| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.555 |
0.326 |
0.521 |
-0.042 |
-0.013 |
0.047 |
Slide |
0.326 |
2.740 |
1.293 |
-0.027 |
-0.098 |
-0.109 |
Rise |
0.521 |
1.293 |
10.899 |
-0.281 |
-0.069 |
-0.221 |
Tilt |
-0.042 |
-0.027 |
-0.281 |
0.047 |
0.000 |
0.006 |
Roll |
-0.013 |
-0.098 |
-0.069 |
0.000 |
0.024 |
0.010 |
Twist |
0.047 |
-0.109 |
-0.221 |
0.006 |
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 |
1.427 |
-0.407 |
0.500 |
-0.063 |
0.017 |
0.026 |
Slide |
-0.407 |
4.142 |
2.953 |
-0.051 |
0.024 |
-0.075 |
Rise |
0.500 |
2.953 |
11.273 |
0.030 |
0.106 |
-0.200 |
Tilt |
-0.063 |
-0.051 |
0.030 |
0.047 |
0.006 |
0.006 |
Roll |
0.017 |
0.024 |
0.106 |
0.006 |
0.029 |
0.012 |
Twist |
0.026 |
-0.075 |
-0.200 |
0.006 |
0.012 |
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 |
1.850 |
0.546 |
0.579 |
-0.083 |
0.037 |
0.085 |
Slide |
0.546 |
2.793 |
1.781 |
-0.010 |
-0.026 |
-0.105 |
Rise |
0.579 |
1.781 |
9.172 |
-0.211 |
-0.053 |
-0.211 |
Tilt |
-0.083 |
-0.010 |
-0.211 |
0.049 |
0.004 |
0.009 |
Roll |
0.037 |
-0.026 |
-0.053 |
0.004 |
0.021 |
0.006 |
Twist |
0.085 |
-0.105 |
-0.211 |
0.009 |
0.006 |
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 |
1.407 |
0.205 |
0.050 |
0.004 |
0.001 |
-0.011 |
Slide |
0.205 |
4.974 |
3.163 |
0.015 |
-0.087 |
-0.087 |
Rise |
0.050 |
3.163 |
11.772 |
0.033 |
0.059 |
-0.156 |
Tilt |
0.004 |
0.015 |
0.033 |
0.046 |
-0.001 |
0.001 |
Roll |
0.001 |
-0.087 |
0.059 |
-0.001 |
0.031 |
0.016 |
Twist |
-0.011 |
-0.087 |
-0.156 |
0.001 |
0.016 |
0.043 |
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 |
0.853 |
0.260 |
0.148 |
-0.097 |
0.011 |
-0.048 |
Slide |
0.260 |
2.904 |
1.140 |
-0.001 |
0.026 |
-0.121 |
Rise |
0.148 |
1.140 |
7.558 |
0.030 |
-0.074 |
-0.217 |
Tilt |
-0.097 |
-0.001 |
0.030 |
0.031 |
-0.001 |
0.002 |
Roll |
0.011 |
0.026 |
-0.074 |
-0.001 |
0.016 |
0.007 |
Twist |
-0.048 |
-0.121 |
-0.217 |
0.002 |
0.007 |
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 |
1.334 |
-0.327 |
-0.051 |
-0.122 |
0.013 |
-0.019 |
Slide |
-0.327 |
3.578 |
0.539 |
0.010 |
-0.012 |
-0.162 |
Rise |
-0.051 |
0.539 |
8.643 |
-0.020 |
-0.084 |
-0.264 |
Tilt |
-0.122 |
0.010 |
-0.020 |
0.035 |
-0.000 |
-0.002 |
Roll |
0.013 |
-0.012 |
-0.084 |
-0.000 |
0.017 |
0.008 |
Twist |
-0.019 |
-0.162 |
-0.264 |
-0.002 |
0.008 |
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 |
1.323 |
-0.056 |
0.153 |
-0.165 |
-0.007 |
-0.020 |
Slide |
-0.056 |
3.040 |
1.182 |
-0.002 |
0.024 |
-0.099 |
Rise |
0.153 |
1.182 |
7.525 |
-0.007 |
-0.050 |
-0.194 |
Tilt |
-0.165 |
-0.002 |
-0.007 |
0.037 |
-0.000 |
0.002 |
Roll |
-0.007 |
0.024 |
-0.050 |
-0.000 |
0.015 |
0.003 |
Twist |
-0.020 |
-0.099 |
-0.194 |
0.002 |
0.003 |
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 |
1.676 |
-0.698 |
-0.584 |
-0.066 |
-0.023 |
-0.062 |
Slide |
-0.698 |
2.587 |
1.585 |
-0.012 |
-0.032 |
-0.097 |
Rise |
-0.584 |
1.585 |
9.599 |
0.235 |
-0.010 |
-0.204 |
Tilt |
-0.066 |
-0.012 |
0.235 |
0.049 |
-0.001 |
-0.009 |
Roll |
-0.023 |
-0.032 |
-0.010 |
-0.001 |
0.022 |
0.008 |
Twist |
-0.062 |
-0.097 |
-0.204 |
-0.009 |
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 |
2.101 |
0.769 |
0.638 |
-0.112 |
0.001 |
-0.057 |
Slide |
0.769 |
3.210 |
0.985 |
0.054 |
-0.047 |
-0.131 |
Rise |
0.639 |
0.985 |
11.436 |
-0.324 |
0.002 |
-0.161 |
Tilt |
-0.112 |
0.054 |
-0.324 |
0.048 |
-0.004 |
-0.000 |
Roll |
0.001 |
-0.047 |
0.002 |
-0.004 |
0.026 |
0.011 |
Twist |
-0.057 |
-0.131 |
-0.161 |
-0.000 |
0.011 |
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 |
1.307 |
0.483 |
0.646 |
-0.092 |
0.027 |
0.004 |
Slide |
0.483 |
2.678 |
1.252 |
0.017 |
-0.041 |
-0.124 |
Rise |
0.646 |
1.252 |
10.380 |
-0.311 |
-0.019 |
-0.177 |
Tilt |
-0.092 |
0.017 |
-0.311 |
0.045 |
-0.004 |
0.003 |
Roll |
0.027 |
-0.041 |
-0.019 |
-0.004 |
0.022 |
0.011 |
Twist |
0.004 |
-0.124 |
-0.177 |
0.003 |
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 |
2.001 |
-0.443 |
0.147 |
-0.118 |
0.001 |
0.031 |
Slide |
-0.443 |
2.704 |
2.571 |
0.003 |
0.030 |
-0.078 |
Rise |
0.147 |
2.571 |
12.009 |
0.042 |
0.110 |
-0.212 |
Tilt |
-0.118 |
0.003 |
0.042 |
0.043 |
0.001 |
-0.001 |
Roll |
0.001 |
0.030 |
0.110 |
0.001 |
0.028 |
0.007 |
Twist |
0.031 |
-0.078 |
-0.212 |
-0.001 |
0.007 |
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 |
1.788 |
-0.479 |
0.079 |
-0.137 |
-0.001 |
0.020 |
Slide |
-0.479 |
3.127 |
3.142 |
-0.005 |
0.047 |
-0.047 |
Rise |
0.079 |
3.142 |
12.010 |
0.008 |
0.118 |
-0.220 |
Tilt |
-0.137 |
-0.005 |
0.008 |
0.042 |
0.000 |
0.000 |
Roll |
-0.001 |
0.047 |
0.118 |
0.000 |
0.028 |
0.008 |
Twist |
0.020 |
-0.047 |
-0.220 |
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 |
1.607 |
0.436 |
0.152 |
-0.109 |
0.018 |
0.001 |
Slide |
0.436 |
1.803 |
1.084 |
0.058 |
-0.024 |
-0.083 |
Rise |
0.152 |
1.084 |
10.266 |
-0.267 |
-0.045 |
-0.225 |
Tilt |
-0.109 |
0.058 |
-0.267 |
0.050 |
-0.001 |
0.003 |
Roll |
0.018 |
-0.024 |
-0.045 |
-0.001 |
0.021 |
0.006 |
Twist |
0.001 |
-0.083 |
-0.225 |
0.003 |
0.006 |
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 |
0.785 |
0.057 |
-0.460 |
-0.077 |
0.008 |
0.008 |
Slide |
0.057 |
3.141 |
0.832 |
-0.026 |
-0.001 |
-0.167 |
Rise |
-0.460 |
0.832 |
8.118 |
0.004 |
-0.075 |
-0.223 |
Tilt |
-0.077 |
-0.026 |
0.004 |
0.030 |
-0.000 |
-0.002 |
Roll |
0.008 |
-0.001 |
-0.075 |
-0.000 |
0.018 |
0.009 |
Twist |
0.008 |
-0.167 |
-0.223 |
-0.002 |
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 |
0.850 |
-0.152 |
-0.088 |
-0.088 |
0.011 |
0.045 |
Slide |
-0.152 |
2.760 |
0.811 |
-0.020 |
0.009 |
-0.123 |
Rise |
-0.088 |
0.811 |
7.324 |
-0.059 |
-0.073 |
-0.194 |
Tilt |
-0.088 |
-0.020 |
-0.059 |
0.030 |
0.000 |
-0.001 |
Roll |
0.011 |
0.009 |
-0.073 |
0.000 |
0.016 |
0.009 |
Twist |
0.045 |
-0.123 |
-0.194 |
-0.001 |
0.009 |
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)