| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.086 |
0.000 |
0.000 |
-0.134 |
0.000 |
0.000 |
Slide |
0.000 |
2.170 |
1.675 |
0.000 |
0.014 |
-0.090 |
Rise |
0.000 |
1.675 |
6.471 |
0.000 |
-0.039 |
-0.191 |
Tilt |
-0.134 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
-0.039 |
0.000 |
0.014 |
0.004 |
Twist |
0.000 |
-0.090 |
-0.191 |
0.000 |
0.004 |
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 |
1.820 |
0.000 |
0.000 |
-0.099 |
0.000 |
0.000 |
Slide |
0.000 |
2.487 |
1.799 |
0.000 |
-0.005 |
-0.167 |
Rise |
0.000 |
1.799 |
6.953 |
0.000 |
0.001 |
-0.151 |
Tilt |
-0.099 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.005 |
0.001 |
0.000 |
0.021 |
0.006 |
Twist |
0.000 |
-0.167 |
-0.151 |
0.000 |
0.006 |
0.040 |
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 |
0.903 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
Slide |
0.000 |
1.817 |
1.765 |
0.000 |
-0.022 |
-0.105 |
Rise |
0.000 |
1.765 |
8.402 |
0.000 |
-0.013 |
-0.156 |
Tilt |
-0.098 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.022 |
-0.013 |
0.000 |
0.022 |
0.007 |
Twist |
0.000 |
-0.105 |
-0.156 |
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 |
2.069 |
0.000 |
0.000 |
-0.081 |
0.000 |
0.000 |
Slide |
0.000 |
3.180 |
1.753 |
0.000 |
-0.021 |
-0.185 |
Rise |
0.000 |
1.753 |
6.211 |
0.000 |
-0.015 |
-0.114 |
Tilt |
-0.081 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.021 |
-0.015 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.185 |
-0.114 |
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 |
0.962 |
0.000 |
0.000 |
-0.109 |
0.000 |
0.000 |
Slide |
0.000 |
1.769 |
1.950 |
0.000 |
-0.017 |
-0.118 |
Rise |
0.000 |
1.950 |
8.302 |
0.000 |
-0.008 |
-0.169 |
Tilt |
-0.109 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.017 |
-0.008 |
0.000 |
0.021 |
0.005 |
Twist |
0.000 |
-0.118 |
-0.169 |
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 |
1.808 |
0.000 |
0.000 |
-0.092 |
0.000 |
0.000 |
Slide |
0.000 |
2.281 |
1.802 |
0.000 |
-0.011 |
-0.141 |
Rise |
0.000 |
1.802 |
6.872 |
0.000 |
-0.015 |
-0.153 |
Tilt |
-0.092 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.011 |
-0.015 |
0.000 |
0.022 |
0.006 |
Twist |
0.000 |
-0.141 |
-0.153 |
0.000 |
0.006 |
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 |
1.004 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
Slide |
0.000 |
1.745 |
1.889 |
0.000 |
-0.016 |
-0.121 |
Rise |
0.000 |
1.889 |
8.333 |
0.000 |
-0.011 |
-0.153 |
Tilt |
-0.115 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.016 |
-0.011 |
0.000 |
0.022 |
0.007 |
Twist |
0.000 |
-0.121 |
-0.153 |
0.000 |
0.007 |
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 |
1.122 |
0.000 |
0.000 |
-0.044 |
0.000 |
0.000 |
Slide |
0.000 |
3.414 |
3.084 |
0.000 |
0.039 |
-0.127 |
Rise |
0.000 |
3.084 |
11.389 |
0.000 |
0.168 |
-0.171 |
Tilt |
-0.044 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.039 |
0.168 |
0.000 |
0.025 |
0.010 |
Twist |
0.000 |
-0.127 |
-0.171 |
0.000 |
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 |
1.029 |
0.000 |
0.000 |
-0.024 |
0.000 |
0.000 |
Slide |
0.000 |
3.955 |
3.412 |
0.000 |
-0.002 |
-0.090 |
Rise |
0.000 |
3.412 |
10.899 |
0.000 |
0.101 |
-0.194 |
Tilt |
-0.024 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.002 |
0.101 |
0.000 |
0.025 |
0.004 |
Twist |
0.000 |
-0.090 |
-0.194 |
0.000 |
0.004 |
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 |
0.814 |
0.000 |
0.000 |
-0.057 |
0.000 |
0.000 |
Slide |
0.000 |
3.876 |
2.486 |
0.000 |
0.046 |
-0.112 |
Rise |
0.000 |
2.486 |
10.225 |
0.000 |
0.110 |
-0.224 |
Tilt |
-0.057 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.046 |
0.110 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.112 |
-0.224 |
0.000 |
0.011 |
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 |
1.044 |
0.000 |
0.000 |
-0.037 |
0.000 |
0.000 |
Slide |
0.000 |
3.739 |
3.228 |
0.000 |
0.021 |
-0.121 |
Rise |
0.000 |
3.228 |
11.537 |
0.000 |
0.147 |
-0.202 |
Tilt |
-0.037 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
0.147 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.121 |
-0.202 |
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 |
0.657 |
0.000 |
0.000 |
-0.055 |
0.000 |
0.000 |
Slide |
0.000 |
3.379 |
0.321 |
0.000 |
0.004 |
-0.133 |
Rise |
0.000 |
0.321 |
8.832 |
0.000 |
-0.122 |
-0.242 |
Tilt |
-0.055 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
-0.122 |
0.000 |
0.019 |
0.010 |
Twist |
0.000 |
-0.133 |
-0.242 |
0.000 |
0.010 |
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 |
0.181 |
0.000 |
0.000 |
0.020 |
0.000 |
0.000 |
Slide |
0.000 |
0.760 |
-0.116 |
0.000 |
-0.010 |
-0.005 |
Rise |
0.000 |
-0.116 |
0.466 |
0.000 |
-0.006 |
-0.019 |
Tilt |
0.020 |
0.000 |
0.000 |
0.004 |
0.000 |
0.000 |
Roll |
0.000 |
-0.010 |
-0.006 |
0.000 |
0.003 |
-0.002 |
Twist |
0.000 |
-0.005 |
-0.019 |
0.000 |
-0.002 |
0.005 |
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 |
0.582 |
0.000 |
0.000 |
-0.073 |
0.000 |
0.000 |
Slide |
0.000 |
2.894 |
0.474 |
0.000 |
0.015 |
-0.101 |
Rise |
0.000 |
0.474 |
8.030 |
0.000 |
-0.099 |
-0.262 |
Tilt |
-0.073 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.015 |
-0.099 |
0.000 |
0.018 |
0.009 |
Twist |
0.000 |
-0.101 |
-0.261 |
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 |
0.652 |
0.000 |
0.000 |
-0.061 |
0.000 |
0.000 |
Slide |
0.000 |
3.097 |
0.418 |
0.000 |
-0.000 |
-0.125 |
Rise |
0.000 |
0.418 |
8.508 |
0.000 |
-0.112 |
-0.239 |
Tilt |
-0.061 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.000 |
-0.112 |
0.000 |
0.019 |
0.010 |
Twist |
0.000 |
-0.125 |
-0.239 |
0.000 |
0.010 |
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)