## |
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 |
|
F |
29 |
6 |
1481 |
◊ |
E |
x,y,z |
1_555 |
29 |
6 |
1496 |
320.7 |
-5.4 |
0.440 |
18 |
0 |
0 |
0.263 |
2 |
|
B |
30 |
6 |
1490 |
◊ |
A |
x,y,z |
1_555 |
30 |
6 |
1511 |
315.8 |
-4.3 |
0.507 |
18 |
0 |
0 |
0.263 |
3 |
|
H |
30 |
6 |
1483 |
◊ |
G |
x,y,z |
1_555 |
29 |
6 |
1507 |
312.7 |
-4.2 |
0.534 |
18 |
0 |
0 |
0.263 |
4 |
|
D |
29 |
6 |
1496 |
◊ |
C |
x,y,z |
1_555 |
29 |
6 |
1505 |
310.6 |
-4.4 |
0.517 |
18 |
0 |
0 |
0.263 |
Average: |
315.0 |
-4.6 |
0.499 |
18 |
0 |
0 |
0.263 |
2 |
5 |
|
H |
14 |
5 |
1483 |
◊ |
F |
x,y,z |
1_555 |
16 |
6 |
1481 |
153.1 |
3.3 |
0.834 |
1 |
0 |
0 |
0.000 |
6 |
|
D |
12 |
5 |
1496 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
1490 |
134.4 |
3.1 |
0.840 |
0 |
0 |
0 |
0.000 |
Average: |
143.8 |
3.2 |
0.837 |
1 |
0 |
0 |
0.000 |
3 |
7 |
|
C |
20 |
4 |
1505 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
4 |
1496 |
120.9 |
-0.7 |
0.618 |
0 |
0 |
0 |
0.030 |
4 |
8 |
|
G |
16 |
4 |
1507 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
14 |
4 |
1483 |
115.0 |
-0.4 |
0.627 |
0 |
0 |
0 |
0.009 |
5 |
9 |
|
H |
10 |
2 |
1483 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
1496 |
94.4 |
1.0 |
0.676 |
1 |
0 |
0 |
0.000 |
10 |
|
D |
7 |
2 |
1496 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
1511 |
74.3 |
0.4 |
0.636 |
0 |
0 |
0 |
0.000 |
Average: |
84.4 |
0.7 |
0.656 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
E |
13 |
1 |
1496 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
15 |
1 |
1505 |
89.3 |
2.7 |
0.782 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
G |
12 |
1 |
1507 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
11 |
1 |
1511 |
87.3 |
1.9 |
0.742 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
E |
14 |
2 |
1496 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
2 |
1505 |
87.3 |
-2.0 |
0.435 |
0 |
0 |
0 |
0.059 |
14 |
|
G |
9 |
2 |
1507 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
13 |
2 |
1511 |
85.9 |
-0.8 |
0.523 |
0 |
0 |
0 |
0.059 |
Average: |
86.6 |
-1.4 |
0.479 |
0 |
0 |
0 |
0.059 |
9 |
15 |
|
H |
12 |
2 |
1483 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
8 |
1 |
1511 |
78.5 |
0.9 |
0.680 |
0 |
0 |
0 |
0.000 |
16 |
|
E |
10 |
1 |
1496 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
12 |
2 |
1496 |
71.1 |
1.0 |
0.690 |
0 |
0 |
0 |
0.000 |
Average: |
74.8 |
1.0 |
0.685 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
F |
13 |
1 |
1481 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
1 |
1505 |
77.6 |
3.2 |
0.838 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
G |
7 |
3 |
1507 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
1481 |
77.2 |
1.1 |
0.677 |
0 |
0 |
0 |
0.000 |
19 |
|
C |
8 |
3 |
1505 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
1490 |
75.8 |
0.1 |
0.600 |
0 |
0 |
0 |
0.000 |
Average: |
76.5 |
0.6 |
0.638 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
G |
12 |
1 |
1507 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
11 |
2 |
1490 |
76.8 |
2.8 |
0.808 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
F |
11 |
2 |
1481 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
9 |
1 |
1505 |
71.4 |
1.9 |
0.745 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
G |
9 |
1 |
1507 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
12 |
1 |
1490 |
70.8 |
2.6 |
0.793 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
B |
8 |
1 |
1490 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
1 |
1505 |
65.0 |
-1.3 |
0.466 |
0 |
0 |
0 |
0.000 |
24 |
|
G |
10 |
2 |
1507 |
◊ |
F |
x-1,y,z |
1_455 |
8 |
1 |
1481 |
52.1 |
-0.6 |
0.543 |
0 |
0 |
0 |
0.000 |
Average: |
58.5 |
-1.0 |
0.504 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[MES]D:102 |
5 |
1 |
202 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
1496 |
58.3 |
0.7 |
0.141 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
[MES]D:102 |
4 |
1 |
202 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
1511 |
55.8 |
1.2 |
0.425 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
F |
7 |
1 |
1481 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
1 |
1496 |
54.8 |
-1.2 |
0.487 |
1 |
0 |
0 |
0.006 |
19 |
28 |
|
F |
5 |
1 |
1481 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
2 |
1490 |
54.6 |
0.2 |
0.581 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
A |
7 |
1 |
1511 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
1 |
1496 |
50.7 |
-0.8 |
0.515 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
F |
7 |
2 |
1481 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
6 |
1 |
1490 |
50.3 |
0.8 |
0.646 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[CU]D:101 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
2 |
1496 |
46.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.279 |
32 |
|
[CU]H:101 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
5 |
2 |
1483 |
35.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.279 |
Average: |
41.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.279 |
23 |
33 |
|
H |
8 |
1 |
1483 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
6 |
1 |
1490 |
45.9 |
-1.8 |
0.407 |
0 |
0 |
0 |
0.038 |
24 |
34 |
|
[CL]C:102 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
1490 |
45.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.109 |
35 |
|
[CL]C:102 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
1505 |
38.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.109 |
Average: |
42.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.109 |
25 |
36 |
|
C |
5 |
2 |
1505 |
◊ |
[CU]D:101 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
45.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.224 |
37 |
|
G |
5 |
2 |
1507 |
◊ |
[CU]H:101 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
125 |
36.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.224 |
Average: |
40.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.224 |
26 |
38 |
|
[CU]C:101 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
1505 |
42.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.196 |
39 |
|
[CU]G:101 |
1 |
1 |
125 |
c |
G |
x,y,z |
1_555 |
5 |
3 |
1507 |
42.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.196 |
40 |
|
[CU]E:101 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
1483 |
41.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.196 |
41 |
|
[CU]C:101 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
1490 |
41.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.196 |
42 |
|
[CU]E:101 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
1496 |
40.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.196 |
43 |
|
[CU]G:101 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
1481 |
39.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.196 |
44 |
|
[CU]A:101 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
1511 |
33.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.196 |
45 |
|
[CU]A:101 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
1496 |
30.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.196 |
Average: |
38.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.196 |
27 |
46 |
|
H |
3 |
1 |
1483 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
1 |
1496 |
42.0 |
-1.0 |
0.265 |
0 |
0 |
0 |
0.000 |
47 |
|
H |
7 |
1 |
1483 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
4 |
1 |
1496 |
39.7 |
-0.7 |
0.340 |
0 |
0 |
0 |
0.000 |
Average: |
40.9 |
-0.9 |
0.302 |
0 |
0 |
0 |
0.000 |
28 |
48 |
|
[MOH]D:103 |
2 |
1 |
141 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
1496 |
39.2 |
-1.4 |
0.586 |
0 |
0 |
0 |
0.071 |
29 |
49 |
|
[CL]H:103 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
11 |
3 |
1490 |
38.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.079 |
30 |
50 |
|
G |
5 |
2 |
1507 |
◊ |
[CL]H:102 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
125 |
38.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.091 |
31 |
51 |
|
[CL]H:104 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
1483 |
37.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.127 |
52 |
|
[CL]F:101 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
1481 |
37.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.127 |
53 |
|
[CL]D:104 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
1496 |
35.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.127 |
54 |
|
[CL]A:103 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
1511 |
35.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.127 |
55 |
|
[CL]F:101 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
1507 |
31.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.127 |
56 |
|
[CL]H:104 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
1496 |
28.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.127 |
57 |
|
[CL]A:103 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
1496 |
27.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.127 |
58 |
|
[CL]D:104 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
1511 |
20.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
31.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.127 |
32 |
59 |
|
[MOH]D:103 |
2 |
1 |
141 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
1505 |
37.2 |
-0.6 |
0.643 |
0 |
0 |
0 |
0.006 |
33 |
60 |
|
E |
7 |
1 |
1496 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
3 |
1496 |
36.4 |
-2.9 |
0.275 |
0 |
0 |
0 |
0.146 |
61 |
|
H |
2 |
2 |
1483 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
1511 |
14.2 |
-1.4 |
0.323 |
0 |
0 |
0 |
0.146 |
Average: |
25.3 |
-2.2 |
0.299 |
0 |
0 |
0 |
0.146 |
34 |
62 |
|
E |
4 |
1 |
1496 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
1 |
1496 |
33.8 |
1.4 |
0.717 |
0 |
0 |
0 |
0.000 |
35 |
63 |
|
F |
4 |
2 |
1481 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
1505 |
33.5 |
1.5 |
0.719 |
0 |
0 |
0 |
0.000 |
64 |
|
G |
3 |
1 |
1507 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
1490 |
21.8 |
1.3 |
0.736 |
0 |
0 |
0 |
0.000 |
Average: |
27.6 |
1.4 |
0.727 |
0 |
0 |
0 |
0.000 |
36 |
65 |
|
[CL]H:103 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
7 |
1 |
1483 |
31.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.110 |
66 |
|
[CL]H:102 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
5 |
1 |
1483 |
24.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.110 |
Average: |
27.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.110 |
37 |
67 |
|
H |
4 |
1 |
1483 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
1511 |
30.4 |
1.2 |
0.697 |
0 |
0 |
0 |
0.000 |
38 |
68 |
|
E |
4 |
1 |
1496 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
3 |
1 |
1483 |
29.8 |
0.3 |
0.536 |
0 |
0 |
0 |
0.000 |
39 |
69 |
|
[CA]A:102 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
8 |
2 |
1483 |
28.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.142 |
40 |
70 |
|
[CA]E:102 |
1 |
1 |
85 |
f |
D |
x,y-1,z |
1_545 |
5 |
2 |
1496 |
28.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.283 |
41 |
71 |
|
[MES]D:102 |
4 |
1 |
202 |
cf |
[CU]A:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.026 |
42 |
72 |
|
[CL]H:104 |
1 |
1 |
125 |
f |
[CU]E:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.055 |
43 |
73 |
|
[CA]E:102 |
1 |
1 |
85 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
1505 |
26.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.214 |
44 |
74 |
|
G |
3 |
1 |
1507 |
◊ |
[CA]A:102 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
85 |
25.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.125 |
45 |
75 |
|
[CL]F:101 |
1 |
1 |
125 |
f |
[CU]G:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.051 |
46 |
76 |
|
H |
3 |
1 |
1483 |
◊ |
E |
x-1,y,z |
1_455 |
6 |
1 |
1496 |
24.8 |
-0.5 |
0.463 |
0 |
0 |
0 |
0.000 |
47 |
77 |
|
[CA]A:102 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
1511 |
24.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.221 |
78 |
|
[CA]E:102 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
1496 |
22.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.221 |
Average: |
23.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.221 |
48 |
79 |
|
[CL]H:102 |
1 |
1 |
125 |
f |
[CU]H:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.117 |
49 |
80 |
|
A |
6 |
2 |
1511 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
2 |
1505 |
22.7 |
-1.4 |
0.433 |
0 |
0 |
0 |
0.000 |
50 |
81 |
|
[CL]A:103 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
1490 |
22.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.040 |
82 |
|
[CL]D:104 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
1505 |
19.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.040 |
83 |
|
[CL]F:101 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
1483 |
14.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.040 |
84 |
|
[CL]H:104 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
1507 |
9.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.040 |
85 |
|
[CL]H:104 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
1481 |
7.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.040 |
86 |
|
[CL]F:101 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
1496 |
5.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
13.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.040 |
51 |
87 |
|
[CL]C:102 |
1 |
1 |
125 |
f |
[CU]C:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.095 |
52 |
88 |
|
[CL]H:103 |
1 |
1 |
125 |
f |
[CL]H:102 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.106 |
53 |
89 |
|
A |
4 |
1 |
1511 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
1496 |
20.9 |
0.3 |
0.542 |
0 |
0 |
0 |
0.000 |
54 |
90 |
|
[CL]H:103 |
1 |
1 |
125 |
f |
[CU]H:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.099 |
55 |
91 |
|
[CL]D:104 |
1 |
1 |
125 |
f |
[CL]A:103 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.041 |
56 |
92 |
|
G |
3 |
2 |
1507 |
◊ |
[CL]H:103 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
125 |
19.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.026 |
57 |
93 |
|
[MES]D:102 |
1 |
1 |
202 |
f |
[CL]D:104 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.025 |
94 |
|
[MES]D:102 |
3 |
1 |
202 |
f |
[CL]A:103 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
16.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.025 |
58 |
95 |
|
[CL]A:103 |
1 |
1 |
125 |
f |
[CU]A:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.039 |
59 |
96 |
|
G |
7 |
1 |
1507 |
◊ |
E |
x-1,y,z |
1_455 |
3 |
2 |
1496 |
18.1 |
-1.4 |
0.389 |
0 |
0 |
0 |
0.000 |
60 |
97 |
|
[CL]D:104 |
1 |
1 |
125 |
f |
[CU]A:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.035 |
61 |
98 |
|
F |
2 |
1 |
1481 |
◊ |
[CU]D:101 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
16.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.019 |
99 |
|
[CU]H:101 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
3 |
1 |
1490 |
12.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
14.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.019 |
62 |
100 |
|
E |
4 |
2 |
1496 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
1481 |
14.8 |
-0.8 |
0.425 |
0 |
0 |
0 |
0.000 |
63 |
101 |
|
H |
3 |
2 |
1483 |
◊ |
[CL]H:102 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
125 |
14.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
102 |
|
[MES]D:102 |
4 |
1 |
202 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
1505 |
13.4 |
0.4 |
0.030 |
0 |
0 |
0 |
0.000 |
65 |
103 |
|
[CL]H:104 |
1 |
1 |
125 |
f |
[CL]F:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.025 |
66 |
104 |
|
A |
1 |
1 |
1511 |
◊ |
[MOH]D:103 |
x-1,y,z |
1_455 |
1 |
1 |
141 |
12.1 |
-0.5 |
0.302 |
0 |
0 |
0 |
0.000 |
67 |
105 |
|
A |
3 |
1 |
1511 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
1490 |
10.6 |
-0.3 |
0.329 |
0 |
0 |
0 |
0.000 |
68 |
106 |
|
[CU]C:101 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
1496 |
9.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.021 |
107 |
|
[CU]G:101 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
1483 |
8.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.021 |
108 |
|
[CU]A:101 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
1490 |
7.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.021 |
109 |
|
[CU]E:101 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
1481 |
4.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
7.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.021 |
69 |
110 |
|
[CL]H:102 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
1 |
1490 |
7.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.012 |
70 |
111 |
|
C |
2 |
2 |
1505 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
1490 |
5.9 |
-0.1 |
0.395 |
0 |
0 |
0 |
0.000 |
112 |
|
G |
1 |
1 |
1507 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
2 |
1 |
1481 |
2.3 |
-0.0 |
0.355 |
0 |
0 |
0 |
0.000 |
Average: |
4.1 |
-0.1 |
0.375 |
0 |
0 |
0 |
0.000 |
71 |
113 |
|
[CL]H:103 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
1507 |
4.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
72 |
114 |
|
[CL]C:102 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
1511 |
3.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
73 |
115 |
|
[CL]H:104 |
1 |
1 |
125 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
2 |
1 |
1483 |
3.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
116 |
|
[CL]D:104 |
1 |
1 |
125 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
1496 |
1.9 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
2.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
74 |
117 |
|
C |
1 |
1 |
1505 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
1505 |
1.6 |
0.1 |
0.490 |
0 |
0 |
0 |
0.000 |
75 |
118 |
|
[CL]F:101 |
1 |
1 |
125 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
1 |
1 |
1483 |
1.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
76 |
119 |
|
[CL]H:103 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
1511 |
0.7 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
77 |
120 |
|
[MES]D:102 |
1 |
1 |
202 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1490 |
0.6 |
0.0 |
0.310 |
0 |
0 |
0 |
0.000 |
|