| Shift | Slide | Rise | Tilt | Roll | Twist |
| Shift |
0.651 |
0.000 |
0.000 |
-0.026 |
0.000 |
0.000 |
| Slide |
0.000 |
4.091 |
2.913 |
0.000 |
0.045 |
-0.082 |
| Rise |
0.000 |
2.912 |
10.868 |
0.000 |
0.086 |
-0.227 |
| Tilt |
-0.026 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
| Roll |
0.000 |
0.045 |
0.086 |
0.000 |
0.022 |
0.008 |
| Twist |
0.000 |
-0.082 |
-0.227 |
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 |
0.938 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
| Slide |
0.000 |
3.918 |
2.972 |
0.000 |
0.035 |
-0.036 |
| Rise |
0.000 |
2.972 |
10.002 |
0.000 |
0.085 |
-0.175 |
| Tilt |
-0.029 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
| Roll |
0.000 |
0.035 |
0.085 |
0.000 |
0.026 |
0.008 |
| Twist |
0.000 |
-0.036 |
-0.175 |
0.000 |
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 |
0.769 |
0.000 |
0.000 |
-0.042 |
0.000 |
0.000 |
| Slide |
0.000 |
2.365 |
1.765 |
0.000 |
-0.071 |
-0.145 |
| Rise |
0.000 |
1.765 |
8.942 |
0.000 |
-0.020 |
-0.160 |
| Tilt |
-0.042 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.071 |
-0.020 |
0.000 |
0.020 |
0.005 |
| Twist |
0.000 |
-0.145 |
-0.160 |
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 |
1.008 |
0.000 |
0.000 |
-0.093 |
0.000 |
0.000 |
| Slide |
0.000 |
2.180 |
1.622 |
0.000 |
-0.054 |
-0.105 |
| Rise |
0.000 |
1.622 |
9.377 |
0.000 |
-0.019 |
-0.205 |
| Tilt |
-0.093 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.054 |
-0.019 |
0.000 |
0.022 |
0.006 |
| Twist |
0.000 |
-0.105 |
-0.205 |
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 |
1.311 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
| Slide |
0.000 |
4.802 |
3.323 |
0.000 |
-0.090 |
-0.072 |
| Rise |
0.000 |
3.323 |
12.117 |
0.000 |
0.044 |
-0.161 |
| Tilt |
0.025 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.090 |
0.044 |
0.000 |
0.030 |
0.014 |
| Twist |
0.000 |
-0.072 |
-0.161 |
0.000 |
0.014 |
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 |
1.764 |
0.000 |
0.000 |
-0.017 |
0.000 |
0.000 |
| Slide |
0.000 |
4.788 |
2.972 |
0.000 |
-0.030 |
-0.129 |
| Rise |
0.000 |
2.972 |
11.070 |
0.000 |
0.049 |
-0.161 |
| Tilt |
-0.017 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.030 |
0.049 |
0.000 |
0.033 |
0.009 |
| Twist |
0.000 |
-0.129 |
-0.161 |
0.000 |
0.009 |
0.055 |
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 |
1.913 |
0.000 |
0.000 |
-0.013 |
0.000 |
0.000 |
| Slide |
0.000 |
5.102 |
3.387 |
0.000 |
-0.064 |
-0.077 |
| Rise |
0.000 |
3.387 |
12.155 |
0.000 |
0.074 |
-0.169 |
| Tilt |
-0.013 |
0.000 |
0.000 |
0.048 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.064 |
0.074 |
0.000 |
0.030 |
0.013 |
| Twist |
0.000 |
-0.077 |
-0.169 |
0.000 |
0.013 |
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 |
0.645 |
0.000 |
0.000 |
-0.073 |
0.000 |
0.000 |
| Slide |
0.000 |
2.389 |
1.027 |
0.000 |
0.011 |
-0.112 |
| Rise |
0.000 |
1.027 |
7.734 |
0.000 |
-0.082 |
-0.217 |
| Tilt |
-0.073 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
| Roll |
0.000 |
0.011 |
-0.082 |
0.000 |
0.017 |
0.008 |
| Twist |
0.000 |
-0.112 |
-0.217 |
0.000 |
0.008 |
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 |
0.645 |
0.000 |
0.000 |
-0.073 |
0.000 |
0.000 |
| Slide |
0.000 |
2.513 |
0.783 |
0.000 |
0.024 |
-0.105 |
| Rise |
0.000 |
0.782 |
8.366 |
0.000 |
-0.088 |
-0.229 |
| Tilt |
-0.073 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
| Roll |
0.000 |
0.024 |
-0.088 |
0.000 |
0.017 |
0.009 |
| Twist |
0.000 |
-0.105 |
-0.229 |
0.000 |
0.009 |
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 |
0.824 |
0.000 |
0.000 |
-0.101 |
0.000 |
0.000 |
| Slide |
0.000 |
1.883 |
1.746 |
0.000 |
-0.013 |
-0.087 |
| Rise |
0.000 |
1.746 |
8.410 |
0.000 |
-0.046 |
-0.194 |
| Tilt |
-0.101 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.013 |
-0.046 |
0.000 |
0.019 |
0.008 |
| Twist |
0.000 |
-0.087 |
-0.194 |
0.000 |
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 |
1.094 |
0.000 |
0.000 |
-0.093 |
0.000 |
0.000 |
| Slide |
0.000 |
1.938 |
1.167 |
0.000 |
-0.036 |
-0.100 |
| Rise |
0.000 |
1.167 |
8.163 |
0.000 |
-0.039 |
-0.165 |
| Tilt |
-0.093 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.036 |
-0.039 |
0.000 |
0.021 |
0.008 |
| Twist |
0.000 |
-0.100 |
-0.165 |
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 |
1.265 |
0.000 |
0.000 |
-0.088 |
0.000 |
0.000 |
| Slide |
0.000 |
2.083 |
1.350 |
0.000 |
-0.026 |
-0.129 |
| Rise |
0.000 |
1.350 |
8.104 |
0.000 |
-0.046 |
-0.145 |
| Tilt |
-0.088 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.026 |
-0.046 |
0.000 |
0.021 |
0.009 |
| Twist |
0.000 |
-0.129 |
-0.145 |
0.000 |
0.009 |
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 |
1.005 |
0.000 |
0.000 |
-0.067 |
0.000 |
0.000 |
| Slide |
0.000 |
1.514 |
1.864 |
0.000 |
-0.003 |
-0.071 |
| Rise |
0.000 |
1.864 |
7.500 |
0.000 |
-0.033 |
-0.190 |
| Tilt |
-0.067 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.003 |
-0.033 |
0.000 |
0.018 |
0.006 |
| Twist |
0.000 |
-0.071 |
-0.190 |
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 |
1.142 |
0.000 |
0.000 |
-0.097 |
0.000 |
0.000 |
| Slide |
0.000 |
1.665 |
1.919 |
0.000 |
0.001 |
-0.090 |
| Rise |
0.000 |
1.919 |
7.902 |
0.000 |
-0.057 |
-0.179 |
| Tilt |
-0.097 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
| Roll |
0.000 |
0.001 |
-0.057 |
0.000 |
0.021 |
0.005 |
| Twist |
0.000 |
-0.090 |
-0.179 |
0.000 |
0.005 |
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 |
0.764 |
0.000 |
0.000 |
-0.030 |
0.000 |
0.000 |
| Slide |
0.000 |
3.683 |
3.133 |
0.000 |
0.019 |
-0.068 |
| Rise |
0.000 |
3.133 |
10.660 |
0.000 |
0.083 |
-0.211 |
| Tilt |
-0.030 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
| Roll |
0.000 |
0.019 |
0.083 |
0.000 |
0.027 |
0.011 |
| Twist |
0.000 |
-0.068 |
-0.211 |
0.000 |
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 |
0.591 |
0.000 |
0.000 |
-0.034 |
0.000 |
0.000 |
| Slide |
0.000 |
2.341 |
1.287 |
0.000 |
0.045 |
-0.126 |
| Rise |
0.000 |
1.287 |
7.145 |
0.000 |
-0.056 |
-0.208 |
| Tilt |
-0.034 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
| Roll |
0.000 |
0.045 |
-0.056 |
0.000 |
0.016 |
0.008 |
| Twist |
0.000 |
-0.126 |
-0.208 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
| Shift |
0.435 |
0.000 |
0.000 |
-0.046 |
0.000 |
0.000 |
| Slide |
0.000 |
2.743 |
0.715 |
0.000 |
0.026 |
-0.146 |
| Rise |
0.000 |
0.716 |
8.452 |
0.000 |
-0.137 |
-0.247 |
| Tilt |
-0.046 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
| Roll |
0.000 |
0.026 |
-0.137 |
0.000 |
0.021 |
0.014 |
| Twist |
0.000 |
-0.146 |
-0.247 |
0.000 |
0.014 |
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 |
1.109 |
0.000 |
0.000 |
-0.112 |
0.000 |
0.000 |
| Slide |
0.000 |
2.158 |
1.680 |
0.000 |
-0.038 |
-0.112 |
| Rise |
0.000 |
1.680 |
9.253 |
0.000 |
-0.039 |
-0.173 |
| Tilt |
-0.112 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.038 |
-0.039 |
0.000 |
0.022 |
0.010 |
| Twist |
0.000 |
-0.112 |
-0.173 |
0.000 |
0.010 |
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 |
0.738 |
0.000 |
0.000 |
-0.090 |
0.000 |
0.000 |
| Slide |
0.000 |
2.432 |
1.386 |
0.000 |
0.024 |
-0.095 |
| Rise |
0.000 |
1.386 |
6.849 |
0.000 |
-0.067 |
-0.212 |
| Tilt |
-0.090 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
| Roll |
0.000 |
0.024 |
-0.067 |
0.000 |
0.016 |
0.006 |
| Twist |
0.000 |
-0.095 |
-0.212 |
0.000 |
0.006 |
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 |
0.803 |
0.000 |
0.000 |
-0.090 |
0.000 |
0.000 |
| Slide |
0.000 |
2.855 |
1.384 |
0.000 |
-0.053 |
-0.171 |
| Rise |
0.000 |
1.384 |
8.714 |
0.000 |
-0.017 |
-0.143 |
| Tilt |
-0.090 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
| Roll |
0.000 |
-0.053 |
-0.017 |
0.000 |
0.022 |
0.006 |
| Twist |
0.000 |
-0.171 |
-0.143 |
0.000 |
0.006 |
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)