| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.855 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
2.702 |
1.197 |
0.000 |
-0.050 |
-0.164 |
Rise |
0.000 |
1.197 |
9.273 |
0.000 |
-0.024 |
-0.160 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.050 |
-0.024 |
0.000 |
0.020 |
0.009 |
Twist |
0.000 |
-0.164 |
-0.160 |
0.000 |
0.009 |
0.045 |
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 |
0.942 |
0.000 |
0.000 |
-0.123 |
0.000 |
0.000 |
Slide |
0.000 |
2.657 |
1.671 |
0.000 |
-0.045 |
-0.136 |
Rise |
0.000 |
1.671 |
9.099 |
0.000 |
-0.025 |
-0.203 |
Tilt |
-0.123 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.045 |
-0.025 |
0.000 |
0.021 |
0.005 |
Twist |
0.000 |
-0.136 |
-0.203 |
0.000 |
0.005 |
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 |
1.465 |
0.000 |
0.000 |
0.009 |
0.000 |
0.000 |
Slide |
0.000 |
4.659 |
2.760 |
0.000 |
-0.029 |
-0.115 |
Rise |
0.000 |
2.760 |
11.116 |
0.000 |
0.057 |
-0.144 |
Tilt |
0.009 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.029 |
0.057 |
0.000 |
0.029 |
0.014 |
Twist |
0.000 |
-0.115 |
-0.144 |
0.000 |
0.014 |
0.055 |
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 |
1.357 |
0.000 |
0.000 |
0.012 |
0.000 |
0.000 |
Slide |
0.000 |
4.853 |
3.150 |
0.000 |
-0.027 |
-0.118 |
Rise |
0.000 |
3.150 |
11.213 |
0.000 |
0.057 |
-0.116 |
Tilt |
0.012 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
-0.027 |
0.057 |
0.000 |
0.028 |
0.014 |
Twist |
0.000 |
-0.118 |
-0.116 |
0.000 |
0.014 |
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 |
1.112 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
1.774 |
1.824 |
0.000 |
-0.014 |
-0.098 |
Rise |
0.000 |
1.824 |
9.495 |
0.000 |
-0.022 |
-0.186 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.014 |
-0.022 |
0.000 |
0.022 |
0.007 |
Twist |
0.000 |
-0.098 |
-0.186 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.069 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
Slide |
0.000 |
3.172 |
0.205 |
0.000 |
0.017 |
-0.139 |
Rise |
0.000 |
0.205 |
9.180 |
0.000 |
-0.117 |
-0.277 |
Tilt |
-0.115 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.017 |
-0.117 |
0.000 |
0.020 |
0.009 |
Twist |
0.000 |
-0.139 |
-0.277 |
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 |
0.996 |
0.000 |
0.000 |
-0.105 |
0.000 |
0.000 |
Slide |
0.000 |
3.317 |
0.370 |
0.000 |
-0.003 |
-0.168 |
Rise |
0.000 |
0.370 |
9.598 |
0.000 |
-0.112 |
-0.289 |
Tilt |
-0.105 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.003 |
-0.112 |
0.000 |
0.021 |
0.010 |
Twist |
0.000 |
-0.168 |
-0.289 |
0.000 |
0.010 |
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 |
0.854 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
Slide |
0.000 |
2.457 |
1.686 |
0.000 |
-0.050 |
-0.125 |
Rise |
0.000 |
1.686 |
9.140 |
0.000 |
-0.031 |
-0.213 |
Tilt |
-0.115 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.050 |
-0.031 |
0.000 |
0.021 |
0.006 |
Twist |
0.000 |
-0.125 |
-0.213 |
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 |
0.871 |
0.000 |
0.000 |
-0.108 |
0.000 |
0.000 |
Slide |
0.000 |
2.654 |
0.965 |
0.000 |
-0.025 |
-0.154 |
Rise |
0.000 |
0.965 |
8.747 |
0.000 |
-0.016 |
-0.173 |
Tilt |
-0.108 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.025 |
-0.016 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.154 |
-0.173 |
0.000 |
0.007 |
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 |
2.279 |
0.000 |
0.000 |
-0.124 |
0.000 |
0.000 |
Slide |
0.000 |
3.399 |
3.416 |
0.000 |
0.035 |
-0.128 |
Rise |
0.000 |
3.416 |
12.358 |
0.000 |
0.113 |
-0.259 |
Tilt |
-0.124 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.035 |
0.113 |
0.000 |
0.031 |
0.007 |
Twist |
0.000 |
-0.128 |
-0.259 |
0.000 |
0.007 |
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 |
2.172 |
0.000 |
0.000 |
-0.124 |
0.000 |
0.000 |
Slide |
0.000 |
3.439 |
3.304 |
0.000 |
0.035 |
-0.112 |
Rise |
0.000 |
3.304 |
11.703 |
0.000 |
0.113 |
-0.232 |
Tilt |
-0.124 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.035 |
0.113 |
0.000 |
0.029 |
0.005 |
Twist |
0.000 |
-0.112 |
-0.232 |
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 |
1.124 |
0.000 |
0.000 |
-0.107 |
0.000 |
0.000 |
Slide |
0.000 |
1.841 |
1.778 |
0.000 |
-0.004 |
-0.117 |
Rise |
0.000 |
1.778 |
9.011 |
0.000 |
-0.027 |
-0.184 |
Tilt |
-0.107 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
-0.027 |
0.000 |
0.022 |
0.007 |
Twist |
0.000 |
-0.117 |
-0.184 |
0.000 |
0.007 |
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 |
0.546 |
0.000 |
0.000 |
-0.045 |
0.000 |
0.000 |
Slide |
0.000 |
2.337 |
1.025 |
0.000 |
0.016 |
-0.127 |
Rise |
0.000 |
1.026 |
8.088 |
0.000 |
-0.137 |
-0.246 |
Tilt |
-0.045 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.016 |
-0.137 |
0.000 |
0.019 |
0.014 |
Twist |
0.000 |
-0.127 |
-0.246 |
0.000 |
0.014 |
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 |
0.423 |
0.000 |
0.000 |
-0.054 |
0.000 |
0.000 |
Slide |
0.000 |
2.619 |
1.054 |
0.000 |
0.023 |
-0.135 |
Rise |
0.000 |
1.054 |
7.923 |
0.000 |
-0.079 |
-0.227 |
Tilt |
-0.054 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.023 |
-0.079 |
0.000 |
0.017 |
0.011 |
Twist |
0.000 |
-0.135 |
-0.227 |
0.000 |
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 |
0.390 |
0.000 |
0.000 |
-0.049 |
0.000 |
0.000 |
Slide |
0.000 |
2.264 |
1.005 |
0.000 |
0.026 |
-0.108 |
Rise |
0.000 |
1.005 |
8.101 |
0.000 |
-0.108 |
-0.252 |
Tilt |
-0.049 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.026 |
-0.108 |
0.000 |
0.019 |
0.013 |
Twist |
0.000 |
-0.108 |
-0.252 |
0.000 |
0.013 |
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 |
0.916 |
0.000 |
0.000 |
-0.122 |
0.000 |
0.000 |
Slide |
0.000 |
2.687 |
1.090 |
0.000 |
-0.026 |
-0.098 |
Rise |
0.000 |
1.090 |
9.186 |
0.000 |
-0.024 |
-0.180 |
Tilt |
-0.122 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.026 |
-0.024 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.098 |
-0.180 |
0.000 |
0.011 |
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 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
2.680 |
1.178 |
0.000 |
-0.065 |
-0.179 |
Rise |
0.000 |
1.178 |
9.011 |
0.000 |
-0.036 |
-0.153 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.065 |
-0.036 |
0.000 |
0.019 |
0.006 |
Twist |
0.000 |
-0.179 |
-0.153 |
0.000 |
0.006 |
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)