| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.864 |
0.000 |
0.000 |
-0.100 |
0.000 |
0.000 |
Slide |
0.000 |
2.868 |
0.997 |
0.000 |
-0.060 |
-0.135 |
Rise |
0.000 |
0.997 |
10.361 |
0.000 |
-0.026 |
-0.168 |
Tilt |
-0.100 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.060 |
-0.026 |
0.000 |
0.020 |
0.010 |
Twist |
0.000 |
-0.135 |
-0.168 |
0.000 |
0.010 |
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 |
0.885 |
0.000 |
0.000 |
-0.118 |
0.000 |
0.000 |
Slide |
0.000 |
3.600 |
1.133 |
0.000 |
-0.039 |
-0.194 |
Rise |
0.000 |
1.133 |
10.050 |
0.000 |
0.006 |
-0.181 |
Tilt |
-0.118 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
0.006 |
0.000 |
0.026 |
0.008 |
Twist |
0.000 |
-0.194 |
-0.181 |
0.000 |
0.008 |
0.056 |
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 |
1.254 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
4.009 |
3.085 |
0.000 |
-0.003 |
-0.055 |
Rise |
0.000 |
3.085 |
11.131 |
0.000 |
0.059 |
-0.198 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.003 |
0.059 |
0.000 |
0.026 |
0.008 |
Twist |
0.000 |
-0.055 |
-0.198 |
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 |
0.666 |
0.000 |
0.000 |
-0.078 |
0.000 |
0.000 |
Slide |
0.000 |
3.439 |
2.255 |
0.000 |
0.081 |
-0.092 |
Rise |
0.000 |
2.255 |
10.923 |
0.000 |
0.137 |
-0.151 |
Tilt |
-0.078 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.081 |
0.137 |
0.000 |
0.023 |
0.002 |
Twist |
0.000 |
-0.092 |
-0.151 |
0.000 |
0.002 |
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 |
1.436 |
0.000 |
0.000 |
-0.072 |
0.000 |
0.000 |
Slide |
0.000 |
2.960 |
1.616 |
0.000 |
-0.036 |
-0.164 |
Rise |
0.000 |
1.616 |
7.277 |
0.000 |
-0.016 |
-0.131 |
Tilt |
-0.072 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.036 |
-0.016 |
0.000 |
0.023 |
0.000 |
Twist |
0.000 |
-0.164 |
-0.131 |
0.000 |
0.000 |
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 |
0.732 |
0.000 |
0.000 |
-0.045 |
0.000 |
0.000 |
Slide |
0.000 |
2.291 |
1.810 |
0.000 |
-0.041 |
-0.121 |
Rise |
0.000 |
1.810 |
8.601 |
0.000 |
-0.020 |
-0.192 |
Tilt |
-0.045 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.041 |
-0.020 |
0.000 |
0.019 |
0.007 |
Twist |
0.000 |
-0.121 |
-0.192 |
0.000 |
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 |
3.243 |
0.000 |
0.000 |
-0.034 |
0.000 |
0.000 |
Slide |
0.000 |
7.540 |
2.798 |
0.000 |
-0.054 |
-0.351 |
Rise |
0.000 |
2.798 |
12.115 |
0.000 |
0.067 |
-0.202 |
Tilt |
-0.034 |
0.000 |
0.000 |
0.055 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
0.067 |
0.000 |
0.041 |
0.011 |
Twist |
0.000 |
-0.351 |
-0.202 |
0.000 |
0.011 |
0.089 |
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 |
2.842 |
0.000 |
0.000 |
-0.007 |
0.000 |
0.000 |
Slide |
0.000 |
6.591 |
2.585 |
0.000 |
-0.059 |
-0.238 |
Rise |
0.000 |
2.585 |
11.200 |
0.000 |
0.030 |
-0.113 |
Tilt |
-0.007 |
0.000 |
0.000 |
0.053 |
0.000 |
0.000 |
Roll |
0.000 |
-0.059 |
0.030 |
0.000 |
0.038 |
0.013 |
Twist |
0.000 |
-0.238 |
-0.113 |
0.000 |
0.013 |
0.079 |
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 |
0.923 |
0.000 |
0.000 |
-0.056 |
0.000 |
0.000 |
Slide |
0.000 |
3.144 |
1.141 |
0.000 |
-0.004 |
-0.145 |
Rise |
0.000 |
1.141 |
8.115 |
0.000 |
-0.108 |
-0.250 |
Tilt |
-0.056 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
-0.108 |
0.000 |
0.021 |
0.013 |
Twist |
0.000 |
-0.145 |
-0.250 |
0.000 |
0.013 |
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 |
1.505 |
0.000 |
0.000 |
-0.109 |
0.000 |
0.000 |
Slide |
0.000 |
1.708 |
1.627 |
0.000 |
-0.006 |
-0.102 |
Rise |
0.000 |
1.627 |
8.077 |
0.000 |
-0.023 |
-0.162 |
Tilt |
-0.109 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.006 |
-0.023 |
0.000 |
0.025 |
0.006 |
Twist |
0.000 |
-0.102 |
-0.162 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.026 |
0.000 |
0.000 |
-0.132 |
0.000 |
0.000 |
Slide |
0.000 |
2.249 |
1.205 |
0.000 |
0.015 |
-0.059 |
Rise |
0.000 |
1.205 |
7.931 |
0.000 |
-0.089 |
-0.202 |
Tilt |
-0.132 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.015 |
-0.089 |
0.000 |
0.015 |
0.005 |
Twist |
0.000 |
-0.059 |
-0.202 |
0.000 |
0.005 |
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 |
1.345 |
0.000 |
0.000 |
-0.163 |
0.000 |
0.000 |
Slide |
0.000 |
2.879 |
0.722 |
0.000 |
0.014 |
-0.113 |
Rise |
0.000 |
0.722 |
8.563 |
0.000 |
-0.073 |
-0.242 |
Tilt |
-0.163 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
-0.073 |
0.000 |
0.015 |
0.008 |
Twist |
0.000 |
-0.113 |
-0.242 |
0.000 |
0.008 |
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 |
1.172 |
0.000 |
0.000 |
-0.161 |
0.000 |
0.000 |
Slide |
0.000 |
3.616 |
0.613 |
0.000 |
0.001 |
-0.175 |
Rise |
0.000 |
0.613 |
9.396 |
0.000 |
-0.090 |
-0.266 |
Tilt |
-0.161 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.090 |
0.000 |
0.018 |
0.008 |
Twist |
0.000 |
-0.175 |
-0.266 |
0.000 |
0.008 |
0.033 |
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 |
0.000 |
0.000 |
-0.149 |
0.000 |
0.000 |
Slide |
0.000 |
3.620 |
0.332 |
0.000 |
0.015 |
-0.164 |
Rise |
0.000 |
0.332 |
9.069 |
0.000 |
-0.119 |
-0.271 |
Tilt |
-0.149 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.015 |
-0.119 |
0.000 |
0.019 |
0.009 |
Twist |
0.000 |
-0.164 |
-0.271 |
0.000 |
0.009 |
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 |
0.717 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
2.446 |
1.853 |
0.000 |
-0.047 |
-0.151 |
Rise |
0.000 |
1.853 |
8.703 |
0.000 |
-0.009 |
-0.144 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.047 |
-0.009 |
0.000 |
0.018 |
0.004 |
Twist |
0.000 |
-0.151 |
-0.144 |
0.000 |
0.004 |
0.033 |
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 |
1.405 |
0.000 |
0.000 |
-0.090 |
0.000 |
0.000 |
Slide |
0.000 |
3.045 |
1.938 |
0.000 |
-0.034 |
-0.172 |
Rise |
0.000 |
1.938 |
7.360 |
0.000 |
-0.042 |
-0.189 |
Tilt |
-0.090 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.034 |
-0.042 |
0.000 |
0.023 |
0.004 |
Twist |
0.000 |
-0.172 |
-0.189 |
0.000 |
0.004 |
0.045 |
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 |
1.007 |
0.000 |
0.000 |
-0.127 |
0.000 |
0.000 |
Slide |
0.000 |
1.841 |
1.097 |
0.000 |
-0.030 |
-0.113 |
Rise |
0.000 |
1.097 |
8.242 |
0.000 |
-0.021 |
-0.179 |
Tilt |
-0.127 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.030 |
-0.021 |
0.000 |
0.027 |
0.014 |
Twist |
0.000 |
-0.113 |
-0.179 |
0.000 |
0.014 |
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 |
0.775 |
0.000 |
0.000 |
-0.122 |
0.000 |
0.000 |
Slide |
0.000 |
2.501 |
1.460 |
0.000 |
-0.025 |
-0.109 |
Rise |
0.000 |
1.460 |
8.515 |
0.000 |
-0.035 |
-0.153 |
Tilt |
-0.122 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.025 |
-0.035 |
0.000 |
0.028 |
0.011 |
Twist |
0.000 |
-0.109 |
-0.153 |
0.000 |
0.011 |
0.049 |
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 |
1.354 |
0.000 |
0.000 |
-0.149 |
0.000 |
0.000 |
Slide |
0.000 |
2.953 |
2.832 |
0.000 |
0.066 |
-0.066 |
Rise |
0.000 |
2.832 |
12.109 |
0.000 |
0.137 |
-0.232 |
Tilt |
-0.149 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
0.066 |
0.137 |
0.000 |
0.029 |
0.009 |
Twist |
0.000 |
-0.066 |
-0.232 |
0.000 |
0.009 |
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 |
1.438 |
0.000 |
0.000 |
-0.103 |
0.000 |
0.000 |
Slide |
0.000 |
3.151 |
3.195 |
0.000 |
0.046 |
-0.060 |
Rise |
0.000 |
3.195 |
11.987 |
0.000 |
0.123 |
-0.194 |
Tilt |
-0.103 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.046 |
0.123 |
0.000 |
0.028 |
0.006 |
Twist |
0.000 |
-0.060 |
-0.194 |
0.000 |
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 |
1.167 |
0.000 |
0.000 |
-0.128 |
0.000 |
0.000 |
Slide |
0.000 |
2.927 |
1.849 |
0.000 |
0.066 |
-0.073 |
Rise |
0.000 |
1.849 |
10.096 |
0.000 |
0.143 |
-0.186 |
Tilt |
-0.128 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.066 |
0.143 |
0.000 |
0.026 |
0.008 |
Twist |
0.000 |
-0.073 |
-0.186 |
0.000 |
0.008 |
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 |
1.281 |
0.000 |
0.000 |
-0.087 |
0.000 |
0.000 |
Slide |
0.000 |
3.510 |
3.331 |
0.000 |
0.060 |
-0.094 |
Rise |
0.000 |
3.331 |
12.702 |
0.000 |
0.140 |
-0.212 |
Tilt |
-0.087 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.060 |
0.140 |
0.000 |
0.028 |
0.004 |
Twist |
0.000 |
-0.094 |
-0.212 |
0.000 |
0.004 |
0.045 |
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 |
1.386 |
0.000 |
0.000 |
-0.121 |
0.000 |
0.000 |
Slide |
0.000 |
1.670 |
1.671 |
0.000 |
0.001 |
-0.105 |
Rise |
0.000 |
1.671 |
8.399 |
0.000 |
-0.006 |
-0.158 |
Tilt |
-0.121 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.006 |
0.000 |
0.021 |
0.004 |
Twist |
0.000 |
-0.105 |
-0.158 |
0.000 |
0.004 |
0.033 |
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 |
0.767 |
0.000 |
0.000 |
-0.041 |
0.000 |
0.000 |
Slide |
0.000 |
3.878 |
2.816 |
0.000 |
0.026 |
-0.093 |
Rise |
0.000 |
2.816 |
10.943 |
0.000 |
0.084 |
-0.207 |
Tilt |
-0.041 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
0.026 |
0.084 |
0.000 |
0.026 |
0.007 |
Twist |
0.000 |
-0.093 |
-0.207 |
0.000 |
0.007 |
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 |
1.118 |
0.000 |
0.000 |
-0.064 |
0.000 |
0.000 |
Slide |
0.000 |
4.052 |
2.901 |
0.000 |
0.046 |
-0.089 |
Rise |
0.000 |
2.901 |
11.184 |
0.000 |
0.091 |
-0.197 |
Tilt |
-0.064 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
0.046 |
0.091 |
0.000 |
0.023 |
0.001 |
Twist |
0.000 |
-0.089 |
-0.197 |
0.000 |
0.001 |
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 |
0.405 |
0.000 |
0.000 |
-0.049 |
0.000 |
0.000 |
Slide |
0.000 |
3.102 |
0.619 |
0.000 |
0.019 |
-0.170 |
Rise |
0.000 |
0.618 |
8.710 |
0.000 |
-0.135 |
-0.262 |
Tilt |
-0.049 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.019 |
-0.135 |
0.000 |
0.019 |
0.015 |
Twist |
0.000 |
-0.170 |
-0.262 |
0.000 |
0.015 |
0.033 |
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 |
0.395 |
0.000 |
0.000 |
-0.025 |
0.000 |
0.000 |
Slide |
0.000 |
2.805 |
0.493 |
0.000 |
0.019 |
-0.177 |
Rise |
0.000 |
0.492 |
8.504 |
0.000 |
-0.124 |
-0.241 |
Tilt |
-0.025 |
0.000 |
0.000 |
0.022 |
0.000 |
0.000 |
Roll |
0.000 |
0.019 |
-0.124 |
0.000 |
0.020 |
0.015 |
Twist |
0.000 |
-0.177 |
-0.241 |
0.000 |
0.015 |
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 |
0.393 |
0.000 |
0.000 |
-0.053 |
0.000 |
0.000 |
Slide |
0.000 |
3.110 |
0.739 |
0.000 |
0.012 |
-0.176 |
Rise |
0.000 |
0.739 |
8.617 |
0.000 |
-0.092 |
-0.216 |
Tilt |
-0.053 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
-0.092 |
0.000 |
0.016 |
0.012 |
Twist |
0.000 |
-0.176 |
-0.216 |
0.000 |
0.012 |
0.033 |
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 |
1.038 |
0.000 |
0.000 |
-0.148 |
0.000 |
0.000 |
Slide |
0.000 |
2.550 |
0.746 |
0.000 |
-0.033 |
-0.172 |
Rise |
0.000 |
0.746 |
9.013 |
0.000 |
-0.028 |
-0.161 |
Tilt |
-0.148 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.033 |
-0.028 |
0.000 |
0.027 |
0.013 |
Twist |
0.000 |
-0.172 |
-0.161 |
0.000 |
0.013 |
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 |
0.808 |
0.000 |
0.000 |
-0.123 |
0.000 |
0.000 |
Slide |
0.000 |
2.704 |
1.662 |
0.000 |
-0.007 |
-0.121 |
Rise |
0.000 |
1.662 |
8.940 |
0.000 |
-0.017 |
-0.162 |
Tilt |
-0.123 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.007 |
-0.017 |
0.000 |
0.024 |
0.007 |
Twist |
0.000 |
-0.121 |
-0.162 |
0.000 |
0.007 |
0.048 |
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 |
0.911 |
0.000 |
0.000 |
-0.042 |
0.000 |
0.000 |
Slide |
0.000 |
3.446 |
0.667 |
0.000 |
0.003 |
-0.144 |
Rise |
0.000 |
0.667 |
8.715 |
0.000 |
-0.154 |
-0.253 |
Tilt |
-0.042 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
-0.154 |
0.000 |
0.024 |
0.015 |
Twist |
0.000 |
-0.144 |
-0.253 |
0.000 |
0.015 |
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 |
0.780 |
0.000 |
0.000 |
-0.083 |
0.000 |
0.000 |
Slide |
0.000 |
2.928 |
0.787 |
0.000 |
-0.066 |
-0.150 |
Rise |
0.000 |
0.787 |
9.925 |
0.000 |
-0.013 |
-0.162 |
Tilt |
-0.083 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.066 |
-0.013 |
0.000 |
0.024 |
0.013 |
Twist |
0.000 |
-0.150 |
-0.162 |
0.000 |
0.013 |
0.045 |
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 |
0.981 |
0.000 |
0.000 |
-0.123 |
0.000 |
0.000 |
Slide |
0.000 |
3.666 |
1.129 |
0.000 |
-0.052 |
-0.211 |
Rise |
0.000 |
1.129 |
10.475 |
0.000 |
0.005 |
-0.154 |
Tilt |
-0.123 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.052 |
0.005 |
0.000 |
0.025 |
0.006 |
Twist |
0.000 |
-0.211 |
-0.154 |
0.000 |
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)