| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.738 |
0.000 |
0.000 |
-0.099 |
0.000 |
0.000 |
Slide |
0.000 |
2.597 |
0.981 |
0.000 |
-0.071 |
-0.158 |
Rise |
0.000 |
0.981 |
9.770 |
0.000 |
-0.039 |
-0.192 |
Tilt |
-0.099 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.071 |
-0.039 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.158 |
-0.192 |
0.000 |
0.010 |
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 |
1.097 |
0.000 |
0.000 |
-0.108 |
0.000 |
0.000 |
Slide |
0.000 |
2.644 |
1.135 |
0.000 |
-0.057 |
-0.186 |
Rise |
0.000 |
1.135 |
8.902 |
0.000 |
-0.031 |
-0.190 |
Tilt |
-0.108 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.057 |
-0.031 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.186 |
-0.190 |
0.000 |
0.008 |
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 |
0.796 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
2.590 |
1.197 |
0.000 |
-0.078 |
-0.156 |
Rise |
0.000 |
1.197 |
9.120 |
0.000 |
-0.028 |
-0.175 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.078 |
-0.028 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.156 |
-0.175 |
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 |
1.738 |
0.000 |
0.000 |
-0.069 |
0.000 |
0.000 |
Slide |
0.000 |
3.183 |
1.315 |
0.000 |
-0.061 |
-0.167 |
Rise |
0.000 |
1.315 |
8.245 |
0.000 |
-0.051 |
-0.155 |
Tilt |
-0.069 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.061 |
-0.051 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.167 |
-0.155 |
0.000 |
0.008 |
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 |
2.043 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
4.003 |
1.236 |
0.000 |
-0.041 |
-0.307 |
Rise |
0.000 |
1.236 |
8.016 |
0.000 |
-0.056 |
-0.152 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.041 |
-0.056 |
0.000 |
0.024 |
0.005 |
Twist |
0.000 |
-0.307 |
-0.152 |
0.000 |
0.005 |
0.056 |
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 |
0.873 |
0.000 |
0.000 |
-0.049 |
0.000 |
0.000 |
Slide |
0.000 |
3.682 |
3.072 |
0.000 |
0.023 |
-0.070 |
Rise |
0.000 |
3.072 |
10.868 |
0.000 |
0.077 |
-0.198 |
Tilt |
-0.049 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.023 |
0.077 |
0.000 |
0.026 |
0.009 |
Twist |
0.000 |
-0.070 |
-0.198 |
0.000 |
0.009 |
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 |
1.752 |
0.000 |
0.000 |
-0.028 |
0.000 |
0.000 |
Slide |
0.000 |
5.104 |
2.898 |
0.000 |
-0.024 |
-0.166 |
Rise |
0.000 |
2.898 |
10.665 |
0.000 |
0.028 |
-0.186 |
Tilt |
-0.028 |
0.000 |
0.000 |
0.051 |
0.000 |
0.000 |
Roll |
0.000 |
-0.024 |
0.028 |
0.000 |
0.032 |
0.010 |
Twist |
0.000 |
-0.166 |
-0.186 |
0.000 |
0.010 |
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 |
1.553 |
0.000 |
0.000 |
-0.007 |
0.000 |
0.000 |
Slide |
0.000 |
4.969 |
3.036 |
0.000 |
-0.024 |
-0.173 |
Rise |
0.000 |
3.036 |
11.662 |
0.000 |
0.069 |
-0.175 |
Tilt |
-0.007 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
-0.024 |
0.069 |
0.000 |
0.031 |
0.011 |
Twist |
0.000 |
-0.173 |
-0.175 |
0.000 |
0.011 |
0.060 |
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 |
0.787 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
Slide |
0.000 |
2.230 |
1.422 |
0.000 |
0.020 |
-0.090 |
Rise |
0.000 |
1.422 |
7.000 |
0.000 |
-0.108 |
-0.238 |
Tilt |
-0.063 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.020 |
-0.108 |
0.000 |
0.019 |
0.009 |
Twist |
0.000 |
-0.090 |
-0.238 |
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 |
1.506 |
0.000 |
0.000 |
-0.099 |
0.000 |
0.000 |
Slide |
0.000 |
2.625 |
1.734 |
0.000 |
-0.050 |
-0.120 |
Rise |
0.000 |
1.734 |
7.499 |
0.000 |
-0.039 |
-0.138 |
Tilt |
-0.099 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.050 |
-0.039 |
0.000 |
0.024 |
0.005 |
Twist |
0.000 |
-0.120 |
-0.138 |
0.000 |
0.005 |
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 |
0.474 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
2.318 |
0.978 |
0.000 |
0.032 |
-0.113 |
Rise |
0.000 |
0.978 |
7.035 |
0.000 |
-0.078 |
-0.209 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.032 |
-0.078 |
0.000 |
0.016 |
0.010 |
Twist |
0.000 |
-0.113 |
-0.209 |
0.000 |
0.010 |
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 |
0.406 |
0.000 |
0.000 |
-0.044 |
0.000 |
0.000 |
Slide |
0.000 |
2.443 |
0.955 |
0.000 |
-0.003 |
-0.149 |
Rise |
0.000 |
0.955 |
8.475 |
0.000 |
-0.136 |
-0.234 |
Tilt |
-0.044 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.003 |
-0.136 |
0.000 |
0.020 |
0.015 |
Twist |
0.000 |
-0.149 |
-0.234 |
0.000 |
0.015 |
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 |
0.422 |
0.000 |
0.000 |
-0.061 |
0.000 |
0.000 |
Slide |
0.000 |
2.404 |
1.354 |
0.000 |
0.031 |
-0.113 |
Rise |
0.000 |
1.354 |
7.971 |
0.000 |
-0.108 |
-0.245 |
Tilt |
-0.061 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.031 |
-0.108 |
0.000 |
0.019 |
0.013 |
Twist |
0.000 |
-0.113 |
-0.245 |
0.000 |
0.013 |
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 |
0.723 |
0.000 |
0.000 |
-0.065 |
0.000 |
0.000 |
Slide |
0.000 |
2.754 |
0.702 |
0.000 |
-0.065 |
-0.149 |
Rise |
0.000 |
0.702 |
9.581 |
0.000 |
-0.005 |
-0.183 |
Tilt |
-0.065 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.065 |
-0.005 |
0.000 |
0.021 |
0.010 |
Twist |
0.000 |
-0.149 |
-0.183 |
0.000 |
0.010 |
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)