| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.982 |
0.000 |
0.000 |
-0.110 |
0.000 |
0.000 |
Slide |
0.000 |
2.843 |
1.084 |
0.000 |
-0.057 |
-0.173 |
Rise |
0.000 |
1.084 |
9.135 |
0.000 |
-0.037 |
-0.176 |
Tilt |
-0.110 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.057 |
-0.037 |
0.000 |
0.023 |
0.008 |
Twist |
0.000 |
-0.173 |
-0.176 |
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 |
1.078 |
0.000 |
0.000 |
-0.067 |
0.000 |
0.000 |
Slide |
0.000 |
3.759 |
3.044 |
0.000 |
0.046 |
-0.147 |
Rise |
0.000 |
3.044 |
10.560 |
0.000 |
0.112 |
-0.193 |
Tilt |
-0.067 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.046 |
0.112 |
0.000 |
0.026 |
0.006 |
Twist |
0.000 |
-0.147 |
-0.193 |
0.000 |
0.006 |
0.041 |
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 |
1.523 |
0.000 |
0.000 |
-0.006 |
0.000 |
0.000 |
Slide |
0.000 |
4.663 |
3.096 |
0.000 |
-0.024 |
-0.120 |
Rise |
0.000 |
3.096 |
11.839 |
0.000 |
0.045 |
-0.147 |
Tilt |
-0.006 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.024 |
0.045 |
0.000 |
0.028 |
0.008 |
Twist |
0.000 |
-0.120 |
-0.147 |
0.000 |
0.008 |
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 |
0.988 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Slide |
0.000 |
4.485 |
2.780 |
0.000 |
-0.057 |
-0.083 |
Rise |
0.000 |
2.780 |
11.656 |
0.000 |
0.064 |
-0.174 |
Tilt |
0.024 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
-0.057 |
0.064 |
0.000 |
0.026 |
0.012 |
Twist |
0.000 |
-0.083 |
-0.174 |
0.000 |
0.012 |
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 |
1.017 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Slide |
0.000 |
4.874 |
3.045 |
0.000 |
-0.044 |
-0.074 |
Rise |
0.000 |
3.045 |
12.103 |
0.000 |
0.070 |
-0.164 |
Tilt |
0.022 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.044 |
0.070 |
0.000 |
0.027 |
0.012 |
Twist |
0.000 |
-0.074 |
-0.164 |
0.000 |
0.012 |
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 |
2.606 |
0.000 |
0.000 |
-0.009 |
0.000 |
0.000 |
Slide |
0.000 |
5.385 |
2.998 |
0.000 |
-0.003 |
-0.213 |
Rise |
0.000 |
2.998 |
11.197 |
0.000 |
0.043 |
-0.177 |
Tilt |
-0.009 |
0.000 |
0.000 |
0.050 |
0.000 |
0.000 |
Roll |
0.000 |
-0.003 |
0.043 |
0.000 |
0.037 |
0.005 |
Twist |
0.000 |
-0.213 |
-0.177 |
0.000 |
0.005 |
0.075 |
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 |
0.998 |
0.000 |
0.000 |
-0.043 |
0.000 |
0.000 |
Slide |
0.000 |
3.674 |
2.909 |
0.000 |
0.049 |
-0.085 |
Rise |
0.000 |
2.909 |
10.583 |
0.000 |
0.107 |
-0.236 |
Tilt |
-0.043 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
0.049 |
0.107 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.085 |
-0.236 |
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 |
0.453 |
0.000 |
0.000 |
-0.050 |
0.000 |
0.000 |
Slide |
0.000 |
2.264 |
1.308 |
0.000 |
0.021 |
-0.114 |
Rise |
0.000 |
1.309 |
7.346 |
0.000 |
-0.093 |
-0.222 |
Tilt |
-0.050 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
-0.093 |
0.000 |
0.016 |
0.010 |
Twist |
0.000 |
-0.114 |
-0.222 |
0.000 |
0.010 |
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 |
0.407 |
0.000 |
0.000 |
-0.056 |
0.000 |
0.000 |
Slide |
0.000 |
2.256 |
1.035 |
0.000 |
0.039 |
-0.099 |
Rise |
0.000 |
1.035 |
7.342 |
0.000 |
-0.081 |
-0.223 |
Tilt |
-0.056 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.039 |
-0.081 |
0.000 |
0.017 |
0.010 |
Twist |
0.000 |
-0.099 |
-0.223 |
0.000 |
0.010 |
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 |
0.395 |
0.000 |
0.000 |
-0.043 |
0.000 |
0.000 |
Slide |
0.000 |
2.524 |
1.168 |
0.000 |
0.037 |
-0.112 |
Rise |
0.000 |
1.168 |
7.570 |
0.000 |
-0.085 |
-0.240 |
Tilt |
-0.043 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.037 |
-0.085 |
0.000 |
0.016 |
0.010 |
Twist |
0.000 |
-0.112 |
-0.239 |
0.000 |
0.010 |
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 |
0.477 |
0.000 |
0.000 |
-0.050 |
0.000 |
0.000 |
Slide |
0.000 |
2.075 |
1.315 |
0.000 |
0.021 |
-0.107 |
Rise |
0.000 |
1.315 |
7.323 |
0.000 |
-0.096 |
-0.226 |
Tilt |
-0.050 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
-0.096 |
0.000 |
0.018 |
0.012 |
Twist |
0.000 |
-0.107 |
-0.226 |
0.000 |
0.012 |
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 |
0.483 |
0.000 |
0.000 |
-0.064 |
0.000 |
0.000 |
Slide |
0.000 |
2.055 |
1.371 |
0.000 |
0.029 |
-0.107 |
Rise |
0.000 |
1.371 |
7.309 |
0.000 |
-0.107 |
-0.234 |
Tilt |
-0.064 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.029 |
-0.107 |
0.000 |
0.019 |
0.013 |
Twist |
0.000 |
-0.107 |
-0.234 |
0.000 |
0.013 |
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 |
0.910 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
Slide |
0.000 |
2.498 |
1.020 |
0.000 |
-0.060 |
-0.143 |
Rise |
0.000 |
1.020 |
8.658 |
0.000 |
-0.040 |
-0.160 |
Tilt |
-0.098 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.060 |
-0.040 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.143 |
-0.160 |
0.000 |
0.009 |
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 |
0.908 |
0.000 |
0.000 |
-0.110 |
0.000 |
0.000 |
Slide |
0.000 |
2.814 |
0.889 |
0.000 |
-0.065 |
-0.161 |
Rise |
0.000 |
0.889 |
9.312 |
0.000 |
-0.029 |
-0.165 |
Tilt |
-0.110 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.065 |
-0.029 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.161 |
-0.165 |
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)