## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
M |
467 |
115 |
18744 |
◊ |
L |
x,y,z |
1_555 |
460 |
108 |
17531 |
4098.5 |
-64.6 |
0.889 |
50 |
12 |
0 |
0.423 |
2 |
|
M |
258 |
62 |
18744 |
◊ |
H |
x,y,z |
1_555 |
278 |
80 |
14469 |
2588.6 |
-20.4 |
0.833 |
37 |
13 |
0 |
0.413 |
3 |
|
L |
154 |
38 |
17531 |
◊ |
H |
x,y,z |
1_555 |
175 |
55 |
14469 |
1489.2 |
-16.2 |
0.757 |
17 |
2 |
0 |
0.387 |
4 |
|
[SPO]M:1316 |
41 |
1 |
1153 |
f |
M |
x,y,z |
1_555 |
101 |
29 |
18744 |
737.9 |
-8.7 |
0.484 |
1 |
0 |
0 |
0.134 |
5 |
|
[BCL]M:1305 |
58 |
1 |
1361 |
f |
M |
x,y,z |
1_555 |
78 |
30 |
18744 |
560.0 |
-10.4 |
0.460 |
1 |
0 |
0 |
0.159 |
6 |
|
[BCL]L:1287 |
57 |
1 |
1335 |
f |
L |
x,y,z |
1_555 |
89 |
28 |
17531 |
537.7 |
-8.6 |
0.657 |
2 |
0 |
0 |
0.153 |
7 |
|
[CDL]M:1317 |
48 |
1 |
1769 |
◊ |
M |
x,y,z |
1_555 |
65 |
16 |
18744 |
520.0 |
-9.8 |
0.698 |
5 |
0 |
0 |
0.176 |
8 |
|
[BPH]L:1285 |
50 |
1 |
1350 |
◊ |
L |
x,y,z |
1_555 |
85 |
28 |
17531 |
511.8 |
-5.9 |
0.765 |
1 |
0 |
0 |
0.030 |
9 |
|
[BPH]M:1314 |
46 |
1 |
1335 |
◊ |
M |
x,y,z |
1_555 |
69 |
20 |
18744 |
470.7 |
-5.7 |
0.648 |
1 |
0 |
0 |
0.029 |
10 |
|
[U10]M:1315 |
37 |
1 |
1169 |
f |
M |
x,y,z |
1_555 |
69 |
20 |
18744 |
433.4 |
-6.2 |
0.806 |
2 |
0 |
0 |
0.103 |
11 |
|
[BCL]M:1304 |
41 |
1 |
1178 |
f |
M |
x,y,z |
1_555 |
40 |
16 |
18744 |
367.2 |
-9.8 |
0.148 |
0 |
0 |
0 |
0.143 |
12 |
|
L |
35 |
10 |
17531 |
◊ |
H |
-y+1,x-y+1,z+1/3 |
2_665 |
39 |
13 |
14469 |
362.9 |
-3.0 |
0.774 |
4 |
0 |
0 |
0.000 |
13 |
|
[CDL]M:1317 |
33 |
1 |
1769 |
◊ |
H |
x,y,z |
1_555 |
42 |
10 |
14469 |
316.0 |
-5.3 |
0.504 |
0 |
0 |
0 |
0.047 |
14 |
|
H |
34 |
14 |
14469 |
◊ |
M |
-x+1,-x+y,-z+1/3 |
6_655 |
29 |
9 |
18744 |
308.0 |
-1.4 |
0.822 |
5 |
0 |
0 |
0.000 |
15 |
|
[BCL]L:1282 |
43 |
1 |
1196 |
f |
L |
x,y,z |
1_555 |
45 |
12 |
17531 |
302.5 |
-8.1 |
0.344 |
0 |
0 |
0 |
0.130 |
16 |
|
[UQ2]L:1286 |
21 |
1 |
582 |
f |
L |
x,y,z |
1_555 |
49 |
17 |
17531 |
291.0 |
-3.7 |
0.725 |
1 |
0 |
0 |
0.066 |
17 |
|
M |
27 |
13 |
18744 |
◊ |
L |
-x+1,-x+y,-z+1/3 |
6_655 |
28 |
9 |
17531 |
269.4 |
-4.4 |
0.496 |
1 |
0 |
0 |
0.003 |
18 |
|
[BPH]M:1314 |
30 |
1 |
1335 |
f |
L |
x,y,z |
1_555 |
27 |
9 |
17531 |
249.7 |
-8.0 |
0.211 |
0 |
0 |
0 |
0.128 |
19 |
|
[U10]M:1315 |
16 |
1 |
1169 |
◊ |
L |
x,y,z |
1_555 |
38 |
11 |
17531 |
243.9 |
-6.6 |
0.499 |
0 |
0 |
0 |
0.031 |
20 |
|
[BPH]L:1285 |
24 |
1 |
1350 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
34 |
1 |
1196 |
228.7 |
-0.5 |
0.675 |
0 |
0 |
0 |
0.002 |
21 |
|
[BCL]M:1304 |
28 |
1 |
1178 |
◊ |
L |
x,y,z |
1_555 |
32 |
8 |
17531 |
227.3 |
-3.8 |
0.570 |
2 |
0 |
0 |
0.023 |
22 |
|
[BPH]L:1285 |
35 |
1 |
1350 |
f |
M |
x,y,z |
1_555 |
35 |
10 |
18744 |
221.6 |
-7.4 |
0.241 |
0 |
0 |
0 |
0.108 |
23 |
|
[LDA]M:1307 |
15 |
1 |
522 |
◊ |
M |
x,y,z |
1_555 |
32 |
7 |
18744 |
216.9 |
1.7 |
0.425 |
0 |
0 |
0 |
0.000 |
24 |
|
[BPH]M:1314 |
37 |
1 |
1335 |
◊ |
[BCL]M:1305 |
x,y,z |
1_555 |
21 |
1 |
1361 |
216.4 |
1.0 |
0.815 |
0 |
0 |
0 |
0.000 |
25 |
|
[BCL]L:1282 |
27 |
1 |
1196 |
◊ |
M |
x,y,z |
1_555 |
33 |
9 |
18744 |
212.7 |
-2.5 |
0.578 |
0 |
0 |
0 |
0.012 |
26 |
|
[LDA]L:1283 |
14 |
1 |
511 |
f |
L |
x,y,z |
1_555 |
28 |
9 |
17531 |
204.4 |
-1.0 |
0.256 |
0 |
0 |
0 |
0.015 |
27 |
|
[LDA]M:1306 |
14 |
1 |
527 |
f |
M |
x,y,z |
1_555 |
26 |
9 |
18744 |
193.0 |
-1.6 |
0.158 |
0 |
0 |
0 |
0.023 |
28 |
|
[HTO]L:1289 |
10 |
1 |
322 |
f |
L |
x,y,z |
1_555 |
27 |
9 |
17531 |
188.2 |
3.5 |
0.152 |
0 |
0 |
0 |
0.000 |
29 |
|
[LDA]L:1284 |
14 |
1 |
495 |
f |
L |
x,y,z |
1_555 |
23 |
8 |
17531 |
180.4 |
0.7 |
0.335 |
0 |
0 |
0 |
0.000 |
30 |
|
[BCL]L:1287 |
24 |
1 |
1335 |
f |
[BCL]L:1282 |
x,y,z |
1_555 |
21 |
1 |
1196 |
176.4 |
0.0 |
0.693 |
0 |
0 |
0 |
0.000 |
31 |
|
[BCL]L:1287 |
20 |
1 |
1335 |
◊ |
[BPH]L:1285 |
x,y,z |
1_555 |
36 |
1 |
1350 |
175.8 |
-0.2 |
0.730 |
0 |
0 |
0 |
0.001 |
32 |
|
[LDA]M:1308 |
11 |
1 |
502 |
f |
H |
x,y,z |
1_555 |
24 |
9 |
14469 |
169.6 |
-0.3 |
0.290 |
1 |
0 |
0 |
0.018 |
33 |
|
[BCL]M:1305 |
25 |
1 |
1361 |
f |
[BCL]M:1304 |
x,y,z |
1_555 |
22 |
1 |
1178 |
168.3 |
-0.4 |
0.710 |
0 |
0 |
0 |
0.005 |
34 |
|
[SPO]M:1316 |
20 |
1 |
1153 |
f |
[BCL]M:1304 |
x,y,z |
1_555 |
22 |
1 |
1178 |
161.9 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.002 |
35 |
|
[LDA]M:1312 |
14 |
1 |
482 |
◊ |
L |
x,y,z |
1_555 |
20 |
7 |
17531 |
155.9 |
0.7 |
0.321 |
0 |
0 |
0 |
0.000 |
36 |
|
H |
16 |
7 |
14469 |
◊ |
H |
y,x,-z |
4_555 |
16 |
7 |
14469 |
152.0 |
-2.5 |
0.414 |
3 |
0 |
0 |
0.000 |
37 |
|
H |
20 |
6 |
14469 |
◊ |
L |
-x+1,-x+y,-z+1/3 |
6_655 |
18 |
7 |
17531 |
151.4 |
-1.4 |
0.701 |
0 |
0 |
0 |
0.000 |
38 |
|
[BCL]M:1305 |
28 |
1 |
1361 |
◊ |
[BCL]L:1287 |
x,y,z |
1_555 |
28 |
1 |
1335 |
149.7 |
-3.3 |
0.538 |
0 |
0 |
0 |
0.016 |
39 |
|
[LDA]M:1310 |
12 |
1 |
514 |
◊ |
M |
x,y,z |
1_555 |
19 |
8 |
18744 |
148.5 |
1.9 |
0.436 |
0 |
0 |
0 |
0.000 |
40 |
|
[LDA]M:1311 |
12 |
1 |
515 |
f |
M |
x,y,z |
1_555 |
15 |
5 |
18744 |
142.0 |
0.1 |
0.191 |
0 |
0 |
0 |
0.000 |
41 |
|
[BCL]M:1305 |
19 |
1 |
1361 |
◊ |
L |
x,y,z |
1_555 |
23 |
8 |
17531 |
133.5 |
-2.0 |
0.648 |
0 |
0 |
0 |
0.010 |
42 |
|
[BPH]M:1314 |
11 |
1 |
1335 |
◊ |
[BCL]M:1304 |
x,y,z |
1_555 |
21 |
1 |
1178 |
127.9 |
-0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
43 |
|
[BPH]M:1314 |
16 |
1 |
1335 |
◊ |
[LDA]M:1311 |
x,y,z |
1_555 |
10 |
1 |
515 |
120.9 |
0.8 |
0.315 |
0 |
0 |
0 |
0.000 |
44 |
|
[LDA]M:1308 |
13 |
1 |
502 |
◊ |
M |
x,y,z |
1_555 |
14 |
5 |
18744 |
114.2 |
1.9 |
0.437 |
1 |
0 |
0 |
0.000 |
45 |
|
[LDA]M:1306 |
11 |
1 |
527 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
14469 |
113.9 |
-0.6 |
0.136 |
0 |
0 |
0 |
0.006 |
46 |
|
[GOL]L:1291 |
6 |
1 |
221 |
f |
L |
x,y,z |
1_555 |
16 |
8 |
17531 |
104.9 |
-1.3 |
0.556 |
0 |
0 |
0 |
0.021 |
47 |
|
[BCL]L:1287 |
16 |
1 |
1335 |
◊ |
M |
x,y,z |
1_555 |
12 |
6 |
18744 |
104.5 |
-2.1 |
0.448 |
0 |
0 |
0 |
0.010 |
48 |
|
[LDA]M:1311 |
10 |
1 |
515 |
◊ |
[LDA]M:1310 |
x,y,z |
1_555 |
12 |
1 |
514 |
101.7 |
4.5 |
0.253 |
0 |
0 |
0 |
0.000 |
49 |
|
[LDA]M:1309 |
12 |
1 |
520 |
f |
[LDA]M:1308 |
x,y,z |
1_555 |
10 |
1 |
502 |
96.6 |
3.3 |
0.211 |
0 |
0 |
0 |
0.000 |
50 |
|
[U10]M:1315 |
11 |
1 |
1169 |
f |
[BPH]L:1285 |
x,y,z |
1_555 |
8 |
1 |
1350 |
95.7 |
-2.0 |
0.585 |
0 |
0 |
0 |
0.029 |
51 |
|
[GOL]H:1253 |
6 |
1 |
221 |
f |
H |
x,y,z |
1_555 |
14 |
5 |
14469 |
91.4 |
-2.1 |
0.325 |
0 |
0 |
0 |
0.051 |
52 |
|
[LDA]M:1306 |
10 |
1 |
527 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
12 |
1 |
1196 |
86.0 |
1.3 |
0.371 |
0 |
0 |
0 |
0.000 |
53 |
|
[GOL]H:1254 |
5 |
1 |
220 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
14469 |
83.4 |
-1.4 |
0.370 |
0 |
0 |
0 |
0.034 |
54 |
|
[CDL]M:1317 |
11 |
1 |
1769 |
◊ |
L |
x,y,z |
1_555 |
18 |
6 |
17531 |
80.9 |
0.1 |
0.881 |
0 |
0 |
0 |
0.000 |
55 |
|
[PO4]L:1288 |
5 |
1 |
188 |
f |
L |
x,y,z |
1_555 |
11 |
4 |
17531 |
80.0 |
-3.3 |
0.961 |
3 |
0 |
0 |
0.075 |
56 |
|
[LDA]M:1310 |
8 |
1 |
514 |
f |
L |
x,y,z |
1_555 |
9 |
3 |
17531 |
78.8 |
1.1 |
0.440 |
0 |
0 |
0 |
0.000 |
57 |
|
[LDA]M:1312 |
6 |
1 |
482 |
f |
[BCL]M:1304 |
x,y,z |
1_555 |
8 |
1 |
1178 |
74.9 |
-0.1 |
0.332 |
0 |
0 |
0 |
0.002 |
58 |
|
[LDA]M:1309 |
8 |
1 |
520 |
◊ |
M |
x,y,z |
1_555 |
10 |
4 |
18744 |
74.5 |
2.7 |
0.601 |
0 |
0 |
0 |
0.000 |
59 |
|
[GOL]H:1252 |
5 |
1 |
220 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
14469 |
73.5 |
0.6 |
0.747 |
2 |
0 |
0 |
0.005 |
60 |
|
[GOL]L:1290 |
5 |
1 |
223 |
f |
L |
x,y,z |
1_555 |
13 |
8 |
17531 |
72.2 |
0.1 |
0.696 |
2 |
0 |
0 |
0.013 |
61 |
|
[LDA]M:1309 |
3 |
1 |
520 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
14469 |
70.6 |
-1.5 |
0.170 |
0 |
0 |
0 |
0.037 |
62 |
|
[LDA]M:1309 |
8 |
1 |
520 |
◊ |
L |
x,y,z |
1_555 |
7 |
4 |
17531 |
68.4 |
0.5 |
0.276 |
0 |
0 |
0 |
0.000 |
63 |
|
[GOL]H:1255 |
5 |
1 |
218 |
f |
H |
x,y,z |
1_555 |
12 |
2 |
14469 |
65.8 |
-1.0 |
0.513 |
0 |
0 |
0 |
0.024 |
64 |
|
[GOL]L:1290 |
4 |
1 |
223 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
14469 |
62.4 |
-0.5 |
0.484 |
0 |
0 |
0 |
0.008 |
65 |
|
[UQ2]L:1286 |
5 |
1 |
582 |
◊ |
M |
x,y,z |
1_555 |
5 |
3 |
18744 |
61.9 |
-1.7 |
0.288 |
0 |
0 |
0 |
0.008 |
66 |
|
[U10]M:1315 |
5 |
1 |
1169 |
◊ |
[LDA]M:1309 |
x,y,z |
1_555 |
6 |
1 |
520 |
56.9 |
1.4 |
0.445 |
0 |
0 |
0 |
0.000 |
67 |
|
L |
6 |
2 |
17531 |
x |
L |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
1 |
17531 |
56.4 |
1.3 |
0.916 |
2 |
4 |
0 |
0.000 |
68 |
|
[GOL]M:1318 |
5 |
1 |
219 |
f |
L |
x,y,z |
1_555 |
8 |
3 |
17531 |
56.1 |
-1.0 |
0.468 |
0 |
0 |
0 |
0.017 |
69 |
|
[LDA]L:1283 |
8 |
1 |
511 |
f |
[BCL]L:1282 |
x,y,z |
1_555 |
6 |
1 |
1196 |
55.3 |
0.5 |
0.298 |
0 |
0 |
0 |
0.000 |
70 |
|
[UQ2]L:1286 |
6 |
1 |
582 |
f |
[LDA]M:1310 |
x,y,z |
1_555 |
6 |
1 |
514 |
54.2 |
-0.5 |
0.287 |
0 |
0 |
0 |
0.008 |
71 |
|
[LDA]M:1306 |
6 |
1 |
527 |
◊ |
[GOL]M:1318 |
x,y,z |
1_555 |
5 |
1 |
219 |
53.1 |
0.3 |
0.299 |
0 |
0 |
0 |
0.000 |
72 |
|
[U10]M:1315 |
8 |
1 |
1169 |
◊ |
[LDA]M:1308 |
x,y,z |
1_555 |
5 |
1 |
502 |
52.5 |
-0.2 |
0.356 |
0 |
0 |
0 |
0.002 |
73 |
|
[FE]M:1313 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
9 |
5 |
18744 |
47.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.128 |
74 |
|
M |
8 |
4 |
18744 |
◊ |
[PO4]L:1288 |
-x+1,-x+y,-z+1/3 |
6_655 |
4 |
1 |
188 |
47.4 |
-2.5 |
0.895 |
2 |
0 |
0 |
0.002 |
75 |
|
[BCL]L:1282 |
9 |
1 |
1196 |
f |
[GOL]M:1318 |
x,y,z |
1_555 |
3 |
1 |
219 |
46.6 |
-0.9 |
0.483 |
0 |
0 |
0 |
0.015 |
76 |
|
[FE]M:1313 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
17531 |
45.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.032 |
77 |
|
[U10]M:1315 |
9 |
1 |
1169 |
◊ |
[BCL]L:1287 |
x,y,z |
1_555 |
3 |
1 |
1335 |
45.1 |
-0.2 |
0.742 |
0 |
0 |
0 |
0.000 |
78 |
|
[BCL]L:1287 |
7 |
1 |
1335 |
◊ |
[BCL]M:1304 |
x,y,z |
1_555 |
6 |
1 |
1178 |
44.5 |
-1.3 |
0.451 |
0 |
0 |
0 |
0.006 |
79 |
|
[LDA]M:1311 |
5 |
1 |
515 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
17531 |
44.2 |
1.3 |
0.543 |
0 |
0 |
0 |
0.000 |
80 |
|
[CDL]M:1317 |
6 |
1 |
1769 |
◊ |
[GOL]H:1252 |
x,y,z |
1_555 |
4 |
1 |
220 |
43.4 |
0.5 |
0.652 |
1 |
0 |
0 |
0.000 |
81 |
|
[LDA]M:1312 |
4 |
1 |
482 |
f |
M |
x,y,z |
1_555 |
4 |
2 |
18744 |
39.2 |
0.7 |
0.365 |
0 |
0 |
0 |
0.000 |
82 |
|
[UQ2]L:1286 |
6 |
1 |
582 |
f |
[LDA]L:1284 |
x,y,z |
1_555 |
3 |
1 |
495 |
36.9 |
-0.0 |
0.346 |
0 |
0 |
0 |
0.000 |
83 |
|
H |
3 |
1 |
14469 |
◊ |
[PO4]L:1288 |
-x+1,-x+y,-z+1/3 |
6_655 |
3 |
1 |
188 |
35.2 |
-2.0 |
0.583 |
1 |
0 |
0 |
0.002 |
84 |
|
[LDA]M:1312 |
4 |
1 |
482 |
◊ |
[LDA]L:1284 |
x,y,z |
1_555 |
6 |
1 |
495 |
35.0 |
0.6 |
0.194 |
0 |
0 |
0 |
0.000 |
85 |
|
[GOL]H:1252 |
4 |
1 |
220 |
◊ |
M |
x,y,z |
1_555 |
8 |
2 |
18744 |
34.8 |
0.3 |
0.774 |
0 |
0 |
0 |
0.000 |
86 |
|
[U10]M:1315 |
4 |
1 |
1169 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
4 |
1 |
1196 |
34.6 |
0.5 |
0.727 |
0 |
0 |
0 |
0.000 |
87 |
|
[BCL]M:1305 |
8 |
1 |
1361 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
4 |
1 |
1196 |
33.7 |
-0.8 |
0.478 |
0 |
0 |
0 |
0.004 |
88 |
|
[LDA]M:1308 |
1 |
1 |
502 |
◊ |
[LDA]M:1306 |
x,y,z |
1_555 |
5 |
1 |
527 |
33.7 |
0.1 |
0.243 |
0 |
0 |
0 |
0.000 |
89 |
|
[LDA]L:1283 |
4 |
1 |
511 |
f |
[GOL]M:1318 |
x,y,z |
1_555 |
4 |
1 |
219 |
31.8 |
1.1 |
0.482 |
0 |
0 |
0 |
0.000 |
90 |
|
[GOL]L:1290 |
3 |
1 |
223 |
f |
[GOL]H:1252 |
x,y,z |
1_555 |
2 |
1 |
220 |
30.8 |
-0.3 |
0.517 |
0 |
0 |
0 |
0.006 |
91 |
|
[BCL]M:1305 |
3 |
1 |
1361 |
f |
[LDA]M:1311 |
x,y,z |
1_555 |
2 |
1 |
515 |
27.1 |
0.2 |
0.303 |
0 |
0 |
0 |
0.000 |
92 |
|
[BPH]L:1285 |
3 |
1 |
1350 |
◊ |
[LDA]L:1283 |
x,y,z |
1_555 |
2 |
1 |
511 |
27.0 |
-0.4 |
0.269 |
0 |
0 |
0 |
0.002 |
93 |
|
[CDL]M:1317 |
3 |
1 |
1769 |
◊ |
[GOL]H:1253 |
x,y,z |
1_555 |
2 |
1 |
221 |
26.1 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
94 |
|
[LDA]M:1307 |
2 |
1 |
522 |
f |
L |
x,y,z |
1_555 |
3 |
3 |
17531 |
25.8 |
-0.8 |
0.208 |
0 |
0 |
0 |
0.013 |
95 |
|
[UQ2]L:1286 |
3 |
1 |
582 |
f |
[LDA]M:1307 |
x,y,z |
1_555 |
1 |
1 |
522 |
25.0 |
0.3 |
0.470 |
0 |
0 |
0 |
0.000 |
96 |
|
[GOL]H:1255 |
2 |
1 |
218 |
f |
[GOL]H:1254 |
x,y,z |
1_555 |
3 |
1 |
220 |
24.5 |
-0.3 |
0.425 |
0 |
0 |
0 |
0.008 |
97 |
|
[BCL]L:1287 |
3 |
1 |
1335 |
◊ |
[LDA]M:1309 |
x,y,z |
1_555 |
3 |
1 |
520 |
22.1 |
-0.2 |
0.346 |
0 |
0 |
0 |
0.004 |
98 |
|
[CDL]M:1317 |
4 |
1 |
1769 |
◊ |
[GOL]L:1290 |
x,y,z |
1_555 |
2 |
1 |
223 |
21.0 |
0.3 |
0.566 |
0 |
0 |
0 |
0.000 |
99 |
|
[GOL]H:1252 |
4 |
1 |
220 |
f |
L |
x,y,z |
1_555 |
3 |
1 |
17531 |
20.6 |
0.3 |
0.762 |
1 |
0 |
0 |
0.003 |
100 |
|
[GOL]H:1254 |
2 |
1 |
220 |
f |
[GOL]H:1253 |
x,y,z |
1_555 |
3 |
1 |
221 |
20.3 |
-0.3 |
0.354 |
0 |
0 |
0 |
0.007 |
101 |
|
[LDA]L:1284 |
3 |
1 |
495 |
◊ |
[BCL]M:1304 |
x,y,z |
1_555 |
3 |
1 |
1178 |
20.1 |
0.4 |
0.416 |
0 |
0 |
0 |
0.000 |
102 |
|
[LDA]M:1306 |
2 |
1 |
527 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
17531 |
18.5 |
-0.6 |
0.213 |
0 |
0 |
0 |
0.003 |
103 |
|
[U10]M:1315 |
2 |
1 |
1169 |
f |
[LDA]M:1306 |
x,y,z |
1_555 |
3 |
1 |
527 |
14.2 |
0.0 |
0.368 |
0 |
0 |
0 |
0.000 |
104 |
|
[LDA]M:1307 |
1 |
1 |
522 |
f |
[LDA]L:1284 |
x,y,z |
1_555 |
2 |
1 |
495 |
11.8 |
0.1 |
0.330 |
0 |
0 |
0 |
0.000 |
105 |
|
[HTO]L:1289 |
3 |
1 |
322 |
f |
[GOL]L:1291 |
x,y,z |
1_555 |
1 |
1 |
221 |
10.2 |
0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
106 |
|
[GOL]M:1318 |
1 |
1 |
219 |
◊ |
[GOL]H:1255 |
x,y,z |
1_555 |
2 |
1 |
218 |
7.8 |
0.2 |
0.612 |
0 |
0 |
0 |
0.000 |
107 |
|
[GOL]M:1318 |
1 |
1 |
219 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
14469 |
5.4 |
-0.0 |
0.508 |
0 |
0 |
0 |
0.000 |
108 |
|
[U10]M:1315 |
1 |
1 |
1169 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
14469 |
3.9 |
0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
109 |
|
[LDA]L:1283 |
2 |
1 |
511 |
◊ |
[GOL]H:1255 |
x,y,z |
1_555 |
3 |
1 |
218 |
3.6 |
0.1 |
0.439 |
0 |
0 |
0 |
0.000 |
110 |
|
[LDA]M:1309 |
1 |
1 |
520 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
3 |
1 |
1196 |
2.7 |
0.0 |
0.427 |
0 |
0 |
0 |
0.000 |
111 |
|
[LDA]M:1308 |
2 |
1 |
502 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
2 |
1 |
1196 |
2.6 |
0.0 |
0.469 |
0 |
0 |
0 |
0.000 |
112 |
|
[BPH]M:1314 |
2 |
1 |
1335 |
f |
[LDA]M:1310 |
x,y,z |
1_555 |
1 |
1 |
514 |
2.5 |
-0.1 |
0.420 |
0 |
0 |
0 |
0.001 |
113 |
|
[U10]M:1315 |
1 |
1 |
1169 |
f |
[FE]M:1313 |
x,y,z |
1_555 |
1 |
1 |
137 |
2.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
114 |
|
[LDA]M:1306 |
1 |
1 |
527 |
◊ |
[GOL]H:1254 |
x,y,z |
1_555 |
1 |
1 |
220 |
0.6 |
0.0 |
0.365 |
0 |
0 |
0 |
0.000 |
115 |
|
[SPO]M:1316 |
1 |
1 |
1153 |
f |
[BCL]M:1305 |
x,y,z |
1_555 |
1 |
1 |
1361 |
0.4 |
0.0 |
0.677 |
0 |
0 |
0 |
0.000 |
|