| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.963 |
0.315 |
0.425 |
-0.041 |
0.015 |
0.041 |
Slide |
0.315 |
4.053 |
3.039 |
0.005 |
0.017 |
-0.096 |
Rise |
0.425 |
3.039 |
10.993 |
0.063 |
0.093 |
-0.202 |
Tilt |
-0.041 |
0.005 |
0.063 |
0.043 |
0.005 |
0.005 |
Roll |
0.015 |
0.017 |
0.093 |
0.005 |
0.023 |
0.007 |
Twist |
0.041 |
-0.096 |
-0.202 |
0.005 |
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 |
1.783 |
0.732 |
0.539 |
-0.050 |
0.036 |
0.077 |
Slide |
0.732 |
2.760 |
1.732 |
-0.000 |
-0.021 |
-0.100 |
Rise |
0.539 |
1.732 |
9.760 |
-0.224 |
-0.020 |
-0.240 |
Tilt |
-0.050 |
-0.000 |
-0.224 |
0.048 |
0.002 |
0.011 |
Roll |
0.036 |
-0.021 |
-0.020 |
0.002 |
0.022 |
0.009 |
Twist |
0.077 |
-0.100 |
-0.240 |
0.011 |
0.009 |
0.040 |
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 |
-0.367 |
-0.222 |
-0.011 |
0.018 |
-0.005 |
Slide |
-0.367 |
5.255 |
2.940 |
-0.006 |
-0.072 |
-0.109 |
Rise |
-0.222 |
2.940 |
11.279 |
-0.035 |
0.041 |
-0.166 |
Tilt |
-0.011 |
-0.006 |
-0.035 |
0.049 |
0.000 |
0.000 |
Roll |
0.018 |
-0.072 |
0.041 |
0.000 |
0.030 |
0.015 |
Twist |
-0.005 |
-0.109 |
-0.166 |
0.000 |
0.015 |
0.048 |
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 |
1.680 |
-0.344 |
-0.195 |
0.001 |
-0.003 |
0.000 |
Slide |
-0.344 |
4.648 |
2.850 |
-0.015 |
-0.067 |
-0.102 |
Rise |
-0.195 |
2.850 |
11.353 |
-0.028 |
0.041 |
-0.155 |
Tilt |
0.001 |
-0.015 |
-0.028 |
0.046 |
0.001 |
-0.002 |
Roll |
-0.003 |
-0.067 |
0.041 |
0.001 |
0.030 |
0.013 |
Twist |
0.000 |
-0.102 |
-0.155 |
-0.002 |
0.013 |
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 |
1.234 |
0.363 |
0.368 |
-0.002 |
-0.005 |
-0.008 |
Slide |
0.363 |
4.457 |
2.658 |
0.002 |
-0.029 |
-0.089 |
Rise |
0.368 |
2.658 |
10.925 |
0.024 |
0.081 |
-0.153 |
Tilt |
-0.002 |
0.002 |
0.024 |
0.044 |
-0.001 |
0.001 |
Roll |
-0.005 |
-0.029 |
0.081 |
-0.001 |
0.027 |
0.013 |
Twist |
-0.008 |
-0.089 |
-0.153 |
0.001 |
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 |
0.797 |
-0.126 |
0.524 |
-0.072 |
-0.003 |
-0.025 |
Slide |
-0.126 |
2.645 |
0.629 |
-0.017 |
0.026 |
-0.106 |
Rise |
0.524 |
0.629 |
8.255 |
-0.009 |
-0.109 |
-0.237 |
Tilt |
-0.072 |
-0.017 |
-0.009 |
0.029 |
-0.002 |
-0.001 |
Roll |
-0.003 |
0.026 |
-0.109 |
-0.002 |
0.020 |
0.010 |
Twist |
-0.025 |
-0.106 |
-0.237 |
-0.001 |
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 |
1.231 |
-0.465 |
-0.161 |
-0.117 |
0.014 |
0.022 |
Slide |
-0.465 |
2.439 |
1.404 |
-0.006 |
0.008 |
-0.108 |
Rise |
-0.161 |
1.404 |
7.564 |
-0.004 |
-0.091 |
-0.239 |
Tilt |
-0.117 |
-0.006 |
-0.004 |
0.031 |
-0.001 |
-0.003 |
Roll |
0.014 |
0.008 |
-0.091 |
-0.001 |
0.017 |
0.007 |
Twist |
0.022 |
-0.108 |
-0.239 |
-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 |
1.541 |
-0.574 |
-0.618 |
-0.054 |
-0.018 |
-0.070 |
Slide |
-0.574 |
2.617 |
1.607 |
-0.007 |
-0.034 |
-0.117 |
Rise |
-0.618 |
1.607 |
9.340 |
0.242 |
-0.005 |
-0.183 |
Tilt |
-0.054 |
-0.007 |
0.242 |
0.050 |
-0.001 |
-0.009 |
Roll |
-0.018 |
-0.034 |
-0.005 |
-0.001 |
0.021 |
0.007 |
Twist |
-0.070 |
-0.117 |
-0.183 |
-0.009 |
0.007 |
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 |
1.663 |
0.904 |
0.673 |
-0.097 |
0.018 |
-0.068 |
Slide |
0.904 |
2.845 |
1.077 |
0.050 |
-0.047 |
-0.154 |
Rise |
0.673 |
1.077 |
10.571 |
-0.337 |
-0.033 |
-0.160 |
Tilt |
-0.097 |
0.050 |
-0.337 |
0.051 |
-0.003 |
-0.001 |
Roll |
0.018 |
-0.047 |
-0.033 |
-0.003 |
0.024 |
0.012 |
Twist |
-0.068 |
-0.154 |
-0.160 |
-0.001 |
0.012 |
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 |
1.492 |
0.664 |
0.500 |
-0.081 |
0.014 |
-0.049 |
Slide |
0.664 |
2.733 |
1.115 |
0.042 |
-0.036 |
-0.132 |
Rise |
0.500 |
1.115 |
10.657 |
-0.322 |
-0.011 |
-0.116 |
Tilt |
-0.081 |
0.042 |
-0.322 |
0.046 |
-0.003 |
-0.003 |
Roll |
0.014 |
-0.036 |
-0.011 |
-0.003 |
0.021 |
0.009 |
Twist |
-0.049 |
-0.132 |
-0.116 |
-0.003 |
0.009 |
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 |
1.273 |
0.148 |
0.007 |
-0.136 |
0.007 |
-0.011 |
Slide |
0.148 |
3.724 |
2.754 |
-0.000 |
0.081 |
-0.119 |
Rise |
0.007 |
2.754 |
11.260 |
0.009 |
0.136 |
-0.229 |
Tilt |
-0.136 |
-0.000 |
0.009 |
0.045 |
-0.001 |
-0.000 |
Roll |
0.007 |
0.081 |
0.136 |
-0.001 |
0.025 |
0.006 |
Twist |
-0.011 |
-0.119 |
-0.229 |
-0.000 |
0.006 |
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 |
0.559 |
-0.079 |
0.070 |
-0.056 |
0.002 |
0.010 |
Slide |
-0.079 |
2.222 |
1.331 |
-0.004 |
0.041 |
-0.112 |
Rise |
0.070 |
1.331 |
6.941 |
-0.017 |
-0.059 |
-0.197 |
Tilt |
-0.056 |
-0.004 |
-0.017 |
0.027 |
-0.000 |
-0.001 |
Roll |
0.002 |
0.041 |
-0.059 |
-0.000 |
0.014 |
0.007 |
Twist |
0.010 |
-0.112 |
-0.197 |
-0.001 |
0.007 |
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 |
0.510 |
-0.111 |
0.006 |
-0.054 |
0.007 |
0.011 |
Slide |
-0.111 |
2.314 |
0.888 |
-0.001 |
0.025 |
-0.123 |
Rise |
0.006 |
0.888 |
7.384 |
0.000 |
-0.082 |
-0.200 |
Tilt |
-0.054 |
-0.001 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.007 |
0.025 |
-0.082 |
0.000 |
0.016 |
0.010 |
Twist |
0.011 |
-0.123 |
-0.200 |
0.000 |
0.010 |
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 |
1.033 |
-0.339 |
-0.223 |
-0.102 |
0.018 |
0.054 |
Slide |
-0.339 |
2.576 |
1.054 |
-0.002 |
0.020 |
-0.093 |
Rise |
-0.223 |
1.054 |
7.251 |
-0.026 |
-0.061 |
-0.192 |
Tilt |
-0.102 |
-0.002 |
-0.026 |
0.031 |
0.002 |
-0.001 |
Roll |
0.018 |
0.020 |
-0.061 |
0.002 |
0.017 |
0.008 |
Twist |
0.054 |
-0.093 |
-0.192 |
-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 |
0.802 |
-0.048 |
-0.381 |
-0.073 |
0.007 |
-0.004 |
Slide |
-0.048 |
2.972 |
0.573 |
-0.008 |
0.019 |
-0.125 |
Rise |
-0.381 |
0.573 |
7.972 |
-0.033 |
-0.124 |
-0.242 |
Tilt |
-0.073 |
-0.008 |
-0.033 |
0.030 |
0.002 |
-0.000 |
Roll |
0.007 |
0.019 |
-0.124 |
0.002 |
0.019 |
0.010 |
Twist |
-0.004 |
-0.125 |
-0.242 |
-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)