| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.872 |
-0.175 |
0.319 |
-0.049 |
0.014 |
0.036 |
Slide |
-0.175 |
3.977 |
2.577 |
-0.003 |
0.036 |
-0.092 |
Rise |
0.319 |
2.577 |
10.624 |
0.057 |
0.112 |
-0.181 |
Tilt |
-0.049 |
-0.003 |
0.057 |
0.044 |
0.006 |
0.003 |
Roll |
0.014 |
0.036 |
0.112 |
0.006 |
0.025 |
0.012 |
Twist |
0.036 |
-0.092 |
-0.181 |
0.003 |
0.012 |
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 |
0.925 |
-0.062 |
0.311 |
-0.064 |
0.045 |
0.038 |
Slide |
-0.062 |
2.209 |
1.853 |
-0.025 |
-0.052 |
-0.090 |
Rise |
0.311 |
1.853 |
9.546 |
-0.267 |
-0.057 |
-0.236 |
Tilt |
-0.064 |
-0.025 |
-0.267 |
0.047 |
0.003 |
0.009 |
Roll |
0.045 |
-0.052 |
-0.057 |
0.003 |
0.020 |
0.009 |
Twist |
0.038 |
-0.090 |
-0.236 |
0.009 |
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 |
1.509 |
0.137 |
0.282 |
-0.066 |
0.050 |
0.049 |
Slide |
0.137 |
2.263 |
1.516 |
-0.018 |
-0.044 |
-0.094 |
Rise |
0.282 |
1.516 |
7.959 |
-0.218 |
-0.050 |
-0.205 |
Tilt |
-0.066 |
-0.018 |
-0.218 |
0.046 |
0.003 |
0.009 |
Roll |
0.050 |
-0.044 |
-0.050 |
0.003 |
0.023 |
0.006 |
Twist |
0.049 |
-0.094 |
-0.205 |
0.009 |
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 |
2.188 |
0.106 |
0.049 |
-0.009 |
0.016 |
-0.024 |
Slide |
0.106 |
5.390 |
2.779 |
0.026 |
-0.070 |
-0.083 |
Rise |
0.049 |
2.779 |
11.708 |
0.013 |
0.067 |
-0.123 |
Tilt |
-0.009 |
0.026 |
0.013 |
0.047 |
0.000 |
-0.000 |
Roll |
0.016 |
-0.070 |
0.067 |
0.000 |
0.032 |
0.012 |
Twist |
-0.024 |
-0.083 |
-0.123 |
-0.000 |
0.012 |
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 |
0.988 |
-0.018 |
-0.077 |
-0.124 |
0.001 |
0.002 |
Slide |
-0.018 |
3.080 |
0.388 |
-0.008 |
0.005 |
-0.146 |
Rise |
-0.077 |
0.388 |
8.672 |
0.009 |
-0.120 |
-0.257 |
Tilt |
-0.124 |
-0.008 |
0.009 |
0.031 |
-0.000 |
0.001 |
Roll |
0.001 |
0.005 |
-0.120 |
-0.000 |
0.018 |
0.008 |
Twist |
0.002 |
-0.146 |
-0.257 |
0.001 |
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 |
1.218 |
-0.099 |
0.044 |
-0.156 |
-0.010 |
-0.005 |
Slide |
-0.099 |
2.938 |
1.002 |
0.005 |
0.023 |
-0.096 |
Rise |
0.044 |
1.002 |
8.236 |
0.025 |
-0.053 |
-0.188 |
Tilt |
-0.156 |
0.005 |
0.025 |
0.035 |
-0.000 |
-0.000 |
Roll |
-0.010 |
0.023 |
-0.053 |
-0.000 |
0.015 |
0.003 |
Twist |
-0.005 |
-0.096 |
-0.188 |
-0.000 |
0.003 |
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 |
0.956 |
-0.104 |
0.123 |
-0.121 |
0.004 |
0.002 |
Slide |
-0.104 |
3.169 |
0.471 |
-0.019 |
0.006 |
-0.153 |
Rise |
0.123 |
0.471 |
8.834 |
-0.030 |
-0.065 |
-0.224 |
Tilt |
-0.121 |
-0.019 |
-0.030 |
0.032 |
-0.001 |
0.000 |
Roll |
0.004 |
0.006 |
-0.065 |
-0.001 |
0.017 |
0.006 |
Twist |
0.002 |
-0.153 |
-0.224 |
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 |
1.749 |
-0.748 |
-0.486 |
-0.060 |
-0.040 |
-0.072 |
Slide |
-0.748 |
2.722 |
1.615 |
0.005 |
-0.001 |
-0.085 |
Rise |
-0.486 |
1.615 |
9.398 |
0.210 |
-0.018 |
-0.217 |
Tilt |
-0.060 |
0.005 |
0.210 |
0.048 |
-0.001 |
-0.010 |
Roll |
-0.040 |
-0.001 |
-0.018 |
-0.001 |
0.020 |
0.007 |
Twist |
-0.072 |
-0.085 |
-0.217 |
-0.010 |
0.007 |
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 |
1.075 |
0.360 |
0.751 |
-0.111 |
0.027 |
0.016 |
Slide |
0.360 |
2.377 |
0.863 |
0.024 |
-0.032 |
-0.119 |
Rise |
0.751 |
0.862 |
10.919 |
-0.339 |
-0.013 |
-0.176 |
Tilt |
-0.111 |
0.024 |
-0.338 |
0.046 |
-0.003 |
0.001 |
Roll |
0.027 |
-0.032 |
-0.013 |
-0.003 |
0.023 |
0.012 |
Twist |
0.016 |
-0.119 |
-0.176 |
0.001 |
0.012 |
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 |
1.290 |
0.466 |
1.149 |
-0.130 |
0.018 |
-0.008 |
Slide |
0.466 |
2.205 |
1.200 |
-0.002 |
-0.016 |
-0.118 |
Rise |
1.149 |
1.200 |
9.999 |
-0.316 |
0.011 |
-0.168 |
Tilt |
-0.130 |
-0.002 |
-0.316 |
0.049 |
-0.005 |
0.001 |
Roll |
0.018 |
-0.016 |
0.011 |
-0.005 |
0.022 |
0.009 |
Twist |
-0.008 |
-0.118 |
-0.168 |
0.001 |
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 |
1.372 |
0.720 |
0.788 |
-0.107 |
0.016 |
-0.047 |
Slide |
0.720 |
2.677 |
1.552 |
0.005 |
-0.012 |
-0.140 |
Rise |
0.789 |
1.552 |
9.917 |
-0.300 |
-0.025 |
-0.149 |
Tilt |
-0.107 |
0.005 |
-0.300 |
0.047 |
-0.004 |
0.001 |
Roll |
0.016 |
-0.012 |
-0.025 |
-0.004 |
0.023 |
0.008 |
Twist |
-0.047 |
-0.140 |
-0.149 |
0.001 |
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 |
1.362 |
0.086 |
-0.022 |
-0.145 |
0.021 |
0.003 |
Slide |
0.086 |
2.630 |
2.410 |
-0.026 |
0.058 |
-0.034 |
Rise |
-0.022 |
2.410 |
11.285 |
-0.004 |
0.122 |
-0.214 |
Tilt |
-0.145 |
-0.026 |
-0.004 |
0.042 |
-0.000 |
0.001 |
Roll |
0.021 |
0.058 |
0.122 |
-0.000 |
0.027 |
0.008 |
Twist |
0.003 |
-0.034 |
-0.214 |
0.001 |
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 |
1.160 |
0.148 |
0.862 |
-0.162 |
0.060 |
0.037 |
Slide |
0.148 |
1.976 |
1.657 |
-0.011 |
0.001 |
-0.118 |
Rise |
0.862 |
1.657 |
10.471 |
-0.359 |
0.011 |
-0.189 |
Tilt |
-0.162 |
-0.011 |
-0.359 |
0.055 |
-0.004 |
0.001 |
Roll |
0.060 |
0.001 |
0.011 |
-0.004 |
0.022 |
0.008 |
Twist |
0.037 |
-0.118 |
-0.189 |
0.001 |
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 |
0.535 |
0.166 |
-0.367 |
-0.062 |
-0.003 |
0.001 |
Slide |
0.166 |
3.275 |
0.519 |
0.011 |
0.025 |
-0.178 |
Rise |
-0.367 |
0.519 |
8.962 |
0.063 |
-0.090 |
-0.217 |
Tilt |
-0.062 |
0.011 |
0.063 |
0.030 |
0.000 |
0.001 |
Roll |
-0.003 |
0.025 |
-0.090 |
0.000 |
0.017 |
0.011 |
Twist |
0.001 |
-0.178 |
-0.217 |
0.001 |
0.011 |
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 |
1.294 |
-0.625 |
-0.577 |
-0.096 |
-0.006 |
0.025 |
Slide |
-0.625 |
2.662 |
1.047 |
-0.049 |
-0.042 |
-0.126 |
Rise |
-0.577 |
1.047 |
10.715 |
0.343 |
-0.011 |
-0.142 |
Tilt |
-0.096 |
-0.049 |
0.343 |
0.049 |
0.003 |
0.001 |
Roll |
-0.006 |
-0.042 |
-0.011 |
0.003 |
0.022 |
0.010 |
Twist |
0.025 |
-0.126 |
-0.142 |
0.001 |
0.010 |
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)