| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.869 |
1.401 |
0.540 |
-0.030 |
-0.020 |
-0.053 |
Slide |
1.401 |
4.843 |
1.255 |
-0.004 |
-0.024 |
-0.152 |
Rise |
0.540 |
1.255 |
11.529 |
-0.339 |
-0.005 |
-0.204 |
Tilt |
-0.030 |
-0.004 |
-0.339 |
0.057 |
-0.001 |
0.006 |
Roll |
-0.020 |
-0.024 |
-0.005 |
-0.001 |
0.025 |
0.003 |
Twist |
-0.053 |
-0.152 |
-0.204 |
0.006 |
0.003 |
0.069 |
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 |
2.079 |
1.211 |
0.651 |
-0.056 |
0.004 |
0.017 |
Slide |
1.211 |
3.751 |
1.483 |
-0.012 |
-0.034 |
-0.176 |
Rise |
0.651 |
1.483 |
10.387 |
-0.279 |
-0.026 |
-0.199 |
Tilt |
-0.056 |
-0.012 |
-0.279 |
0.047 |
-0.001 |
0.006 |
Roll |
0.004 |
-0.034 |
-0.026 |
-0.001 |
0.025 |
0.006 |
Twist |
0.017 |
-0.176 |
-0.199 |
0.006 |
0.006 |
0.043 |
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 |
1.744 |
0.012 |
0.313 |
-0.062 |
0.012 |
0.066 |
Slide |
0.012 |
4.482 |
3.238 |
-0.023 |
-0.014 |
-0.112 |
Rise |
0.313 |
3.238 |
10.903 |
0.035 |
0.064 |
-0.189 |
Tilt |
-0.062 |
-0.023 |
0.035 |
0.047 |
0.008 |
0.005 |
Roll |
0.012 |
-0.014 |
0.064 |
0.008 |
0.031 |
0.012 |
Twist |
0.066 |
-0.112 |
-0.189 |
0.005 |
0.012 |
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 |
2.896 |
0.031 |
0.129 |
-0.014 |
0.002 |
-0.004 |
Slide |
0.031 |
7.043 |
2.806 |
-0.003 |
-0.010 |
-0.306 |
Rise |
0.129 |
2.806 |
12.326 |
-0.008 |
0.044 |
-0.161 |
Tilt |
-0.014 |
-0.003 |
-0.008 |
0.053 |
-0.001 |
-0.000 |
Roll |
0.002 |
-0.010 |
0.044 |
-0.001 |
0.043 |
0.005 |
Twist |
-0.004 |
-0.306 |
-0.161 |
-0.000 |
0.005 |
0.086 |
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 |
2.824 |
-0.204 |
0.015 |
-0.031 |
-0.013 |
0.004 |
Slide |
-0.204 |
5.798 |
2.696 |
-0.015 |
-0.044 |
-0.187 |
Rise |
0.015 |
2.696 |
11.403 |
0.006 |
0.066 |
-0.142 |
Tilt |
-0.031 |
-0.015 |
0.006 |
0.049 |
0.001 |
-0.001 |
Roll |
-0.013 |
-0.044 |
0.066 |
0.001 |
0.037 |
0.009 |
Twist |
0.004 |
-0.187 |
-0.142 |
-0.001 |
0.009 |
0.063 |
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 |
1.401 |
-0.381 |
-0.535 |
-0.130 |
-0.034 |
-0.005 |
Slide |
-0.381 |
1.866 |
1.595 |
-0.049 |
-0.005 |
-0.103 |
Rise |
-0.535 |
1.595 |
10.421 |
0.294 |
-0.012 |
-0.192 |
Tilt |
-0.130 |
-0.049 |
0.294 |
0.052 |
0.003 |
0.002 |
Roll |
-0.034 |
-0.005 |
-0.012 |
0.003 |
0.021 |
0.008 |
Twist |
-0.005 |
-0.103 |
-0.192 |
0.002 |
0.008 |
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 |
1.269 |
-0.380 |
-0.006 |
-0.124 |
0.003 |
-0.006 |
Slide |
-0.380 |
3.495 |
0.591 |
-0.007 |
-0.002 |
-0.163 |
Rise |
-0.006 |
0.591 |
8.470 |
-0.020 |
-0.077 |
-0.220 |
Tilt |
-0.124 |
-0.007 |
-0.020 |
0.033 |
-0.000 |
-0.001 |
Roll |
0.003 |
-0.002 |
-0.077 |
-0.000 |
0.018 |
0.007 |
Twist |
-0.006 |
-0.163 |
-0.220 |
-0.001 |
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 |
0.962 |
-0.080 |
0.003 |
-0.106 |
0.000 |
0.005 |
Slide |
-0.080 |
3.213 |
0.271 |
0.005 |
0.003 |
-0.153 |
Rise |
0.003 |
0.272 |
8.523 |
0.002 |
-0.097 |
-0.227 |
Tilt |
-0.106 |
0.005 |
0.002 |
0.029 |
0.001 |
0.002 |
Roll |
0.000 |
0.003 |
-0.097 |
0.001 |
0.018 |
0.008 |
Twist |
0.005 |
-0.153 |
-0.227 |
0.002 |
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 |
1.873 |
0.792 |
0.739 |
-0.121 |
0.030 |
-0.023 |
Slide |
0.792 |
3.271 |
0.934 |
0.049 |
-0.043 |
-0.140 |
Rise |
0.739 |
0.934 |
11.704 |
-0.366 |
-0.003 |
-0.163 |
Tilt |
-0.121 |
0.049 |
-0.366 |
0.051 |
-0.005 |
-0.001 |
Roll |
0.030 |
-0.043 |
-0.003 |
-0.005 |
0.027 |
0.012 |
Twist |
-0.023 |
-0.140 |
-0.163 |
-0.001 |
0.012 |
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 |
1.111 |
0.185 |
0.784 |
-0.111 |
0.014 |
0.007 |
Slide |
0.185 |
2.419 |
0.742 |
0.043 |
-0.040 |
-0.139 |
Rise |
0.784 |
0.742 |
11.223 |
-0.367 |
-0.032 |
-0.198 |
Tilt |
-0.111 |
0.043 |
-0.367 |
0.049 |
-0.004 |
0.001 |
Roll |
0.014 |
-0.040 |
-0.032 |
-0.004 |
0.022 |
0.010 |
Twist |
0.007 |
-0.139 |
-0.198 |
0.001 |
0.010 |
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 |
1.993 |
0.414 |
-0.168 |
-0.035 |
-0.044 |
-0.001 |
Slide |
0.414 |
5.782 |
3.102 |
0.023 |
0.076 |
-0.183 |
Rise |
-0.168 |
3.102 |
12.314 |
-0.025 |
0.188 |
-0.211 |
Tilt |
-0.035 |
0.023 |
-0.025 |
0.049 |
-0.006 |
-0.002 |
Roll |
-0.044 |
0.076 |
0.188 |
-0.006 |
0.026 |
0.010 |
Twist |
-0.001 |
-0.183 |
-0.211 |
-0.002 |
0.010 |
0.054 |
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 |
1.573 |
-0.700 |
0.436 |
-0.054 |
0.019 |
-0.001 |
Slide |
-0.700 |
4.636 |
0.308 |
-0.014 |
0.031 |
-0.263 |
Rise |
0.436 |
0.308 |
9.568 |
-0.114 |
-0.093 |
-0.174 |
Tilt |
-0.054 |
-0.014 |
-0.114 |
0.035 |
-0.001 |
-0.005 |
Roll |
0.019 |
0.031 |
-0.093 |
-0.001 |
0.018 |
0.014 |
Twist |
-0.001 |
-0.263 |
-0.174 |
-0.005 |
0.014 |
0.054 |
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 |
1.898 |
-0.518 |
-0.117 |
-0.119 |
0.030 |
0.113 |
Slide |
-0.518 |
3.106 |
0.795 |
0.005 |
0.030 |
-0.135 |
Rise |
-0.117 |
0.795 |
7.698 |
-0.021 |
-0.039 |
-0.161 |
Tilt |
-0.119 |
0.005 |
-0.021 |
0.035 |
0.002 |
-0.001 |
Roll |
0.030 |
0.030 |
-0.039 |
0.002 |
0.016 |
0.004 |
Twist |
0.113 |
-0.135 |
-0.161 |
-0.001 |
0.004 |
0.043 |
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 |
1.052 |
0.282 |
-0.492 |
-0.072 |
0.015 |
0.031 |
Slide |
0.282 |
2.682 |
0.863 |
0.017 |
0.011 |
-0.117 |
Rise |
-0.492 |
0.863 |
7.612 |
0.006 |
-0.085 |
-0.199 |
Tilt |
-0.072 |
0.017 |
0.006 |
0.032 |
0.001 |
-0.001 |
Roll |
0.015 |
0.011 |
-0.085 |
0.001 |
0.019 |
0.009 |
Twist |
0.031 |
-0.117 |
-0.199 |
-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 |
2.506 |
-1.447 |
-0.713 |
-0.051 |
0.008 |
0.021 |
Slide |
-1.447 |
4.271 |
1.230 |
-0.010 |
-0.047 |
-0.180 |
Rise |
-0.713 |
1.230 |
10.899 |
0.272 |
-0.023 |
-0.224 |
Tilt |
-0.051 |
-0.010 |
0.272 |
0.053 |
-0.000 |
-0.009 |
Roll |
0.008 |
-0.047 |
-0.023 |
-0.000 |
0.025 |
0.007 |
Twist |
0.021 |
-0.180 |
-0.224 |
-0.009 |
0.007 |
0.051 |
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)