| ## |
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 |
391 |
79 |
207855 |
◊ |
L |
x,y,z |
1_555 |
321 |
80 |
9290 |
3298.6 |
-59.3 |
0.831 |
76 |
0 |
0 |
0.162 |
| 2 |
2 |
|
A |
336 |
65 |
207855 |
◊ |
I |
x,y,z |
1_555 |
268 |
60 |
8108 |
2917.5 |
-54.5 |
0.755 |
68 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
343 |
60 |
207855 |
◊ |
D |
x,y,z |
1_555 |
300 |
77 |
12128 |
2869.7 |
-56.0 |
0.651 |
84 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
329 |
60 |
207855 |
◊ |
Q |
x,y,z |
1_555 |
270 |
60 |
7808 |
2707.0 |
-40.6 |
0.827 |
52 |
0 |
0 |
0.129 |
| 5 |
5 |
|
A |
305 |
63 |
207855 |
◊ |
T |
x,y,z |
1_555 |
237 |
62 |
7045 |
2535.8 |
-47.1 |
0.684 |
53 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
286 |
54 |
207855 |
◊ |
P |
x,y,z |
1_555 |
244 |
56 |
5392 |
2459.9 |
-43.0 |
0.714 |
37 |
0 |
0 |
0.126 |
| 7 |
7 |
|
A |
259 |
44 |
207855 |
◊ |
M |
x,y,z |
1_555 |
233 |
58 |
9209 |
2287.3 |
-46.4 |
0.554 |
52 |
0 |
0 |
0.133 |
| 8 |
8 |
|
A |
232 |
41 |
207855 |
◊ |
E |
x,y,z |
1_555 |
187 |
54 |
8372 |
1940.4 |
-31.2 |
0.763 |
47 |
0 |
0 |
0.000 |
| 9 |
9 |
|
A |
265 |
49 |
207855 |
◊ |
N |
x,y,z |
1_555 |
168 |
36 |
5661 |
1897.4 |
-25.9 |
0.929 |
42 |
0 |
0 |
0.000 |
| 10 |
10 |
|
A |
222 |
42 |
207855 |
◊ |
K |
x,y,z |
1_555 |
175 |
42 |
7351 |
1835.2 |
-27.9 |
0.809 |
41 |
0 |
0 |
0.000 |
| 11 |
11 |
|
A |
232 |
44 |
207855 |
◊ |
H |
x,y,z |
1_555 |
188 |
50 |
8278 |
1827.9 |
-31.0 |
0.291 |
28 |
0 |
0 |
0.098 |
| 12 |
12 |
|
A |
229 |
41 |
207855 |
◊ |
G |
x,y,z |
1_555 |
181 |
44 |
10122 |
1815.9 |
-25.0 |
0.877 |
37 |
0 |
0 |
0.097 |
| 13 |
13 |
|
A |
233 |
45 |
207855 |
◊ |
J |
x,y,z |
1_555 |
170 |
41 |
7306 |
1780.6 |
-29.0 |
0.803 |
24 |
0 |
0 |
0.105 |
| 14 |
14 |
|
A |
203 |
38 |
207855 |
◊ |
O |
x,y,z |
1_555 |
185 |
43 |
6349 |
1771.6 |
-34.1 |
0.620 |
34 |
0 |
0 |
0.108 |
| 15 |
15 |
|
A |
206 |
35 |
207855 |
◊ |
C |
x,y,z |
1_555 |
176 |
46 |
11890 |
1708.0 |
-28.4 |
0.688 |
26 |
0 |
0 |
0.098 |
| 16 |
16 |
|
A |
202 |
40 |
207855 |
◊ |
S |
x,y,z |
1_555 |
154 |
30 |
5953 |
1571.6 |
-19.6 |
0.851 |
37 |
0 |
0 |
0.097 |
| 17 |
17 |
|
A |
149 |
32 |
207855 |
◊ |
V |
x,y,z |
1_555 |
121 |
22 |
2435 |
1303.8 |
-24.3 |
0.464 |
28 |
0 |
0 |
0.000 |
| 18 |
18 |
|
A |
138 |
25 |
207855 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
155 |
27 |
207855 |
1062.6 |
-18.3 |
0.946 |
7 |
0 |
0 |
0.000 |
| 19 |
19 |
|
A |
126 |
18 |
207855 |
◊ |
W |
x,y,z |
1_555 |
101 |
31 |
4960 |
1016.6 |
-4.2 |
0.910 |
16 |
0 |
0 |
0.000 |
| 20 |
20 |
|
R |
116 |
27 |
5443 |
◊ |
F |
x,y,z |
1_555 |
103 |
26 |
6710 |
1010.3 |
-7.4 |
0.139 |
18 |
4 |
0 |
0.043 |
| 21 |
21 |
|
A |
113 |
27 |
207855 |
◊ |
B |
x,y,z |
1_555 |
84 |
31 |
12153 |
908.8 |
-15.0 |
0.754 |
14 |
0 |
0 |
0.057 |
| 22 |
22 |
|
A |
96 |
20 |
207855 |
◊ |
R |
x,y,z |
1_555 |
83 |
22 |
5443 |
875.2 |
-20.5 |
0.464 |
23 |
0 |
0 |
0.083 |
| 23 |
23 |
|
C |
108 |
27 |
11890 |
◊ |
N |
x,y,z |
1_555 |
88 |
20 |
5661 |
845.6 |
-9.1 |
0.137 |
5 |
0 |
0 |
0.000 |
| 24 |
24 |
|
N |
81 |
17 |
5661 |
◊ |
J |
x,y,z |
1_555 |
89 |
18 |
7306 |
758.6 |
-7.5 |
0.265 |
9 |
5 |
0 |
1.000 |
| 25 |
25 |
|
H |
59 |
19 |
8278 |
◊ |
E |
x,y,z |
1_555 |
69 |
17 |
8372 |
607.8 |
-0.3 |
0.536 |
5 |
2 |
0 |
0.000 |
| 26 |
26 |
|
X |
61 |
6 |
1468 |
◊ |
A |
x,y,z |
1_555 |
79 |
15 |
207855 |
565.5 |
-12.1 |
0.887 |
9 |
0 |
0 |
0.043 |
| 27 |
27 |
|
A |
61 |
13 |
207855 |
◊ |
F |
x,y,z |
1_555 |
65 |
20 |
6710 |
542.1 |
-7.4 |
0.704 |
16 |
0 |
0 |
0.039 |
| 28 |
28 |
|
W |
58 |
14 |
4960 |
◊ |
L |
x,y,z |
1_555 |
49 |
13 |
9290 |
461.2 |
-3.6 |
0.255 |
5 |
1 |
0 |
0.000 |
| 29 |
29 |
|
A |
48 |
10 |
207855 |
◊ |
M |
-y+1/2,x-1/2,z+1/4 |
3_545 |
47 |
16 |
9209 |
435.8 |
-8.4 |
0.545 |
8 |
0 |
0 |
0.000 |
| 30 |
30 |
|
S |
48 |
13 |
5953 |
◊ |
M |
x,y,z |
1_555 |
41 |
12 |
9209 |
424.0 |
-2.2 |
0.455 |
3 |
0 |
0 |
0.005 |
| 31 |
31 |
|
B |
39 |
13 |
12153 |
◊ |
B |
y,x,-z |
7_555 |
40 |
13 |
12153 |
409.2 |
5.0 |
0.909 |
6 |
6 |
0 |
0.000 |
| 32 |
32 |
|
C |
41 |
10 |
11890 |
◊ |
J |
x,y,z |
1_555 |
43 |
13 |
7306 |
363.6 |
-3.6 |
0.278 |
1 |
0 |
0 |
0.010 |
| 33 |
33 |
|
R |
34 |
8 |
5443 |
◊ |
K |
x,y,z |
1_555 |
41 |
15 |
7351 |
356.6 |
0.0 |
0.607 |
5 |
1 |
0 |
0.000 |
| 34 |
34 |
|
E |
38 |
14 |
8372 |
◊ |
D |
x,y,z |
1_555 |
30 |
10 |
12128 |
336.7 |
0.3 |
0.528 |
3 |
4 |
0 |
0.000 |
| 35 |
35 |
|
H |
39 |
12 |
8278 |
◊ |
D |
y,x,-z |
7_555 |
33 |
15 |
12128 |
336.6 |
4.5 |
0.707 |
6 |
2 |
0 |
0.000 |
| 36 |
36 |
|
E |
36 |
13 |
8372 |
◊ |
E |
y,x,-z |
7_555 |
36 |
13 |
8372 |
264.0 |
4.3 |
0.852 |
2 |
0 |
0 |
0.000 |
| 37 |
37 |
|
B |
33 |
9 |
12153 |
◊ |
H |
x,y,z |
1_555 |
25 |
7 |
8278 |
248.1 |
-1.7 |
0.383 |
4 |
2 |
0 |
0.008 |
| 38 |
38 |
|
K |
27 |
8 |
7351 |
◊ |
G |
x,y,z |
1_555 |
28 |
8 |
10122 |
247.2 |
-0.8 |
0.473 |
2 |
0 |
0 |
0.000 |
| 39 |
39 |
|
I |
29 |
10 |
8108 |
◊ |
G |
x,y,z |
1_555 |
22 |
9 |
10122 |
233.8 |
-3.9 |
0.144 |
0 |
0 |
0 |
0.000 |
| 40 |
40 |
|
Q |
22 |
5 |
7808 |
◊ |
L |
x,y,z |
1_555 |
22 |
6 |
9290 |
193.2 |
-3.2 |
0.200 |
1 |
0 |
0 |
0.006 |
| 41 |
41 |
|
J |
17 |
4 |
7306 |
◊ |
J |
-y+1,-x+1,-z+1/2 |
8_665 |
17 |
4 |
7306 |
190.6 |
1.8 |
0.787 |
0 |
0 |
0 |
0.000 |
| 42 |
42 |
|
A |
22 |
4 |
207855 |
◊ |
X |
-y+1/2,x-1/2,z+1/4 |
3_545 |
21 |
4 |
1468 |
177.3 |
-7.0 |
0.614 |
6 |
0 |
0 |
0.000 |
| 43 |
43 |
|
I |
17 |
5 |
8108 |
◊ |
J |
x,y,z |
1_555 |
20 |
8 |
7306 |
153.6 |
-0.9 |
0.361 |
0 |
0 |
0 |
0.000 |
| 44 |
44 |
|
K |
20 |
9 |
7351 |
◊ |
A |
x,y,z-1 |
1_554 |
21 |
2 |
207855 |
148.7 |
-1.1 |
0.704 |
2 |
0 |
0 |
0.000 |
| 45 |
45 |
|
Q |
15 |
5 |
7808 |
◊ |
H |
x,y,z |
1_555 |
17 |
4 |
8278 |
122.1 |
-0.8 |
0.452 |
0 |
0 |
0 |
0.002 |
| 46 |
46 |
|
C |
10 |
3 |
11890 |
◊ |
E |
x,y,z |
1_555 |
15 |
5 |
8372 |
113.1 |
1.4 |
0.634 |
0 |
1 |
0 |
0.000 |
| 47 |
47 |
|
A |
12 |
2 |
207855 |
◊ |
G |
-y+1/2,x-1/2,z+1/4 |
3_545 |
14 |
3 |
10122 |
110.9 |
-1.5 |
0.507 |
1 |
0 |
0 |
0.000 |
| 48 |
48 |
|
[MG]A:1599 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
207855 |
70.3 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.029 |
| 49 |
49 |
|
A |
9 |
2 |
207855 |
◊ |
I |
-y+1/2,x-1/2,z+1/4 |
3_545 |
6 |
1 |
8108 |
66.1 |
-2.5 |
0.362 |
0 |
0 |
0 |
0.000 |
| 50 |
50 |
|
[MG]A:1555 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
207855 |
65.0 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| 51 |
51 |
|
[MG]A:1569 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
207855 |
64.2 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.027 |
| 52 |
52 |
|
[MG]A:1563 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
207855 |
64.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.029 |
| 53 |
53 |
|
[MG]A:1546 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
207855 |
63.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 54 |
54 |
|
I |
6 |
1 |
8108 |
◊ |
N |
x,y,z |
1_555 |
13 |
2 |
5661 |
63.8 |
0.4 |
0.675 |
1 |
0 |
0 |
0.000 |
| 55 |
55 |
|
[MG]A:1595 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
207855 |
63.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 56 |
56 |
|
[MG]A:1561 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
207855 |
61.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.024 |
| 57 |
57 |
|
L |
6 |
2 |
9290 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
8278 |
60.9 |
-0.8 |
0.316 |
0 |
0 |
0 |
0.001 |
| 58 |
58 |
|
[MG]A:1596 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
207855 |
60.8 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| 59 |
59 |
|
[MG]A:1558 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
207855 |
60.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.026 |
| 60 |
60 |
|
[MG]A:1552 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
207855 |
60.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.026 |
| 61 |
61 |
|
[MG]A:1585 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
207855 |
59.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.025 |
| 62 |
62 |
|
[MG]A:1554 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
207855 |
59.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 63 |
63 |
|
C |
5 |
2 |
11890 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12153 |
58.4 |
1.5 |
0.823 |
0 |
0 |
0 |
0.000 |
| 64 |
64 |
|
[MG]A:1556 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
207855 |
58.4 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 65 |
65 |
|
A |
8 |
2 |
207855 |
◊ |
M |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
6 |
3 |
9209 |
58.2 |
-1.3 |
0.519 |
0 |
0 |
0 |
0.000 |
| 66 |
66 |
|
[MG]A:86 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
207855 |
58.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.024 |
| 67 |
67 |
|
[MG]A:1602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
207855 |
57.9 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.027 |
| 68 |
68 |
|
[MG]A:1545 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
207855 |
57.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.026 |
| 69 |
69 |
|
[MG]A:1583 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
207855 |
57.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.026 |
| 70 |
70 |
|
[MG]A:1572 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
207855 |
56.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 71 |
71 |
|
[MG]A:1553 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
207855 |
56.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 72 |
72 |
|
[MG]A:1591 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
207855 |
56.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.026 |
| 73 |
73 |
|
[MG]A:1566 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
207855 |
55.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.023 |
| 74 |
74 |
|
[MG]A:1559 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
207855 |
55.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 75 |
75 |
|
[MG]A:1592 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
207855 |
55.4 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.000 |
76 |
|
[MG]A:1594 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
207855 |
42.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
48.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 76 |
77 |
|
[MG]A:1598 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
207855 |
55.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 77 |
78 |
|
[MG]A:1575 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
207855 |
55.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 78 |
79 |
|
[MG]A:1603 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
207855 |
55.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 79 |
80 |
|
[MG]A:1600 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
207855 |
54.5 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 80 |
81 |
|
[MG]A:1586 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
207855 |
54.4 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 81 |
82 |
|
[MG]A:1567 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
207855 |
54.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.000 |
83 |
|
[MG]A:1568 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
207855 |
51.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
52.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 82 |
84 |
|
[MG]A:1578 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
207855 |
54.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.026 |
| 83 |
85 |
|
[MG]A:1576 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
207855 |
53.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.024 |
| 84 |
86 |
|
[MG]A:1562 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
207855 |
53.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 85 |
87 |
|
I |
8 |
2 |
8108 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
9209 |
53.2 |
0.9 |
0.650 |
1 |
0 |
0 |
0.000 |
| 86 |
88 |
|
[MG]A:1582 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
207855 |
51.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 87 |
89 |
|
[MG]A:1604 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
207855 |
51.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 88 |
90 |
|
[MG]A:1581 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
207855 |
51.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.000 |
91 |
|
[MG]A:1580 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
207855 |
47.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
49.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 89 |
92 |
|
[MG]A:1587 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
207855 |
51.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.024 |
| 90 |
93 |
|
[MG]A:1574 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
207855 |
50.6 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.027 |
| 91 |
94 |
|
[MG]A:1605 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
207855 |
50.4 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.023 |
| 92 |
95 |
|
[MG]A:1557 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
207855 |
50.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 93 |
96 |
|
[MG]A:1589 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
207855 |
49.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.019 |
| 94 |
97 |
|
[MG]A:1551 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
207855 |
49.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 95 |
98 |
|
[MG]A:1565 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
207855 |
49.7 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 96 |
99 |
|
[MG]A:1593 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
207855 |
49.7 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.024 |
| 97 |
100 |
|
[MG]A:1547 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
207855 |
49.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.022 |
| 98 |
101 |
|
[MG]A:1577 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
207855 |
49.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 99 |
102 |
|
[ZN]D:300 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
3 |
3 |
12128 |
49.0 |
-39.0 |
0.000 |
0 |
0 |
0 |
0.100 |
| 100 |
103 |
|
[MG]A:1588 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
207855 |
48.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 101 |
104 |
|
[MG]A:1560 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
207855 |
47.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 102 |
105 |
|
[MG]A:71 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
207855 |
47.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.020 |
| 103 |
106 |
|
[MG]A:1573 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
207855 |
46.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 104 |
107 |
|
[MG]A:1570 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
207855 |
46.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 105 |
108 |
|
[MG]A:87 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
207855 |
45.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 106 |
109 |
|
[MG]A:1597 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
207855 |
45.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 107 |
110 |
|
[MG]A:1584 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
207855 |
44.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 108 |
111 |
|
[MG]A:1579 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
207855 |
44.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 109 |
112 |
|
[MG]A:1601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
207855 |
44.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 110 |
113 |
|
[MG]A:1548 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
207855 |
42.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 111 |
114 |
|
[MG]W:72 |
1 |
1 |
98 |
f |
W |
x,y,z |
1_555 |
7 |
2 |
4960 |
39.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.100 |
| 112 |
115 |
|
V |
4 |
3 |
2435 |
◊ |
M |
x,y,z |
1_555 |
5 |
3 |
9209 |
36.5 |
0.0 |
0.467 |
0 |
0 |
0 |
0.000 |
| 113 |
116 |
|
A |
5 |
2 |
207855 |
◊ |
D |
y,x,-z |
7_555 |
4 |
3 |
12128 |
36.2 |
-0.2 |
0.631 |
1 |
0 |
0 |
0.000 |
| 114 |
117 |
|
[MG]A:1590 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
207855 |
35.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 115 |
118 |
|
[MG]W:72 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
207855 |
35.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 116 |
119 |
|
[MG]A:1549 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
207855 |
34.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.014 |
| 117 |
120 |
|
[MG]A:1564 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
207855 |
34.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 118 |
121 |
|
[MG]A:1550 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
207855 |
32.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 119 |
122 |
|
[MG]A:1571 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
207855 |
32.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.012 |
| 120 |
123 |
|
O |
2 |
1 |
6349 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
6710 |
32.2 |
0.4 |
0.365 |
0 |
0 |
0 |
0.000 |
| 121 |
124 |
|
[MG]A:1564 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
8372 |
28.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 122 |
125 |
|
C |
2 |
1 |
11890 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12128 |
27.2 |
1.5 |
0.950 |
0 |
0 |
0 |
0.000 |
| 123 |
126 |
|
[MG]A:1604 |
1 |
1 |
98 |
◊ |
V |
x,y,z |
1_555 |
4 |
3 |
2435 |
26.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 124 |
127 |
|
[MG]A:1575 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
3 |
3 |
5661 |
25.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 125 |
128 |
|
[MG]A:1581 |
1 |
1 |
98 |
f |
[MG]A:1580 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 126 |
129 |
|
B |
2 |
2 |
12153 |
◊ |
E |
y,x,-z |
7_555 |
3 |
2 |
8372 |
23.1 |
0.5 |
0.806 |
0 |
0 |
0 |
0.000 |
| 127 |
130 |
|
[MG]A:1605 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
3 |
3 |
9290 |
17.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.003 |
| 128 |
131 |
|
X |
3 |
1 |
1468 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
10122 |
16.8 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
| 129 |
132 |
|
[MG]A:1594 |
1 |
1 |
98 |
f |
[MG]A:1592 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| 130 |
133 |
|
[MG]A:1585 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11890 |
14.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.004 |
| 131 |
134 |
|
[MG]A:1570 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
8108 |
13.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 132 |
135 |
|
A |
2 |
2 |
207855 |
◊ |
K |
-y+1/2,x-1/2,z+1/4 |
3_545 |
2 |
1 |
7351 |
12.5 |
-0.5 |
0.504 |
0 |
0 |
0 |
0.000 |
| 133 |
136 |
|
[ZN]N:190 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
207855 |
12.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.013 |
| 134 |
137 |
|
[MG]A:1555 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
7351 |
8.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 135 |
138 |
|
[MG]A:1579 |
1 |
1 |
98 |
◊ |
T |
x,y,z |
1_555 |
2 |
2 |
7045 |
7.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 136 |
139 |
|
[MG]A:1569 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
8108 |
7.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 137 |
140 |
|
Q |
3 |
1 |
7808 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
6349 |
6.6 |
0.2 |
0.697 |
0 |
0 |
0 |
0.000 |
| 138 |
141 |
|
[MG]A:1600 |
1 |
1 |
98 |
f |
[MG]A:1550 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.100 |
| 139 |
142 |
|
[MG]A:1577 |
1 |
1 |
98 |
f |
[MG]A:1576 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 140 |
143 |
|
[MG]A:1571 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
8372 |
4.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 141 |
144 |
|
[MG]A:1568 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
8108 |
4.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 142 |
145 |
|
[MG]A:1590 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
7351 |
4.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 143 |
146 |
|
[MG]A:1603 |
1 |
1 |
98 |
f |
[MG]A:1576 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 144 |
147 |
|
[MG]A:1568 |
1 |
1 |
98 |
f |
[MG]A:1567 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|