## |
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 |
|
J |
205 |
54 |
7296 |
◊ |
I |
x,y,z |
1_555 |
175 |
38 |
4918 |
1806.1 |
-27.9 |
0.249 |
31 |
2 |
0 |
1.000 |
2 |
|
F |
201 |
53 |
7376 |
◊ |
E |
x,y,z |
1_555 |
174 |
40 |
5064 |
1795.2 |
-26.6 |
0.285 |
33 |
1 |
0 |
1.000 |
3 |
|
D |
200 |
53 |
7524 |
◊ |
C |
x,y,z |
1_555 |
168 |
38 |
5105 |
1757.3 |
-26.1 |
0.422 |
32 |
2 |
0 |
1.000 |
4 |
|
L |
205 |
53 |
7304 |
◊ |
K |
x,y,z |
1_555 |
169 |
36 |
4741 |
1729.3 |
-26.2 |
0.432 |
33 |
2 |
0 |
1.000 |
5 |
|
H |
195 |
53 |
7434 |
◊ |
G |
x,y,z |
1_555 |
158 |
34 |
4189 |
1667.3 |
-25.5 |
0.334 |
31 |
1 |
0 |
1.000 |
6 |
|
B |
194 |
53 |
7410 |
◊ |
A |
x,y,z |
1_555 |
156 |
33 |
4836 |
1663.6 |
-25.3 |
0.384 |
32 |
2 |
0 |
1.000 |
Average: |
1736.5 |
-26.3 |
0.351 |
32 |
2 |
0 |
1.000 |
2 |
7 |
|
L |
63 |
22 |
7304 |
◊ |
I |
x,y,z |
1_555 |
58 |
19 |
4918 |
623.0 |
-8.7 |
0.217 |
10 |
4 |
0 |
1.000 |
8 |
|
D |
64 |
20 |
7524 |
◊ |
E |
x,y,z |
1_555 |
60 |
18 |
5064 |
584.2 |
-8.4 |
0.245 |
6 |
4 |
0 |
1.000 |
9 |
|
B |
51 |
17 |
7410 |
◊ |
C |
x,y,z |
1_555 |
47 |
16 |
5105 |
494.0 |
-7.7 |
0.151 |
8 |
4 |
0 |
1.000 |
10 |
|
F |
51 |
17 |
7376 |
◊ |
A |
x,y,z |
1_555 |
49 |
16 |
4836 |
490.1 |
-7.5 |
0.170 |
6 |
4 |
0 |
1.000 |
11 |
|
H |
48 |
17 |
7434 |
◊ |
K |
x,y,z |
1_555 |
49 |
15 |
4741 |
479.9 |
-6.0 |
0.299 |
6 |
4 |
0 |
1.000 |
12 |
|
J |
53 |
17 |
7296 |
◊ |
G |
x,y,z |
1_555 |
47 |
15 |
4189 |
473.5 |
-7.0 |
0.192 |
6 |
4 |
0 |
1.000 |
Average: |
524.1 |
-7.5 |
0.212 |
7 |
4 |
0 |
1.000 |
3 |
13 |
|
K |
43 |
9 |
4741 |
◊ |
I |
x,y,z |
1_555 |
53 |
17 |
4918 |
430.3 |
-5.1 |
0.586 |
6 |
0 |
0 |
0.858 |
14 |
|
E |
54 |
14 |
5064 |
◊ |
C |
x,y,z |
1_555 |
46 |
9 |
5105 |
417.4 |
-4.9 |
0.662 |
6 |
0 |
0 |
0.858 |
15 |
|
C |
43 |
11 |
5105 |
◊ |
A |
x,y,z |
1_555 |
35 |
10 |
4836 |
352.7 |
-5.9 |
0.523 |
4 |
0 |
0 |
0.858 |
16 |
|
K |
38 |
11 |
4741 |
◊ |
G |
x,y,z |
1_555 |
26 |
7 |
4189 |
290.0 |
-4.6 |
0.505 |
3 |
0 |
0 |
0.858 |
17 |
|
E |
30 |
9 |
5064 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
4836 |
288.1 |
-3.7 |
0.559 |
3 |
0 |
0 |
0.858 |
18 |
|
I |
31 |
8 |
4918 |
◊ |
G |
x,y,z |
1_555 |
29 |
9 |
4189 |
260.1 |
-3.2 |
0.542 |
3 |
0 |
0 |
0.858 |
Average: |
339.8 |
-4.6 |
0.563 |
4 |
0 |
0 |
0.858 |
4 |
19 |
|
H |
29 |
10 |
7434 |
◊ |
B |
x,y,z |
1_555 |
34 |
11 |
7410 |
300.7 |
-2.1 |
0.411 |
1 |
0 |
0 |
0.000 |
20 |
|
D |
26 |
9 |
7524 |
◊ |
J |
x-1,y,z |
1_455 |
34 |
11 |
7296 |
284.4 |
-3.5 |
0.369 |
1 |
0 |
0 |
0.000 |
21 |
|
L |
29 |
10 |
7304 |
◊ |
F |
x,y,z-1 |
1_554 |
39 |
11 |
7376 |
282.8 |
-1.0 |
0.618 |
1 |
2 |
0 |
0.000 |
Average: |
289.3 |
-2.2 |
0.466 |
1 |
1 |
0 |
0.000 |
5 |
22 |
|
B |
36 |
10 |
7410 |
◊ |
E |
x,y,z |
1_555 |
30 |
10 |
5064 |
285.0 |
-5.8 |
0.282 |
2 |
0 |
0 |
0.072 |
23 |
|
H |
33 |
10 |
7434 |
◊ |
I |
x,y,z |
1_555 |
33 |
9 |
4918 |
277.9 |
-5.7 |
0.293 |
2 |
0 |
0 |
0.072 |
24 |
|
D |
18 |
7 |
7524 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
4836 |
162.6 |
-3.6 |
0.253 |
1 |
0 |
0 |
0.072 |
25 |
|
L |
18 |
7 |
7304 |
◊ |
G |
x,y,z |
1_555 |
13 |
5 |
4189 |
161.7 |
-3.6 |
0.217 |
1 |
0 |
0 |
0.072 |
26 |
|
J |
18 |
7 |
7296 |
◊ |
K |
x,y,z |
1_555 |
11 |
5 |
4741 |
140.8 |
-2.8 |
0.269 |
1 |
0 |
0 |
0.072 |
27 |
|
F |
16 |
7 |
7376 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
5105 |
129.7 |
-2.5 |
0.277 |
1 |
0 |
0 |
0.072 |
Average: |
193.0 |
-4.0 |
0.265 |
1 |
0 |
0 |
0.072 |
6 |
28 |
|
H |
22 |
7 |
7434 |
◊ |
L |
x-1,y,z |
1_455 |
26 |
10 |
7304 |
260.9 |
0.9 |
0.862 |
4 |
0 |
0 |
0.000 |
29 |
|
D |
26 |
7 |
7524 |
◊ |
F |
x-1,y,z |
1_455 |
26 |
9 |
7376 |
252.5 |
-0.2 |
0.780 |
2 |
0 |
0 |
0.000 |
Average: |
256.7 |
0.4 |
0.821 |
3 |
0 |
0 |
0.000 |
7 |
30 |
|
F |
27 |
9 |
7376 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
23 |
7 |
5105 |
207.8 |
-1.3 |
0.725 |
1 |
0 |
0 |
0.000 |
8 |
31 |
|
L |
13 |
3 |
7304 |
◊ |
H |
x,y,z |
1_555 |
21 |
10 |
7434 |
180.9 |
-5.3 |
0.044 |
0 |
0 |
0 |
0.084 |
32 |
|
D |
13 |
3 |
7524 |
◊ |
B |
x,y,z |
1_555 |
21 |
10 |
7410 |
178.9 |
-5.5 |
0.041 |
0 |
0 |
0 |
0.084 |
33 |
|
J |
23 |
10 |
7296 |
◊ |
H |
x,y,z |
1_555 |
12 |
3 |
7434 |
176.3 |
-5.4 |
0.038 |
0 |
0 |
0 |
0.084 |
34 |
|
L |
20 |
10 |
7304 |
◊ |
J |
x,y,z |
1_555 |
12 |
3 |
7296 |
174.3 |
-5.4 |
0.034 |
0 |
0 |
0 |
0.084 |
35 |
|
F |
22 |
10 |
7376 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
7410 |
174.0 |
-5.4 |
0.041 |
0 |
0 |
0 |
0.084 |
36 |
|
F |
13 |
3 |
7376 |
◊ |
D |
x,y,z |
1_555 |
21 |
10 |
7524 |
171.4 |
-5.4 |
0.046 |
0 |
0 |
0 |
0.084 |
Average: |
175.9 |
-5.4 |
0.041 |
0 |
0 |
0 |
0.084 |
9 |
37 |
|
B |
21 |
6 |
7410 |
◊ |
G |
x,y,z |
1_555 |
22 |
8 |
4189 |
165.9 |
0.8 |
0.858 |
2 |
0 |
0 |
0.000 |
38 |
|
K |
20 |
8 |
4741 |
◊ |
F |
x,y,z-1 |
1_554 |
18 |
6 |
7376 |
161.4 |
1.2 |
0.875 |
1 |
0 |
0 |
0.000 |
39 |
|
C |
21 |
8 |
5105 |
◊ |
J |
x-1,y,z |
1_455 |
21 |
6 |
7296 |
157.5 |
1.2 |
0.890 |
3 |
0 |
0 |
0.000 |
Average: |
161.6 |
1.1 |
0.874 |
2 |
0 |
0 |
0.000 |
10 |
40 |
|
K |
17 |
6 |
4741 |
◊ |
H |
-x+1,y-1/2,-z-1 |
2_644 |
13 |
4 |
7434 |
163.1 |
0.3 |
0.812 |
0 |
0 |
0 |
0.000 |
11 |
41 |
|
B |
14 |
6 |
7410 |
◊ |
L |
-x+1,y-1/2,-z-1 |
2_644 |
18 |
8 |
7304 |
143.7 |
1.9 |
0.838 |
3 |
1 |
0 |
0.000 |
12 |
42 |
|
F |
17 |
4 |
7376 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
16 |
4 |
4836 |
130.2 |
-2.2 |
0.489 |
0 |
1 |
0 |
0.000 |
13 |
43 |
|
E |
13 |
5 |
5064 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
14 |
4 |
4836 |
124.8 |
-1.4 |
0.606 |
2 |
0 |
0 |
0.000 |
14 |
44 |
|
[AG2]K:7002 |
9 |
1 |
321 |
f |
K |
x,y,z |
1_555 |
17 |
8 |
4741 |
119.3 |
-0.1 |
0.568 |
1 |
0 |
0 |
0.100 |
15 |
45 |
|
[AG2]B:7001 |
9 |
1 |
318 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
5105 |
118.5 |
-0.1 |
0.581 |
1 |
0 |
0 |
0.100 |
46 |
|
[AG2]G:7003 |
9 |
1 |
320 |
f |
G |
x,y,z |
1_555 |
18 |
8 |
4189 |
118.3 |
-0.1 |
0.580 |
1 |
0 |
0 |
0.100 |
Average: |
118.4 |
-0.1 |
0.580 |
1 |
0 |
0 |
0.100 |
16 |
47 |
|
[AG2]A:7005 |
9 |
1 |
319 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
4836 |
116.4 |
-0.3 |
0.560 |
1 |
0 |
0 |
0.100 |
17 |
48 |
|
[AG2]C:7004 |
9 |
1 |
317 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
5064 |
111.8 |
-0.4 |
0.539 |
1 |
0 |
0 |
0.100 |
18 |
49 |
|
[AG2]C:7004 |
7 |
1 |
317 |
◊ |
D |
x,y,z |
1_555 |
19 |
8 |
7524 |
99.5 |
-0.1 |
0.542 |
1 |
0 |
0 |
0.061 |
50 |
|
[AG2]A:7005 |
7 |
1 |
319 |
◊ |
F |
x,y,z |
1_555 |
16 |
7 |
7376 |
96.8 |
-0.0 |
0.515 |
1 |
0 |
0 |
0.061 |
Average: |
98.2 |
-0.1 |
0.528 |
1 |
0 |
0 |
0.061 |
19 |
51 |
|
[AG2]G:7003 |
9 |
1 |
320 |
◊ |
J |
x,y,z |
1_555 |
15 |
7 |
7296 |
99.0 |
0.1 |
0.516 |
1 |
0 |
0 |
0.005 |
52 |
|
[AG2]B:7001 |
7 |
1 |
318 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
7410 |
98.0 |
0.2 |
0.534 |
1 |
0 |
0 |
0.005 |
Average: |
98.5 |
0.2 |
0.525 |
1 |
0 |
0 |
0.005 |
20 |
53 |
|
[AG2]K:7002 |
8 |
1 |
321 |
◊ |
H |
x,y,z |
1_555 |
14 |
6 |
7434 |
97.0 |
0.3 |
0.562 |
2 |
0 |
0 |
0.003 |
21 |
54 |
|
[PYR]L:53 |
5 |
1 |
204 |
cf |
L |
x,y,z |
1_555 |
11 |
6 |
7304 |
90.1 |
2.9 |
0.382 |
1 |
0 |
0 |
0.000 |
55 |
|
[PYR]H:53 |
5 |
1 |
205 |
cf |
H |
x,y,z |
1_555 |
13 |
6 |
7434 |
71.1 |
2.4 |
0.388 |
1 |
0 |
0 |
0.000 |
56 |
|
[PYR]B:53 |
5 |
1 |
203 |
cf |
B |
x,y,z |
1_555 |
11 |
6 |
7410 |
70.3 |
2.4 |
0.381 |
1 |
0 |
0 |
0.000 |
57 |
|
[PYR]J:53 |
5 |
1 |
205 |
cf |
J |
x,y,z |
1_555 |
10 |
6 |
7296 |
69.4 |
2.3 |
0.378 |
1 |
0 |
0 |
0.000 |
58 |
|
[PYR]D:53 |
5 |
1 |
204 |
cf |
D |
x,y,z |
1_555 |
10 |
5 |
7524 |
67.5 |
2.3 |
0.382 |
1 |
0 |
0 |
0.000 |
Average: |
73.7 |
2.5 |
0.382 |
1 |
0 |
0 |
0.000 |
22 |
59 |
|
D |
10 |
5 |
7524 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
5 |
1 |
4836 |
89.3 |
-2.6 |
0.161 |
0 |
0 |
0 |
0.000 |
23 |
60 |
|
[PYR]F:53 |
5 |
1 |
204 |
cf |
F |
x,y,z |
1_555 |
11 |
6 |
7376 |
67.1 |
2.2 |
0.388 |
1 |
0 |
0 |
0.000 |
24 |
61 |
|
D |
6 |
3 |
7524 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
3 |
7410 |
58.4 |
1.8 |
0.861 |
1 |
2 |
0 |
0.000 |
62 |
|
H |
6 |
3 |
7434 |
◊ |
J |
x-1,y,z |
1_455 |
8 |
2 |
7296 |
49.5 |
0.6 |
0.807 |
0 |
0 |
0 |
0.000 |
Average: |
53.9 |
1.2 |
0.834 |
1 |
1 |
0 |
0.000 |
25 |
63 |
|
J |
9 |
5 |
7296 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7410 |
54.6 |
-0.9 |
0.329 |
0 |
0 |
0 |
0.000 |
64 |
|
B |
7 |
4 |
7410 |
◊ |
J |
x-1,y,z |
1_455 |
3 |
1 |
7296 |
52.8 |
-0.9 |
0.246 |
0 |
0 |
0 |
0.000 |
65 |
|
H |
7 |
4 |
7434 |
◊ |
F |
x,y,z-1 |
1_554 |
3 |
1 |
7376 |
43.3 |
-0.6 |
0.332 |
0 |
0 |
0 |
0.000 |
Average: |
50.2 |
-0.8 |
0.302 |
0 |
0 |
0 |
0.000 |
26 |
66 |
|
D |
8 |
4 |
7524 |
◊ |
L |
x-1,y,z+1 |
1_456 |
7 |
2 |
7304 |
54.5 |
0.4 |
0.784 |
1 |
0 |
0 |
0.000 |
27 |
67 |
|
D |
5 |
3 |
7524 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
3 |
1 |
5064 |
53.0 |
0.3 |
0.585 |
0 |
0 |
0 |
0.000 |
28 |
68 |
|
F |
6 |
4 |
7376 |
◊ |
J |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
7296 |
50.2 |
-0.2 |
0.571 |
0 |
0 |
0 |
0.000 |
29 |
69 |
|
[AG2]C:7004 |
6 |
1 |
317 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
5105 |
50.0 |
0.2 |
0.598 |
2 |
0 |
0 |
0.037 |
70 |
|
[AG2]A:7005 |
6 |
1 |
319 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
5064 |
48.0 |
0.7 |
0.640 |
2 |
0 |
0 |
0.037 |
Average: |
49.0 |
0.4 |
0.619 |
2 |
0 |
0 |
0.037 |
30 |
71 |
|
E |
5 |
3 |
5064 |
◊ |
L |
x-1,y,z+1 |
1_456 |
3 |
1 |
7304 |
49.7 |
0.5 |
0.826 |
1 |
0 |
0 |
0.000 |
31 |
72 |
|
L |
5 |
1 |
7304 |
◊ |
H |
-x+1,y-1/2,-z-1 |
2_644 |
7 |
2 |
7434 |
48.9 |
-0.4 |
0.610 |
0 |
0 |
0 |
0.000 |
32 |
73 |
|
[AG2]B:7001 |
5 |
1 |
318 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
4836 |
45.5 |
0.5 |
0.638 |
2 |
0 |
0 |
0.016 |
74 |
|
[AG2]G:7003 |
8 |
1 |
320 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
4918 |
43.6 |
0.6 |
0.616 |
2 |
0 |
0 |
0.016 |
Average: |
44.6 |
0.5 |
0.627 |
2 |
0 |
0 |
0.016 |
33 |
75 |
|
[AG2]K:7002 |
8 |
1 |
321 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
4189 |
42.2 |
0.5 |
0.608 |
2 |
0 |
0 |
0.002 |
34 |
76 |
|
[PYR]L:53 |
3 |
1 |
204 |
◊ |
K |
x,y,z |
1_555 |
9 |
2 |
4741 |
41.1 |
1.2 |
0.365 |
0 |
0 |
0 |
0.000 |
77 |
|
[PYR]J:53 |
3 |
1 |
205 |
◊ |
I |
x,y,z |
1_555 |
9 |
2 |
4918 |
35.7 |
1.0 |
0.356 |
0 |
0 |
0 |
0.000 |
78 |
|
[PYR]H:53 |
3 |
1 |
205 |
◊ |
G |
x,y,z |
1_555 |
9 |
2 |
4189 |
35.4 |
0.9 |
0.355 |
0 |
0 |
0 |
0.000 |
79 |
|
[PYR]B:53 |
3 |
1 |
203 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
4836 |
32.3 |
0.9 |
0.362 |
0 |
0 |
0 |
0.000 |
Average: |
36.1 |
1.0 |
0.360 |
0 |
0 |
0 |
0.000 |
35 |
80 |
|
[PYR]D:53 |
5 |
1 |
204 |
◊ |
[AG2]C:7004 |
x,y,z |
1_555 |
7 |
1 |
317 |
40.3 |
1.2 |
0.689 |
1 |
0 |
0 |
0.000 |
36 |
81 |
|
[PYR]J:53 |
5 |
1 |
205 |
◊ |
[AG2]G:7003 |
x,y,z |
1_555 |
8 |
1 |
320 |
39.7 |
1.0 |
0.644 |
1 |
0 |
0 |
0.000 |
82 |
|
[PYR]H:53 |
5 |
1 |
205 |
◊ |
[AG2]K:7002 |
x,y,z |
1_555 |
8 |
1 |
321 |
39.4 |
1.1 |
0.674 |
1 |
0 |
0 |
0.000 |
Average: |
39.6 |
1.1 |
0.659 |
1 |
0 |
0 |
0.000 |
37 |
83 |
|
[PYR]B:53 |
5 |
1 |
203 |
◊ |
[AG2]B:7001 |
x,y,z |
1_555 |
8 |
1 |
318 |
39.3 |
1.1 |
0.615 |
0 |
0 |
0 |
0.000 |
84 |
|
[PYR]F:53 |
5 |
1 |
204 |
◊ |
[AG2]A:7005 |
x,y,z |
1_555 |
8 |
1 |
319 |
38.2 |
1.0 |
0.645 |
0 |
0 |
0 |
0.000 |
Average: |
38.7 |
1.1 |
0.630 |
0 |
0 |
0 |
0.000 |
38 |
85 |
|
[PYR]F:53 |
3 |
1 |
204 |
◊ |
E |
x,y,z |
1_555 |
9 |
2 |
5064 |
38.6 |
1.2 |
0.356 |
0 |
0 |
0 |
0.000 |
86 |
|
[PYR]D:53 |
3 |
1 |
204 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
5105 |
36.6 |
1.1 |
0.374 |
0 |
0 |
0 |
0.000 |
Average: |
37.6 |
1.2 |
0.365 |
0 |
0 |
0 |
0.000 |
39 |
87 |
|
E |
2 |
1 |
5064 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
5105 |
32.6 |
-1.0 |
0.147 |
0 |
0 |
0 |
0.000 |
40 |
88 |
|
F |
2 |
1 |
7376 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
7434 |
30.4 |
0.6 |
0.822 |
0 |
0 |
0 |
0.000 |
41 |
89 |
|
[PYR]L:53 |
2 |
1 |
204 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
4918 |
25.5 |
1.2 |
0.566 |
0 |
0 |
0 |
0.000 |
90 |
|
[PYR]D:53 |
3 |
1 |
204 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
5064 |
24.4 |
1.1 |
0.942 |
0 |
0 |
0 |
0.000 |
91 |
|
[PYR]F:53 |
2 |
1 |
204 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
4836 |
24.2 |
1.1 |
0.566 |
0 |
0 |
0 |
0.000 |
92 |
|
[PYR]J:53 |
3 |
1 |
205 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
4189 |
22.6 |
1.0 |
0.944 |
0 |
0 |
0 |
0.000 |
Average: |
24.2 |
1.1 |
0.755 |
0 |
0 |
0 |
0.000 |
42 |
93 |
|
[PYR]H:53 |
3 |
1 |
205 |
◊ |
K |
x,y,z |
1_555 |
6 |
2 |
4741 |
23.0 |
1.1 |
0.948 |
0 |
0 |
0 |
0.000 |
94 |
|
[PYR]B:53 |
3 |
1 |
203 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
5105 |
21.9 |
1.0 |
0.950 |
0 |
0 |
0 |
0.000 |
Average: |
22.5 |
1.0 |
0.949 |
0 |
0 |
0 |
0.000 |
43 |
95 |
|
H |
4 |
2 |
7434 |
◊ |
J |
-x+1,y-1/2,-z-1 |
2_644 |
4 |
3 |
7296 |
10.6 |
0.5 |
0.812 |
0 |
0 |
0 |
0.000 |
44 |
96 |
|
D |
1 |
1 |
7524 |
◊ |
L |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
7304 |
7.0 |
-0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
|