| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.579 |
0.643 |
0.509 |
-0.060 |
0.016 |
0.048 |
Slide |
0.643 |
2.728 |
1.183 |
-0.010 |
-0.082 |
-0.135 |
Rise |
0.509 |
1.183 |
9.546 |
-0.260 |
-0.031 |
-0.233 |
Tilt |
-0.060 |
-0.010 |
-0.260 |
0.047 |
0.000 |
0.009 |
Roll |
0.016 |
-0.082 |
-0.031 |
0.000 |
0.024 |
0.012 |
Twist |
0.048 |
-0.135 |
-0.233 |
0.009 |
0.012 |
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 |
1.856 |
0.615 |
0.633 |
-0.042 |
0.014 |
0.064 |
Slide |
0.615 |
3.433 |
1.437 |
-0.019 |
-0.045 |
-0.185 |
Rise |
0.633 |
1.437 |
9.523 |
-0.266 |
-0.032 |
-0.174 |
Tilt |
-0.042 |
-0.019 |
-0.266 |
0.048 |
-0.000 |
0.008 |
Roll |
0.014 |
-0.045 |
-0.032 |
-0.000 |
0.022 |
0.005 |
Twist |
0.064 |
-0.185 |
-0.174 |
0.008 |
0.005 |
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 |
1.147 |
0.114 |
0.479 |
-0.024 |
0.033 |
0.020 |
Slide |
0.114 |
3.884 |
3.266 |
-0.045 |
0.017 |
-0.090 |
Rise |
0.479 |
3.266 |
11.756 |
-0.041 |
0.109 |
-0.241 |
Tilt |
-0.024 |
-0.045 |
-0.041 |
0.038 |
0.004 |
0.002 |
Roll |
0.033 |
0.017 |
0.109 |
0.004 |
0.024 |
0.005 |
Twist |
0.020 |
-0.090 |
-0.241 |
0.002 |
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 |
2.070 |
0.267 |
0.278 |
-0.051 |
0.004 |
0.049 |
Slide |
0.267 |
4.031 |
2.854 |
-0.019 |
0.025 |
-0.192 |
Rise |
0.278 |
2.854 |
10.900 |
0.052 |
0.104 |
-0.175 |
Tilt |
-0.051 |
-0.019 |
0.052 |
0.049 |
0.004 |
0.004 |
Roll |
0.004 |
0.025 |
0.104 |
0.004 |
0.030 |
0.005 |
Twist |
0.049 |
-0.192 |
-0.175 |
0.004 |
0.005 |
0.053 |
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 |
1.251 |
0.616 |
-0.236 |
0.002 |
0.027 |
0.022 |
Slide |
0.616 |
2.833 |
0.987 |
0.004 |
-0.031 |
-0.119 |
Rise |
-0.236 |
0.987 |
2.633 |
0.099 |
-0.039 |
-0.137 |
Tilt |
0.002 |
0.004 |
0.099 |
0.021 |
0.002 |
0.007 |
Roll |
0.027 |
-0.031 |
-0.039 |
0.002 |
0.017 |
0.001 |
Twist |
0.022 |
-0.119 |
-0.137 |
0.007 |
0.001 |
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 |
1.195 |
-0.069 |
0.154 |
-0.063 |
-0.007 |
-0.028 |
Slide |
-0.069 |
2.354 |
1.001 |
0.019 |
-0.009 |
-0.108 |
Rise |
0.154 |
1.001 |
6.382 |
-0.014 |
-0.067 |
-0.179 |
Tilt |
-0.063 |
0.019 |
-0.014 |
0.026 |
0.000 |
0.002 |
Roll |
-0.007 |
-0.009 |
-0.067 |
0.000 |
0.014 |
0.005 |
Twist |
-0.028 |
-0.108 |
-0.179 |
0.002 |
0.005 |
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 |
2.122 |
-0.520 |
-0.620 |
-0.074 |
-0.040 |
-0.084 |
Slide |
-0.520 |
3.659 |
1.494 |
-0.035 |
-0.053 |
-0.223 |
Rise |
-0.620 |
1.494 |
7.717 |
0.159 |
-0.037 |
-0.129 |
Tilt |
-0.074 |
-0.035 |
0.159 |
0.042 |
-0.002 |
-0.004 |
Roll |
-0.040 |
-0.053 |
-0.037 |
-0.002 |
0.025 |
0.004 |
Twist |
-0.084 |
-0.223 |
-0.129 |
-0.004 |
0.004 |
0.050 |
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 |
0.067 |
-0.307 |
-0.063 |
-0.053 |
-0.093 |
Slide |
0.067 |
2.079 |
1.759 |
0.020 |
-0.051 |
-0.120 |
Rise |
-0.307 |
1.759 |
8.012 |
0.227 |
-0.058 |
-0.216 |
Tilt |
-0.063 |
0.020 |
0.227 |
0.043 |
-0.004 |
-0.008 |
Roll |
-0.053 |
-0.051 |
-0.058 |
-0.004 |
0.021 |
0.009 |
Twist |
-0.093 |
-0.120 |
-0.216 |
-0.008 |
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 |
1.155 |
0.278 |
-0.241 |
-0.015 |
-0.032 |
-0.026 |
Slide |
0.278 |
3.962 |
3.375 |
0.054 |
0.039 |
-0.075 |
Rise |
-0.241 |
3.376 |
10.745 |
-0.003 |
0.121 |
-0.185 |
Tilt |
-0.015 |
0.054 |
-0.003 |
0.042 |
-0.005 |
-0.008 |
Roll |
-0.032 |
0.039 |
0.121 |
-0.005 |
0.023 |
0.006 |
Twist |
-0.026 |
-0.075 |
-0.185 |
-0.008 |
0.006 |
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 |
1.367 |
-0.274 |
-0.149 |
-0.043 |
0.013 |
-0.056 |
Slide |
-0.274 |
4.155 |
3.391 |
-0.010 |
0.024 |
-0.088 |
Rise |
-0.149 |
3.391 |
11.506 |
0.003 |
0.080 |
-0.246 |
Tilt |
-0.043 |
-0.010 |
0.003 |
0.044 |
-0.005 |
-0.002 |
Roll |
0.013 |
0.024 |
0.080 |
-0.005 |
0.026 |
0.003 |
Twist |
-0.056 |
-0.088 |
-0.246 |
-0.002 |
0.003 |
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 |
0.707 |
-0.323 |
0.376 |
-0.050 |
-0.004 |
0.001 |
Slide |
-0.323 |
3.232 |
0.456 |
-0.033 |
0.010 |
-0.163 |
Rise |
0.376 |
0.456 |
7.898 |
-0.054 |
-0.084 |
-0.161 |
Tilt |
-0.050 |
-0.033 |
-0.054 |
0.026 |
-0.003 |
-0.003 |
Roll |
-0.004 |
0.010 |
-0.084 |
-0.003 |
0.015 |
0.007 |
Twist |
0.001 |
-0.163 |
-0.161 |
-0.003 |
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 |
0.545 |
-0.093 |
-0.001 |
-0.065 |
0.001 |
0.001 |
Slide |
-0.093 |
2.393 |
0.362 |
0.001 |
-0.012 |
-0.171 |
Rise |
-0.001 |
0.362 |
9.317 |
0.002 |
-0.132 |
-0.217 |
Tilt |
-0.065 |
0.001 |
0.002 |
0.026 |
-0.000 |
0.002 |
Roll |
0.001 |
-0.012 |
-0.132 |
-0.000 |
0.019 |
0.014 |
Twist |
0.001 |
-0.171 |
-0.217 |
0.002 |
0.014 |
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 |
1.242 |
-0.269 |
-0.967 |
-0.096 |
-0.037 |
-0.011 |
Slide |
-0.269 |
2.000 |
1.524 |
0.001 |
-0.024 |
-0.107 |
Rise |
-0.967 |
1.524 |
9.365 |
0.310 |
-0.001 |
-0.168 |
Tilt |
-0.096 |
0.001 |
0.310 |
0.043 |
0.004 |
-0.001 |
Roll |
-0.037 |
-0.024 |
-0.001 |
0.004 |
0.021 |
0.010 |
Twist |
-0.011 |
-0.107 |
-0.168 |
-0.001 |
0.010 |
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 |
0.892 |
0.090 |
-0.262 |
-0.089 |
0.002 |
0.029 |
Slide |
0.090 |
2.323 |
1.168 |
-0.002 |
0.007 |
-0.104 |
Rise |
-0.262 |
1.168 |
6.683 |
0.002 |
-0.068 |
-0.206 |
Tilt |
-0.089 |
-0.002 |
0.002 |
0.029 |
0.002 |
-0.003 |
Roll |
0.002 |
0.007 |
-0.068 |
0.002 |
0.015 |
0.007 |
Twist |
0.029 |
-0.104 |
-0.206 |
-0.003 |
0.007 |
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 |
1.842 |
-0.225 |
-0.557 |
-0.031 |
-0.005 |
-0.071 |
Slide |
-0.225 |
2.790 |
0.879 |
-0.022 |
-0.083 |
-0.134 |
Rise |
-0.557 |
0.879 |
9.100 |
0.225 |
-0.043 |
-0.170 |
Tilt |
-0.031 |
-0.022 |
0.225 |
0.044 |
0.001 |
-0.007 |
Roll |
-0.005 |
-0.083 |
-0.043 |
0.001 |
0.023 |
0.011 |
Twist |
-0.071 |
-0.134 |
-0.170 |
-0.007 |
0.011 |
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 |
1.519 |
-0.414 |
-0.341 |
-0.020 |
-0.015 |
-0.036 |
Slide |
-0.414 |
2.631 |
1.339 |
0.000 |
-0.091 |
-0.129 |
Rise |
-0.341 |
1.339 |
9.070 |
0.245 |
-0.035 |
-0.206 |
Tilt |
-0.020 |
0.000 |
0.245 |
0.042 |
0.000 |
-0.006 |
Roll |
-0.015 |
-0.091 |
-0.035 |
0.000 |
0.023 |
0.008 |
Twist |
-0.036 |
-0.129 |
-0.206 |
-0.006 |
0.008 |
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 |
1.488 |
-0.502 |
-0.647 |
-0.045 |
-0.012 |
-0.059 |
Slide |
-0.502 |
2.657 |
1.285 |
0.018 |
-0.082 |
-0.139 |
Rise |
-0.647 |
1.285 |
10.122 |
0.263 |
-0.036 |
-0.215 |
Tilt |
-0.045 |
0.018 |
0.263 |
0.046 |
0.001 |
-0.008 |
Roll |
-0.012 |
-0.082 |
-0.036 |
0.001 |
0.023 |
0.012 |
Twist |
-0.059 |
-0.139 |
-0.215 |
-0.008 |
0.012 |
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)