| ## |
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 |
|
D |
74 |
20 |
5171 |
◊ |
C |
x,y,z |
1_555 |
70 |
19 |
5644 |
574.5 |
-7.0 |
0.111 |
4 |
6 |
0 |
0.068 |
2 |
|
B |
71 |
20 |
5782 |
◊ |
A |
x,y,z |
1_555 |
73 |
19 |
5983 |
551.6 |
-7.0 |
0.152 |
4 |
4 |
0 |
0.068 |
| Average: |
563.1 |
-7.0 |
0.132 |
4 |
5 |
0 |
0.068 |
| 2 |
3 |
|
A |
52 |
13 |
5983 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
59 |
16 |
5782 |
487.3 |
0.3 |
0.605 |
9 |
5 |
0 |
0.018 |
| 3 |
4 |
|
C |
48 |
12 |
5644 |
◊ |
B |
x,y,z |
1_555 |
48 |
14 |
5782 |
437.0 |
-0.8 |
0.462 |
12 |
8 |
0 |
0.046 |
5 |
|
D |
50 |
13 |
5171 |
◊ |
A |
x,y,z |
1_555 |
45 |
11 |
5983 |
406.8 |
-1.9 |
0.496 |
12 |
8 |
0 |
0.046 |
| Average: |
421.9 |
-1.3 |
0.479 |
12 |
8 |
0 |
0.046 |
| 4 |
6 |
|
C |
41 |
7 |
5644 |
◊ |
D |
x-1,y,z |
1_455 |
41 |
9 |
5171 |
327.1 |
2.6 |
0.747 |
3 |
7 |
0 |
0.000 |
| 5 |
7 |
|
A |
30 |
10 |
5983 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
33 |
11 |
5171 |
235.7 |
-0.8 |
0.468 |
0 |
0 |
0 |
0.002 |
| 6 |
8 |
|
A |
18 |
5 |
5983 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
20 |
6 |
5644 |
153.1 |
-2.2 |
0.239 |
2 |
0 |
0 |
0.007 |
| 7 |
9 |
|
D |
18 |
4 |
5171 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
5782 |
136.8 |
-2.4 |
0.308 |
0 |
0 |
0 |
0.011 |
10 |
|
C |
18 |
4 |
5644 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
5983 |
129.3 |
-2.2 |
0.258 |
0 |
0 |
0 |
0.011 |
| Average: |
133.0 |
-2.3 |
0.283 |
0 |
0 |
0 |
0.011 |
| 8 |
11 |
|
B |
13 |
7 |
5782 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
3 |
5983 |
122.0 |
-0.4 |
0.521 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
B |
14 |
8 |
5782 |
◊ |
D |
x-1,y,z-1 |
1_454 |
18 |
8 |
5171 |
106.3 |
0.2 |
0.592 |
1 |
0 |
0 |
0.001 |
| 10 |
13 |
|
[MLI]C:1001 |
7 |
1 |
223 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
5644 |
102.0 |
2.9 |
0.848 |
3 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[MLI]C:1001 |
7 |
1 |
223 |
f |
D |
x-1,y,z |
1_455 |
14 |
4 |
5171 |
86.2 |
1.2 |
0.666 |
2 |
0 |
0 |
0.000 |
| 12 |
15 |
|
A |
9 |
3 |
5983 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
10 |
5 |
5644 |
82.3 |
1.0 |
0.706 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[BR]C:113 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
5644 |
71.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.068 |
| 14 |
17 |
|
[BR]A:120 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
5983 |
67.5 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.045 |
| 15 |
18 |
|
[BR]A:118 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
5983 |
65.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.071 |
19 |
|
B |
18 |
7 |
5782 |
f |
[BR]A:115 |
x-1,y,z |
1_455 |
1 |
1 |
133 |
63.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.071 |
| Average: |
64.2 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.071 |
| 16 |
20 |
|
[BR]D:110 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
5171 |
64.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.138 |
21 |
|
[BR]C:111 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
5782 |
64.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.138 |
22 |
|
[BR]D:108 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
5983 |
60.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.138 |
| Average: |
63.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.138 |
| 17 |
23 |
|
[BR]A:116 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
5983 |
64.4 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.044 |
| 18 |
24 |
|
[BR]C:114 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
5644 |
62.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.059 |
| 19 |
25 |
|
[BR]A:109 |
1 |
1 |
133 |
f |
B |
-x-1,y-1/2,-z-1 |
2_444 |
8 |
2 |
5782 |
59.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.072 |
26 |
|
[BR]A:122 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
2 |
5983 |
44.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.072 |
27 |
|
[BR]A:124 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
5983 |
40.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.072 |
| Average: |
47.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.072 |
| 20 |
28 |
|
[BR]D:112 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
5171 |
57.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.063 |
| 21 |
29 |
|
[BR]B:108 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
5782 |
57.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.097 |
30 |
|
[BR]C:108 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
5644 |
55.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.097 |
31 |
|
[BR]D:107 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
5171 |
54.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.097 |
32 |
|
[BR]A:107 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
5983 |
51.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.097 |
| Average: |
54.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.097 |
| 22 |
33 |
|
[BR]A:121 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
5983 |
56.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.095 |
34 |
|
[BR]A:117 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
5983 |
55.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.095 |
35 |
|
[BR]D:111 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
5171 |
44.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.095 |
| Average: |
52.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.095 |
| 23 |
36 |
|
[BR]A:126 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
5983 |
55.9 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.113 |
37 |
|
[BR]B:109 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
5782 |
54.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.113 |
38 |
|
[BR]D:109 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
5171 |
54.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
55.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.113 |
| 24 |
39 |
|
[BR]A:110 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
5983 |
54.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.041 |
| 25 |
40 |
|
[BR]A:123 |
1 |
1 |
133 |
f |
D |
-x,y-1/2,-z |
2_545 |
8 |
5 |
5171 |
53.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.051 |
| 26 |
41 |
|
[BR]A:125 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
5983 |
52.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.102 |
42 |
|
[BR]A:124 |
1 |
1 |
133 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
14 |
4 |
5782 |
46.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.102 |
43 |
|
[BR]A:122 |
1 |
1 |
133 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
17 |
6 |
5782 |
43.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.102 |
44 |
|
[BR]A:108 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
5983 |
42.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.102 |
| Average: |
46.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.102 |
| 27 |
45 |
|
[BR]A:119 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
5983 |
51.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.030 |
| 28 |
46 |
|
[BR]C:107 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
5644 |
51.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.031 |
47 |
|
[BR]A:111 |
1 |
1 |
133 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
6 |
4 |
5171 |
50.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
50.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.031 |
| 29 |
48 |
|
A |
10 |
3 |
5983 |
f |
[BR]C:107 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
133 |
46.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| 30 |
49 |
|
[BR]A:114 |
1 |
1 |
133 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
9 |
4 |
5171 |
46.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.014 |
| 31 |
50 |
|
B |
7 |
3 |
5782 |
◊ |
[BR]D:112 |
x-1,y,z-1 |
1_454 |
1 |
1 |
133 |
46.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.042 |
| 32 |
51 |
|
[BR]D:113 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
5644 |
46.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.071 |
52 |
|
[BR]A:112 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
5782 |
43.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.071 |
53 |
|
[BR]C:110 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
5171 |
43.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.071 |
54 |
|
[BR]B:110 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
5983 |
36.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.071 |
| Average: |
42.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.071 |
| 33 |
55 |
|
[BR]A:123 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
5983 |
46.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.014 |
| 34 |
56 |
|
[BR]A:113 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
5983 |
45.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.061 |
57 |
|
[BR]C:109 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
5171 |
44.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.061 |
| Average: |
44.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.061 |
| 35 |
58 |
|
[BR]A:112 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
5983 |
44.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.143 |
59 |
|
[BR]C:110 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
5644 |
43.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.143 |
60 |
|
[BR]D:113 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
5171 |
42.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.143 |
61 |
|
[BR]B:110 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
5782 |
41.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.143 |
62 |
|
[BR]D:107 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
5644 |
34.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.143 |
63 |
|
[BR]C:108 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
5171 |
34.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.143 |
64 |
|
[BR]B:108 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
5983 |
33.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.143 |
65 |
|
[BR]A:107 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
5782 |
33.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.143 |
| Average: |
38.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.143 |
| 36 |
66 |
|
[BR]A:111 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
5983 |
43.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.027 |
| 37 |
67 |
|
[BR]B:107 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
5782 |
42.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.043 |
68 |
|
[BR]C:112 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
5644 |
39.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
40.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.043 |
| 38 |
69 |
|
A |
8 |
3 |
5983 |
◊ |
[BR]D:111 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
133 |
40.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 39 |
70 |
|
[BR]B:107 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
5983 |
40.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.037 |
71 |
|
[BR]C:112 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
5171 |
39.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.037 |
| Average: |
39.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.037 |
| 40 |
72 |
|
[BR]A:113 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
5782 |
36.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.024 |
73 |
|
[BR]C:109 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
5644 |
31.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
33.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.024 |
| 41 |
74 |
|
[BR]C:111 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
5644 |
33.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.024 |
75 |
|
[BR]D:108 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5171 |
30.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.024 |
76 |
|
[BR]D:110 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5983 |
28.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
31.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.024 |
| 42 |
77 |
|
[BR]A:110 |
1 |
1 |
133 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
2 |
5782 |
33.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| 43 |
78 |
|
D |
3 |
1 |
5171 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
2 |
1 |
5644 |
33.3 |
0.7 |
0.454 |
0 |
0 |
0 |
0.000 |
| 44 |
79 |
|
[BR]A:121 |
1 |
1 |
133 |
f |
[BR]A:117 |
x,y,z |
1_555 |
1 |
1 |
133 |
33.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.031 |
| 45 |
80 |
|
[BR]A:108 |
1 |
1 |
133 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
5 |
2 |
5171 |
31.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.040 |
81 |
|
[BR]A:125 |
1 |
1 |
133 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
4 |
2 |
5171 |
26.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
29.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.040 |
| 46 |
82 |
|
[BR]A:115 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
5983 |
31.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 47 |
83 |
|
[BR]A:114 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
5983 |
28.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.015 |
| 48 |
84 |
|
[BR]A:125 |
1 |
1 |
133 |
f |
[BR]A:108 |
x,y,z |
1_555 |
1 |
1 |
133 |
27.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.042 |
| 49 |
85 |
|
[BR]A:109 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5983 |
27.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 50 |
86 |
|
[BR]A:117 |
1 |
1 |
133 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
3 |
5782 |
27.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.011 |
| 51 |
87 |
|
[BR]B:107 |
1 |
1 |
133 |
◊ |
[BR]A:113 |
x,y,z |
1_555 |
1 |
1 |
133 |
26.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.021 |
| 52 |
88 |
|
[BR]D:113 |
1 |
1 |
133 |
f |
[BR]C:108 |
x,y,z |
1_555 |
1 |
1 |
133 |
26.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.037 |
| 53 |
89 |
|
[BR]D:107 |
1 |
1 |
133 |
f |
[BR]C:110 |
x,y,z |
1_555 |
1 |
1 |
133 |
26.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.039 |
| 54 |
90 |
|
[BR]A:114 |
1 |
1 |
133 |
◊ |
[BR]D:111 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
133 |
25.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 55 |
91 |
|
[BR]C:112 |
1 |
1 |
133 |
◊ |
[BR]C:109 |
x,y,z |
1_555 |
1 |
1 |
133 |
24.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.034 |
| 56 |
92 |
|
[BR]B:108 |
1 |
1 |
133 |
f |
[BR]A:112 |
x,y,z |
1_555 |
1 |
1 |
133 |
24.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.036 |
| 57 |
93 |
|
[BR]A:124 |
1 |
1 |
133 |
f |
[BR]A:122 |
x,y,z |
1_555 |
1 |
1 |
133 |
24.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.022 |
| 58 |
94 |
|
[BR]B:110 |
1 |
1 |
133 |
f |
[BR]A:107 |
x,y,z |
1_555 |
1 |
1 |
133 |
21.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.020 |
| 59 |
95 |
|
[BR]A:119 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
5782 |
20.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 60 |
96 |
|
[BR]A:120 |
1 |
1 |
133 |
f |
[BR]A:119 |
x,y,z |
1_555 |
1 |
1 |
133 |
19.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.018 |
| 61 |
97 |
|
A |
2 |
1 |
5983 |
◊ |
[BR]C:114 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
133 |
19.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| 62 |
98 |
|
[BR]B:110 |
1 |
1 |
133 |
f |
[BR]A:119 |
x,y,z |
1_555 |
1 |
1 |
133 |
19.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.018 |
| 63 |
99 |
|
[BR]C:114 |
1 |
1 |
133 |
◊ |
[BR]C:107 |
x,y,z |
1_555 |
1 |
1 |
133 |
18.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.008 |
| 64 |
100 |
|
[BR]A:109 |
1 |
1 |
133 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
1 |
5171 |
16.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.014 |
| 65 |
101 |
|
[BR]A:114 |
1 |
1 |
133 |
◊ |
[BR]A:108 |
x,y,z |
1_555 |
1 |
1 |
133 |
13.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.011 |
| 66 |
102 |
|
A |
4 |
2 |
5983 |
◊ |
[BR]C:109 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
133 |
11.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.003 |
| 67 |
103 |
|
[BR]C:110 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5782 |
11.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.012 |
104 |
|
[BR]A:112 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5171 |
11.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.012 |
105 |
|
[BR]B:110 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5644 |
9.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.012 |
106 |
|
[BR]C:108 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5983 |
6.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.012 |
107 |
|
[BR]B:108 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5171 |
5.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.012 |
108 |
|
[BR]D:107 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5782 |
4.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.012 |
109 |
|
[BR]A:107 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5644 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
7.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.012 |
| 68 |
110 |
|
[BR]D:113 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5983 |
10.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.003 |
| 69 |
111 |
|
[BR]A:119 |
1 |
1 |
133 |
f |
[BR]A:107 |
x,y,z |
1_555 |
1 |
1 |
133 |
9.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 70 |
112 |
|
[BR]A:110 |
1 |
1 |
133 |
◊ |
[BR]A:108 |
x,y,z |
1_555 |
1 |
1 |
133 |
9.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.007 |
| 71 |
113 |
|
A |
2 |
1 |
5983 |
◊ |
[BR]C:112 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
133 |
8.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.002 |
| 72 |
114 |
|
[BR]A:122 |
1 |
1 |
133 |
f |
[BR]A:110 |
x,y,z |
1_555 |
1 |
1 |
133 |
7.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| 73 |
115 |
|
[BR]A:123 |
1 |
1 |
133 |
◊ |
[BR]A:111 |
x,y,z |
1_555 |
1 |
1 |
133 |
7.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| 74 |
116 |
|
B |
1 |
1 |
5782 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
5644 |
6.4 |
0.3 |
0.813 |
0 |
0 |
0 |
0.000 |
| 75 |
117 |
|
[BR]A:111 |
1 |
1 |
133 |
◊ |
[BR]D:109 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
133 |
4.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.002 |
| 76 |
118 |
|
[BR]A:125 |
1 |
1 |
133 |
◊ |
[BR]A:114 |
x,y,z |
1_555 |
1 |
1 |
133 |
2.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
| 77 |
119 |
|
A |
1 |
1 |
5983 |
◊ |
[BR]C:113 |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
133 |
2.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 78 |
120 |
|
[BR]A:108 |
1 |
1 |
133 |
f |
B |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
5782 |
1.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 79 |
121 |
|
C |
1 |
1 |
5644 |
x |
C |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
5644 |
0.8 |
0.0 |
0.696 |
0 |
0 |
0 |
0.000 |
| 80 |
122 |
|
[BR]A:110 |
1 |
1 |
133 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
5171 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|