| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.211 |
0.000 |
0.000 |
-0.024 |
0.000 |
0.000 |
Slide |
0.000 |
2.797 |
0.776 |
0.000 |
-0.100 |
-0.122 |
Rise |
0.000 |
0.776 |
8.851 |
0.000 |
-0.044 |
-0.169 |
Tilt |
-0.024 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.100 |
-0.044 |
0.000 |
0.025 |
0.011 |
Twist |
0.000 |
-0.122 |
-0.169 |
0.000 |
0.011 |
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 |
1.010 |
0.000 |
0.000 |
-0.048 |
0.000 |
0.000 |
Slide |
0.000 |
3.659 |
2.761 |
0.000 |
0.027 |
-0.099 |
Rise |
0.000 |
2.761 |
9.514 |
0.000 |
0.146 |
-0.124 |
Tilt |
-0.048 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.027 |
0.146 |
0.000 |
0.021 |
0.001 |
Twist |
0.000 |
-0.099 |
-0.124 |
0.000 |
0.001 |
0.017 |
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 |
1.443 |
0.000 |
0.000 |
-0.134 |
0.000 |
0.000 |
Slide |
0.000 |
2.757 |
1.602 |
0.000 |
-0.055 |
-0.151 |
Rise |
0.000 |
1.602 |
8.223 |
0.000 |
-0.042 |
-0.156 |
Tilt |
-0.134 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.055 |
-0.042 |
0.000 |
0.024 |
0.003 |
Twist |
0.000 |
-0.151 |
-0.156 |
0.000 |
0.003 |
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 |
1.239 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
Slide |
0.000 |
1.462 |
1.775 |
0.000 |
0.002 |
-0.083 |
Rise |
0.000 |
1.775 |
7.626 |
0.000 |
-0.032 |
-0.192 |
Tilt |
-0.112 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.002 |
-0.032 |
0.000 |
0.020 |
0.005 |
Twist |
0.000 |
-0.083 |
-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 |
1.255 |
0.000 |
0.000 |
-0.108 |
0.000 |
0.000 |
Slide |
0.000 |
1.519 |
1.780 |
0.000 |
0.001 |
-0.086 |
Rise |
0.000 |
1.780 |
8.083 |
0.000 |
-0.029 |
-0.188 |
Tilt |
-0.108 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.029 |
0.000 |
0.021 |
0.004 |
Twist |
0.000 |
-0.086 |
-0.188 |
0.000 |
0.004 |
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 |
1.374 |
0.000 |
0.000 |
-0.102 |
0.000 |
0.000 |
Slide |
0.000 |
2.743 |
1.756 |
0.000 |
-0.053 |
-0.125 |
Rise |
0.000 |
1.756 |
7.850 |
0.000 |
-0.065 |
-0.173 |
Tilt |
-0.102 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
-0.065 |
0.000 |
0.023 |
0.005 |
Twist |
0.000 |
-0.125 |
-0.173 |
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 |
1.154 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
Slide |
0.000 |
2.083 |
1.645 |
0.000 |
-0.055 |
-0.068 |
Rise |
0.000 |
1.645 |
7.973 |
0.000 |
-0.047 |
-0.176 |
Tilt |
-0.063 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.055 |
-0.047 |
0.000 |
0.021 |
0.004 |
Twist |
0.000 |
-0.068 |
-0.176 |
0.000 |
0.004 |
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 |
0.773 |
0.000 |
0.000 |
-0.080 |
0.000 |
0.000 |
Slide |
0.000 |
2.496 |
1.291 |
0.000 |
-0.054 |
-0.132 |
Rise |
0.000 |
1.291 |
8.633 |
0.000 |
-0.037 |
-0.158 |
Tilt |
-0.080 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.037 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.132 |
-0.158 |
0.000 |
0.011 |
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 |
2.472 |
0.000 |
0.000 |
-0.130 |
0.000 |
0.000 |
Slide |
0.000 |
3.391 |
2.739 |
0.000 |
0.059 |
-0.166 |
Rise |
0.000 |
2.739 |
11.988 |
0.000 |
0.147 |
-0.201 |
Tilt |
-0.130 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
0.059 |
0.147 |
0.000 |
0.034 |
0.003 |
Twist |
0.000 |
-0.166 |
-0.201 |
0.000 |
0.003 |
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 |
0.755 |
0.000 |
0.000 |
-0.064 |
0.000 |
0.000 |
Slide |
0.000 |
2.602 |
0.907 |
0.000 |
0.007 |
-0.113 |
Rise |
0.000 |
0.907 |
8.168 |
0.000 |
-0.139 |
-0.261 |
Tilt |
-0.064 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.007 |
-0.139 |
0.000 |
0.020 |
0.011 |
Twist |
0.000 |
-0.113 |
-0.261 |
0.000 |
0.011 |
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 |
1.177 |
0.000 |
0.000 |
-0.055 |
0.000 |
0.000 |
Slide |
0.000 |
2.772 |
1.027 |
0.000 |
-0.067 |
-0.127 |
Rise |
0.000 |
1.027 |
8.781 |
0.000 |
-0.054 |
-0.159 |
Tilt |
-0.055 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.067 |
-0.054 |
0.000 |
0.021 |
0.010 |
Twist |
0.000 |
-0.127 |
-0.159 |
0.000 |
0.010 |
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 |
0.845 |
0.000 |
0.000 |
-0.069 |
0.000 |
0.000 |
Slide |
0.000 |
2.737 |
1.250 |
0.000 |
-0.056 |
-0.175 |
Rise |
0.000 |
1.250 |
9.095 |
0.000 |
-0.010 |
-0.184 |
Tilt |
-0.069 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.056 |
-0.010 |
0.000 |
0.020 |
0.008 |
Twist |
0.000 |
-0.175 |
-0.184 |
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)