| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.004 |
0.000 |
0.000 |
-0.084 |
0.000 |
0.000 |
Slide |
0.000 |
2.594 |
0.721 |
0.000 |
-0.070 |
-0.135 |
Rise |
0.000 |
0.721 |
8.794 |
0.000 |
-0.011 |
-0.180 |
Tilt |
-0.084 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.070 |
-0.011 |
0.000 |
0.025 |
0.011 |
Twist |
0.000 |
-0.135 |
-0.180 |
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 |
0.842 |
0.000 |
0.000 |
-0.036 |
0.000 |
0.000 |
Slide |
0.000 |
3.651 |
3.277 |
0.000 |
0.026 |
-0.080 |
Rise |
0.000 |
3.277 |
10.968 |
0.000 |
0.072 |
-0.224 |
Tilt |
-0.036 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.026 |
0.072 |
0.000 |
0.025 |
0.009 |
Twist |
0.000 |
-0.080 |
-0.224 |
0.000 |
0.009 |
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 |
0.679 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
4.101 |
3.163 |
0.000 |
0.044 |
-0.074 |
Rise |
0.000 |
3.163 |
11.966 |
0.000 |
0.125 |
-0.200 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.044 |
0.125 |
0.000 |
0.027 |
0.011 |
Twist |
0.000 |
-0.074 |
-0.200 |
0.000 |
0.011 |
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 |
1.547 |
0.000 |
0.000 |
-0.110 |
0.000 |
0.000 |
Slide |
0.000 |
2.717 |
1.610 |
0.000 |
-0.054 |
-0.143 |
Rise |
0.000 |
1.610 |
7.541 |
0.000 |
-0.052 |
-0.144 |
Tilt |
-0.110 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.052 |
0.000 |
0.024 |
0.005 |
Twist |
0.000 |
-0.143 |
-0.144 |
0.000 |
0.005 |
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 |
0.594 |
0.000 |
0.000 |
-0.082 |
0.000 |
0.000 |
Slide |
0.000 |
2.330 |
1.103 |
0.000 |
0.021 |
-0.088 |
Rise |
0.000 |
1.103 |
7.615 |
0.000 |
-0.071 |
-0.205 |
Tilt |
-0.082 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
-0.071 |
0.000 |
0.015 |
0.006 |
Twist |
0.000 |
-0.088 |
-0.205 |
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 |
0.691 |
0.000 |
0.000 |
-0.066 |
0.000 |
0.000 |
Slide |
0.000 |
2.275 |
1.433 |
0.000 |
0.009 |
-0.110 |
Rise |
0.000 |
1.433 |
7.356 |
0.000 |
-0.104 |
-0.244 |
Tilt |
-0.066 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
-0.104 |
0.000 |
0.017 |
0.009 |
Twist |
0.000 |
-0.110 |
-0.244 |
0.000 |
0.009 |
0.022 |
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 |
0.551 |
0.000 |
0.000 |
-0.081 |
0.000 |
0.000 |
Slide |
0.000 |
3.234 |
0.353 |
0.000 |
0.032 |
-0.133 |
Rise |
0.000 |
0.353 |
8.740 |
0.000 |
-0.099 |
-0.240 |
Tilt |
-0.081 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.032 |
-0.099 |
0.000 |
0.020 |
0.008 |
Twist |
0.000 |
-0.133 |
-0.240 |
0.000 |
0.008 |
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 |
1.842 |
0.000 |
0.000 |
-0.116 |
0.000 |
0.000 |
Slide |
0.000 |
2.102 |
1.914 |
0.000 |
-0.025 |
-0.090 |
Rise |
0.000 |
1.914 |
7.941 |
0.000 |
-0.029 |
-0.179 |
Tilt |
-0.116 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.025 |
-0.029 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.090 |
-0.179 |
0.000 |
0.008 |
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 |
0.927 |
0.000 |
0.000 |
-0.134 |
0.000 |
0.000 |
Slide |
0.000 |
2.250 |
1.830 |
0.000 |
-0.019 |
-0.101 |
Rise |
0.000 |
1.830 |
9.300 |
0.000 |
-0.006 |
-0.174 |
Tilt |
-0.134 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
-0.019 |
-0.006 |
0.000 |
0.023 |
0.007 |
Twist |
0.000 |
-0.101 |
-0.174 |
0.000 |
0.007 |
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 |
1.012 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
Slide |
0.000 |
2.782 |
1.671 |
0.000 |
-0.039 |
-0.136 |
Rise |
0.000 |
1.671 |
9.743 |
0.000 |
-0.014 |
-0.205 |
Tilt |
-0.115 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
-0.014 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.136 |
-0.205 |
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 |
1.766 |
0.000 |
0.000 |
-0.146 |
0.000 |
0.000 |
Slide |
0.000 |
2.419 |
2.469 |
0.000 |
0.047 |
-0.058 |
Rise |
0.000 |
2.469 |
11.593 |
0.000 |
0.152 |
-0.226 |
Tilt |
-0.146 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.047 |
0.152 |
0.000 |
0.030 |
0.007 |
Twist |
0.000 |
-0.058 |
-0.227 |
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 |
1.114 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
3.564 |
3.216 |
0.000 |
0.056 |
-0.089 |
Rise |
0.000 |
3.216 |
12.452 |
0.000 |
0.124 |
-0.230 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.056 |
0.124 |
0.000 |
0.025 |
0.005 |
Twist |
0.000 |
-0.089 |
-0.230 |
0.000 |
0.005 |
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 |
0.766 |
0.000 |
0.000 |
-0.069 |
0.000 |
0.000 |
Slide |
0.000 |
3.186 |
0.613 |
0.000 |
0.014 |
-0.118 |
Rise |
0.000 |
0.613 |
8.247 |
0.000 |
-0.141 |
-0.267 |
Tilt |
-0.069 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
-0.141 |
0.000 |
0.022 |
0.012 |
Twist |
0.000 |
-0.118 |
-0.267 |
0.000 |
0.012 |
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)