| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.099 |
1.247 |
0.585 |
-0.034 |
0.015 |
0.006 |
Slide |
1.247 |
3.519 |
1.497 |
-0.000 |
-0.048 |
-0.160 |
Rise |
0.585 |
1.497 |
10.581 |
-0.277 |
-0.039 |
-0.223 |
Tilt |
-0.034 |
-0.000 |
-0.277 |
0.049 |
0.001 |
0.009 |
Roll |
0.015 |
-0.048 |
-0.039 |
0.001 |
0.023 |
0.010 |
Twist |
0.006 |
-0.160 |
-0.223 |
0.009 |
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 |
1.790 |
0.983 |
0.367 |
-0.040 |
-0.016 |
0.055 |
Slide |
0.983 |
3.593 |
1.014 |
-0.032 |
-0.084 |
-0.153 |
Rise |
0.367 |
1.014 |
10.966 |
-0.268 |
-0.023 |
-0.181 |
Tilt |
-0.040 |
-0.032 |
-0.268 |
0.050 |
-0.000 |
0.007 |
Roll |
-0.016 |
-0.084 |
-0.023 |
-0.000 |
0.024 |
0.009 |
Twist |
0.055 |
-0.153 |
-0.181 |
0.007 |
0.009 |
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 |
1.111 |
0.539 |
0.350 |
-0.048 |
-0.004 |
0.042 |
Slide |
0.539 |
4.002 |
3.004 |
0.010 |
0.005 |
-0.083 |
Rise |
0.350 |
3.004 |
11.037 |
0.056 |
0.059 |
-0.198 |
Tilt |
-0.048 |
0.010 |
0.056 |
0.046 |
0.005 |
0.005 |
Roll |
-0.004 |
0.005 |
0.059 |
0.005 |
0.024 |
0.011 |
Twist |
0.042 |
-0.083 |
-0.198 |
0.005 |
0.011 |
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 |
1.258 |
0.350 |
0.430 |
-0.053 |
0.037 |
0.066 |
Slide |
0.350 |
2.470 |
1.679 |
-0.014 |
-0.039 |
-0.129 |
Rise |
0.430 |
1.679 |
10.363 |
-0.273 |
-0.002 |
-0.201 |
Tilt |
-0.053 |
-0.014 |
-0.273 |
0.047 |
-0.001 |
0.006 |
Roll |
0.037 |
-0.039 |
-0.002 |
-0.001 |
0.022 |
0.007 |
Twist |
0.066 |
-0.129 |
-0.201 |
0.006 |
0.007 |
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 |
1.528 |
0.374 |
0.269 |
-0.073 |
0.039 |
0.045 |
Slide |
0.374 |
2.346 |
1.521 |
0.008 |
-0.040 |
-0.105 |
Rise |
0.269 |
1.521 |
8.286 |
-0.189 |
-0.028 |
-0.215 |
Tilt |
-0.073 |
0.008 |
-0.189 |
0.045 |
0.002 |
0.006 |
Roll |
0.039 |
-0.040 |
-0.028 |
0.002 |
0.023 |
0.005 |
Twist |
0.045 |
-0.105 |
-0.215 |
0.006 |
0.005 |
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 |
1.909 |
0.436 |
0.428 |
-0.060 |
0.038 |
0.082 |
Slide |
0.436 |
2.936 |
1.348 |
0.007 |
-0.041 |
-0.150 |
Rise |
0.428 |
1.348 |
7.632 |
-0.166 |
-0.055 |
-0.115 |
Tilt |
-0.060 |
0.007 |
-0.166 |
0.042 |
0.004 |
0.005 |
Roll |
0.038 |
-0.041 |
-0.055 |
0.004 |
0.024 |
0.005 |
Twist |
0.082 |
-0.151 |
-0.115 |
0.005 |
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 |
1.691 |
-0.301 |
0.058 |
0.011 |
0.019 |
0.006 |
Slide |
-0.301 |
4.722 |
2.534 |
-0.033 |
-0.010 |
-0.091 |
Rise |
0.058 |
2.534 |
11.342 |
-0.031 |
0.085 |
-0.112 |
Tilt |
0.011 |
-0.033 |
-0.031 |
0.044 |
0.002 |
0.002 |
Roll |
0.019 |
-0.010 |
0.085 |
0.002 |
0.029 |
0.008 |
Twist |
0.006 |
-0.091 |
-0.112 |
0.002 |
0.008 |
0.050 |
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 |
0.692 |
-0.129 |
0.216 |
-0.072 |
0.001 |
0.000 |
Slide |
-0.129 |
3.164 |
0.418 |
0.022 |
0.021 |
-0.134 |
Rise |
0.216 |
0.418 |
8.555 |
0.028 |
-0.104 |
-0.225 |
Tilt |
-0.072 |
0.022 |
0.028 |
0.029 |
-0.000 |
0.000 |
Roll |
0.001 |
0.021 |
-0.104 |
-0.000 |
0.018 |
0.010 |
Twist |
0.000 |
-0.134 |
-0.225 |
0.000 |
0.010 |
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 |
0.931 |
-0.181 |
0.367 |
-0.075 |
-0.001 |
-0.015 |
Slide |
-0.181 |
2.477 |
0.927 |
-0.007 |
0.015 |
-0.110 |
Rise |
0.367 |
0.927 |
7.400 |
-0.003 |
-0.104 |
-0.225 |
Tilt |
-0.075 |
-0.007 |
-0.003 |
0.031 |
-0.001 |
0.002 |
Roll |
-0.001 |
0.015 |
-0.104 |
-0.001 |
0.021 |
0.011 |
Twist |
-0.015 |
-0.110 |
-0.225 |
0.002 |
0.011 |
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 |
1.365 |
-0.490 |
-0.410 |
-0.111 |
-0.034 |
0.000 |
Slide |
-0.490 |
1.795 |
1.703 |
-0.020 |
0.001 |
-0.084 |
Rise |
-0.410 |
1.703 |
10.400 |
0.307 |
-0.027 |
-0.188 |
Tilt |
-0.111 |
-0.020 |
0.307 |
0.052 |
0.000 |
-0.002 |
Roll |
-0.034 |
0.001 |
-0.027 |
0.000 |
0.020 |
0.008 |
Twist |
0.000 |
-0.084 |
-0.188 |
-0.002 |
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 |
1.204 |
0.532 |
0.960 |
-0.115 |
0.010 |
-0.017 |
Slide |
0.532 |
2.244 |
1.144 |
-0.005 |
-0.028 |
-0.105 |
Rise |
0.960 |
1.144 |
9.958 |
-0.275 |
-0.013 |
-0.182 |
Tilt |
-0.115 |
-0.005 |
-0.275 |
0.044 |
-0.004 |
0.002 |
Roll |
0.010 |
-0.028 |
-0.013 |
-0.004 |
0.022 |
0.010 |
Twist |
-0.017 |
-0.105 |
-0.182 |
0.002 |
0.010 |
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 |
1.276 |
-0.205 |
0.736 |
-0.141 |
0.048 |
0.066 |
Slide |
-0.205 |
1.537 |
1.805 |
-0.010 |
0.007 |
-0.088 |
Rise |
0.736 |
1.805 |
9.536 |
-0.283 |
0.004 |
-0.174 |
Tilt |
-0.141 |
-0.010 |
-0.283 |
0.046 |
-0.003 |
0.000 |
Roll |
0.048 |
0.007 |
0.004 |
-0.003 |
0.018 |
0.007 |
Twist |
0.066 |
-0.088 |
-0.174 |
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 |
1.231 |
-0.426 |
-0.255 |
-0.039 |
0.004 |
-0.060 |
Slide |
-0.426 |
4.139 |
2.877 |
0.004 |
0.038 |
-0.106 |
Rise |
-0.255 |
2.877 |
10.491 |
-0.023 |
0.097 |
-0.197 |
Tilt |
-0.039 |
0.004 |
-0.023 |
0.045 |
-0.005 |
-0.005 |
Roll |
0.004 |
0.038 |
0.097 |
-0.005 |
0.026 |
0.005 |
Twist |
-0.060 |
-0.106 |
-0.197 |
-0.005 |
0.005 |
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 |
0.513 |
-0.152 |
0.250 |
-0.057 |
0.009 |
-0.005 |
Slide |
-0.152 |
2.691 |
1.148 |
-0.014 |
0.013 |
-0.165 |
Rise |
0.250 |
1.148 |
7.874 |
-0.034 |
-0.085 |
-0.198 |
Tilt |
-0.057 |
-0.014 |
-0.034 |
0.029 |
-0.001 |
0.000 |
Roll |
0.009 |
0.013 |
-0.085 |
-0.001 |
0.016 |
0.009 |
Twist |
-0.005 |
-0.165 |
-0.198 |
0.000 |
0.009 |
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 |
0.424 |
0.065 |
-0.093 |
-0.053 |
0.004 |
-0.001 |
Slide |
0.065 |
2.932 |
0.750 |
0.009 |
0.023 |
-0.178 |
Rise |
-0.093 |
0.750 |
8.481 |
0.012 |
-0.098 |
-0.216 |
Tilt |
-0.053 |
0.009 |
0.012 |
0.028 |
0.000 |
0.001 |
Roll |
0.004 |
0.023 |
-0.098 |
0.000 |
0.017 |
0.012 |
Twist |
-0.001 |
-0.178 |
-0.216 |
0.001 |
0.012 |
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)