| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.850 |
0.000 |
0.000 |
-0.099 |
0.000 |
0.000 |
Slide |
0.000 |
2.927 |
1.806 |
0.000 |
-0.036 |
-0.160 |
Rise |
0.000 |
1.806 |
10.077 |
0.000 |
-0.016 |
-0.187 |
Tilt |
-0.099 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.036 |
-0.016 |
0.000 |
0.022 |
0.007 |
Twist |
0.000 |
-0.160 |
-0.187 |
0.000 |
0.007 |
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 |
0.908 |
0.000 |
0.000 |
-0.105 |
0.000 |
0.000 |
Slide |
0.000 |
2.991 |
2.045 |
0.000 |
-0.029 |
-0.160 |
Rise |
0.000 |
2.045 |
9.457 |
0.000 |
-0.036 |
-0.184 |
Tilt |
-0.105 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.029 |
-0.036 |
0.000 |
0.021 |
0.005 |
Twist |
0.000 |
-0.160 |
-0.184 |
0.000 |
0.005 |
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 |
0.870 |
0.000 |
0.000 |
-0.090 |
0.000 |
0.000 |
Slide |
0.000 |
2.865 |
1.745 |
0.000 |
-0.043 |
-0.160 |
Rise |
0.000 |
1.745 |
9.592 |
0.000 |
-0.028 |
-0.180 |
Tilt |
-0.090 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.043 |
-0.028 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.160 |
-0.180 |
0.000 |
0.008 |
0.035 |
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 |
1.860 |
0.000 |
0.000 |
-0.026 |
0.000 |
0.000 |
Slide |
0.000 |
2.383 |
1.864 |
0.000 |
-0.005 |
-0.113 |
Rise |
0.000 |
1.864 |
7.175 |
0.000 |
-0.003 |
-0.148 |
Tilt |
-0.026 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
-0.005 |
-0.003 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.113 |
-0.148 |
0.000 |
0.008 |
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 |
0.862 |
0.000 |
0.000 |
-0.104 |
0.000 |
0.000 |
Slide |
0.000 |
2.888 |
1.647 |
0.000 |
-0.036 |
-0.153 |
Rise |
0.000 |
1.647 |
10.136 |
0.000 |
-0.008 |
-0.174 |
Tilt |
-0.104 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.036 |
-0.008 |
0.000 |
0.021 |
0.007 |
Twist |
0.000 |
-0.153 |
-0.174 |
0.000 |
0.007 |
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 |
1.214 |
0.000 |
0.000 |
-0.144 |
0.000 |
0.000 |
Slide |
0.000 |
2.695 |
1.801 |
0.000 |
-0.030 |
-0.154 |
Rise |
0.000 |
1.801 |
9.208 |
0.000 |
-0.036 |
-0.203 |
Tilt |
-0.144 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.030 |
-0.036 |
0.000 |
0.023 |
0.004 |
Twist |
0.000 |
-0.154 |
-0.203 |
0.000 |
0.004 |
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 |
0.945 |
0.000 |
0.000 |
-0.019 |
0.000 |
0.000 |
Slide |
0.000 |
3.630 |
1.843 |
0.000 |
-0.082 |
-0.255 |
Rise |
0.000 |
1.842 |
8.497 |
0.000 |
0.007 |
-0.148 |
Tilt |
-0.019 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.082 |
0.007 |
0.000 |
0.026 |
0.004 |
Twist |
0.000 |
-0.255 |
-0.148 |
0.000 |
0.004 |
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 |
0.923 |
0.000 |
0.000 |
-0.109 |
0.000 |
0.000 |
Slide |
0.000 |
2.991 |
1.642 |
0.000 |
-0.031 |
-0.149 |
Rise |
0.000 |
1.642 |
10.101 |
0.000 |
-0.019 |
-0.186 |
Tilt |
-0.109 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.031 |
-0.019 |
0.000 |
0.021 |
0.007 |
Twist |
0.000 |
-0.149 |
-0.186 |
0.000 |
0.007 |
0.035 |
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 |
2.698 |
0.000 |
0.000 |
-0.129 |
0.000 |
0.000 |
Slide |
0.000 |
3.573 |
2.943 |
0.000 |
0.040 |
-0.164 |
Rise |
0.000 |
2.943 |
12.275 |
0.000 |
0.115 |
-0.216 |
Tilt |
-0.129 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
0.040 |
0.115 |
0.000 |
0.032 |
0.006 |
Twist |
0.000 |
-0.164 |
-0.216 |
0.000 |
0.006 |
0.049 |
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 |
2.839 |
0.000 |
0.000 |
-0.118 |
0.000 |
0.000 |
Slide |
0.000 |
3.768 |
2.820 |
0.000 |
0.040 |
-0.175 |
Rise |
0.000 |
2.820 |
11.625 |
0.000 |
0.107 |
-0.210 |
Tilt |
-0.118 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.040 |
0.107 |
0.000 |
0.032 |
0.006 |
Twist |
0.000 |
-0.175 |
-0.210 |
0.000 |
0.006 |
0.053 |
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 |
2.854 |
0.000 |
0.000 |
-0.136 |
0.000 |
0.000 |
Slide |
0.000 |
3.720 |
2.984 |
0.000 |
0.030 |
-0.167 |
Rise |
0.000 |
2.985 |
12.040 |
0.000 |
0.116 |
-0.212 |
Tilt |
-0.136 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
0.030 |
0.116 |
0.000 |
0.032 |
0.005 |
Twist |
0.000 |
-0.167 |
-0.212 |
0.000 |
0.005 |
0.049 |
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 |
0.412 |
0.000 |
0.000 |
-0.039 |
0.000 |
0.000 |
Slide |
0.000 |
3.241 |
0.321 |
0.000 |
0.024 |
-0.172 |
Rise |
0.000 |
0.321 |
10.022 |
0.000 |
-0.158 |
-0.256 |
Tilt |
-0.039 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.024 |
-0.158 |
0.000 |
0.024 |
0.016 |
Twist |
0.000 |
-0.172 |
-0.256 |
0.000 |
0.016 |
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 |
0.490 |
0.000 |
0.000 |
-0.049 |
0.000 |
0.000 |
Slide |
0.000 |
3.183 |
0.263 |
0.000 |
0.029 |
-0.172 |
Rise |
0.000 |
0.263 |
9.031 |
0.000 |
-0.150 |
-0.240 |
Tilt |
-0.049 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.029 |
-0.150 |
0.000 |
0.022 |
0.016 |
Twist |
0.000 |
-0.172 |
-0.240 |
0.000 |
0.016 |
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 |
0.414 |
0.000 |
0.000 |
-0.039 |
0.000 |
0.000 |
Slide |
0.000 |
3.072 |
0.578 |
0.000 |
0.018 |
-0.168 |
Rise |
0.000 |
0.579 |
9.535 |
0.000 |
-0.139 |
-0.264 |
Tilt |
-0.039 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.018 |
-0.139 |
0.000 |
0.022 |
0.015 |
Twist |
0.000 |
-0.168 |
-0.263 |
0.000 |
0.015 |
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 |
0.829 |
0.000 |
0.000 |
-0.076 |
0.000 |
0.000 |
Slide |
0.000 |
2.836 |
0.653 |
0.000 |
0.001 |
-0.132 |
Rise |
0.000 |
0.653 |
7.592 |
0.000 |
-0.072 |
-0.187 |
Tilt |
-0.076 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.072 |
0.000 |
0.018 |
0.009 |
Twist |
0.000 |
-0.132 |
-0.187 |
0.000 |
0.009 |
0.023 |
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)