| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.616 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Slide |
0.000 |
2.725 |
0.835 |
0.000 |
0.008 |
-0.020 |
Rise |
0.000 |
0.835 |
3.458 |
0.000 |
0.010 |
-0.076 |
Tilt |
0.031 |
0.000 |
0.000 |
0.004 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
0.010 |
0.000 |
0.009 |
0.001 |
Twist |
0.000 |
-0.020 |
-0.076 |
0.000 |
0.001 |
0.008 |
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 |
0.318 |
0.000 |
0.000 |
-0.081 |
0.000 |
0.000 |
Slide |
0.000 |
4.102 |
1.846 |
0.000 |
-0.022 |
-0.136 |
Rise |
0.000 |
1.846 |
9.082 |
0.000 |
-0.034 |
-0.130 |
Tilt |
-0.081 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.022 |
-0.034 |
0.000 |
0.022 |
0.004 |
Twist |
0.000 |
-0.136 |
-0.130 |
0.000 |
0.004 |
0.011 |
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 |
0.054 |
0.000 |
0.000 |
0.009 |
0.000 |
0.000 |
Slide |
0.000 |
0.922 |
0.292 |
0.000 |
0.018 |
-0.024 |
Rise |
0.000 |
0.292 |
0.465 |
0.000 |
0.032 |
-0.005 |
Tilt |
0.009 |
0.000 |
0.000 |
0.002 |
0.000 |
0.000 |
Roll |
0.000 |
0.018 |
0.032 |
0.000 |
0.005 |
0.000 |
Twist |
0.000 |
-0.024 |
-0.005 |
0.000 |
0.000 |
0.002 |
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 |
0.342 |
0.000 |
0.000 |
-0.004 |
0.000 |
0.000 |
Slide |
0.000 |
2.210 |
-0.027 |
0.000 |
-0.014 |
0.058 |
Rise |
0.000 |
-0.027 |
5.010 |
0.000 |
-0.030 |
-0.077 |
Tilt |
-0.004 |
0.000 |
0.000 |
0.019 |
0.000 |
0.000 |
Roll |
0.000 |
-0.014 |
-0.030 |
0.000 |
0.006 |
-0.001 |
Twist |
0.000 |
0.058 |
-0.077 |
0.000 |
-0.001 |
0.015 |
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 |
1.141 |
0.000 |
0.000 |
0.054 |
0.000 |
0.000 |
Slide |
0.000 |
4.082 |
0.079 |
0.000 |
-0.107 |
-0.229 |
Rise |
0.000 |
0.079 |
5.424 |
0.000 |
-0.085 |
-0.065 |
Tilt |
0.054 |
0.000 |
0.000 |
0.015 |
0.000 |
0.000 |
Roll |
0.000 |
-0.107 |
-0.085 |
0.000 |
0.020 |
0.005 |
Twist |
0.000 |
-0.229 |
-0.065 |
0.000 |
0.005 |
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 |
1.193 |
0.000 |
0.000 |
-0.023 |
0.000 |
0.000 |
Slide |
0.000 |
5.478 |
3.210 |
0.000 |
0.073 |
-0.184 |
Rise |
0.000 |
3.210 |
10.591 |
0.000 |
0.185 |
-0.212 |
Tilt |
-0.023 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
0.073 |
0.185 |
0.000 |
0.025 |
0.003 |
Twist |
0.000 |
-0.184 |
-0.212 |
0.000 |
0.003 |
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 |
0.997 |
0.000 |
0.000 |
-0.049 |
0.000 |
0.000 |
Slide |
0.000 |
5.507 |
3.054 |
0.000 |
0.072 |
-0.205 |
Rise |
0.000 |
3.054 |
11.547 |
0.000 |
0.186 |
-0.227 |
Tilt |
-0.049 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
0.072 |
0.186 |
0.000 |
0.024 |
0.002 |
Twist |
0.000 |
-0.205 |
-0.227 |
0.000 |
0.002 |
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 |
0.783 |
0.000 |
0.000 |
0.091 |
0.000 |
0.000 |
Slide |
0.000 |
4.456 |
0.463 |
0.000 |
-0.033 |
-0.128 |
Rise |
0.000 |
0.463 |
7.943 |
0.000 |
-0.041 |
-0.047 |
Tilt |
0.091 |
0.000 |
0.000 |
0.017 |
0.000 |
0.000 |
Roll |
0.000 |
-0.033 |
-0.041 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.128 |
-0.047 |
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 |
0.481 |
0.000 |
0.000 |
0.081 |
0.000 |
0.000 |
Slide |
0.000 |
3.978 |
0.992 |
0.000 |
-0.009 |
-0.158 |
Rise |
0.000 |
0.992 |
9.264 |
0.000 |
0.031 |
-0.062 |
Tilt |
0.081 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
-0.009 |
0.031 |
0.000 |
0.025 |
0.011 |
Twist |
0.000 |
-0.158 |
-0.062 |
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 |
0.027 |
0.000 |
0.000 |
0.007 |
0.000 |
0.000 |
Slide |
0.000 |
0.384 |
0.005 |
0.000 |
0.010 |
-0.000 |
Rise |
0.000 |
0.005 |
0.333 |
0.000 |
-0.002 |
-0.006 |
Tilt |
0.007 |
0.000 |
0.000 |
0.003 |
0.000 |
0.000 |
Roll |
0.000 |
0.010 |
-0.002 |
0.000 |
0.004 |
-0.000 |
Twist |
0.000 |
-0.000 |
-0.006 |
0.000 |
-0.000 |
0.000 |
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 |
0.036 |
0.000 |
0.000 |
0.006 |
0.000 |
0.000 |
Slide |
0.000 |
0.460 |
-0.333 |
0.000 |
-0.025 |
-0.019 |
Rise |
0.000 |
-0.333 |
1.007 |
0.000 |
0.025 |
0.003 |
Tilt |
0.006 |
0.000 |
0.000 |
0.003 |
0.000 |
0.000 |
Roll |
0.000 |
-0.025 |
0.025 |
0.000 |
0.009 |
0.001 |
Twist |
0.000 |
-0.019 |
0.003 |
0.000 |
0.001 |
0.003 |
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 |
1.000 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Slide |
0.000 |
3.379 |
-0.400 |
0.000 |
-0.108 |
-0.188 |
Rise |
0.000 |
-0.400 |
3.101 |
0.000 |
-0.029 |
-0.035 |
Tilt |
0.044 |
0.000 |
0.000 |
0.013 |
0.000 |
0.000 |
Roll |
0.000 |
-0.108 |
-0.029 |
0.000 |
0.020 |
0.003 |
Twist |
0.000 |
-0.188 |
-0.035 |
0.000 |
0.003 |
0.026 |
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 |
0.129 |
0.000 |
0.000 |
-0.011 |
0.000 |
0.000 |
Slide |
0.000 |
1.735 |
0.469 |
0.000 |
-0.053 |
0.033 |
Rise |
0.000 |
0.469 |
3.123 |
0.000 |
-0.060 |
-0.073 |
Tilt |
-0.011 |
0.000 |
0.000 |
0.012 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
-0.060 |
0.000 |
0.023 |
0.004 |
Twist |
0.000 |
0.033 |
-0.073 |
0.000 |
0.004 |
0.009 |
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 |
0.228 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Slide |
0.000 |
0.433 |
-0.322 |
0.000 |
0.001 |
0.001 |
Rise |
0.000 |
-0.322 |
0.601 |
0.000 |
-0.018 |
-0.014 |
Tilt |
0.024 |
0.000 |
0.000 |
0.003 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.018 |
0.000 |
0.008 |
0.000 |
Twist |
0.000 |
0.001 |
-0.014 |
0.000 |
0.000 |
0.002 |
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 |
0.307 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Slide |
0.000 |
1.206 |
-0.110 |
0.000 |
-0.024 |
-0.073 |
Rise |
0.000 |
-0.110 |
1.282 |
0.000 |
-0.067 |
0.048 |
Tilt |
0.035 |
0.000 |
0.000 |
0.005 |
0.000 |
0.000 |
Roll |
0.000 |
-0.024 |
-0.067 |
0.000 |
0.014 |
-0.000 |
Twist |
0.000 |
-0.073 |
0.048 |
0.000 |
-0.000 |
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 |
0.479 |
0.000 |
0.000 |
0.050 |
0.000 |
0.000 |
Slide |
0.000 |
1.173 |
0.086 |
0.000 |
-0.024 |
-0.067 |
Rise |
0.000 |
0.086 |
1.498 |
0.000 |
-0.033 |
0.030 |
Tilt |
0.050 |
0.000 |
0.000 |
0.006 |
0.000 |
0.000 |
Roll |
0.000 |
-0.024 |
-0.033 |
0.000 |
0.012 |
0.003 |
Twist |
0.000 |
-0.067 |
0.030 |
0.000 |
0.003 |
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)