| ## |
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 |
|
L |
192 |
59 |
11323 |
◊ |
H |
x,y,z |
1_555 |
188 |
57 |
11575 |
1798.0 |
-31.1 |
0.021 |
13 |
1 |
1 |
0.745 |
2 |
|
D |
178 |
53 |
11388 |
◊ |
C |
x,y,z |
1_555 |
176 |
51 |
11195 |
1700.4 |
-29.9 |
0.023 |
13 |
1 |
1 |
0.745 |
| Average: |
1749.2 |
-30.5 |
0.022 |
13 |
1 |
1 |
0.745 |
| 2 |
3 |
|
B |
61 |
16 |
14966 |
◊ |
A |
x,y,z |
1_555 |
77 |
20 |
14315 |
602.9 |
-7.8 |
0.096 |
10 |
0 |
0 |
0.418 |
| 3 |
4 |
|
C |
42 |
12 |
11195 |
◊ |
A |
x,y,z |
1_555 |
45 |
15 |
14315 |
384.7 |
-2.1 |
0.559 |
8 |
0 |
0 |
0.000 |
| 4 |
5 |
|
H |
43 |
12 |
11575 |
◊ |
B |
x,y,z |
1_555 |
47 |
14 |
14966 |
381.2 |
-2.0 |
0.585 |
8 |
0 |
0 |
0.000 |
| 5 |
6 |
|
C |
36 |
11 |
11195 |
◊ |
H |
x,y-1,z-1 |
1_544 |
36 |
11 |
11575 |
355.1 |
-0.5 |
0.771 |
10 |
0 |
0 |
0.030 |
| 6 |
7 |
|
B |
40 |
13 |
14966 |
◊ |
L |
-x+3,y-1/2,-z+1 |
2_846 |
29 |
8 |
11323 |
334.5 |
-1.3 |
0.494 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
34 |
15 |
14315 |
◊ |
H |
-x+2,y-1/2,-z+1 |
2_746 |
32 |
9 |
11575 |
311.7 |
-0.6 |
0.631 |
4 |
0 |
0 |
0.026 |
| 8 |
9 |
|
D |
32 |
7 |
11388 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
14315 |
284.6 |
-2.2 |
0.435 |
5 |
0 |
0 |
0.000 |
10 |
|
L |
23 |
7 |
11323 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
14966 |
183.0 |
-1.3 |
0.405 |
3 |
0 |
0 |
0.000 |
| Average: |
233.8 |
-1.8 |
0.420 |
4 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[DHF]A:428 |
25 |
1 |
668 |
f |
A |
x,y,z |
1_555 |
42 |
17 |
14315 |
282.4 |
0.2 |
0.391 |
5 |
0 |
0 |
0.147 |
12 |
|
[DHF]B:419 |
24 |
1 |
663 |
f |
B |
x,y,z |
1_555 |
41 |
17 |
14966 |
273.9 |
0.3 |
0.421 |
6 |
0 |
0 |
0.147 |
| Average: |
278.2 |
0.3 |
0.406 |
6 |
0 |
0 |
0.147 |
| 10 |
13 |
|
D |
33 |
9 |
11388 |
◊ |
C |
-x+3,y-1/2,-z |
2_845 |
35 |
12 |
11195 |
281.6 |
-0.2 |
0.764 |
3 |
0 |
0 |
0.000 |
| 11 |
14 |
|
D |
29 |
9 |
11388 |
◊ |
H |
x,y-2,z-1 |
1_534 |
28 |
8 |
11575 |
267.9 |
-1.6 |
0.587 |
3 |
0 |
0 |
0.020 |
| 12 |
15 |
|
C |
20 |
8 |
11195 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
26 |
7 |
14315 |
224.0 |
-0.9 |
0.583 |
4 |
0 |
0 |
0.029 |
| 13 |
16 |
|
B |
24 |
7 |
14966 |
x |
B |
-x+3,y-1/2,-z+1 |
2_846 |
17 |
5 |
14966 |
199.1 |
-0.5 |
0.576 |
4 |
0 |
0 |
0.000 |
| 14 |
17 |
|
D |
19 |
8 |
11388 |
◊ |
L |
x,y-2,z-1 |
1_534 |
19 |
9 |
11323 |
181.4 |
-0.3 |
0.505 |
4 |
1 |
0 |
0.015 |
| 15 |
18 |
|
[NAG]A:413 |
13 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
21 |
11 |
14315 |
175.0 |
3.7 |
0.377 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[NAG]B:408 |
13 |
1 |
366 |
cf |
B |
x,y,z |
1_555 |
21 |
11 |
14966 |
160.9 |
3.1 |
0.333 |
3 |
0 |
0 |
0.000 |
| 17 |
20 |
|
B |
22 |
8 |
14966 |
◊ |
H |
-x+3,y-1/2,-z+1 |
2_846 |
19 |
6 |
11575 |
154.4 |
0.8 |
0.773 |
2 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[NAG]A:404 |
12 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
20 |
6 |
14315 |
152.5 |
4.2 |
0.488 |
2 |
0 |
0 |
0.000 |
| 19 |
22 |
|
D |
17 |
8 |
11388 |
◊ |
L |
-x+3,y-3/2,-z+1 |
2_836 |
21 |
6 |
11323 |
151.5 |
-1.5 |
0.442 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[NAG]B:402 |
11 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
19 |
7 |
14966 |
146.9 |
4.1 |
0.485 |
1 |
0 |
0 |
0.000 |
24 |
|
[NAG]A:407 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
19 |
7 |
14315 |
145.6 |
4.3 |
0.495 |
1 |
0 |
0 |
0.000 |
| Average: |
146.3 |
4.2 |
0.490 |
1 |
0 |
0 |
0.000 |
| 21 |
25 |
|
C |
15 |
6 |
11195 |
◊ |
L |
x,y-1,z-1 |
1_544 |
13 |
3 |
11323 |
135.7 |
-1.7 |
0.385 |
0 |
0 |
0 |
0.020 |
26 |
|
D |
12 |
3 |
11388 |
◊ |
H |
x,y-1,z-1 |
1_544 |
14 |
6 |
11575 |
123.0 |
-1.6 |
0.399 |
0 |
0 |
0 |
0.020 |
| Average: |
129.3 |
-1.6 |
0.392 |
0 |
0 |
0 |
0.020 |
| 22 |
27 |
|
D |
14 |
7 |
11388 |
◊ |
C |
-x+2,y-1/2,-z |
2_745 |
18 |
6 |
11195 |
135.3 |
-0.2 |
0.672 |
1 |
0 |
0 |
0.016 |
| 23 |
28 |
|
[NAG]B:409 |
12 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
14966 |
133.1 |
2.4 |
0.269 |
1 |
0 |
0 |
0.000 |
29 |
|
[NAG]A:414 |
11 |
1 |
366 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
14315 |
130.3 |
2.4 |
0.305 |
1 |
0 |
0 |
0.000 |
| Average: |
131.7 |
2.4 |
0.287 |
1 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[NAG]A:421 |
10 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
11 |
5 |
14315 |
110.6 |
2.3 |
0.303 |
1 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[NAG]B:415 |
11 |
1 |
355 |
cf |
B |
x,y,z |
1_555 |
13 |
4 |
14966 |
107.9 |
2.9 |
0.357 |
1 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[NAG]B:413 |
10 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
10 |
4 |
14966 |
101.7 |
2.0 |
0.301 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[NAG]A:410 |
12 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
11 |
5 |
14315 |
100.1 |
2.2 |
0.242 |
0 |
0 |
0 |
0.000 |
34 |
|
[NAG]B:405 |
10 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
10 |
4 |
14966 |
92.7 |
2.0 |
0.311 |
0 |
0 |
0 |
0.000 |
| Average: |
96.4 |
2.1 |
0.276 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[NAG]B:406 |
9 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
16 |
4 |
14966 |
96.5 |
2.3 |
0.366 |
0 |
0 |
0 |
0.000 |
| 29 |
36 |
|
[NAG]A:411 |
9 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
16 |
4 |
14315 |
95.2 |
2.2 |
0.364 |
0 |
0 |
0 |
0.000 |
| 30 |
37 |
|
[SO4]A:426 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
14315 |
93.0 |
-12.9 |
0.905 |
6 |
0 |
0 |
0.530 |
| 31 |
38 |
|
[DHF]A:428 |
11 |
1 |
668 |
◊ |
H |
-x+2,y-1/2,-z+1 |
2_746 |
11 |
4 |
11575 |
90.7 |
1.6 |
0.619 |
3 |
0 |
0 |
0.000 |
| 32 |
39 |
|
[NAG]A:423 |
10 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
11 |
3 |
14315 |
88.7 |
2.1 |
0.333 |
0 |
0 |
0 |
0.000 |
| 33 |
40 |
|
[NAG]B:403 |
9 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
14966 |
88.5 |
0.2 |
0.126 |
0 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[NAG]A:408 |
9 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
14315 |
86.4 |
0.2 |
0.125 |
0 |
0 |
0 |
0.000 |
| 35 |
42 |
|
[SO4]C:301 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11195 |
85.5 |
-12.5 |
0.795 |
2 |
0 |
0 |
0.334 |
| 36 |
43 |
|
[SO4]B:417 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
14966 |
84.1 |
-11.5 |
0.853 |
2 |
0 |
0 |
0.423 |
| 37 |
44 |
|
[NAG]B:401 |
9 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
14966 |
83.7 |
2.2 |
0.378 |
0 |
0 |
0 |
0.000 |
| 38 |
45 |
|
[SO4]H:301 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
10 |
6 |
11575 |
83.7 |
-12.2 |
0.813 |
4 |
0 |
0 |
0.255 |
| 39 |
46 |
|
A |
7 |
3 |
14315 |
◊ |
L |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
2 |
11323 |
83.4 |
-0.7 |
0.414 |
1 |
0 |
0 |
0.012 |
| 40 |
47 |
|
[NAG]A:401 |
9 |
1 |
351 |
cf |
A |
x,y,z |
1_555 |
7 |
3 |
14315 |
82.7 |
2.0 |
0.315 |
0 |
0 |
0 |
0.000 |
| 41 |
48 |
|
[MAN]A:420 |
7 |
1 |
294 |
◊ |
H |
-x+3,y-1/2,-z+1 |
2_846 |
9 |
3 |
11575 |
81.8 |
0.6 |
0.252 |
1 |
0 |
0 |
0.000 |
| 42 |
49 |
|
[SO4]A:427 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
14315 |
80.8 |
-11.0 |
0.846 |
4 |
0 |
0 |
0.436 |
| 43 |
50 |
|
[SO4]B:418 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
14966 |
80.0 |
-9.8 |
0.923 |
2 |
0 |
0 |
0.366 |
| 44 |
51 |
|
[NAG]B:414 |
10 |
1 |
364 |
cf |
[NAG]B:413 |
x,y,z |
1_555 |
7 |
1 |
361 |
79.4 |
2.2 |
0.091 |
1 |
0 |
0 |
0.000 |
| 45 |
52 |
|
[NAG]B:409 |
9 |
1 |
363 |
cf |
[NAG]B:408 |
x,y,z |
1_555 |
7 |
1 |
366 |
78.3 |
1.7 |
0.098 |
1 |
0 |
0 |
0.000 |
| 46 |
53 |
|
[SO4]A:424 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
8 |
14966 |
76.9 |
-10.0 |
0.662 |
0 |
0 |
0 |
0.340 |
| 47 |
54 |
|
[NAG]A:414 |
10 |
1 |
366 |
cf |
[NAG]A:413 |
x,y,z |
1_555 |
7 |
1 |
363 |
75.5 |
1.7 |
0.086 |
1 |
0 |
0 |
0.000 |
| 48 |
55 |
|
[NAG]A:405 |
10 |
1 |
362 |
cf |
[NAG]A:404 |
x,y,z |
1_555 |
7 |
1 |
360 |
73.2 |
1.6 |
0.091 |
0 |
0 |
0 |
0.000 |
| 49 |
56 |
|
[NAG]A:408 |
10 |
1 |
361 |
cf |
[NAG]A:407 |
x,y,z |
1_555 |
6 |
1 |
361 |
73.1 |
1.7 |
0.092 |
0 |
0 |
0 |
0.000 |
57 |
|
[NAG]B:403 |
10 |
1 |
365 |
cf |
[NAG]B:402 |
x,y,z |
1_555 |
6 |
1 |
362 |
72.1 |
1.6 |
0.085 |
0 |
0 |
0 |
0.000 |
| Average: |
72.6 |
1.7 |
0.088 |
0 |
0 |
0 |
0.000 |
| 50 |
58 |
|
[NAG]A:422 |
9 |
1 |
357 |
cf |
[NAG]A:421 |
x,y,z |
1_555 |
6 |
1 |
362 |
72.8 |
1.8 |
0.115 |
0 |
0 |
0 |
0.000 |
| 51 |
59 |
|
B |
11 |
3 |
14966 |
◊ |
[NAG]B:408 |
-x+3,y-1/2,-z+1 |
2_846 |
6 |
1 |
366 |
72.3 |
1.9 |
0.466 |
0 |
0 |
0 |
0.000 |
| 52 |
60 |
|
[MAN]A:417 |
7 |
1 |
293 |
◊ |
L |
-x+3,y-3/2,-z+1 |
2_836 |
9 |
4 |
11323 |
72.2 |
0.4 |
0.231 |
2 |
0 |
0 |
0.003 |
| 53 |
61 |
|
[MAN]A:420 |
8 |
1 |
294 |
cf |
[MAN]A:418 |
x,y,z |
1_555 |
6 |
1 |
292 |
69.1 |
2.4 |
0.149 |
1 |
0 |
0 |
0.000 |
| 54 |
62 |
|
[SO4]A:424 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
14315 |
67.9 |
-9.6 |
0.705 |
2 |
0 |
0 |
0.357 |
| 55 |
63 |
|
[NAG]A:412 |
8 |
1 |
361 |
cf |
[NAG]A:411 |
x,y,z |
1_555 |
6 |
1 |
362 |
67.7 |
1.3 |
0.095 |
0 |
0 |
0 |
0.000 |
64 |
|
[NAG]B:407 |
7 |
1 |
360 |
cf |
[NAG]B:406 |
x,y,z |
1_555 |
6 |
1 |
364 |
66.8 |
1.9 |
0.154 |
0 |
0 |
0 |
0.000 |
| Average: |
67.3 |
1.6 |
0.124 |
0 |
0 |
0 |
0.000 |
| 56 |
65 |
|
C |
8 |
3 |
11195 |
◊ |
[NAG]A:405 |
-x+2,y-1/2,-z |
2_745 |
6 |
1 |
362 |
66.8 |
0.8 |
0.301 |
0 |
0 |
0 |
0.000 |
| 57 |
66 |
|
[MAN]A:418 |
7 |
1 |
292 |
cf |
[BMA]A:415 |
x,y,z |
1_555 |
4 |
1 |
289 |
64.6 |
2.7 |
0.282 |
0 |
0 |
0 |
0.000 |
| 58 |
67 |
|
[MAN]B:412 |
6 |
1 |
293 |
cf |
[BMA]B:410 |
x,y,z |
1_555 |
6 |
1 |
290 |
63.7 |
2.4 |
0.197 |
1 |
0 |
0 |
0.000 |
| 59 |
68 |
|
[BMA]A:406 |
7 |
1 |
293 |
cf |
[NAG]A:405 |
x,y,z |
1_555 |
5 |
1 |
362 |
62.6 |
1.3 |
0.116 |
1 |
0 |
0 |
0.000 |
69 |
|
[BMA]A:409 |
6 |
1 |
290 |
cf |
[NAG]A:408 |
x,y,z |
1_555 |
6 |
1 |
361 |
60.8 |
1.2 |
0.117 |
0 |
0 |
0 |
0.000 |
| Average: |
61.7 |
1.3 |
0.116 |
1 |
0 |
0 |
0.000 |
| 60 |
70 |
|
D |
8 |
3 |
11388 |
◊ |
[MAN]A:416 |
-x+3,y-1/2,-z |
2_845 |
5 |
1 |
287 |
62.1 |
1.4 |
0.338 |
3 |
0 |
0 |
0.000 |
| 61 |
71 |
|
[SO4]C:302 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
11195 |
62.0 |
-8.2 |
0.769 |
1 |
0 |
0 |
0.216 |
| 62 |
72 |
|
[BMA]B:404 |
9 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
8 |
1 |
14966 |
61.8 |
0.9 |
0.148 |
0 |
0 |
0 |
0.000 |
| 63 |
73 |
|
[BMA]B:404 |
6 |
1 |
291 |
cf |
[NAG]B:403 |
x,y,z |
1_555 |
6 |
1 |
365 |
61.6 |
1.5 |
0.135 |
1 |
0 |
0 |
0.000 |
| 64 |
74 |
|
[NAG]A:402 |
8 |
1 |
352 |
cf |
[NAG]A:401 |
x,y,z |
1_555 |
6 |
1 |
351 |
61.5 |
0.9 |
0.070 |
0 |
0 |
0 |
0.000 |
| 65 |
75 |
|
[MAN]B:411 |
6 |
1 |
292 |
cf |
[BMA]B:410 |
x,y,z |
1_555 |
5 |
1 |
290 |
61.3 |
2.7 |
0.281 |
0 |
0 |
0 |
0.000 |
| 66 |
76 |
|
[BMA]A:415 |
6 |
1 |
289 |
cf |
[NAG]A:414 |
x,y,z |
1_555 |
5 |
1 |
366 |
61.2 |
1.3 |
0.112 |
0 |
0 |
0 |
0.000 |
77 |
|
[BMA]B:410 |
6 |
1 |
290 |
cf |
[NAG]B:409 |
x,y,z |
1_555 |
4 |
1 |
363 |
57.0 |
0.9 |
0.113 |
0 |
0 |
0 |
0.000 |
| Average: |
59.1 |
1.1 |
0.112 |
0 |
0 |
0 |
0.000 |
| 67 |
78 |
|
D |
6 |
3 |
11388 |
◊ |
[SO4]C:302 |
-x+2,y-1/2,-z |
2_745 |
4 |
1 |
185 |
61.1 |
-7.9 |
0.856 |
1 |
0 |
0 |
0.209 |
| 68 |
79 |
|
[BMA]A:403 |
6 |
1 |
292 |
cf |
[NAG]A:402 |
x,y,z |
1_555 |
6 |
1 |
352 |
60.6 |
1.6 |
0.160 |
0 |
0 |
0 |
0.000 |
| 69 |
80 |
|
D |
8 |
4 |
11388 |
◊ |
[SO4]C:301 |
-x+2,y-1/2,-z |
2_745 |
4 |
1 |
185 |
59.9 |
-8.5 |
0.626 |
1 |
0 |
0 |
0.224 |
| 70 |
81 |
|
[BMA]A:409 |
8 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
8 |
1 |
14315 |
58.2 |
0.9 |
0.205 |
0 |
0 |
0 |
0.000 |
| 71 |
82 |
|
[MAN]A:417 |
6 |
1 |
293 |
cf |
[MAN]A:416 |
x,y,z |
1_555 |
5 |
1 |
287 |
57.7 |
2.7 |
0.292 |
0 |
0 |
0 |
0.000 |
| 72 |
83 |
|
[MAN]A:419 |
6 |
1 |
289 |
cf |
[MAN]A:418 |
x,y,z |
1_555 |
5 |
1 |
292 |
57.3 |
2.4 |
0.230 |
0 |
0 |
0 |
0.000 |
| 73 |
84 |
|
[MAN]A:416 |
6 |
1 |
287 |
cf |
[BMA]A:415 |
x,y,z |
1_555 |
6 |
1 |
289 |
56.9 |
2.5 |
0.209 |
0 |
0 |
0 |
0.000 |
| 74 |
85 |
|
[SO4]A:425 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14315 |
47.2 |
-4.7 |
0.955 |
2 |
0 |
0 |
0.191 |
| 75 |
86 |
|
[SO4]B:416 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
14966 |
46.4 |
-4.9 |
0.971 |
2 |
0 |
0 |
0.197 |
| 76 |
87 |
|
D |
8 |
2 |
11388 |
◊ |
[MAN]A:417 |
-x+3,y-1/2,-z |
2_845 |
5 |
1 |
293 |
45.8 |
1.3 |
0.466 |
0 |
0 |
0 |
0.000 |
| 77 |
88 |
|
[NAG]B:401 |
9 |
1 |
361 |
◊ |
H |
-x+3,y-1/2,-z+1 |
2_846 |
5 |
3 |
11575 |
45.1 |
0.9 |
0.209 |
0 |
0 |
0 |
0.000 |
| 78 |
89 |
|
[MAN]A:419 |
4 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
14315 |
43.4 |
0.5 |
0.363 |
1 |
0 |
0 |
0.000 |
| 79 |
90 |
|
[SO4]B:416 |
4 |
1 |
185 |
f |
[NAG]B:407 |
x,y,z |
1_555 |
6 |
1 |
360 |
43.3 |
-4.9 |
0.431 |
0 |
0 |
0 |
0.168 |
| 80 |
91 |
|
[SO4]A:425 |
4 |
1 |
185 |
f |
[NAG]A:412 |
x,y,z |
1_555 |
5 |
1 |
361 |
41.1 |
-4.3 |
0.484 |
0 |
0 |
0 |
0.147 |
| 81 |
92 |
|
[BMA]A:415 |
4 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
14315 |
38.5 |
0.4 |
0.253 |
0 |
0 |
0 |
0.000 |
| 82 |
93 |
|
[MAN]A:416 |
6 |
1 |
287 |
◊ |
L |
-x+3,y-3/2,-z+1 |
2_836 |
6 |
2 |
11323 |
37.8 |
0.0 |
0.211 |
1 |
0 |
0 |
0.003 |
| 83 |
94 |
|
[SO4]B:418 |
4 |
1 |
187 |
f |
[NAG]B:406 |
x,y,z |
1_555 |
5 |
1 |
364 |
37.5 |
-3.3 |
0.482 |
0 |
0 |
0 |
0.113 |
| 84 |
95 |
|
B |
3 |
2 |
14966 |
◊ |
[NAG]B:409 |
-x+3,y-1/2,-z+1 |
2_846 |
4 |
1 |
363 |
36.5 |
0.1 |
0.154 |
0 |
0 |
0 |
0.000 |
| 85 |
96 |
|
[BMA]B:410 |
4 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
14966 |
36.3 |
0.7 |
0.410 |
0 |
0 |
0 |
0.000 |
| 86 |
97 |
|
C |
2 |
1 |
11195 |
◊ |
[BMA]A:406 |
-x+2,y-1/2,-z |
2_745 |
3 |
1 |
293 |
35.5 |
0.5 |
0.326 |
1 |
0 |
0 |
0.000 |
| 87 |
98 |
|
C |
4 |
1 |
11195 |
◊ |
[NAG]A:404 |
-x+2,y-1/2,-z |
2_745 |
5 |
1 |
360 |
34.9 |
0.0 |
0.220 |
0 |
0 |
0 |
0.000 |
| 88 |
99 |
|
[SO4]B:416 |
4 |
1 |
185 |
f |
[NAG]B:406 |
x,y,z |
1_555 |
4 |
1 |
364 |
34.4 |
-3.0 |
0.482 |
1 |
0 |
0 |
0.119 |
| 89 |
100 |
|
[MAN]A:417 |
4 |
1 |
293 |
f |
[BMA]A:415 |
x,y,z |
1_555 |
3 |
1 |
289 |
31.4 |
0.6 |
0.145 |
0 |
0 |
0 |
0.000 |
| 90 |
101 |
|
[SO4]A:425 |
3 |
1 |
185 |
f |
[NAG]A:411 |
x,y,z |
1_555 |
4 |
1 |
362 |
31.2 |
-3.7 |
0.481 |
1 |
0 |
0 |
0.142 |
| 91 |
102 |
|
[MAN]A:418 |
3 |
1 |
292 |
f |
[MAN]A:417 |
x,y,z |
1_555 |
3 |
1 |
293 |
30.0 |
1.5 |
0.316 |
0 |
0 |
0 |
0.000 |
| 92 |
103 |
|
A |
3 |
1 |
14315 |
◊ |
[SO4]H:301 |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
1 |
185 |
30.0 |
-3.8 |
0.408 |
0 |
0 |
0 |
0.042 |
| 93 |
104 |
|
[NAG]B:407 |
2 |
1 |
360 |
f |
B |
x,y,z |
1_555 |
6 |
1 |
14966 |
29.0 |
0.5 |
0.443 |
0 |
0 |
0 |
0.000 |
| 94 |
105 |
|
[NAG]B:413 |
2 |
1 |
361 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
3 |
1 |
14966 |
28.7 |
1.0 |
0.750 |
0 |
0 |
0 |
0.000 |
| 95 |
106 |
|
[MAN]B:411 |
3 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
14966 |
27.6 |
1.0 |
0.520 |
1 |
0 |
0 |
0.000 |
| 96 |
107 |
|
[MAN]A:419 |
3 |
1 |
289 |
f |
[BMA]A:415 |
x,y,z |
1_555 |
4 |
1 |
289 |
26.5 |
1.6 |
0.270 |
0 |
0 |
0 |
0.000 |
| 97 |
108 |
|
[NAG]A:405 |
2 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
14315 |
26.4 |
1.0 |
0.562 |
0 |
0 |
0 |
0.000 |
| 98 |
109 |
|
[MAN]B:411 |
4 |
1 |
292 |
f |
[NAG]B:409 |
x,y,z |
1_555 |
4 |
1 |
363 |
21.2 |
0.3 |
0.112 |
0 |
0 |
0 |
0.000 |
| 99 |
110 |
|
D |
2 |
1 |
11388 |
◊ |
[NAG]A:422 |
-x+3,y-1/2,-z |
2_845 |
2 |
1 |
357 |
20.1 |
0.8 |
0.602 |
0 |
0 |
0 |
0.000 |
| 100 |
111 |
|
[MAN]A:420 |
4 |
1 |
294 |
f |
[MAN]A:417 |
x,y,z |
1_555 |
3 |
1 |
293 |
18.5 |
0.5 |
0.183 |
0 |
0 |
0 |
0.000 |
| 101 |
112 |
|
[NAG]B:414 |
1 |
1 |
364 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
2 |
1 |
14966 |
14.4 |
0.7 |
0.815 |
0 |
0 |
0 |
0.000 |
| 102 |
113 |
|
C |
2 |
1 |
11195 |
◊ |
H |
x,y-2,z-1 |
1_534 |
1 |
1 |
11575 |
11.1 |
-0.1 |
0.408 |
0 |
0 |
0 |
0.000 |
| 103 |
114 |
|
[NAG]B:413 |
2 |
1 |
361 |
f |
[NAG]B:406 |
x,y,z |
1_555 |
1 |
1 |
364 |
9.2 |
0.2 |
0.241 |
0 |
0 |
0 |
0.000 |
| 104 |
115 |
|
D |
1 |
1 |
11388 |
◊ |
[NAG]A:421 |
-x+3,y-1/2,-z |
2_845 |
4 |
1 |
362 |
8.6 |
0.4 |
0.342 |
0 |
0 |
0 |
0.000 |
| 105 |
116 |
|
[MAN]B:412 |
1 |
1 |
293 |
f |
[MAN]B:411 |
x,y,z |
1_555 |
3 |
1 |
292 |
7.5 |
0.3 |
0.204 |
0 |
0 |
0 |
0.000 |
| 106 |
117 |
|
[NAG]B:415 |
2 |
1 |
355 |
◊ |
L |
-x+3,y-1/2,-z+1 |
2_846 |
1 |
1 |
11323 |
6.4 |
0.2 |
0.408 |
0 |
0 |
0 |
0.000 |
| 107 |
118 |
|
[NAG]A:421 |
1 |
1 |
362 |
f |
[NAG]A:411 |
x,y,z |
1_555 |
1 |
1 |
362 |
6.0 |
0.1 |
0.143 |
0 |
0 |
0 |
0.000 |
| 108 |
119 |
|
[NAG]A:412 |
1 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
14315 |
5.9 |
0.1 |
0.371 |
0 |
0 |
0 |
0.000 |
| 109 |
120 |
|
[MAN]A:418 |
2 |
1 |
292 |
f |
[NAG]A:414 |
x,y,z |
1_555 |
1 |
1 |
366 |
4.9 |
0.2 |
0.188 |
0 |
0 |
0 |
0.000 |
| 110 |
121 |
|
[MAN]A:418 |
3 |
1 |
292 |
f |
[MAN]A:416 |
x,y,z |
1_555 |
2 |
1 |
287 |
4.7 |
0.3 |
0.205 |
0 |
0 |
0 |
0.000 |
| 111 |
122 |
|
[SO4]B:418 |
1 |
1 |
187 |
f |
[NAG]B:413 |
x,y,z |
1_555 |
1 |
1 |
361 |
3.9 |
-0.4 |
0.378 |
0 |
0 |
0 |
0.014 |
| 112 |
123 |
|
B |
1 |
1 |
14966 |
◊ |
[BMA]B:410 |
-x+3,y-1/2,-z+1 |
2_846 |
1 |
1 |
290 |
2.9 |
0.1 |
0.264 |
0 |
0 |
0 |
0.000 |
| 113 |
124 |
|
[MAN]A:416 |
1 |
1 |
287 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
14315 |
2.1 |
0.1 |
0.369 |
0 |
0 |
0 |
0.000 |
| 114 |
125 |
|
[MAN]A:420 |
1 |
1 |
294 |
f |
[BMA]A:415 |
x,y,z |
1_555 |
1 |
1 |
289 |
2.1 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
| 115 |
126 |
|
[MAN]A:416 |
2 |
1 |
287 |
f |
[NAG]A:414 |
x,y,z |
1_555 |
1 |
1 |
366 |
2.0 |
0.0 |
0.188 |
0 |
0 |
0 |
0.000 |
| 116 |
127 |
|
C |
1 |
1 |
11195 |
◊ |
L |
x,y-2,z-1 |
1_534 |
1 |
1 |
11323 |
0.7 |
0.0 |
0.657 |
0 |
0 |
0 |
0.000 |
| 117 |
128 |
|
[MAN]B:412 |
1 |
1 |
293 |
f |
[NAG]B:409 |
x,y,z |
1_555 |
1 |
1 |
363 |
0.3 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 118 |
129 |
|
[BMA]A:415 |
1 |
1 |
289 |
◊ |
L |
-x+3,y-3/2,-z+1 |
2_836 |
1 |
1 |
11323 |
0.2 |
0.0 |
0.330 |
0 |
0 |
0 |
0.000 |
| 119 |
130 |
|
[MAN]B:412 |
1 |
1 |
293 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
1 |
1 |
14966 |
0.1 |
-0.0 |
0.336 |
0 |
0 |
0 |
0.000 |
|