| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.581 |
0.573 |
0.538 |
-0.047 |
0.004 |
0.040 |
Slide |
0.573 |
2.980 |
1.160 |
-0.013 |
-0.085 |
-0.120 |
Rise |
0.538 |
1.160 |
10.222 |
-0.263 |
-0.045 |
-0.223 |
Tilt |
-0.047 |
-0.013 |
-0.263 |
0.047 |
-0.000 |
0.008 |
Roll |
0.004 |
-0.085 |
-0.045 |
-0.000 |
0.024 |
0.011 |
Twist |
0.040 |
-0.120 |
-0.223 |
0.008 |
0.011 |
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 |
2.093 |
1.230 |
0.584 |
-0.075 |
0.014 |
-0.007 |
Slide |
1.230 |
4.008 |
1.105 |
-0.022 |
-0.045 |
-0.152 |
Rise |
0.584 |
1.105 |
11.795 |
-0.293 |
-0.017 |
-0.239 |
Tilt |
-0.075 |
-0.022 |
-0.293 |
0.053 |
0.001 |
0.009 |
Roll |
0.014 |
-0.045 |
-0.017 |
0.001 |
0.022 |
0.009 |
Twist |
-0.007 |
-0.152 |
-0.239 |
0.009 |
0.009 |
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 |
2.125 |
-0.374 |
0.265 |
-0.060 |
0.000 |
0.071 |
Slide |
-0.374 |
4.180 |
3.000 |
-0.045 |
-0.005 |
-0.130 |
Rise |
0.265 |
3.000 |
10.849 |
0.056 |
0.070 |
-0.225 |
Tilt |
-0.060 |
-0.045 |
0.056 |
0.046 |
0.006 |
0.007 |
Roll |
0.000 |
-0.005 |
0.070 |
0.006 |
0.031 |
0.011 |
Twist |
0.071 |
-0.130 |
-0.225 |
0.007 |
0.011 |
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 |
2.025 |
0.495 |
0.583 |
-0.084 |
0.033 |
0.073 |
Slide |
0.495 |
2.982 |
1.768 |
0.011 |
-0.049 |
-0.139 |
Rise |
0.583 |
1.768 |
8.745 |
-0.223 |
-0.064 |
-0.197 |
Tilt |
-0.084 |
0.011 |
-0.223 |
0.049 |
0.004 |
0.009 |
Roll |
0.033 |
-0.049 |
-0.064 |
0.004 |
0.026 |
0.007 |
Twist |
0.073 |
-0.139 |
-0.197 |
0.009 |
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 |
1.079 |
0.299 |
0.034 |
0.014 |
-0.016 |
-0.008 |
Slide |
0.299 |
4.818 |
2.888 |
0.025 |
-0.047 |
-0.079 |
Rise |
0.034 |
2.888 |
11.368 |
0.004 |
0.084 |
-0.154 |
Tilt |
0.014 |
0.025 |
0.004 |
0.044 |
-0.002 |
0.001 |
Roll |
-0.016 |
-0.047 |
0.084 |
-0.002 |
0.026 |
0.013 |
Twist |
-0.008 |
-0.079 |
-0.154 |
0.001 |
0.013 |
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 |
1.170 |
-0.285 |
0.322 |
-0.059 |
-0.003 |
-0.024 |
Slide |
-0.285 |
2.842 |
0.959 |
-0.003 |
0.001 |
-0.136 |
Rise |
0.322 |
0.959 |
5.348 |
0.053 |
-0.081 |
-0.168 |
Tilt |
-0.059 |
-0.003 |
0.053 |
0.029 |
-0.002 |
-0.001 |
Roll |
-0.003 |
0.001 |
-0.081 |
-0.002 |
0.019 |
0.009 |
Twist |
-0.024 |
-0.136 |
-0.168 |
-0.001 |
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 |
1.384 |
-0.162 |
-0.138 |
-0.138 |
0.016 |
0.038 |
Slide |
-0.162 |
2.889 |
1.468 |
0.002 |
0.033 |
-0.106 |
Rise |
-0.138 |
1.468 |
7.019 |
0.006 |
-0.053 |
-0.161 |
Tilt |
-0.138 |
0.002 |
0.006 |
0.032 |
0.000 |
0.000 |
Roll |
0.016 |
0.033 |
-0.053 |
0.000 |
0.015 |
0.000 |
Twist |
0.038 |
-0.106 |
-0.161 |
0.000 |
0.000 |
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 |
1.670 |
-0.822 |
-0.393 |
-0.062 |
-0.016 |
-0.071 |
Slide |
-0.822 |
2.603 |
1.737 |
0.011 |
-0.033 |
-0.076 |
Rise |
-0.393 |
1.737 |
9.692 |
0.185 |
-0.085 |
-0.236 |
Tilt |
-0.062 |
0.011 |
0.185 |
0.046 |
-0.004 |
-0.010 |
Roll |
-0.016 |
-0.033 |
-0.085 |
-0.004 |
0.021 |
0.008 |
Twist |
-0.071 |
-0.076 |
-0.236 |
-0.010 |
0.008 |
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 |
1.130 |
0.233 |
0.799 |
-0.098 |
0.018 |
0.008 |
Slide |
0.233 |
2.192 |
1.634 |
-0.016 |
-0.038 |
-0.111 |
Rise |
0.799 |
1.634 |
10.453 |
-0.307 |
-0.042 |
-0.205 |
Tilt |
-0.098 |
-0.016 |
-0.307 |
0.043 |
-0.003 |
0.002 |
Roll |
0.018 |
-0.038 |
-0.042 |
-0.003 |
0.022 |
0.010 |
Twist |
0.008 |
-0.111 |
-0.205 |
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 |
2.128 |
0.839 |
-0.120 |
-0.121 |
0.013 |
-0.072 |
Slide |
0.839 |
3.303 |
2.616 |
0.023 |
0.070 |
-0.095 |
Rise |
-0.120 |
2.616 |
10.823 |
-0.019 |
0.125 |
-0.197 |
Tilt |
-0.121 |
0.023 |
-0.019 |
0.044 |
-0.001 |
-0.003 |
Roll |
0.013 |
0.070 |
0.125 |
-0.001 |
0.025 |
0.006 |
Twist |
-0.072 |
-0.095 |
-0.197 |
-0.003 |
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 |
1.216 |
0.236 |
0.516 |
-0.135 |
0.055 |
0.050 |
Slide |
0.236 |
2.140 |
1.740 |
-0.026 |
-0.018 |
-0.113 |
Rise |
0.517 |
1.740 |
10.712 |
-0.350 |
-0.006 |
-0.196 |
Tilt |
-0.135 |
-0.026 |
-0.350 |
0.052 |
-0.004 |
0.003 |
Roll |
0.055 |
-0.018 |
-0.006 |
-0.004 |
0.020 |
0.009 |
Twist |
0.050 |
-0.113 |
-0.196 |
0.003 |
0.009 |
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 |
1.205 |
0.190 |
-0.293 |
-0.043 |
-0.016 |
-0.014 |
Slide |
0.190 |
4.197 |
3.029 |
0.020 |
0.032 |
-0.094 |
Rise |
-0.293 |
3.029 |
11.753 |
-0.050 |
0.117 |
-0.211 |
Tilt |
-0.043 |
0.020 |
-0.050 |
0.044 |
-0.006 |
-0.004 |
Roll |
-0.016 |
0.032 |
0.117 |
-0.006 |
0.026 |
0.012 |
Twist |
-0.014 |
-0.094 |
-0.211 |
-0.004 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.463 |
0.136 |
-0.309 |
-0.054 |
0.013 |
-0.003 |
Slide |
0.136 |
2.546 |
0.906 |
0.015 |
0.026 |
-0.126 |
Rise |
-0.309 |
0.906 |
8.089 |
0.021 |
-0.096 |
-0.222 |
Tilt |
-0.054 |
0.015 |
0.021 |
0.027 |
-0.000 |
-0.001 |
Roll |
0.013 |
0.026 |
-0.096 |
-0.000 |
0.016 |
0.011 |
Twist |
-0.003 |
-0.126 |
-0.222 |
-0.001 |
0.011 |
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 |
0.778 |
-0.185 |
-0.104 |
-0.081 |
0.006 |
0.044 |
Slide |
-0.185 |
2.862 |
0.635 |
-0.008 |
0.014 |
-0.136 |
Rise |
-0.104 |
0.635 |
8.099 |
-0.053 |
-0.077 |
-0.201 |
Tilt |
-0.081 |
-0.008 |
-0.053 |
0.030 |
-0.000 |
-0.002 |
Roll |
0.006 |
0.014 |
-0.077 |
-0.000 |
0.016 |
0.008 |
Twist |
0.044 |
-0.136 |
-0.201 |
-0.002 |
0.008 |
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 |
0.907 |
-0.152 |
-0.138 |
-0.097 |
0.001 |
0.029 |
Slide |
-0.152 |
3.162 |
0.561 |
-0.005 |
0.043 |
-0.122 |
Rise |
-0.138 |
0.561 |
8.475 |
-0.065 |
-0.082 |
-0.216 |
Tilt |
-0.097 |
-0.005 |
-0.065 |
0.034 |
0.002 |
-0.003 |
Roll |
0.001 |
0.043 |
-0.082 |
0.002 |
0.017 |
0.008 |
Twist |
0.029 |
-0.122 |
-0.216 |
-0.003 |
0.008 |
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)