| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.582 |
0.260 |
0.460 |
-0.047 |
0.009 |
0.068 |
Slide |
0.259 |
2.758 |
1.213 |
-0.019 |
-0.102 |
-0.118 |
Rise |
0.460 |
1.213 |
10.260 |
-0.292 |
-0.071 |
-0.211 |
Tilt |
-0.047 |
-0.019 |
-0.292 |
0.049 |
0.001 |
0.007 |
Roll |
0.009 |
-0.102 |
-0.071 |
0.001 |
0.024 |
0.013 |
Twist |
0.068 |
-0.118 |
-0.211 |
0.007 |
0.013 |
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 |
1.563 |
-0.639 |
0.355 |
-0.055 |
0.027 |
0.048 |
Slide |
-0.639 |
4.337 |
3.079 |
-0.049 |
0.023 |
-0.094 |
Rise |
0.355 |
3.079 |
11.432 |
0.015 |
0.105 |
-0.210 |
Tilt |
-0.055 |
-0.049 |
0.015 |
0.048 |
0.005 |
0.006 |
Roll |
0.027 |
0.023 |
0.105 |
0.005 |
0.027 |
0.012 |
Twist |
0.048 |
-0.094 |
-0.210 |
0.006 |
0.012 |
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 |
1.871 |
0.365 |
0.868 |
-0.096 |
0.036 |
0.086 |
Slide |
0.365 |
2.710 |
1.592 |
-0.006 |
-0.029 |
-0.130 |
Rise |
0.868 |
1.592 |
9.432 |
-0.224 |
-0.034 |
-0.193 |
Tilt |
-0.096 |
-0.006 |
-0.224 |
0.049 |
0.004 |
0.009 |
Roll |
0.036 |
-0.029 |
-0.034 |
0.004 |
0.022 |
0.006 |
Twist |
0.086 |
-0.130 |
-0.193 |
0.009 |
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 |
1.435 |
0.163 |
0.110 |
0.003 |
0.013 |
-0.011 |
Slide |
0.163 |
4.850 |
3.263 |
-0.003 |
-0.082 |
-0.087 |
Rise |
0.110 |
3.263 |
12.206 |
-0.021 |
0.063 |
-0.159 |
Tilt |
0.003 |
-0.003 |
-0.021 |
0.045 |
-0.001 |
0.001 |
Roll |
0.013 |
-0.082 |
0.063 |
-0.001 |
0.031 |
0.016 |
Twist |
-0.011 |
-0.087 |
-0.159 |
0.001 |
0.016 |
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 |
0.850 |
0.289 |
0.160 |
-0.101 |
0.008 |
-0.051 |
Slide |
0.289 |
2.946 |
1.320 |
-0.005 |
0.020 |
-0.149 |
Rise |
0.160 |
1.320 |
7.487 |
0.019 |
-0.063 |
-0.214 |
Tilt |
-0.101 |
-0.005 |
0.019 |
0.032 |
-0.001 |
0.003 |
Roll |
0.008 |
0.020 |
-0.063 |
-0.001 |
0.015 |
0.007 |
Twist |
-0.051 |
-0.149 |
-0.214 |
0.003 |
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 |
1.287 |
-0.328 |
-0.068 |
-0.120 |
0.009 |
-0.018 |
Slide |
-0.328 |
3.724 |
0.301 |
0.007 |
-0.011 |
-0.163 |
Rise |
-0.068 |
0.301 |
8.915 |
-0.013 |
-0.093 |
-0.260 |
Tilt |
-0.120 |
0.007 |
-0.013 |
0.035 |
-0.001 |
-0.001 |
Roll |
0.009 |
-0.011 |
-0.093 |
-0.001 |
0.018 |
0.009 |
Twist |
-0.018 |
-0.163 |
-0.260 |
-0.001 |
0.009 |
0.031 |
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 |
1.218 |
0.040 |
0.080 |
-0.154 |
-0.003 |
-0.014 |
Slide |
0.040 |
2.934 |
1.263 |
-0.011 |
0.030 |
-0.091 |
Rise |
0.080 |
1.263 |
7.214 |
-0.015 |
-0.045 |
-0.184 |
Tilt |
-0.154 |
-0.011 |
-0.015 |
0.036 |
-0.000 |
0.001 |
Roll |
-0.003 |
0.030 |
-0.045 |
-0.000 |
0.015 |
0.002 |
Twist |
-0.014 |
-0.091 |
-0.184 |
0.001 |
0.002 |
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 |
1.566 |
-0.625 |
-0.459 |
-0.062 |
-0.028 |
-0.073 |
Slide |
-0.625 |
2.671 |
1.557 |
-0.009 |
-0.024 |
-0.113 |
Rise |
-0.459 |
1.557 |
9.617 |
0.252 |
0.005 |
-0.167 |
Tilt |
-0.062 |
-0.009 |
0.252 |
0.050 |
0.000 |
-0.006 |
Roll |
-0.028 |
-0.024 |
0.005 |
0.000 |
0.021 |
0.005 |
Twist |
-0.073 |
-0.113 |
-0.167 |
-0.006 |
0.005 |
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 |
1.880 |
0.588 |
0.706 |
-0.123 |
0.009 |
-0.045 |
Slide |
0.588 |
3.351 |
0.966 |
0.063 |
-0.034 |
-0.124 |
Rise |
0.706 |
0.966 |
11.848 |
-0.342 |
-0.005 |
-0.177 |
Tilt |
-0.123 |
0.063 |
-0.342 |
0.050 |
-0.003 |
0.001 |
Roll |
0.009 |
-0.034 |
-0.005 |
-0.003 |
0.026 |
0.012 |
Twist |
-0.045 |
-0.124 |
-0.177 |
0.001 |
0.012 |
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 |
1.276 |
0.423 |
0.716 |
-0.094 |
0.012 |
0.001 |
Slide |
0.423 |
2.956 |
1.360 |
0.023 |
-0.054 |
-0.154 |
Rise |
0.716 |
1.361 |
11.186 |
-0.330 |
-0.023 |
-0.187 |
Tilt |
-0.094 |
0.022 |
-0.330 |
0.047 |
-0.004 |
0.003 |
Roll |
0.012 |
-0.054 |
-0.023 |
-0.004 |
0.022 |
0.011 |
Twist |
0.001 |
-0.154 |
-0.187 |
0.003 |
0.011 |
0.031 |
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 |
1.991 |
-0.414 |
0.079 |
-0.131 |
0.002 |
0.028 |
Slide |
-0.414 |
2.892 |
2.920 |
0.002 |
0.041 |
-0.086 |
Rise |
0.079 |
2.920 |
12.917 |
0.054 |
0.128 |
-0.228 |
Tilt |
-0.131 |
0.002 |
0.054 |
0.045 |
0.002 |
0.000 |
Roll |
0.002 |
0.041 |
0.128 |
0.002 |
0.028 |
0.006 |
Twist |
0.028 |
-0.086 |
-0.228 |
0.000 |
0.006 |
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 |
1.979 |
-0.765 |
-0.298 |
-0.131 |
0.012 |
0.041 |
Slide |
-0.765 |
3.312 |
3.079 |
-0.021 |
0.039 |
-0.051 |
Rise |
-0.298 |
3.079 |
11.587 |
0.015 |
0.112 |
-0.220 |
Tilt |
-0.131 |
-0.021 |
0.015 |
0.042 |
-0.001 |
0.001 |
Roll |
0.012 |
0.039 |
0.112 |
-0.001 |
0.027 |
0.008 |
Twist |
0.041 |
-0.051 |
-0.220 |
0.001 |
0.008 |
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 |
1.516 |
0.459 |
0.548 |
-0.129 |
0.032 |
0.011 |
Slide |
0.459 |
2.055 |
1.482 |
0.029 |
-0.007 |
-0.078 |
Rise |
0.548 |
1.482 |
11.255 |
-0.349 |
0.003 |
-0.175 |
Tilt |
-0.129 |
0.029 |
-0.349 |
0.055 |
-0.004 |
0.002 |
Roll |
0.032 |
-0.007 |
0.003 |
-0.004 |
0.021 |
0.006 |
Twist |
0.011 |
-0.078 |
-0.175 |
0.002 |
0.006 |
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 |
0.743 |
0.092 |
-0.326 |
-0.074 |
0.001 |
0.000 |
Slide |
0.092 |
3.337 |
0.213 |
-0.013 |
0.027 |
-0.142 |
Rise |
-0.326 |
0.213 |
8.679 |
-0.032 |
-0.118 |
-0.237 |
Tilt |
-0.074 |
-0.013 |
-0.032 |
0.030 |
0.001 |
0.000 |
Roll |
0.001 |
0.027 |
-0.118 |
0.001 |
0.020 |
0.011 |
Twist |
0.000 |
-0.142 |
-0.237 |
0.000 |
0.011 |
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 |
0.887 |
-0.164 |
-0.151 |
-0.089 |
0.016 |
0.045 |
Slide |
-0.164 |
2.813 |
0.944 |
-0.009 |
0.011 |
-0.125 |
Rise |
-0.151 |
0.944 |
7.774 |
-0.055 |
-0.078 |
-0.200 |
Tilt |
-0.089 |
-0.009 |
-0.055 |
0.029 |
0.001 |
0.000 |
Roll |
0.016 |
0.011 |
-0.078 |
0.001 |
0.016 |
0.008 |
Twist |
0.045 |
-0.125 |
-0.200 |
0.000 |
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)