| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.240 |
0.000 |
0.000 |
-0.077 |
0.000 |
0.000 |
Slide |
0.000 |
2.234 |
0.901 |
0.000 |
-0.082 |
-0.144 |
Rise |
0.000 |
0.901 |
7.879 |
0.000 |
-0.047 |
-0.168 |
Tilt |
-0.077 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.082 |
-0.047 |
0.000 |
0.023 |
0.009 |
Twist |
0.000 |
-0.144 |
-0.168 |
0.000 |
0.009 |
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 |
1.559 |
0.000 |
0.000 |
-0.031 |
0.000 |
0.000 |
Slide |
0.000 |
3.644 |
2.807 |
0.000 |
-0.026 |
-0.106 |
Rise |
0.000 |
2.807 |
9.514 |
0.000 |
0.055 |
-0.174 |
Tilt |
-0.031 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.026 |
0.055 |
0.000 |
0.027 |
0.009 |
Twist |
0.000 |
-0.106 |
-0.174 |
0.000 |
0.009 |
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 |
0.927 |
0.000 |
0.000 |
-0.048 |
0.000 |
0.000 |
Slide |
0.000 |
3.217 |
2.637 |
0.000 |
0.026 |
-0.101 |
Rise |
0.000 |
2.637 |
9.346 |
0.000 |
0.093 |
-0.182 |
Tilt |
-0.048 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.026 |
0.093 |
0.000 |
0.025 |
0.008 |
Twist |
0.000 |
-0.101 |
-0.182 |
0.000 |
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 |
0.664 |
0.000 |
0.000 |
-0.073 |
0.000 |
0.000 |
Slide |
0.000 |
2.022 |
1.506 |
0.000 |
-0.055 |
-0.092 |
Rise |
0.000 |
1.506 |
7.712 |
0.000 |
-0.054 |
-0.197 |
Tilt |
-0.073 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.055 |
-0.054 |
0.000 |
0.018 |
0.005 |
Twist |
0.000 |
-0.092 |
-0.198 |
0.000 |
0.005 |
0.023 |
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 |
0.741 |
0.000 |
0.000 |
-0.047 |
0.000 |
0.000 |
Slide |
0.000 |
2.237 |
1.694 |
0.000 |
-0.058 |
-0.140 |
Rise |
0.000 |
1.694 |
7.559 |
0.000 |
-0.004 |
-0.160 |
Tilt |
-0.047 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.058 |
-0.004 |
0.000 |
0.018 |
0.005 |
Twist |
0.000 |
-0.140 |
-0.160 |
0.000 |
0.005 |
0.023 |
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 |
1.499 |
0.000 |
0.000 |
-0.001 |
0.000 |
0.000 |
Slide |
0.000 |
4.692 |
3.269 |
0.000 |
-0.065 |
-0.088 |
Rise |
0.000 |
3.269 |
11.286 |
0.000 |
0.079 |
-0.152 |
Tilt |
-0.001 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.065 |
0.079 |
0.000 |
0.030 |
0.013 |
Twist |
0.000 |
-0.088 |
-0.152 |
0.000 |
0.013 |
0.042 |
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 |
1.750 |
0.000 |
0.000 |
-0.010 |
0.000 |
0.000 |
Slide |
0.000 |
4.927 |
3.044 |
0.000 |
-0.071 |
-0.081 |
Rise |
0.000 |
3.044 |
11.274 |
0.000 |
0.072 |
-0.137 |
Tilt |
-0.010 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
-0.071 |
0.072 |
0.000 |
0.030 |
0.012 |
Twist |
0.000 |
-0.081 |
-0.137 |
0.000 |
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 |
1.986 |
0.000 |
0.000 |
0.007 |
0.000 |
0.000 |
Slide |
0.000 |
5.070 |
2.817 |
0.000 |
-0.080 |
-0.104 |
Rise |
0.000 |
2.817 |
10.849 |
0.000 |
0.067 |
-0.141 |
Tilt |
0.007 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
-0.080 |
0.067 |
0.000 |
0.033 |
0.011 |
Twist |
0.000 |
-0.104 |
-0.141 |
0.000 |
0.011 |
0.047 |
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 |
1.160 |
0.000 |
0.000 |
0.012 |
0.000 |
0.000 |
Slide |
0.000 |
4.406 |
2.812 |
0.000 |
-0.034 |
-0.070 |
Rise |
0.000 |
2.812 |
11.082 |
0.000 |
0.096 |
-0.137 |
Tilt |
0.012 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.034 |
0.096 |
0.000 |
0.027 |
0.009 |
Twist |
0.000 |
-0.070 |
-0.137 |
0.000 |
0.009 |
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 |
0.684 |
0.000 |
0.000 |
-0.062 |
0.000 |
0.000 |
Slide |
0.000 |
2.668 |
0.540 |
0.000 |
0.011 |
-0.113 |
Rise |
0.000 |
0.540 |
8.014 |
0.000 |
-0.109 |
-0.235 |
Tilt |
-0.062 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
-0.109 |
0.000 |
0.019 |
0.011 |
Twist |
0.000 |
-0.113 |
-0.235 |
0.000 |
0.011 |
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 |
0.709 |
0.000 |
0.000 |
-0.082 |
0.000 |
0.000 |
Slide |
0.000 |
2.162 |
1.455 |
0.000 |
0.013 |
-0.100 |
Rise |
0.000 |
1.455 |
5.984 |
0.000 |
-0.052 |
-0.163 |
Tilt |
-0.082 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.052 |
0.000 |
0.015 |
0.006 |
Twist |
0.000 |
-0.100 |
-0.163 |
0.000 |
0.006 |
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 |
0.647 |
0.000 |
0.000 |
-0.077 |
0.000 |
0.000 |
Slide |
0.000 |
2.374 |
0.690 |
0.000 |
0.013 |
-0.102 |
Rise |
0.000 |
0.690 |
6.865 |
0.000 |
-0.072 |
-0.184 |
Tilt |
-0.077 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.072 |
0.000 |
0.016 |
0.009 |
Twist |
0.000 |
-0.102 |
-0.184 |
0.000 |
0.009 |
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 |
0.858 |
0.000 |
0.000 |
-0.109 |
0.000 |
0.000 |
Slide |
0.000 |
1.584 |
1.929 |
0.000 |
-0.022 |
-0.113 |
Rise |
0.000 |
1.929 |
7.696 |
0.000 |
-0.016 |
-0.153 |
Tilt |
-0.109 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.022 |
-0.016 |
0.000 |
0.019 |
0.006 |
Twist |
0.000 |
-0.113 |
-0.153 |
0.000 |
0.006 |
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 |
0.769 |
0.000 |
0.000 |
-0.080 |
0.000 |
0.000 |
Slide |
0.000 |
1.895 |
1.793 |
0.000 |
-0.016 |
-0.133 |
Rise |
0.000 |
1.793 |
7.309 |
0.000 |
0.000 |
-0.150 |
Tilt |
-0.080 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.016 |
0.000 |
0.000 |
0.018 |
0.003 |
Twist |
0.000 |
-0.133 |
-0.150 |
0.000 |
0.003 |
0.022 |
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 |
0.864 |
0.000 |
0.000 |
-0.045 |
0.000 |
0.000 |
Slide |
0.000 |
1.954 |
1.567 |
0.000 |
-0.053 |
-0.081 |
Rise |
0.000 |
1.567 |
6.492 |
0.000 |
-0.049 |
-0.190 |
Tilt |
-0.045 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
-0.049 |
0.000 |
0.017 |
0.005 |
Twist |
0.000 |
-0.081 |
-0.190 |
0.000 |
0.005 |
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 |
1.048 |
0.000 |
0.000 |
-0.067 |
0.000 |
0.000 |
Slide |
0.000 |
1.987 |
1.381 |
0.000 |
-0.022 |
-0.131 |
Rise |
0.000 |
1.381 |
7.501 |
0.000 |
-0.047 |
-0.168 |
Tilt |
-0.067 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.022 |
-0.047 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.131 |
-0.168 |
0.000 |
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 |
0.827 |
0.000 |
0.000 |
-0.034 |
0.000 |
0.000 |
Slide |
0.000 |
1.992 |
1.416 |
0.000 |
-0.024 |
-0.112 |
Rise |
0.000 |
1.416 |
7.295 |
0.000 |
-0.058 |
-0.180 |
Tilt |
-0.034 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
-0.024 |
-0.058 |
0.000 |
0.018 |
0.006 |
Twist |
0.000 |
-0.112 |
-0.180 |
0.000 |
0.006 |
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 |
0.865 |
0.000 |
0.000 |
-0.104 |
0.000 |
0.000 |
Slide |
0.000 |
1.968 |
1.393 |
0.000 |
-0.048 |
-0.105 |
Rise |
0.000 |
1.393 |
8.087 |
0.000 |
-0.032 |
-0.122 |
Tilt |
-0.104 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.048 |
-0.032 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.105 |
-0.122 |
0.000 |
0.011 |
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 |
1.061 |
0.000 |
0.000 |
-0.081 |
0.000 |
0.000 |
Slide |
0.000 |
2.224 |
1.594 |
0.000 |
-0.019 |
-0.137 |
Rise |
0.000 |
1.594 |
7.449 |
0.000 |
-0.031 |
-0.150 |
Tilt |
-0.081 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.019 |
-0.031 |
0.000 |
0.020 |
0.007 |
Twist |
0.000 |
-0.137 |
-0.150 |
0.000 |
0.007 |
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 |
0.758 |
0.000 |
0.000 |
-0.083 |
0.000 |
0.000 |
Slide |
0.000 |
1.611 |
1.519 |
0.000 |
-0.019 |
-0.108 |
Rise |
0.000 |
1.519 |
7.620 |
0.000 |
-0.035 |
-0.170 |
Tilt |
-0.083 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.019 |
-0.035 |
0.000 |
0.018 |
0.006 |
Twist |
0.000 |
-0.108 |
-0.170 |
0.000 |
0.006 |
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 |
0.768 |
0.000 |
0.000 |
-0.046 |
0.000 |
0.000 |
Slide |
0.000 |
3.079 |
2.557 |
0.000 |
0.027 |
-0.093 |
Rise |
0.000 |
2.557 |
9.832 |
0.000 |
0.090 |
-0.210 |
Tilt |
-0.046 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.027 |
0.090 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.093 |
-0.210 |
0.000 |
0.008 |
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 |
0.439 |
0.000 |
0.000 |
-0.049 |
0.000 |
0.000 |
Slide |
0.000 |
2.054 |
1.128 |
0.000 |
0.010 |
-0.122 |
Rise |
0.000 |
1.128 |
7.506 |
0.000 |
-0.075 |
-0.218 |
Tilt |
-0.049 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.010 |
-0.075 |
0.000 |
0.014 |
0.010 |
Twist |
0.000 |
-0.122 |
-0.218 |
0.000 |
0.010 |
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 |
0.861 |
0.000 |
0.000 |
-0.052 |
0.000 |
0.000 |
Slide |
0.000 |
1.956 |
1.367 |
0.000 |
-0.007 |
-0.121 |
Rise |
0.000 |
1.367 |
6.851 |
0.000 |
-0.030 |
-0.166 |
Tilt |
-0.052 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.007 |
-0.030 |
0.000 |
0.018 |
0.006 |
Twist |
0.000 |
-0.121 |
-0.166 |
0.000 |
0.006 |
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 |
0.731 |
0.000 |
0.000 |
-0.075 |
0.000 |
0.000 |
Slide |
0.000 |
2.292 |
0.690 |
0.000 |
-0.039 |
-0.116 |
Rise |
0.000 |
0.690 |
6.411 |
0.000 |
-0.042 |
-0.121 |
Tilt |
-0.075 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
-0.042 |
0.000 |
0.021 |
0.010 |
Twist |
0.000 |
-0.116 |
-0.121 |
0.000 |
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 |
1.102 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
2.089 |
1.409 |
0.000 |
-0.019 |
-0.127 |
Rise |
0.000 |
1.409 |
7.453 |
0.000 |
-0.034 |
-0.156 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.019 |
-0.034 |
0.000 |
0.020 |
0.008 |
Twist |
0.000 |
-0.127 |
-0.156 |
0.000 |
0.008 |
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 |
0.430 |
0.000 |
0.000 |
-0.005 |
0.000 |
0.000 |
Slide |
0.000 |
0.984 |
0.453 |
0.000 |
0.036 |
-0.057 |
Rise |
0.000 |
0.453 |
1.020 |
0.000 |
-0.001 |
-0.052 |
Tilt |
-0.005 |
0.000 |
0.000 |
0.000 |
0.000 |
0.000 |
Roll |
0.000 |
0.036 |
-0.001 |
0.000 |
0.005 |
-0.003 |
Twist |
0.000 |
-0.057 |
-0.052 |
0.000 |
-0.003 |
0.008 |
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 |
0.632 |
0.000 |
0.000 |
-0.090 |
0.000 |
0.000 |
Slide |
0.000 |
2.419 |
1.064 |
0.000 |
0.008 |
-0.096 |
Rise |
0.000 |
1.064 |
6.722 |
0.000 |
-0.070 |
-0.179 |
Tilt |
-0.090 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.070 |
0.000 |
0.016 |
0.008 |
Twist |
0.000 |
-0.096 |
-0.179 |
0.000 |
0.008 |
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 |
0.634 |
0.000 |
0.000 |
-0.075 |
0.000 |
0.000 |
Slide |
0.000 |
2.207 |
1.593 |
0.000 |
0.017 |
-0.096 |
Rise |
0.000 |
1.593 |
6.381 |
0.000 |
-0.066 |
-0.192 |
Tilt |
-0.075 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.017 |
-0.066 |
0.000 |
0.015 |
0.005 |
Twist |
0.000 |
-0.097 |
-0.192 |
0.000 |
0.005 |
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 |
1.437 |
0.000 |
0.000 |
-0.061 |
0.000 |
0.000 |
Slide |
0.000 |
2.671 |
1.165 |
0.000 |
-0.071 |
-0.150 |
Rise |
0.000 |
1.165 |
7.904 |
0.000 |
-0.053 |
-0.181 |
Tilt |
-0.061 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.071 |
-0.053 |
0.000 |
0.023 |
0.008 |
Twist |
0.000 |
-0.150 |
-0.181 |
0.000 |
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)