| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.589 |
1.633 |
0.502 |
-0.043 |
-0.009 |
-0.021 |
Slide |
1.633 |
4.331 |
0.934 |
0.020 |
-0.016 |
-0.133 |
Rise |
0.502 |
0.934 |
11.045 |
-0.293 |
0.018 |
-0.175 |
Tilt |
-0.043 |
0.020 |
-0.293 |
0.055 |
-0.002 |
0.003 |
Roll |
-0.009 |
-0.016 |
0.018 |
-0.002 |
0.025 |
0.003 |
Twist |
-0.021 |
-0.133 |
-0.175 |
0.003 |
0.003 |
0.064 |
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 |
2.312 |
1.417 |
0.661 |
-0.052 |
0.010 |
0.003 |
Slide |
1.417 |
4.061 |
1.128 |
-0.002 |
-0.045 |
-0.196 |
Rise |
0.661 |
1.128 |
10.009 |
-0.286 |
-0.013 |
-0.162 |
Tilt |
-0.052 |
-0.002 |
-0.286 |
0.048 |
-0.000 |
0.006 |
Roll |
0.010 |
-0.045 |
-0.013 |
-0.000 |
0.025 |
0.007 |
Twist |
0.003 |
-0.196 |
-0.162 |
0.006 |
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 |
1.767 |
0.087 |
0.324 |
-0.057 |
0.022 |
0.063 |
Slide |
0.087 |
4.473 |
3.489 |
-0.033 |
-0.010 |
-0.107 |
Rise |
0.324 |
3.489 |
11.299 |
0.020 |
0.047 |
-0.220 |
Tilt |
-0.057 |
-0.033 |
0.020 |
0.046 |
0.006 |
0.004 |
Roll |
0.022 |
-0.010 |
0.047 |
0.006 |
0.028 |
0.010 |
Twist |
0.063 |
-0.107 |
-0.220 |
0.004 |
0.010 |
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 |
2.807 |
0.003 |
0.125 |
-0.012 |
0.001 |
0.002 |
Slide |
0.003 |
5.936 |
2.199 |
-0.016 |
-0.030 |
-0.249 |
Rise |
0.125 |
2.199 |
11.167 |
-0.048 |
0.054 |
-0.102 |
Tilt |
-0.012 |
-0.016 |
-0.048 |
0.049 |
-0.001 |
0.004 |
Roll |
0.001 |
-0.030 |
0.054 |
-0.001 |
0.040 |
0.008 |
Twist |
0.002 |
-0.249 |
-0.102 |
0.004 |
0.008 |
0.082 |
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 |
2.902 |
-0.295 |
-0.135 |
-0.034 |
-0.002 |
0.026 |
Slide |
-0.295 |
6.136 |
2.888 |
0.010 |
-0.035 |
-0.224 |
Rise |
-0.135 |
2.888 |
11.464 |
0.004 |
0.053 |
-0.157 |
Tilt |
-0.034 |
0.010 |
0.004 |
0.051 |
0.002 |
-0.001 |
Roll |
-0.002 |
-0.035 |
0.053 |
0.002 |
0.038 |
0.012 |
Twist |
0.026 |
-0.224 |
-0.157 |
-0.001 |
0.012 |
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 |
1.357 |
-0.450 |
-0.423 |
-0.117 |
-0.028 |
-0.013 |
Slide |
-0.450 |
1.714 |
1.518 |
-0.033 |
-0.009 |
-0.086 |
Rise |
-0.423 |
1.518 |
10.135 |
0.296 |
-0.021 |
-0.177 |
Tilt |
-0.117 |
-0.033 |
0.296 |
0.051 |
0.002 |
0.001 |
Roll |
-0.028 |
-0.009 |
-0.021 |
0.002 |
0.020 |
0.008 |
Twist |
-0.013 |
-0.086 |
-0.177 |
0.001 |
0.008 |
0.034 |
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 |
1.184 |
-0.290 |
-0.068 |
-0.134 |
0.007 |
0.007 |
Slide |
-0.290 |
3.146 |
0.768 |
-0.009 |
0.011 |
-0.135 |
Rise |
-0.068 |
0.768 |
8.093 |
-0.013 |
-0.093 |
-0.243 |
Tilt |
-0.134 |
-0.009 |
-0.013 |
0.033 |
-0.001 |
-0.000 |
Roll |
0.007 |
0.011 |
-0.093 |
-0.001 |
0.018 |
0.007 |
Twist |
0.007 |
-0.135 |
-0.243 |
-0.000 |
0.007 |
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 |
0.988 |
-0.080 |
-0.141 |
-0.105 |
0.007 |
0.011 |
Slide |
-0.080 |
3.127 |
0.414 |
0.012 |
0.015 |
-0.137 |
Rise |
-0.141 |
0.414 |
8.740 |
0.015 |
-0.103 |
-0.251 |
Tilt |
-0.105 |
0.012 |
0.015 |
0.029 |
0.000 |
0.001 |
Roll |
0.007 |
0.015 |
-0.103 |
0.000 |
0.019 |
0.008 |
Twist |
0.011 |
-0.137 |
-0.251 |
0.001 |
0.008 |
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 |
1.716 |
0.698 |
0.851 |
-0.147 |
0.030 |
-0.021 |
Slide |
0.698 |
2.957 |
1.117 |
0.024 |
-0.040 |
-0.129 |
Rise |
0.851 |
1.117 |
11.397 |
-0.346 |
-0.011 |
-0.188 |
Tilt |
-0.147 |
0.024 |
-0.346 |
0.050 |
-0.005 |
0.001 |
Roll |
0.030 |
-0.040 |
-0.011 |
-0.005 |
0.025 |
0.011 |
Twist |
-0.021 |
-0.129 |
-0.188 |
0.001 |
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 |
1.189 |
0.287 |
0.751 |
-0.104 |
0.007 |
0.003 |
Slide |
0.287 |
2.526 |
1.009 |
0.036 |
-0.038 |
-0.133 |
Rise |
0.750 |
1.009 |
11.232 |
-0.370 |
-0.024 |
-0.209 |
Tilt |
-0.104 |
0.036 |
-0.370 |
0.050 |
-0.004 |
0.003 |
Roll |
0.007 |
-0.038 |
-0.024 |
-0.004 |
0.021 |
0.008 |
Twist |
0.003 |
-0.133 |
-0.209 |
0.003 |
0.008 |
0.024 |
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 |
1.733 |
0.385 |
-0.098 |
-0.041 |
-0.049 |
-0.008 |
Slide |
0.385 |
5.679 |
3.261 |
0.029 |
0.087 |
-0.173 |
Rise |
-0.098 |
3.261 |
12.459 |
0.001 |
0.194 |
-0.180 |
Tilt |
-0.041 |
0.029 |
0.001 |
0.050 |
-0.006 |
-0.003 |
Roll |
-0.049 |
0.087 |
0.194 |
-0.006 |
0.026 |
0.010 |
Twist |
-0.008 |
-0.173 |
-0.180 |
-0.003 |
0.010 |
0.053 |
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 |
1.209 |
-0.629 |
0.452 |
-0.054 |
0.010 |
0.006 |
Slide |
-0.629 |
4.207 |
0.556 |
0.000 |
0.034 |
-0.232 |
Rise |
0.452 |
0.556 |
9.415 |
-0.097 |
-0.092 |
-0.174 |
Tilt |
-0.054 |
0.000 |
-0.097 |
0.034 |
0.000 |
-0.005 |
Roll |
0.010 |
0.034 |
-0.092 |
0.000 |
0.017 |
0.012 |
Twist |
0.006 |
-0.232 |
-0.174 |
-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 |
1.863 |
-0.541 |
-0.185 |
-0.119 |
0.034 |
0.118 |
Slide |
-0.541 |
3.391 |
1.104 |
0.005 |
0.025 |
-0.132 |
Rise |
-0.185 |
1.104 |
7.723 |
-0.024 |
-0.032 |
-0.161 |
Tilt |
-0.119 |
0.005 |
-0.024 |
0.036 |
0.002 |
-0.001 |
Roll |
0.034 |
0.025 |
-0.032 |
0.002 |
0.015 |
0.004 |
Twist |
0.118 |
-0.132 |
-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 |
1.031 |
0.286 |
-0.456 |
-0.070 |
0.008 |
0.026 |
Slide |
0.286 |
2.664 |
0.878 |
0.003 |
0.015 |
-0.111 |
Rise |
-0.456 |
0.878 |
7.876 |
-0.006 |
-0.113 |
-0.228 |
Tilt |
-0.070 |
0.003 |
-0.006 |
0.030 |
0.002 |
0.001 |
Roll |
0.008 |
0.015 |
-0.113 |
0.002 |
0.020 |
0.010 |
Twist |
0.026 |
-0.111 |
-0.228 |
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 |
2.293 |
-1.331 |
-0.636 |
-0.039 |
-0.003 |
-0.033 |
Slide |
-1.331 |
4.252 |
1.417 |
-0.002 |
-0.057 |
-0.180 |
Rise |
-0.636 |
1.417 |
11.312 |
0.290 |
-0.018 |
-0.196 |
Tilt |
-0.039 |
-0.002 |
0.290 |
0.055 |
-0.001 |
-0.010 |
Roll |
-0.003 |
-0.057 |
-0.018 |
-0.001 |
0.026 |
0.005 |
Twist |
-0.033 |
-0.180 |
-0.196 |
-0.010 |
0.005 |
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)