| ## |
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 |
|
G |
123 |
39 |
15720 |
◊ |
F |
x,y,z |
1_555 |
129 |
39 |
15638 |
1104.8 |
-11.3 |
0.047 |
12 |
0 |
0 |
0.537 |
2 |
|
D |
113 |
37 |
15844 |
◊ |
A |
x,y,z |
1_555 |
123 |
43 |
15844 |
1086.0 |
-10.3 |
0.079 |
9 |
0 |
0 |
0.537 |
3 |
|
H |
115 |
38 |
15853 |
◊ |
E |
x,y,z |
1_555 |
117 |
40 |
15897 |
1019.6 |
-8.9 |
0.105 |
9 |
0 |
0 |
0.537 |
4 |
|
C |
104 |
38 |
15741 |
◊ |
B |
x,y,z |
1_555 |
108 |
37 |
15899 |
959.7 |
-8.8 |
0.095 |
9 |
0 |
0 |
0.537 |
| Average: |
1042.5 |
-9.8 |
0.082 |
10 |
0 |
0 |
0.537 |
| 2 |
5 |
|
F |
99 |
31 |
15638 |
◊ |
E |
x,y,z |
1_555 |
95 |
29 |
15897 |
901.2 |
-2.1 |
0.421 |
8 |
12 |
0 |
0.237 |
6 |
|
B |
95 |
30 |
15899 |
◊ |
A |
x,y,z |
1_555 |
97 |
30 |
15844 |
897.9 |
-1.9 |
0.446 |
4 |
10 |
0 |
0.237 |
7 |
|
H |
90 |
29 |
15853 |
◊ |
G |
x,y,z |
1_555 |
93 |
27 |
15720 |
865.0 |
-2.3 |
0.401 |
3 |
10 |
0 |
0.237 |
8 |
|
D |
94 |
29 |
15844 |
◊ |
C |
x,y,z |
1_555 |
95 |
30 |
15741 |
856.4 |
-3.9 |
0.300 |
4 |
7 |
0 |
0.237 |
| Average: |
880.1 |
-2.6 |
0.392 |
5 |
10 |
0 |
0.237 |
| 3 |
9 |
|
[UD1]H:501 |
39 |
1 |
744 |
f |
H |
x,y,z |
1_555 |
71 |
29 |
15853 |
549.0 |
-3.5 |
0.553 |
12 |
0 |
0 |
0.660 |
10 |
|
[UD1]G:501 |
39 |
1 |
741 |
f |
G |
x,y,z |
1_555 |
71 |
28 |
15720 |
541.7 |
-4.8 |
0.461 |
11 |
0 |
0 |
0.660 |
11 |
|
[UD1]F:501 |
39 |
1 |
734 |
f |
F |
x,y,z |
1_555 |
67 |
27 |
15638 |
537.6 |
-3.3 |
0.584 |
13 |
0 |
0 |
0.660 |
12 |
|
[UD1]C:501 |
39 |
1 |
735 |
f |
C |
x,y,z |
1_555 |
67 |
26 |
15741 |
536.5 |
-3.7 |
0.537 |
11 |
0 |
0 |
0.660 |
13 |
|
[UD1]A:501 |
39 |
1 |
742 |
f |
A |
x,y,z |
1_555 |
70 |
27 |
15844 |
531.4 |
-3.5 |
0.550 |
10 |
0 |
0 |
0.660 |
14 |
|
[UD1]E:501 |
39 |
1 |
742 |
f |
E |
x,y,z |
1_555 |
71 |
26 |
15897 |
525.2 |
-3.5 |
0.574 |
13 |
0 |
0 |
0.660 |
15 |
|
[UD1]B:501 |
38 |
1 |
732 |
f |
B |
x,y,z |
1_555 |
71 |
27 |
15899 |
523.9 |
-3.9 |
0.516 |
11 |
0 |
0 |
0.660 |
16 |
|
[UD1]D:501 |
39 |
1 |
744 |
f |
D |
x,y,z |
1_555 |
68 |
27 |
15844 |
489.7 |
-3.6 |
0.535 |
10 |
0 |
0 |
0.660 |
| Average: |
529.4 |
-3.7 |
0.539 |
11 |
0 |
0 |
0.660 |
| 4 |
17 |
|
C |
36 |
12 |
15741 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
15844 |
361.7 |
-4.5 |
0.099 |
1 |
0 |
0 |
0.207 |
18 |
|
H |
36 |
12 |
15853 |
◊ |
F |
x,y,z |
1_555 |
35 |
12 |
15638 |
356.0 |
-4.0 |
0.136 |
1 |
0 |
0 |
0.207 |
19 |
|
G |
36 |
12 |
15720 |
◊ |
E |
x,y,z |
1_555 |
34 |
12 |
15897 |
348.4 |
-3.7 |
0.151 |
2 |
0 |
0 |
0.207 |
20 |
|
D |
35 |
11 |
15844 |
◊ |
B |
x,y,z |
1_555 |
37 |
13 |
15899 |
343.2 |
-4.6 |
0.109 |
2 |
0 |
0 |
0.207 |
| Average: |
352.3 |
-4.2 |
0.124 |
2 |
0 |
0 |
0.207 |
| 5 |
21 |
|
H |
42 |
10 |
15853 |
◊ |
D |
x-1,y,z |
1_455 |
47 |
13 |
15844 |
356.4 |
2.3 |
0.720 |
5 |
5 |
0 |
0.000 |
22 |
|
A |
44 |
11 |
15844 |
◊ |
E |
x,y,z-1 |
1_554 |
35 |
10 |
15897 |
344.0 |
2.8 |
0.806 |
6 |
7 |
0 |
0.000 |
| Average: |
350.2 |
2.5 |
0.763 |
6 |
6 |
0 |
0.000 |
| 6 |
23 |
|
H |
31 |
12 |
15853 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
38 |
11 |
15741 |
315.9 |
1.2 |
0.679 |
4 |
0 |
0 |
0.000 |
| 7 |
24 |
|
A |
32 |
10 |
15844 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
25 |
8 |
15741 |
261.2 |
0.7 |
0.645 |
4 |
2 |
0 |
0.000 |
25 |
|
H |
30 |
11 |
15853 |
◊ |
F |
-x-2,y-1/2,-z+1 |
2_346 |
21 |
9 |
15638 |
209.7 |
2.0 |
0.787 |
4 |
2 |
0 |
0.000 |
| Average: |
235.5 |
1.3 |
0.716 |
4 |
2 |
0 |
0.000 |
| 8 |
26 |
|
A |
25 |
6 |
15844 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
16 |
5 |
15899 |
188.7 |
-0.8 |
0.393 |
1 |
1 |
0 |
0.000 |
27 |
|
H |
16 |
5 |
15853 |
◊ |
G |
-x-2,y-1/2,-z+1 |
2_346 |
15 |
6 |
15720 |
129.7 |
-0.8 |
0.399 |
0 |
2 |
0 |
0.000 |
| Average: |
159.2 |
-0.8 |
0.396 |
1 |
2 |
0 |
0.000 |
| 9 |
28 |
|
G |
23 |
10 |
15720 |
◊ |
F |
x-1,y,z |
1_455 |
20 |
9 |
15638 |
168.2 |
-1.5 |
0.327 |
0 |
0 |
0 |
0.000 |
| 10 |
29 |
|
B |
16 |
6 |
15899 |
◊ |
C |
x-1,y,z |
1_455 |
12 |
5 |
15741 |
140.6 |
0.1 |
0.574 |
1 |
2 |
0 |
0.000 |
| 11 |
30 |
|
E |
13 |
4 |
15897 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
15844 |
139.3 |
0.8 |
0.696 |
3 |
0 |
0 |
0.000 |
| 12 |
31 |
|
E |
15 |
7 |
15897 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
19 |
8 |
15899 |
131.9 |
1.2 |
0.740 |
0 |
0 |
0 |
0.000 |
| 13 |
32 |
|
[EDO]H:511 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
20 |
11 |
15853 |
119.6 |
4.2 |
0.529 |
3 |
0 |
0 |
0.000 |
| 14 |
33 |
|
[ACT]F:503 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
18 |
8 |
15638 |
113.6 |
-1.0 |
0.546 |
0 |
0 |
0 |
0.030 |
| 15 |
34 |
|
[EDO]E:506 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
17 |
9 |
15897 |
110.9 |
3.2 |
0.428 |
3 |
0 |
0 |
0.000 |
| 16 |
35 |
|
[ACT]E:502 |
4 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
20 |
11 |
15897 |
109.5 |
0.1 |
0.688 |
3 |
0 |
0 |
0.000 |
| 17 |
36 |
|
[EDO]D:508 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
15844 |
106.8 |
2.2 |
0.375 |
2 |
0 |
0 |
0.000 |
| 18 |
37 |
|
F |
10 |
4 |
15638 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
3 |
15741 |
106.4 |
1.5 |
0.834 |
3 |
3 |
0 |
0.000 |
38 |
|
B |
7 |
2 |
15899 |
◊ |
G |
x,y,z-1 |
1_554 |
8 |
5 |
15720 |
67.9 |
0.0 |
0.573 |
1 |
0 |
0 |
0.000 |
| Average: |
87.1 |
0.7 |
0.703 |
2 |
2 |
0 |
0.000 |
| 19 |
39 |
|
[ACT]A:502 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
15844 |
106.2 |
-1.2 |
0.487 |
1 |
0 |
0 |
0.070 |
| 20 |
40 |
|
[EDO]B:505 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
15899 |
106.1 |
3.1 |
0.463 |
3 |
0 |
0 |
0.000 |
| 21 |
41 |
|
[EDO]D:507 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
21 |
11 |
15844 |
105.8 |
3.2 |
0.437 |
1 |
0 |
0 |
0.000 |
| 22 |
42 |
|
[EDO]H:507 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
20 |
8 |
15853 |
105.5 |
3.0 |
0.409 |
3 |
0 |
0 |
0.000 |
| 23 |
43 |
|
[EDO]H:512 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
18 |
10 |
15853 |
105.5 |
4.1 |
0.619 |
4 |
0 |
0 |
0.000 |
| 24 |
44 |
|
H |
10 |
5 |
15853 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
15 |
6 |
15899 |
103.7 |
1.5 |
0.776 |
0 |
0 |
0 |
0.000 |
| 25 |
45 |
|
[EDO]C:506 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
15741 |
103.5 |
2.8 |
0.275 |
2 |
0 |
0 |
0.000 |
| 26 |
46 |
|
[EDO]F:505 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
18 |
8 |
15638 |
103.3 |
3.5 |
0.508 |
2 |
0 |
0 |
0.000 |
47 |
|
[EDO]C:504 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
15741 |
100.5 |
3.2 |
0.467 |
1 |
0 |
0 |
0.000 |
| Average: |
101.9 |
3.4 |
0.487 |
2 |
0 |
0 |
0.000 |
| 27 |
48 |
|
[ACT]C:503 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
15741 |
103.1 |
-1.1 |
0.448 |
1 |
0 |
0 |
0.046 |
| 28 |
49 |
|
[EDO]A:509 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
15844 |
102.9 |
2.5 |
0.272 |
2 |
0 |
0 |
0.000 |
| 29 |
50 |
|
[EDO]D:506 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
15844 |
102.2 |
2.5 |
0.386 |
2 |
0 |
0 |
0.000 |
| 30 |
51 |
|
[EDO]A:507 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
15844 |
101.5 |
2.6 |
0.395 |
2 |
0 |
0 |
0.000 |
| 31 |
52 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
15899 |
101.2 |
3.5 |
0.503 |
5 |
0 |
0 |
0.000 |
| 32 |
53 |
|
[EDO]H:508 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
16 |
8 |
15853 |
100.9 |
4.1 |
0.613 |
4 |
0 |
0 |
0.000 |
| 33 |
54 |
|
[EDO]G:504 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
13 |
6 |
15720 |
100.8 |
2.1 |
0.273 |
0 |
0 |
0 |
0.000 |
| 34 |
55 |
|
[EDO]A:506 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
15844 |
100.6 |
3.5 |
0.509 |
3 |
0 |
0 |
0.000 |
56 |
|
[EDO]G:502 |
4 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
17 |
8 |
15720 |
100.2 |
2.3 |
0.321 |
2 |
0 |
0 |
0.000 |
| Average: |
100.4 |
2.9 |
0.415 |
3 |
0 |
0 |
0.000 |
| 35 |
57 |
|
[EDO]D:509 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
15844 |
99.9 |
2.9 |
0.564 |
3 |
0 |
0 |
0.000 |
| 36 |
58 |
|
[ACT]H:504 |
4 |
1 |
181 |
f |
H |
x,y,z |
1_555 |
21 |
6 |
15853 |
97.8 |
-1.0 |
0.534 |
0 |
0 |
0 |
0.022 |
| 37 |
59 |
|
[EDO]F:508 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
14 |
5 |
15638 |
97.1 |
1.7 |
0.310 |
1 |
0 |
0 |
0.000 |
| 38 |
60 |
|
[ACT]H:503 |
4 |
1 |
182 |
f |
H |
x,y,z |
1_555 |
15 |
8 |
15853 |
96.9 |
0.0 |
0.694 |
1 |
0 |
0 |
0.009 |
| 39 |
61 |
|
[EDO]E:509 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
15897 |
95.7 |
2.9 |
0.446 |
1 |
0 |
0 |
0.000 |
| 40 |
62 |
|
[EDO]H:509 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
15 |
7 |
15853 |
94.7 |
1.6 |
0.160 |
1 |
0 |
0 |
0.000 |
| 41 |
63 |
|
[ACT]H:506 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
16 |
6 |
15853 |
93.8 |
-1.1 |
0.481 |
0 |
0 |
0 |
0.023 |
| 42 |
64 |
|
[ACT]F:504 |
4 |
1 |
181 |
f |
F |
x,y,z |
1_555 |
16 |
5 |
15638 |
93.4 |
-0.6 |
0.561 |
0 |
0 |
0 |
0.018 |
| 43 |
65 |
|
[ACT]C:502 |
4 |
1 |
180 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
15741 |
93.2 |
-0.3 |
0.542 |
1 |
0 |
0 |
0.023 |
| 44 |
66 |
|
[EDO]F:506 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
16 |
5 |
15638 |
92.7 |
2.7 |
0.281 |
1 |
0 |
0 |
0.000 |
| 45 |
67 |
|
[EDO]B:503 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
15899 |
91.9 |
3.1 |
0.499 |
1 |
0 |
0 |
0.000 |
68 |
|
[EDO]D:504 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
15844 |
83.6 |
3.5 |
0.539 |
1 |
0 |
0 |
0.000 |
| Average: |
87.8 |
3.3 |
0.519 |
1 |
0 |
0 |
0.000 |
| 46 |
69 |
|
[EDO]C:505 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
15741 |
91.2 |
1.7 |
0.197 |
1 |
0 |
0 |
0.000 |
| 47 |
70 |
|
[EDO]D:510 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
20 |
12 |
15844 |
91.0 |
1.8 |
0.444 |
0 |
0 |
0 |
0.000 |
| 48 |
71 |
|
[EDO]A:508 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
15844 |
89.9 |
2.8 |
0.500 |
2 |
0 |
0 |
0.000 |
| 49 |
72 |
|
A |
23 |
8 |
15844 |
f |
[EDO]E:507 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
89.9 |
1.6 |
0.207 |
1 |
0 |
0 |
0.000 |
| 50 |
73 |
|
[EDO]G:506 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
13 |
5 |
15720 |
89.4 |
2.4 |
0.271 |
2 |
0 |
0 |
0.000 |
| 51 |
74 |
|
[EDO]G:507 |
4 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
16 |
4 |
15720 |
86.4 |
2.2 |
0.231 |
0 |
0 |
0 |
0.000 |
| 52 |
75 |
|
[EDO]G:508 |
4 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
13 |
5 |
15720 |
85.5 |
2.9 |
0.277 |
3 |
0 |
0 |
0.000 |
| 53 |
76 |
|
[ACT]D:503 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
15844 |
85.3 |
1.0 |
0.793 |
1 |
0 |
0 |
0.000 |
| 54 |
77 |
|
[ACT]B:502 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
15899 |
84.0 |
0.3 |
0.728 |
0 |
0 |
0 |
0.000 |
| 55 |
78 |
|
[EDO]E:508 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
15897 |
83.6 |
1.7 |
0.159 |
0 |
0 |
0 |
0.000 |
| 56 |
79 |
|
[EDO]E:510 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
17 |
6 |
15897 |
83.4 |
1.2 |
0.172 |
0 |
0 |
0 |
0.000 |
| 57 |
80 |
|
[EDO]D:505 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
15844 |
81.5 |
2.6 |
0.458 |
3 |
0 |
0 |
0.000 |
| 58 |
81 |
|
[EDO]F:509 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
15897 |
81.4 |
1.9 |
0.390 |
1 |
0 |
0 |
0.000 |
| 59 |
82 |
|
[ACT]D:502 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
15844 |
81.0 |
0.0 |
0.684 |
1 |
0 |
0 |
0.008 |
| 60 |
83 |
|
[EDO]H:510 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
16 |
5 |
15853 |
79.9 |
2.0 |
0.229 |
0 |
0 |
0 |
0.000 |
| 61 |
84 |
|
[ACT]A:503 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15844 |
79.8 |
0.0 |
0.732 |
2 |
0 |
0 |
0.036 |
| 62 |
85 |
|
[EDO]H:513 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
14 |
5 |
15853 |
78.7 |
2.4 |
0.281 |
3 |
0 |
0 |
0.000 |
| 63 |
86 |
|
[EDO]F:509 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
14 |
5 |
15638 |
78.0 |
2.3 |
0.286 |
1 |
0 |
0 |
0.000 |
| 64 |
87 |
|
[ACT]H:505 |
4 |
1 |
183 |
f |
D |
x-1,y,z |
1_455 |
19 |
6 |
15844 |
77.3 |
-1.3 |
0.465 |
1 |
0 |
0 |
0.034 |
| 65 |
88 |
|
A |
12 |
5 |
15844 |
◊ |
[EDO]E:505 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
76.5 |
2.5 |
0.283 |
1 |
0 |
0 |
0.000 |
| 66 |
89 |
|
[ACT]E:503 |
4 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
15897 |
76.4 |
-0.2 |
0.669 |
0 |
0 |
0 |
0.000 |
| 67 |
90 |
|
[ACT]H:502 |
4 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
15853 |
75.7 |
-0.5 |
0.571 |
1 |
0 |
0 |
0.019 |
| 68 |
91 |
|
G |
17 |
7 |
15720 |
◊ |
[EDO]F:507 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
75.3 |
2.3 |
0.287 |
0 |
0 |
0 |
0.000 |
| 69 |
92 |
|
[ACT]A:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15844 |
74.4 |
-0.1 |
0.524 |
1 |
0 |
0 |
0.021 |
| 70 |
93 |
|
E |
11 |
3 |
15897 |
◊ |
F |
-x-1,y-1/2,-z+1 |
2_446 |
11 |
4 |
15638 |
73.7 |
-0.6 |
0.433 |
0 |
0 |
0 |
0.000 |
| 71 |
94 |
|
[EDO]G:503 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
11 |
3 |
15720 |
73.0 |
2.3 |
0.281 |
2 |
0 |
0 |
0.000 |
| 72 |
95 |
|
[EDO]C:507 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
15741 |
72.6 |
2.0 |
0.784 |
0 |
0 |
0 |
0.000 |
| 73 |
96 |
|
[ACT]E:504 |
4 |
1 |
181 |
f |
E |
x,y,z |
1_555 |
14 |
3 |
15897 |
71.4 |
-0.6 |
0.584 |
0 |
0 |
0 |
0.000 |
| 74 |
97 |
|
[EDO]E:511 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
15897 |
71.0 |
1.1 |
0.573 |
2 |
0 |
0 |
0.000 |
| 75 |
98 |
|
H |
9 |
3 |
15853 |
◊ |
E |
x-1,y,z |
1_455 |
13 |
6 |
15897 |
70.8 |
-0.2 |
0.497 |
0 |
0 |
0 |
0.000 |
| 76 |
99 |
|
[EDO]G:505 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
14 |
4 |
15720 |
70.7 |
1.6 |
0.201 |
0 |
0 |
0 |
0.000 |
| 77 |
100 |
|
[EDO]G:507 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
12 |
3 |
15853 |
70.3 |
1.9 |
0.796 |
2 |
0 |
0 |
0.000 |
| 78 |
101 |
|
[ACT]A:505 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
15844 |
70.0 |
-0.0 |
0.723 |
1 |
0 |
0 |
0.009 |
| 79 |
102 |
|
G |
8 |
3 |
15720 |
◊ |
D |
x-1,y,z+1 |
1_456 |
7 |
2 |
15844 |
66.3 |
0.7 |
0.638 |
1 |
1 |
0 |
0.000 |
| 80 |
103 |
|
H |
6 |
2 |
15853 |
◊ |
[EDO]E:511 |
x-1,y,z |
1_455 |
3 |
1 |
186 |
60.4 |
2.2 |
0.303 |
0 |
0 |
0 |
0.000 |
| 81 |
104 |
|
[EDO]F:506 |
3 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
7 |
2 |
15897 |
58.8 |
1.8 |
0.264 |
1 |
0 |
0 |
0.000 |
| 82 |
105 |
|
[EDO]E:507 |
3 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
15897 |
58.0 |
1.7 |
0.231 |
0 |
0 |
0 |
0.000 |
| 83 |
106 |
|
A |
5 |
2 |
15844 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
5 |
15844 |
58.0 |
1.0 |
0.795 |
1 |
1 |
0 |
0.000 |
| 84 |
107 |
|
D |
6 |
4 |
15844 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
6 |
4 |
15741 |
57.5 |
1.5 |
0.782 |
0 |
0 |
0 |
0.000 |
| 85 |
108 |
|
[EDO]A:507 |
4 |
1 |
184 |
f |
[UD1]A:501 |
x,y,z |
1_555 |
6 |
1 |
742 |
57.5 |
0.9 |
0.770 |
2 |
0 |
0 |
0.000 |
| 86 |
109 |
|
[EDO]E:505 |
3 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
8 |
2 |
15897 |
56.5 |
2.3 |
0.320 |
1 |
0 |
0 |
0.000 |
| 87 |
110 |
|
[EDO]A:508 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
15899 |
55.5 |
1.8 |
0.276 |
0 |
0 |
0 |
0.000 |
| 88 |
111 |
|
[EDO]D:506 |
4 |
1 |
185 |
f |
[UD1]D:501 |
x,y,z |
1_555 |
5 |
1 |
744 |
55.3 |
1.4 |
0.788 |
1 |
0 |
0 |
0.000 |
| 89 |
112 |
|
[ACT]H:503 |
4 |
1 |
182 |
f |
[UD1]H:501 |
x,y,z |
1_555 |
9 |
1 |
744 |
55.1 |
-1.3 |
0.613 |
0 |
0 |
0 |
0.027 |
| 90 |
113 |
|
[EDO]G:502 |
4 |
1 |
183 |
f |
[UD1]G:501 |
x,y,z |
1_555 |
8 |
1 |
741 |
54.7 |
-0.2 |
0.644 |
3 |
0 |
0 |
0.048 |
114 |
|
[EDO]A:506 |
4 |
1 |
184 |
f |
[UD1]A:501 |
x,y,z |
1_555 |
8 |
1 |
742 |
52.7 |
0.0 |
0.666 |
1 |
0 |
0 |
0.048 |
| Average: |
53.7 |
-0.1 |
0.655 |
2 |
0 |
0 |
0.048 |
| 91 |
115 |
|
H |
8 |
2 |
15853 |
◊ |
[ACT]D:502 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
53.8 |
0.1 |
0.742 |
1 |
0 |
0 |
0.000 |
| 92 |
116 |
|
[EDO]C:504 |
4 |
1 |
184 |
f |
[UD1]C:501 |
x,y,z |
1_555 |
9 |
1 |
735 |
53.7 |
-0.3 |
0.658 |
1 |
0 |
0 |
0.038 |
117 |
|
[EDO]F:505 |
4 |
1 |
184 |
f |
[UD1]F:501 |
x,y,z |
1_555 |
8 |
1 |
734 |
52.1 |
-0.3 |
0.643 |
2 |
0 |
0 |
0.038 |
| Average: |
52.9 |
-0.3 |
0.651 |
2 |
0 |
0 |
0.038 |
| 93 |
118 |
|
[EDO]B:503 |
4 |
1 |
183 |
f |
[UD1]B:501 |
x,y,z |
1_555 |
9 |
1 |
732 |
52.6 |
-0.1 |
0.684 |
2 |
0 |
0 |
0.040 |
119 |
|
[EDO]D:504 |
4 |
1 |
184 |
f |
[UD1]D:501 |
x,y,z |
1_555 |
8 |
1 |
744 |
48.2 |
-0.1 |
0.672 |
2 |
0 |
0 |
0.040 |
| Average: |
50.4 |
-0.1 |
0.678 |
2 |
0 |
0 |
0.040 |
| 94 |
120 |
|
[EDO]E:509 |
4 |
1 |
185 |
f |
[UD1]E:501 |
x,y,z |
1_555 |
8 |
1 |
742 |
51.9 |
-0.5 |
0.657 |
2 |
0 |
0 |
0.000 |
| 95 |
121 |
|
[EDO]F:507 |
3 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
11 |
3 |
15638 |
51.5 |
1.1 |
0.720 |
1 |
0 |
0 |
0.000 |
| 96 |
122 |
|
[EDO]G:503 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
15853 |
49.5 |
0.5 |
0.622 |
1 |
0 |
0 |
0.000 |
| 97 |
123 |
|
[EDO]D:510 |
4 |
1 |
186 |
f |
[UD1]D:501 |
x,y,z |
1_555 |
8 |
1 |
744 |
47.9 |
1.3 |
0.834 |
1 |
0 |
0 |
0.000 |
| 98 |
124 |
|
[ACT]H:505 |
4 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
15853 |
47.4 |
0.3 |
0.656 |
0 |
0 |
0 |
0.000 |
| 99 |
125 |
|
[ACT]E:502 |
4 |
1 |
182 |
f |
[UD1]E:501 |
x,y,z |
1_555 |
7 |
1 |
742 |
47.3 |
0.4 |
0.759 |
1 |
0 |
0 |
0.000 |
| 100 |
126 |
|
C |
5 |
3 |
15741 |
◊ |
F |
x,y,z-1 |
1_554 |
3 |
1 |
15638 |
44.5 |
1.1 |
0.870 |
1 |
0 |
0 |
0.000 |
127 |
|
G |
3 |
1 |
15720 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
15899 |
11.7 |
-0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
| Average: |
28.1 |
0.5 |
0.730 |
1 |
0 |
0 |
0.000 |
| 101 |
128 |
|
[ACT]F:502 |
3 |
1 |
181 |
f |
F |
x,y,z |
1_555 |
7 |
2 |
15638 |
44.0 |
-0.8 |
0.512 |
0 |
0 |
0 |
0.025 |
| 102 |
129 |
|
[EDO]D:509 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15844 |
43.5 |
0.9 |
0.828 |
1 |
0 |
0 |
0.000 |
| 103 |
130 |
|
[EDO]G:504 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
15638 |
43.3 |
0.4 |
0.298 |
0 |
0 |
0 |
0.000 |
| 104 |
131 |
|
[ACT]A:505 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
15741 |
41.3 |
0.5 |
0.725 |
0 |
0 |
0 |
0.000 |
| 105 |
132 |
|
[ACT]H:504 |
4 |
1 |
181 |
◊ |
F |
-x-2,y-1/2,-z+1 |
2_346 |
3 |
3 |
15638 |
40.0 |
0.6 |
0.805 |
2 |
0 |
0 |
0.000 |
| 106 |
133 |
|
[EDO]F:508 |
3 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
15897 |
38.9 |
1.4 |
0.920 |
1 |
0 |
0 |
0.000 |
| 107 |
134 |
|
[ACT]A:504 |
2 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
8 |
1 |
15844 |
37.9 |
-0.3 |
0.558 |
0 |
0 |
0 |
0.005 |
| 108 |
135 |
|
[ACT]A:502 |
3 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
15844 |
35.7 |
0.1 |
0.692 |
0 |
0 |
0 |
0.000 |
| 109 |
136 |
|
G |
4 |
2 |
15720 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
2 |
15897 |
34.9 |
0.4 |
0.476 |
0 |
0 |
0 |
0.000 |
| 110 |
137 |
|
[ACT]C:503 |
3 |
1 |
183 |
f |
[UD1]C:501 |
x,y,z |
1_555 |
4 |
1 |
735 |
33.0 |
0.2 |
0.669 |
0 |
0 |
0 |
0.000 |
| 111 |
138 |
|
[ACT]B:502 |
3 |
1 |
183 |
f |
[UD1]B:501 |
x,y,z |
1_555 |
3 |
1 |
732 |
30.7 |
-1.3 |
0.423 |
0 |
0 |
0 |
0.056 |
| 112 |
139 |
|
[EDO]H:507 |
3 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
15897 |
29.6 |
1.0 |
0.838 |
0 |
0 |
0 |
0.000 |
| 113 |
140 |
|
[EDO]D:510 |
3 |
1 |
186 |
f |
[EDO]D:505 |
x,y,z |
1_555 |
4 |
1 |
184 |
29.6 |
1.5 |
1.000 |
1 |
0 |
0 |
0.000 |
| 114 |
141 |
|
[EDO]B:504 |
3 |
1 |
184 |
f |
[UD1]B:501 |
x,y,z |
1_555 |
2 |
1 |
732 |
28.8 |
1.7 |
0.963 |
0 |
0 |
0 |
0.000 |
| 115 |
142 |
|
[ACT]H:505 |
2 |
1 |
183 |
◊ |
[EDO]D:507 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
28.4 |
0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
| 116 |
143 |
|
[EDO]F:508 |
2 |
1 |
184 |
◊ |
[UD1]F:501 |
x,y,z |
1_555 |
4 |
1 |
734 |
27.6 |
1.2 |
0.851 |
0 |
0 |
0 |
0.000 |
| 117 |
144 |
|
[ACT]C:503 |
3 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
15844 |
26.4 |
0.8 |
0.882 |
1 |
0 |
0 |
0.000 |
| 118 |
145 |
|
[ACT]B:502 |
1 |
1 |
183 |
f |
[ACT]A:505 |
x,y,z |
1_555 |
3 |
1 |
183 |
26.2 |
-0.8 |
0.586 |
0 |
0 |
0 |
0.034 |
| 119 |
146 |
|
F |
4 |
2 |
15638 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
15899 |
26.0 |
0.8 |
0.807 |
0 |
0 |
0 |
0.000 |
| 120 |
147 |
|
B |
6 |
2 |
15899 |
f |
[EDO]G:508 |
x,y,z-1 |
1_554 |
2 |
1 |
183 |
23.6 |
0.8 |
0.809 |
0 |
0 |
0 |
0.000 |
| 121 |
148 |
|
[EDO]D:505 |
3 |
1 |
184 |
f |
[UD1]D:501 |
x,y,z |
1_555 |
2 |
1 |
744 |
22.7 |
1.4 |
0.954 |
0 |
0 |
0 |
0.000 |
| 122 |
149 |
|
[EDO]D:510 |
2 |
1 |
186 |
f |
[EDO]D:504 |
x,y,z |
1_555 |
3 |
1 |
184 |
17.8 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
| 123 |
150 |
|
[ACT]B:502 |
2 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15844 |
17.7 |
0.6 |
0.820 |
0 |
0 |
0 |
0.000 |
| 124 |
151 |
|
[EDO]B:504 |
2 |
1 |
184 |
f |
[EDO]B:503 |
x,y,z |
1_555 |
2 |
1 |
183 |
17.3 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 125 |
152 |
|
[EDO]A:508 |
2 |
1 |
186 |
f |
[ACT]A:503 |
x,y,z |
1_555 |
1 |
1 |
181 |
14.3 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.001 |
| 126 |
153 |
|
[ACT]H:506 |
2 |
1 |
184 |
◊ |
F |
-x-2,y-1/2,-z+1 |
2_346 |
3 |
1 |
15638 |
14.2 |
-0.0 |
0.722 |
0 |
0 |
0 |
0.000 |
| 127 |
154 |
|
[EDO]H:509 |
2 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
3 |
2 |
15897 |
12.3 |
0.4 |
0.817 |
0 |
0 |
0 |
0.000 |
| 128 |
155 |
|
[EDO]D:505 |
1 |
1 |
184 |
f |
[EDO]D:504 |
x,y,z |
1_555 |
2 |
1 |
184 |
12.2 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 129 |
156 |
|
[EDO]E:509 |
1 |
1 |
185 |
f |
[ACT]E:502 |
x,y,z |
1_555 |
1 |
1 |
182 |
9.3 |
0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
| 130 |
157 |
|
[ACT]A:505 |
1 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
15899 |
8.0 |
-0.1 |
0.570 |
0 |
0 |
0 |
0.003 |
| 131 |
158 |
|
[ACT]F:503 |
1 |
1 |
182 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
15720 |
7.6 |
-0.0 |
0.420 |
0 |
0 |
0 |
0.001 |
| 132 |
159 |
|
B |
4 |
3 |
15899 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
2 |
15844 |
7.2 |
0.2 |
0.693 |
0 |
0 |
0 |
0.000 |
| 133 |
160 |
|
[EDO]G:505 |
1 |
1 |
184 |
f |
F |
x-1,y,z |
1_455 |
1 |
1 |
15638 |
5.7 |
0.2 |
0.903 |
0 |
0 |
0 |
0.000 |
| 134 |
161 |
|
[EDO]H:511 |
1 |
1 |
185 |
f |
[EDO]H:507 |
x,y,z |
1_555 |
1 |
1 |
184 |
4.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 135 |
162 |
|
[EDO]G:503 |
1 |
1 |
184 |
f |
[ACT]H:502 |
x,y,z |
1_555 |
1 |
1 |
183 |
4.2 |
0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
| 136 |
163 |
|
H |
1 |
1 |
15853 |
◊ |
F |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
15638 |
3.9 |
0.0 |
0.506 |
0 |
0 |
0 |
0.000 |
| 137 |
164 |
|
H |
1 |
1 |
15853 |
f |
[EDO]D:507 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
0.2 |
0.0 |
0.781 |
0 |
0 |
0 |
0.000 |
|