| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.458 |
0.000 |
0.000 |
-0.067 |
0.000 |
0.000 |
Slide |
0.000 |
3.142 |
1.444 |
0.000 |
-0.057 |
-0.193 |
Rise |
0.000 |
1.444 |
8.076 |
0.000 |
-0.044 |
-0.160 |
Tilt |
-0.067 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.056 |
-0.044 |
0.000 |
0.024 |
0.005 |
Twist |
0.000 |
-0.193 |
-0.160 |
0.000 |
0.005 |
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 |
2.336 |
0.000 |
0.000 |
0.005 |
0.000 |
0.000 |
Slide |
0.000 |
5.593 |
2.645 |
0.000 |
-0.003 |
-0.199 |
Rise |
0.000 |
2.645 |
11.058 |
0.000 |
0.064 |
-0.155 |
Tilt |
0.005 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
-0.003 |
0.064 |
0.000 |
0.036 |
0.006 |
Twist |
0.000 |
-0.199 |
-0.155 |
0.000 |
0.006 |
0.066 |
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 |
0.972 |
0.000 |
0.000 |
-0.110 |
0.000 |
0.000 |
Slide |
0.000 |
2.738 |
0.311 |
0.000 |
0.004 |
-0.129 |
Rise |
0.000 |
0.311 |
7.988 |
0.000 |
-0.088 |
-0.225 |
Tilt |
-0.110 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
-0.088 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.129 |
-0.225 |
0.000 |
0.007 |
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 |
0.960 |
0.000 |
0.000 |
-0.116 |
0.000 |
0.000 |
Slide |
0.000 |
2.710 |
0.462 |
0.000 |
0.005 |
-0.130 |
Rise |
0.000 |
0.461 |
8.304 |
0.000 |
-0.086 |
-0.240 |
Tilt |
-0.116 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.005 |
-0.086 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.130 |
-0.240 |
0.000 |
0.007 |
0.025 |
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 |
0.856 |
0.000 |
0.000 |
-0.089 |
0.000 |
0.000 |
Slide |
0.000 |
2.145 |
1.532 |
0.000 |
-0.036 |
-0.136 |
Rise |
0.000 |
1.532 |
8.210 |
0.000 |
-0.057 |
-0.184 |
Tilt |
-0.089 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.036 |
-0.057 |
0.000 |
0.023 |
0.010 |
Twist |
0.000 |
-0.136 |
-0.184 |
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 |
1.077 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
Slide |
0.000 |
3.113 |
2.160 |
0.000 |
0.070 |
-0.087 |
Rise |
0.000 |
2.160 |
10.535 |
0.000 |
0.135 |
-0.223 |
Tilt |
-0.115 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.070 |
0.135 |
0.000 |
0.024 |
0.005 |
Twist |
0.000 |
-0.087 |
-0.223 |
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 |
0.981 |
0.000 |
0.000 |
-0.106 |
0.000 |
0.000 |
Slide |
0.000 |
3.300 |
2.313 |
0.000 |
0.068 |
-0.078 |
Rise |
0.000 |
2.313 |
10.615 |
0.000 |
0.128 |
-0.204 |
Tilt |
-0.106 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.068 |
0.128 |
0.000 |
0.024 |
0.004 |
Twist |
0.000 |
-0.078 |
-0.204 |
0.000 |
0.004 |
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 |
0.801 |
0.000 |
0.000 |
-0.083 |
0.000 |
0.000 |
Slide |
0.000 |
2.131 |
1.408 |
0.000 |
-0.036 |
-0.125 |
Rise |
0.000 |
1.408 |
8.032 |
0.000 |
-0.050 |
-0.179 |
Tilt |
-0.083 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.036 |
-0.050 |
0.000 |
0.023 |
0.009 |
Twist |
0.000 |
-0.125 |
-0.179 |
0.000 |
0.009 |
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 |
1.355 |
0.000 |
0.000 |
-0.069 |
0.000 |
0.000 |
Slide |
0.000 |
3.024 |
1.294 |
0.000 |
-0.067 |
-0.187 |
Rise |
0.000 |
1.294 |
8.065 |
0.000 |
-0.053 |
-0.163 |
Tilt |
-0.069 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.067 |
-0.053 |
0.000 |
0.026 |
0.007 |
Twist |
0.000 |
-0.187 |
-0.163 |
0.000 |
0.007 |
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)