| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.637 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
3.439 |
1.682 |
0.000 |
-0.086 |
-0.216 |
Rise |
0.000 |
1.682 |
6.395 |
0.000 |
-0.051 |
-0.160 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.086 |
-0.051 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.216 |
-0.160 |
0.000 |
0.008 |
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 |
1.629 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
3.199 |
1.701 |
0.000 |
-0.092 |
-0.186 |
Rise |
0.000 |
1.701 |
6.709 |
0.000 |
-0.063 |
-0.163 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.092 |
-0.063 |
0.000 |
0.026 |
0.007 |
Twist |
0.000 |
-0.186 |
-0.163 |
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 |
1.777 |
0.000 |
0.000 |
-0.073 |
0.000 |
0.000 |
Slide |
0.000 |
3.286 |
1.648 |
0.000 |
-0.088 |
-0.182 |
Rise |
0.000 |
1.648 |
6.582 |
0.000 |
-0.056 |
-0.137 |
Tilt |
-0.073 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.088 |
-0.056 |
0.000 |
0.027 |
0.007 |
Twist |
0.000 |
-0.182 |
-0.137 |
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 |
1.027 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
Slide |
0.000 |
2.446 |
1.491 |
0.000 |
-0.031 |
-0.176 |
Rise |
0.000 |
1.491 |
8.037 |
0.000 |
-0.001 |
-0.181 |
Tilt |
-0.111 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.031 |
-0.001 |
0.000 |
0.019 |
0.007 |
Twist |
0.000 |
-0.176 |
-0.181 |
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 |
1.115 |
0.000 |
0.000 |
-0.093 |
0.000 |
0.000 |
Slide |
0.000 |
2.422 |
0.913 |
0.000 |
-0.033 |
-0.173 |
Rise |
0.000 |
0.913 |
8.138 |
0.000 |
-0.014 |
-0.152 |
Tilt |
-0.093 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.033 |
-0.015 |
0.000 |
0.023 |
0.011 |
Twist |
0.000 |
-0.173 |
-0.152 |
0.000 |
0.011 |
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 |
1.117 |
0.000 |
0.000 |
-0.092 |
0.000 |
0.000 |
Slide |
0.000 |
2.179 |
0.973 |
0.000 |
-0.027 |
-0.156 |
Rise |
0.000 |
0.973 |
7.893 |
0.000 |
-0.010 |
-0.146 |
Tilt |
-0.092 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.027 |
-0.010 |
0.000 |
0.023 |
0.010 |
Twist |
0.000 |
-0.156 |
-0.146 |
0.000 |
0.010 |
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 |
1.105 |
0.000 |
0.000 |
-0.099 |
0.000 |
0.000 |
Slide |
0.000 |
2.320 |
0.911 |
0.000 |
-0.026 |
-0.154 |
Rise |
0.000 |
0.911 |
8.098 |
0.000 |
-0.009 |
-0.141 |
Tilt |
-0.099 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.026 |
-0.009 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.154 |
-0.141 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.870 |
0.000 |
0.000 |
-0.089 |
0.000 |
0.000 |
Slide |
0.000 |
0.805 |
0.770 |
0.000 |
0.017 |
0.023 |
Rise |
0.000 |
0.771 |
6.551 |
0.000 |
0.020 |
-0.047 |
Tilt |
-0.089 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.017 |
0.020 |
0.000 |
0.019 |
0.003 |
Twist |
0.000 |
0.023 |
-0.047 |
0.000 |
0.003 |
0.004 |
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 |
1.143 |
0.000 |
0.000 |
-0.068 |
0.000 |
0.000 |
Slide |
0.000 |
4.287 |
2.585 |
0.000 |
0.065 |
-0.220 |
Rise |
0.000 |
2.584 |
10.932 |
0.000 |
0.144 |
-0.196 |
Tilt |
-0.068 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
0.065 |
0.144 |
0.000 |
0.021 |
0.007 |
Twist |
0.000 |
-0.220 |
-0.196 |
0.000 |
0.007 |
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 |
1.172 |
0.000 |
0.000 |
-0.047 |
0.000 |
0.000 |
Slide |
0.000 |
3.937 |
2.682 |
0.000 |
0.051 |
-0.207 |
Rise |
0.000 |
2.682 |
10.597 |
0.000 |
0.112 |
-0.216 |
Tilt |
-0.047 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
0.051 |
0.112 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.207 |
-0.216 |
0.000 |
0.009 |
0.049 |
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 |
1.113 |
0.000 |
0.000 |
-0.065 |
0.000 |
0.000 |
Slide |
0.000 |
4.008 |
2.539 |
0.000 |
0.058 |
-0.210 |
Rise |
0.000 |
2.539 |
10.934 |
0.000 |
0.147 |
-0.189 |
Tilt |
-0.065 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.058 |
0.147 |
0.000 |
0.021 |
0.007 |
Twist |
0.000 |
-0.210 |
-0.189 |
0.000 |
0.007 |
0.048 |
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 |
1.197 |
0.000 |
0.000 |
-0.032 |
0.000 |
0.000 |
Slide |
0.000 |
2.304 |
0.493 |
0.000 |
0.009 |
-0.035 |
Rise |
0.000 |
0.493 |
8.716 |
0.000 |
-0.177 |
-0.267 |
Tilt |
-0.032 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
-0.177 |
0.000 |
0.025 |
0.010 |
Twist |
0.000 |
-0.035 |
-0.267 |
0.000 |
0.010 |
0.019 |
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 |
0.888 |
0.000 |
0.000 |
-0.058 |
0.000 |
0.000 |
Slide |
0.000 |
1.564 |
0.528 |
0.000 |
0.038 |
-0.053 |
Rise |
0.000 |
0.528 |
7.565 |
0.000 |
-0.110 |
-0.241 |
Tilt |
-0.058 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.038 |
-0.110 |
0.000 |
0.020 |
0.008 |
Twist |
0.000 |
-0.053 |
-0.241 |
0.000 |
0.008 |
0.019 |
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 |
1.063 |
0.000 |
0.000 |
-0.047 |
0.000 |
0.000 |
Slide |
0.000 |
1.891 |
0.526 |
0.000 |
0.020 |
-0.041 |
Rise |
0.000 |
0.526 |
7.611 |
0.000 |
-0.159 |
-0.247 |
Tilt |
-0.047 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.020 |
-0.159 |
0.000 |
0.023 |
0.010 |
Twist |
0.000 |
-0.041 |
-0.247 |
0.000 |
0.010 |
0.018 |
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 |
-0.036 |
0.000 |
0.000 |
Slide |
0.000 |
2.321 |
0.541 |
0.000 |
0.019 |
-0.042 |
Rise |
0.000 |
0.541 |
8.421 |
0.000 |
-0.175 |
-0.263 |
Tilt |
-0.036 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.019 |
-0.175 |
0.000 |
0.024 |
0.010 |
Twist |
0.000 |
-0.042 |
-0.263 |
0.000 |
0.010 |
0.019 |
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)