| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.122 |
1.189 |
0.586 |
-0.034 |
0.016 |
0.006 |
Slide |
1.189 |
3.563 |
1.527 |
0.001 |
-0.050 |
-0.165 |
Rise |
0.586 |
1.527 |
10.344 |
-0.268 |
-0.064 |
-0.221 |
Tilt |
-0.034 |
0.001 |
-0.268 |
0.049 |
0.002 |
0.009 |
Roll |
0.016 |
-0.050 |
-0.064 |
0.002 |
0.022 |
0.011 |
Twist |
0.006 |
-0.165 |
-0.221 |
0.009 |
0.011 |
0.047 |
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 |
1.796 |
1.052 |
0.466 |
-0.037 |
-0.010 |
0.034 |
Slide |
1.052 |
3.449 |
0.973 |
-0.012 |
-0.070 |
-0.131 |
Rise |
0.466 |
0.973 |
11.274 |
-0.286 |
-0.013 |
-0.210 |
Tilt |
-0.037 |
-0.012 |
-0.286 |
0.050 |
0.001 |
0.008 |
Roll |
-0.010 |
-0.070 |
-0.013 |
0.001 |
0.024 |
0.009 |
Twist |
0.034 |
-0.131 |
-0.210 |
0.008 |
0.009 |
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 |
1.135 |
0.628 |
0.494 |
-0.038 |
-0.010 |
0.041 |
Slide |
0.628 |
4.142 |
3.071 |
-0.000 |
0.004 |
-0.081 |
Rise |
0.494 |
3.071 |
10.625 |
0.046 |
0.077 |
-0.179 |
Tilt |
-0.038 |
-0.000 |
0.046 |
0.044 |
0.005 |
0.005 |
Roll |
-0.010 |
0.004 |
0.077 |
0.005 |
0.025 |
0.009 |
Twist |
0.041 |
-0.081 |
-0.179 |
0.005 |
0.009 |
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 |
1.315 |
0.515 |
0.477 |
-0.056 |
0.022 |
0.051 |
Slide |
0.515 |
2.542 |
1.764 |
-0.017 |
-0.045 |
-0.108 |
Rise |
0.477 |
1.764 |
11.097 |
-0.282 |
-0.020 |
-0.241 |
Tilt |
-0.056 |
-0.017 |
-0.282 |
0.050 |
-0.000 |
0.009 |
Roll |
0.022 |
-0.045 |
-0.020 |
-0.000 |
0.022 |
0.007 |
Twist |
0.051 |
-0.108 |
-0.241 |
0.009 |
0.007 |
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 |
1.548 |
0.331 |
0.342 |
-0.067 |
0.031 |
0.039 |
Slide |
0.331 |
2.430 |
1.751 |
-0.003 |
-0.061 |
-0.096 |
Rise |
0.342 |
1.751 |
8.215 |
-0.192 |
-0.046 |
-0.218 |
Tilt |
-0.067 |
-0.003 |
-0.192 |
0.045 |
0.002 |
0.008 |
Roll |
0.031 |
-0.061 |
-0.046 |
0.002 |
0.023 |
0.006 |
Twist |
0.039 |
-0.096 |
-0.218 |
0.008 |
0.006 |
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 |
2.168 |
0.408 |
0.514 |
-0.065 |
0.034 |
0.087 |
Slide |
0.408 |
3.343 |
1.687 |
0.002 |
-0.056 |
-0.189 |
Rise |
0.514 |
1.687 |
7.748 |
-0.161 |
-0.051 |
-0.149 |
Tilt |
-0.065 |
0.002 |
-0.161 |
0.043 |
0.004 |
0.005 |
Roll |
0.034 |
-0.056 |
-0.051 |
0.004 |
0.026 |
0.006 |
Twist |
0.087 |
-0.189 |
-0.149 |
0.005 |
0.006 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.665 |
-0.454 |
0.069 |
0.016 |
0.015 |
0.013 |
Slide |
-0.454 |
4.941 |
2.690 |
-0.026 |
-0.053 |
-0.130 |
Rise |
0.069 |
2.690 |
11.415 |
-0.036 |
0.038 |
-0.155 |
Tilt |
0.016 |
-0.026 |
-0.036 |
0.047 |
0.002 |
0.001 |
Roll |
0.015 |
-0.053 |
0.038 |
0.002 |
0.029 |
0.013 |
Twist |
0.013 |
-0.130 |
-0.155 |
0.001 |
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 |
0.719 |
-0.014 |
0.333 |
-0.071 |
0.002 |
-0.009 |
Slide |
-0.014 |
2.875 |
0.465 |
0.002 |
0.024 |
-0.124 |
Rise |
0.333 |
0.465 |
8.784 |
0.027 |
-0.109 |
-0.234 |
Tilt |
-0.071 |
0.002 |
0.027 |
0.029 |
-0.000 |
0.001 |
Roll |
0.002 |
0.024 |
-0.109 |
-0.000 |
0.018 |
0.009 |
Twist |
-0.009 |
-0.124 |
-0.234 |
0.001 |
0.009 |
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 |
0.962 |
-0.212 |
0.352 |
-0.068 |
-0.007 |
-0.021 |
Slide |
-0.212 |
2.560 |
0.765 |
-0.000 |
0.021 |
-0.099 |
Rise |
0.352 |
0.765 |
7.336 |
-0.011 |
-0.115 |
-0.222 |
Tilt |
-0.068 |
-0.000 |
-0.011 |
0.030 |
-0.001 |
0.001 |
Roll |
-0.007 |
0.021 |
-0.115 |
-0.001 |
0.020 |
0.011 |
Twist |
-0.021 |
-0.099 |
-0.222 |
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 |
1.219 |
-0.422 |
-0.377 |
-0.108 |
-0.039 |
-0.029 |
Slide |
-0.422 |
1.612 |
1.525 |
-0.015 |
0.001 |
-0.067 |
Rise |
-0.377 |
1.525 |
9.997 |
0.309 |
-0.007 |
-0.146 |
Tilt |
-0.108 |
-0.015 |
0.309 |
0.050 |
0.003 |
0.001 |
Roll |
-0.039 |
0.001 |
-0.007 |
0.003 |
0.020 |
0.006 |
Twist |
-0.029 |
-0.067 |
-0.146 |
0.001 |
0.006 |
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 |
1.251 |
0.602 |
1.132 |
-0.128 |
0.012 |
-0.019 |
Slide |
0.602 |
2.333 |
1.380 |
-0.015 |
-0.018 |
-0.110 |
Rise |
1.132 |
1.380 |
10.430 |
-0.321 |
-0.005 |
-0.181 |
Tilt |
-0.128 |
-0.015 |
-0.321 |
0.046 |
-0.003 |
0.002 |
Roll |
0.012 |
-0.018 |
-0.005 |
-0.003 |
0.023 |
0.009 |
Twist |
-0.019 |
-0.110 |
-0.180 |
0.002 |
0.009 |
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 |
1.332 |
-0.073 |
0.893 |
-0.167 |
0.049 |
0.055 |
Slide |
-0.073 |
1.610 |
1.931 |
-0.023 |
0.006 |
-0.084 |
Rise |
0.894 |
1.931 |
9.997 |
-0.320 |
-0.017 |
-0.186 |
Tilt |
-0.167 |
-0.023 |
-0.320 |
0.052 |
-0.004 |
0.001 |
Roll |
0.049 |
0.006 |
-0.017 |
-0.004 |
0.019 |
0.008 |
Twist |
0.055 |
-0.084 |
-0.186 |
0.001 |
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 |
1.235 |
-0.484 |
-0.181 |
-0.043 |
0.003 |
-0.058 |
Slide |
-0.484 |
4.321 |
3.201 |
-0.003 |
0.033 |
-0.102 |
Rise |
-0.181 |
3.201 |
11.426 |
-0.007 |
0.110 |
-0.216 |
Tilt |
-0.043 |
-0.003 |
-0.007 |
0.046 |
-0.005 |
-0.003 |
Roll |
0.003 |
0.033 |
0.110 |
-0.005 |
0.025 |
0.005 |
Twist |
-0.058 |
-0.102 |
-0.216 |
-0.003 |
0.005 |
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 |
0.546 |
-0.265 |
0.282 |
-0.051 |
0.013 |
0.009 |
Slide |
-0.265 |
2.553 |
1.233 |
-0.016 |
0.017 |
-0.132 |
Rise |
0.282 |
1.233 |
7.914 |
-0.051 |
-0.091 |
-0.221 |
Tilt |
-0.051 |
-0.016 |
-0.051 |
0.029 |
-0.000 |
0.000 |
Roll |
0.013 |
0.017 |
-0.091 |
-0.000 |
0.018 |
0.011 |
Twist |
0.009 |
-0.132 |
-0.221 |
0.000 |
0.011 |
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 |
0.423 |
0.067 |
-0.069 |
-0.044 |
-0.004 |
-0.001 |
Slide |
0.067 |
3.015 |
0.812 |
0.012 |
0.019 |
-0.176 |
Rise |
-0.069 |
0.812 |
8.376 |
0.018 |
-0.100 |
-0.219 |
Tilt |
-0.044 |
0.012 |
0.018 |
0.027 |
0.000 |
0.000 |
Roll |
-0.004 |
0.019 |
-0.100 |
0.000 |
0.019 |
0.012 |
Twist |
-0.001 |
-0.176 |
-0.219 |
0.000 |
0.012 |
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)