| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.752 |
0.000 |
0.000 |
-0.052 |
0.000 |
0.000 |
Slide |
0.000 |
4.233 |
3.552 |
0.000 |
0.017 |
-0.062 |
Rise |
0.000 |
3.552 |
11.220 |
0.000 |
0.064 |
-0.233 |
Tilt |
-0.052 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.017 |
0.064 |
0.000 |
0.027 |
0.010 |
Twist |
0.000 |
-0.062 |
-0.233 |
0.000 |
0.010 |
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 |
1.240 |
0.000 |
0.000 |
-0.037 |
0.000 |
0.000 |
Slide |
0.000 |
3.835 |
3.118 |
0.000 |
-0.015 |
-0.090 |
Rise |
0.000 |
3.118 |
10.866 |
0.000 |
0.033 |
-0.257 |
Tilt |
-0.037 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.015 |
0.033 |
0.000 |
0.027 |
0.012 |
Twist |
0.000 |
-0.090 |
-0.257 |
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 |
0.860 |
0.000 |
0.000 |
-0.084 |
0.000 |
0.000 |
Slide |
0.000 |
2.428 |
1.523 |
0.000 |
-0.069 |
-0.082 |
Rise |
0.000 |
1.523 |
8.432 |
0.000 |
-0.083 |
-0.214 |
Tilt |
-0.084 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.069 |
-0.083 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.082 |
-0.214 |
0.000 |
0.007 |
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 |
0.923 |
0.000 |
0.000 |
0.014 |
0.000 |
0.000 |
Slide |
0.000 |
4.608 |
2.726 |
0.000 |
-0.018 |
-0.071 |
Rise |
0.000 |
2.726 |
11.065 |
0.000 |
0.091 |
-0.146 |
Tilt |
0.014 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.018 |
0.091 |
0.000 |
0.024 |
0.010 |
Twist |
0.000 |
-0.071 |
-0.146 |
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 |
0.665 |
0.000 |
0.000 |
-0.077 |
0.000 |
0.000 |
Slide |
0.000 |
2.522 |
1.151 |
0.000 |
0.027 |
-0.104 |
Rise |
0.000 |
1.151 |
6.938 |
0.000 |
-0.077 |
-0.198 |
Tilt |
-0.077 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.027 |
-0.077 |
0.000 |
0.015 |
0.006 |
Twist |
0.000 |
-0.104 |
-0.198 |
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 |
1.096 |
0.000 |
0.000 |
-0.135 |
0.000 |
0.000 |
Slide |
0.000 |
2.824 |
0.484 |
0.000 |
0.021 |
-0.110 |
Rise |
0.000 |
0.484 |
8.685 |
0.000 |
-0.072 |
-0.232 |
Tilt |
-0.135 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
-0.072 |
0.000 |
0.018 |
0.007 |
Twist |
0.000 |
-0.110 |
-0.232 |
0.000 |
0.007 |
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 |
1.179 |
0.000 |
0.000 |
-0.145 |
0.000 |
0.000 |
Slide |
0.000 |
2.930 |
1.078 |
0.000 |
0.035 |
-0.093 |
Rise |
0.000 |
1.078 |
7.834 |
0.000 |
-0.058 |
-0.230 |
Tilt |
-0.145 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.035 |
-0.058 |
0.000 |
0.017 |
0.004 |
Twist |
0.000 |
-0.093 |
-0.230 |
0.000 |
0.004 |
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 |
0.840 |
0.000 |
0.000 |
-0.122 |
0.000 |
0.000 |
Slide |
0.000 |
3.100 |
1.532 |
0.000 |
-0.043 |
-0.094 |
Rise |
0.000 |
1.532 |
9.407 |
0.000 |
-0.040 |
-0.151 |
Tilt |
-0.122 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.043 |
-0.040 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.094 |
-0.151 |
0.000 |
0.011 |
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 |
1.082 |
0.000 |
0.000 |
-0.083 |
0.000 |
0.000 |
Slide |
0.000 |
2.157 |
1.405 |
0.000 |
-0.027 |
-0.128 |
Rise |
0.000 |
1.405 |
8.689 |
0.000 |
-0.042 |
-0.186 |
Tilt |
-0.083 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.027 |
-0.042 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.128 |
-0.186 |
0.000 |
0.009 |
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 |
1.205 |
0.000 |
0.000 |
-0.150 |
0.000 |
0.000 |
Slide |
0.000 |
3.242 |
2.652 |
0.000 |
0.063 |
-0.080 |
Rise |
0.000 |
2.652 |
11.573 |
0.000 |
0.134 |
-0.254 |
Tilt |
-0.150 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.063 |
0.133 |
0.000 |
0.027 |
0.008 |
Twist |
0.000 |
-0.080 |
-0.254 |
0.000 |
0.008 |
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 |
1.029 |
0.000 |
0.000 |
-0.132 |
0.000 |
0.000 |
Slide |
0.000 |
1.495 |
1.985 |
0.000 |
-0.020 |
-0.089 |
Rise |
0.000 |
1.985 |
8.241 |
0.000 |
-0.014 |
-0.168 |
Tilt |
-0.132 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.020 |
-0.014 |
0.000 |
0.019 |
0.006 |
Twist |
0.000 |
-0.089 |
-0.168 |
0.000 |
0.006 |
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 |
1.241 |
0.000 |
0.000 |
-0.039 |
0.000 |
0.000 |
Slide |
0.000 |
3.689 |
2.876 |
0.000 |
0.026 |
-0.102 |
Rise |
0.000 |
2.876 |
10.968 |
0.000 |
0.105 |
-0.203 |
Tilt |
-0.039 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.026 |
0.105 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.102 |
-0.203 |
0.000 |
0.008 |
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 |
0.920 |
0.000 |
0.000 |
-0.050 |
0.000 |
0.000 |
Slide |
0.000 |
3.724 |
2.453 |
0.000 |
0.027 |
-0.114 |
Rise |
0.000 |
2.453 |
10.329 |
0.000 |
0.107 |
-0.207 |
Tilt |
-0.050 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.027 |
0.107 |
0.000 |
0.026 |
0.005 |
Twist |
0.000 |
-0.114 |
-0.207 |
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 |
0.474 |
0.000 |
0.000 |
-0.060 |
0.000 |
0.000 |
Slide |
0.000 |
2.518 |
0.865 |
0.000 |
0.028 |
-0.138 |
Rise |
0.000 |
0.865 |
8.592 |
0.000 |
-0.106 |
-0.243 |
Tilt |
-0.060 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.028 |
-0.106 |
0.000 |
0.016 |
0.011 |
Twist |
0.000 |
-0.138 |
-0.243 |
0.000 |
0.011 |
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 |
0.467 |
0.000 |
0.000 |
-0.052 |
0.000 |
0.000 |
Slide |
0.000 |
2.068 |
1.047 |
0.000 |
0.020 |
-0.114 |
Rise |
0.000 |
1.047 |
8.094 |
0.000 |
-0.088 |
-0.238 |
Tilt |
-0.052 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.020 |
-0.088 |
0.000 |
0.016 |
0.011 |
Twist |
0.000 |
-0.114 |
-0.238 |
0.000 |
0.011 |
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 |
0.653 |
0.000 |
0.000 |
-0.088 |
0.000 |
0.000 |
Slide |
0.000 |
3.200 |
0.784 |
0.000 |
0.011 |
-0.142 |
Rise |
0.000 |
0.784 |
8.395 |
0.000 |
-0.125 |
-0.271 |
Tilt |
-0.088 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
-0.125 |
0.000 |
0.020 |
0.010 |
Twist |
0.000 |
-0.142 |
-0.271 |
0.000 |
0.010 |
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)