| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.065 |
-0.374 |
0.251 |
-0.056 |
0.011 |
-0.013 |
Slide |
-0.374 |
4.156 |
2.819 |
-0.032 |
0.037 |
-0.051 |
Rise |
0.251 |
2.819 |
10.553 |
0.023 |
0.099 |
-0.184 |
Tilt |
-0.056 |
-0.032 |
0.023 |
0.044 |
0.006 |
0.006 |
Roll |
0.011 |
0.037 |
0.099 |
0.006 |
0.024 |
0.010 |
Twist |
-0.013 |
-0.051 |
-0.184 |
0.006 |
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 |
1.858 |
0.487 |
0.287 |
-0.062 |
0.007 |
0.051 |
Slide |
0.487 |
3.649 |
3.118 |
-0.017 |
0.017 |
-0.055 |
Rise |
0.287 |
3.118 |
11.225 |
0.032 |
0.089 |
-0.193 |
Tilt |
-0.062 |
-0.017 |
0.032 |
0.045 |
0.006 |
0.005 |
Roll |
0.007 |
0.017 |
0.089 |
0.006 |
0.029 |
0.007 |
Twist |
0.051 |
-0.055 |
-0.193 |
0.005 |
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 |
0.983 |
-0.203 |
0.377 |
-0.055 |
0.021 |
0.033 |
Slide |
-0.203 |
4.480 |
2.860 |
-0.017 |
0.044 |
-0.116 |
Rise |
0.377 |
2.860 |
11.363 |
0.043 |
0.118 |
-0.218 |
Tilt |
-0.055 |
-0.017 |
0.043 |
0.046 |
0.005 |
0.005 |
Roll |
0.021 |
0.044 |
0.118 |
0.005 |
0.027 |
0.013 |
Twist |
0.033 |
-0.116 |
-0.218 |
0.005 |
0.013 |
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 |
2.284 |
0.378 |
0.025 |
-0.019 |
-0.002 |
-0.018 |
Slide |
0.378 |
5.426 |
2.709 |
0.003 |
-0.059 |
-0.192 |
Rise |
0.025 |
2.709 |
11.125 |
0.001 |
0.056 |
-0.156 |
Tilt |
-0.019 |
0.003 |
0.001 |
0.051 |
-0.001 |
-0.000 |
Roll |
-0.002 |
-0.059 |
0.056 |
-0.001 |
0.035 |
0.014 |
Twist |
-0.018 |
-0.192 |
-0.156 |
-0.000 |
0.014 |
0.064 |
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 |
0.054 |
0.197 |
-0.099 |
-0.016 |
-0.037 |
Slide |
0.054 |
2.763 |
0.819 |
-0.007 |
0.022 |
-0.122 |
Rise |
0.197 |
0.819 |
7.915 |
0.012 |
-0.076 |
-0.213 |
Tilt |
-0.099 |
-0.007 |
0.012 |
0.031 |
-0.001 |
0.003 |
Roll |
-0.016 |
0.022 |
-0.076 |
-0.001 |
0.015 |
0.007 |
Twist |
-0.037 |
-0.122 |
-0.213 |
0.003 |
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 |
1.234 |
0.428 |
0.182 |
-0.100 |
-0.033 |
-0.065 |
Slide |
0.428 |
2.574 |
1.179 |
0.007 |
0.022 |
-0.115 |
Rise |
0.182 |
1.179 |
7.076 |
0.026 |
-0.060 |
-0.180 |
Tilt |
-0.100 |
0.007 |
0.026 |
0.033 |
-0.001 |
0.001 |
Roll |
-0.033 |
0.022 |
-0.060 |
-0.001 |
0.017 |
0.006 |
Twist |
-0.065 |
-0.115 |
-0.180 |
0.001 |
0.006 |
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 |
1.259 |
0.162 |
0.050 |
-0.154 |
-0.005 |
-0.027 |
Slide |
0.162 |
3.135 |
1.107 |
-0.020 |
0.028 |
-0.093 |
Rise |
0.050 |
1.107 |
7.381 |
0.007 |
-0.034 |
-0.177 |
Tilt |
-0.154 |
-0.020 |
0.007 |
0.036 |
-0.001 |
0.003 |
Roll |
-0.005 |
0.028 |
-0.034 |
-0.001 |
0.015 |
0.002 |
Twist |
-0.027 |
-0.093 |
-0.177 |
0.003 |
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 |
1.799 |
-0.818 |
-0.355 |
-0.036 |
-0.048 |
-0.080 |
Slide |
-0.818 |
2.713 |
1.686 |
0.006 |
0.000 |
-0.098 |
Rise |
-0.355 |
1.686 |
9.422 |
0.227 |
-0.041 |
-0.209 |
Tilt |
-0.036 |
0.006 |
0.227 |
0.049 |
-0.003 |
-0.010 |
Roll |
-0.048 |
0.000 |
-0.041 |
-0.003 |
0.020 |
0.004 |
Twist |
-0.080 |
-0.098 |
-0.209 |
-0.010 |
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 |
1.712 |
1.008 |
0.920 |
-0.100 |
0.010 |
-0.040 |
Slide |
1.008 |
2.562 |
1.194 |
0.025 |
-0.022 |
-0.120 |
Rise |
0.920 |
1.194 |
10.691 |
-0.281 |
-0.008 |
-0.179 |
Tilt |
-0.100 |
0.025 |
-0.281 |
0.043 |
-0.004 |
0.002 |
Roll |
0.010 |
-0.022 |
-0.008 |
-0.004 |
0.022 |
0.008 |
Twist |
-0.040 |
-0.120 |
-0.179 |
0.002 |
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 |
0.955 |
0.138 |
0.468 |
-0.120 |
0.040 |
0.030 |
Slide |
0.138 |
2.101 |
1.655 |
-0.013 |
-0.009 |
-0.141 |
Rise |
0.468 |
1.655 |
11.153 |
-0.327 |
0.020 |
-0.193 |
Tilt |
-0.120 |
-0.013 |
-0.327 |
0.049 |
-0.003 |
0.001 |
Roll |
0.040 |
-0.009 |
0.020 |
-0.003 |
0.017 |
0.004 |
Twist |
0.030 |
-0.141 |
-0.193 |
0.001 |
0.004 |
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 |
1.079 |
0.126 |
0.397 |
-0.107 |
0.038 |
0.037 |
Slide |
0.126 |
1.540 |
1.641 |
-0.004 |
0.006 |
-0.085 |
Rise |
0.397 |
1.641 |
9.424 |
-0.238 |
0.009 |
-0.198 |
Tilt |
-0.107 |
-0.004 |
-0.238 |
0.044 |
-0.003 |
-0.001 |
Roll |
0.038 |
0.006 |
0.009 |
-0.003 |
0.023 |
0.006 |
Twist |
0.037 |
-0.085 |
-0.198 |
-0.001 |
0.006 |
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 |
1.204 |
-0.089 |
0.849 |
-0.159 |
0.044 |
0.037 |
Slide |
-0.089 |
1.709 |
1.808 |
-0.023 |
0.012 |
-0.100 |
Rise |
0.849 |
1.808 |
9.469 |
-0.300 |
0.004 |
-0.200 |
Tilt |
-0.159 |
-0.023 |
-0.300 |
0.052 |
-0.002 |
0.000 |
Roll |
0.044 |
0.012 |
0.004 |
-0.002 |
0.018 |
0.007 |
Twist |
0.037 |
-0.100 |
-0.200 |
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 |
0.696 |
0.341 |
-0.401 |
-0.051 |
0.002 |
-0.003 |
Slide |
0.341 |
3.462 |
0.518 |
0.020 |
0.028 |
-0.177 |
Rise |
-0.401 |
0.519 |
8.665 |
0.081 |
-0.103 |
-0.215 |
Tilt |
-0.051 |
0.020 |
0.081 |
0.030 |
-0.000 |
0.003 |
Roll |
0.002 |
0.028 |
-0.103 |
-0.000 |
0.018 |
0.013 |
Twist |
-0.003 |
-0.177 |
-0.215 |
0.003 |
0.013 |
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 |
0.822 |
0.180 |
-0.366 |
-0.066 |
0.010 |
0.020 |
Slide |
0.180 |
2.807 |
0.573 |
-0.009 |
0.023 |
-0.130 |
Rise |
-0.366 |
0.573 |
8.258 |
-0.008 |
-0.114 |
-0.223 |
Tilt |
-0.066 |
-0.009 |
-0.008 |
0.030 |
0.001 |
0.000 |
Roll |
0.010 |
0.023 |
-0.114 |
0.001 |
0.021 |
0.012 |
Twist |
0.020 |
-0.130 |
-0.223 |
0.000 |
0.012 |
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 |
2.065 |
-1.236 |
-0.701 |
-0.037 |
0.004 |
0.000 |
Slide |
-1.236 |
3.755 |
1.285 |
-0.005 |
-0.049 |
-0.159 |
Rise |
-0.701 |
1.285 |
10.939 |
0.263 |
-0.007 |
-0.197 |
Tilt |
-0.037 |
-0.005 |
0.263 |
0.050 |
-0.001 |
-0.006 |
Roll |
0.004 |
-0.049 |
-0.007 |
-0.001 |
0.023 |
0.009 |
Twist |
0.000 |
-0.159 |
-0.197 |
-0.006 |
0.009 |
0.047 |
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)