| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.522 |
0.000 |
0.000 |
-0.052 |
0.000 |
0.000 |
Slide |
0.000 |
2.765 |
1.254 |
0.000 |
-0.082 |
-0.158 |
Rise |
0.000 |
1.254 |
8.116 |
0.000 |
-0.052 |
-0.197 |
Tilt |
-0.052 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.082 |
-0.052 |
0.000 |
0.023 |
0.010 |
Twist |
0.000 |
-0.158 |
-0.197 |
0.000 |
0.010 |
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 |
0.854 |
0.000 |
0.000 |
-0.027 |
0.000 |
0.000 |
Slide |
0.000 |
3.093 |
2.288 |
0.000 |
0.042 |
-0.053 |
Rise |
0.000 |
2.288 |
9.824 |
0.000 |
0.092 |
-0.205 |
Tilt |
-0.027 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.042 |
0.092 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.053 |
-0.205 |
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 |
1.268 |
0.000 |
0.000 |
-0.052 |
0.000 |
0.000 |
Slide |
0.000 |
3.991 |
3.245 |
0.000 |
0.039 |
-0.147 |
Rise |
0.000 |
3.245 |
10.584 |
0.000 |
0.072 |
-0.234 |
Tilt |
-0.052 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.039 |
0.072 |
0.000 |
0.024 |
0.003 |
Twist |
0.000 |
-0.147 |
-0.234 |
0.000 |
0.003 |
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 |
0.828 |
0.000 |
0.000 |
-0.108 |
0.000 |
0.000 |
Slide |
0.000 |
1.663 |
1.861 |
0.000 |
-0.012 |
-0.098 |
Rise |
0.000 |
1.861 |
8.043 |
0.000 |
-0.011 |
-0.191 |
Tilt |
-0.108 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.012 |
-0.011 |
0.000 |
0.017 |
0.006 |
Twist |
0.000 |
-0.098 |
-0.191 |
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 |
0.983 |
0.000 |
0.000 |
-0.091 |
0.000 |
0.000 |
Slide |
0.000 |
1.423 |
1.840 |
0.000 |
-0.035 |
-0.102 |
Rise |
0.000 |
1.840 |
7.721 |
0.000 |
-0.035 |
-0.171 |
Tilt |
-0.091 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.035 |
-0.035 |
0.000 |
0.022 |
0.010 |
Twist |
0.000 |
-0.102 |
-0.171 |
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 |
0.788 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
2.778 |
0.615 |
0.000 |
0.003 |
-0.110 |
Rise |
0.000 |
0.615 |
7.710 |
0.000 |
-0.053 |
-0.216 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
-0.053 |
0.000 |
0.014 |
0.006 |
Twist |
0.000 |
-0.110 |
-0.216 |
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 |
0.899 |
0.000 |
0.000 |
-0.101 |
0.000 |
0.000 |
Slide |
0.000 |
2.554 |
1.174 |
0.000 |
0.004 |
-0.125 |
Rise |
0.000 |
1.174 |
7.462 |
0.000 |
-0.042 |
-0.213 |
Tilt |
-0.101 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
-0.042 |
0.000 |
0.014 |
0.004 |
Twist |
0.000 |
-0.125 |
-0.213 |
0.000 |
0.004 |
0.021 |
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 |
0.920 |
0.000 |
0.000 |
-0.086 |
0.000 |
0.000 |
Slide |
0.000 |
3.177 |
0.434 |
0.000 |
-0.005 |
-0.162 |
Rise |
0.000 |
0.434 |
8.140 |
0.000 |
-0.058 |
-0.209 |
Tilt |
-0.086 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.005 |
-0.058 |
0.000 |
0.018 |
0.007 |
Twist |
0.000 |
-0.162 |
-0.209 |
0.000 |
0.007 |
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 |
0.988 |
0.000 |
0.000 |
-0.073 |
0.000 |
0.000 |
Slide |
0.000 |
2.152 |
1.516 |
0.000 |
-0.037 |
-0.120 |
Rise |
0.000 |
1.516 |
7.100 |
0.000 |
-0.039 |
-0.169 |
Tilt |
-0.073 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.037 |
-0.039 |
0.000 |
0.019 |
0.009 |
Twist |
0.000 |
-0.120 |
-0.169 |
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 |
0.948 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
1.511 |
1.786 |
0.000 |
-0.035 |
-0.102 |
Rise |
0.000 |
1.786 |
7.995 |
0.000 |
-0.033 |
-0.166 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.035 |
-0.033 |
0.000 |
0.022 |
0.009 |
Twist |
0.000 |
-0.102 |
-0.166 |
0.000 |
0.009 |
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 |
0.845 |
0.000 |
0.000 |
-0.096 |
0.000 |
0.000 |
Slide |
0.000 |
1.802 |
1.832 |
0.000 |
-0.022 |
-0.111 |
Rise |
0.000 |
1.832 |
8.251 |
0.000 |
-0.035 |
-0.210 |
Tilt |
-0.096 |
0.000 |
0.000 |
0.037 |
0.000 |
0.000 |
Roll |
0.000 |
-0.022 |
-0.035 |
0.000 |
0.019 |
0.006 |
Twist |
0.000 |
-0.111 |
-0.210 |
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 |
1.618 |
0.000 |
0.000 |
-0.068 |
0.000 |
0.000 |
Slide |
0.000 |
3.861 |
2.989 |
0.000 |
0.011 |
-0.189 |
Rise |
0.000 |
2.989 |
10.240 |
0.000 |
0.070 |
-0.204 |
Tilt |
-0.068 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.011 |
0.070 |
0.000 |
0.027 |
0.008 |
Twist |
0.000 |
-0.189 |
-0.204 |
0.000 |
0.008 |
0.052 |
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 |
0.925 |
0.000 |
0.000 |
-0.038 |
0.000 |
0.000 |
Slide |
0.000 |
3.655 |
2.476 |
0.000 |
0.018 |
-0.063 |
Rise |
0.000 |
2.476 |
9.692 |
0.000 |
0.052 |
-0.201 |
Tilt |
-0.038 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
0.018 |
0.052 |
0.000 |
0.024 |
0.008 |
Twist |
0.000 |
-0.063 |
-0.201 |
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 |
0.927 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
1.998 |
1.382 |
0.000 |
-0.033 |
-0.105 |
Rise |
0.000 |
1.382 |
7.460 |
0.000 |
-0.049 |
-0.167 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.033 |
-0.049 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.105 |
-0.167 |
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 |
1.310 |
0.000 |
0.000 |
-0.070 |
0.000 |
0.000 |
Slide |
0.000 |
2.749 |
1.209 |
0.000 |
-0.076 |
-0.181 |
Rise |
0.000 |
1.209 |
8.228 |
0.000 |
-0.037 |
-0.192 |
Tilt |
-0.070 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.076 |
-0.037 |
0.000 |
0.025 |
0.009 |
Twist |
0.000 |
-0.181 |
-0.192 |
0.000 |
0.009 |
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)