| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.227 |
0.000 |
0.000 |
-0.130 |
0.000 |
0.000 |
Slide |
0.000 |
1.127 |
0.695 |
0.000 |
0.022 |
-0.001 |
Rise |
0.000 |
0.695 |
5.447 |
0.000 |
-0.052 |
-0.123 |
Tilt |
-0.130 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.022 |
-0.052 |
0.000 |
0.015 |
0.004 |
Twist |
0.000 |
-0.001 |
-0.123 |
0.000 |
0.004 |
0.013 |
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 |
1.880 |
0.000 |
0.000 |
-0.077 |
0.000 |
0.000 |
Slide |
0.000 |
2.858 |
1.745 |
0.000 |
-0.026 |
-0.210 |
Rise |
0.000 |
1.745 |
6.586 |
0.000 |
-0.036 |
-0.185 |
Tilt |
-0.077 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.026 |
-0.036 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.210 |
-0.185 |
0.000 |
0.008 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.121 |
0.000 |
0.000 |
-0.097 |
0.000 |
0.000 |
Slide |
0.000 |
1.970 |
1.657 |
0.000 |
-0.009 |
-0.163 |
Rise |
0.000 |
1.657 |
8.179 |
0.000 |
-0.001 |
-0.165 |
Tilt |
-0.097 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.009 |
-0.001 |
0.000 |
0.021 |
0.006 |
Twist |
0.000 |
-0.163 |
-0.165 |
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 |
1.795 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
2.784 |
1.805 |
0.000 |
-0.027 |
-0.200 |
Rise |
0.000 |
1.805 |
6.670 |
0.000 |
-0.049 |
-0.181 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.027 |
-0.049 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.200 |
-0.181 |
0.000 |
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 |
1.223 |
0.000 |
0.000 |
-0.107 |
0.000 |
0.000 |
Slide |
0.000 |
1.804 |
1.623 |
0.000 |
-0.002 |
-0.153 |
Rise |
0.000 |
1.623 |
7.748 |
0.000 |
-0.011 |
-0.173 |
Tilt |
-0.107 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.002 |
-0.011 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.153 |
-0.173 |
0.000 |
0.008 |
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 |
1.938 |
0.000 |
0.000 |
-0.087 |
0.000 |
0.000 |
Slide |
0.000 |
2.772 |
1.845 |
0.000 |
-0.031 |
-0.200 |
Rise |
0.000 |
1.844 |
6.811 |
0.000 |
-0.043 |
-0.183 |
Tilt |
-0.087 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.031 |
-0.043 |
0.000 |
0.025 |
0.009 |
Twist |
0.000 |
-0.200 |
-0.183 |
0.000 |
0.009 |
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 |
1.144 |
0.000 |
0.000 |
-0.102 |
0.000 |
0.000 |
Slide |
0.000 |
1.869 |
1.470 |
0.000 |
-0.000 |
-0.164 |
Rise |
0.000 |
1.470 |
8.053 |
0.000 |
-0.009 |
-0.161 |
Tilt |
-0.102 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.000 |
-0.009 |
0.000 |
0.022 |
0.007 |
Twist |
0.000 |
-0.164 |
-0.161 |
0.000 |
0.007 |
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 |
1.211 |
0.000 |
0.000 |
-0.032 |
0.000 |
0.000 |
Slide |
0.000 |
3.790 |
2.910 |
0.000 |
0.049 |
-0.191 |
Rise |
0.000 |
2.910 |
11.132 |
0.000 |
0.163 |
-0.203 |
Tilt |
-0.032 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.049 |
0.163 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.191 |
-0.203 |
0.000 |
0.008 |
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 |
1.215 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
3.604 |
2.696 |
0.000 |
0.016 |
-0.164 |
Rise |
0.000 |
2.696 |
10.027 |
0.000 |
0.090 |
-0.212 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.016 |
0.090 |
0.000 |
0.024 |
0.009 |
Twist |
0.000 |
-0.164 |
-0.212 |
0.000 |
0.009 |
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 |
0.985 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
3.474 |
2.304 |
0.000 |
0.039 |
-0.109 |
Rise |
0.000 |
2.304 |
9.744 |
0.000 |
0.116 |
-0.218 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
0.039 |
0.116 |
0.000 |
0.021 |
0.011 |
Twist |
0.000 |
-0.109 |
-0.218 |
0.000 |
0.011 |
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 |
1.190 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
3.585 |
2.798 |
0.000 |
0.038 |
-0.171 |
Rise |
0.000 |
2.798 |
10.844 |
0.000 |
0.155 |
-0.200 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.038 |
0.155 |
0.000 |
0.024 |
0.010 |
Twist |
0.000 |
-0.171 |
-0.200 |
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 |
1.053 |
0.000 |
0.000 |
-0.023 |
0.000 |
0.000 |
Slide |
0.000 |
2.521 |
0.545 |
0.000 |
0.008 |
-0.050 |
Rise |
0.000 |
0.545 |
8.487 |
0.000 |
-0.143 |
-0.230 |
Tilt |
-0.023 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.143 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.050 |
-0.230 |
0.000 |
0.008 |
0.017 |
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 |
0.230 |
0.000 |
0.000 |
0.017 |
0.000 |
0.000 |
Slide |
0.000 |
0.990 |
-0.065 |
0.000 |
0.001 |
-0.027 |
Rise |
0.000 |
-0.064 |
2.082 |
0.000 |
-0.031 |
-0.093 |
Tilt |
0.017 |
0.000 |
0.000 |
0.005 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.031 |
0.000 |
0.004 |
-0.001 |
Twist |
0.000 |
-0.027 |
-0.093 |
0.000 |
-0.001 |
0.010 |
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 |
0.953 |
0.000 |
0.000 |
-0.037 |
0.000 |
0.000 |
Slide |
0.000 |
2.321 |
0.601 |
0.000 |
0.023 |
-0.059 |
Rise |
0.000 |
0.601 |
8.106 |
0.000 |
-0.125 |
-0.249 |
Tilt |
-0.037 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.023 |
-0.125 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.059 |
-0.249 |
0.000 |
0.009 |
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 |
1.069 |
0.000 |
0.000 |
-0.013 |
0.000 |
0.000 |
Slide |
0.000 |
2.505 |
0.580 |
0.000 |
0.013 |
-0.043 |
Rise |
0.000 |
0.580 |
8.418 |
0.000 |
-0.135 |
-0.235 |
Tilt |
-0.013 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.135 |
0.000 |
0.022 |
0.007 |
Twist |
0.000 |
-0.043 |
-0.235 |
0.000 |
0.007 |
0.017 |
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)