| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.268 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
2.609 |
0.822 |
0.000 |
-0.088 |
-0.138 |
Rise |
0.000 |
0.822 |
8.829 |
0.000 |
-0.059 |
-0.193 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.088 |
-0.059 |
0.000 |
0.024 |
0.011 |
Twist |
0.000 |
-0.138 |
-0.193 |
0.000 |
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 |
0.840 |
0.000 |
0.000 |
-0.075 |
0.000 |
0.000 |
Slide |
0.000 |
2.385 |
1.753 |
0.000 |
-0.058 |
-0.132 |
Rise |
0.000 |
1.753 |
9.218 |
0.000 |
-0.017 |
-0.200 |
Tilt |
-0.075 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.058 |
-0.017 |
0.000 |
0.021 |
0.006 |
Twist |
0.000 |
-0.132 |
-0.200 |
0.000 |
0.006 |
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 |
1.558 |
0.000 |
0.000 |
-0.106 |
0.000 |
0.000 |
Slide |
0.000 |
2.814 |
1.424 |
0.000 |
-0.072 |
-0.128 |
Rise |
0.000 |
1.424 |
8.126 |
0.000 |
-0.038 |
-0.148 |
Tilt |
-0.106 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.072 |
-0.038 |
0.000 |
0.022 |
0.003 |
Twist |
0.000 |
-0.128 |
-0.148 |
0.000 |
0.003 |
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 |
0.958 |
0.000 |
0.000 |
0.016 |
0.000 |
0.000 |
Slide |
0.000 |
4.315 |
2.426 |
0.000 |
-0.045 |
-0.158 |
Rise |
0.000 |
2.426 |
10.531 |
0.000 |
0.034 |
-0.185 |
Tilt |
0.016 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
-0.045 |
0.034 |
0.000 |
0.026 |
0.007 |
Twist |
0.000 |
-0.158 |
-0.185 |
0.000 |
0.007 |
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 |
0.742 |
0.000 |
0.000 |
-0.077 |
0.000 |
0.000 |
Slide |
0.000 |
3.074 |
0.763 |
0.000 |
0.011 |
-0.120 |
Rise |
0.000 |
0.763 |
7.989 |
0.000 |
-0.096 |
-0.212 |
Tilt |
-0.077 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
-0.096 |
0.000 |
0.018 |
0.009 |
Twist |
0.000 |
-0.120 |
-0.212 |
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 |
0.667 |
0.000 |
0.000 |
-0.078 |
0.000 |
0.000 |
Slide |
0.000 |
2.974 |
0.578 |
0.000 |
0.027 |
-0.120 |
Rise |
0.000 |
0.578 |
7.707 |
0.000 |
-0.091 |
-0.202 |
Tilt |
-0.078 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.027 |
-0.091 |
0.000 |
0.019 |
0.010 |
Twist |
0.000 |
-0.120 |
-0.202 |
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 |
1.009 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
2.063 |
1.558 |
0.000 |
-0.036 |
-0.109 |
Rise |
0.000 |
1.558 |
8.451 |
0.000 |
-0.044 |
-0.183 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.036 |
-0.044 |
0.000 |
0.024 |
0.012 |
Twist |
0.000 |
-0.109 |
-0.183 |
0.000 |
0.012 |
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 |
1.358 |
0.000 |
0.000 |
-0.148 |
0.000 |
0.000 |
Slide |
0.000 |
2.680 |
2.836 |
0.000 |
0.048 |
-0.051 |
Rise |
0.000 |
2.836 |
11.775 |
0.000 |
0.118 |
-0.224 |
Tilt |
-0.148 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.048 |
0.118 |
0.000 |
0.026 |
0.005 |
Twist |
0.000 |
-0.051 |
-0.224 |
0.000 |
0.005 |
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 |
1.432 |
0.000 |
0.000 |
-0.127 |
0.000 |
0.000 |
Slide |
0.000 |
2.892 |
3.020 |
0.000 |
0.021 |
-0.048 |
Rise |
0.000 |
3.020 |
11.629 |
0.000 |
0.124 |
-0.189 |
Tilt |
-0.127 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.021 |
0.124 |
0.000 |
0.027 |
0.009 |
Twist |
0.000 |
-0.048 |
-0.189 |
0.000 |
0.009 |
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 |
0.953 |
0.000 |
0.000 |
-0.096 |
0.000 |
0.000 |
Slide |
0.000 |
1.727 |
1.798 |
0.000 |
0.012 |
-0.084 |
Rise |
0.000 |
1.798 |
7.987 |
0.000 |
-0.018 |
-0.172 |
Tilt |
-0.096 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
0.012 |
-0.018 |
0.000 |
0.017 |
0.004 |
Twist |
0.000 |
-0.084 |
-0.172 |
0.000 |
0.004 |
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 |
0.999 |
0.000 |
0.000 |
-0.122 |
0.000 |
0.000 |
Slide |
0.000 |
1.820 |
1.914 |
0.000 |
-0.017 |
-0.115 |
Rise |
0.000 |
1.914 |
9.091 |
0.000 |
-0.010 |
-0.175 |
Tilt |
-0.122 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.017 |
-0.010 |
0.000 |
0.020 |
0.006 |
Twist |
0.000 |
-0.115 |
-0.175 |
0.000 |
0.006 |
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 |
1.253 |
0.000 |
0.000 |
-0.066 |
0.000 |
0.000 |
Slide |
0.000 |
3.869 |
2.658 |
0.000 |
0.008 |
-0.093 |
Rise |
0.000 |
2.658 |
10.376 |
0.000 |
0.058 |
-0.220 |
Tilt |
-0.066 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
0.058 |
0.000 |
0.029 |
0.012 |
Twist |
0.000 |
-0.093 |
-0.220 |
0.000 |
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 |
0.417 |
0.000 |
0.000 |
-0.051 |
0.000 |
0.000 |
Slide |
0.000 |
2.384 |
1.323 |
0.000 |
0.024 |
-0.125 |
Rise |
0.000 |
1.323 |
7.945 |
0.000 |
-0.098 |
-0.215 |
Tilt |
-0.051 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
0.024 |
-0.098 |
0.000 |
0.016 |
0.009 |
Twist |
0.000 |
-0.125 |
-0.215 |
0.000 |
0.009 |
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 |
0.770 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
3.016 |
0.897 |
0.000 |
0.022 |
-0.122 |
Rise |
0.000 |
0.897 |
8.564 |
0.000 |
-0.131 |
-0.265 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
0.022 |
-0.131 |
0.000 |
0.021 |
0.012 |
Twist |
0.000 |
-0.122 |
-0.265 |
0.000 |
0.012 |
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 |
0.750 |
0.000 |
0.000 |
-0.106 |
0.000 |
0.000 |
Slide |
0.000 |
2.875 |
0.703 |
0.000 |
-0.065 |
-0.148 |
Rise |
0.000 |
0.703 |
9.730 |
0.000 |
-0.034 |
-0.206 |
Tilt |
-0.106 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.065 |
-0.034 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.148 |
-0.206 |
0.000 |
0.009 |
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 |
0.900 |
0.000 |
0.000 |
-0.098 |
0.000 |
0.000 |
Slide |
0.000 |
2.620 |
1.097 |
0.000 |
-0.054 |
-0.152 |
Rise |
0.000 |
1.097 |
9.364 |
0.000 |
-0.010 |
-0.163 |
Tilt |
-0.098 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.010 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.152 |
-0.163 |
0.000 |
0.011 |
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)