## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
S |
469 |
117 |
18606 |
◊ |
R |
x,y,z |
1_555 |
462 |
107 |
17607 |
4236.2 |
-68.5 |
0.846 |
51 |
10 |
0 |
0.443 |
2 |
|
M |
474 |
118 |
18601 |
◊ |
L |
x,y,z |
1_555 |
459 |
105 |
17596 |
4194.1 |
-66.6 |
0.880 |
51 |
10 |
0 |
0.443 |
Average: |
4215.1 |
-67.5 |
0.863 |
51 |
10 |
0 |
0.443 |
2 |
3 |
|
H |
281 |
79 |
15056 |
◊ |
M |
x,y,z |
1_555 |
251 |
60 |
18601 |
2591.9 |
-21.0 |
0.931 |
35 |
12 |
0 |
0.334 |
4 |
|
T |
280 |
78 |
15069 |
◊ |
S |
x,y,z |
1_555 |
246 |
60 |
18606 |
2574.8 |
-21.9 |
0.921 |
34 |
13 |
0 |
0.334 |
Average: |
2583.3 |
-21.4 |
0.926 |
35 |
13 |
0 |
0.334 |
3 |
5 |
|
H |
172 |
53 |
15056 |
◊ |
L |
x,y,z |
1_555 |
151 |
38 |
17596 |
1512.5 |
-17.5 |
0.769 |
16 |
2 |
0 |
0.276 |
6 |
|
T |
169 |
53 |
15069 |
◊ |
R |
x,y,z |
1_555 |
150 |
38 |
17607 |
1504.4 |
-17.4 |
0.752 |
16 |
2 |
0 |
0.276 |
Average: |
1508.5 |
-17.5 |
0.761 |
16 |
2 |
0 |
0.276 |
4 |
7 |
|
[BCL]S:2003 |
58 |
1 |
1368 |
f |
S |
x,y,z |
1_555 |
86 |
30 |
18606 |
605.3 |
-11.2 |
0.472 |
1 |
0 |
0 |
0.100 |
8 |
|
[BCL]M:1003 |
59 |
1 |
1355 |
f |
M |
x,y,z |
1_555 |
83 |
30 |
18601 |
590.4 |
-10.8 |
0.473 |
1 |
0 |
0 |
0.100 |
Average: |
597.8 |
-11.0 |
0.473 |
1 |
0 |
0 |
0.100 |
5 |
9 |
|
[BCL]R:2002 |
58 |
1 |
1339 |
f |
R |
x,y,z |
1_555 |
86 |
28 |
17607 |
554.8 |
-8.7 |
0.657 |
2 |
0 |
0 |
0.107 |
10 |
|
[BCL]L:1002 |
58 |
1 |
1330 |
f |
L |
x,y,z |
1_555 |
84 |
26 |
17596 |
546.3 |
-8.8 |
0.640 |
2 |
0 |
0 |
0.107 |
Average: |
550.6 |
-8.8 |
0.648 |
2 |
0 |
0 |
0.107 |
6 |
11 |
|
[BPH]R:2006 |
52 |
1 |
1353 |
f |
R |
x,y,z |
1_555 |
85 |
28 |
17607 |
531.2 |
-7.1 |
0.749 |
1 |
0 |
0 |
0.084 |
12 |
|
[BPH]L:1006 |
50 |
1 |
1351 |
f |
L |
x,y,z |
1_555 |
85 |
28 |
17596 |
527.3 |
-6.4 |
0.770 |
1 |
0 |
0 |
0.084 |
Average: |
529.3 |
-6.8 |
0.760 |
1 |
0 |
0 |
0.084 |
7 |
13 |
|
[U10]M:1008 |
35 |
1 |
952 |
f |
M |
x,y,z |
1_555 |
69 |
20 |
18601 |
454.8 |
-5.9 |
0.767 |
2 |
0 |
0 |
0.056 |
14 |
|
[U10]S:2008 |
32 |
1 |
795 |
f |
S |
x,y,z |
1_555 |
70 |
20 |
18606 |
447.2 |
-5.3 |
0.676 |
2 |
0 |
0 |
0.056 |
Average: |
451.0 |
-5.6 |
0.721 |
2 |
0 |
0 |
0.056 |
8 |
15 |
|
[U10]L:1009 |
34 |
1 |
1067 |
f |
L |
x,y,z |
1_555 |
55 |
18 |
17596 |
405.5 |
-5.7 |
0.746 |
1 |
0 |
0 |
0.067 |
9 |
16 |
|
[BPH]S:2005 |
37 |
1 |
1030 |
f |
S |
x,y,z |
1_555 |
61 |
20 |
18606 |
385.1 |
-4.0 |
0.728 |
1 |
0 |
0 |
0.043 |
17 |
|
[BPH]M:1005 |
37 |
1 |
1004 |
f |
M |
x,y,z |
1_555 |
57 |
19 |
18601 |
353.6 |
-4.7 |
0.701 |
1 |
0 |
0 |
0.043 |
Average: |
369.4 |
-4.4 |
0.714 |
1 |
0 |
0 |
0.043 |
10 |
18 |
|
[LDA]S:2012 |
15 |
1 |
517 |
f |
S |
x,y,z |
1_555 |
53 |
18 |
18606 |
336.1 |
-0.1 |
0.407 |
0 |
0 |
0 |
0.000 |
11 |
19 |
|
[BCL]R:2004 |
40 |
1 |
1178 |
f |
R |
x,y,z |
1_555 |
36 |
12 |
17607 |
314.5 |
-8.0 |
0.338 |
0 |
0 |
0 |
0.089 |
20 |
|
[BCL]M:1004 |
40 |
1 |
1184 |
f |
L |
x,y,z |
1_555 |
42 |
13 |
17596 |
308.9 |
-7.8 |
0.374 |
0 |
0 |
0 |
0.089 |
Average: |
311.7 |
-7.9 |
0.356 |
0 |
0 |
0 |
0.089 |
12 |
21 |
|
S |
28 |
8 |
18606 |
◊ |
T |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
32 |
12 |
15069 |
301.7 |
-1.5 |
0.819 |
4 |
0 |
0 |
0.000 |
22 |
|
M |
26 |
7 |
18601 |
◊ |
H |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
33 |
12 |
15056 |
291.3 |
-1.3 |
0.836 |
4 |
0 |
0 |
0.000 |
Average: |
296.5 |
-1.4 |
0.827 |
4 |
0 |
0 |
0.000 |
13 |
23 |
|
[U10]R:2009 |
18 |
1 |
468 |
f |
R |
x,y,z |
1_555 |
42 |
17 |
17607 |
300.8 |
-3.9 |
0.571 |
1 |
0 |
0 |
0.048 |
14 |
24 |
|
[LDA]M:1012 |
15 |
1 |
514 |
f |
M |
x,y,z |
1_555 |
39 |
11 |
18601 |
279.2 |
3.1 |
0.600 |
0 |
0 |
0 |
0.000 |
15 |
25 |
|
[BCL]S:2001 |
33 |
1 |
968 |
f |
S |
x,y,z |
1_555 |
30 |
12 |
18606 |
268.2 |
-7.5 |
0.295 |
0 |
0 |
0 |
0.064 |
26 |
|
[BCL]M:1001 |
33 |
1 |
974 |
f |
M |
x,y,z |
1_555 |
28 |
12 |
18601 |
265.1 |
-7.3 |
0.266 |
0 |
0 |
0 |
0.064 |
Average: |
266.6 |
-7.4 |
0.281 |
0 |
0 |
0 |
0.064 |
16 |
27 |
|
[BCL]R:2004 |
28 |
1 |
1178 |
◊ |
S |
x,y,z |
1_555 |
33 |
11 |
18606 |
250.8 |
-3.2 |
0.593 |
0 |
0 |
0 |
0.015 |
28 |
|
[BCL]M:1004 |
26 |
1 |
1184 |
◊ |
M |
x,y,z |
1_555 |
31 |
10 |
18601 |
221.0 |
-2.7 |
0.567 |
0 |
0 |
0 |
0.015 |
Average: |
235.9 |
-2.9 |
0.580 |
0 |
0 |
0 |
0.015 |
17 |
29 |
|
[BCL]R:2004 |
31 |
1 |
1178 |
f |
[BPH]R:2006 |
x,y,z |
1_555 |
25 |
1 |
1353 |
249.9 |
0.1 |
0.759 |
0 |
0 |
0 |
0.007 |
30 |
|
[BCL]M:1004 |
30 |
1 |
1184 |
f |
[BPH]L:1006 |
x,y,z |
1_555 |
23 |
1 |
1351 |
241.7 |
-0.6 |
0.663 |
0 |
0 |
0 |
0.007 |
31 |
|
[BCL]M:1001 |
23 |
1 |
974 |
f |
[BPH]M:1005 |
x,y,z |
1_555 |
13 |
1 |
1004 |
107.9 |
-0.9 |
0.628 |
0 |
0 |
0 |
0.007 |
Average: |
199.8 |
-0.4 |
0.683 |
0 |
0 |
0 |
0.007 |
18 |
32 |
|
[BCL]S:2001 |
28 |
1 |
968 |
◊ |
R |
x,y,z |
1_555 |
34 |
8 |
17607 |
243.3 |
-4.5 |
0.650 |
0 |
0 |
0 |
0.022 |
33 |
|
[BCL]M:1001 |
30 |
1 |
974 |
◊ |
L |
x,y,z |
1_555 |
32 |
8 |
17596 |
241.9 |
-4.3 |
0.646 |
1 |
0 |
0 |
0.022 |
Average: |
242.6 |
-4.4 |
0.648 |
1 |
0 |
0 |
0.022 |
19 |
34 |
|
[BPH]S:2005 |
33 |
1 |
1030 |
◊ |
R |
x,y,z |
1_555 |
30 |
9 |
17607 |
239.6 |
-6.8 |
0.317 |
0 |
0 |
0 |
0.033 |
35 |
|
[BPH]M:1005 |
34 |
1 |
1004 |
◊ |
L |
x,y,z |
1_555 |
30 |
9 |
17596 |
228.7 |
-6.7 |
0.333 |
0 |
0 |
0 |
0.033 |
Average: |
234.2 |
-6.7 |
0.325 |
0 |
0 |
0 |
0.033 |
20 |
36 |
|
[BPH]R:2006 |
33 |
1 |
1353 |
◊ |
S |
x,y,z |
1_555 |
34 |
10 |
18606 |
229.2 |
-7.5 |
0.246 |
0 |
0 |
0 |
0.036 |
37 |
|
[BPH]L:1006 |
33 |
1 |
1351 |
◊ |
M |
x,y,z |
1_555 |
33 |
10 |
18601 |
223.9 |
-7.1 |
0.250 |
0 |
0 |
0 |
0.036 |
Average: |
226.6 |
-7.3 |
0.248 |
0 |
0 |
0 |
0.036 |
21 |
38 |
|
[LDA]M:1013 |
15 |
1 |
513 |
f |
M |
x,y,z |
1_555 |
26 |
10 |
18601 |
202.1 |
-2.4 |
0.112 |
0 |
0 |
0 |
0.020 |
22 |
39 |
|
[BCL]R:2004 |
27 |
1 |
1178 |
f |
[BCL]R:2002 |
x,y,z |
1_555 |
27 |
1 |
1339 |
198.5 |
-1.1 |
0.682 |
0 |
0 |
0 |
0.012 |
40 |
|
[BCL]M:1004 |
27 |
1 |
1184 |
f |
[BCL]L:1002 |
x,y,z |
1_555 |
24 |
1 |
1330 |
186.4 |
-0.2 |
0.711 |
0 |
0 |
0 |
0.012 |
41 |
|
[BCL]M:1001 |
19 |
1 |
974 |
f |
[BCL]M:1003 |
x,y,z |
1_555 |
26 |
1 |
1355 |
150.6 |
-0.7 |
0.726 |
0 |
0 |
0 |
0.012 |
Average: |
178.5 |
-0.7 |
0.706 |
0 |
0 |
0 |
0.012 |
23 |
42 |
|
R |
24 |
8 |
17607 |
◊ |
S |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
25 |
12 |
18606 |
197.4 |
-1.7 |
0.781 |
1 |
0 |
0 |
0.000 |
43 |
|
L |
21 |
8 |
17596 |
◊ |
M |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
21 |
11 |
18601 |
169.6 |
-1.3 |
0.775 |
1 |
0 |
0 |
0.000 |
Average: |
183.5 |
-1.5 |
0.778 |
1 |
0 |
0 |
0.000 |
24 |
44 |
|
[LDA]M:1014 |
9 |
1 |
347 |
f |
M |
x,y,z |
1_555 |
36 |
14 |
18601 |
195.9 |
0.8 |
0.422 |
0 |
0 |
0 |
0.000 |
25 |
45 |
|
[U10]L:1009 |
16 |
1 |
1067 |
◊ |
M |
x,y,z |
1_555 |
27 |
12 |
18601 |
190.4 |
-3.4 |
0.636 |
0 |
0 |
0 |
0.016 |
26 |
46 |
|
[BPH]M:1005 |
31 |
1 |
1004 |
f |
[BCL]M:1003 |
x,y,z |
1_555 |
19 |
1 |
1355 |
188.2 |
0.5 |
0.786 |
0 |
0 |
0 |
0.002 |
47 |
|
[BPH]S:2005 |
30 |
1 |
1030 |
f |
[BCL]S:2003 |
x,y,z |
1_555 |
17 |
1 |
1368 |
167.5 |
-0.2 |
0.728 |
0 |
0 |
0 |
0.002 |
Average: |
177.8 |
0.1 |
0.757 |
0 |
0 |
0 |
0.002 |
27 |
48 |
|
[BCL]S:2001 |
24 |
1 |
968 |
f |
[BCL]S:2003 |
x,y,z |
1_555 |
26 |
1 |
1368 |
177.2 |
-0.0 |
0.748 |
0 |
0 |
0 |
0.000 |
28 |
49 |
|
[BPH]R:2006 |
35 |
1 |
1353 |
f |
[BCL]R:2002 |
x,y,z |
1_555 |
17 |
1 |
1339 |
176.3 |
0.3 |
0.773 |
0 |
0 |
0 |
0.000 |
50 |
|
[BPH]L:1006 |
35 |
1 |
1351 |
f |
[BCL]L:1002 |
x,y,z |
1_555 |
19 |
1 |
1330 |
172.6 |
0.5 |
0.790 |
0 |
0 |
0 |
0.000 |
Average: |
174.5 |
0.4 |
0.782 |
0 |
0 |
0 |
0.000 |
29 |
51 |
|
[BCL]S:2003 |
29 |
1 |
1368 |
◊ |
[BCL]R:2002 |
x,y,z |
1_555 |
29 |
1 |
1339 |
158.2 |
-3.9 |
0.522 |
0 |
0 |
0 |
0.019 |
52 |
|
[BCL]M:1003 |
29 |
1 |
1355 |
◊ |
[BCL]L:1002 |
x,y,z |
1_555 |
30 |
1 |
1330 |
155.7 |
-3.9 |
0.517 |
0 |
0 |
0 |
0.019 |
Average: |
156.9 |
-3.9 |
0.519 |
0 |
0 |
0 |
0.019 |
30 |
53 |
|
S |
17 |
6 |
18606 |
◊ |
L |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
15 |
4 |
17596 |
147.5 |
1.6 |
0.966 |
2 |
2 |
0 |
0.000 |
31 |
54 |
|
R |
16 |
5 |
17607 |
◊ |
H |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
18 |
6 |
15056 |
142.9 |
-1.3 |
0.725 |
2 |
0 |
0 |
0.000 |
32 |
55 |
|
[BCL]M:1003 |
19 |
1 |
1355 |
◊ |
L |
x,y,z |
1_555 |
24 |
8 |
17596 |
134.8 |
-2.0 |
0.651 |
0 |
0 |
0 |
0.009 |
56 |
|
[BCL]S:2003 |
19 |
1 |
1368 |
◊ |
R |
x,y,z |
1_555 |
24 |
8 |
17607 |
129.4 |
-1.9 |
0.663 |
0 |
0 |
0 |
0.009 |
Average: |
132.1 |
-2.0 |
0.657 |
0 |
0 |
0 |
0.009 |
33 |
57 |
|
[LDA]M:1013 |
10 |
1 |
513 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
15056 |
128.2 |
-1.2 |
0.118 |
0 |
0 |
0 |
0.010 |
34 |
58 |
|
R |
15 |
6 |
17607 |
◊ |
T |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
15 |
6 |
15069 |
115.9 |
-1.7 |
0.630 |
0 |
0 |
0 |
0.000 |
59 |
|
L |
11 |
4 |
17596 |
◊ |
H |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
13 |
4 |
15056 |
96.7 |
-1.5 |
0.597 |
0 |
0 |
0 |
0.000 |
Average: |
106.3 |
-1.6 |
0.613 |
0 |
0 |
0 |
0.000 |
35 |
60 |
|
[BCL]S:2001 |
21 |
1 |
968 |
f |
[BPH]S:2005 |
x,y,z |
1_555 |
12 |
1 |
1030 |
110.3 |
-0.8 |
0.603 |
0 |
0 |
0 |
0.007 |
36 |
61 |
|
[BCL]L:1002 |
15 |
1 |
1330 |
◊ |
M |
x,y,z |
1_555 |
13 |
6 |
18601 |
105.0 |
-2.1 |
0.483 |
0 |
0 |
0 |
0.010 |
62 |
|
[BCL]R:2002 |
17 |
1 |
1339 |
◊ |
S |
x,y,z |
1_555 |
13 |
6 |
18606 |
103.6 |
-2.1 |
0.490 |
0 |
0 |
0 |
0.010 |
Average: |
104.3 |
-2.1 |
0.487 |
0 |
0 |
0 |
0.010 |
37 |
63 |
|
L |
10 |
3 |
17596 |
◊ |
T |
-y+1/2,x+1/2,z-1/4 |
3_554 |
9 |
4 |
15069 |
102.8 |
-3.0 |
0.201 |
0 |
0 |
0 |
0.000 |
38 |
64 |
|
[LDA]M:1013 |
9 |
1 |
513 |
◊ |
[BCL]M:1004 |
x,y,z |
1_555 |
12 |
1 |
1184 |
102.2 |
2.0 |
0.443 |
0 |
0 |
0 |
0.000 |
39 |
65 |
|
M |
10 |
4 |
18601 |
◊ |
L |
-y+1,-x+1,-z+1/2 |
8_665 |
10 |
5 |
17596 |
98.5 |
-0.3 |
0.824 |
0 |
0 |
0 |
0.000 |
40 |
66 |
|
[LDA]M:1014 |
8 |
1 |
347 |
f |
[BCL]M:1001 |
x,y,z |
1_555 |
16 |
1 |
974 |
96.5 |
0.8 |
0.355 |
0 |
0 |
0 |
0.000 |
41 |
67 |
|
[U10]M:1008 |
12 |
1 |
952 |
◊ |
[BPH]L:1006 |
x,y,z |
1_555 |
6 |
1 |
1351 |
92.3 |
-1.9 |
0.511 |
0 |
0 |
0 |
0.011 |
68 |
|
[U10]S:2008 |
9 |
1 |
795 |
◊ |
[BPH]R:2006 |
x,y,z |
1_555 |
7 |
1 |
1353 |
75.7 |
-2.3 |
0.372 |
0 |
0 |
0 |
0.011 |
Average: |
84.0 |
-2.1 |
0.442 |
0 |
0 |
0 |
0.011 |
42 |
69 |
|
S |
12 |
4 |
18606 |
◊ |
H |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
11 |
4 |
15056 |
90.1 |
-0.6 |
0.736 |
1 |
0 |
0 |
0.000 |
43 |
70 |
|
[U10]M:1008 |
7 |
1 |
952 |
◊ |
L |
x,y,z |
1_555 |
11 |
2 |
17596 |
82.9 |
-1.9 |
0.466 |
0 |
0 |
0 |
0.009 |
71 |
|
[U10]S:2008 |
2 |
1 |
795 |
◊ |
R |
x,y,z |
1_555 |
5 |
2 |
17607 |
32.5 |
-0.5 |
0.519 |
0 |
0 |
0 |
0.009 |
Average: |
57.7 |
-1.2 |
0.492 |
0 |
0 |
0 |
0.009 |
44 |
72 |
|
[LDA]S:2012 |
6 |
1 |
517 |
f |
[BCL]S:2001 |
x,y,z |
1_555 |
15 |
1 |
968 |
77.4 |
0.8 |
0.511 |
0 |
0 |
0 |
0.000 |
45 |
73 |
|
[ZN]T:2010 |
1 |
1 |
98 |
f |
T |
x,y,z |
1_555 |
6 |
4 |
15069 |
51.2 |
-34.1 |
0.000 |
0 |
0 |
0 |
0.382 |
74 |
|
[ZN]H:1010 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
7 |
4 |
15056 |
50.1 |
-34.8 |
0.000 |
0 |
0 |
0 |
0.382 |
Average: |
50.6 |
-34.4 |
0.000 |
0 |
0 |
0 |
0.382 |
46 |
75 |
|
[CL]S:2011 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
5 |
2 |
18606 |
50.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.044 |
76 |
|
[CL]M:1011 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
4 |
2 |
18601 |
45.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
47.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.044 |
47 |
77 |
|
[FE2]M:1007 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
9 |
5 |
18601 |
48.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.070 |
78 |
|
[FE2]S:2007 |
1 |
1 |
137 |
f |
S |
x,y,z |
1_555 |
9 |
5 |
18606 |
48.7 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
48.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.070 |
48 |
79 |
|
[U10]M:1008 |
7 |
1 |
952 |
◊ |
[BCL]L:1002 |
x,y,z |
1_555 |
4 |
1 |
1330 |
46.8 |
-0.4 |
0.646 |
0 |
0 |
0 |
0.002 |
80 |
|
[U10]S:2008 |
7 |
1 |
795 |
◊ |
[BCL]R:2002 |
x,y,z |
1_555 |
3 |
1 |
1339 |
38.2 |
0.1 |
0.656 |
0 |
0 |
0 |
0.002 |
Average: |
42.5 |
-0.1 |
0.651 |
0 |
0 |
0 |
0.002 |
49 |
81 |
|
[U10]L:1009 |
6 |
1 |
1067 |
◊ |
[BPH]M:1005 |
x,y,z |
1_555 |
2 |
1 |
1004 |
46.8 |
-1.4 |
0.390 |
0 |
0 |
0 |
0.007 |
50 |
82 |
|
[FE2]S:2007 |
1 |
1 |
137 |
◊ |
R |
x,y,z |
1_555 |
8 |
3 |
17607 |
46.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.032 |
83 |
|
[FE2]M:1007 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
17596 |
45.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
45.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.032 |
51 |
84 |
|
[BCL]M:1001 |
6 |
1 |
974 |
◊ |
[BCL]L:1002 |
x,y,z |
1_555 |
8 |
1 |
1330 |
45.9 |
-1.2 |
0.537 |
0 |
0 |
0 |
0.006 |
85 |
|
[BCL]S:2001 |
6 |
1 |
968 |
◊ |
[BCL]R:2002 |
x,y,z |
1_555 |
8 |
1 |
1339 |
43.9 |
-1.2 |
0.541 |
0 |
0 |
0 |
0.006 |
Average: |
44.9 |
-1.2 |
0.539 |
0 |
0 |
0 |
0.006 |
52 |
86 |
|
[BCL]R:2004 |
4 |
1 |
1178 |
◊ |
[BCL]S:2003 |
x,y,z |
1_555 |
7 |
1 |
1368 |
39.5 |
-0.9 |
0.481 |
0 |
0 |
0 |
0.004 |
87 |
|
[BCL]M:1004 |
5 |
1 |
1184 |
◊ |
[BCL]M:1003 |
x,y,z |
1_555 |
8 |
1 |
1355 |
37.1 |
-0.8 |
0.510 |
0 |
0 |
0 |
0.004 |
Average: |
38.3 |
-0.8 |
0.496 |
0 |
0 |
0 |
0.004 |
53 |
88 |
|
[U10]S:2008 |
6 |
1 |
795 |
◊ |
[BCL]R:2004 |
x,y,z |
1_555 |
4 |
1 |
1178 |
37.2 |
0.7 |
0.660 |
0 |
0 |
0 |
0.000 |
89 |
|
[U10]M:1008 |
3 |
1 |
952 |
◊ |
[BCL]M:1004 |
x,y,z |
1_555 |
3 |
1 |
1184 |
37.1 |
0.5 |
0.623 |
0 |
0 |
0 |
0.000 |
Average: |
37.1 |
0.6 |
0.642 |
0 |
0 |
0 |
0.000 |
54 |
90 |
|
[LDA]M:1012 |
2 |
1 |
514 |
f |
[CL]M:1011 |
x,y,z |
1_555 |
1 |
1 |
125 |
32.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.030 |
55 |
91 |
|
[CL]M:1011 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
7 |
2 |
17596 |
32.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.018 |
92 |
|
[CL]S:2011 |
1 |
1 |
125 |
◊ |
R |
x,y,z |
1_555 |
7 |
2 |
17607 |
31.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
31.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.018 |
56 |
93 |
|
[BCL]M:1001 |
3 |
1 |
974 |
◊ |
[U10]L:1009 |
x,y,z |
1_555 |
4 |
1 |
1067 |
26.1 |
0.6 |
0.757 |
0 |
0 |
0 |
0.000 |
57 |
94 |
|
[LDA]M:1013 |
2 |
1 |
513 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
17596 |
20.3 |
-0.4 |
0.306 |
0 |
0 |
0 |
0.002 |
58 |
95 |
|
H |
2 |
1 |
15056 |
◊ |
H |
y,x,-z |
7_555 |
2 |
1 |
15056 |
18.9 |
-0.6 |
0.297 |
0 |
0 |
0 |
0.000 |
59 |
96 |
|
[U10]R:2009 |
2 |
1 |
468 |
◊ |
[BCL]S:2001 |
x,y,z |
1_555 |
3 |
1 |
968 |
17.4 |
1.0 |
0.766 |
0 |
0 |
0 |
0.000 |
60 |
97 |
|
[LDA]M:1012 |
4 |
1 |
514 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
17596 |
16.5 |
-0.1 |
0.350 |
0 |
0 |
0 |
0.000 |
61 |
98 |
|
[LDA]M:1012 |
1 |
1 |
514 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
15056 |
16.2 |
-0.1 |
0.463 |
0 |
0 |
0 |
0.000 |
62 |
99 |
|
[LDA]S:2012 |
3 |
1 |
517 |
f |
[BCL]S:2003 |
x,y,z |
1_555 |
1 |
1 |
1368 |
15.5 |
0.3 |
0.285 |
0 |
0 |
0 |
0.000 |
63 |
100 |
|
[LDA]M:1013 |
3 |
1 |
513 |
f |
[U10]M:1008 |
x,y,z |
1_555 |
1 |
1 |
952 |
14.3 |
-0.2 |
0.301 |
0 |
0 |
0 |
0.002 |
64 |
101 |
|
[U10]R:2009 |
2 |
1 |
468 |
◊ |
[BPH]S:2005 |
x,y,z |
1_555 |
1 |
1 |
1030 |
12.6 |
0.2 |
0.445 |
0 |
0 |
0 |
0.000 |
65 |
102 |
|
[U10]L:1009 |
1 |
1 |
1067 |
◊ |
[BCL]M:1003 |
x,y,z |
1_555 |
1 |
1 |
1355 |
11.6 |
0.2 |
0.657 |
0 |
0 |
0 |
0.000 |
66 |
103 |
|
[CL]M:1011 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
15056 |
4.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
104 |
|
[CL]S:2011 |
1 |
1 |
125 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
15069 |
3.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
4.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
67 |
105 |
|
[U10]M:1008 |
1 |
1 |
952 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
15056 |
4.6 |
0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
106 |
|
[U10]S:2008 |
2 |
1 |
795 |
◊ |
T |
x,y,z |
1_555 |
2 |
1 |
15069 |
2.5 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
Average: |
3.5 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
68 |
107 |
|
[U10]M:1008 |
1 |
1 |
952 |
f |
[FE2]M:1007 |
x,y,z |
1_555 |
1 |
1 |
137 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
108 |
|
[U10]S:2008 |
1 |
1 |
795 |
f |
[FE2]S:2007 |
x,y,z |
1_555 |
1 |
1 |
137 |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
69 |
109 |
|
[ZN]H:1010 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
17596 |
1.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
110 |
|
[ZN]T:2010 |
1 |
1 |
98 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
17607 |
1.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
1.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.009 |
|