| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.470 |
-0.405 |
0.316 |
-0.035 |
0.020 |
0.043 |
Slide |
-0.405 |
3.966 |
2.710 |
-0.056 |
0.009 |
-0.067 |
Rise |
0.316 |
2.710 |
10.804 |
0.022 |
0.085 |
-0.167 |
Tilt |
-0.035 |
-0.056 |
0.022 |
0.044 |
0.006 |
0.007 |
Roll |
0.020 |
0.009 |
0.085 |
0.006 |
0.027 |
0.011 |
Twist |
0.043 |
-0.067 |
-0.167 |
0.007 |
0.011 |
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 |
0.836 |
0.099 |
0.103 |
-0.029 |
0.034 |
0.052 |
Slide |
0.099 |
2.375 |
1.462 |
0.002 |
-0.026 |
-0.120 |
Rise |
0.103 |
1.462 |
10.800 |
-0.249 |
-0.041 |
-0.223 |
Tilt |
-0.029 |
0.002 |
-0.249 |
0.043 |
0.003 |
0.007 |
Roll |
0.034 |
-0.026 |
-0.041 |
0.003 |
0.020 |
0.007 |
Twist |
0.052 |
-0.120 |
-0.223 |
0.007 |
0.007 |
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 |
1.118 |
-0.367 |
0.036 |
-0.128 |
0.004 |
-0.001 |
Slide |
-0.367 |
3.363 |
0.687 |
-0.015 |
-0.002 |
-0.148 |
Rise |
0.036 |
0.687 |
8.556 |
-0.023 |
-0.071 |
-0.229 |
Tilt |
-0.128 |
-0.015 |
-0.023 |
0.034 |
-0.000 |
0.001 |
Roll |
0.004 |
-0.002 |
-0.071 |
-0.000 |
0.018 |
0.006 |
Twist |
-0.001 |
-0.148 |
-0.229 |
0.001 |
0.006 |
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 |
1.656 |
-0.697 |
-0.494 |
-0.050 |
-0.018 |
-0.090 |
Slide |
-0.697 |
3.369 |
1.627 |
-0.023 |
-0.029 |
-0.107 |
Rise |
-0.494 |
1.627 |
10.987 |
0.249 |
-0.021 |
-0.181 |
Tilt |
-0.050 |
-0.023 |
0.249 |
0.053 |
-0.001 |
-0.006 |
Roll |
-0.018 |
-0.029 |
-0.021 |
-0.001 |
0.021 |
0.006 |
Twist |
-0.090 |
-0.107 |
-0.181 |
-0.006 |
0.006 |
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 |
1.969 |
-0.379 |
-0.561 |
-0.085 |
-0.040 |
-0.087 |
Slide |
-0.379 |
2.672 |
1.681 |
0.008 |
-0.035 |
-0.122 |
Rise |
-0.561 |
1.681 |
7.899 |
0.195 |
-0.030 |
-0.185 |
Tilt |
-0.085 |
0.008 |
0.195 |
0.046 |
-0.003 |
-0.010 |
Roll |
-0.040 |
-0.035 |
-0.030 |
-0.003 |
0.023 |
0.006 |
Twist |
-0.087 |
-0.122 |
-0.185 |
-0.010 |
0.006 |
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 |
1.935 |
0.779 |
0.826 |
-0.115 |
0.021 |
-0.024 |
Slide |
0.779 |
3.684 |
1.194 |
0.023 |
-0.042 |
-0.173 |
Rise |
0.826 |
1.194 |
11.048 |
-0.301 |
0.019 |
-0.145 |
Tilt |
-0.115 |
0.023 |
-0.301 |
0.048 |
-0.005 |
-0.000 |
Roll |
0.021 |
-0.042 |
0.019 |
-0.005 |
0.025 |
0.011 |
Twist |
-0.024 |
-0.173 |
-0.145 |
-0.000 |
0.011 |
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 |
2.836 |
0.090 |
0.208 |
-0.131 |
-0.004 |
-0.012 |
Slide |
0.090 |
3.925 |
2.800 |
0.016 |
0.019 |
-0.092 |
Rise |
0.208 |
2.800 |
11.315 |
-0.001 |
0.095 |
-0.202 |
Tilt |
-0.131 |
0.016 |
-0.001 |
0.043 |
0.000 |
-0.001 |
Roll |
-0.004 |
0.019 |
0.096 |
0.000 |
0.030 |
0.008 |
Twist |
-0.012 |
-0.092 |
-0.202 |
-0.001 |
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 |
2.080 |
0.735 |
0.741 |
-0.156 |
0.040 |
0.027 |
Slide |
0.735 |
2.301 |
1.718 |
0.019 |
0.008 |
-0.082 |
Rise |
0.741 |
1.718 |
11.791 |
-0.401 |
0.012 |
-0.207 |
Tilt |
-0.156 |
0.019 |
-0.401 |
0.062 |
-0.005 |
0.001 |
Roll |
0.040 |
0.008 |
0.012 |
-0.005 |
0.026 |
0.006 |
Twist |
0.027 |
-0.082 |
-0.207 |
0.001 |
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 |
1.335 |
0.061 |
0.933 |
-0.167 |
0.048 |
0.042 |
Slide |
0.061 |
1.557 |
1.858 |
-0.017 |
0.020 |
-0.092 |
Rise |
0.933 |
1.858 |
10.301 |
-0.340 |
0.030 |
-0.192 |
Tilt |
-0.167 |
-0.017 |
-0.340 |
0.053 |
-0.006 |
0.001 |
Roll |
0.048 |
0.020 |
0.030 |
-0.006 |
0.021 |
0.004 |
Twist |
0.042 |
-0.092 |
-0.192 |
0.001 |
0.004 |
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 |
1.682 |
0.335 |
0.567 |
-0.138 |
0.042 |
0.015 |
Slide |
0.335 |
1.597 |
1.704 |
-0.007 |
-0.006 |
-0.071 |
Rise |
0.567 |
1.704 |
8.315 |
-0.245 |
-0.029 |
-0.165 |
Tilt |
-0.138 |
-0.007 |
-0.245 |
0.049 |
-0.004 |
0.001 |
Roll |
0.042 |
-0.006 |
-0.029 |
-0.004 |
0.023 |
0.006 |
Twist |
0.015 |
-0.071 |
-0.165 |
0.001 |
0.006 |
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 |
1.084 |
0.186 |
-0.341 |
-0.035 |
-0.023 |
-0.023 |
Slide |
0.186 |
4.310 |
3.272 |
0.038 |
0.056 |
-0.086 |
Rise |
-0.341 |
3.272 |
12.012 |
-0.017 |
0.151 |
-0.189 |
Tilt |
-0.035 |
0.038 |
-0.017 |
0.045 |
-0.005 |
-0.006 |
Roll |
-0.023 |
0.056 |
0.151 |
-0.005 |
0.024 |
0.009 |
Twist |
-0.023 |
-0.086 |
-0.189 |
-0.006 |
0.009 |
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 |
0.429 |
0.096 |
-0.166 |
-0.039 |
0.010 |
0.011 |
Slide |
0.096 |
3.067 |
0.399 |
-0.006 |
0.000 |
-0.195 |
Rise |
-0.165 |
0.399 |
8.840 |
0.021 |
-0.103 |
-0.212 |
Tilt |
-0.039 |
-0.006 |
0.021 |
0.025 |
-0.001 |
0.000 |
Roll |
0.010 |
0.000 |
-0.103 |
-0.001 |
0.018 |
0.013 |
Twist |
0.011 |
-0.195 |
-0.212 |
0.000 |
0.013 |
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 |
0.779 |
0.090 |
-0.357 |
-0.090 |
0.010 |
0.022 |
Slide |
0.090 |
2.684 |
1.110 |
0.004 |
0.013 |
-0.119 |
Rise |
-0.357 |
1.110 |
7.828 |
-0.009 |
-0.072 |
-0.217 |
Tilt |
-0.090 |
0.004 |
-0.009 |
0.031 |
0.002 |
-0.001 |
Roll |
0.010 |
0.013 |
-0.072 |
0.002 |
0.016 |
0.008 |
Twist |
0.022 |
-0.119 |
-0.217 |
-0.001 |
0.008 |
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 |
1.050 |
-0.086 |
-0.142 |
-0.070 |
0.007 |
-0.004 |
Slide |
-0.086 |
3.379 |
0.489 |
-0.007 |
0.030 |
-0.139 |
Rise |
-0.143 |
0.489 |
8.688 |
-0.061 |
-0.094 |
-0.210 |
Tilt |
-0.070 |
-0.007 |
-0.061 |
0.032 |
0.001 |
-0.004 |
Roll |
0.007 |
0.030 |
-0.094 |
0.001 |
0.017 |
0.009 |
Twist |
-0.004 |
-0.139 |
-0.210 |
-0.004 |
0.009 |
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 |
1.486 |
-0.607 |
-0.651 |
-0.054 |
-0.005 |
-0.049 |
Slide |
-0.607 |
2.917 |
1.379 |
0.020 |
-0.077 |
-0.128 |
Rise |
-0.651 |
1.379 |
10.159 |
0.264 |
-0.045 |
-0.229 |
Tilt |
-0.054 |
0.020 |
0.264 |
0.048 |
-0.000 |
-0.009 |
Roll |
-0.005 |
-0.077 |
-0.045 |
-0.000 |
0.025 |
0.013 |
Twist |
-0.049 |
-0.128 |
-0.229 |
-0.009 |
0.013 |
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)