| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.827 |
0.000 |
0.000 |
-0.030 |
0.000 |
0.000 |
Slide |
0.000 |
4.232 |
2.985 |
0.000 |
0.019 |
-0.106 |
Rise |
0.000 |
2.985 |
11.053 |
0.000 |
0.086 |
-0.230 |
Tilt |
-0.030 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.019 |
0.086 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.106 |
-0.230 |
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 |
1.036 |
0.000 |
0.000 |
-0.124 |
0.000 |
0.000 |
Slide |
0.000 |
2.494 |
1.958 |
0.000 |
-0.042 |
-0.109 |
Rise |
0.000 |
1.958 |
8.763 |
0.000 |
-0.073 |
-0.212 |
Tilt |
-0.124 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.042 |
-0.073 |
0.000 |
0.020 |
0.005 |
Twist |
0.000 |
-0.109 |
-0.212 |
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 |
1.383 |
0.000 |
0.000 |
-0.021 |
0.000 |
0.000 |
Slide |
0.000 |
4.856 |
3.031 |
0.000 |
-0.051 |
-0.064 |
Rise |
0.000 |
3.031 |
11.961 |
0.000 |
0.063 |
-0.164 |
Tilt |
-0.021 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
-0.051 |
0.063 |
0.000 |
0.029 |
0.011 |
Twist |
0.000 |
-0.064 |
-0.164 |
0.000 |
0.011 |
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 |
0.740 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
2.592 |
1.143 |
0.000 |
0.025 |
-0.093 |
Rise |
0.000 |
1.143 |
7.308 |
0.000 |
-0.082 |
-0.213 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.025 |
-0.082 |
0.000 |
0.018 |
0.009 |
Twist |
0.000 |
-0.093 |
-0.213 |
0.000 |
0.009 |
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 |
0.678 |
0.000 |
0.000 |
-0.076 |
0.000 |
0.000 |
Slide |
0.000 |
2.582 |
0.535 |
0.000 |
0.022 |
-0.112 |
Rise |
0.000 |
0.535 |
7.426 |
0.000 |
-0.081 |
-0.206 |
Tilt |
-0.076 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.022 |
-0.081 |
0.000 |
0.018 |
0.008 |
Twist |
0.000 |
-0.112 |
-0.206 |
0.000 |
0.008 |
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 |
1.125 |
0.000 |
0.000 |
-0.145 |
0.000 |
0.000 |
Slide |
0.000 |
2.673 |
1.143 |
0.000 |
0.009 |
-0.106 |
Rise |
0.000 |
1.143 |
7.511 |
0.000 |
-0.089 |
-0.230 |
Tilt |
-0.145 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
-0.089 |
0.000 |
0.016 |
0.005 |
Twist |
0.000 |
-0.106 |
-0.230 |
0.000 |
0.005 |
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 |
1.299 |
0.000 |
0.000 |
-0.139 |
0.000 |
0.000 |
Slide |
0.000 |
2.411 |
1.375 |
0.000 |
0.034 |
-0.083 |
Rise |
0.000 |
1.375 |
7.079 |
0.000 |
-0.069 |
-0.183 |
Tilt |
-0.139 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.034 |
-0.069 |
0.000 |
0.016 |
0.002 |
Twist |
0.000 |
-0.083 |
-0.183 |
0.000 |
0.002 |
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 |
1.041 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
Slide |
0.000 |
2.391 |
0.974 |
0.000 |
0.019 |
-0.100 |
Rise |
0.000 |
0.974 |
8.076 |
0.000 |
-0.085 |
-0.245 |
Tilt |
-0.112 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.019 |
-0.085 |
0.000 |
0.017 |
0.006 |
Twist |
0.000 |
-0.100 |
-0.245 |
0.000 |
0.006 |
0.024 |
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 |
1.392 |
0.000 |
0.000 |
-0.161 |
0.000 |
0.000 |
Slide |
0.000 |
2.821 |
3.093 |
0.000 |
0.042 |
-0.060 |
Rise |
0.000 |
3.093 |
11.902 |
0.000 |
0.122 |
-0.232 |
Tilt |
-0.161 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.042 |
0.122 |
0.000 |
0.028 |
0.008 |
Twist |
0.000 |
-0.060 |
-0.232 |
0.000 |
0.008 |
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 |
1.293 |
0.000 |
0.000 |
-0.129 |
0.000 |
0.000 |
Slide |
0.000 |
3.451 |
2.562 |
0.000 |
0.067 |
-0.128 |
Rise |
0.000 |
2.562 |
11.530 |
0.000 |
0.139 |
-0.230 |
Tilt |
-0.129 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
0.067 |
0.139 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.128 |
-0.230 |
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 |
1.343 |
0.000 |
0.000 |
-0.045 |
0.000 |
0.000 |
Slide |
0.000 |
3.869 |
3.199 |
0.000 |
0.015 |
-0.060 |
Rise |
0.000 |
3.199 |
11.508 |
0.000 |
0.055 |
-0.221 |
Tilt |
-0.045 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.015 |
0.055 |
0.000 |
0.026 |
0.008 |
Twist |
0.000 |
-0.060 |
-0.221 |
0.000 |
0.008 |
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 |
1.290 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
3.556 |
2.987 |
0.000 |
0.031 |
-0.103 |
Rise |
0.000 |
2.987 |
10.559 |
0.000 |
0.081 |
-0.222 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.031 |
0.081 |
0.000 |
0.027 |
0.007 |
Twist |
0.000 |
-0.103 |
-0.222 |
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 |
0.768 |
0.000 |
0.000 |
-0.019 |
0.000 |
0.000 |
Slide |
0.000 |
4.299 |
3.137 |
0.000 |
0.009 |
-0.129 |
Rise |
0.000 |
3.137 |
11.367 |
0.000 |
0.083 |
-0.247 |
Tilt |
-0.019 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
0.083 |
0.000 |
0.023 |
0.005 |
Twist |
0.000 |
-0.129 |
-0.247 |
0.000 |
0.005 |
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 |
0.423 |
0.000 |
0.000 |
-0.054 |
0.000 |
0.000 |
Slide |
0.000 |
2.969 |
0.545 |
0.000 |
0.023 |
-0.150 |
Rise |
0.000 |
0.545 |
8.545 |
0.000 |
-0.098 |
-0.219 |
Tilt |
-0.054 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.023 |
-0.098 |
0.000 |
0.019 |
0.013 |
Twist |
0.000 |
-0.150 |
-0.219 |
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 |
0.905 |
0.000 |
0.000 |
-0.123 |
0.000 |
0.000 |
Slide |
0.000 |
1.933 |
1.493 |
0.000 |
-0.049 |
-0.089 |
Rise |
0.000 |
1.493 |
8.605 |
0.000 |
-0.037 |
-0.173 |
Tilt |
-0.123 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.049 |
-0.037 |
0.000 |
0.024 |
0.014 |
Twist |
0.000 |
-0.089 |
-0.173 |
0.000 |
0.014 |
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 |
0.777 |
0.000 |
0.000 |
-0.084 |
0.000 |
0.000 |
Slide |
0.000 |
2.059 |
1.267 |
0.000 |
-0.051 |
-0.112 |
Rise |
0.000 |
1.267 |
8.081 |
0.000 |
-0.066 |
-0.194 |
Tilt |
-0.084 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.051 |
-0.066 |
0.000 |
0.025 |
0.013 |
Twist |
0.000 |
-0.112 |
-0.194 |
0.000 |
0.013 |
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 |
0.811 |
0.000 |
0.000 |
-0.061 |
0.000 |
0.000 |
Slide |
0.000 |
2.694 |
0.937 |
0.000 |
0.012 |
-0.111 |
Rise |
0.000 |
0.936 |
7.583 |
0.000 |
-0.092 |
-0.211 |
Tilt |
-0.061 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
-0.092 |
0.000 |
0.018 |
0.010 |
Twist |
0.000 |
-0.111 |
-0.211 |
0.000 |
0.010 |
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 |
0.985 |
0.000 |
0.000 |
-0.106 |
0.000 |
0.000 |
Slide |
0.000 |
3.007 |
0.887 |
0.000 |
-0.052 |
-0.150 |
Rise |
0.000 |
0.887 |
9.413 |
0.000 |
-0.021 |
-0.152 |
Tilt |
-0.106 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.052 |
-0.021 |
0.000 |
0.021 |
0.009 |
Twist |
0.000 |
-0.150 |
-0.152 |
0.000 |
0.009 |
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 |
1.479 |
0.000 |
0.000 |
-0.071 |
0.000 |
0.000 |
Slide |
0.000 |
3.241 |
1.180 |
0.000 |
-0.076 |
-0.170 |
Rise |
0.000 |
1.180 |
8.738 |
0.000 |
-0.064 |
-0.179 |
Tilt |
-0.071 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.076 |
-0.064 |
0.000 |
0.024 |
0.009 |
Twist |
0.000 |
-0.170 |
-0.179 |
0.000 |
0.009 |
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)