| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.489 |
0.761 |
0.688 |
-0.042 |
-0.006 |
0.051 |
Slide |
0.761 |
3.139 |
0.969 |
-0.027 |
-0.045 |
-0.120 |
Rise |
0.688 |
0.969 |
11.291 |
-0.271 |
-0.019 |
-0.222 |
Tilt |
-0.042 |
-0.027 |
-0.271 |
0.046 |
-0.001 |
0.008 |
Roll |
-0.006 |
-0.045 |
-0.019 |
-0.001 |
0.021 |
0.008 |
Twist |
0.051 |
-0.120 |
-0.222 |
0.008 |
0.008 |
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 |
1.814 |
0.158 |
0.164 |
-0.051 |
0.022 |
0.005 |
Slide |
0.158 |
4.183 |
3.130 |
0.012 |
0.013 |
-0.131 |
Rise |
0.164 |
3.130 |
10.910 |
0.044 |
0.065 |
-0.209 |
Tilt |
-0.051 |
0.012 |
0.044 |
0.047 |
0.007 |
0.004 |
Roll |
0.022 |
0.013 |
0.066 |
0.007 |
0.030 |
0.009 |
Twist |
0.005 |
-0.131 |
-0.209 |
0.004 |
0.009 |
0.047 |
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 |
1.171 |
-0.316 |
0.588 |
-0.082 |
0.063 |
0.078 |
Slide |
-0.316 |
2.257 |
1.914 |
-0.032 |
-0.057 |
-0.109 |
Rise |
0.588 |
1.914 |
9.457 |
-0.278 |
-0.055 |
-0.226 |
Tilt |
-0.082 |
-0.032 |
-0.278 |
0.050 |
0.003 |
0.008 |
Roll |
0.063 |
-0.057 |
-0.055 |
0.003 |
0.021 |
0.012 |
Twist |
0.078 |
-0.109 |
-0.225 |
0.008 |
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 |
1.642 |
0.390 |
0.323 |
-0.073 |
0.037 |
0.063 |
Slide |
0.390 |
2.550 |
1.924 |
-0.013 |
-0.045 |
-0.104 |
Rise |
0.323 |
1.925 |
8.492 |
-0.220 |
-0.036 |
-0.202 |
Tilt |
-0.073 |
-0.013 |
-0.220 |
0.047 |
0.003 |
0.008 |
Roll |
0.037 |
-0.045 |
-0.036 |
0.003 |
0.023 |
0.007 |
Twist |
0.063 |
-0.104 |
-0.202 |
0.008 |
0.007 |
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 |
1.167 |
0.337 |
0.422 |
-0.062 |
0.040 |
0.054 |
Slide |
0.337 |
2.642 |
1.920 |
-0.031 |
-0.040 |
-0.128 |
Rise |
0.422 |
1.920 |
10.132 |
-0.241 |
-0.015 |
-0.246 |
Tilt |
-0.061 |
-0.031 |
-0.241 |
0.048 |
0.001 |
0.009 |
Roll |
0.040 |
-0.040 |
-0.015 |
0.001 |
0.022 |
0.008 |
Twist |
0.054 |
-0.128 |
-0.246 |
0.009 |
0.008 |
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 |
0.744 |
-0.110 |
0.442 |
-0.070 |
-0.011 |
-0.015 |
Slide |
-0.110 |
2.732 |
0.295 |
-0.010 |
0.033 |
-0.110 |
Rise |
0.442 |
0.295 |
7.921 |
0.018 |
-0.119 |
-0.215 |
Tilt |
-0.070 |
-0.010 |
0.018 |
0.028 |
-0.001 |
0.000 |
Roll |
-0.011 |
0.033 |
-0.119 |
-0.001 |
0.019 |
0.010 |
Twist |
-0.015 |
-0.110 |
-0.215 |
0.000 |
0.010 |
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 |
0.826 |
-0.156 |
0.450 |
-0.084 |
0.005 |
-0.022 |
Slide |
-0.156 |
2.941 |
0.635 |
-0.019 |
0.015 |
-0.130 |
Rise |
0.450 |
0.635 |
8.250 |
-0.031 |
-0.105 |
-0.230 |
Tilt |
-0.084 |
-0.019 |
-0.031 |
0.030 |
-0.000 |
0.002 |
Roll |
0.005 |
0.015 |
-0.105 |
-0.000 |
0.019 |
0.011 |
Twist |
-0.022 |
-0.130 |
-0.230 |
0.002 |
0.011 |
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 |
1.127 |
0.111 |
-0.183 |
-0.146 |
0.006 |
0.003 |
Slide |
0.111 |
3.317 |
0.280 |
0.013 |
0.018 |
-0.127 |
Rise |
-0.183 |
0.280 |
8.515 |
0.007 |
-0.060 |
-0.226 |
Tilt |
-0.146 |
0.013 |
0.007 |
0.036 |
0.001 |
0.001 |
Roll |
0.006 |
0.018 |
-0.060 |
0.001 |
0.017 |
0.006 |
Twist |
0.003 |
-0.127 |
-0.226 |
0.001 |
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 |
1.652 |
-0.683 |
-0.592 |
-0.060 |
-0.021 |
-0.080 |
Slide |
-0.683 |
2.949 |
1.782 |
-0.008 |
-0.033 |
-0.118 |
Rise |
-0.592 |
1.782 |
10.256 |
0.232 |
-0.026 |
-0.213 |
Tilt |
-0.060 |
-0.008 |
0.232 |
0.047 |
-0.002 |
-0.007 |
Roll |
-0.021 |
-0.033 |
-0.026 |
-0.002 |
0.021 |
0.006 |
Twist |
-0.080 |
-0.118 |
-0.213 |
-0.007 |
0.006 |
0.041 |
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 |
1.879 |
0.923 |
1.235 |
-0.118 |
0.036 |
-0.030 |
Slide |
0.923 |
2.435 |
1.053 |
0.007 |
0.005 |
-0.127 |
Rise |
1.235 |
1.053 |
10.853 |
-0.371 |
0.022 |
-0.151 |
Tilt |
-0.118 |
0.007 |
-0.371 |
0.050 |
-0.005 |
0.001 |
Roll |
0.036 |
0.005 |
0.022 |
-0.005 |
0.024 |
0.008 |
Twist |
-0.030 |
-0.127 |
-0.151 |
0.001 |
0.008 |
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 |
1.131 |
0.290 |
0.735 |
-0.109 |
0.008 |
0.006 |
Slide |
0.290 |
2.605 |
0.873 |
0.030 |
-0.034 |
-0.126 |
Rise |
0.735 |
0.873 |
11.237 |
-0.350 |
0.014 |
-0.163 |
Tilt |
-0.109 |
0.030 |
-0.350 |
0.050 |
-0.004 |
0.000 |
Roll |
0.008 |
-0.034 |
0.014 |
-0.004 |
0.021 |
0.009 |
Twist |
0.006 |
-0.126 |
-0.163 |
0.000 |
0.009 |
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 |
1.897 |
-0.549 |
0.026 |
-0.135 |
0.004 |
0.007 |
Slide |
-0.549 |
3.015 |
2.855 |
0.001 |
0.046 |
-0.032 |
Rise |
0.026 |
2.855 |
11.599 |
0.028 |
0.127 |
-0.215 |
Tilt |
-0.135 |
0.001 |
0.028 |
0.043 |
0.001 |
0.002 |
Roll |
0.004 |
0.046 |
0.127 |
0.001 |
0.028 |
0.007 |
Twist |
0.007 |
-0.032 |
-0.215 |
0.002 |
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 |
1.280 |
0.123 |
0.017 |
-0.149 |
0.009 |
-0.003 |
Slide |
0.123 |
3.320 |
2.682 |
0.003 |
0.080 |
-0.085 |
Rise |
0.017 |
2.682 |
11.534 |
-0.010 |
0.145 |
-0.238 |
Tilt |
-0.149 |
0.003 |
-0.010 |
0.045 |
0.000 |
-0.000 |
Roll |
0.009 |
0.080 |
0.145 |
0.000 |
0.027 |
0.007 |
Twist |
-0.003 |
-0.085 |
-0.238 |
-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 |
1.990 |
0.394 |
0.698 |
-0.154 |
0.037 |
0.020 |
Slide |
0.394 |
1.743 |
1.649 |
0.004 |
0.006 |
-0.081 |
Rise |
0.698 |
1.649 |
9.233 |
-0.266 |
-0.011 |
-0.154 |
Tilt |
-0.154 |
0.004 |
-0.266 |
0.050 |
-0.003 |
0.001 |
Roll |
0.037 |
0.006 |
-0.011 |
-0.003 |
0.023 |
0.007 |
Twist |
0.020 |
-0.081 |
-0.154 |
0.001 |
0.007 |
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 |
0.746 |
0.029 |
-0.488 |
-0.061 |
0.010 |
0.007 |
Slide |
0.029 |
3.085 |
0.420 |
0.003 |
0.017 |
-0.138 |
Rise |
-0.488 |
0.420 |
9.226 |
-0.004 |
-0.142 |
-0.246 |
Tilt |
-0.061 |
0.003 |
-0.004 |
0.028 |
0.001 |
-0.000 |
Roll |
0.010 |
0.017 |
-0.142 |
0.001 |
0.022 |
0.012 |
Twist |
0.007 |
-0.138 |
-0.247 |
-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)