| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.415 |
0.000 |
0.000 |
-0.067 |
0.000 |
0.000 |
Slide |
0.000 |
2.738 |
1.036 |
0.000 |
-0.075 |
-0.143 |
Rise |
0.000 |
1.036 |
8.587 |
0.000 |
-0.059 |
-0.163 |
Tilt |
-0.067 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.075 |
-0.059 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.143 |
-0.163 |
0.000 |
0.010 |
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 |
1.036 |
0.000 |
0.000 |
-0.113 |
0.000 |
0.000 |
Slide |
0.000 |
2.723 |
0.996 |
0.000 |
-0.061 |
-0.181 |
Rise |
0.000 |
0.996 |
8.816 |
0.000 |
-0.028 |
-0.171 |
Tilt |
-0.113 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.061 |
-0.028 |
0.000 |
0.023 |
0.009 |
Twist |
0.000 |
-0.181 |
-0.171 |
0.000 |
0.009 |
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 |
1.005 |
0.000 |
0.000 |
-0.035 |
0.000 |
0.000 |
Slide |
0.000 |
3.684 |
3.224 |
0.000 |
0.009 |
-0.099 |
Rise |
0.000 |
3.224 |
11.850 |
0.000 |
0.138 |
-0.219 |
Tilt |
-0.035 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
0.138 |
0.000 |
0.028 |
0.010 |
Twist |
0.000 |
-0.099 |
-0.219 |
0.000 |
0.010 |
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 |
0.753 |
0.000 |
0.000 |
-0.035 |
0.000 |
0.000 |
Slide |
0.000 |
3.652 |
3.021 |
0.000 |
0.052 |
-0.104 |
Rise |
0.000 |
3.021 |
10.745 |
0.000 |
0.080 |
-0.225 |
Tilt |
-0.035 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.052 |
0.080 |
0.000 |
0.023 |
0.004 |
Twist |
0.000 |
-0.104 |
-0.225 |
0.000 |
0.004 |
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 |
2.510 |
0.000 |
0.000 |
-0.025 |
0.000 |
0.000 |
Slide |
0.000 |
5.537 |
2.949 |
0.000 |
-0.038 |
-0.166 |
Rise |
0.000 |
2.949 |
10.601 |
0.000 |
0.043 |
-0.156 |
Tilt |
-0.025 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
-0.038 |
0.043 |
0.000 |
0.034 |
0.009 |
Twist |
0.000 |
-0.166 |
-0.156 |
0.000 |
0.009 |
0.061 |
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 |
0.642 |
0.000 |
0.000 |
-0.085 |
0.000 |
0.000 |
Slide |
0.000 |
3.150 |
0.666 |
0.000 |
0.015 |
-0.128 |
Rise |
0.000 |
0.666 |
8.832 |
0.000 |
-0.141 |
-0.245 |
Tilt |
-0.085 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.015 |
-0.141 |
0.000 |
0.020 |
0.010 |
Twist |
0.000 |
-0.128 |
-0.245 |
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 |
0.826 |
0.000 |
0.000 |
-0.056 |
0.000 |
0.000 |
Slide |
0.000 |
2.132 |
1.460 |
0.000 |
0.014 |
-0.090 |
Rise |
0.000 |
1.460 |
6.779 |
0.000 |
-0.093 |
-0.217 |
Tilt |
-0.056 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
-0.093 |
0.000 |
0.018 |
0.008 |
Twist |
0.000 |
-0.090 |
-0.217 |
0.000 |
0.008 |
0.021 |
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 |
1.273 |
0.000 |
0.000 |
-0.103 |
0.000 |
0.000 |
Slide |
0.000 |
1.739 |
1.846 |
0.000 |
0.009 |
-0.098 |
Rise |
0.000 |
1.846 |
7.727 |
0.000 |
-0.029 |
-0.164 |
Tilt |
-0.103 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
-0.029 |
0.000 |
0.019 |
0.003 |
Twist |
0.000 |
-0.098 |
-0.164 |
0.000 |
0.003 |
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 |
1.477 |
0.000 |
0.000 |
-0.106 |
0.000 |
0.000 |
Slide |
0.000 |
1.795 |
1.862 |
0.000 |
0.006 |
-0.102 |
Rise |
0.000 |
1.862 |
7.134 |
0.000 |
-0.027 |
-0.195 |
Tilt |
-0.106 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
-0.027 |
0.000 |
0.022 |
0.005 |
Twist |
0.000 |
-0.102 |
-0.195 |
0.000 |
0.005 |
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 |
0.753 |
0.000 |
0.000 |
-0.076 |
0.000 |
0.000 |
Slide |
0.000 |
2.018 |
1.355 |
0.000 |
-0.049 |
-0.118 |
Rise |
0.000 |
1.355 |
7.896 |
0.000 |
-0.038 |
-0.160 |
Tilt |
-0.076 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.049 |
-0.038 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.118 |
-0.160 |
0.000 |
0.011 |
0.024 |
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 |
0.868 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
2.666 |
1.624 |
0.000 |
-0.042 |
-0.083 |
Rise |
0.000 |
1.624 |
8.928 |
0.000 |
-0.025 |
-0.147 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.042 |
-0.025 |
0.000 |
0.024 |
0.010 |
Twist |
0.000 |
-0.083 |
-0.147 |
0.000 |
0.010 |
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 |
0.702 |
0.000 |
0.000 |
-0.082 |
0.000 |
0.000 |
Slide |
0.000 |
2.728 |
0.770 |
0.000 |
0.008 |
-0.131 |
Rise |
0.000 |
0.770 |
7.963 |
0.000 |
-0.100 |
-0.228 |
Tilt |
-0.082 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.100 |
0.000 |
0.017 |
0.009 |
Twist |
0.000 |
-0.131 |
-0.228 |
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)