| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.771 |
0.050 |
0.368 |
-0.042 |
-0.004 |
0.022 |
Slide |
0.050 |
4.033 |
2.706 |
-0.008 |
0.024 |
-0.101 |
Rise |
0.368 |
2.706 |
10.845 |
0.053 |
0.093 |
-0.208 |
Tilt |
-0.042 |
-0.008 |
0.053 |
0.045 |
0.005 |
0.005 |
Roll |
-0.004 |
0.024 |
0.093 |
0.005 |
0.024 |
0.010 |
Twist |
0.022 |
-0.101 |
-0.208 |
0.005 |
0.010 |
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 |
1.176 |
-0.096 |
0.323 |
-0.053 |
0.052 |
0.060 |
Slide |
-0.096 |
2.268 |
1.974 |
-0.039 |
-0.068 |
-0.084 |
Rise |
0.323 |
1.974 |
9.810 |
-0.300 |
-0.074 |
-0.241 |
Tilt |
-0.053 |
-0.039 |
-0.300 |
0.049 |
0.004 |
0.008 |
Roll |
0.052 |
-0.068 |
-0.074 |
0.004 |
0.023 |
0.012 |
Twist |
0.060 |
-0.084 |
-0.241 |
0.008 |
0.012 |
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 |
1.792 |
0.317 |
0.181 |
-0.054 |
0.031 |
0.037 |
Slide |
0.317 |
2.595 |
1.791 |
-0.018 |
-0.079 |
-0.094 |
Rise |
0.181 |
1.791 |
8.286 |
-0.198 |
-0.053 |
-0.202 |
Tilt |
-0.054 |
-0.018 |
-0.198 |
0.046 |
0.003 |
0.007 |
Roll |
0.031 |
-0.079 |
-0.053 |
0.003 |
0.026 |
0.007 |
Twist |
0.037 |
-0.094 |
-0.202 |
0.007 |
0.007 |
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 |
2.281 |
-0.030 |
0.008 |
-0.019 |
0.004 |
-0.003 |
Slide |
-0.030 |
5.773 |
3.259 |
0.013 |
-0.088 |
-0.141 |
Rise |
0.008 |
3.259 |
11.297 |
0.005 |
0.040 |
-0.157 |
Tilt |
-0.019 |
0.013 |
0.005 |
0.047 |
0.001 |
-0.002 |
Roll |
0.004 |
-0.088 |
0.040 |
0.001 |
0.034 |
0.013 |
Twist |
-0.003 |
-0.141 |
-0.157 |
-0.002 |
0.013 |
0.054 |
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 |
1.080 |
-0.098 |
-0.095 |
-0.116 |
0.011 |
0.002 |
Slide |
-0.098 |
3.082 |
0.541 |
0.006 |
0.003 |
-0.134 |
Rise |
-0.095 |
0.541 |
8.827 |
-0.001 |
-0.135 |
-0.279 |
Tilt |
-0.116 |
0.006 |
-0.001 |
0.032 |
-0.000 |
0.000 |
Roll |
0.011 |
0.003 |
-0.135 |
-0.000 |
0.021 |
0.010 |
Twist |
0.002 |
-0.134 |
-0.279 |
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 |
1.178 |
0.128 |
0.152 |
-0.133 |
-0.011 |
-0.007 |
Slide |
0.128 |
2.434 |
1.170 |
-0.009 |
0.024 |
-0.074 |
Rise |
0.152 |
1.170 |
7.618 |
-0.016 |
-0.058 |
-0.202 |
Tilt |
-0.133 |
-0.009 |
-0.016 |
0.034 |
0.002 |
0.004 |
Roll |
-0.011 |
0.024 |
-0.058 |
0.002 |
0.016 |
0.005 |
Twist |
-0.007 |
-0.074 |
-0.202 |
0.004 |
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 |
1.112 |
0.014 |
0.025 |
-0.122 |
0.008 |
0.006 |
Slide |
0.014 |
3.147 |
0.311 |
-0.032 |
0.019 |
-0.124 |
Rise |
0.025 |
0.311 |
9.065 |
-0.021 |
-0.097 |
-0.244 |
Tilt |
-0.122 |
-0.032 |
-0.021 |
0.031 |
-0.001 |
0.002 |
Roll |
0.008 |
0.019 |
-0.097 |
-0.001 |
0.019 |
0.007 |
Twist |
0.006 |
-0.124 |
-0.244 |
0.002 |
0.007 |
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 |
1.646 |
-0.756 |
-0.406 |
-0.053 |
-0.032 |
-0.073 |
Slide |
-0.756 |
2.875 |
1.725 |
0.019 |
-0.030 |
-0.100 |
Rise |
-0.406 |
1.725 |
8.870 |
0.188 |
-0.042 |
-0.191 |
Tilt |
-0.053 |
0.019 |
0.188 |
0.047 |
-0.003 |
-0.009 |
Roll |
-0.032 |
-0.030 |
-0.042 |
-0.003 |
0.021 |
0.006 |
Twist |
-0.073 |
-0.100 |
-0.191 |
-0.009 |
0.006 |
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 |
1.152 |
0.449 |
0.739 |
-0.106 |
0.018 |
0.001 |
Slide |
0.449 |
2.735 |
0.895 |
0.023 |
-0.040 |
-0.139 |
Rise |
0.739 |
0.895 |
10.850 |
-0.356 |
-0.011 |
-0.163 |
Tilt |
-0.106 |
0.023 |
-0.356 |
0.049 |
-0.004 |
-0.001 |
Roll |
0.018 |
-0.040 |
-0.011 |
-0.004 |
0.022 |
0.009 |
Twist |
0.001 |
-0.139 |
-0.163 |
-0.001 |
0.009 |
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 |
1.355 |
0.590 |
1.105 |
-0.124 |
0.019 |
-0.009 |
Slide |
0.590 |
2.316 |
1.302 |
-0.018 |
0.001 |
-0.117 |
Rise |
1.105 |
1.303 |
10.545 |
-0.342 |
0.012 |
-0.159 |
Tilt |
-0.124 |
-0.018 |
-0.342 |
0.049 |
-0.006 |
0.000 |
Roll |
0.019 |
0.001 |
0.012 |
-0.006 |
0.021 |
0.007 |
Twist |
-0.009 |
-0.117 |
-0.159 |
0.000 |
0.007 |
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 |
1.802 |
0.919 |
0.743 |
-0.114 |
0.016 |
-0.065 |
Slide |
0.919 |
2.821 |
1.585 |
0.019 |
-0.016 |
-0.173 |
Rise |
0.743 |
1.585 |
9.899 |
-0.271 |
-0.034 |
-0.164 |
Tilt |
-0.114 |
0.019 |
-0.271 |
0.047 |
-0.004 |
0.000 |
Roll |
0.016 |
-0.016 |
-0.034 |
-0.004 |
0.023 |
0.008 |
Twist |
-0.065 |
-0.173 |
-0.164 |
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 |
1.276 |
-0.045 |
-0.008 |
-0.134 |
-0.008 |
-0.027 |
Slide |
-0.045 |
3.258 |
2.729 |
-0.021 |
0.050 |
-0.091 |
Rise |
-0.008 |
2.729 |
11.340 |
0.004 |
0.124 |
-0.240 |
Tilt |
-0.134 |
-0.021 |
0.004 |
0.043 |
0.000 |
0.004 |
Roll |
-0.008 |
0.050 |
0.124 |
0.000 |
0.026 |
0.005 |
Twist |
-0.027 |
-0.091 |
-0.240 |
0.004 |
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 |
1.212 |
0.088 |
0.523 |
-0.150 |
0.039 |
0.041 |
Slide |
0.088 |
1.894 |
1.811 |
-0.006 |
0.001 |
-0.096 |
Rise |
0.523 |
1.811 |
10.450 |
-0.333 |
-0.034 |
-0.222 |
Tilt |
-0.150 |
-0.006 |
-0.333 |
0.055 |
-0.003 |
0.002 |
Roll |
0.039 |
0.001 |
-0.034 |
-0.003 |
0.021 |
0.007 |
Twist |
0.041 |
-0.096 |
-0.222 |
0.002 |
0.007 |
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 |
0.488 |
0.146 |
-0.350 |
-0.048 |
0.006 |
0.007 |
Slide |
0.146 |
2.924 |
0.622 |
0.023 |
0.036 |
-0.142 |
Rise |
-0.350 |
0.622 |
8.329 |
0.035 |
-0.109 |
-0.234 |
Tilt |
-0.048 |
0.023 |
0.035 |
0.027 |
0.001 |
0.001 |
Roll |
0.006 |
0.036 |
-0.109 |
0.001 |
0.020 |
0.013 |
Twist |
0.007 |
-0.142 |
-0.234 |
0.001 |
0.013 |
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 |
1.497 |
-0.751 |
-0.657 |
-0.095 |
-0.016 |
0.028 |
Slide |
-0.751 |
2.726 |
1.261 |
-0.044 |
-0.041 |
-0.137 |
Rise |
-0.657 |
1.261 |
10.783 |
0.348 |
-0.018 |
-0.130 |
Tilt |
-0.095 |
-0.044 |
0.348 |
0.049 |
0.003 |
0.005 |
Roll |
-0.016 |
-0.041 |
-0.018 |
0.003 |
0.022 |
0.009 |
Twist |
0.028 |
-0.137 |
-0.130 |
0.005 |
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)