| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.886 |
0.000 |
0.000 |
-0.061 |
0.000 |
0.000 |
Slide |
0.000 |
2.379 |
0.956 |
0.000 |
-0.058 |
-0.157 |
Rise |
0.000 |
0.956 |
8.751 |
0.000 |
-0.060 |
-0.156 |
Tilt |
-0.061 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
-0.058 |
-0.060 |
0.000 |
0.024 |
0.012 |
Twist |
0.000 |
-0.157 |
-0.156 |
0.000 |
0.012 |
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 |
0.953 |
0.000 |
0.000 |
-0.125 |
0.000 |
0.000 |
Slide |
0.000 |
3.841 |
1.404 |
0.000 |
-0.034 |
-0.274 |
Rise |
0.000 |
1.404 |
9.883 |
0.000 |
-0.004 |
-0.179 |
Tilt |
-0.125 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.034 |
-0.004 |
0.000 |
0.025 |
0.007 |
Twist |
0.000 |
-0.274 |
-0.179 |
0.000 |
0.007 |
0.065 |
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 |
1.016 |
0.000 |
0.000 |
-0.043 |
0.000 |
0.000 |
Slide |
0.000 |
3.308 |
2.704 |
0.000 |
0.014 |
-0.038 |
Rise |
0.000 |
2.704 |
10.008 |
0.000 |
0.044 |
-0.199 |
Tilt |
-0.043 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.014 |
0.044 |
0.000 |
0.025 |
0.009 |
Twist |
0.000 |
-0.038 |
-0.199 |
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 |
0.614 |
0.000 |
0.000 |
-0.039 |
0.000 |
0.000 |
Slide |
0.000 |
3.487 |
2.708 |
0.000 |
0.056 |
-0.058 |
Rise |
0.000 |
2.708 |
10.120 |
0.000 |
0.088 |
-0.186 |
Tilt |
-0.039 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.056 |
0.088 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.058 |
-0.186 |
0.000 |
0.008 |
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 |
1.038 |
0.000 |
0.000 |
-0.041 |
0.000 |
0.000 |
Slide |
0.000 |
3.877 |
3.036 |
0.000 |
-0.004 |
-0.050 |
Rise |
0.000 |
3.036 |
10.923 |
0.000 |
0.063 |
-0.235 |
Tilt |
-0.041 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
-0.004 |
0.063 |
0.000 |
0.027 |
0.012 |
Twist |
0.000 |
-0.050 |
-0.235 |
0.000 |
0.012 |
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 |
1.054 |
0.000 |
0.000 |
-0.069 |
0.000 |
0.000 |
Slide |
0.000 |
2.054 |
2.001 |
0.000 |
-0.052 |
-0.122 |
Rise |
0.000 |
2.001 |
7.514 |
0.000 |
-0.002 |
-0.191 |
Tilt |
-0.069 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.052 |
-0.002 |
0.000 |
0.020 |
0.005 |
Twist |
0.000 |
-0.122 |
-0.191 |
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 |
0.628 |
0.000 |
0.000 |
-0.063 |
0.000 |
0.000 |
Slide |
0.000 |
2.047 |
1.650 |
0.000 |
-0.035 |
-0.099 |
Rise |
0.000 |
1.650 |
7.235 |
0.000 |
-0.025 |
-0.210 |
Tilt |
-0.063 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.035 |
-0.025 |
0.000 |
0.015 |
0.005 |
Twist |
0.000 |
-0.099 |
-0.210 |
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 |
0.876 |
0.000 |
0.000 |
-0.029 |
0.000 |
0.000 |
Slide |
0.000 |
2.989 |
2.038 |
0.000 |
-0.062 |
-0.191 |
Rise |
0.000 |
2.039 |
8.076 |
0.000 |
0.009 |
-0.159 |
Tilt |
-0.029 |
0.000 |
0.000 |
0.029 |
0.000 |
0.000 |
Roll |
0.000 |
-0.062 |
0.009 |
0.000 |
0.023 |
0.000 |
Twist |
0.000 |
-0.191 |
-0.159 |
0.000 |
0.000 |
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 |
1.064 |
0.000 |
0.000 |
0.007 |
0.000 |
0.000 |
Slide |
0.000 |
4.598 |
2.816 |
0.000 |
-0.026 |
-0.076 |
Rise |
0.000 |
2.816 |
11.562 |
0.000 |
0.067 |
-0.196 |
Tilt |
0.007 |
0.000 |
0.000 |
0.045 |
0.000 |
0.000 |
Roll |
0.000 |
-0.026 |
0.067 |
0.000 |
0.025 |
0.013 |
Twist |
0.000 |
-0.076 |
-0.196 |
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 |
1.104 |
0.000 |
0.000 |
0.003 |
0.000 |
0.000 |
Slide |
0.000 |
4.708 |
2.951 |
0.000 |
-0.045 |
-0.096 |
Rise |
0.000 |
2.951 |
11.631 |
0.000 |
0.073 |
-0.186 |
Tilt |
0.003 |
0.000 |
0.000 |
0.048 |
0.000 |
0.000 |
Roll |
0.000 |
-0.045 |
0.073 |
0.000 |
0.028 |
0.016 |
Twist |
0.000 |
-0.096 |
-0.186 |
0.000 |
0.016 |
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 |
2.283 |
0.000 |
0.000 |
-0.031 |
0.000 |
0.000 |
Slide |
0.000 |
5.770 |
2.493 |
0.000 |
-0.051 |
-0.220 |
Rise |
0.000 |
2.493 |
10.190 |
0.000 |
0.017 |
-0.154 |
Tilt |
-0.031 |
0.000 |
0.000 |
0.050 |
0.000 |
0.000 |
Roll |
0.000 |
-0.051 |
0.017 |
0.000 |
0.034 |
0.011 |
Twist |
0.000 |
-0.220 |
-0.154 |
0.000 |
0.011 |
0.077 |
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 |
2.837 |
0.000 |
0.000 |
-0.015 |
0.000 |
0.000 |
Slide |
0.000 |
7.636 |
2.763 |
0.000 |
-0.044 |
-0.344 |
Rise |
0.000 |
2.763 |
12.547 |
0.000 |
0.057 |
-0.195 |
Tilt |
-0.015 |
0.000 |
0.000 |
0.056 |
0.000 |
0.000 |
Roll |
0.000 |
-0.044 |
0.057 |
0.000 |
0.044 |
0.008 |
Twist |
0.000 |
-0.344 |
-0.195 |
0.000 |
0.008 |
0.094 |
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 |
0.671 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
2.288 |
1.276 |
0.000 |
0.006 |
-0.107 |
Rise |
0.000 |
1.276 |
7.793 |
0.000 |
-0.095 |
-0.264 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
-0.095 |
0.000 |
0.016 |
0.010 |
Twist |
0.000 |
-0.107 |
-0.264 |
0.000 |
0.010 |
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 |
0.595 |
0.000 |
0.000 |
-0.075 |
0.000 |
0.000 |
Slide |
0.000 |
2.338 |
1.020 |
0.000 |
0.018 |
-0.086 |
Rise |
0.000 |
1.020 |
6.747 |
0.000 |
-0.056 |
-0.197 |
Tilt |
-0.075 |
0.000 |
0.000 |
0.027 |
0.000 |
0.000 |
Roll |
0.000 |
0.018 |
-0.056 |
0.000 |
0.016 |
0.008 |
Twist |
0.000 |
-0.086 |
-0.197 |
0.000 |
0.008 |
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 |
0.891 |
0.000 |
0.000 |
-0.020 |
0.000 |
0.000 |
Slide |
0.000 |
3.365 |
0.958 |
0.000 |
-0.001 |
-0.139 |
Rise |
0.000 |
0.958 |
8.687 |
0.000 |
-0.103 |
-0.233 |
Tilt |
-0.020 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
-0.103 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.139 |
-0.233 |
0.000 |
0.012 |
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 |
1.589 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
2.146 |
1.934 |
0.000 |
-0.033 |
-0.155 |
Rise |
0.000 |
1.934 |
7.439 |
0.000 |
-0.041 |
-0.176 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
-0.033 |
-0.041 |
0.000 |
0.026 |
0.007 |
Twist |
0.000 |
-0.155 |
-0.176 |
0.000 |
0.007 |
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 |
0.863 |
0.000 |
0.000 |
-0.117 |
0.000 |
0.000 |
Slide |
0.000 |
1.955 |
1.949 |
0.000 |
-0.020 |
-0.129 |
Rise |
0.000 |
1.949 |
8.772 |
0.000 |
-0.008 |
-0.219 |
Tilt |
-0.117 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
-0.020 |
-0.008 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.129 |
-0.219 |
0.000 |
0.007 |
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 |
1.729 |
0.000 |
0.000 |
-0.088 |
0.000 |
0.000 |
Slide |
0.000 |
2.284 |
1.817 |
0.000 |
-0.019 |
-0.138 |
Rise |
0.000 |
1.817 |
7.456 |
0.000 |
0.004 |
-0.140 |
Tilt |
-0.088 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.019 |
0.004 |
0.000 |
0.022 |
0.005 |
Twist |
0.000 |
-0.138 |
-0.140 |
0.000 |
0.005 |
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 |
0.896 |
0.000 |
0.000 |
-0.108 |
0.000 |
0.000 |
Slide |
0.000 |
2.623 |
1.360 |
0.000 |
0.015 |
-0.111 |
Rise |
0.000 |
1.360 |
7.852 |
0.000 |
-0.055 |
-0.228 |
Tilt |
-0.108 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.015 |
-0.055 |
0.000 |
0.015 |
0.006 |
Twist |
0.000 |
-0.111 |
-0.228 |
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 |
1.247 |
0.000 |
0.000 |
-0.147 |
0.000 |
0.000 |
Slide |
0.000 |
2.765 |
1.842 |
0.000 |
0.009 |
-0.146 |
Rise |
0.000 |
1.842 |
6.205 |
0.000 |
-0.053 |
-0.188 |
Tilt |
-0.147 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
-0.053 |
0.000 |
0.013 |
-0.000 |
Twist |
0.000 |
-0.146 |
-0.188 |
0.000 |
-0.000 |
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 |
1.010 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
Slide |
0.000 |
2.813 |
0.584 |
0.000 |
-0.003 |
-0.140 |
Rise |
0.000 |
0.584 |
8.745 |
0.000 |
-0.125 |
-0.281 |
Tilt |
-0.115 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.003 |
-0.125 |
0.000 |
0.018 |
0.008 |
Twist |
0.000 |
-0.140 |
-0.281 |
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 |
0.924 |
0.000 |
0.000 |
-0.111 |
0.000 |
0.000 |
Slide |
0.000 |
2.141 |
1.087 |
0.000 |
0.006 |
-0.087 |
Rise |
0.000 |
1.087 |
7.240 |
0.000 |
-0.060 |
-0.213 |
Tilt |
-0.111 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
-0.060 |
0.000 |
0.016 |
0.006 |
Twist |
0.000 |
-0.087 |
-0.213 |
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 |
1.108 |
0.000 |
0.000 |
-0.150 |
0.000 |
0.000 |
Slide |
0.000 |
3.181 |
0.728 |
0.000 |
-0.015 |
-0.169 |
Rise |
0.000 |
0.728 |
9.424 |
0.000 |
-0.101 |
-0.276 |
Tilt |
-0.150 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.015 |
-0.101 |
0.000 |
0.018 |
0.010 |
Twist |
0.000 |
-0.169 |
-0.276 |
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 |
0.925 |
0.000 |
0.000 |
-0.095 |
0.000 |
0.000 |
Slide |
0.000 |
2.186 |
1.933 |
0.000 |
-0.050 |
-0.140 |
Rise |
0.000 |
1.933 |
9.153 |
0.000 |
0.015 |
-0.201 |
Tilt |
-0.095 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.050 |
0.015 |
0.000 |
0.021 |
0.006 |
Twist |
0.000 |
-0.140 |
-0.201 |
0.000 |
0.006 |
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 |
0.683 |
0.000 |
0.000 |
-0.052 |
0.000 |
0.000 |
Slide |
0.000 |
2.182 |
1.608 |
0.000 |
-0.054 |
-0.100 |
Rise |
0.000 |
1.608 |
7.635 |
0.000 |
-0.042 |
-0.196 |
Tilt |
-0.052 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.054 |
-0.042 |
0.000 |
0.017 |
0.006 |
Twist |
0.000 |
-0.100 |
-0.196 |
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 |
1.131 |
0.000 |
0.000 |
-0.102 |
0.000 |
0.000 |
Slide |
0.000 |
2.554 |
2.090 |
0.000 |
-0.068 |
-0.143 |
Rise |
0.000 |
2.090 |
9.394 |
0.000 |
-0.004 |
-0.208 |
Tilt |
-0.102 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.068 |
-0.004 |
0.000 |
0.023 |
0.008 |
Twist |
0.000 |
-0.143 |
-0.208 |
0.000 |
0.008 |
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 |
0.971 |
0.000 |
0.000 |
-0.103 |
0.000 |
0.000 |
Slide |
0.000 |
1.963 |
1.370 |
0.000 |
-0.017 |
-0.108 |
Rise |
0.000 |
1.370 |
8.192 |
0.000 |
-0.035 |
-0.158 |
Tilt |
-0.103 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.017 |
-0.035 |
0.000 |
0.023 |
0.009 |
Twist |
0.000 |
-0.108 |
-0.158 |
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 |
0.987 |
0.000 |
0.000 |
-0.085 |
0.000 |
0.000 |
Slide |
0.000 |
2.081 |
1.358 |
0.000 |
-0.011 |
-0.118 |
Rise |
0.000 |
1.358 |
8.397 |
0.000 |
-0.050 |
-0.184 |
Tilt |
-0.085 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.011 |
-0.050 |
0.000 |
0.023 |
0.007 |
Twist |
0.000 |
-0.118 |
-0.184 |
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 |
0.773 |
0.000 |
0.000 |
-0.102 |
0.000 |
0.000 |
Slide |
0.000 |
2.187 |
1.471 |
0.000 |
-0.034 |
-0.128 |
Rise |
0.000 |
1.471 |
8.230 |
0.000 |
-0.049 |
-0.192 |
Tilt |
-0.102 |
0.000 |
0.000 |
0.034 |
0.000 |
0.000 |
Roll |
0.000 |
-0.034 |
-0.049 |
0.000 |
0.026 |
0.011 |
Twist |
0.000 |
-0.128 |
-0.192 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.988 |
0.000 |
0.000 |
-0.114 |
0.000 |
0.000 |
Slide |
0.000 |
3.196 |
1.977 |
0.000 |
0.078 |
-0.068 |
Rise |
0.000 |
1.977 |
10.121 |
0.000 |
0.126 |
-0.182 |
Tilt |
-0.114 |
0.000 |
0.000 |
0.042 |
0.000 |
0.000 |
Roll |
0.000 |
0.078 |
0.126 |
0.000 |
0.021 |
0.002 |
Twist |
0.000 |
-0.068 |
-0.182 |
0.000 |
0.002 |
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 |
1.292 |
0.000 |
0.000 |
-0.109 |
0.000 |
0.000 |
Slide |
0.000 |
2.481 |
3.008 |
0.000 |
0.050 |
-0.052 |
Rise |
0.000 |
3.008 |
11.585 |
0.000 |
0.149 |
-0.213 |
Tilt |
-0.109 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
0.050 |
0.149 |
0.000 |
0.026 |
0.004 |
Twist |
0.000 |
-0.052 |
-0.213 |
0.000 |
0.004 |
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 |
1.403 |
0.000 |
0.000 |
-0.120 |
0.000 |
0.000 |
Slide |
0.000 |
2.833 |
3.122 |
0.000 |
0.056 |
-0.051 |
Rise |
0.000 |
3.122 |
11.682 |
0.000 |
0.160 |
-0.204 |
Tilt |
-0.120 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.056 |
0.160 |
0.000 |
0.030 |
0.006 |
Twist |
0.000 |
-0.051 |
-0.204 |
0.000 |
0.006 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.224 |
0.000 |
0.000 |
-0.054 |
0.000 |
0.000 |
Slide |
0.000 |
2.919 |
2.879 |
0.000 |
0.056 |
-0.088 |
Rise |
0.000 |
2.879 |
12.347 |
0.000 |
0.163 |
-0.187 |
Tilt |
-0.054 |
0.000 |
0.000 |
0.038 |
0.000 |
0.000 |
Roll |
0.000 |
0.056 |
0.163 |
0.000 |
0.028 |
0.006 |
Twist |
0.000 |
-0.088 |
-0.186 |
0.000 |
0.006 |
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 |
1.248 |
0.000 |
0.000 |
-0.145 |
0.000 |
0.000 |
Slide |
0.000 |
2.845 |
1.978 |
0.000 |
0.052 |
-0.086 |
Rise |
0.000 |
1.978 |
11.173 |
0.000 |
0.114 |
-0.235 |
Tilt |
-0.145 |
0.000 |
0.000 |
0.047 |
0.000 |
0.000 |
Roll |
0.000 |
0.052 |
0.114 |
0.000 |
0.027 |
0.008 |
Twist |
0.000 |
-0.086 |
-0.235 |
0.000 |
0.008 |
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 |
1.233 |
0.000 |
0.000 |
-0.099 |
0.000 |
0.000 |
Slide |
0.000 |
3.344 |
3.204 |
0.000 |
0.029 |
-0.104 |
Rise |
0.000 |
3.204 |
12.233 |
0.000 |
0.102 |
-0.221 |
Tilt |
-0.099 |
0.000 |
0.000 |
0.044 |
0.000 |
0.000 |
Roll |
0.000 |
0.029 |
0.102 |
0.000 |
0.028 |
0.004 |
Twist |
0.000 |
-0.104 |
-0.221 |
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 |
0.829 |
0.000 |
0.000 |
-0.115 |
0.000 |
0.000 |
Slide |
0.000 |
1.690 |
1.731 |
0.000 |
0.001 |
-0.103 |
Rise |
0.000 |
1.731 |
7.522 |
0.000 |
0.001 |
-0.206 |
Tilt |
-0.115 |
0.000 |
0.000 |
0.039 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
0.001 |
0.000 |
0.015 |
0.006 |
Twist |
0.000 |
-0.103 |
-0.206 |
0.000 |
0.006 |
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 |
1.567 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
1.922 |
1.885 |
0.000 |
-0.019 |
-0.129 |
Rise |
0.000 |
1.885 |
7.587 |
0.000 |
-0.015 |
-0.125 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.035 |
0.000 |
0.000 |
Roll |
0.000 |
-0.019 |
-0.015 |
0.000 |
0.025 |
0.004 |
Twist |
0.000 |
-0.129 |
-0.125 |
0.000 |
0.004 |
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 |
2.101 |
0.000 |
0.000 |
-0.023 |
0.000 |
0.000 |
Slide |
0.000 |
3.081 |
1.648 |
0.000 |
-0.037 |
-0.172 |
Rise |
0.000 |
1.648 |
6.741 |
0.000 |
0.035 |
-0.150 |
Tilt |
-0.023 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.037 |
0.035 |
0.000 |
0.024 |
0.009 |
Twist |
0.000 |
-0.172 |
-0.150 |
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 |
1.079 |
0.000 |
0.000 |
-0.050 |
0.000 |
0.000 |
Slide |
0.000 |
3.772 |
2.948 |
0.000 |
0.002 |
-0.048 |
Rise |
0.000 |
2.948 |
10.743 |
0.000 |
0.075 |
-0.203 |
Tilt |
-0.050 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.002 |
0.075 |
0.000 |
0.028 |
0.012 |
Twist |
0.000 |
-0.048 |
-0.203 |
0.000 |
0.012 |
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 |
1.030 |
0.000 |
0.000 |
0.020 |
0.000 |
0.000 |
Slide |
0.000 |
3.247 |
2.708 |
0.000 |
0.006 |
-0.049 |
Rise |
0.000 |
2.708 |
10.032 |
0.000 |
0.122 |
-0.177 |
Tilt |
0.020 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
0.122 |
0.000 |
0.026 |
0.010 |
Twist |
0.000 |
-0.049 |
-0.177 |
0.000 |
0.010 |
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 |
1.091 |
0.000 |
0.000 |
-0.057 |
0.000 |
0.000 |
Slide |
0.000 |
3.869 |
2.665 |
0.000 |
0.003 |
-0.122 |
Rise |
0.000 |
2.665 |
9.511 |
0.000 |
0.031 |
-0.201 |
Tilt |
-0.057 |
0.000 |
0.000 |
0.041 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
0.031 |
0.000 |
0.026 |
0.012 |
Twist |
0.000 |
-0.122 |
-0.201 |
0.000 |
0.012 |
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)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.337 |
0.000 |
0.000 |
-0.039 |
0.000 |
0.000 |
Slide |
0.000 |
2.583 |
1.042 |
0.000 |
0.009 |
-0.148 |
Rise |
0.000 |
1.042 |
8.173 |
0.000 |
-0.108 |
-0.236 |
Tilt |
-0.039 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.009 |
-0.108 |
0.000 |
0.019 |
0.013 |
Twist |
0.000 |
-0.148 |
-0.236 |
0.000 |
0.013 |
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 |
0.411 |
0.000 |
0.000 |
-0.043 |
0.000 |
0.000 |
Slide |
0.000 |
1.930 |
1.185 |
0.000 |
0.013 |
-0.114 |
Rise |
0.000 |
1.185 |
8.084 |
0.000 |
-0.105 |
-0.259 |
Tilt |
-0.043 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.013 |
-0.105 |
0.000 |
0.015 |
0.011 |
Twist |
0.000 |
-0.114 |
-0.259 |
0.000 |
0.011 |
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 |
0.391 |
0.000 |
0.000 |
-0.047 |
0.000 |
0.000 |
Slide |
0.000 |
2.266 |
1.048 |
0.000 |
0.016 |
-0.134 |
Rise |
0.000 |
1.048 |
7.212 |
0.000 |
-0.042 |
-0.201 |
Tilt |
-0.047 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
0.016 |
-0.042 |
0.000 |
0.012 |
0.008 |
Twist |
0.000 |
-0.134 |
-0.201 |
0.000 |
0.008 |
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 |
0.404 |
0.000 |
0.000 |
-0.039 |
0.000 |
0.000 |
Slide |
0.000 |
2.629 |
0.736 |
0.000 |
0.008 |
-0.144 |
Rise |
0.000 |
0.737 |
9.092 |
0.000 |
-0.144 |
-0.266 |
Tilt |
-0.039 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Roll |
0.000 |
0.008 |
-0.144 |
0.000 |
0.019 |
0.016 |
Twist |
0.000 |
-0.144 |
-0.266 |
0.000 |
0.016 |
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 |
1.012 |
0.000 |
0.000 |
-0.094 |
0.000 |
0.000 |
Slide |
0.000 |
1.851 |
1.226 |
0.000 |
-0.001 |
-0.109 |
Rise |
0.000 |
1.226 |
8.681 |
0.000 |
-0.008 |
-0.177 |
Tilt |
-0.094 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.001 |
-0.008 |
0.000 |
0.018 |
0.005 |
Twist |
0.000 |
-0.109 |
-0.177 |
0.000 |
0.005 |
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 |
0.967 |
0.000 |
0.000 |
-0.087 |
0.000 |
0.000 |
Slide |
0.000 |
1.789 |
1.099 |
0.000 |
-0.014 |
-0.091 |
Rise |
0.000 |
1.099 |
8.339 |
0.000 |
-0.035 |
-0.172 |
Tilt |
-0.087 |
0.000 |
0.000 |
0.032 |
0.000 |
0.000 |
Roll |
0.000 |
-0.014 |
-0.035 |
0.000 |
0.023 |
0.009 |
Twist |
0.000 |
-0.091 |
-0.172 |
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 |
0.734 |
0.000 |
0.000 |
-0.116 |
0.000 |
0.000 |
Slide |
0.000 |
2.285 |
1.499 |
0.000 |
-0.027 |
-0.096 |
Rise |
0.000 |
1.499 |
8.545 |
0.000 |
-0.042 |
-0.139 |
Tilt |
-0.116 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.027 |
-0.042 |
0.000 |
0.029 |
0.010 |
Twist |
0.000 |
-0.096 |
-0.139 |
0.000 |
0.010 |
0.046 |
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 |
0.643 |
0.000 |
0.000 |
-0.078 |
0.000 |
0.000 |
Slide |
0.000 |
2.516 |
1.316 |
0.000 |
0.004 |
-0.102 |
Rise |
0.000 |
1.316 |
7.384 |
0.000 |
-0.086 |
-0.220 |
Tilt |
-0.078 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
0.004 |
-0.086 |
0.000 |
0.016 |
0.008 |
Twist |
0.000 |
-0.102 |
-0.220 |
0.000 |
0.008 |
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 |
0.815 |
0.000 |
0.000 |
-0.050 |
0.000 |
0.000 |
Slide |
0.000 |
3.059 |
1.466 |
0.000 |
-0.015 |
-0.163 |
Rise |
0.000 |
1.466 |
7.388 |
0.000 |
-0.058 |
-0.193 |
Tilt |
-0.050 |
0.000 |
0.000 |
0.026 |
0.000 |
0.000 |
Roll |
0.000 |
-0.015 |
-0.058 |
0.000 |
0.016 |
0.007 |
Twist |
0.000 |
-0.163 |
-0.193 |
0.000 |
0.007 |
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 |
0.875 |
0.000 |
0.000 |
-0.040 |
0.000 |
0.000 |
Slide |
0.000 |
2.965 |
0.809 |
0.000 |
0.001 |
-0.127 |
Rise |
0.000 |
0.809 |
7.448 |
0.000 |
-0.093 |
-0.231 |
Tilt |
-0.040 |
0.000 |
0.000 |
0.024 |
0.000 |
0.000 |
Roll |
0.000 |
0.001 |
-0.093 |
0.000 |
0.022 |
0.013 |
Twist |
0.000 |
-0.127 |
-0.231 |
0.000 |
0.013 |
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 |
0.847 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
2.775 |
1.434 |
0.000 |
-0.061 |
-0.182 |
Rise |
0.000 |
1.435 |
9.053 |
0.000 |
-0.055 |
-0.194 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.061 |
-0.055 |
0.000 |
0.025 |
0.012 |
Twist |
0.000 |
-0.182 |
-0.194 |
0.000 |
0.012 |
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 |
0.857 |
0.000 |
0.000 |
-0.090 |
0.000 |
0.000 |
Slide |
0.000 |
2.830 |
1.251 |
0.000 |
-0.039 |
-0.219 |
Rise |
0.000 |
1.251 |
8.576 |
0.000 |
0.003 |
-0.141 |
Tilt |
-0.090 |
0.000 |
0.000 |
0.030 |
0.000 |
0.000 |
Roll |
0.000 |
-0.039 |
0.003 |
0.000 |
0.024 |
0.009 |
Twist |
0.000 |
-0.219 |
-0.141 |
0.000 |
0.009 |
0.051 |
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)