| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.812 |
0.320 |
0.478 |
-0.043 |
0.008 |
0.034 |
Slide |
0.320 |
2.625 |
1.346 |
-0.015 |
-0.086 |
-0.114 |
Rise |
0.478 |
1.346 |
9.639 |
-0.269 |
-0.053 |
-0.225 |
Tilt |
-0.043 |
-0.015 |
-0.269 |
0.045 |
0.000 |
0.007 |
Roll |
0.008 |
-0.086 |
-0.053 |
0.000 |
0.023 |
0.008 |
Twist |
0.034 |
-0.114 |
-0.225 |
0.007 |
0.008 |
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 |
2.122 |
0.904 |
0.850 |
-0.061 |
0.023 |
0.021 |
Slide |
0.904 |
3.153 |
1.167 |
0.020 |
-0.038 |
-0.173 |
Rise |
0.850 |
1.167 |
9.947 |
-0.252 |
-0.055 |
-0.212 |
Tilt |
-0.061 |
0.020 |
-0.252 |
0.046 |
0.002 |
0.008 |
Roll |
0.023 |
-0.038 |
-0.055 |
0.002 |
0.022 |
0.008 |
Twist |
0.021 |
-0.173 |
-0.212 |
0.008 |
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 |
1.217 |
-0.261 |
0.348 |
-0.044 |
0.016 |
0.047 |
Slide |
-0.261 |
3.421 |
2.515 |
-0.044 |
0.012 |
-0.092 |
Rise |
0.348 |
2.515 |
10.091 |
0.032 |
0.062 |
-0.148 |
Tilt |
-0.044 |
-0.044 |
0.032 |
0.043 |
0.005 |
0.007 |
Roll |
0.016 |
0.012 |
0.062 |
0.005 |
0.025 |
0.011 |
Twist |
0.047 |
-0.092 |
-0.148 |
0.007 |
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 |
1.172 |
0.204 |
0.430 |
-0.066 |
0.045 |
0.067 |
Slide |
0.204 |
2.370 |
1.873 |
-0.033 |
-0.045 |
-0.109 |
Rise |
0.430 |
1.873 |
9.493 |
-0.272 |
-0.050 |
-0.249 |
Tilt |
-0.066 |
-0.033 |
-0.272 |
0.047 |
0.003 |
0.011 |
Roll |
0.045 |
-0.045 |
-0.050 |
0.003 |
0.021 |
0.009 |
Twist |
0.067 |
-0.109 |
-0.249 |
0.011 |
0.009 |
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 |
1.896 |
0.778 |
0.411 |
-0.064 |
0.031 |
0.081 |
Slide |
0.778 |
2.914 |
2.089 |
-0.014 |
-0.034 |
-0.120 |
Rise |
0.411 |
2.089 |
10.393 |
-0.242 |
-0.004 |
-0.236 |
Tilt |
-0.064 |
-0.014 |
-0.242 |
0.051 |
-0.001 |
0.008 |
Roll |
0.031 |
-0.034 |
-0.004 |
-0.001 |
0.022 |
0.006 |
Twist |
0.081 |
-0.120 |
-0.236 |
0.008 |
0.006 |
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 |
0.807 |
-0.010 |
0.486 |
-0.070 |
-0.007 |
-0.019 |
Slide |
-0.010 |
2.677 |
0.441 |
-0.013 |
0.024 |
-0.112 |
Rise |
0.486 |
0.441 |
7.931 |
0.011 |
-0.095 |
-0.214 |
Tilt |
-0.070 |
-0.013 |
0.011 |
0.028 |
-0.001 |
0.001 |
Roll |
-0.007 |
0.023 |
-0.095 |
-0.001 |
0.018 |
0.009 |
Twist |
-0.019 |
-0.112 |
-0.214 |
0.001 |
0.009 |
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 |
0.755 |
-0.108 |
0.294 |
-0.073 |
-0.001 |
-0.021 |
Slide |
-0.108 |
2.866 |
0.754 |
-0.010 |
0.011 |
-0.131 |
Rise |
0.294 |
0.754 |
7.525 |
0.013 |
-0.090 |
-0.206 |
Tilt |
-0.073 |
-0.010 |
0.013 |
0.028 |
-0.001 |
0.002 |
Roll |
-0.001 |
0.011 |
-0.090 |
-0.001 |
0.018 |
0.008 |
Twist |
-0.021 |
-0.131 |
-0.206 |
0.002 |
0.008 |
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 |
1.167 |
-0.047 |
0.125 |
-0.142 |
0.005 |
-0.006 |
Slide |
-0.047 |
2.783 |
0.687 |
-0.005 |
0.035 |
-0.095 |
Rise |
0.125 |
0.687 |
7.648 |
-0.009 |
-0.054 |
-0.207 |
Tilt |
-0.142 |
-0.005 |
-0.009 |
0.034 |
-0.001 |
-0.000 |
Roll |
0.005 |
0.035 |
-0.054 |
-0.001 |
0.016 |
0.005 |
Twist |
-0.006 |
-0.095 |
-0.207 |
-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 |
1.893 |
-0.536 |
-0.533 |
-0.083 |
-0.028 |
-0.063 |
Slide |
-0.536 |
2.554 |
1.764 |
0.013 |
-0.060 |
-0.097 |
Rise |
-0.533 |
1.764 |
9.066 |
0.252 |
-0.047 |
-0.228 |
Tilt |
-0.083 |
0.013 |
0.252 |
0.050 |
-0.001 |
-0.009 |
Roll |
-0.028 |
-0.060 |
-0.047 |
-0.001 |
0.025 |
0.007 |
Twist |
-0.063 |
-0.097 |
-0.228 |
-0.009 |
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 |
1.058 |
-0.180 |
-0.390 |
-0.048 |
-0.032 |
-0.049 |
Slide |
-0.180 |
2.237 |
1.897 |
0.038 |
-0.054 |
-0.099 |
Rise |
-0.390 |
1.897 |
9.817 |
0.233 |
-0.037 |
-0.220 |
Tilt |
-0.048 |
0.038 |
0.233 |
0.044 |
-0.002 |
-0.009 |
Roll |
-0.032 |
-0.054 |
-0.037 |
-0.002 |
0.020 |
0.008 |
Twist |
-0.049 |
-0.099 |
-0.220 |
-0.009 |
0.008 |
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 |
1.270 |
0.314 |
0.819 |
-0.102 |
0.040 |
0.013 |
Slide |
0.314 |
1.928 |
1.471 |
-0.013 |
-0.019 |
-0.106 |
Rise |
0.819 |
1.471 |
9.229 |
-0.305 |
-0.010 |
-0.173 |
Tilt |
-0.102 |
-0.013 |
-0.305 |
0.043 |
-0.004 |
0.003 |
Roll |
0.040 |
-0.019 |
-0.010 |
-0.004 |
0.021 |
0.009 |
Twist |
0.013 |
-0.106 |
-0.173 |
0.003 |
0.009 |
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 |
2.414 |
0.153 |
-0.022 |
-0.125 |
-0.012 |
-0.008 |
Slide |
0.153 |
2.954 |
2.308 |
0.005 |
0.048 |
-0.123 |
Rise |
-0.022 |
2.308 |
11.464 |
0.009 |
0.123 |
-0.191 |
Tilt |
-0.125 |
0.005 |
0.009 |
0.044 |
-0.000 |
-0.002 |
Roll |
-0.012 |
0.048 |
0.123 |
-0.000 |
0.029 |
0.004 |
Twist |
-0.008 |
-0.123 |
-0.191 |
-0.002 |
0.004 |
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 |
1.215 |
0.006 |
0.048 |
-0.138 |
-0.012 |
-0.006 |
Slide |
0.006 |
2.880 |
2.403 |
0.016 |
0.066 |
-0.067 |
Rise |
0.048 |
2.403 |
10.735 |
0.019 |
0.125 |
-0.222 |
Tilt |
-0.138 |
0.016 |
0.019 |
0.041 |
-0.001 |
-0.001 |
Roll |
-0.012 |
0.066 |
0.125 |
-0.001 |
0.027 |
0.008 |
Twist |
-0.006 |
-0.067 |
-0.222 |
-0.001 |
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 |
1.262 |
-0.418 |
-0.937 |
-0.112 |
-0.011 |
0.000 |
Slide |
-0.418 |
2.233 |
1.039 |
0.003 |
-0.034 |
-0.114 |
Rise |
-0.937 |
1.039 |
10.551 |
0.309 |
-0.011 |
-0.181 |
Tilt |
-0.112 |
0.003 |
0.309 |
0.046 |
0.004 |
-0.002 |
Roll |
-0.011 |
-0.034 |
-0.011 |
0.004 |
0.021 |
0.009 |
Twist |
0.000 |
-0.114 |
-0.181 |
-0.002 |
0.009 |
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 |
0.756 |
-0.052 |
-0.458 |
-0.076 |
-0.002 |
0.020 |
Slide |
-0.052 |
2.438 |
0.665 |
0.021 |
0.022 |
-0.101 |
Rise |
-0.458 |
0.665 |
8.009 |
0.013 |
-0.088 |
-0.217 |
Tilt |
-0.076 |
0.021 |
0.013 |
0.028 |
0.002 |
-0.001 |
Roll |
-0.002 |
0.022 |
-0.088 |
0.002 |
0.019 |
0.009 |
Twist |
0.020 |
-0.101 |
-0.217 |
-0.001 |
0.009 |
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)