| ## |
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 |
|
A |
248 |
65 |
25894 |
◊ |
A |
y+1,x-1,-z |
7_645 |
246 |
65 |
25894 |
2414.7 |
-25.8 |
0.036 |
20 |
4 |
0 |
0.197 |
| 2 |
2 |
|
X |
112 |
15 |
6137 |
◊ |
A |
x,y,z |
1_555 |
118 |
36 |
25894 |
1000.6 |
-1.3 |
0.802 |
12 |
0 |
0 |
0.011 |
| 3 |
3 |
|
[CFZ]X:37 |
19 |
1 |
433 |
cf |
X |
x,y,z |
1_555 |
32 |
3 |
6137 |
230.9 |
2.5 |
0.659 |
5 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[UFT]X:26 |
20 |
1 |
429 |
cf |
X |
x,y,z |
1_555 |
32 |
3 |
6137 |
226.9 |
3.0 |
0.653 |
1 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[G88]A:905 |
14 |
1 |
357 |
f |
A |
x,y,z |
1_555 |
38 |
18 |
25894 |
213.7 |
1.4 |
0.472 |
8 |
0 |
0 |
0.035 |
| 6 |
6 |
|
X |
18 |
6 |
6137 |
◊ |
A |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
22 |
9 |
25894 |
163.3 |
-0.7 |
0.574 |
0 |
0 |
0 |
0.011 |
| 7 |
7 |
|
[UFT]X:35 |
18 |
1 |
430 |
cf |
X |
x,y,z |
1_555 |
21 |
3 |
6137 |
160.9 |
3.0 |
0.674 |
2 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[CFZ]X:15 |
15 |
1 |
430 |
cf |
X |
x,y,z |
1_555 |
22 |
3 |
6137 |
153.6 |
2.1 |
0.606 |
3 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[NAG]A:914 |
12 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
26 |
8 |
25894 |
151.9 |
4.4 |
0.480 |
1 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[UFT]X:29 |
17 |
1 |
434 |
cf |
X |
x,y,z |
1_555 |
28 |
3 |
6137 |
145.5 |
3.1 |
0.729 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[UFT]X:24 |
14 |
1 |
440 |
cf |
X |
x,y,z |
1_555 |
23 |
4 |
6137 |
143.5 |
2.1 |
0.654 |
2 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[CFZ]X:6 |
15 |
1 |
437 |
cf |
X |
x,y,z |
1_555 |
17 |
2 |
6137 |
142.0 |
0.9 |
0.530 |
5 |
0 |
0 |
0.022 |
| 13 |
13 |
|
[CFZ]X:5 |
14 |
1 |
447 |
cf |
X |
x,y,z |
1_555 |
23 |
2 |
6137 |
141.7 |
1.4 |
0.597 |
1 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[NAG]A:906 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
18 |
6 |
25894 |
141.0 |
4.2 |
0.488 |
0 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[UFT]X:33 |
15 |
1 |
425 |
cf |
X |
x,y,z |
1_555 |
21 |
3 |
6137 |
139.0 |
2.0 |
0.673 |
1 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[MPD]A:926 |
7 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
25894 |
138.7 |
-8.3 |
0.667 |
0 |
0 |
0 |
0.137 |
| 17 |
17 |
|
[MPD]A:925 |
7 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
25894 |
134.3 |
-8.4 |
0.625 |
3 |
0 |
0 |
0.160 |
| 18 |
18 |
|
[NAG]A:909 |
10 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
17 |
8 |
25894 |
133.2 |
3.7 |
0.483 |
0 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[NAG]A:916 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
19 |
8 |
25894 |
132.6 |
3.6 |
0.438 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[UFT]X:39 |
13 |
1 |
426 |
cf |
X |
x,y,z |
1_555 |
22 |
2 |
6137 |
132.1 |
1.0 |
0.567 |
1 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[CFZ]X:28 |
17 |
1 |
456 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
25894 |
131.8 |
2.3 |
0.607 |
4 |
0 |
0 |
0.000 |
| 22 |
22 |
|
[CFZ]X:23 |
16 |
1 |
445 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
25894 |
129.9 |
-0.3 |
0.356 |
1 |
0 |
0 |
0.001 |
| 23 |
23 |
|
[UFT]X:17 |
16 |
1 |
438 |
cf |
X |
x,y,z |
1_555 |
19 |
3 |
6137 |
129.9 |
2.7 |
0.687 |
2 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[UFT]X:33 |
11 |
1 |
425 |
◊ |
A |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
21 |
7 |
25894 |
128.8 |
0.8 |
0.609 |
1 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[NAG]A:911 |
12 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
17 |
5 |
25894 |
127.1 |
4.5 |
0.462 |
1 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[NAG]A:920 |
10 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
20 |
7 |
25894 |
120.8 |
3.9 |
0.510 |
1 |
0 |
0 |
0.000 |
| 27 |
27 |
|
A |
10 |
5 |
25894 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
10 |
5 |
25894 |
119.5 |
3.6 |
0.973 |
2 |
4 |
0 |
0.000 |
| 28 |
28 |
|
[CFZ]X:6 |
15 |
1 |
437 |
cf |
[CFZ]X:5 |
x,y,z |
1_555 |
16 |
1 |
447 |
116.4 |
2.5 |
0.484 |
0 |
0 |
0 |
0.000 |
29 |
|
[CFZ]X:43 |
14 |
1 |
437 |
cf |
[CFZ]X:42 |
x,y,z |
1_555 |
15 |
1 |
438 |
111.9 |
2.1 |
0.488 |
0 |
0 |
0 |
0.000 |
| Average: |
114.2 |
2.3 |
0.486 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[UFT]X:39 |
13 |
1 |
426 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
25894 |
115.5 |
2.4 |
0.638 |
2 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[UFT]X:40 |
14 |
1 |
423 |
cf |
[CFZ]X:41 |
x,y,z |
1_555 |
14 |
1 |
438 |
113.1 |
2.3 |
0.504 |
1 |
0 |
0 |
0.000 |
32 |
|
[UFT]X:33 |
16 |
1 |
425 |
cf |
[CFZ]X:34 |
x,y,z |
1_555 |
14 |
1 |
434 |
105.7 |
2.2 |
0.532 |
1 |
0 |
0 |
0.000 |
| Average: |
109.4 |
2.2 |
0.518 |
1 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[CFZ]X:42 |
14 |
1 |
438 |
cf |
[CFZ]X:41 |
x,y,z |
1_555 |
14 |
1 |
438 |
111.2 |
2.4 |
0.506 |
0 |
0 |
0 |
0.000 |
34 |
|
[CFZ]X:16 |
15 |
1 |
437 |
cf |
[CFZ]X:15 |
x,y,z |
1_555 |
13 |
1 |
430 |
108.1 |
2.7 |
0.499 |
0 |
0 |
0 |
0.000 |
| Average: |
109.7 |
2.5 |
0.502 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[UFT]X:40 |
13 |
1 |
423 |
cf |
[UFT]X:39 |
x,y,z |
1_555 |
14 |
1 |
426 |
110.3 |
2.3 |
0.530 |
0 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[CFZ]X:20 |
13 |
1 |
454 |
◊ |
A |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
11 |
4 |
25894 |
108.5 |
-1.3 |
0.172 |
0 |
0 |
0 |
0.021 |
| 34 |
37 |
|
[UFT]X:35 |
14 |
1 |
430 |
cf |
[CFZ]X:34 |
x,y,z |
1_555 |
13 |
1 |
434 |
108.0 |
2.3 |
0.522 |
1 |
0 |
0 |
0.000 |
38 |
|
[UFT]X:17 |
14 |
1 |
438 |
cf |
[CFZ]X:16 |
x,y,z |
1_555 |
15 |
1 |
437 |
107.9 |
1.7 |
0.474 |
1 |
0 |
0 |
0.000 |
| Average: |
108.0 |
2.0 |
0.498 |
1 |
0 |
0 |
0.000 |
| 35 |
39 |
|
[CFZ]X:28 |
14 |
1 |
456 |
cf |
X |
x,y,z |
1_555 |
11 |
2 |
6137 |
105.9 |
1.7 |
0.595 |
2 |
0 |
0 |
0.000 |
| 36 |
40 |
|
[CFZ]X:34 |
10 |
1 |
434 |
◊ |
A |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
12 |
4 |
25894 |
105.0 |
0.8 |
0.584 |
2 |
0 |
0 |
0.000 |
| 37 |
41 |
|
[MPD]A:927 |
6 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
15 |
3 |
25894 |
98.5 |
-5.6 |
0.778 |
1 |
0 |
0 |
0.101 |
| 38 |
42 |
|
[CFZ]X:43 |
14 |
1 |
437 |
◊ |
X |
-y+1,-x+1,-z+1/2 |
8_665 |
12 |
1 |
6137 |
92.9 |
2.8 |
0.656 |
0 |
0 |
0 |
0.000 |
| 39 |
43 |
|
[CFZ]X:16 |
10 |
1 |
437 |
◊ |
A |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
15 |
4 |
25894 |
92.7 |
0.5 |
0.436 |
2 |
0 |
0 |
0.006 |
| 40 |
44 |
|
[UFT]X:22 |
9 |
1 |
431 |
f |
X |
x,y,z |
1_555 |
18 |
2 |
6137 |
92.0 |
1.7 |
0.648 |
0 |
0 |
0 |
0.000 |
| 41 |
45 |
|
[CFZ]X:6 |
13 |
1 |
437 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
25894 |
89.6 |
1.5 |
0.505 |
3 |
0 |
0 |
0.000 |
| 42 |
46 |
|
[UFT]X:24 |
15 |
1 |
440 |
cf |
[CFZ]X:23 |
x,y,z |
1_555 |
15 |
1 |
445 |
89.2 |
2.0 |
0.518 |
0 |
0 |
0 |
0.000 |
| 43 |
47 |
|
[UFT]X:21 |
13 |
1 |
427 |
f |
X |
x,y,z |
1_555 |
14 |
2 |
6137 |
88.2 |
2.6 |
0.700 |
2 |
0 |
0 |
0.000 |
| 44 |
48 |
|
[CFZ]X:42 |
10 |
1 |
438 |
f |
X |
x,y,z |
1_555 |
11 |
3 |
6137 |
88.2 |
1.0 |
0.566 |
3 |
0 |
0 |
0.006 |
| 45 |
49 |
|
[UFT]X:29 |
12 |
1 |
434 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
25894 |
87.2 |
0.4 |
0.428 |
0 |
0 |
0 |
0.000 |
| 46 |
50 |
|
X |
13 |
1 |
6137 |
◊ |
X |
-y+1,-x+1,-z+1/2 |
8_665 |
13 |
1 |
6137 |
86.0 |
1.8 |
0.743 |
0 |
0 |
0 |
0.000 |
| 47 |
51 |
|
[UFT]X:22 |
15 |
1 |
431 |
cf |
[CFZ]X:23 |
x,y,z |
1_555 |
14 |
1 |
445 |
85.8 |
1.4 |
0.492 |
0 |
0 |
0 |
0.000 |
| 48 |
52 |
|
[CFZ]X:43 |
10 |
1 |
437 |
f |
X |
x,y,z |
1_555 |
10 |
2 |
6137 |
85.5 |
1.0 |
0.557 |
4 |
0 |
0 |
0.013 |
| 49 |
53 |
|
[UFT]X:22 |
9 |
1 |
431 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
25894 |
80.8 |
1.0 |
0.502 |
2 |
0 |
0 |
0.000 |
| 50 |
54 |
|
[MPD]X:103 |
6 |
1 |
281 |
f |
X |
x,y,z |
1_555 |
12 |
3 |
6137 |
80.7 |
-5.5 |
0.652 |
3 |
0 |
0 |
0.113 |
| 51 |
55 |
|
[NAG]A:923 |
10 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
25894 |
80.6 |
2.5 |
0.367 |
0 |
0 |
0 |
0.000 |
| 52 |
56 |
|
[CFZ]X:34 |
9 |
1 |
434 |
f |
X |
x,y,z |
1_555 |
9 |
3 |
6137 |
78.4 |
1.4 |
0.595 |
3 |
0 |
0 |
0.000 |
| 53 |
57 |
|
[MPD]A:926 |
4 |
1 |
276 |
◊ |
A |
y+1,x-1,-z |
7_645 |
14 |
5 |
25894 |
77.0 |
-4.2 |
0.777 |
0 |
0 |
0 |
0.047 |
| 54 |
58 |
|
[CFZ]X:41 |
9 |
1 |
438 |
f |
X |
x,y,z |
1_555 |
9 |
3 |
6137 |
76.9 |
0.9 |
0.554 |
4 |
0 |
0 |
0.014 |
| 55 |
59 |
|
[NAG]A:921 |
8 |
1 |
364 |
cf |
[NAG]A:920 |
x,y,z |
1_555 |
7 |
1 |
359 |
74.7 |
1.9 |
0.117 |
0 |
0 |
0 |
0.000 |
| 56 |
60 |
|
[CFZ]X:20 |
9 |
1 |
454 |
◊ |
[MPD]A:925 |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
5 |
1 |
280 |
74.4 |
-4.6 |
0.539 |
0 |
0 |
0 |
0.076 |
| 57 |
61 |
|
[UFT]X:17 |
8 |
1 |
438 |
◊ |
A |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
8 |
4 |
25894 |
74.1 |
0.8 |
0.606 |
0 |
0 |
0 |
0.000 |
| 58 |
62 |
|
[ACT]A:928 |
4 |
1 |
183 |
◊ |
A |
y+1,x-1,-z |
7_645 |
11 |
5 |
25894 |
73.5 |
0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
| 59 |
63 |
|
[CFZ]X:16 |
10 |
1 |
437 |
f |
X |
x,y,z |
1_555 |
11 |
3 |
6137 |
73.2 |
1.9 |
0.618 |
2 |
0 |
0 |
0.000 |
| 60 |
64 |
|
[NAG]A:910 |
10 |
1 |
364 |
cf |
[NAG]A:909 |
x,y,z |
1_555 |
7 |
1 |
358 |
72.7 |
1.6 |
0.080 |
0 |
0 |
0 |
0.000 |
| 61 |
65 |
|
[UFT]X:40 |
11 |
1 |
423 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
25894 |
71.9 |
1.1 |
0.621 |
0 |
0 |
0 |
0.000 |
| 62 |
66 |
|
[UFT]X:22 |
10 |
1 |
431 |
cf |
[UFT]X:21 |
x,y,z |
1_555 |
11 |
1 |
427 |
71.7 |
0.8 |
0.490 |
0 |
0 |
0 |
0.000 |
| 63 |
67 |
|
[CL]A:903 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
25894 |
70.7 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.179 |
| 64 |
68 |
|
[UFT]X:21 |
11 |
1 |
427 |
f |
[CFZ]X:23 |
x,y,z |
1_555 |
12 |
1 |
445 |
70.6 |
0.7 |
0.392 |
0 |
0 |
0 |
0.000 |
| 65 |
69 |
|
[NAG]A:924 |
9 |
1 |
363 |
cf |
[NAG]A:923 |
x,y,z |
1_555 |
6 |
1 |
363 |
70.3 |
1.7 |
0.095 |
0 |
0 |
0 |
0.000 |
| 66 |
70 |
|
[NAG]A:917 |
9 |
1 |
360 |
cf |
[NAG]A:916 |
x,y,z |
1_555 |
6 |
1 |
361 |
69.7 |
1.3 |
0.090 |
0 |
0 |
0 |
0.000 |
| 67 |
71 |
|
[CFZ]X:5 |
7 |
1 |
447 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
25894 |
68.8 |
0.8 |
0.481 |
2 |
0 |
0 |
0.000 |
| 68 |
72 |
|
[NAG]A:912 |
9 |
1 |
362 |
cf |
[NAG]A:911 |
x,y,z |
1_555 |
7 |
1 |
365 |
68.7 |
1.4 |
0.087 |
0 |
0 |
0 |
0.000 |
| 69 |
73 |
|
[CFZ]X:43 |
7 |
1 |
437 |
◊ |
A |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
10 |
3 |
25894 |
68.6 |
1.0 |
0.592 |
1 |
0 |
0 |
0.000 |
| 70 |
74 |
|
[NAG]A:907 |
9 |
1 |
365 |
cf |
[NAG]A:906 |
x,y,z |
1_555 |
7 |
1 |
361 |
68.4 |
1.7 |
0.087 |
0 |
0 |
0 |
0.000 |
| 71 |
75 |
|
[NAG]A:915 |
9 |
1 |
364 |
cf |
[NAG]A:914 |
x,y,z |
1_555 |
6 |
1 |
362 |
66.7 |
1.7 |
0.099 |
0 |
0 |
0 |
0.000 |
| 72 |
76 |
|
[BMA]A:922 |
8 |
1 |
288 |
◊ |
A |
y+1,x-1,-z |
7_645 |
8 |
3 |
25894 |
66.0 |
1.8 |
0.378 |
0 |
0 |
0 |
0.000 |
| 73 |
77 |
|
[UFT]X:26 |
13 |
1 |
429 |
f |
[UFT]X:24 |
x,y,z |
1_555 |
11 |
1 |
440 |
64.1 |
2.2 |
0.542 |
1 |
0 |
0 |
0.000 |
| 74 |
78 |
|
[NAG]A:907 |
4 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
25894 |
62.7 |
1.6 |
0.464 |
0 |
0 |
0 |
0.000 |
| 75 |
79 |
|
[BMA]A:913 |
5 |
1 |
294 |
cf |
[NAG]A:912 |
x,y,z |
1_555 |
6 |
1 |
362 |
61.8 |
1.6 |
0.171 |
0 |
0 |
0 |
0.000 |
| 76 |
80 |
|
[BMA]A:918 |
7 |
1 |
294 |
cf |
[NAG]A:917 |
x,y,z |
1_555 |
6 |
1 |
360 |
61.7 |
1.1 |
0.102 |
1 |
0 |
0 |
0.000 |
| 77 |
81 |
|
[CFZ]X:15 |
7 |
1 |
430 |
◊ |
A |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
11 |
2 |
25894 |
61.0 |
0.8 |
0.481 |
0 |
0 |
0 |
0.000 |
| 78 |
82 |
|
[MPD]X:102 |
3 |
1 |
277 |
◊ |
X |
x,y,z |
1_555 |
7 |
3 |
6137 |
60.0 |
-2.6 |
0.831 |
0 |
0 |
0 |
0.043 |
| 79 |
83 |
|
[BMA]A:922 |
5 |
1 |
288 |
cf |
[NAG]A:921 |
x,y,z |
1_555 |
5 |
1 |
364 |
60.0 |
1.0 |
0.152 |
0 |
0 |
0 |
0.000 |
| 80 |
84 |
|
[CFZ]X:20 |
6 |
1 |
454 |
cf |
X |
x,y,z |
1_555 |
8 |
1 |
6137 |
59.6 |
-0.3 |
0.460 |
0 |
0 |
0 |
0.005 |
| 81 |
85 |
|
[UFT]X:21 |
4 |
1 |
427 |
cf |
[CFZ]X:20 |
x,y,z |
1_555 |
8 |
1 |
454 |
59.4 |
0.3 |
0.450 |
0 |
0 |
0 |
0.000 |
| 82 |
86 |
|
[BMA]A:908 |
7 |
1 |
292 |
cf |
[NAG]A:907 |
x,y,z |
1_555 |
5 |
1 |
365 |
59.3 |
1.1 |
0.101 |
1 |
0 |
0 |
0.000 |
| 83 |
87 |
|
[UFT]X:29 |
9 |
1 |
434 |
f |
[UFT]X:17 |
x,y,z |
1_555 |
9 |
1 |
438 |
58.4 |
0.7 |
0.478 |
0 |
0 |
0 |
0.000 |
| 84 |
88 |
|
[NAG]A:921 |
4 |
1 |
364 |
◊ |
A |
y+1,x-1,-z |
7_645 |
8 |
3 |
25894 |
57.7 |
-0.1 |
0.276 |
0 |
0 |
0 |
0.001 |
| 85 |
89 |
|
[UFT]X:29 |
8 |
1 |
434 |
cf |
[CFZ]X:28 |
x,y,z |
1_555 |
8 |
1 |
456 |
57.7 |
0.8 |
0.478 |
0 |
0 |
0 |
0.000 |
| 86 |
90 |
|
[MAN]A:919 |
4 |
1 |
292 |
cf |
[BMA]A:918 |
x,y,z |
1_555 |
4 |
1 |
294 |
57.1 |
2.6 |
0.410 |
0 |
0 |
0 |
0.000 |
| 87 |
91 |
|
[NAG]A:917 |
8 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
25894 |
55.6 |
1.3 |
0.269 |
1 |
0 |
0 |
0.000 |
| 88 |
92 |
|
[UFT]X:24 |
8 |
1 |
440 |
f |
[UFT]X:21 |
x,y,z |
1_555 |
7 |
1 |
427 |
54.7 |
0.3 |
0.444 |
1 |
0 |
0 |
0.002 |
| 89 |
93 |
|
[UFT]X:40 |
5 |
1 |
423 |
f |
X |
x,y,z |
1_555 |
5 |
2 |
6137 |
53.1 |
0.4 |
0.504 |
1 |
0 |
0 |
0.000 |
| 90 |
94 |
|
[UFT]X:24 |
6 |
1 |
440 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
25894 |
52.8 |
-0.1 |
0.487 |
1 |
0 |
0 |
0.001 |
| 91 |
95 |
|
[MPD]X:101 |
3 |
1 |
278 |
f |
X |
x,y,z |
1_555 |
8 |
2 |
6137 |
52.0 |
-4.2 |
0.584 |
1 |
0 |
0 |
0.076 |
| 92 |
96 |
|
[UFT]X:17 |
5 |
1 |
438 |
f |
[MPD]X:101 |
x,y,z |
1_555 |
4 |
1 |
278 |
51.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.050 |
| 93 |
97 |
|
[NAG]A:912 |
4 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
25894 |
51.2 |
1.4 |
0.590 |
0 |
0 |
0 |
0.000 |
| 94 |
98 |
|
[BMA]A:918 |
6 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
25894 |
49.9 |
1.6 |
0.402 |
0 |
0 |
0 |
0.000 |
| 95 |
99 |
|
[UFT]X:22 |
4 |
1 |
431 |
◊ |
[MPD]X:102 |
x,y,z |
1_555 |
5 |
1 |
277 |
49.6 |
-2.8 |
0.605 |
0 |
0 |
0 |
0.046 |
| 96 |
100 |
|
[UFT]X:26 |
5 |
1 |
429 |
◊ |
[MPD]A:927 |
x,y,z |
1_555 |
5 |
1 |
279 |
49.0 |
-1.9 |
0.694 |
0 |
0 |
0 |
0.003 |
| 97 |
101 |
|
[CFZ]X:28 |
10 |
1 |
456 |
◊ |
[MPD]A:927 |
x,y,z |
1_555 |
4 |
1 |
279 |
48.0 |
-1.7 |
0.708 |
0 |
0 |
0 |
0.003 |
| 98 |
102 |
|
[UFT]X:21 |
5 |
1 |
427 |
◊ |
[MPD]X:102 |
x,y,z |
1_555 |
4 |
1 |
277 |
47.8 |
-2.4 |
0.664 |
1 |
0 |
0 |
0.047 |
| 99 |
103 |
|
[MPD]A:927 |
5 |
1 |
279 |
◊ |
X |
x,y,z |
1_555 |
4 |
1 |
6137 |
47.8 |
-2.1 |
0.000 |
1 |
0 |
0 |
0.004 |
| 100 |
104 |
|
[MPD]X:102 |
4 |
1 |
277 |
f |
A |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
9 |
3 |
25894 |
45.8 |
-3.1 |
0.639 |
0 |
0 |
0 |
0.051 |
| 101 |
105 |
|
[CFZ]X:23 |
6 |
1 |
445 |
f |
X |
x,y,z |
1_555 |
8 |
2 |
6137 |
44.0 |
0.2 |
0.503 |
2 |
0 |
0 |
0.012 |
| 102 |
106 |
|
[CFZ]X:16 |
8 |
1 |
437 |
f |
[MPD]X:101 |
x,y,z |
1_555 |
2 |
1 |
278 |
38.7 |
-2.1 |
0.598 |
0 |
0 |
0 |
0.034 |
| 103 |
107 |
|
[NAG]A:920 |
4 |
1 |
359 |
◊ |
A |
y+1,x-1,-z |
7_645 |
4 |
1 |
25894 |
37.2 |
0.7 |
0.309 |
0 |
0 |
0 |
0.000 |
| 104 |
108 |
|
[ACT]A:928 |
1 |
1 |
183 |
◊ |
[MPD]A:926 |
y+1,x-1,-z |
7_645 |
5 |
1 |
276 |
37.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.024 |
| 105 |
109 |
|
[UFT]X:29 |
5 |
1 |
434 |
f |
[UFT]X:22 |
x,y,z |
1_555 |
4 |
1 |
431 |
34.4 |
0.1 |
0.462 |
2 |
0 |
0 |
0.013 |
| 106 |
110 |
|
[ACT]A:928 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
25894 |
34.3 |
0.2 |
0.785 |
0 |
0 |
0 |
0.000 |
| 107 |
111 |
|
[ZN]A:902 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
25894 |
34.1 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.417 |
| 108 |
112 |
|
[ZN]A:901 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
11 |
6 |
25894 |
33.3 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.396 |
| 109 |
113 |
|
[UFT]X:24 |
4 |
1 |
440 |
f |
[CFZ]X:28 |
x,y,z |
1_555 |
2 |
1 |
456 |
32.8 |
0.6 |
0.449 |
2 |
0 |
0 |
0.005 |
| 110 |
114 |
|
[UFT]X:33 |
5 |
1 |
425 |
f |
[CFZ]X:15 |
x,y,z |
1_555 |
5 |
1 |
430 |
32.3 |
0.7 |
0.480 |
0 |
0 |
0 |
0.000 |
| 111 |
115 |
|
[UFT]X:39 |
3 |
1 |
426 |
f |
[CFZ]X:5 |
x,y,z |
1_555 |
2 |
1 |
447 |
31.3 |
-0.3 |
0.337 |
1 |
0 |
0 |
0.012 |
| 112 |
116 |
|
[UFT]X:21 |
3 |
1 |
427 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
25894 |
31.3 |
0.2 |
0.558 |
1 |
0 |
0 |
0.000 |
| 113 |
117 |
|
[CFZ]X:28 |
5 |
1 |
456 |
f |
[MPD]X:101 |
x,y,z |
1_555 |
3 |
1 |
278 |
30.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.031 |
| 114 |
118 |
|
[MPD]X:103 |
2 |
1 |
281 |
◊ |
A |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
4 |
2 |
25894 |
30.7 |
-0.6 |
0.960 |
0 |
0 |
0 |
0.010 |
| 115 |
119 |
|
[G88]A:905 |
5 |
1 |
357 |
f |
[ZN]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.9 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.192 |
| 116 |
120 |
|
[UFT]X:26 |
3 |
1 |
429 |
f |
[CFZ]X:28 |
x,y,z |
1_555 |
5 |
1 |
456 |
26.5 |
0.9 |
0.512 |
0 |
0 |
0 |
0.000 |
| 117 |
121 |
|
[UFT]X:29 |
3 |
1 |
434 |
f |
[MPD]X:101 |
x,y,z |
1_555 |
4 |
1 |
278 |
25.1 |
-2.1 |
0.000 |
1 |
0 |
0 |
0.041 |
| 118 |
122 |
|
[G88]A:905 |
3 |
1 |
357 |
f |
[ZN]A:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.4 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.151 |
| 119 |
123 |
|
[UFT]X:26 |
3 |
1 |
429 |
f |
[MPD]X:103 |
x,y,z |
1_555 |
2 |
1 |
281 |
23.3 |
-1.2 |
0.635 |
0 |
0 |
0 |
0.020 |
| 120 |
124 |
|
[UFT]X:29 |
5 |
1 |
434 |
f |
[CFZ]X:23 |
x,y,z |
1_555 |
6 |
1 |
445 |
20.2 |
0.7 |
0.493 |
0 |
0 |
0 |
0.000 |
| 121 |
125 |
|
[MAN]A:919 |
3 |
1 |
292 |
f |
[NAG]A:917 |
x,y,z |
1_555 |
3 |
1 |
360 |
18.3 |
0.3 |
0.265 |
0 |
0 |
0 |
0.000 |
| 122 |
126 |
|
[CFZ]X:6 |
2 |
1 |
437 |
f |
[CFZ]X:37 |
x,y,z |
1_555 |
2 |
1 |
433 |
18.0 |
0.0 |
0.312 |
0 |
0 |
0 |
0.000 |
| 123 |
127 |
|
[UFT]X:40 |
5 |
1 |
423 |
f |
[CFZ]X:5 |
x,y,z |
1_555 |
4 |
1 |
447 |
17.3 |
0.3 |
0.424 |
0 |
0 |
0 |
0.000 |
| 124 |
128 |
|
[CFZ]X:28 |
3 |
1 |
456 |
f |
[CFZ]X:23 |
x,y,z |
1_555 |
3 |
1 |
445 |
15.7 |
0.2 |
0.392 |
0 |
0 |
0 |
0.000 |
| 125 |
129 |
|
[UFT]X:24 |
1 |
1 |
440 |
◊ |
[MPD]A:927 |
x,y,z |
1_555 |
1 |
1 |
279 |
15.0 |
-0.6 |
0.717 |
0 |
0 |
0 |
0.000 |
| 126 |
130 |
|
[MAN]A:919 |
3 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
25894 |
14.4 |
0.6 |
0.501 |
0 |
0 |
0 |
0.000 |
| 127 |
131 |
|
[NAG]A:924 |
4 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
25894 |
12.1 |
0.5 |
0.388 |
0 |
0 |
0 |
0.000 |
| 128 |
132 |
|
[UFT]X:35 |
2 |
1 |
430 |
◊ |
A |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
1 |
1 |
25894 |
11.5 |
0.4 |
0.628 |
0 |
0 |
0 |
0.000 |
| 129 |
133 |
|
[ZN]A:902 |
1 |
1 |
98 |
f |
[ZN]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.140 |
| 130 |
134 |
|
X |
2 |
1 |
6137 |
◊ |
[MPD]A:925 |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
2 |
1 |
280 |
9.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
| 131 |
135 |
|
[CFZ]X:20 |
2 |
1 |
454 |
◊ |
[MPD]X:102 |
x,y,z |
1_555 |
2 |
1 |
277 |
8.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
| 132 |
136 |
|
[CFZ]X:37 |
1 |
1 |
433 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
25894 |
7.7 |
0.2 |
0.512 |
0 |
0 |
0 |
0.000 |
| 133 |
137 |
|
[NAG]A:910 |
2 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
25894 |
5.7 |
0.2 |
0.360 |
0 |
0 |
0 |
0.000 |
| 134 |
138 |
|
[CFZ]X:42 |
2 |
1 |
438 |
◊ |
A |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
2 |
1 |
25894 |
4.2 |
0.1 |
0.471 |
0 |
0 |
0 |
0.000 |
| 135 |
139 |
|
[NAG]A:915 |
1 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
25894 |
4.0 |
-0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
| 136 |
140 |
|
[UFT]X:39 |
1 |
1 |
426 |
f |
[CFZ]X:6 |
x,y,z |
1_555 |
2 |
1 |
437 |
3.7 |
-0.1 |
0.277 |
0 |
0 |
0 |
0.001 |
| 137 |
141 |
|
[UFT]X:29 |
1 |
1 |
434 |
f |
[CFZ]X:16 |
x,y,z |
1_555 |
1 |
1 |
437 |
0.7 |
0.0 |
0.350 |
0 |
0 |
0 |
0.000 |
| 138 |
142 |
|
[UFT]X:22 |
1 |
1 |
431 |
f |
[UFT]X:17 |
x,y,z |
1_555 |
1 |
1 |
438 |
0.7 |
-0.0 |
0.332 |
0 |
0 |
0 |
0.000 |
| 139 |
143 |
|
[UFT]X:17 |
1 |
1 |
438 |
◊ |
[MPD]X:102 |
x,y,z |
1_555 |
1 |
1 |
277 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|