| ## |
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 |
365 |
76 |
212963 |
◊ |
L |
x,y,z |
1_555 |
299 |
74 |
9624 |
3082.1 |
-65.3 |
0.703 |
61 |
0 |
0 |
0.030 |
| 2 |
2 |
|
A |
373 |
64 |
212963 |
◊ |
D |
x,y,z |
1_555 |
319 |
80 |
12266 |
3066.0 |
-51.0 |
0.796 |
73 |
0 |
0 |
0.028 |
| 3 |
3 |
|
A |
341 |
63 |
212963 |
◊ |
I |
x,y,z |
1_555 |
267 |
61 |
8541 |
2931.6 |
-54.9 |
0.714 |
64 |
0 |
0 |
0.028 |
| 4 |
4 |
|
A |
300 |
58 |
212963 |
◊ |
T |
x,y,z |
1_555 |
248 |
62 |
7263 |
2605.7 |
-55.3 |
0.525 |
51 |
0 |
0 |
0.027 |
| 5 |
5 |
|
A |
299 |
52 |
212963 |
◊ |
P |
x,y,z |
1_555 |
251 |
56 |
5699 |
2550.7 |
-41.8 |
0.731 |
37 |
0 |
0 |
0.020 |
| 6 |
6 |
|
A |
275 |
46 |
212963 |
◊ |
M |
x,y,z |
1_555 |
214 |
55 |
9717 |
2298.2 |
-48.9 |
0.577 |
51 |
0 |
0 |
0.025 |
| 7 |
7 |
|
A |
245 |
43 |
212963 |
◊ |
E |
x,y,z |
1_555 |
192 |
56 |
8762 |
1996.1 |
-38.0 |
0.571 |
34 |
0 |
0 |
0.019 |
| 8 |
8 |
|
A |
237 |
40 |
212963 |
◊ |
G |
x,y,z |
1_555 |
182 |
49 |
10659 |
1936.5 |
-22.4 |
0.897 |
38 |
0 |
0 |
0.014 |
| 9 |
9 |
|
A |
238 |
47 |
212963 |
◊ |
H |
x,y,z |
1_555 |
207 |
53 |
8513 |
1926.1 |
-30.7 |
0.452 |
33 |
0 |
0 |
0.016 |
| 10 |
10 |
|
A |
239 |
44 |
212963 |
◊ |
J |
x,y,z |
1_555 |
187 |
45 |
7473 |
1859.0 |
-30.2 |
0.825 |
25 |
0 |
0 |
0.015 |
| 11 |
11 |
|
A |
256 |
48 |
212963 |
◊ |
N |
x,y,z |
1_555 |
160 |
37 |
5759 |
1834.1 |
-34.7 |
0.745 |
43 |
0 |
0 |
0.019 |
| 12 |
12 |
|
A |
209 |
40 |
212963 |
◊ |
O |
x,y,z |
1_555 |
184 |
45 |
6695 |
1815.0 |
-33.7 |
0.614 |
30 |
0 |
0 |
0.017 |
| 13 |
13 |
|
A |
216 |
39 |
212963 |
◊ |
K |
x,y,z |
1_555 |
171 |
43 |
7407 |
1772.8 |
-31.8 |
0.751 |
26 |
0 |
0 |
0.016 |
| 14 |
14 |
|
A |
197 |
35 |
212963 |
◊ |
C |
x,y,z |
1_555 |
162 |
44 |
12449 |
1692.7 |
-35.3 |
0.530 |
22 |
0 |
0 |
0.016 |
| 15 |
15 |
|
A |
200 |
38 |
212963 |
◊ |
S |
x,y,z |
1_555 |
162 |
28 |
5981 |
1510.4 |
-18.5 |
0.837 |
19 |
0 |
0 |
0.010 |
| 16 |
16 |
|
A |
157 |
34 |
212963 |
◊ |
U |
x,y,z |
1_555 |
121 |
23 |
2611 |
1339.5 |
-26.3 |
0.475 |
26 |
0 |
0 |
0.014 |
| 17 |
17 |
|
A |
158 |
27 |
212963 |
x |
A |
-y-1/2,x-1/2,z+1/4 |
2_445 |
155 |
30 |
212963 |
1204.6 |
-34.8 |
0.916 |
10 |
0 |
0 |
0.000 |
| 18 |
18 |
|
R |
110 |
27 |
5677 |
◊ |
F |
x,y,z |
1_555 |
100 |
24 |
7116 |
1008.6 |
-7.4 |
0.126 |
13 |
3 |
0 |
0.005 |
| 19 |
19 |
|
A |
113 |
24 |
212963 |
◊ |
B |
x,y,z |
1_555 |
91 |
31 |
13091 |
1007.5 |
-9.7 |
0.900 |
17 |
0 |
0 |
0.006 |
| 20 |
20 |
|
N |
90 |
20 |
5759 |
◊ |
C |
x,y,z |
1_555 |
103 |
25 |
12449 |
866.8 |
-9.8 |
0.167 |
7 |
0 |
0 |
0.005 |
| 21 |
21 |
|
A |
94 |
19 |
212963 |
◊ |
R |
x,y,z |
1_555 |
82 |
21 |
5677 |
853.0 |
-21.5 |
0.365 |
17 |
0 |
0 |
0.011 |
| 22 |
22 |
|
N |
90 |
18 |
5759 |
◊ |
J |
x,y,z |
1_555 |
95 |
20 |
7473 |
794.8 |
-8.6 |
0.293 |
7 |
1 |
0 |
0.004 |
| 23 |
23 |
|
H |
67 |
22 |
8513 |
◊ |
E |
x,y,z |
1_555 |
67 |
16 |
8762 |
610.6 |
-1.6 |
0.445 |
3 |
3 |
0 |
0.001 |
| 24 |
24 |
|
A |
70 |
14 |
212963 |
◊ |
F |
x,y,z |
1_555 |
62 |
20 |
7116 |
564.4 |
-9.0 |
0.707 |
13 |
0 |
0 |
0.005 |
| 25 |
25 |
|
J |
47 |
12 |
7473 |
◊ |
J |
-y,-x,-z-1/2 |
8_554 |
45 |
12 |
7473 |
413.5 |
-4.5 |
0.348 |
5 |
0 |
0 |
0.000 |
| 26 |
26 |
|
S |
45 |
12 |
5981 |
◊ |
M |
x,y,z |
1_555 |
41 |
11 |
9717 |
386.0 |
-4.1 |
0.316 |
3 |
0 |
0 |
0.000 |
| 27 |
27 |
|
E |
42 |
16 |
8762 |
◊ |
D |
x,y,z |
1_555 |
38 |
11 |
12266 |
378.5 |
0.4 |
0.515 |
3 |
2 |
0 |
0.000 |
| 28 |
28 |
|
M |
45 |
14 |
9717 |
◊ |
A |
-y-1/2,x-1/2,z+1/4 |
2_445 |
49 |
11 |
212963 |
374.4 |
-10.1 |
0.448 |
7 |
0 |
0 |
0.000 |
| 29 |
29 |
|
J |
41 |
13 |
7473 |
◊ |
C |
x,y,z |
1_555 |
47 |
11 |
12449 |
369.6 |
-4.4 |
0.250 |
1 |
0 |
0 |
0.002 |
| 30 |
30 |
|
[4OC]A:1402 |
22 |
1 |
496 |
cf |
A |
x,y,z |
1_555 |
56 |
12 |
212963 |
345.8 |
3.1 |
0.827 |
5 |
0 |
0 |
0.000 |
| 31 |
31 |
|
[UR3]A:1498 |
20 |
1 |
450 |
cf |
A |
x,y,z |
1_555 |
47 |
10 |
212963 |
327.7 |
-1.3 |
0.761 |
3 |
0 |
0 |
0.000 |
| 32 |
32 |
|
[MA6]A:1518 |
24 |
1 |
514 |
cf |
A |
x,y,z |
1_555 |
51 |
8 |
212963 |
308.3 |
3.3 |
0.651 |
2 |
0 |
0 |
0.000 |
| 33 |
33 |
|
[2MG]A:1207 |
24 |
1 |
513 |
cf |
A |
x,y,z |
1_555 |
53 |
6 |
212963 |
306.3 |
2.4 |
0.907 |
4 |
0 |
0 |
0.000 |
| 34 |
34 |
|
[MA6]A:1519 |
23 |
1 |
516 |
cf |
A |
x,y,z |
1_555 |
51 |
9 |
212963 |
303.9 |
2.9 |
0.642 |
2 |
0 |
0 |
0.000 |
| 35 |
35 |
|
R |
34 |
8 |
5677 |
◊ |
K |
x,y,z |
1_555 |
35 |
13 |
7407 |
302.8 |
-0.4 |
0.553 |
4 |
1 |
0 |
0.000 |
| 36 |
36 |
|
[7MG]A:527 |
23 |
1 |
513 |
cf |
A |
x,y,z |
1_555 |
46 |
9 |
212963 |
283.4 |
2.6 |
0.868 |
4 |
0 |
0 |
0.000 |
| 37 |
37 |
|
[5MC]A:1404 |
21 |
1 |
458 |
cf |
A |
x,y,z |
1_555 |
42 |
5 |
212963 |
278.0 |
1.4 |
0.873 |
4 |
0 |
0 |
0.000 |
| 38 |
38 |
|
[PSU]A:516 |
20 |
1 |
426 |
cf |
A |
x,y,z |
1_555 |
45 |
8 |
212963 |
268.6 |
-0.3 |
0.821 |
2 |
0 |
0 |
0.000 |
| 39 |
39 |
|
H |
26 |
8 |
8513 |
◊ |
B |
x,y,z |
1_555 |
36 |
9 |
13091 |
267.7 |
-0.6 |
0.491 |
3 |
2 |
0 |
0.000 |
| 40 |
40 |
|
F |
30 |
11 |
7116 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
27 |
9 |
13091 |
249.3 |
0.1 |
0.581 |
2 |
0 |
0 |
0.000 |
| 41 |
41 |
|
I |
29 |
12 |
8541 |
◊ |
G |
x,y,z |
1_555 |
33 |
10 |
10659 |
248.4 |
-4.8 |
0.087 |
0 |
0 |
0 |
0.000 |
| 42 |
42 |
|
[5MC]A:1407 |
21 |
1 |
451 |
cf |
A |
x,y,z |
1_555 |
29 |
4 |
212963 |
243.5 |
1.3 |
0.885 |
3 |
0 |
0 |
0.000 |
| 43 |
43 |
|
K |
25 |
6 |
7407 |
◊ |
G |
x,y,z |
1_555 |
27 |
7 |
10659 |
221.0 |
-0.9 |
0.432 |
1 |
0 |
0 |
0.000 |
| 44 |
44 |
|
[PSU]A:1540 |
19 |
1 |
428 |
cf |
A |
x,y,z |
1_555 |
32 |
7 |
212963 |
198.0 |
-3.0 |
0.722 |
2 |
0 |
0 |
0.001 |
| 45 |
45 |
|
[5MC]A:967 |
17 |
1 |
460 |
cf |
A |
x,y,z |
1_555 |
24 |
4 |
212963 |
185.3 |
-1.5 |
0.620 |
1 |
0 |
0 |
0.000 |
| 46 |
46 |
|
C |
18 |
8 |
12449 |
◊ |
C |
-y,-x,-z-1/2 |
8_554 |
19 |
8 |
12449 |
170.3 |
-1.4 |
0.402 |
0 |
0 |
0 |
0.000 |
| 47 |
47 |
|
I |
15 |
3 |
8541 |
◊ |
A |
-y-1/2,x-1/2,z+1/4 |
2_445 |
21 |
5 |
212963 |
169.9 |
-1.9 |
0.663 |
7 |
0 |
0 |
0.000 |
| 48 |
48 |
|
D |
16 |
6 |
12266 |
◊ |
D |
-y,-x,-z-1/2 |
8_554 |
16 |
6 |
12266 |
163.1 |
0.9 |
0.591 |
2 |
6 |
0 |
0.000 |
| 49 |
49 |
|
J |
19 |
6 |
7473 |
◊ |
I |
x,y,z |
1_555 |
19 |
5 |
8541 |
162.4 |
-0.9 |
0.434 |
0 |
0 |
0 |
0.000 |
| 50 |
50 |
|
[5MC]A:1400 |
14 |
1 |
456 |
cf |
A |
x,y,z |
1_555 |
20 |
4 |
212963 |
155.3 |
0.3 |
0.800 |
0 |
0 |
0 |
0.000 |
| 51 |
51 |
|
[PSU]A:1541 |
15 |
1 |
431 |
cf |
A |
x,y,z |
1_555 |
23 |
7 |
212963 |
149.5 |
-4.1 |
0.549 |
0 |
0 |
0 |
0.001 |
| 52 |
52 |
|
[5MC]A:967 |
17 |
1 |
460 |
cf |
[M2G]A:966 |
x,y,z |
1_555 |
20 |
1 |
513 |
143.0 |
-0.2 |
0.627 |
0 |
0 |
0 |
0.000 |
| 53 |
53 |
|
[K]A:1768 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
24 |
6 |
212963 |
137.8 |
-86.9 |
0.000 |
0 |
0 |
0 |
0.032 |
| 54 |
54 |
|
[MA6]A:1519 |
19 |
1 |
516 |
cf |
[MA6]A:1518 |
x,y,z |
1_555 |
18 |
1 |
514 |
137.3 |
3.6 |
0.443 |
0 |
0 |
0 |
0.000 |
| 55 |
55 |
|
[K]A:1760 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
212963 |
135.3 |
-78.5 |
0.000 |
0 |
0 |
0 |
0.059 |
56 |
|
[K]A:1763 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
212963 |
122.8 |
-82.9 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
129.1 |
-80.7 |
0.000 |
0 |
0 |
0 |
0.059 |
| 56 |
57 |
|
A |
16 |
3 |
212963 |
◊ |
F |
-y,-x,-z+1/2 |
8_555 |
19 |
6 |
7116 |
135.1 |
-2.5 |
0.557 |
3 |
0 |
0 |
0.000 |
| 57 |
58 |
|
[K]A:1775 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
212963 |
134.2 |
-91.2 |
0.000 |
0 |
0 |
0 |
0.033 |
| 58 |
59 |
|
[K]A:1766 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
212963 |
132.6 |
-80.9 |
0.000 |
0 |
0 |
0 |
0.030 |
| 59 |
60 |
|
[K]A:1764 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
4 |
212963 |
132.5 |
-74.2 |
0.000 |
0 |
0 |
0 |
0.027 |
| 60 |
61 |
|
[K]A:1780 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
212963 |
128.9 |
-78.5 |
0.000 |
0 |
0 |
0 |
0.029 |
| 61 |
62 |
|
[K]A:1756 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
212963 |
127.9 |
-79.0 |
0.000 |
0 |
0 |
0 |
0.029 |
| 62 |
63 |
|
[K]A:1757 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
212963 |
126.3 |
-72.9 |
0.000 |
0 |
0 |
0 |
0.027 |
| 63 |
64 |
|
F |
13 |
4 |
7116 |
◊ |
F |
-y,-x,-z+1/2 |
8_555 |
13 |
4 |
7116 |
124.7 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
| 64 |
65 |
|
[PSU]A:1541 |
15 |
1 |
431 |
cf |
[PSU]A:1540 |
x,y,z |
1_555 |
17 |
1 |
428 |
121.5 |
1.2 |
0.741 |
0 |
0 |
0 |
0.000 |
| 65 |
66 |
|
[K]A:1762 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
212963 |
119.4 |
-68.4 |
0.000 |
0 |
0 |
0 |
0.025 |
| 66 |
67 |
|
[K]A:1754 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
212963 |
118.5 |
-69.8 |
0.000 |
0 |
0 |
0 |
0.026 |
| 67 |
68 |
|
[K]A:1755 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
212963 |
117.5 |
-72.6 |
0.000 |
0 |
0 |
0 |
0.027 |
| 68 |
69 |
|
[K]A:1779 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
212963 |
114.9 |
-104.0 |
0.000 |
0 |
0 |
0 |
0.038 |
| 69 |
70 |
|
[K]A:1786 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
212963 |
114.7 |
-69.7 |
0.000 |
0 |
0 |
0 |
0.026 |
| 70 |
71 |
|
[K]A:1759 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
212963 |
112.4 |
-68.6 |
0.000 |
0 |
0 |
0 |
0.025 |
| 71 |
72 |
|
[K]A:1765 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
212963 |
110.5 |
-62.0 |
0.000 |
0 |
0 |
0 |
0.023 |
| 72 |
73 |
|
[K]A:1773 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
212963 |
110.1 |
-67.9 |
0.000 |
0 |
0 |
0 |
0.025 |
| 73 |
74 |
|
[K]A:1772 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
212963 |
109.8 |
-58.7 |
0.000 |
0 |
0 |
0 |
0.021 |
| 74 |
75 |
|
[M2G]A:966 |
9 |
1 |
513 |
cf |
A |
x,y,z |
1_555 |
14 |
4 |
212963 |
109.4 |
-0.6 |
0.689 |
0 |
0 |
0 |
0.000 |
| 75 |
76 |
|
[K]A:1753 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
212963 |
106.5 |
-62.5 |
0.000 |
0 |
0 |
0 |
0.023 |
| 76 |
77 |
|
[K]A:1781 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
212963 |
106.3 |
-68.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| 77 |
78 |
|
[K]A:1774 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
212963 |
105.3 |
-70.4 |
0.000 |
0 |
0 |
0 |
0.026 |
| 78 |
79 |
|
[K]A:1783 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
212963 |
103.3 |
-55.8 |
0.000 |
0 |
0 |
0 |
0.020 |
| 79 |
80 |
|
[K]A:1782 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
212963 |
102.7 |
-67.6 |
0.000 |
0 |
0 |
0 |
0.025 |
| 80 |
81 |
|
[K]A:1767 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
212963 |
102.0 |
-62.5 |
0.000 |
0 |
0 |
0 |
0.023 |
| 81 |
82 |
|
[K]A:1784 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
212963 |
95.8 |
-58.4 |
0.000 |
0 |
0 |
0 |
0.021 |
| 82 |
83 |
|
[K]A:1761 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
212963 |
94.0 |
-56.7 |
0.000 |
0 |
0 |
0 |
0.021 |
| 83 |
84 |
|
[K]A:1752 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
212963 |
93.3 |
-57.1 |
0.000 |
0 |
0 |
0 |
0.021 |
| 84 |
85 |
|
[K]A:1758 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
212963 |
90.1 |
-52.2 |
0.000 |
0 |
0 |
0 |
0.019 |
| 85 |
86 |
|
[5MC]A:1400 |
16 |
1 |
456 |
◊ |
A |
-y-1/2,x-1/2,z+1/4 |
2_445 |
11 |
1 |
212963 |
87.3 |
-0.8 |
0.681 |
1 |
0 |
0 |
0.000 |
| 86 |
87 |
|
[K]A:1778 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
212963 |
86.5 |
-48.7 |
0.000 |
0 |
0 |
0 |
0.018 |
| 87 |
88 |
|
E |
12 |
5 |
8762 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
12449 |
85.9 |
-0.8 |
0.452 |
1 |
2 |
0 |
0.000 |
| 88 |
89 |
|
[K]A:1785 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
212963 |
85.2 |
-50.3 |
0.000 |
0 |
0 |
0 |
0.018 |
| 89 |
90 |
|
G |
9 |
3 |
10659 |
◊ |
A |
-y-1/2,x-1/2,z+1/4 |
2_445 |
10 |
3 |
212963 |
82.1 |
-0.4 |
0.659 |
0 |
0 |
0 |
0.000 |
| 90 |
91 |
|
[K]A:1771 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
212963 |
81.7 |
-47.9 |
0.000 |
0 |
0 |
0 |
0.018 |
| 91 |
92 |
|
[K]A:1769 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
212963 |
80.3 |
-48.6 |
0.000 |
0 |
0 |
0 |
0.018 |
| 92 |
93 |
|
R |
12 |
6 |
5677 |
◊ |
R |
-y,-x,-z+1/2 |
8_555 |
12 |
6 |
5677 |
78.6 |
0.3 |
0.585 |
0 |
0 |
0 |
0.000 |
| 93 |
94 |
|
[K]A:1770 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
212963 |
74.4 |
-44.7 |
0.000 |
0 |
0 |
0 |
0.016 |
| 94 |
95 |
|
R |
9 |
3 |
5677 |
◊ |
F |
-y,-x,-z+1/2 |
8_555 |
6 |
2 |
7116 |
71.0 |
0.6 |
0.688 |
0 |
0 |
0 |
0.000 |
| 95 |
96 |
|
N |
15 |
3 |
5759 |
◊ |
I |
x,y,z |
1_555 |
8 |
1 |
8541 |
70.3 |
-0.3 |
0.514 |
0 |
0 |
0 |
0.000 |
| 96 |
97 |
|
[7MG]A:527 |
4 |
1 |
513 |
◊ |
L |
x,y,z |
1_555 |
14 |
5 |
9624 |
67.8 |
-0.3 |
0.537 |
1 |
0 |
0 |
0.000 |
| 97 |
98 |
|
[K]A:1776 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
212963 |
65.3 |
-37.1 |
0.000 |
0 |
0 |
0 |
0.014 |
| 98 |
99 |
|
[M2G]A:966 |
7 |
1 |
513 |
◊ |
I |
x,y,z |
1_555 |
7 |
1 |
8541 |
61.9 |
-2.2 |
0.259 |
0 |
0 |
0 |
0.000 |
| 99 |
100 |
|
[K]A:1777 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
212963 |
60.5 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.012 |
| 100 |
101 |
|
M |
6 |
2 |
9717 |
◊ |
I |
x,y,z |
1_555 |
10 |
3 |
8541 |
59.6 |
0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
| 101 |
102 |
|
[M2G]A:966 |
14 |
1 |
513 |
◊ |
A |
-y-1/2,x-1/2,z+1/4 |
2_445 |
8 |
1 |
212963 |
58.4 |
0.6 |
0.736 |
0 |
0 |
0 |
0.000 |
| 102 |
103 |
|
[5MC]A:967 |
6 |
1 |
460 |
◊ |
I |
x,y,z |
1_555 |
11 |
2 |
8541 |
57.7 |
-0.6 |
0.412 |
0 |
0 |
0 |
0.000 |
| 103 |
104 |
|
[K]A:1763 |
1 |
1 |
216 |
f |
[K]A:1760 |
x,y,z |
1_555 |
1 |
1 |
216 |
53.7 |
-53.7 |
0.000 |
0 |
0 |
0 |
0.020 |
| 104 |
105 |
|
[K]A:1777 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
7 |
4 |
8541 |
53.6 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.009 |
| 105 |
106 |
|
J |
6 |
1 |
7473 |
◊ |
C |
-y,-x,-z-1/2 |
8_554 |
5 |
3 |
12449 |
53.0 |
-1.3 |
0.262 |
0 |
0 |
0 |
0.000 |
| 106 |
107 |
|
C |
5 |
2 |
12449 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13091 |
52.5 |
1.5 |
0.825 |
0 |
0 |
0 |
0.000 |
| 107 |
108 |
|
[K]A:1771 |
1 |
1 |
216 |
f |
[K]A:1753 |
x,y,z |
1_555 |
1 |
1 |
216 |
50.7 |
-50.7 |
0.000 |
0 |
0 |
0 |
0.019 |
| 108 |
109 |
|
L |
4 |
1 |
9624 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
8513 |
48.9 |
-1.1 |
0.261 |
0 |
0 |
0 |
0.000 |
| 109 |
110 |
|
[MA6]A:1519 |
6 |
1 |
516 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
5 |
1 |
458 |
48.0 |
-1.9 |
0.310 |
0 |
0 |
0 |
0.000 |
| 110 |
111 |
|
[K]A:1766 |
1 |
1 |
216 |
◊ |
P |
x,y,z |
1_555 |
5 |
1 |
5699 |
47.5 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.008 |
| 111 |
112 |
|
U |
5 |
4 |
2611 |
◊ |
M |
x,y,z |
1_555 |
4 |
3 |
9717 |
46.5 |
0.7 |
0.572 |
0 |
0 |
0 |
0.000 |
| 112 |
113 |
|
[K]A:1769 |
1 |
1 |
216 |
◊ |
A |
-y-1/2,x-1/2,z+1/4 |
2_445 |
6 |
2 |
212963 |
42.7 |
-21.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 113 |
114 |
|
[K]A:1772 |
1 |
1 |
216 |
◊ |
U |
x,y,z |
1_555 |
6 |
3 |
2611 |
41.6 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.008 |
| 114 |
115 |
|
[K]A:1786 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12449 |
40.4 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 115 |
116 |
|
[K]A:1784 |
1 |
1 |
216 |
◊ |
P |
x,y,z |
1_555 |
6 |
2 |
5699 |
38.9 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 116 |
117 |
|
O |
2 |
1 |
6695 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
7116 |
34.4 |
0.2 |
0.345 |
0 |
0 |
0 |
0.000 |
| 117 |
118 |
|
[5MC]A:1400 |
2 |
1 |
456 |
f |
[M2G]A:966 |
x,y,z |
1_555 |
5 |
1 |
513 |
32.2 |
0.4 |
0.549 |
1 |
0 |
0 |
0.000 |
| 118 |
119 |
|
[M2G]A:966 |
4 |
1 |
513 |
◊ |
M |
x,y,z |
1_555 |
4 |
2 |
9717 |
28.7 |
1.4 |
0.795 |
0 |
0 |
0 |
0.000 |
| 119 |
120 |
|
A |
4 |
2 |
212963 |
◊ |
[K]A:1775 |
-y-1/2,x-1/2,z+1/4 |
2_445 |
1 |
1 |
216 |
27.8 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 120 |
121 |
|
[MA6]A:1519 |
4 |
1 |
516 |
f |
[UR3]A:1498 |
x,y,z |
1_555 |
5 |
1 |
450 |
27.2 |
1.1 |
0.619 |
0 |
0 |
0 |
0.000 |
| 121 |
122 |
|
[UR3]A:1498 |
2 |
1 |
450 |
f |
[4OC]A:1402 |
x,y,z |
1_555 |
2 |
1 |
496 |
26.1 |
0.6 |
0.606 |
0 |
0 |
0 |
0.000 |
| 122 |
123 |
|
[K]A:1777 |
1 |
1 |
216 |
f |
[5MC]A:967 |
x,y,z |
1_555 |
3 |
1 |
460 |
26.0 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.005 |
| 123 |
124 |
|
[UR3]A:1498 |
5 |
1 |
450 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
5 |
1 |
458 |
24.6 |
-0.2 |
0.595 |
0 |
0 |
0 |
0.000 |
| 124 |
125 |
|
[K]A:1776 |
1 |
1 |
216 |
f |
[K]A:1761 |
x,y,z |
1_555 |
1 |
1 |
216 |
20.2 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 125 |
126 |
|
[K]A:1785 |
1 |
1 |
216 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
5699 |
18.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| 126 |
127 |
|
[K]A:1781 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
12449 |
15.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.003 |
| 127 |
128 |
|
[K]A:1767 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
9624 |
15.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 128 |
129 |
|
[ZN]N:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
212963 |
13.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 129 |
130 |
|
[K]A:1760 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
9624 |
12.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.002 |
| 130 |
131 |
|
[2MG]A:1207 |
3 |
1 |
513 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12449 |
10.2 |
0.3 |
0.668 |
0 |
0 |
0 |
0.000 |
| 131 |
132 |
|
[K]A:1773 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12266 |
10.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.001 |
| 132 |
133 |
|
[K]A:1769 |
1 |
1 |
216 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
7407 |
9.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.002 |
| 133 |
134 |
|
[MA6]A:1518 |
2 |
1 |
514 |
f |
[UR3]A:1498 |
x,y,z |
1_555 |
2 |
1 |
450 |
8.5 |
0.5 |
0.544 |
0 |
0 |
0 |
0.000 |
| 134 |
135 |
|
[K]A:1772 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
10659 |
7.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.001 |
| 135 |
136 |
|
[PSU]A:1541 |
1 |
1 |
431 |
◊ |
A |
-y-1/2,x-1/2,z+1/4 |
2_445 |
1 |
1 |
212963 |
4.4 |
-0.1 |
0.426 |
0 |
0 |
0 |
0.000 |
|