| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.867 |
0.000 |
0.000 |
-0.090 |
0.000 |
0.000 |
Slide |
0.000 |
2.837 |
1.231 |
0.000 |
-0.072 |
-0.180 |
Rise |
0.000 |
1.231 |
9.099 |
0.000 |
-0.035 |
-0.151 |
Tilt |
-0.090 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.072 |
-0.035 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.180 |
-0.151 |
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 |
0.889 |
0.000 |
0.000 |
-0.030 |
0.000 |
0.000 |
Slide |
0.000 |
4.019 |
2.616 |
0.000 |
0.003 |
-0.125 |
Rise |
0.000 |
2.616 |
11.307 |
0.000 |
0.103 |
-0.219 |
Tilt |
-0.030 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
0.103 |
0.000 |
0.023 |
0.006 |
Twist |
0.000 |
-0.125 |
-0.219 |
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 |
1.067 |
0.000 |
0.000 |
-0.048 |
0.000 |
0.000 |
Slide |
0.000 |
4.365 |
3.448 |
0.000 |
0.021 |
-0.128 |
Rise |
0.000 |
3.448 |
11.874 |
0.000 |
0.113 |
-0.227 |
Tilt |
-0.048 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
0.113 |
0.000 |
0.026 |
0.004 |
Twist |
0.000 |
-0.128 |
-0.227 |
0.000 |
0.004 |
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 |
1.852 |
0.000 |
0.000 |
-0.009 |
0.000 |
0.000 |
Slide |
0.000 |
4.906 |
3.013 |
0.000 |
-0.047 |
-0.140 |
Rise |
0.000 |
3.013 |
11.620 |
0.000 |
0.058 |
-0.136 |
Tilt |
-0.009 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
-0.047 |
0.058 |
0.000 |
0.032 |
0.014 |
Twist |
0.000 |
-0.140 |
-0.136 |
0.000 |
0.014 |
0.058 |
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 |
1.773 |
0.000 |
0.000 |
-0.017 |
0.000 |
0.000 |
Slide |
0.000 |
5.161 |
3.280 |
0.000 |
-0.052 |
-0.146 |
Rise |
0.000 |
3.280 |
12.273 |
0.000 |
0.051 |
-0.175 |
Tilt |
-0.017 |
0.000 |
0.000 |
0.046 |
0.000 |
0.000 |
Roll |
0.000 |
-0.052 |
0.051 |
0.000 |
0.031 |
0.012 |
Twist |
0.000 |
-0.146 |
-0.175 |
0.000 |
0.012 |
0.057 |
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 |
0.582 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
3.117 |
0.687 |
0.000 |
0.020 |
-0.126 |
Rise |
0.000 |
0.687 |
8.502 |
0.000 |
-0.065 |
-0.216 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.020 |
-0.065 |
0.000 |
0.018 |
0.008 |
Twist |
0.000 |
-0.126 |
-0.216 |
0.000 |
0.008 |
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 |
2.230 |
0.000 |
0.000 |
-0.087 |
0.000 |
0.000 |
Slide |
0.000 |
2.710 |
1.802 |
0.000 |
-0.023 |
-0.144 |
Rise |
0.000 |
1.802 |
7.343 |
0.000 |
-0.023 |
-0.132 |
Tilt |
-0.087 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.023 |
-0.023 |
0.000 |
0.022 |
0.007 |
Twist |
0.000 |
-0.144 |
-0.132 |
0.000 |
0.007 |
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 |
0.915 |
0.000 |
0.000 |
-0.107 |
0.000 |
0.000 |
Slide |
0.000 |
2.280 |
1.882 |
0.000 |
-0.035 |
-0.155 |
Rise |
0.000 |
1.882 |
9.527 |
0.000 |
-0.007 |
-0.153 |
Tilt |
-0.107 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.035 |
-0.007 |
0.000 |
0.024 |
0.006 |
Twist |
0.000 |
-0.155 |
-0.153 |
0.000 |
0.006 |
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 |
0.848 |
0.000 |
0.000 |
-0.110 |
0.000 |
0.000 |
Slide |
0.000 |
2.204 |
1.819 |
0.000 |
-0.039 |
-0.150 |
Rise |
0.000 |
1.819 |
9.290 |
0.000 |
-0.005 |
-0.157 |
Tilt |
-0.110 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
-0.005 |
0.000 |
0.022 |
0.006 |
Twist |
0.000 |
-0.150 |
-0.157 |
0.000 |
0.006 |
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 |
1.871 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
2.006 |
1.894 |
0.000 |
-0.013 |
-0.105 |
Rise |
0.000 |
1.894 |
7.488 |
0.000 |
-0.045 |
-0.155 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.013 |
-0.045 |
0.000 |
0.022 |
0.008 |
Twist |
0.000 |
-0.105 |
-0.155 |
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 |
0.974 |
0.000 |
0.000 |
-0.046 |
0.000 |
0.000 |
Slide |
0.000 |
4.212 |
3.349 |
0.000 |
0.028 |
-0.121 |
Rise |
0.000 |
3.349 |
11.273 |
0.000 |
0.112 |
-0.222 |
Tilt |
-0.046 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.028 |
0.112 |
0.000 |
0.025 |
0.004 |
Twist |
0.000 |
-0.121 |
-0.222 |
0.000 |
0.004 |
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 |
0.714 |
0.000 |
0.000 |
-0.026 |
0.000 |
0.000 |
Slide |
0.000 |
3.956 |
2.561 |
0.000 |
0.027 |
-0.111 |
Rise |
0.000 |
2.561 |
10.510 |
0.000 |
0.111 |
-0.191 |
Tilt |
-0.026 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.027 |
0.111 |
0.000 |
0.025 |
0.011 |
Twist |
0.000 |
-0.111 |
-0.191 |
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 |
0.514 |
0.000 |
0.000 |
-0.043 |
0.000 |
0.000 |
Slide |
0.000 |
2.542 |
1.134 |
0.000 |
0.016 |
-0.136 |
Rise |
0.000 |
1.133 |
7.941 |
0.000 |
-0.133 |
-0.236 |
Tilt |
-0.043 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.016 |
-0.133 |
0.000 |
0.020 |
0.015 |
Twist |
0.000 |
-0.136 |
-0.236 |
0.000 |
0.015 |
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 |
0.415 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
2.843 |
0.796 |
0.000 |
0.019 |
-0.152 |
Rise |
0.000 |
0.796 |
8.849 |
0.000 |
-0.118 |
-0.253 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.019 |
-0.118 |
0.000 |
0.019 |
0.012 |
Twist |
0.000 |
-0.152 |
-0.253 |
0.000 |
0.012 |
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 |
0.374 |
0.000 |
0.000 |
-0.052 |
0.000 |
0.000 |
Slide |
0.000 |
2.841 |
0.602 |
0.000 |
0.026 |
-0.147 |
Rise |
0.000 |
0.602 |
8.744 |
0.000 |
-0.106 |
-0.222 |
Tilt |
-0.052 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.026 |
-0.106 |
0.000 |
0.020 |
0.012 |
Twist |
0.000 |
-0.147 |
-0.222 |
0.000 |
0.012 |
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 |
0.558 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
2.957 |
0.490 |
0.000 |
0.026 |
-0.110 |
Rise |
0.000 |
0.491 |
8.342 |
0.000 |
-0.084 |
-0.207 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.026 |
-0.084 |
0.000 |
0.018 |
0.008 |
Twist |
0.000 |
-0.110 |
-0.207 |
0.000 |
0.008 |
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 |
0.845 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
2.710 |
1.415 |
0.000 |
-0.065 |
-0.159 |
Rise |
0.000 |
1.415 |
9.258 |
0.000 |
-0.050 |
-0.162 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.065 |
-0.050 |
0.000 |
0.021 |
0.010 |
Twist |
0.000 |
-0.159 |
-0.162 |
0.000 |
0.010 |
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)