| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.186 |
-0.372 |
0.207 |
-0.043 |
0.003 |
0.003 |
Slide |
-0.372 |
4.153 |
3.125 |
-0.015 |
0.012 |
-0.068 |
Rise |
0.207 |
3.125 |
11.492 |
0.034 |
0.089 |
-0.201 |
Tilt |
-0.043 |
-0.015 |
0.034 |
0.042 |
0.006 |
0.004 |
Roll |
0.003 |
0.012 |
0.089 |
0.006 |
0.027 |
0.011 |
Twist |
0.003 |
-0.068 |
-0.201 |
0.004 |
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 |
1.701 |
0.617 |
0.302 |
-0.057 |
0.003 |
0.020 |
Slide |
0.617 |
3.791 |
3.211 |
-0.018 |
-0.007 |
-0.115 |
Rise |
0.302 |
3.211 |
10.661 |
0.057 |
0.071 |
-0.187 |
Tilt |
-0.057 |
-0.018 |
0.057 |
0.045 |
0.007 |
0.006 |
Roll |
0.003 |
-0.007 |
0.071 |
0.007 |
0.027 |
0.010 |
Twist |
0.020 |
-0.115 |
-0.187 |
0.006 |
0.010 |
0.042 |
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 |
0.856 |
0.113 |
0.558 |
-0.035 |
-0.013 |
0.015 |
Slide |
0.113 |
4.176 |
2.917 |
0.000 |
0.028 |
-0.083 |
Rise |
0.558 |
2.917 |
11.312 |
0.073 |
0.097 |
-0.204 |
Tilt |
-0.035 |
0.000 |
0.073 |
0.042 |
0.005 |
0.006 |
Roll |
-0.013 |
0.028 |
0.097 |
0.005 |
0.025 |
0.011 |
Twist |
0.015 |
-0.083 |
-0.204 |
0.006 |
0.011 |
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 |
2.101 |
0.181 |
-0.038 |
-0.012 |
-0.004 |
0.002 |
Slide |
0.181 |
5.173 |
3.209 |
0.024 |
-0.042 |
-0.150 |
Rise |
-0.038 |
3.209 |
10.973 |
0.004 |
0.020 |
-0.188 |
Tilt |
-0.012 |
0.024 |
0.004 |
0.049 |
-0.001 |
-0.002 |
Roll |
-0.004 |
-0.042 |
0.020 |
-0.001 |
0.033 |
0.011 |
Twist |
0.002 |
-0.150 |
-0.188 |
-0.002 |
0.011 |
0.058 |
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 |
0.873 |
0.275 |
0.137 |
-0.082 |
-0.003 |
-0.032 |
Slide |
0.275 |
2.530 |
1.298 |
-0.013 |
0.023 |
-0.095 |
Rise |
0.137 |
1.298 |
7.426 |
0.004 |
-0.078 |
-0.230 |
Tilt |
-0.082 |
-0.013 |
0.004 |
0.029 |
-0.001 |
0.002 |
Roll |
-0.003 |
0.023 |
-0.078 |
-0.001 |
0.016 |
0.007 |
Twist |
-0.032 |
-0.095 |
-0.230 |
0.002 |
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 |
1.224 |
0.382 |
0.180 |
-0.091 |
-0.021 |
-0.052 |
Slide |
0.382 |
2.434 |
1.108 |
0.015 |
0.018 |
-0.113 |
Rise |
0.180 |
1.108 |
7.051 |
0.023 |
-0.077 |
-0.190 |
Tilt |
-0.091 |
0.015 |
0.023 |
0.032 |
-0.001 |
0.001 |
Roll |
-0.021 |
0.018 |
-0.077 |
-0.001 |
0.017 |
0.008 |
Twist |
-0.052 |
-0.113 |
-0.190 |
0.001 |
0.008 |
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 |
1.184 |
0.000 |
0.058 |
-0.143 |
-0.008 |
-0.016 |
Slide |
0.000 |
2.746 |
1.215 |
-0.012 |
0.016 |
-0.102 |
Rise |
0.058 |
1.215 |
7.572 |
0.009 |
-0.071 |
-0.210 |
Tilt |
-0.143 |
-0.012 |
0.009 |
0.035 |
0.000 |
0.001 |
Roll |
-0.008 |
0.016 |
-0.071 |
0.000 |
0.015 |
0.004 |
Twist |
-0.016 |
-0.102 |
-0.210 |
0.001 |
0.004 |
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 |
1.701 |
-0.842 |
-0.343 |
-0.052 |
-0.039 |
-0.080 |
Slide |
-0.842 |
2.913 |
1.991 |
0.011 |
-0.029 |
-0.088 |
Rise |
-0.343 |
1.991 |
8.837 |
0.184 |
-0.061 |
-0.210 |
Tilt |
-0.052 |
0.011 |
0.184 |
0.047 |
-0.004 |
-0.009 |
Roll |
-0.039 |
-0.029 |
-0.061 |
-0.004 |
0.020 |
0.008 |
Twist |
-0.080 |
-0.088 |
-0.210 |
-0.009 |
0.008 |
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 |
1.619 |
0.872 |
0.964 |
-0.092 |
0.017 |
-0.042 |
Slide |
0.872 |
2.453 |
1.419 |
0.027 |
-0.032 |
-0.122 |
Rise |
0.964 |
1.419 |
10.404 |
-0.269 |
-0.031 |
-0.182 |
Tilt |
-0.092 |
0.027 |
-0.269 |
0.043 |
-0.002 |
0.001 |
Roll |
0.017 |
-0.032 |
-0.031 |
-0.002 |
0.023 |
0.010 |
Twist |
-0.042 |
-0.122 |
-0.182 |
0.001 |
0.010 |
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 |
1.117 |
0.125 |
0.469 |
-0.132 |
0.033 |
0.028 |
Slide |
0.125 |
2.196 |
1.342 |
0.009 |
-0.007 |
-0.107 |
Rise |
0.469 |
1.342 |
11.944 |
-0.358 |
-0.004 |
-0.209 |
Tilt |
-0.132 |
0.009 |
-0.358 |
0.054 |
-0.003 |
0.002 |
Roll |
0.033 |
-0.007 |
-0.004 |
-0.003 |
0.019 |
0.005 |
Twist |
0.028 |
-0.107 |
-0.209 |
0.002 |
0.005 |
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 |
1.436 |
0.269 |
0.591 |
-0.146 |
0.035 |
0.038 |
Slide |
0.269 |
1.775 |
2.065 |
-0.028 |
-0.005 |
-0.091 |
Rise |
0.591 |
2.065 |
10.003 |
-0.297 |
0.000 |
-0.212 |
Tilt |
-0.146 |
-0.028 |
-0.297 |
0.051 |
-0.005 |
-0.000 |
Roll |
0.035 |
-0.005 |
0.000 |
-0.005 |
0.022 |
0.008 |
Twist |
0.038 |
-0.091 |
-0.212 |
-0.000 |
0.008 |
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 |
1.379 |
-0.170 |
0.777 |
-0.159 |
0.036 |
0.038 |
Slide |
-0.170 |
1.692 |
2.046 |
-0.021 |
-0.001 |
-0.097 |
Rise |
0.777 |
2.046 |
9.342 |
-0.278 |
-0.035 |
-0.226 |
Tilt |
-0.159 |
-0.021 |
-0.278 |
0.051 |
-0.002 |
-0.000 |
Roll |
0.036 |
-0.001 |
-0.035 |
-0.002 |
0.019 |
0.008 |
Twist |
0.038 |
-0.097 |
-0.226 |
-0.000 |
0.008 |
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 |
0.532 |
0.291 |
-0.298 |
-0.041 |
0.007 |
0.000 |
Slide |
0.291 |
2.717 |
0.447 |
0.008 |
0.031 |
-0.124 |
Rise |
-0.298 |
0.448 |
8.699 |
0.045 |
-0.107 |
-0.221 |
Tilt |
-0.041 |
0.008 |
0.045 |
0.026 |
0.001 |
0.002 |
Roll |
0.007 |
0.031 |
-0.107 |
0.001 |
0.019 |
0.013 |
Twist |
0.000 |
-0.124 |
-0.221 |
0.002 |
0.013 |
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 |
0.874 |
0.099 |
-0.442 |
-0.065 |
0.010 |
0.023 |
Slide |
0.099 |
3.025 |
0.589 |
-0.013 |
0.033 |
-0.118 |
Rise |
-0.442 |
0.589 |
8.894 |
0.014 |
-0.128 |
-0.246 |
Tilt |
-0.065 |
-0.013 |
0.014 |
0.031 |
0.000 |
-0.001 |
Roll |
0.010 |
0.033 |
-0.128 |
0.000 |
0.021 |
0.011 |
Twist |
0.023 |
-0.118 |
-0.246 |
-0.001 |
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 |
1.988 |
-1.101 |
-0.713 |
-0.022 |
-0.000 |
-0.024 |
Slide |
-1.101 |
3.667 |
1.265 |
-0.018 |
-0.052 |
-0.172 |
Rise |
-0.713 |
1.265 |
10.857 |
0.277 |
-0.018 |
-0.157 |
Tilt |
-0.022 |
-0.018 |
0.277 |
0.050 |
-0.002 |
-0.006 |
Roll |
-0.000 |
-0.052 |
-0.018 |
-0.002 |
0.022 |
0.010 |
Twist |
-0.024 |
-0.172 |
-0.157 |
-0.006 |
0.010 |
0.049 |
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)