| ## |
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 |
|
M |
468 |
116 |
18640 |
◊ |
L |
x,y,z |
1_555 |
461 |
108 |
17524 |
4248.7 |
-65.2 |
0.901 |
50 |
10 |
0 |
0.438 |
2 |
|
S |
469 |
113 |
18378 |
◊ |
R |
x,y,z |
1_555 |
458 |
108 |
17539 |
4227.5 |
-66.4 |
0.865 |
50 |
11 |
0 |
0.438 |
| Average: |
4238.1 |
-65.8 |
0.883 |
50 |
11 |
0 |
0.438 |
| 2 |
3 |
|
H |
288 |
83 |
15145 |
◊ |
M |
x,y,z |
1_555 |
258 |
62 |
18640 |
2664.2 |
-22.0 |
0.926 |
37 |
13 |
0 |
0.494 |
4 |
|
T |
287 |
79 |
15033 |
◊ |
S |
x,y,z |
1_555 |
245 |
62 |
18378 |
2613.1 |
-22.7 |
0.911 |
37 |
14 |
0 |
0.494 |
| Average: |
2638.7 |
-22.3 |
0.918 |
37 |
14 |
0 |
0.494 |
| 3 |
5 |
|
T |
178 |
52 |
15033 |
◊ |
R |
x,y,z |
1_555 |
150 |
39 |
17539 |
1564.7 |
-19.1 |
0.710 |
19 |
2 |
0 |
0.476 |
6 |
|
H |
178 |
55 |
15145 |
◊ |
L |
x,y,z |
1_555 |
157 |
39 |
17524 |
1534.5 |
-16.5 |
0.806 |
20 |
2 |
0 |
0.476 |
| Average: |
1549.6 |
-17.8 |
0.758 |
20 |
2 |
0 |
0.476 |
| 4 |
7 |
|
[BCL]S:310 |
61 |
1 |
1363 |
f |
S |
x,y,z |
1_555 |
86 |
32 |
18378 |
618.0 |
-11.7 |
0.476 |
1 |
0 |
0 |
0.137 |
8 |
|
[BCL]M:310 |
56 |
1 |
1350 |
f |
M |
x,y,z |
1_555 |
77 |
30 |
18640 |
574.2 |
-10.7 |
0.436 |
1 |
0 |
0 |
0.137 |
| Average: |
596.1 |
-11.2 |
0.456 |
1 |
0 |
0 |
0.137 |
| 5 |
9 |
|
[BCL]R:282 |
58 |
1 |
1336 |
f |
R |
x,y,z |
1_555 |
85 |
28 |
17539 |
547.0 |
-8.6 |
0.640 |
2 |
0 |
0 |
0.170 |
10 |
|
[BCL]L:282 |
58 |
1 |
1334 |
f |
L |
x,y,z |
1_555 |
85 |
27 |
17524 |
545.6 |
-8.9 |
0.619 |
2 |
0 |
0 |
0.170 |
| Average: |
546.3 |
-8.8 |
0.630 |
2 |
0 |
0 |
0.170 |
| 6 |
11 |
|
[BPH]R:284 |
53 |
1 |
1350 |
◊ |
R |
x,y,z |
1_555 |
85 |
28 |
17539 |
540.9 |
-6.5 |
0.760 |
1 |
0 |
0 |
0.034 |
12 |
|
[BPH]L:285 |
51 |
1 |
1357 |
◊ |
L |
x,y,z |
1_555 |
85 |
28 |
17524 |
527.6 |
-6.4 |
0.768 |
1 |
0 |
0 |
0.034 |
| Average: |
534.3 |
-6.4 |
0.764 |
1 |
0 |
0 |
0.034 |
| 7 |
13 |
|
[U10]M:311 |
34 |
1 |
947 |
f |
M |
x,y,z |
1_555 |
68 |
20 |
18640 |
444.6 |
-5.8 |
0.777 |
2 |
0 |
0 |
0.087 |
14 |
|
[U10]S:312 |
32 |
1 |
784 |
f |
S |
x,y,z |
1_555 |
66 |
19 |
18378 |
442.0 |
-6.8 |
0.533 |
2 |
0 |
0 |
0.087 |
| Average: |
443.3 |
-6.3 |
0.655 |
2 |
0 |
0 |
0.087 |
| 8 |
15 |
|
[U10]L:286 |
33 |
1 |
1067 |
f |
L |
x,y,z |
1_555 |
50 |
17 |
17524 |
393.8 |
-5.2 |
0.733 |
2 |
0 |
0 |
0.105 |
| 9 |
16 |
|
[BPH]S:311 |
38 |
1 |
1027 |
◊ |
S |
x,y,z |
1_555 |
62 |
20 |
18378 |
385.8 |
-4.3 |
0.731 |
1 |
0 |
0 |
0.026 |
17 |
|
[BPH]L:284 |
38 |
1 |
1003 |
◊ |
M |
x,y,z |
1_555 |
59 |
19 |
18640 |
345.3 |
-4.9 |
0.723 |
1 |
0 |
0 |
0.026 |
| Average: |
365.5 |
-4.6 |
0.727 |
1 |
0 |
0 |
0.026 |
| 10 |
18 |
|
[LDA]M:315 |
15 |
1 |
507 |
f |
M |
x,y,z |
1_555 |
54 |
18 |
18640 |
331.1 |
-0.4 |
0.401 |
0 |
0 |
0 |
0.004 |
| 11 |
19 |
|
[BCL]L:283 |
39 |
1 |
1183 |
f |
L |
x,y,z |
1_555 |
39 |
13 |
17524 |
327.2 |
-7.1 |
0.380 |
0 |
0 |
0 |
0.133 |
20 |
|
[BCL]R:283 |
39 |
1 |
1178 |
f |
R |
x,y,z |
1_555 |
38 |
13 |
17539 |
322.3 |
-7.8 |
0.331 |
0 |
0 |
0 |
0.133 |
| Average: |
324.7 |
-7.5 |
0.356 |
0 |
0 |
0 |
0.133 |
| 12 |
21 |
|
M |
32 |
9 |
18640 |
◊ |
H |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
35 |
12 |
15145 |
307.5 |
-1.2 |
0.874 |
5 |
0 |
0 |
0.000 |
22 |
|
S |
29 |
7 |
18378 |
◊ |
T |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
31 |
12 |
15033 |
285.3 |
-1.6 |
0.811 |
5 |
1 |
0 |
0.000 |
| Average: |
296.4 |
-1.4 |
0.842 |
5 |
1 |
0 |
0.000 |
| 13 |
23 |
|
[BCL]S:309 |
34 |
1 |
977 |
f |
S |
x,y,z |
1_555 |
30 |
13 |
18378 |
297.3 |
-7.9 |
0.294 |
0 |
0 |
0 |
0.091 |
24 |
|
[BCL]M:309 |
34 |
1 |
977 |
f |
M |
x,y,z |
1_555 |
30 |
12 |
18640 |
271.2 |
-7.4 |
0.283 |
0 |
0 |
0 |
0.091 |
| Average: |
284.3 |
-7.6 |
0.289 |
0 |
0 |
0 |
0.091 |
| 14 |
25 |
|
[LDA]M:312 |
15 |
1 |
499 |
◊ |
M |
x,y,z |
1_555 |
46 |
12 |
18640 |
295.5 |
1.9 |
0.534 |
0 |
0 |
0 |
0.000 |
| 15 |
26 |
|
[U10]R:285 |
18 |
1 |
454 |
f |
R |
x,y,z |
1_555 |
43 |
16 |
17539 |
292.5 |
-4.0 |
0.566 |
2 |
0 |
0 |
0.083 |
| 16 |
27 |
|
[BPH]L:285 |
26 |
1 |
1357 |
◊ |
[BCL]L:283 |
x,y,z |
1_555 |
35 |
1 |
1183 |
249.8 |
-1.7 |
0.643 |
0 |
0 |
0 |
0.012 |
28 |
|
[BPH]R:284 |
25 |
1 |
1350 |
◊ |
[BCL]R:283 |
x,y,z |
1_555 |
34 |
1 |
1178 |
249.3 |
-0.8 |
0.688 |
0 |
0 |
0 |
0.012 |
29 |
|
[BPH]S:311 |
14 |
1 |
1027 |
◊ |
[BCL]S:309 |
x,y,z |
1_555 |
24 |
1 |
977 |
118.2 |
-0.7 |
0.635 |
0 |
0 |
0 |
0.012 |
30 |
|
[BPH]L:284 |
13 |
1 |
1003 |
◊ |
[BCL]M:309 |
x,y,z |
1_555 |
22 |
1 |
977 |
107.6 |
-0.8 |
0.652 |
0 |
0 |
0 |
0.012 |
| Average: |
181.2 |
-1.0 |
0.655 |
0 |
0 |
0 |
0.012 |
| 17 |
31 |
|
[BCL]S:309 |
27 |
1 |
977 |
◊ |
R |
x,y,z |
1_555 |
31 |
8 |
17539 |
249.6 |
-4.8 |
0.594 |
2 |
0 |
0 |
0.028 |
32 |
|
[BCL]M:309 |
29 |
1 |
977 |
◊ |
L |
x,y,z |
1_555 |
32 |
7 |
17524 |
239.8 |
-4.8 |
0.602 |
1 |
0 |
0 |
0.028 |
| Average: |
244.7 |
-4.8 |
0.598 |
2 |
0 |
0 |
0.028 |
| 18 |
33 |
|
[BCL]R:283 |
28 |
1 |
1178 |
◊ |
S |
x,y,z |
1_555 |
30 |
10 |
18378 |
246.2 |
-2.9 |
0.557 |
0 |
0 |
0 |
0.014 |
34 |
|
[BCL]L:283 |
28 |
1 |
1183 |
◊ |
M |
x,y,z |
1_555 |
28 |
8 |
18640 |
229.6 |
-2.9 |
0.536 |
0 |
0 |
0 |
0.014 |
| Average: |
237.9 |
-2.9 |
0.546 |
0 |
0 |
0 |
0.014 |
| 19 |
35 |
|
[BPH]S:311 |
34 |
1 |
1027 |
f |
R |
x,y,z |
1_555 |
28 |
9 |
17539 |
238.2 |
-6.9 |
0.288 |
0 |
0 |
0 |
0.118 |
36 |
|
[BPH]L:284 |
34 |
1 |
1003 |
f |
L |
x,y,z |
1_555 |
29 |
9 |
17524 |
231.6 |
-6.7 |
0.311 |
0 |
0 |
0 |
0.118 |
| Average: |
234.9 |
-6.8 |
0.299 |
0 |
0 |
0 |
0.118 |
| 20 |
37 |
|
L |
25 |
9 |
17524 |
◊ |
M |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
25 |
12 |
18640 |
236.2 |
-1.8 |
0.715 |
3 |
0 |
0 |
0.000 |
38 |
|
R |
25 |
9 |
17539 |
◊ |
S |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
24 |
11 |
18378 |
232.4 |
-2.6 |
0.567 |
2 |
0 |
0 |
0.000 |
| Average: |
234.3 |
-2.2 |
0.641 |
3 |
0 |
0 |
0.000 |
| 21 |
39 |
|
[BPH]R:284 |
33 |
1 |
1350 |
f |
S |
x,y,z |
1_555 |
33 |
10 |
18378 |
223.0 |
-7.4 |
0.232 |
0 |
0 |
0 |
0.086 |
40 |
|
[BPH]L:285 |
35 |
1 |
1357 |
f |
M |
x,y,z |
1_555 |
31 |
10 |
18640 |
221.2 |
-7.0 |
0.244 |
0 |
0 |
0 |
0.086 |
| Average: |
222.1 |
-7.2 |
0.238 |
0 |
0 |
0 |
0.086 |
| 22 |
41 |
|
[LDA]M:314 |
14 |
1 |
503 |
◊ |
M |
x,y,z |
1_555 |
36 |
8 |
18640 |
218.8 |
1.3 |
0.455 |
0 |
0 |
0 |
0.000 |
| 23 |
42 |
|
[BCL]R:283 |
26 |
1 |
1178 |
f |
[BCL]R:282 |
x,y,z |
1_555 |
28 |
1 |
1336 |
198.2 |
-1.8 |
0.608 |
0 |
0 |
0 |
0.031 |
43 |
|
[BCL]L:283 |
23 |
1 |
1183 |
f |
[BCL]L:282 |
x,y,z |
1_555 |
28 |
1 |
1334 |
196.7 |
-1.2 |
0.622 |
0 |
0 |
0 |
0.031 |
| Average: |
197.4 |
-1.5 |
0.615 |
0 |
0 |
0 |
0.031 |
| 24 |
44 |
|
[BPH]L:284 |
33 |
1 |
1003 |
◊ |
[BCL]M:310 |
x,y,z |
1_555 |
20 |
1 |
1350 |
190.5 |
0.6 |
0.808 |
0 |
0 |
0 |
0.003 |
45 |
|
[BPH]S:311 |
29 |
1 |
1027 |
◊ |
[BCL]S:310 |
x,y,z |
1_555 |
19 |
1 |
1363 |
161.2 |
-0.6 |
0.723 |
0 |
0 |
0 |
0.003 |
| Average: |
175.8 |
-0.0 |
0.766 |
0 |
0 |
0 |
0.003 |
| 25 |
46 |
|
[U10]L:286 |
16 |
1 |
1067 |
◊ |
M |
x,y,z |
1_555 |
24 |
10 |
18640 |
190.0 |
-3.0 |
0.626 |
0 |
0 |
0 |
0.015 |
| 26 |
47 |
|
[LDA]M:313 |
14 |
1 |
505 |
f |
M |
x,y,z |
1_555 |
22 |
6 |
18640 |
190.0 |
-1.0 |
0.167 |
0 |
0 |
0 |
0.012 |
| 27 |
48 |
|
[BCL]S:309 |
20 |
1 |
977 |
f |
[BCL]S:310 |
x,y,z |
1_555 |
26 |
1 |
1363 |
175.0 |
-1.3 |
0.652 |
0 |
0 |
0 |
0.015 |
| 28 |
49 |
|
[BPH]R:284 |
36 |
1 |
1350 |
◊ |
[BCL]R:282 |
x,y,z |
1_555 |
19 |
1 |
1336 |
174.6 |
-0.2 |
0.747 |
0 |
0 |
0 |
0.000 |
50 |
|
[BPH]L:285 |
36 |
1 |
1357 |
◊ |
[BCL]L:282 |
x,y,z |
1_555 |
19 |
1 |
1334 |
166.6 |
-0.1 |
0.759 |
0 |
0 |
0 |
0.000 |
| Average: |
170.6 |
-0.1 |
0.753 |
0 |
0 |
0 |
0.001 |
| 29 |
51 |
|
[LDA]M:313 |
11 |
1 |
505 |
◊ |
H |
x,y,z |
1_555 |
16 |
7 |
15145 |
166.6 |
-0.9 |
0.178 |
0 |
0 |
0 |
0.011 |
| 30 |
52 |
|
R |
17 |
5 |
17539 |
◊ |
H |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
20 |
6 |
15145 |
160.1 |
-1.4 |
0.751 |
3 |
0 |
0 |
0.000 |
| 31 |
53 |
|
S |
19 |
8 |
18378 |
◊ |
L |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
15 |
4 |
17524 |
159.7 |
1.2 |
0.954 |
3 |
4 |
0 |
0.000 |
| 32 |
54 |
|
[BCL]S:310 |
29 |
1 |
1363 |
◊ |
[BCL]R:282 |
x,y,z |
1_555 |
30 |
1 |
1336 |
157.8 |
-3.8 |
0.532 |
0 |
0 |
0 |
0.018 |
| 33 |
55 |
|
[BCL]M:310 |
29 |
1 |
1350 |
◊ |
[BCL]L:282 |
x,y,z |
1_555 |
31 |
1 |
1334 |
156.5 |
-3.7 |
0.533 |
0 |
0 |
0 |
0.018 |
| 34 |
56 |
|
[BCL]M:309 |
19 |
1 |
977 |
f |
[BCL]M:310 |
x,y,z |
1_555 |
26 |
1 |
1350 |
148.8 |
-0.6 |
0.733 |
0 |
0 |
0 |
0.007 |
| 35 |
57 |
|
[BCL]S:310 |
21 |
1 |
1363 |
◊ |
R |
x,y,z |
1_555 |
24 |
8 |
17539 |
143.1 |
-2.5 |
0.628 |
0 |
0 |
0 |
0.012 |
| 36 |
58 |
|
[BCL]M:310 |
21 |
1 |
1350 |
◊ |
L |
x,y,z |
1_555 |
22 |
8 |
17524 |
141.3 |
-2.1 |
0.645 |
0 |
0 |
0 |
0.010 |
| 37 |
59 |
|
R |
16 |
6 |
17539 |
◊ |
T |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
15 |
5 |
15033 |
127.2 |
-2.1 |
0.590 |
0 |
0 |
0 |
0.000 |
60 |
|
L |
14 |
6 |
17524 |
◊ |
H |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
16 |
6 |
15145 |
125.0 |
-1.9 |
0.593 |
0 |
0 |
0 |
0.000 |
| Average: |
126.1 |
-2.0 |
0.592 |
0 |
0 |
0 |
0.000 |
| 38 |
61 |
|
L |
10 |
3 |
17524 |
◊ |
T |
-y+1/2,x+1/2,z-1/4 |
3_554 |
10 |
5 |
15033 |
123.5 |
-3.7 |
0.134 |
0 |
0 |
0 |
0.000 |
| 39 |
62 |
|
S |
14 |
6 |
18378 |
◊ |
H |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
15 |
4 |
15145 |
112.6 |
-0.3 |
0.815 |
1 |
0 |
0 |
0.000 |
| 40 |
63 |
|
[BCL]R:282 |
19 |
1 |
1336 |
◊ |
S |
x,y,z |
1_555 |
16 |
6 |
18378 |
107.6 |
-2.2 |
0.526 |
0 |
0 |
0 |
0.011 |
64 |
|
[BCL]L:282 |
19 |
1 |
1334 |
◊ |
M |
x,y,z |
1_555 |
14 |
7 |
18640 |
106.9 |
-2.2 |
0.511 |
0 |
0 |
0 |
0.011 |
| Average: |
107.2 |
-2.2 |
0.518 |
0 |
0 |
0 |
0.011 |
| 41 |
65 |
|
M |
10 |
4 |
18640 |
◊ |
L |
-y+1,-x+1,-z+1/2 |
8_665 |
12 |
5 |
17524 |
98.8 |
-0.4 |
0.834 |
1 |
0 |
0 |
0.000 |
| 42 |
66 |
|
[LDA]M:315 |
9 |
1 |
507 |
f |
[BCL]M:309 |
x,y,z |
1_555 |
15 |
1 |
977 |
95.8 |
0.8 |
0.410 |
0 |
0 |
0 |
0.000 |
| 43 |
67 |
|
[U10]M:311 |
13 |
1 |
947 |
f |
[BPH]L:285 |
x,y,z |
1_555 |
7 |
1 |
1357 |
90.0 |
-1.5 |
0.582 |
0 |
0 |
0 |
0.025 |
68 |
|
[U10]S:312 |
5 |
1 |
784 |
f |
[BPH]R:284 |
x,y,z |
1_555 |
5 |
1 |
1350 |
70.3 |
-2.2 |
0.296 |
0 |
0 |
0 |
0.025 |
| Average: |
80.1 |
-1.9 |
0.439 |
0 |
0 |
0 |
0.025 |
| 44 |
69 |
|
[U10]M:311 |
6 |
1 |
947 |
◊ |
L |
x,y,z |
1_555 |
9 |
3 |
17524 |
82.9 |
-2.1 |
0.360 |
0 |
0 |
0 |
0.011 |
70 |
|
[U10]S:312 |
2 |
1 |
784 |
◊ |
R |
x,y,z |
1_555 |
4 |
1 |
17539 |
29.3 |
-0.6 |
0.456 |
0 |
0 |
0 |
0.011 |
| Average: |
56.1 |
-1.4 |
0.408 |
0 |
0 |
0 |
0.011 |
| 45 |
71 |
|
[LDA]M:313 |
7 |
1 |
505 |
f |
[U10]M:311 |
x,y,z |
1_555 |
8 |
1 |
947 |
67.6 |
1.4 |
0.471 |
0 |
0 |
0 |
0.000 |
| 46 |
72 |
|
[BCL]S:309 |
7 |
1 |
977 |
◊ |
[BCL]R:282 |
x,y,z |
1_555 |
8 |
1 |
1336 |
49.6 |
-1.5 |
0.513 |
0 |
0 |
0 |
0.007 |
73 |
|
[BCL]M:309 |
7 |
1 |
977 |
◊ |
[BCL]L:282 |
x,y,z |
1_555 |
8 |
1 |
1334 |
48.4 |
-1.5 |
0.514 |
0 |
0 |
0 |
0.007 |
| Average: |
49.0 |
-1.5 |
0.513 |
0 |
0 |
0 |
0.007 |
| 47 |
74 |
|
[FE2]S:308 |
1 |
1 |
137 |
f |
S |
x,y,z |
1_555 |
9 |
5 |
18378 |
49.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.101 |
75 |
|
[FE2]M:308 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
9 |
5 |
18640 |
49.0 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
49.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.101 |
| 48 |
76 |
|
[FE2]S:308 |
1 |
1 |
137 |
◊ |
R |
x,y,z |
1_555 |
8 |
3 |
17539 |
46.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.034 |
77 |
|
[FE2]M:308 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
17524 |
46.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
46.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.034 |
| 49 |
78 |
|
[U10]L:286 |
4 |
1 |
1067 |
f |
[BPH]L:284 |
x,y,z |
1_555 |
2 |
1 |
1003 |
46.0 |
-1.2 |
0.387 |
0 |
0 |
0 |
0.021 |
| 50 |
79 |
|
[U10]M:311 |
6 |
1 |
947 |
◊ |
[BCL]L:283 |
x,y,z |
1_555 |
4 |
1 |
1183 |
42.0 |
0.7 |
0.716 |
0 |
0 |
0 |
0.000 |
80 |
|
[U10]S:312 |
6 |
1 |
784 |
◊ |
[BCL]R:283 |
x,y,z |
1_555 |
3 |
1 |
1178 |
37.6 |
0.9 |
0.689 |
0 |
0 |
0 |
0.000 |
| Average: |
39.8 |
0.8 |
0.703 |
0 |
0 |
0 |
0.000 |
| 51 |
81 |
|
[BCL]R:283 |
5 |
1 |
1178 |
◊ |
[BCL]S:310 |
x,y,z |
1_555 |
8 |
1 |
1363 |
40.5 |
-1.0 |
0.498 |
0 |
0 |
0 |
0.005 |
| 52 |
82 |
|
H |
5 |
1 |
15145 |
◊ |
H |
y,x,-z |
7_555 |
5 |
1 |
15145 |
40.2 |
-1.1 |
0.377 |
0 |
0 |
0 |
0.000 |
| 53 |
83 |
|
[BCL]L:283 |
5 |
1 |
1183 |
◊ |
[BCL]M:310 |
x,y,z |
1_555 |
8 |
1 |
1350 |
39.5 |
-1.0 |
0.495 |
0 |
0 |
0 |
0.005 |
| 54 |
84 |
|
[LDA]M:314 |
5 |
1 |
503 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
15145 |
37.0 |
-0.1 |
0.321 |
0 |
0 |
0 |
0.100 |
| 55 |
85 |
|
[U10]M:311 |
7 |
1 |
947 |
◊ |
[BCL]L:282 |
x,y,z |
1_555 |
3 |
1 |
1334 |
36.6 |
-0.0 |
0.710 |
0 |
0 |
0 |
0.000 |
86 |
|
[U10]S:312 |
4 |
1 |
784 |
◊ |
[BCL]R:282 |
x,y,z |
1_555 |
3 |
1 |
1336 |
26.5 |
1.2 |
0.781 |
0 |
0 |
0 |
0.000 |
| Average: |
31.5 |
0.6 |
0.745 |
0 |
0 |
0 |
0.000 |
| 56 |
87 |
|
[U10]L:286 |
6 |
1 |
1067 |
◊ |
[BCL]M:309 |
x,y,z |
1_555 |
3 |
1 |
977 |
32.4 |
0.9 |
0.802 |
0 |
0 |
0 |
0.000 |
| 57 |
88 |
|
[U10]R:285 |
2 |
1 |
454 |
◊ |
[BCL]S:309 |
x,y,z |
1_555 |
3 |
1 |
977 |
24.4 |
1.5 |
0.860 |
0 |
0 |
0 |
0.000 |
| 58 |
89 |
|
[U10]L:286 |
1 |
1 |
1067 |
◊ |
[BCL]M:310 |
x,y,z |
1_555 |
2 |
1 |
1350 |
19.2 |
-0.2 |
0.522 |
0 |
0 |
0 |
0.000 |
| 59 |
90 |
|
[LDA]M:313 |
3 |
1 |
505 |
◊ |
[BCL]L:283 |
x,y,z |
1_555 |
3 |
1 |
1183 |
17.8 |
1.2 |
0.512 |
0 |
0 |
0 |
0.000 |
| 60 |
91 |
|
[LDA]M:312 |
2 |
1 |
499 |
f |
L |
x,y,z |
1_555 |
3 |
1 |
17524 |
11.2 |
0.0 |
0.471 |
0 |
0 |
0 |
0.000 |
| 61 |
92 |
|
[U10]R:285 |
2 |
1 |
454 |
f |
[BPH]S:311 |
x,y,z |
1_555 |
1 |
1 |
1027 |
10.4 |
0.2 |
0.448 |
0 |
0 |
0 |
0.000 |
| 62 |
93 |
|
[U10]M:311 |
1 |
1 |
947 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
15145 |
4.7 |
0.2 |
0.706 |
0 |
0 |
0 |
0.000 |
94 |
|
[U10]S:312 |
1 |
1 |
784 |
◊ |
T |
x,y,z |
1_555 |
2 |
2 |
15033 |
4.3 |
0.2 |
0.680 |
0 |
0 |
0 |
0.000 |
| Average: |
4.5 |
0.2 |
0.693 |
0 |
0 |
0 |
0.000 |
| 63 |
95 |
|
[U10]S:312 |
1 |
1 |
784 |
f |
[FE2]S:308 |
x,y,z |
1_555 |
1 |
1 |
137 |
2.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
96 |
|
[U10]M:311 |
1 |
1 |
947 |
f |
[FE2]M:308 |
x,y,z |
1_555 |
1 |
1 |
137 |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
2.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
|