| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.880 |
0.000 |
0.000 |
-0.103 |
0.000 |
0.000 |
Slide |
0.000 |
2.913 |
1.014 |
0.000 |
-0.041 |
-0.172 |
Rise |
0.000 |
1.013 |
9.774 |
0.000 |
-0.027 |
-0.165 |
Tilt |
-0.103 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.041 |
-0.027 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.172 |
-0.165 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.942 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
2.964 |
0.989 |
0.000 |
-0.039 |
-0.185 |
Rise |
0.000 |
0.989 |
9.664 |
0.000 |
0.006 |
-0.155 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
0.006 |
0.000 |
0.024 |
0.009 |
Twist |
0.000 |
-0.185 |
-0.155 |
0.000 |
0.009 |
0.052 |
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 |
1.147 |
0.000 |
0.000 |
-0.032 |
0.000 |
0.000 |
Slide |
0.000 |
3.824 |
2.975 |
0.000 |
0.017 |
-0.075 |
Rise |
0.000 |
2.975 |
10.513 |
0.000 |
0.073 |
-0.187 |
Tilt |
-0.032 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
0.017 |
0.073 |
0.000 |
0.029 |
0.011 |
Twist |
0.000 |
-0.075 |
-0.187 |
0.000 |
0.011 |
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 |
0.563 |
0.000 |
0.000 |
-0.021 |
0.000 |
0.000 |
Slide |
0.000 |
4.029 |
3.218 |
0.000 |
0.054 |
-0.092 |
Rise |
0.000 |
3.218 |
10.885 |
0.000 |
0.096 |
-0.221 |
Tilt |
-0.021 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.054 |
0.096 |
0.000 |
0.022 |
0.006 |
Twist |
0.000 |
-0.092 |
-0.221 |
0.000 |
0.006 |
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 |
0.765 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
3.916 |
3.085 |
0.000 |
0.050 |
-0.050 |
Rise |
0.000 |
3.085 |
11.169 |
0.000 |
0.114 |
-0.235 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.050 |
0.114 |
0.000 |
0.030 |
0.012 |
Twist |
0.000 |
-0.050 |
-0.235 |
0.000 |
0.012 |
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 |
0.929 |
0.000 |
0.000 |
-0.068 |
0.000 |
0.000 |
Slide |
0.000 |
2.379 |
1.847 |
0.000 |
-0.053 |
-0.121 |
Rise |
0.000 |
1.847 |
8.768 |
0.000 |
-0.007 |
-0.217 |
Tilt |
-0.068 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
-0.007 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.121 |
-0.217 |
0.000 |
0.007 |
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 |
0.707 |
0.000 |
0.000 |
-0.052 |
0.000 |
0.000 |
Slide |
0.000 |
2.397 |
1.522 |
0.000 |
-0.056 |
-0.088 |
Rise |
0.000 |
1.522 |
8.156 |
0.000 |
-0.044 |
-0.194 |
Tilt |
-0.052 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.056 |
-0.044 |
0.000 |
0.014 |
0.009 |
Twist |
0.000 |
-0.088 |
-0.194 |
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 |
0.800 |
0.000 |
0.000 |
-0.067 |
0.000 |
0.000 |
Slide |
0.000 |
2.371 |
1.965 |
0.000 |
-0.034 |
-0.131 |
Rise |
0.000 |
1.965 |
9.236 |
0.000 |
-0.016 |
-0.189 |
Tilt |
-0.067 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.034 |
-0.016 |
0.000 |
0.022 |
0.007 |
Twist |
0.000 |
-0.131 |
-0.189 |
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 |
1.296 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Slide |
0.000 |
4.836 |
2.963 |
0.000 |
-0.052 |
-0.052 |
Rise |
0.000 |
2.963 |
11.865 |
0.000 |
0.076 |
-0.145 |
Tilt |
0.024 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.052 |
0.076 |
0.000 |
0.028 |
0.016 |
Twist |
0.000 |
-0.052 |
-0.145 |
0.000 |
0.016 |
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 |
1.335 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Slide |
0.000 |
4.349 |
2.797 |
0.000 |
-0.065 |
-0.054 |
Rise |
0.000 |
2.797 |
10.832 |
0.000 |
0.040 |
-0.148 |
Tilt |
0.024 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.065 |
0.040 |
0.000 |
0.030 |
0.014 |
Twist |
0.000 |
-0.054 |
-0.148 |
0.000 |
0.014 |
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 |
2.956 |
0.000 |
0.000 |
-0.046 |
0.000 |
0.000 |
Slide |
0.000 |
6.753 |
2.818 |
0.000 |
-0.016 |
-0.221 |
Rise |
0.000 |
2.818 |
12.280 |
0.000 |
0.054 |
-0.148 |
Tilt |
-0.046 |
0.000 |
0.000 |
0.053 |
0.000 |
0.000 |
Roll |
0.000 |
-0.016 |
0.054 |
0.000 |
0.038 |
0.006 |
Twist |
0.000 |
-0.221 |
-0.148 |
0.000 |
0.006 |
0.067 |
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 |
2.552 |
0.000 |
0.000 |
-0.022 |
0.000 |
0.000 |
Slide |
0.000 |
5.835 |
2.645 |
0.000 |
-0.052 |
-0.196 |
Rise |
0.000 |
2.645 |
10.912 |
0.000 |
0.021 |
-0.161 |
Tilt |
-0.022 |
0.000 |
0.000 |
0.052 |
0.000 |
0.000 |
Roll |
0.000 |
-0.052 |
0.021 |
0.000 |
0.036 |
0.010 |
Twist |
0.000 |
-0.196 |
-0.161 |
0.000 |
0.010 |
0.069 |
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 |
0.700 |
0.000 |
0.000 |
-0.066 |
0.000 |
0.000 |
Slide |
0.000 |
2.606 |
1.030 |
0.000 |
0.021 |
-0.113 |
Rise |
0.000 |
1.029 |
7.802 |
0.000 |
-0.096 |
-0.253 |
Tilt |
-0.066 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
-0.096 |
0.000 |
0.018 |
0.010 |
Twist |
0.000 |
-0.113 |
-0.253 |
0.000 |
0.010 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.645 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
2.806 |
0.722 |
0.000 |
0.014 |
-0.110 |
Rise |
0.000 |
0.722 |
7.273 |
0.000 |
-0.073 |
-0.174 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
-0.073 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.110 |
-0.174 |
0.000 |
0.007 |
0.025 |
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 |
0.823 |
0.000 |
0.000 |
-0.052 |
0.000 |
0.000 |
Slide |
0.000 |
3.358 |
0.724 |
0.000 |
0.020 |
-0.142 |
Rise |
0.000 |
0.724 |
8.151 |
0.000 |
-0.119 |
-0.259 |
Tilt |
-0.052 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.020 |
-0.119 |
0.000 |
0.023 |
0.014 |
Twist |
0.000 |
-0.142 |
-0.259 |
0.000 |
0.014 |
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 |
1.421 |
0.000 |
0.000 |
-0.082 |
0.000 |
0.000 |
Slide |
0.000 |
1.640 |
1.669 |
0.000 |
-0.016 |
-0.086 |
Rise |
0.000 |
1.669 |
7.842 |
0.000 |
-0.029 |
-0.168 |
Tilt |
-0.082 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.016 |
-0.029 |
0.000 |
0.023 |
0.008 |
Twist |
0.000 |
-0.086 |
-0.168 |
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 |
0.953 |
0.000 |
0.000 |
-0.131 |
0.000 |
0.000 |
Slide |
0.000 |
1.965 |
1.921 |
0.000 |
0.000 |
-0.117 |
Rise |
0.000 |
1.921 |
8.259 |
0.000 |
0.006 |
-0.237 |
Tilt |
-0.131 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.000 |
0.006 |
0.000 |
0.016 |
0.005 |
Twist |
0.000 |
-0.117 |
-0.237 |
0.000 |
0.005 |
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 |
1.391 |
0.000 |
0.000 |
-0.080 |
0.000 |
0.000 |
Slide |
0.000 |
1.664 |
1.675 |
0.000 |
-0.004 |
-0.078 |
Rise |
0.000 |
1.675 |
7.822 |
0.000 |
0.011 |
-0.148 |
Tilt |
-0.080 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
0.011 |
0.000 |
0.021 |
0.007 |
Twist |
0.000 |
-0.078 |
-0.148 |
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 |
0.997 |
0.000 |
0.000 |
-0.128 |
0.000 |
0.000 |
Slide |
0.000 |
2.956 |
0.980 |
0.000 |
0.010 |
-0.139 |
Rise |
0.000 |
0.980 |
8.288 |
0.000 |
-0.084 |
-0.223 |
Tilt |
-0.128 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.010 |
-0.084 |
0.000 |
0.017 |
0.004 |
Twist |
0.000 |
-0.139 |
-0.223 |
0.000 |
0.004 |
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 |
1.241 |
0.000 |
0.000 |
-0.159 |
0.000 |
0.000 |
Slide |
0.000 |
3.362 |
1.324 |
0.000 |
0.052 |
-0.100 |
Rise |
0.000 |
1.324 |
7.282 |
0.000 |
-0.076 |
-0.187 |
Tilt |
-0.159 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
0.052 |
-0.076 |
0.000 |
0.015 |
0.001 |
Twist |
0.000 |
-0.100 |
-0.187 |
0.000 |
0.001 |
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 |
1.200 |
0.000 |
0.000 |
-0.159 |
0.000 |
0.000 |
Slide |
0.000 |
3.346 |
0.354 |
0.000 |
-0.004 |
-0.159 |
Rise |
0.000 |
0.354 |
9.022 |
0.000 |
-0.107 |
-0.251 |
Tilt |
-0.159 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
-0.107 |
0.000 |
0.017 |
0.008 |
Twist |
0.000 |
-0.159 |
-0.251 |
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 |
1.083 |
0.000 |
0.000 |
-0.135 |
0.000 |
0.000 |
Slide |
0.000 |
2.665 |
1.065 |
0.000 |
0.026 |
-0.082 |
Rise |
0.000 |
1.065 |
8.471 |
0.000 |
-0.081 |
-0.242 |
Tilt |
-0.135 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
0.026 |
-0.081 |
0.000 |
0.017 |
0.006 |
Twist |
0.000 |
-0.082 |
-0.242 |
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 |
1.217 |
0.000 |
0.000 |
-0.156 |
0.000 |
0.000 |
Slide |
0.000 |
3.180 |
0.585 |
0.000 |
-0.007 |
-0.158 |
Rise |
0.000 |
0.585 |
9.116 |
0.000 |
-0.093 |
-0.225 |
Tilt |
-0.156 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.007 |
-0.093 |
0.000 |
0.017 |
0.007 |
Twist |
0.000 |
-0.158 |
-0.225 |
0.000 |
0.007 |
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 |
0.724 |
0.000 |
0.000 |
-0.043 |
0.000 |
0.000 |
Slide |
0.000 |
2.743 |
1.773 |
0.000 |
-0.037 |
-0.184 |
Rise |
0.000 |
1.773 |
8.803 |
0.000 |
0.028 |
-0.141 |
Tilt |
-0.043 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.037 |
0.028 |
0.000 |
0.017 |
0.002 |
Twist |
0.000 |
-0.184 |
-0.141 |
0.000 |
0.002 |
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 |
0.754 |
0.000 |
0.000 |
-0.044 |
0.000 |
0.000 |
Slide |
0.000 |
2.602 |
1.510 |
0.000 |
-0.057 |
-0.091 |
Rise |
0.000 |
1.510 |
9.016 |
0.000 |
-0.078 |
-0.238 |
Tilt |
-0.044 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.057 |
-0.078 |
0.000 |
0.020 |
0.009 |
Twist |
0.000 |
-0.091 |
-0.238 |
0.000 |
0.009 |
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 |
1.041 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
2.383 |
1.898 |
0.000 |
-0.056 |
-0.130 |
Rise |
0.000 |
1.898 |
8.727 |
0.000 |
0.017 |
-0.177 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.056 |
0.017 |
0.000 |
0.022 |
0.005 |
Twist |
0.000 |
-0.130 |
-0.177 |
0.000 |
0.005 |
0.025 |
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 |
1.237 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
2.404 |
1.808 |
0.000 |
-0.037 |
-0.128 |
Rise |
0.000 |
1.808 |
8.899 |
0.000 |
-0.071 |
-0.217 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.037 |
-0.071 |
0.000 |
0.025 |
0.011 |
Twist |
0.000 |
-0.128 |
-0.217 |
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 |
1.011 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
Slide |
0.000 |
2.272 |
0.971 |
0.000 |
-0.010 |
-0.128 |
Rise |
0.000 |
0.971 |
8.918 |
0.000 |
-0.033 |
-0.131 |
Tilt |
-0.111 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.010 |
-0.033 |
0.000 |
0.023 |
0.005 |
Twist |
0.000 |
-0.128 |
-0.131 |
0.000 |
0.005 |
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 |
0.870 |
0.000 |
0.000 |
-0.128 |
0.000 |
0.000 |
Slide |
0.000 |
2.322 |
1.724 |
0.000 |
-0.023 |
-0.113 |
Rise |
0.000 |
1.724 |
8.861 |
0.000 |
-0.047 |
-0.132 |
Tilt |
-0.128 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.023 |
-0.047 |
0.000 |
0.029 |
0.011 |
Twist |
0.000 |
-0.113 |
-0.132 |
0.000 |
0.011 |
0.048 |
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 |
1.299 |
0.000 |
0.000 |
-0.141 |
0.000 |
0.000 |
Slide |
0.000 |
2.881 |
2.649 |
0.000 |
0.067 |
-0.079 |
Rise |
0.000 |
2.649 |
12.093 |
0.000 |
0.146 |
-0.263 |
Tilt |
-0.141 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.067 |
0.146 |
0.000 |
0.029 |
0.008 |
Twist |
0.000 |
-0.079 |
-0.263 |
0.000 |
0.008 |
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 |
1.264 |
0.000 |
0.000 |
-0.124 |
0.000 |
0.000 |
Slide |
0.000 |
3.086 |
3.737 |
0.000 |
0.071 |
-0.052 |
Rise |
0.000 |
3.737 |
12.437 |
0.000 |
0.129 |
-0.250 |
Tilt |
-0.124 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.071 |
0.129 |
0.000 |
0.028 |
0.005 |
Twist |
0.000 |
-0.052 |
-0.250 |
0.000 |
0.005 |
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 |
1.153 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
Slide |
0.000 |
3.094 |
3.378 |
0.000 |
0.059 |
-0.044 |
Rise |
0.000 |
3.378 |
12.023 |
0.000 |
0.131 |
-0.237 |
Tilt |
-0.112 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.059 |
0.131 |
0.000 |
0.028 |
0.005 |
Twist |
0.000 |
-0.044 |
-0.237 |
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 |
1.269 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
Slide |
0.000 |
3.506 |
3.463 |
0.000 |
0.062 |
-0.073 |
Rise |
0.000 |
3.463 |
12.516 |
0.000 |
0.146 |
-0.216 |
Tilt |
-0.098 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.062 |
0.146 |
0.000 |
0.028 |
0.004 |
Twist |
0.000 |
-0.073 |
-0.216 |
0.000 |
0.004 |
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 |
1.097 |
0.000 |
0.000 |
-0.121 |
0.000 |
0.000 |
Slide |
0.000 |
3.052 |
2.278 |
0.000 |
0.076 |
-0.055 |
Rise |
0.000 |
2.278 |
11.070 |
0.000 |
0.129 |
-0.219 |
Tilt |
-0.121 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.076 |
0.129 |
0.000 |
0.025 |
0.004 |
Twist |
0.000 |
-0.055 |
-0.219 |
0.000 |
0.004 |
0.025 |
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 |
1.206 |
0.000 |
0.000 |
-0.093 |
0.000 |
0.000 |
Slide |
0.000 |
3.429 |
3.158 |
0.000 |
0.070 |
-0.073 |
Rise |
0.000 |
3.158 |
12.198 |
0.000 |
0.145 |
-0.224 |
Tilt |
-0.093 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.070 |
0.145 |
0.000 |
0.026 |
0.004 |
Twist |
0.000 |
-0.073 |
-0.224 |
0.000 |
0.004 |
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 |
0.806 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
2.071 |
1.806 |
0.000 |
-0.022 |
-0.113 |
Rise |
0.000 |
1.806 |
8.804 |
0.000 |
-0.022 |
-0.221 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.022 |
-0.022 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.113 |
-0.221 |
0.000 |
0.008 |
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 |
1.425 |
0.000 |
0.000 |
-0.106 |
0.000 |
0.000 |
Slide |
0.000 |
1.688 |
1.736 |
0.000 |
-0.004 |
-0.100 |
Rise |
0.000 |
1.736 |
7.821 |
0.000 |
-0.041 |
-0.162 |
Tilt |
-0.106 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
-0.041 |
0.000 |
0.024 |
0.006 |
Twist |
0.000 |
-0.100 |
-0.162 |
0.000 |
0.006 |
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 |
1.623 |
0.000 |
0.000 |
-0.124 |
0.000 |
0.000 |
Slide |
0.000 |
1.891 |
1.893 |
0.000 |
-0.009 |
-0.111 |
Rise |
0.000 |
1.893 |
8.149 |
0.000 |
-0.014 |
-0.172 |
Tilt |
-0.124 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.009 |
-0.014 |
0.000 |
0.023 |
0.006 |
Twist |
0.000 |
-0.111 |
-0.172 |
0.000 |
0.006 |
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 |
0.923 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
Slide |
0.000 |
3.838 |
2.960 |
0.000 |
0.017 |
-0.036 |
Rise |
0.000 |
2.960 |
11.309 |
0.000 |
0.093 |
-0.224 |
Tilt |
-0.063 |
0.000 |
0.000 |
0.048 |
0.000 |
0.000 |
Roll |
0.000 |
0.017 |
0.093 |
0.000 |
0.031 |
0.013 |
Twist |
0.000 |
-0.036 |
-0.224 |
0.000 |
0.013 |
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 |
0.718 |
0.000 |
0.000 |
-0.050 |
0.000 |
0.000 |
Slide |
0.000 |
3.283 |
2.636 |
0.000 |
0.075 |
-0.050 |
Rise |
0.000 |
2.636 |
10.648 |
0.000 |
0.117 |
-0.188 |
Tilt |
-0.050 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.075 |
0.117 |
0.000 |
0.023 |
0.006 |
Twist |
0.000 |
-0.050 |
-0.188 |
0.000 |
0.006 |
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 |
0.942 |
0.000 |
0.000 |
-0.056 |
0.000 |
0.000 |
Slide |
0.000 |
3.443 |
2.862 |
0.000 |
0.022 |
-0.066 |
Rise |
0.000 |
2.862 |
10.426 |
0.000 |
0.063 |
-0.228 |
Tilt |
-0.056 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.022 |
0.063 |
0.000 |
0.027 |
0.013 |
Twist |
0.000 |
-0.066 |
-0.228 |
0.000 |
0.013 |
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 |
0.412 |
0.000 |
0.000 |
-0.049 |
0.000 |
0.000 |
Slide |
0.000 |
3.188 |
0.599 |
0.000 |
0.020 |
-0.183 |
Rise |
0.000 |
0.598 |
8.687 |
0.000 |
-0.131 |
-0.236 |
Tilt |
-0.049 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.020 |
-0.131 |
0.000 |
0.018 |
0.015 |
Twist |
0.000 |
-0.183 |
-0.237 |
0.000 |
0.015 |
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 |
0.427 |
0.000 |
0.000 |
-0.049 |
0.000 |
0.000 |
Slide |
0.000 |
2.629 |
1.120 |
0.000 |
0.016 |
-0.163 |
Rise |
0.000 |
1.120 |
8.368 |
0.000 |
-0.088 |
-0.262 |
Tilt |
-0.049 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.016 |
-0.088 |
0.000 |
0.015 |
0.010 |
Twist |
0.000 |
-0.163 |
-0.262 |
0.000 |
0.010 |
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 |
0.375 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
2.882 |
1.134 |
0.000 |
0.013 |
-0.184 |
Rise |
0.000 |
1.134 |
7.599 |
0.000 |
-0.049 |
-0.199 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.049 |
0.000 |
0.011 |
0.006 |
Twist |
0.000 |
-0.184 |
-0.199 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.381 |
0.000 |
0.000 |
-0.046 |
0.000 |
0.000 |
Slide |
0.000 |
2.985 |
0.718 |
0.000 |
0.027 |
-0.154 |
Rise |
0.000 |
0.718 |
8.797 |
0.000 |
-0.136 |
-0.249 |
Tilt |
-0.046 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.027 |
-0.136 |
0.000 |
0.021 |
0.015 |
Twist |
0.000 |
-0.154 |
-0.249 |
0.000 |
0.015 |
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 |
1.135 |
0.000 |
0.000 |
-0.097 |
0.000 |
0.000 |
Slide |
0.000 |
2.338 |
0.936 |
0.000 |
-0.032 |
-0.149 |
Rise |
0.000 |
0.936 |
8.631 |
0.000 |
-0.042 |
-0.157 |
Tilt |
-0.097 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.032 |
-0.042 |
0.000 |
0.025 |
0.010 |
Twist |
0.000 |
-0.149 |
-0.157 |
0.000 |
0.010 |
0.046 |
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 |
1.078 |
0.000 |
0.000 |
-0.119 |
0.000 |
0.000 |
Slide |
0.000 |
1.799 |
1.080 |
0.000 |
-0.007 |
-0.078 |
Rise |
0.000 |
1.080 |
8.504 |
0.000 |
-0.032 |
-0.136 |
Tilt |
-0.119 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.007 |
-0.032 |
0.000 |
0.024 |
0.009 |
Twist |
0.000 |
-0.078 |
-0.136 |
0.000 |
0.009 |
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 |
0.860 |
0.000 |
0.000 |
-0.118 |
0.000 |
0.000 |
Slide |
0.000 |
2.121 |
1.722 |
0.000 |
-0.007 |
-0.101 |
Rise |
0.000 |
1.722 |
8.534 |
0.000 |
-0.027 |
-0.176 |
Tilt |
-0.118 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.007 |
-0.027 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.101 |
-0.176 |
0.000 |
0.008 |
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 |
0.626 |
0.000 |
0.000 |
-0.083 |
0.000 |
0.000 |
Slide |
0.000 |
2.506 |
0.925 |
0.000 |
0.026 |
-0.085 |
Rise |
0.000 |
0.925 |
7.512 |
0.000 |
-0.074 |
-0.205 |
Tilt |
-0.083 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.027 |
-0.074 |
0.000 |
0.017 |
0.008 |
Twist |
0.000 |
-0.085 |
-0.205 |
0.000 |
0.008 |
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 |
0.741 |
0.000 |
0.000 |
-0.089 |
0.000 |
0.000 |
Slide |
0.000 |
2.855 |
1.051 |
0.000 |
0.008 |
-0.137 |
Rise |
0.000 |
1.051 |
7.784 |
0.000 |
-0.072 |
-0.225 |
Tilt |
-0.089 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.072 |
0.000 |
0.016 |
0.009 |
Twist |
0.000 |
-0.137 |
-0.225 |
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 |
0.731 |
0.000 |
0.000 |
-0.054 |
0.000 |
0.000 |
Slide |
0.000 |
3.386 |
0.750 |
0.000 |
0.021 |
-0.143 |
Rise |
0.000 |
0.750 |
8.334 |
0.000 |
-0.111 |
-0.267 |
Tilt |
-0.054 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
-0.111 |
0.000 |
0.021 |
0.013 |
Twist |
0.000 |
-0.143 |
-0.267 |
0.000 |
0.013 |
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 |
0.784 |
0.000 |
0.000 |
-0.104 |
0.000 |
0.000 |
Slide |
0.000 |
2.811 |
0.929 |
0.000 |
-0.049 |
-0.150 |
Rise |
0.000 |
0.929 |
10.312 |
0.000 |
-0.034 |
-0.165 |
Tilt |
-0.104 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.049 |
-0.034 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.150 |
-0.165 |
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 |
0.977 |
0.000 |
0.000 |
-0.124 |
0.000 |
0.000 |
Slide |
0.000 |
3.333 |
0.982 |
0.000 |
-0.044 |
-0.194 |
Rise |
0.000 |
0.982 |
9.936 |
0.000 |
0.005 |
-0.181 |
Tilt |
-0.124 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.044 |
0.005 |
0.000 |
0.026 |
0.010 |
Twist |
0.000 |
-0.194 |
-0.181 |
0.000 |
0.010 |
0.051 |
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)