| ## |
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 |
|
B |
417 |
110 |
22341 |
◊ |
A |
x,y,z |
1_555 |
415 |
110 |
22125 |
3931.2 |
-56.7 |
0.002 |
40 |
6 |
0 |
0.277 |
2 |
|
F |
408 |
104 |
22174 |
◊ |
D |
x,y,z |
1_555 |
410 |
107 |
22218 |
3819.2 |
-55.3 |
0.002 |
34 |
3 |
0 |
0.277 |
3 |
|
E |
407 |
104 |
22218 |
◊ |
C |
x,y,z |
1_555 |
408 |
107 |
21977 |
3806.3 |
-55.2 |
0.003 |
35 |
6 |
0 |
0.277 |
| Average: |
3852.3 |
-55.7 |
0.002 |
36 |
5 |
0 |
0.277 |
| 2 |
4 |
|
C |
156 |
41 |
21977 |
◊ |
B |
x-1/2,-y+3/2,-z+2 |
3_467 |
155 |
42 |
22341 |
1340.9 |
-2.0 |
0.725 |
9 |
6 |
0 |
0.032 |
| 3 |
5 |
|
D |
140 |
39 |
22218 |
◊ |
B |
x,y,z |
1_555 |
144 |
43 |
22341 |
1340.1 |
-14.1 |
0.162 |
10 |
1 |
0 |
0.095 |
| 4 |
6 |
|
A |
125 |
36 |
22125 |
◊ |
D |
x-1/2,-y+5/2,-z+2 |
3_477 |
131 |
42 |
22218 |
1113.0 |
-1.3 |
0.749 |
7 |
5 |
0 |
0.000 |
| 5 |
7 |
|
C |
124 |
34 |
21977 |
◊ |
A |
x,y,z |
1_555 |
116 |
32 |
22125 |
1029.8 |
-4.1 |
0.490 |
11 |
2 |
0 |
0.066 |
8 |
|
E |
103 |
30 |
22218 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
4_646 |
111 |
34 |
22174 |
944.6 |
-8.1 |
0.311 |
7 |
2 |
0 |
0.066 |
| Average: |
987.2 |
-6.1 |
0.400 |
9 |
2 |
0 |
0.066 |
| 6 |
9 |
|
E |
110 |
30 |
22218 |
◊ |
F |
x-1,y,z |
1_455 |
109 |
30 |
22174 |
984.4 |
-0.2 |
0.778 |
10 |
5 |
0 |
0.000 |
| 7 |
10 |
|
[FAD]B:510 |
51 |
1 |
992 |
f |
B |
x,y,z |
1_555 |
114 |
46 |
22341 |
738.1 |
-9.9 |
0.381 |
12 |
0 |
0 |
0.163 |
11 |
|
[FAD]F:501 |
52 |
1 |
990 |
f |
F |
x,y,z |
1_555 |
112 |
47 |
22174 |
732.3 |
-9.0 |
0.394 |
11 |
0 |
0 |
0.163 |
12 |
|
[FAD]E:511 |
51 |
1 |
998 |
f |
E |
x,y,z |
1_555 |
115 |
46 |
22218 |
717.6 |
-9.4 |
0.415 |
12 |
0 |
0 |
0.163 |
13 |
|
[FAD]A:512 |
52 |
1 |
991 |
f |
A |
x,y,z |
1_555 |
114 |
46 |
22125 |
713.3 |
-9.3 |
0.407 |
12 |
0 |
0 |
0.163 |
14 |
|
[FAD]D:510 |
51 |
1 |
990 |
f |
D |
x,y,z |
1_555 |
113 |
47 |
22218 |
711.5 |
-9.2 |
0.388 |
11 |
0 |
0 |
0.163 |
15 |
|
[FAD]C:510 |
52 |
1 |
992 |
f |
C |
x,y,z |
1_555 |
111 |
46 |
21977 |
710.5 |
-9.3 |
0.392 |
11 |
0 |
0 |
0.163 |
| Average: |
720.5 |
-9.4 |
0.396 |
12 |
0 |
0 |
0.163 |
| 8 |
16 |
|
[GOL]F:504 |
6 |
1 |
221 |
f |
F |
x,y,z |
1_555 |
26 |
11 |
22174 |
134.7 |
-1.3 |
0.427 |
3 |
0 |
0 |
0.015 |
| 9 |
17 |
|
[GOL]B:505 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
22341 |
132.9 |
-0.8 |
0.494 |
2 |
0 |
0 |
0.017 |
18 |
|
[GOL]C:503 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
27 |
9 |
21977 |
130.5 |
-0.9 |
0.498 |
2 |
0 |
0 |
0.017 |
19 |
|
[GOL]D:506 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
26 |
10 |
22218 |
126.7 |
-0.7 |
0.525 |
2 |
0 |
0 |
0.017 |
20 |
|
[GOL]A:505 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
22125 |
124.4 |
-0.8 |
0.482 |
3 |
0 |
0 |
0.017 |
| Average: |
128.6 |
-0.8 |
0.500 |
2 |
0 |
0 |
0.017 |
| 10 |
21 |
|
[GOL]F:503 |
6 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
25 |
10 |
22174 |
131.8 |
-0.4 |
0.616 |
3 |
0 |
0 |
0.010 |
| 11 |
22 |
|
[GOL]E:504 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
25 |
9 |
22218 |
131.0 |
-0.7 |
0.526 |
3 |
0 |
0 |
0.011 |
| 12 |
23 |
|
[GOL]D:507 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
23 |
10 |
22218 |
126.3 |
-1.1 |
0.440 |
0 |
0 |
0 |
0.005 |
| 13 |
24 |
|
[IMD]A:506 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
22125 |
120.6 |
1.9 |
0.301 |
0 |
0 |
0 |
0.000 |
| 14 |
25 |
|
[IMD]E:506 |
5 |
1 |
198 |
f |
E |
x,y,z |
1_555 |
20 |
8 |
22218 |
120.6 |
2.4 |
0.336 |
0 |
0 |
0 |
0.000 |
| 15 |
26 |
|
[IMD]A:507 |
5 |
1 |
198 |
◊ |
C |
x,y,z |
1_555 |
22 |
10 |
21977 |
117.6 |
2.9 |
0.328 |
0 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[IMD]C:504 |
5 |
1 |
198 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
21977 |
111.1 |
2.2 |
0.315 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[SO4]F:502 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
19 |
8 |
22174 |
104.1 |
-15.3 |
0.644 |
2 |
0 |
0 |
0.092 |
| 18 |
29 |
|
[SO4]C:501 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
21977 |
103.8 |
-15.3 |
0.637 |
2 |
0 |
0 |
0.075 |
| 19 |
30 |
|
[SO4]E:502 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
22218 |
102.0 |
-15.0 |
0.629 |
2 |
0 |
0 |
0.091 |
| 20 |
31 |
|
[SO4]D:503 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
22218 |
102.0 |
-15.1 |
0.602 |
2 |
0 |
0 |
0.081 |
| 21 |
32 |
|
[SO4]A:501 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
22125 |
101.9 |
-15.2 |
0.612 |
3 |
0 |
0 |
0.070 |
| 22 |
33 |
|
[GOL]E:505 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
21977 |
100.2 |
-1.0 |
0.408 |
1 |
0 |
0 |
0.007 |
| 23 |
34 |
|
[SO4]B:501 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
22341 |
95.1 |
-13.7 |
0.615 |
3 |
0 |
0 |
0.076 |
| 24 |
35 |
|
[GOL]E:505 |
6 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
13 |
8 |
22218 |
91.4 |
0.1 |
0.670 |
3 |
0 |
0 |
0.005 |
| 25 |
36 |
|
[SO4]E:510 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
20 |
8 |
22218 |
91.1 |
-13.1 |
0.736 |
1 |
0 |
0 |
0.077 |
| 26 |
37 |
|
[SO4]B:507 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
22341 |
90.5 |
-13.2 |
0.711 |
2 |
0 |
0 |
0.071 |
| 27 |
38 |
|
[SO4]E:501 |
5 |
1 |
185 |
f |
F |
-x+1,y-1/2,-z+3/2 |
4_646 |
13 |
5 |
22174 |
90.2 |
-13.5 |
0.889 |
6 |
0 |
0 |
0.092 |
| 28 |
39 |
|
[SO4]A:504 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
22125 |
89.4 |
-12.9 |
0.691 |
2 |
0 |
0 |
0.058 |
| 29 |
40 |
|
[SO4]D:501 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
22218 |
89.0 |
-12.8 |
0.702 |
2 |
0 |
0 |
0.069 |
| 30 |
41 |
|
[SO4]A:511 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
22125 |
87.3 |
-13.1 |
0.877 |
5 |
0 |
0 |
0.065 |
| 31 |
42 |
|
[SO4]C:502 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
21977 |
84.6 |
-12.1 |
0.885 |
7 |
0 |
0 |
0.070 |
| 32 |
43 |
|
[GOL]B:506 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
22341 |
83.5 |
0.3 |
0.592 |
2 |
0 |
0 |
0.003 |
| 33 |
44 |
|
[SO4]E:503 |
5 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
22218 |
79.0 |
-9.2 |
0.918 |
2 |
0 |
0 |
0.039 |
| 34 |
45 |
|
[SO4]D:504 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
22174 |
78.0 |
-9.0 |
0.925 |
3 |
0 |
0 |
0.059 |
| 35 |
46 |
|
[SO4]D:504 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
22218 |
78.0 |
-9.3 |
0.865 |
2 |
0 |
0 |
0.040 |
| 36 |
47 |
|
[SO4]E:503 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
21977 |
77.1 |
-9.4 |
0.912 |
2 |
0 |
0 |
0.048 |
| 37 |
48 |
|
[SO4]B:503 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
22341 |
76.6 |
-9.4 |
0.912 |
3 |
0 |
0 |
0.055 |
| 38 |
49 |
|
C |
10 |
3 |
21977 |
f |
[SO4]B:508 |
x-1/2,-y+3/2,-z+2 |
3_467 |
5 |
1 |
186 |
76.5 |
-11.4 |
0.667 |
3 |
0 |
0 |
0.059 |
| 39 |
50 |
|
[SO4]D:502 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
22218 |
76.4 |
-11.1 |
0.580 |
1 |
0 |
0 |
0.059 |
| 40 |
51 |
|
[SO4]B:503 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
22125 |
76.0 |
-9.0 |
0.894 |
2 |
0 |
0 |
0.035 |
| 41 |
52 |
|
[SO4]C:509 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
21977 |
75.9 |
-11.1 |
0.609 |
5 |
0 |
0 |
0.061 |
| 42 |
53 |
|
[SO4]B:504 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
22341 |
74.5 |
-10.5 |
0.752 |
5 |
0 |
0 |
0.065 |
| 43 |
54 |
|
[SO4]D:508 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
22218 |
74.3 |
-10.4 |
0.771 |
4 |
0 |
0 |
0.062 |
| 44 |
55 |
|
[SO4]B:502 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
22341 |
72.9 |
-10.3 |
0.474 |
1 |
0 |
0 |
0.054 |
| 45 |
56 |
|
[CL]A:509 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
22125 |
72.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.041 |
| 46 |
57 |
|
[SO4]A:502 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
22125 |
72.2 |
-10.1 |
0.752 |
4 |
0 |
0 |
0.050 |
| 47 |
58 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
22125 |
72.2 |
-10.2 |
0.526 |
2 |
0 |
0 |
0.047 |
| 48 |
59 |
|
[SO4]F:507 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
22174 |
72.1 |
-9.8 |
0.728 |
2 |
0 |
0 |
0.061 |
| 49 |
60 |
|
[SO4]B:508 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
22341 |
71.7 |
-10.0 |
0.688 |
1 |
0 |
0 |
0.048 |
| 50 |
61 |
|
[SO4]D:509 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
22218 |
64.1 |
-7.5 |
0.917 |
2 |
0 |
0 |
0.043 |
| 51 |
62 |
|
[CL]F:506 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
22174 |
63.4 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.045 |
63 |
|
[CL]C:506 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
21977 |
60.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
62.1 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.045 |
| 52 |
64 |
|
[SO4]B:509 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
22341 |
62.7 |
-8.6 |
0.653 |
0 |
0 |
0 |
0.044 |
| 53 |
65 |
|
[SO4]C:502 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
22125 |
62.6 |
-7.5 |
0.870 |
2 |
0 |
0 |
0.035 |
| 54 |
66 |
|
[SO4]D:505 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
22218 |
61.7 |
-6.8 |
0.940 |
3 |
0 |
0 |
0.041 |
| 55 |
67 |
|
[CL]E:508 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
22218 |
60.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.046 |
| 56 |
68 |
|
[SO4]A:510 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
22125 |
59.5 |
-6.7 |
0.931 |
2 |
0 |
0 |
0.032 |
| 57 |
69 |
|
[CL]E:509 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
22218 |
55.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.042 |
| 58 |
70 |
|
[CL]C:507 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
21977 |
54.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.034 |
| 59 |
71 |
|
[SO4]E:501 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
22218 |
54.1 |
-7.2 |
0.689 |
1 |
0 |
0 |
0.044 |
| 60 |
72 |
|
[SO4]A:511 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
21977 |
53.5 |
-7.7 |
0.658 |
1 |
0 |
0 |
0.034 |
| 61 |
73 |
|
[CL]E:507 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
22218 |
50.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.039 |
| 62 |
74 |
|
[CL]C:508 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
21977 |
49.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.029 |
75 |
|
[CL]F:505 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
5 |
2 |
22174 |
47.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
48.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 63 |
76 |
|
[CL]A:508 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
22125 |
48.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.026 |
| 64 |
77 |
|
[FAD]B:510 |
5 |
1 |
992 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
22125 |
47.0 |
0.3 |
0.601 |
1 |
0 |
0 |
0.001 |
78 |
|
[FAD]A:512 |
5 |
1 |
991 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
22341 |
46.5 |
0.3 |
0.613 |
1 |
0 |
0 |
0.001 |
79 |
|
[FAD]E:511 |
5 |
1 |
998 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
21977 |
46.4 |
0.3 |
0.601 |
1 |
0 |
0 |
0.001 |
80 |
|
[FAD]D:510 |
5 |
1 |
990 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
22174 |
45.7 |
0.3 |
0.601 |
1 |
0 |
0 |
0.001 |
81 |
|
[FAD]F:501 |
5 |
1 |
990 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
22218 |
44.9 |
0.3 |
0.608 |
1 |
0 |
0 |
0.001 |
82 |
|
[FAD]C:510 |
5 |
1 |
992 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
22218 |
44.4 |
0.2 |
0.594 |
1 |
0 |
0 |
0.001 |
| Average: |
45.8 |
0.3 |
0.603 |
1 |
0 |
0 |
0.001 |
| 65 |
83 |
|
[IMD]C:504 |
4 |
1 |
198 |
◊ |
B |
x-1/2,-y+3/2,-z+2 |
3_467 |
4 |
2 |
22341 |
45.0 |
1.5 |
0.151 |
0 |
0 |
0 |
0.000 |
| 66 |
84 |
|
[FAD]D:510 |
5 |
1 |
990 |
f |
[GOL]D:507 |
x,y,z |
1_555 |
4 |
1 |
219 |
44.0 |
-2.3 |
0.236 |
0 |
0 |
0 |
0.012 |
| 67 |
85 |
|
[CL]C:505 |
1 |
1 |
125 |
◊ |
B |
x-1/2,-y+3/2,-z+2 |
3_467 |
3 |
2 |
22341 |
40.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| 68 |
86 |
|
[GOL]D:506 |
4 |
1 |
217 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
22174 |
40.6 |
1.5 |
0.806 |
3 |
0 |
0 |
0.000 |
87 |
|
[GOL]A:505 |
4 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
22341 |
39.1 |
1.5 |
0.788 |
3 |
0 |
0 |
0.000 |
88 |
|
[GOL]B:505 |
3 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
22125 |
36.8 |
1.6 |
0.853 |
2 |
0 |
0 |
0.000 |
| Average: |
38.8 |
1.5 |
0.816 |
3 |
0 |
0 |
0.000 |
| 69 |
89 |
|
E |
3 |
1 |
22218 |
◊ |
[GOL]F:504 |
-x+1,y-1/2,-z+3/2 |
4_646 |
4 |
1 |
221 |
40.5 |
0.7 |
0.765 |
2 |
0 |
0 |
0.001 |
| 70 |
90 |
|
[FAD]E:511 |
5 |
1 |
998 |
f |
[IMD]E:506 |
x,y,z |
1_555 |
2 |
1 |
198 |
38.7 |
-0.8 |
0.195 |
1 |
0 |
0 |
0.007 |
| 71 |
91 |
|
A |
4 |
1 |
22125 |
◊ |
[GOL]D:507 |
x-1/2,-y+5/2,-z+2 |
3_477 |
3 |
1 |
219 |
38.5 |
0.2 |
0.652 |
1 |
0 |
0 |
0.000 |
| 72 |
92 |
|
[GOL]C:503 |
3 |
1 |
217 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
22218 |
38.1 |
1.2 |
0.835 |
3 |
0 |
0 |
0.000 |
93 |
|
[GOL]F:503 |
4 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
22218 |
36.2 |
1.0 |
0.789 |
2 |
0 |
0 |
0.000 |
| Average: |
37.2 |
1.1 |
0.812 |
3 |
0 |
0 |
0.001 |
| 73 |
94 |
|
[GOL]E:504 |
4 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
21977 |
37.8 |
1.6 |
0.802 |
2 |
0 |
0 |
0.000 |
| 74 |
95 |
|
[IMD]A:507 |
4 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
22125 |
37.5 |
1.3 |
0.146 |
1 |
0 |
0 |
0.000 |
| 75 |
96 |
|
[CL]C:505 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
21977 |
35.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.019 |
| 76 |
97 |
|
[CL]E:508 |
1 |
1 |
125 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
4_646 |
7 |
2 |
22174 |
34.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| 77 |
98 |
|
[FAD]A:512 |
5 |
1 |
991 |
f |
[IMD]A:506 |
x,y,z |
1_555 |
2 |
1 |
198 |
34.9 |
-0.5 |
0.209 |
0 |
0 |
0 |
0.002 |
| 78 |
99 |
|
[FAD]C:510 |
6 |
1 |
992 |
f |
[IMD]C:504 |
x,y,z |
1_555 |
2 |
1 |
198 |
34.2 |
-0.6 |
0.219 |
0 |
0 |
0 |
0.003 |
| 79 |
100 |
|
[IMD]A:506 |
3 |
1 |
198 |
◊ |
D |
x-1/2,-y+5/2,-z+2 |
3_477 |
5 |
2 |
22218 |
32.0 |
1.1 |
0.220 |
0 |
0 |
0 |
0.000 |
| 80 |
101 |
|
E |
6 |
1 |
22218 |
x |
E |
-x,y-1/2,-z+3/2 |
4_546 |
3 |
1 |
22218 |
25.3 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
| 81 |
102 |
|
[IMD]E:506 |
3 |
1 |
198 |
◊ |
F |
x-1,y,z |
1_455 |
4 |
1 |
22174 |
21.3 |
0.7 |
0.196 |
0 |
0 |
0 |
0.000 |
| 82 |
103 |
|
A |
1 |
1 |
22125 |
◊ |
B |
x-1/2,-y+5/2,-z+2 |
3_477 |
2 |
1 |
22341 |
13.9 |
0.3 |
0.805 |
0 |
0 |
0 |
0.000 |
| 83 |
104 |
|
[GOL]D:506 |
2 |
1 |
217 |
◊ |
[SO4]D:504 |
x,y,z |
1_555 |
1 |
1 |
185 |
10.1 |
-1.3 |
0.683 |
0 |
0 |
0 |
0.005 |
| 84 |
105 |
|
[GOL]A:505 |
3 |
1 |
217 |
◊ |
[SO4]B:503 |
x,y,z |
1_555 |
1 |
1 |
185 |
9.0 |
-1.1 |
0.632 |
0 |
0 |
0 |
0.004 |
| 85 |
106 |
|
[FAD]C:510 |
2 |
1 |
992 |
◊ |
B |
x-1/2,-y+3/2,-z+2 |
3_467 |
1 |
1 |
22341 |
8.4 |
-0.2 |
0.550 |
0 |
0 |
0 |
0.001 |
| 86 |
107 |
|
[GOL]E:504 |
1 |
1 |
220 |
◊ |
[SO4]E:503 |
x,y,z |
1_555 |
1 |
1 |
185 |
7.0 |
-1.0 |
0.632 |
0 |
0 |
0 |
0.004 |
| 87 |
108 |
|
E |
1 |
1 |
22218 |
◊ |
[FAD]F:501 |
x-1,y,z |
1_455 |
1 |
1 |
990 |
4.6 |
0.2 |
0.682 |
0 |
0 |
0 |
0.000 |
|