| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.575 |
0.000 |
0.000 |
-0.069 |
0.000 |
0.000 |
Slide |
0.000 |
2.800 |
1.882 |
0.000 |
-0.080 |
-0.093 |
Rise |
0.000 |
1.882 |
8.471 |
0.000 |
-0.053 |
-0.182 |
Tilt |
-0.069 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.080 |
-0.053 |
0.000 |
0.025 |
0.006 |
Twist |
0.000 |
-0.093 |
-0.182 |
0.000 |
0.006 |
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 |
1.406 |
0.000 |
0.000 |
-0.077 |
0.000 |
0.000 |
Slide |
0.000 |
2.517 |
1.840 |
0.000 |
-0.080 |
-0.083 |
Rise |
0.000 |
1.840 |
8.623 |
0.000 |
-0.040 |
-0.159 |
Tilt |
-0.077 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.080 |
-0.040 |
0.000 |
0.023 |
0.006 |
Twist |
0.000 |
-0.083 |
-0.159 |
0.000 |
0.006 |
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 |
1.486 |
0.000 |
0.000 |
-0.060 |
0.000 |
0.000 |
Slide |
0.000 |
2.745 |
1.823 |
0.000 |
-0.069 |
-0.098 |
Rise |
0.000 |
1.823 |
8.356 |
0.000 |
-0.052 |
-0.180 |
Tilt |
-0.060 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.069 |
-0.052 |
0.000 |
0.023 |
0.006 |
Twist |
0.000 |
-0.098 |
-0.180 |
0.000 |
0.006 |
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 |
1.046 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
Slide |
0.000 |
1.666 |
1.787 |
0.000 |
-0.009 |
-0.101 |
Rise |
0.000 |
1.787 |
8.475 |
0.000 |
-0.011 |
-0.158 |
Tilt |
-0.111 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.009 |
-0.011 |
0.000 |
0.021 |
0.005 |
Twist |
0.000 |
-0.101 |
-0.158 |
0.000 |
0.005 |
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 |
1.042 |
0.000 |
0.000 |
-0.106 |
0.000 |
0.000 |
Slide |
0.000 |
3.334 |
0.593 |
0.000 |
0.003 |
-0.148 |
Rise |
0.000 |
0.593 |
8.919 |
0.000 |
-0.120 |
-0.295 |
Tilt |
-0.106 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
-0.120 |
0.000 |
0.021 |
0.010 |
Twist |
0.000 |
-0.148 |
-0.295 |
0.000 |
0.010 |
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 |
1.090 |
0.000 |
0.000 |
-0.127 |
0.000 |
0.000 |
Slide |
0.000 |
3.382 |
0.413 |
0.000 |
0.008 |
-0.140 |
Rise |
0.000 |
0.413 |
8.885 |
0.000 |
-0.089 |
-0.277 |
Tilt |
-0.127 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.089 |
0.000 |
0.020 |
0.008 |
Twist |
0.000 |
-0.140 |
-0.277 |
0.000 |
0.008 |
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 |
0.973 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
Slide |
0.000 |
3.203 |
0.312 |
0.000 |
0.015 |
-0.131 |
Rise |
0.000 |
0.312 |
9.140 |
0.000 |
-0.116 |
-0.281 |
Tilt |
-0.111 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.015 |
-0.116 |
0.000 |
0.021 |
0.009 |
Twist |
0.000 |
-0.131 |
-0.281 |
0.000 |
0.009 |
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 |
1.063 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
2.929 |
0.469 |
0.000 |
0.009 |
-0.130 |
Rise |
0.000 |
0.469 |
8.617 |
0.000 |
-0.110 |
-0.274 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
-0.110 |
0.000 |
0.019 |
0.009 |
Twist |
0.000 |
-0.130 |
-0.274 |
0.000 |
0.009 |
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 |
0.849 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
Slide |
0.000 |
2.682 |
1.219 |
0.000 |
-0.031 |
-0.116 |
Rise |
0.000 |
1.219 |
8.705 |
0.000 |
-0.026 |
-0.187 |
Tilt |
-0.111 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.031 |
-0.026 |
0.000 |
0.025 |
0.011 |
Twist |
0.000 |
-0.116 |
-0.187 |
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 |
0.833 |
0.000 |
0.000 |
-0.109 |
0.000 |
0.000 |
Slide |
0.000 |
2.484 |
1.153 |
0.000 |
-0.028 |
-0.123 |
Rise |
0.000 |
1.153 |
8.939 |
0.000 |
-0.024 |
-0.183 |
Tilt |
-0.109 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.028 |
-0.024 |
0.000 |
0.023 |
0.009 |
Twist |
0.000 |
-0.123 |
-0.183 |
0.000 |
0.009 |
0.031 |
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 |
-0.105 |
0.000 |
0.000 |
Slide |
0.000 |
2.339 |
1.196 |
0.000 |
-0.051 |
-0.138 |
Rise |
0.000 |
1.196 |
8.416 |
0.000 |
-0.035 |
-0.169 |
Tilt |
-0.105 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.051 |
-0.035 |
0.000 |
0.024 |
0.010 |
Twist |
0.000 |
-0.138 |
-0.169 |
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 |
1.502 |
0.000 |
0.000 |
-0.123 |
0.000 |
0.000 |
Slide |
0.000 |
2.623 |
2.375 |
0.000 |
0.046 |
-0.078 |
Rise |
0.000 |
2.375 |
11.563 |
0.000 |
0.130 |
-0.208 |
Tilt |
-0.123 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
0.046 |
0.130 |
0.000 |
0.026 |
0.005 |
Twist |
0.000 |
-0.078 |
-0.208 |
0.000 |
0.005 |
0.044 |
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 |
1.400 |
0.000 |
0.000 |
-0.145 |
0.000 |
0.000 |
Slide |
0.000 |
2.614 |
2.200 |
0.000 |
0.053 |
-0.059 |
Rise |
0.000 |
2.200 |
11.196 |
0.000 |
0.129 |
-0.235 |
Tilt |
-0.145 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
0.053 |
0.129 |
0.000 |
0.026 |
0.007 |
Twist |
0.000 |
-0.059 |
-0.235 |
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 |
1.372 |
0.000 |
0.000 |
-0.136 |
0.000 |
0.000 |
Slide |
0.000 |
2.615 |
2.345 |
0.000 |
0.037 |
-0.077 |
Rise |
0.000 |
2.345 |
11.582 |
0.000 |
0.103 |
-0.232 |
Tilt |
-0.136 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
0.037 |
0.103 |
0.000 |
0.024 |
0.004 |
Twist |
0.000 |
-0.077 |
-0.232 |
0.000 |
0.004 |
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 |
1.013 |
0.000 |
0.000 |
-0.130 |
0.000 |
0.000 |
Slide |
0.000 |
1.625 |
1.868 |
0.000 |
-0.008 |
-0.075 |
Rise |
0.000 |
1.868 |
8.592 |
0.000 |
-0.009 |
-0.178 |
Tilt |
-0.130 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.008 |
-0.009 |
0.000 |
0.022 |
0.007 |
Twist |
0.000 |
-0.075 |
-0.178 |
0.000 |
0.007 |
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)