |
0.000 |
2.655 |
9.731 |
0.000 |
0.093 |
-0.223 |
Tilt |
-0.018 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
0.025 |
0.093 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.080 |
-0.223 |
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 |
1.040 |
0.000 |
0.000 |
-0.028 |
0.000 |
0.000 |
Slide |
0.000 |
3.277 |
2.603 |
0.000 |
0.014 |
-0.089 |
Rise |
0.000 |
2.603 |
9.307 |
0.000 |
0.076 |
-0.217 |
Tilt |
-0.028 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
0.076 |
0.000 |
0.021 |
0.009 |
Twist |
0.000 |
-0.089 |
-0.217 |
0.000 |
0.009 |
0.027 |
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 |
0.657 |
0.000 |
0.000 |
-0.007 |
0.000 |
0.000 |
Slide |
0.000 |
1.736 |
0.940 |
0.000 |
0.009 |
-0.086 |
Rise |
0.000 |
0.940 |
7.173 |
0.000 |
-0.110 |
-0.226 |
Tilt |
-0.007 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
-0.110 |
0.000 |
0.017 |
0.011 |
Twist |
0.000 |
-0.086 |
-0.226 |
0.000 |
0.011 |
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 |
0.516 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
0.966 |
0.310 |
0.000 |
0.039 |
-0.016 |
Rise |
0.000 |
0.310 |
6.632 |
0.000 |
-0.103 |
-0.174 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
0.039 |
-0.103 |
0.000 |
0.017 |
0.009 |
Twist |
0.000 |
-0.016 |
-0.174 |
0.000 |
0.009 |
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 |
0.581 |
0.000 |
0.000 |
-0.019 |
0.000 |
0.000 |
Slide |
0.000 |
1.233 |
0.494 |
0.000 |
0.028 |
-0.037 |
Rise |
0.000 |
0.494 |
7.035 |
0.000 |
-0.107 |
-0.206 |
Tilt |
-0.019 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
0.028 |
-0.107 |
0.000 |
0.019 |
0.011 |
Twist |
0.000 |
-0.037 |
-0.206 |
0.000 |
0.011 |
0.020 |
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 |
0.648 |
0.000 |
0.000 |
-0.011 |
0.000 |
0.000 |
Slide |
0.000 |
1.652 |
0.849 |
0.000 |
0.008 |
-0.079 |
Rise |
0.000 |
0.849 |
6.961 |
0.000 |
-0.108 |
-0.217 |
Tilt |
-0.011 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.108 |
0.000 |
0.017 |
0.012 |
Twist |
0.000 |
-0.079 |
-0.217 |
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)