| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.557 |
0.000 |
0.000 |
-0.025 |
0.000 |
0.000 |
Slide |
0.000 |
2.800 |
1.467 |
0.000 |
-0.090 |
-0.130 |
Rise |
0.000 |
1.467 |
6.978 |
0.000 |
-0.066 |
-0.162 |
Tilt |
-0.025 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.090 |
-0.066 |
0.000 |
0.027 |
0.011 |
Twist |
0.000 |
-0.130 |
-0.162 |
0.000 |
0.011 |
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 |
1.614 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
2.988 |
1.386 |
0.000 |
-0.060 |
-0.190 |
Rise |
0.000 |
1.386 |
6.991 |
0.000 |
-0.058 |
-0.158 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.060 |
-0.058 |
0.000 |
0.023 |
0.008 |
Twist |
0.000 |
-0.190 |
-0.158 |
0.000 |
0.008 |
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 |
2.082 |
0.000 |
0.000 |
-0.042 |
0.000 |
0.000 |
Slide |
0.000 |
3.351 |
1.603 |
0.000 |
-0.053 |
-0.207 |
Rise |
0.000 |
1.603 |
7.124 |
0.000 |
-0.044 |
-0.158 |
Tilt |
-0.042 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
-0.044 |
0.000 |
0.023 |
0.004 |
Twist |
0.000 |
-0.207 |
-0.158 |
0.000 |
0.004 |
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 |
2.121 |
0.000 |
0.000 |
-0.047 |
0.000 |
0.000 |
Slide |
0.000 |
3.420 |
1.347 |
0.000 |
-0.044 |
-0.216 |
Rise |
0.000 |
1.347 |
7.429 |
0.000 |
-0.039 |
-0.150 |
Tilt |
-0.047 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.044 |
-0.039 |
0.000 |
0.026 |
0.007 |
Twist |
0.000 |
-0.216 |
-0.150 |
0.000 |
0.007 |
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 |
1.967 |
0.000 |
0.000 |
-0.073 |
0.000 |
0.000 |
Slide |
0.000 |
3.522 |
1.257 |
0.000 |
-0.022 |
-0.268 |
Rise |
0.000 |
1.257 |
8.001 |
0.000 |
-0.028 |
-0.116 |
Tilt |
-0.073 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.022 |
-0.028 |
0.000 |
0.024 |
0.004 |
Twist |
0.000 |
-0.268 |
-0.116 |
0.000 |
0.004 |
0.050 |
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 |
0.935 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
2.633 |
1.234 |
0.000 |
-0.086 |
-0.198 |
Rise |
0.000 |
1.234 |
7.754 |
0.000 |
-0.018 |
-0.161 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.086 |
-0.018 |
0.000 |
0.023 |
0.011 |
Twist |
0.000 |
-0.198 |
-0.161 |
0.000 |
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 |
1.543 |
0.000 |
0.000 |
-0.052 |
0.000 |
0.000 |
Slide |
0.000 |
2.785 |
1.569 |
0.000 |
-0.057 |
-0.159 |
Rise |
0.000 |
1.569 |
7.097 |
0.000 |
-0.060 |
-0.172 |
Tilt |
-0.052 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.057 |
-0.060 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.159 |
-0.172 |
0.000 |
0.008 |
0.033 |
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 |
1.651 |
0.000 |
0.000 |
-0.066 |
0.000 |
0.000 |
Slide |
0.000 |
2.728 |
1.494 |
0.000 |
-0.079 |
-0.183 |
Rise |
0.000 |
1.494 |
7.521 |
0.000 |
-0.061 |
-0.173 |
Tilt |
-0.066 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.079 |
-0.061 |
0.000 |
0.025 |
0.009 |
Twist |
0.000 |
-0.183 |
-0.173 |
0.000 |
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 |
1.915 |
0.000 |
0.000 |
-0.062 |
0.000 |
0.000 |
Slide |
0.000 |
3.224 |
1.586 |
0.000 |
-0.062 |
-0.222 |
Rise |
0.000 |
1.586 |
7.537 |
0.000 |
-0.045 |
-0.171 |
Tilt |
-0.062 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.062 |
-0.045 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.222 |
-0.171 |
0.000 |
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 |
2.042 |
0.000 |
0.000 |
-0.055 |
0.000 |
0.000 |
Slide |
0.000 |
3.524 |
1.414 |
0.000 |
-0.052 |
-0.235 |
Rise |
0.000 |
1.414 |
7.563 |
0.000 |
-0.030 |
-0.158 |
Tilt |
-0.055 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.052 |
-0.030 |
0.000 |
0.028 |
0.008 |
Twist |
0.000 |
-0.235 |
-0.158 |
0.000 |
0.008 |
0.041 |
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 |
2.050 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
3.978 |
1.400 |
0.000 |
-0.029 |
-0.316 |
Rise |
0.000 |
1.400 |
7.602 |
0.000 |
-0.023 |
-0.133 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.029 |
-0.023 |
0.000 |
0.025 |
0.006 |
Twist |
0.000 |
-0.316 |
-0.133 |
0.000 |
0.006 |
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 |
0.818 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
2.460 |
1.868 |
0.000 |
-0.054 |
-0.141 |
Rise |
0.000 |
1.868 |
8.812 |
0.000 |
-0.034 |
-0.192 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.034 |
0.000 |
0.020 |
0.005 |
Twist |
0.000 |
-0.141 |
-0.192 |
0.000 |
0.005 |
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 |
0.796 |
0.000 |
0.000 |
-0.081 |
0.000 |
0.000 |
Slide |
0.000 |
2.417 |
1.782 |
0.000 |
-0.065 |
-0.148 |
Rise |
0.000 |
1.782 |
8.896 |
0.000 |
0.007 |
-0.171 |
Tilt |
-0.081 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.065 |
0.007 |
0.000 |
0.019 |
0.003 |
Twist |
0.000 |
-0.148 |
-0.171 |
0.000 |
0.003 |
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 |
1.001 |
0.000 |
0.000 |
-0.105 |
0.000 |
0.000 |
Slide |
0.000 |
2.200 |
1.752 |
0.000 |
-0.061 |
-0.151 |
Rise |
0.000 |
1.752 |
7.764 |
0.000 |
-0.017 |
-0.190 |
Tilt |
-0.105 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.061 |
-0.017 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.151 |
-0.190 |
0.000 |
0.007 |
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 |
1.598 |
0.000 |
0.000 |
0.013 |
0.000 |
0.000 |
Slide |
0.000 |
4.714 |
3.171 |
0.000 |
-0.020 |
-0.106 |
Rise |
0.000 |
3.171 |
11.600 |
0.000 |
0.085 |
-0.131 |
Tilt |
0.013 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.020 |
0.085 |
0.000 |
0.030 |
0.009 |
Twist |
0.000 |
-0.106 |
-0.131 |
0.000 |
0.009 |
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 |
1.765 |
0.000 |
0.000 |
0.002 |
0.000 |
0.000 |
Slide |
0.000 |
4.629 |
3.195 |
0.000 |
-0.019 |
-0.150 |
Rise |
0.000 |
3.195 |
11.858 |
0.000 |
0.117 |
-0.135 |
Tilt |
0.002 |
0.000 |
0.000 |
0.048 |
0.000 |
0.000 |
Roll |
0.000 |
-0.019 |
0.117 |
0.000 |
0.030 |
0.012 |
Twist |
0.000 |
-0.150 |
-0.135 |
0.000 |
0.012 |
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 |
1.333 |
0.000 |
0.000 |
0.005 |
0.000 |
0.000 |
Slide |
0.000 |
4.901 |
3.328 |
0.000 |
-0.060 |
-0.087 |
Rise |
0.000 |
3.328 |
11.678 |
0.000 |
0.082 |
-0.152 |
Tilt |
0.005 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.060 |
0.082 |
0.000 |
0.028 |
0.013 |
Twist |
0.000 |
-0.087 |
-0.152 |
0.000 |
0.013 |
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 |
0.713 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
2.641 |
0.786 |
0.000 |
0.002 |
-0.102 |
Rise |
0.000 |
0.785 |
8.062 |
0.000 |
-0.161 |
-0.246 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.002 |
-0.161 |
0.000 |
0.019 |
0.011 |
Twist |
0.000 |
-0.102 |
-0.246 |
0.000 |
0.011 |
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 |
0.578 |
0.000 |
0.000 |
-0.078 |
0.000 |
0.000 |
Slide |
0.000 |
2.529 |
0.794 |
0.000 |
0.020 |
-0.090 |
Rise |
0.000 |
0.794 |
7.458 |
0.000 |
-0.056 |
-0.201 |
Tilt |
-0.078 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.020 |
-0.056 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.090 |
-0.201 |
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 |
0.760 |
0.000 |
0.000 |
-0.071 |
0.000 |
0.000 |
Slide |
0.000 |
2.500 |
0.971 |
0.000 |
0.013 |
-0.103 |
Rise |
0.000 |
0.971 |
7.283 |
0.000 |
-0.071 |
-0.222 |
Tilt |
-0.071 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.071 |
0.000 |
0.018 |
0.009 |
Twist |
0.000 |
-0.103 |
-0.222 |
0.000 |
0.009 |
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 |
1.064 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
1.887 |
1.861 |
0.000 |
-0.018 |
-0.143 |
Rise |
0.000 |
1.861 |
8.416 |
0.000 |
-0.014 |
-0.180 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.018 |
-0.014 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.143 |
-0.180 |
0.000 |
0.008 |
0.038 |
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 |
0.967 |
0.000 |
0.000 |
-0.102 |
0.000 |
0.000 |
Slide |
0.000 |
1.444 |
1.610 |
0.000 |
-0.015 |
-0.085 |
Rise |
0.000 |
1.610 |
8.294 |
0.000 |
-0.028 |
-0.197 |
Tilt |
-0.102 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.015 |
-0.028 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.085 |
-0.197 |
0.000 |
0.008 |
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 |
1.257 |
0.000 |
0.000 |
-0.116 |
0.000 |
0.000 |
Slide |
0.000 |
1.405 |
1.728 |
0.000 |
-0.033 |
-0.095 |
Rise |
0.000 |
1.728 |
8.048 |
0.000 |
-0.031 |
-0.184 |
Tilt |
-0.116 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.033 |
-0.031 |
0.000 |
0.021 |
0.007 |
Twist |
0.000 |
-0.095 |
-0.184 |
0.000 |
0.007 |
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 |
1.141 |
0.000 |
0.000 |
-0.096 |
0.000 |
0.000 |
Slide |
0.000 |
1.681 |
1.870 |
0.000 |
0.005 |
-0.098 |
Rise |
0.000 |
1.870 |
7.682 |
0.000 |
-0.013 |
-0.187 |
Tilt |
-0.096 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
0.005 |
-0.013 |
0.000 |
0.019 |
0.005 |
Twist |
0.000 |
-0.098 |
-0.187 |
0.000 |
0.005 |
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 |
0.834 |
0.000 |
0.000 |
-0.118 |
0.000 |
0.000 |
Slide |
0.000 |
1.854 |
1.753 |
0.000 |
-0.032 |
-0.113 |
Rise |
0.000 |
1.753 |
8.751 |
0.000 |
0.014 |
-0.174 |
Tilt |
-0.118 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.032 |
0.014 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.113 |
-0.174 |
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 |
1.018 |
0.000 |
0.000 |
-0.141 |
0.000 |
0.000 |
Slide |
0.000 |
1.707 |
1.933 |
0.000 |
-0.034 |
-0.101 |
Rise |
0.000 |
1.933 |
9.207 |
0.000 |
-0.027 |
-0.190 |
Tilt |
-0.141 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.034 |
-0.027 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.101 |
-0.190 |
0.000 |
0.008 |
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 |
0.977 |
0.000 |
0.000 |
-0.100 |
0.000 |
0.000 |
Slide |
0.000 |
3.297 |
0.179 |
0.000 |
0.001 |
-0.146 |
Rise |
0.000 |
0.179 |
8.686 |
0.000 |
-0.111 |
-0.267 |
Tilt |
-0.100 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.111 |
0.000 |
0.019 |
0.009 |
Twist |
0.000 |
-0.146 |
-0.267 |
0.000 |
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 |
1.101 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
2.893 |
0.515 |
0.000 |
0.011 |
-0.109 |
Rise |
0.000 |
0.515 |
8.306 |
0.000 |
-0.079 |
-0.266 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
-0.079 |
0.000 |
0.019 |
0.007 |
Twist |
0.000 |
-0.109 |
-0.266 |
0.000 |
0.007 |
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 |
1.095 |
0.000 |
0.000 |
-0.118 |
0.000 |
0.000 |
Slide |
0.000 |
2.334 |
0.912 |
0.000 |
0.018 |
-0.075 |
Rise |
0.000 |
0.912 |
7.276 |
0.000 |
-0.044 |
-0.212 |
Tilt |
-0.118 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.018 |
-0.044 |
0.000 |
0.017 |
0.005 |
Twist |
0.000 |
-0.075 |
-0.212 |
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 |
1.179 |
0.000 |
0.000 |
-0.130 |
0.000 |
0.000 |
Slide |
0.000 |
2.827 |
0.771 |
0.000 |
0.013 |
-0.104 |
Rise |
0.000 |
0.771 |
8.214 |
0.000 |
-0.069 |
-0.250 |
Tilt |
-0.130 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.069 |
0.000 |
0.017 |
0.006 |
Twist |
0.000 |
-0.104 |
-0.251 |
0.000 |
0.006 |
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 |
0.889 |
0.000 |
0.000 |
-0.106 |
0.000 |
0.000 |
Slide |
0.000 |
2.751 |
0.609 |
0.000 |
0.004 |
-0.132 |
Rise |
0.000 |
0.609 |
8.532 |
0.000 |
-0.085 |
-0.281 |
Tilt |
-0.106 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
-0.085 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.132 |
-0.281 |
0.000 |
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 |
1.007 |
0.000 |
0.000 |
-0.129 |
0.000 |
0.000 |
Slide |
0.000 |
2.912 |
0.570 |
0.000 |
0.007 |
-0.140 |
Rise |
0.000 |
0.570 |
9.184 |
0.000 |
-0.095 |
-0.290 |
Tilt |
-0.129 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.007 |
-0.095 |
0.000 |
0.019 |
0.008 |
Twist |
0.000 |
-0.140 |
-0.290 |
0.000 |
0.008 |
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 |
1.085 |
0.000 |
0.000 |
-0.131 |
0.000 |
0.000 |
Slide |
0.000 |
2.650 |
0.980 |
0.000 |
0.013 |
-0.108 |
Rise |
0.000 |
0.980 |
7.390 |
0.000 |
-0.048 |
-0.215 |
Tilt |
-0.131 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.048 |
0.000 |
0.016 |
0.005 |
Twist |
0.000 |
-0.108 |
-0.215 |
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 |
1.334 |
0.000 |
0.000 |
-0.065 |
0.000 |
0.000 |
Slide |
0.000 |
2.790 |
1.942 |
0.000 |
-0.094 |
-0.111 |
Rise |
0.000 |
1.942 |
7.759 |
0.000 |
-0.043 |
-0.177 |
Tilt |
-0.065 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.094 |
-0.043 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.111 |
-0.177 |
0.000 |
0.007 |
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 |
0.736 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
2.378 |
1.397 |
0.000 |
-0.065 |
-0.120 |
Rise |
0.000 |
1.397 |
8.027 |
0.000 |
-0.064 |
-0.174 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.065 |
-0.064 |
0.000 |
0.024 |
0.012 |
Twist |
0.000 |
-0.120 |
-0.174 |
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 |
2.275 |
0.000 |
0.000 |
-0.123 |
0.000 |
0.000 |
Slide |
0.000 |
3.275 |
2.966 |
0.000 |
0.015 |
-0.126 |
Rise |
0.000 |
2.966 |
11.727 |
0.000 |
0.114 |
-0.206 |
Tilt |
-0.123 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.015 |
0.114 |
0.000 |
0.031 |
0.007 |
Twist |
0.000 |
-0.126 |
-0.206 |
0.000 |
0.007 |
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 |
1.094 |
0.000 |
0.000 |
-0.123 |
0.000 |
0.000 |
Slide |
0.000 |
2.937 |
2.386 |
0.000 |
0.050 |
-0.064 |
Rise |
0.000 |
2.386 |
10.947 |
0.000 |
0.121 |
-0.207 |
Tilt |
-0.123 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.050 |
0.121 |
0.000 |
0.023 |
0.003 |
Twist |
0.000 |
-0.064 |
-0.207 |
0.000 |
0.003 |
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 |
1.372 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
Slide |
0.000 |
2.782 |
2.553 |
0.000 |
0.035 |
-0.071 |
Rise |
0.000 |
2.553 |
11.665 |
0.000 |
0.121 |
-0.222 |
Tilt |
-0.098 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.035 |
0.121 |
0.000 |
0.026 |
0.004 |
Twist |
0.000 |
-0.071 |
-0.222 |
0.000 |
0.004 |
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 |
1.049 |
0.000 |
0.000 |
-0.126 |
0.000 |
0.000 |
Slide |
0.000 |
3.471 |
2.399 |
0.000 |
0.075 |
-0.123 |
Rise |
0.000 |
2.399 |
11.105 |
0.000 |
0.148 |
-0.256 |
Tilt |
-0.126 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.075 |
0.148 |
0.000 |
0.025 |
0.005 |
Twist |
0.000 |
-0.123 |
-0.256 |
0.000 |
0.005 |
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 |
1.052 |
0.000 |
0.000 |
-0.123 |
0.000 |
0.000 |
Slide |
0.000 |
2.922 |
2.101 |
0.000 |
0.058 |
-0.081 |
Rise |
0.000 |
2.101 |
11.036 |
0.000 |
0.134 |
-0.247 |
Tilt |
-0.123 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.058 |
0.134 |
0.000 |
0.024 |
0.005 |
Twist |
0.000 |
-0.081 |
-0.247 |
0.000 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.476 |
0.000 |
0.000 |
-0.139 |
0.000 |
0.000 |
Slide |
0.000 |
2.476 |
2.427 |
0.000 |
0.052 |
-0.088 |
Rise |
0.000 |
2.427 |
11.105 |
0.000 |
0.117 |
-0.241 |
Tilt |
-0.139 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
0.052 |
0.117 |
0.000 |
0.026 |
0.007 |
Twist |
0.000 |
-0.088 |
-0.241 |
0.000 |
0.007 |
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 |
1.122 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
3.243 |
3.044 |
0.000 |
0.028 |
-0.083 |
Rise |
0.000 |
3.044 |
11.773 |
0.000 |
0.142 |
-0.220 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.028 |
0.142 |
0.000 |
0.025 |
0.005 |
Twist |
0.000 |
-0.083 |
-0.220 |
0.000 |
0.005 |
0.033 |
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 |
1.266 |
0.000 |
0.000 |
-0.151 |
0.000 |
0.000 |
Slide |
0.000 |
2.789 |
3.023 |
0.000 |
0.021 |
-0.064 |
Rise |
0.000 |
3.023 |
11.611 |
0.000 |
0.107 |
-0.203 |
Tilt |
-0.151 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
0.107 |
0.000 |
0.027 |
0.007 |
Twist |
0.000 |
-0.064 |
-0.203 |
0.000 |
0.007 |
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 |
1.165 |
0.000 |
0.000 |
-0.143 |
0.000 |
0.000 |
Slide |
0.000 |
3.167 |
2.413 |
0.000 |
0.069 |
-0.095 |
Rise |
0.000 |
2.413 |
11.360 |
0.000 |
0.138 |
-0.253 |
Tilt |
-0.143 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.069 |
0.138 |
0.000 |
0.027 |
0.007 |
Twist |
0.000 |
-0.095 |
-0.253 |
0.000 |
0.007 |
0.041 |
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 |
1.141 |
0.000 |
0.000 |
-0.129 |
0.000 |
0.000 |
Slide |
0.000 |
2.755 |
2.432 |
0.000 |
0.029 |
-0.038 |
Rise |
0.000 |
2.433 |
11.382 |
0.000 |
0.112 |
-0.194 |
Tilt |
-0.129 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.029 |
0.112 |
0.000 |
0.024 |
0.006 |
Twist |
0.000 |
-0.038 |
-0.194 |
0.000 |
0.006 |
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 |
1.584 |
0.000 |
0.000 |
-0.069 |
0.000 |
0.000 |
Slide |
0.000 |
2.097 |
1.983 |
0.000 |
-0.037 |
-0.124 |
Rise |
0.000 |
1.983 |
7.654 |
0.000 |
-0.017 |
-0.175 |
Tilt |
-0.069 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.037 |
-0.017 |
0.000 |
0.023 |
0.008 |
Twist |
0.000 |
-0.124 |
-0.175 |
0.000 |
0.008 |
0.033 |
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 |
1.022 |
0.000 |
0.000 |
-0.130 |
0.000 |
0.000 |
Slide |
0.000 |
1.603 |
1.842 |
0.000 |
-0.034 |
-0.092 |
Rise |
0.000 |
1.842 |
8.827 |
0.000 |
-0.025 |
-0.195 |
Tilt |
-0.130 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.034 |
-0.025 |
0.000 |
0.020 |
0.008 |
Twist |
0.000 |
-0.092 |
-0.195 |
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 |
0.878 |
0.000 |
0.000 |
-0.047 |
0.000 |
0.000 |
Slide |
0.000 |
3.359 |
2.589 |
0.000 |
0.029 |
-0.123 |
Rise |
0.000 |
2.589 |
10.836 |
0.000 |
0.091 |
-0.194 |
Tilt |
-0.047 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.029 |
0.091 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.123 |
-0.194 |
0.000 |
0.009 |
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 |
0.388 |
0.000 |
0.000 |
-0.042 |
0.000 |
0.000 |
Slide |
0.000 |
2.506 |
0.891 |
0.000 |
0.013 |
-0.143 |
Rise |
0.000 |
0.891 |
7.984 |
0.000 |
-0.089 |
-0.224 |
Tilt |
-0.042 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.089 |
0.000 |
0.018 |
0.013 |
Twist |
0.000 |
-0.143 |
-0.224 |
0.000 |
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 |
0.390 |
0.000 |
0.000 |
-0.047 |
0.000 |
0.000 |
Slide |
0.000 |
2.310 |
1.194 |
0.000 |
0.013 |
-0.126 |
Rise |
0.000 |
1.194 |
8.504 |
0.000 |
-0.089 |
-0.241 |
Tilt |
-0.047 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.089 |
0.000 |
0.017 |
0.012 |
Twist |
0.000 |
-0.126 |
-0.241 |
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 |
0.784 |
0.000 |
0.000 |
-0.097 |
0.000 |
0.000 |
Slide |
0.000 |
2.585 |
1.149 |
0.000 |
-0.042 |
-0.141 |
Rise |
0.000 |
1.149 |
8.756 |
0.000 |
-0.033 |
-0.163 |
Tilt |
-0.097 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.042 |
-0.033 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.141 |
-0.163 |
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 |
0.613 |
0.000 |
0.000 |
-0.075 |
0.000 |
0.000 |
Slide |
0.000 |
2.570 |
0.961 |
0.000 |
0.016 |
-0.086 |
Rise |
0.000 |
0.961 |
7.055 |
0.000 |
-0.046 |
-0.205 |
Tilt |
-0.075 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.016 |
-0.046 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.086 |
-0.205 |
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 |
0.690 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
2.356 |
1.302 |
0.000 |
0.007 |
-0.093 |
Rise |
0.000 |
1.302 |
6.567 |
0.000 |
-0.057 |
-0.193 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.007 |
-0.057 |
0.000 |
0.015 |
0.008 |
Twist |
0.000 |
-0.093 |
-0.193 |
0.000 |
0.008 |
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)