| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
3.060 |
0.608 |
0.296 |
-0.008 |
-0.001 |
0.104 |
Slide |
0.608 |
5.114 |
1.111 |
-0.022 |
-0.146 |
-0.273 |
Rise |
0.296 |
1.111 |
9.512 |
-0.289 |
-0.111 |
-0.161 |
Tilt |
-0.008 |
-0.022 |
-0.289 |
0.049 |
-0.000 |
0.009 |
Roll |
-0.001 |
-0.146 |
-0.111 |
-0.000 |
0.030 |
0.012 |
Twist |
0.104 |
-0.273 |
-0.161 |
0.009 |
0.012 |
0.065 |
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 |
3.029 |
-0.616 |
0.613 |
-0.021 |
0.004 |
0.083 |
Slide |
-0.616 |
4.746 |
1.342 |
-0.076 |
-0.149 |
-0.115 |
Rise |
0.613 |
1.342 |
8.759 |
-0.276 |
-0.160 |
-0.179 |
Tilt |
-0.021 |
-0.076 |
-0.276 |
0.045 |
0.002 |
0.008 |
Roll |
0.004 |
-0.149 |
-0.160 |
0.002 |
0.031 |
0.018 |
Twist |
0.083 |
-0.115 |
-0.179 |
0.008 |
0.018 |
0.057 |
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 |
1.718 |
0.650 |
0.909 |
-0.029 |
-0.037 |
0.046 |
Slide |
0.650 |
5.125 |
-0.162 |
-0.029 |
-0.057 |
-0.258 |
Rise |
0.909 |
-0.162 |
8.292 |
-0.130 |
0.010 |
-0.170 |
Tilt |
-0.029 |
-0.029 |
-0.130 |
0.036 |
0.001 |
0.017 |
Roll |
-0.037 |
-0.057 |
0.010 |
0.001 |
0.024 |
0.013 |
Twist |
0.046 |
-0.258 |
-0.170 |
0.017 |
0.013 |
0.069 |
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 |
1.240 |
0.187 |
-0.122 |
0.007 |
0.060 |
-0.031 |
Slide |
0.187 |
5.126 |
0.350 |
0.060 |
0.008 |
-0.306 |
Rise |
-0.122 |
0.350 |
5.064 |
0.142 |
0.093 |
-0.019 |
Tilt |
0.007 |
0.060 |
0.142 |
0.037 |
0.003 |
-0.001 |
Roll |
0.060 |
0.008 |
0.093 |
0.003 |
0.014 |
0.001 |
Twist |
-0.031 |
-0.306 |
-0.019 |
-0.001 |
0.001 |
0.036 |
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 |
1.530 |
0.113 |
-0.043 |
-0.123 |
0.014 |
0.001 |
Slide |
0.113 |
4.077 |
0.904 |
-0.015 |
-0.024 |
-0.095 |
Rise |
-0.043 |
0.904 |
8.927 |
-0.003 |
-0.080 |
-0.255 |
Tilt |
-0.123 |
-0.015 |
-0.003 |
0.034 |
0.001 |
-0.001 |
Roll |
0.014 |
-0.024 |
-0.080 |
0.001 |
0.027 |
0.011 |
Twist |
0.001 |
-0.095 |
-0.255 |
-0.001 |
0.011 |
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 |
1.533 |
0.052 |
0.051 |
-0.110 |
-0.017 |
0.001 |
Slide |
0.052 |
3.908 |
1.133 |
0.021 |
-0.035 |
-0.100 |
Rise |
0.051 |
1.133 |
7.947 |
-0.024 |
-0.074 |
-0.216 |
Tilt |
-0.110 |
0.021 |
-0.024 |
0.035 |
-0.003 |
0.000 |
Roll |
-0.017 |
-0.035 |
-0.074 |
-0.003 |
0.026 |
0.009 |
Twist |
0.001 |
-0.100 |
-0.216 |
0.000 |
0.009 |
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 |
2.374 |
0.590 |
0.575 |
-0.099 |
-0.011 |
0.040 |
Slide |
0.590 |
3.605 |
1.237 |
0.054 |
-0.082 |
-0.192 |
Rise |
0.575 |
1.238 |
10.403 |
-0.335 |
0.037 |
-0.208 |
Tilt |
-0.099 |
0.054 |
-0.335 |
0.050 |
-0.008 |
0.003 |
Roll |
-0.011 |
-0.082 |
0.037 |
-0.008 |
0.033 |
0.010 |
Twist |
0.040 |
-0.192 |
-0.208 |
0.003 |
0.010 |
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 |
1.823 |
0.344 |
0.203 |
-0.146 |
-0.015 |
-0.029 |
Slide |
0.344 |
4.562 |
2.793 |
0.015 |
0.119 |
-0.210 |
Rise |
0.203 |
2.793 |
12.798 |
-0.020 |
0.263 |
-0.268 |
Tilt |
-0.146 |
0.015 |
-0.020 |
0.047 |
-0.000 |
-0.001 |
Roll |
-0.015 |
0.119 |
0.263 |
-0.000 |
0.035 |
0.005 |
Twist |
-0.029 |
-0.210 |
-0.268 |
-0.001 |
0.005 |
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 |
1.982 |
-0.205 |
-0.112 |
-0.143 |
0.017 |
0.007 |
Slide |
-0.205 |
4.731 |
3.421 |
-0.015 |
0.109 |
-0.222 |
Rise |
-0.112 |
3.421 |
12.676 |
-0.011 |
0.244 |
-0.282 |
Tilt |
-0.143 |
-0.015 |
-0.011 |
0.046 |
0.001 |
0.001 |
Roll |
0.017 |
0.109 |
0.244 |
0.001 |
0.034 |
0.004 |
Twist |
0.007 |
-0.222 |
-0.282 |
0.001 |
0.004 |
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 |
2.564 |
-0.588 |
-0.931 |
-0.111 |
0.002 |
-0.036 |
Slide |
-0.588 |
3.615 |
0.958 |
-0.080 |
-0.088 |
-0.162 |
Rise |
-0.931 |
0.958 |
11.520 |
0.384 |
0.048 |
-0.215 |
Tilt |
-0.111 |
-0.080 |
0.384 |
0.054 |
0.009 |
-0.005 |
Roll |
0.002 |
-0.088 |
0.048 |
0.009 |
0.034 |
0.011 |
Twist |
-0.036 |
-0.162 |
-0.215 |
-0.005 |
0.011 |
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 |
3.733 |
-0.277 |
-0.621 |
-0.044 |
0.004 |
-0.079 |
Slide |
-0.277 |
6.254 |
-0.245 |
-0.030 |
-0.106 |
-0.347 |
Rise |
-0.621 |
-0.245 |
8.919 |
0.372 |
-0.077 |
-0.140 |
Tilt |
-0.044 |
-0.030 |
0.372 |
0.049 |
0.002 |
-0.007 |
Roll |
0.004 |
-0.106 |
-0.077 |
0.002 |
0.032 |
0.011 |
Twist |
-0.079 |
-0.347 |
-0.140 |
-0.007 |
0.011 |
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 |
3.339 |
0.103 |
-0.493 |
-0.016 |
0.029 |
-0.145 |
Slide |
0.103 |
4.945 |
0.979 |
-0.034 |
-0.123 |
-0.246 |
Rise |
-0.493 |
0.979 |
12.144 |
0.408 |
-0.033 |
-0.225 |
Tilt |
-0.016 |
-0.034 |
0.408 |
0.057 |
-0.001 |
-0.009 |
Roll |
0.029 |
-0.123 |
-0.033 |
-0.001 |
0.033 |
0.014 |
Twist |
-0.145 |
-0.246 |
-0.225 |
-0.009 |
0.014 |
0.062 |
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 |
2.307 |
0.697 |
0.425 |
0.037 |
0.008 |
-0.035 |
Slide |
0.697 |
2.695 |
-0.115 |
-0.051 |
0.008 |
-0.110 |
Rise |
0.425 |
-0.115 |
3.553 |
0.080 |
-0.119 |
-0.085 |
Tilt |
0.037 |
-0.051 |
0.080 |
0.024 |
-0.006 |
-0.001 |
Roll |
0.008 |
0.008 |
-0.119 |
-0.006 |
0.015 |
0.005 |
Twist |
-0.035 |
-0.110 |
-0.085 |
-0.001 |
0.005 |
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)