| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.746 |
0.000 |
0.000 |
-0.107 |
0.000 |
0.000 |
Slide |
0.000 |
2.704 |
0.815 |
0.000 |
-0.077 |
-0.147 |
Rise |
0.000 |
0.815 |
9.375 |
0.000 |
-0.034 |
-0.169 |
Tilt |
-0.107 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.077 |
-0.034 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.147 |
-0.169 |
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 |
1.052 |
0.000 |
0.000 |
-0.110 |
0.000 |
0.000 |
Slide |
0.000 |
2.754 |
1.320 |
0.000 |
-0.057 |
-0.190 |
Rise |
0.000 |
1.320 |
8.898 |
0.000 |
-0.027 |
-0.194 |
Tilt |
-0.110 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.057 |
-0.027 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.190 |
-0.194 |
0.000 |
0.008 |
0.046 |
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 |
0.760 |
0.000 |
0.000 |
-0.064 |
0.000 |
0.000 |
Slide |
0.000 |
2.607 |
1.219 |
0.000 |
-0.085 |
-0.157 |
Rise |
0.000 |
1.219 |
8.680 |
0.000 |
-0.036 |
-0.169 |
Tilt |
-0.064 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.085 |
-0.036 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.157 |
-0.169 |
0.000 |
0.011 |
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 |
1.795 |
0.000 |
0.000 |
-0.069 |
0.000 |
0.000 |
Slide |
0.000 |
3.163 |
1.460 |
0.000 |
-0.060 |
-0.170 |
Rise |
0.000 |
1.460 |
8.036 |
0.000 |
-0.055 |
-0.161 |
Tilt |
-0.069 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.060 |
-0.055 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.170 |
-0.161 |
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 |
2.065 |
0.000 |
0.000 |
-0.104 |
0.000 |
0.000 |
Slide |
0.000 |
3.929 |
1.085 |
0.000 |
-0.051 |
-0.308 |
Rise |
0.000 |
1.085 |
8.160 |
0.000 |
-0.045 |
-0.143 |
Tilt |
-0.104 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.051 |
-0.045 |
0.000 |
0.026 |
0.006 |
Twist |
0.000 |
-0.308 |
-0.143 |
0.000 |
0.006 |
0.058 |
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 |
0.893 |
0.000 |
0.000 |
-0.043 |
0.000 |
0.000 |
Slide |
0.000 |
3.653 |
3.192 |
0.000 |
0.020 |
-0.076 |
Rise |
0.000 |
3.192 |
11.198 |
0.000 |
0.068 |
-0.208 |
Tilt |
-0.043 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.020 |
0.068 |
0.000 |
0.027 |
0.010 |
Twist |
0.000 |
-0.076 |
-0.208 |
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 |
1.888 |
0.000 |
0.000 |
-0.023 |
0.000 |
0.000 |
Slide |
0.000 |
5.348 |
2.768 |
0.000 |
-0.030 |
-0.176 |
Rise |
0.000 |
2.768 |
10.456 |
0.000 |
0.025 |
-0.191 |
Tilt |
-0.023 |
0.000 |
0.000 |
0.049 |
0.000 |
0.000 |
Roll |
0.000 |
-0.030 |
0.025 |
0.000 |
0.033 |
0.011 |
Twist |
0.000 |
-0.176 |
-0.191 |
0.000 |
0.011 |
0.064 |
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 |
1.497 |
0.000 |
0.000 |
-0.002 |
0.000 |
0.000 |
Slide |
0.000 |
5.082 |
3.001 |
0.000 |
-0.013 |
-0.178 |
Rise |
0.000 |
3.001 |
11.721 |
0.000 |
0.068 |
-0.147 |
Tilt |
-0.002 |
0.000 |
0.000 |
0.048 |
0.000 |
0.000 |
Roll |
0.000 |
-0.013 |
0.068 |
0.000 |
0.032 |
0.010 |
Twist |
0.000 |
-0.178 |
-0.147 |
0.000 |
0.010 |
0.063 |
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 |
0.799 |
0.000 |
0.000 |
-0.065 |
0.000 |
0.000 |
Slide |
0.000 |
2.253 |
1.580 |
0.000 |
0.017 |
-0.093 |
Rise |
0.000 |
1.580 |
7.231 |
0.000 |
-0.105 |
-0.243 |
Tilt |
-0.065 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.017 |
-0.105 |
0.000 |
0.019 |
0.009 |
Twist |
0.000 |
-0.093 |
-0.243 |
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 |
1.520 |
0.000 |
0.000 |
-0.088 |
0.000 |
0.000 |
Slide |
0.000 |
2.557 |
1.572 |
0.000 |
-0.053 |
-0.107 |
Rise |
0.000 |
1.572 |
7.234 |
0.000 |
-0.039 |
-0.128 |
Tilt |
-0.088 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
-0.039 |
0.000 |
0.023 |
0.005 |
Twist |
0.000 |
-0.107 |
-0.128 |
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 |
0.487 |
0.000 |
0.000 |
-0.057 |
0.000 |
0.000 |
Slide |
0.000 |
2.325 |
0.843 |
0.000 |
0.031 |
-0.126 |
Rise |
0.000 |
0.843 |
7.634 |
0.000 |
-0.096 |
-0.214 |
Tilt |
-0.057 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.031 |
-0.096 |
0.000 |
0.017 |
0.010 |
Twist |
0.000 |
-0.126 |
-0.214 |
0.000 |
0.010 |
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 |
0.403 |
0.000 |
0.000 |
-0.042 |
0.000 |
0.000 |
Slide |
0.000 |
2.488 |
0.826 |
0.000 |
0.006 |
-0.142 |
Rise |
0.000 |
0.826 |
8.459 |
0.000 |
-0.133 |
-0.227 |
Tilt |
-0.042 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
-0.133 |
0.000 |
0.020 |
0.014 |
Twist |
0.000 |
-0.142 |
-0.227 |
0.000 |
0.014 |
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 |
0.428 |
0.000 |
0.000 |
-0.061 |
0.000 |
0.000 |
Slide |
0.000 |
2.467 |
1.309 |
0.000 |
0.026 |
-0.119 |
Rise |
0.000 |
1.309 |
7.797 |
0.000 |
-0.109 |
-0.236 |
Tilt |
-0.061 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.026 |
-0.109 |
0.000 |
0.018 |
0.012 |
Twist |
0.000 |
-0.119 |
-0.236 |
0.000 |
0.012 |
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 |
0.731 |
0.000 |
0.000 |
-0.071 |
0.000 |
0.000 |
Slide |
0.000 |
2.827 |
0.871 |
0.000 |
-0.061 |
-0.142 |
Rise |
0.000 |
0.871 |
9.675 |
0.000 |
-0.001 |
-0.186 |
Tilt |
-0.071 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.061 |
-0.001 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.142 |
-0.186 |
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)