## |
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 |
|
H |
274 |
67 |
16720 |
◊ |
G |
x,y,z |
1_555 |
273 |
66 |
16683 |
2590.7 |
-28.0 |
0.098 |
33 |
14 |
0 |
0.632 |
2 |
|
F |
275 |
66 |
16694 |
◊ |
E |
x,y,z |
1_555 |
270 |
65 |
16741 |
2586.2 |
-28.1 |
0.097 |
33 |
14 |
0 |
0.632 |
3 |
|
B |
272 |
65 |
16564 |
◊ |
A |
x,y,z |
1_555 |
269 |
65 |
16687 |
2582.1 |
-27.4 |
0.092 |
34 |
15 |
0 |
0.632 |
4 |
|
D |
276 |
65 |
16660 |
◊ |
C |
x,y,z |
1_555 |
274 |
65 |
16755 |
2582.0 |
-28.4 |
0.077 |
28 |
13 |
0 |
0.632 |
Average: |
2585.3 |
-28.0 |
0.091 |
32 |
14 |
0 |
0.632 |
2 |
5 |
|
H |
185 |
48 |
16720 |
◊ |
F |
x,y,z |
1_555 |
190 |
47 |
16694 |
1765.4 |
-10.6 |
0.488 |
39 |
12 |
0 |
0.391 |
6 |
|
C |
191 |
46 |
16755 |
◊ |
A |
x,y,z |
1_555 |
183 |
46 |
16687 |
1747.6 |
-8.7 |
0.547 |
40 |
12 |
0 |
0.391 |
7 |
|
E |
183 |
43 |
16741 |
◊ |
B |
x,y,z |
1_555 |
179 |
44 |
16564 |
1679.3 |
-9.1 |
0.515 |
42 |
13 |
0 |
0.391 |
8 |
|
G |
175 |
45 |
16683 |
◊ |
D |
x,y,z |
1_555 |
183 |
46 |
16660 |
1663.0 |
-7.6 |
0.618 |
39 |
12 |
0 |
0.391 |
Average: |
1713.8 |
-9.0 |
0.542 |
40 |
12 |
0 |
0.391 |
3 |
9 |
|
F |
58 |
19 |
16694 |
◊ |
B |
x,y,z |
1_555 |
70 |
23 |
16564 |
631.9 |
0.4 |
0.776 |
8 |
7 |
0 |
0.057 |
10 |
|
H |
58 |
19 |
16720 |
◊ |
D |
x,y,z |
1_555 |
73 |
23 |
16660 |
624.3 |
1.2 |
0.822 |
9 |
7 |
0 |
0.057 |
11 |
|
G |
75 |
24 |
16683 |
◊ |
C |
x,y,z |
1_555 |
63 |
20 |
16755 |
621.2 |
-0.8 |
0.710 |
8 |
6 |
0 |
0.057 |
12 |
|
H |
67 |
22 |
16720 |
◊ |
E |
x,y,z |
1_555 |
57 |
18 |
16741 |
620.5 |
0.5 |
0.773 |
8 |
7 |
0 |
0.057 |
13 |
|
D |
61 |
20 |
16660 |
◊ |
A |
x,y,z |
1_555 |
72 |
24 |
16687 |
619.3 |
0.2 |
0.762 |
8 |
6 |
0 |
0.057 |
14 |
|
C |
70 |
22 |
16755 |
◊ |
B |
x,y,z |
1_555 |
60 |
19 |
16564 |
615.8 |
1.4 |
0.816 |
9 |
6 |
0 |
0.057 |
15 |
|
E |
71 |
21 |
16741 |
◊ |
A |
x,y,z |
1_555 |
57 |
18 |
16687 |
598.6 |
1.1 |
0.818 |
8 |
6 |
0 |
0.057 |
16 |
|
G |
59 |
19 |
16683 |
◊ |
F |
x,y,z |
1_555 |
66 |
23 |
16694 |
588.5 |
1.0 |
0.814 |
8 |
7 |
0 |
0.057 |
Average: |
615.0 |
0.6 |
0.786 |
8 |
7 |
0 |
0.057 |
4 |
17 |
|
C |
56 |
22 |
16755 |
◊ |
F |
-x-1/2,y-1/2,-z |
3_445 |
54 |
21 |
16694 |
536.9 |
-5.4 |
0.204 |
1 |
1 |
0 |
0.000 |
18 |
|
G |
48 |
21 |
16683 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
56 |
22 |
16564 |
495.4 |
-6.3 |
0.177 |
0 |
0 |
0 |
0.000 |
Average: |
516.2 |
-5.8 |
0.190 |
1 |
1 |
0 |
0.000 |
5 |
19 |
|
G |
25 |
6 |
16683 |
◊ |
E |
x-1/2,-y+1/2,-z-1 |
4_454 |
24 |
10 |
16741 |
229.3 |
-0.1 |
0.577 |
5 |
1 |
0 |
0.004 |
20 |
|
C |
22 |
6 |
16755 |
◊ |
H |
-x-1/2,y-1/2,-z-1 |
3_444 |
25 |
9 |
16720 |
201.5 |
-0.2 |
0.524 |
6 |
0 |
0 |
0.004 |
Average: |
215.4 |
-0.1 |
0.551 |
6 |
1 |
0 |
0.004 |
6 |
21 |
|
G |
28 |
9 |
16683 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
25 |
6 |
16741 |
211.6 |
-0.2 |
0.588 |
2 |
0 |
0 |
0.000 |
22 |
|
A |
23 |
6 |
16687 |
◊ |
F |
-x-1/2,y-1/2,-z |
3_445 |
29 |
9 |
16694 |
194.4 |
0.1 |
0.642 |
3 |
0 |
0 |
0.000 |
Average: |
203.0 |
-0.0 |
0.615 |
3 |
0 |
0 |
0.000 |
7 |
23 |
|
A |
21 |
7 |
16687 |
◊ |
F |
-x-1/2,y-1/2,-z-1 |
3_444 |
23 |
6 |
16694 |
199.3 |
0.1 |
0.630 |
4 |
0 |
0 |
0.000 |
8 |
24 |
|
A |
21 |
10 |
16687 |
◊ |
H |
-x-1/2,y-1/2,-z-1 |
3_444 |
22 |
10 |
16720 |
192.5 |
-0.8 |
0.582 |
1 |
0 |
0 |
0.000 |
25 |
|
D |
19 |
8 |
16660 |
◊ |
E |
x-1/2,-y+1/2,-z-1 |
4_454 |
22 |
9 |
16741 |
173.0 |
-0.7 |
0.586 |
0 |
0 |
0 |
0.000 |
Average: |
182.7 |
-0.8 |
0.584 |
1 |
0 |
0 |
0.001 |
9 |
26 |
|
D |
18 |
5 |
16660 |
◊ |
C |
x,y,z-1 |
1_554 |
18 |
5 |
16755 |
154.6 |
0.4 |
0.697 |
1 |
2 |
0 |
0.000 |
27 |
|
A |
17 |
4 |
16687 |
◊ |
B |
x,y,z-1 |
1_554 |
16 |
4 |
16564 |
147.2 |
1.2 |
0.813 |
2 |
3 |
0 |
0.000 |
Average: |
150.9 |
0.8 |
0.755 |
2 |
3 |
0 |
0.000 |
10 |
28 |
|
H |
17 |
4 |
16720 |
◊ |
G |
x,y,z-1 |
1_554 |
16 |
4 |
16683 |
131.4 |
1.5 |
0.843 |
1 |
1 |
0 |
0.000 |
29 |
|
E |
15 |
4 |
16741 |
◊ |
F |
x,y,z-1 |
1_554 |
15 |
4 |
16694 |
127.8 |
1.3 |
0.804 |
1 |
1 |
0 |
0.000 |
Average: |
129.6 |
1.4 |
0.823 |
1 |
1 |
0 |
0.000 |
11 |
30 |
|
[SO4]B:1212 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
16564 |
123.6 |
-18.9 |
0.703 |
2 |
0 |
0 |
0.222 |
12 |
31 |
|
[SO4]E:1208 |
5 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
19 |
9 |
16741 |
118.9 |
-18.4 |
0.670 |
2 |
0 |
0 |
0.211 |
13 |
32 |
|
[GOL]F:1312 |
6 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
18 |
7 |
16694 |
116.2 |
-0.8 |
0.508 |
4 |
0 |
0 |
0.033 |
14 |
33 |
|
[GOL]G:1318 |
6 |
1 |
221 |
f |
G |
x,y,z |
1_555 |
23 |
8 |
16683 |
111.2 |
-0.3 |
0.570 |
1 |
0 |
0 |
0.011 |
15 |
34 |
|
[GOL]F:1319 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
18 |
9 |
16694 |
107.1 |
-1.4 |
0.390 |
1 |
0 |
0 |
0.025 |
16 |
35 |
|
[GOL]D:1306 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
16660 |
106.0 |
-0.1 |
0.642 |
3 |
0 |
0 |
0.023 |
36 |
|
[GOL]A:1304 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
16687 |
96.9 |
-0.1 |
0.636 |
4 |
0 |
0 |
0.023 |
37 |
|
[GOL]H:1302 |
6 |
1 |
218 |
f |
H |
x,y,z |
1_555 |
16 |
6 |
16720 |
94.4 |
0.1 |
0.643 |
3 |
0 |
0 |
0.023 |
Average: |
99.1 |
-0.0 |
0.640 |
3 |
0 |
0 |
0.023 |
17 |
38 |
|
[GOL]G:1315 |
6 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
22 |
9 |
16683 |
105.6 |
0.3 |
0.708 |
2 |
0 |
0 |
0.001 |
18 |
39 |
|
[GOL]E:1305 |
6 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
16564 |
105.4 |
-0.1 |
0.645 |
3 |
0 |
0 |
0.018 |
40 |
|
[GOL]G:1307 |
6 |
1 |
217 |
◊ |
G |
x,y,z |
1_555 |
19 |
6 |
16683 |
104.7 |
-0.4 |
0.567 |
2 |
0 |
0 |
0.018 |
41 |
|
[GOL]A:1303 |
6 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
16755 |
96.8 |
-0.1 |
0.577 |
3 |
0 |
0 |
0.018 |
Average: |
102.3 |
-0.2 |
0.596 |
3 |
0 |
0 |
0.018 |
19 |
42 |
|
[GOL]E:1301 |
6 |
1 |
217 |
f |
E |
x,y,z |
1_555 |
19 |
6 |
16741 |
104.2 |
-0.3 |
0.594 |
3 |
0 |
0 |
0.017 |
20 |
43 |
|
D |
12 |
5 |
16660 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
8 |
2 |
16564 |
100.8 |
1.0 |
0.778 |
2 |
0 |
0 |
0.000 |
21 |
44 |
|
C |
11 |
6 |
16755 |
◊ |
H |
-x-1/2,y-1/2,-z |
3_445 |
12 |
3 |
16720 |
99.1 |
-0.5 |
0.555 |
0 |
0 |
0 |
0.000 |
45 |
|
D |
7 |
2 |
16660 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
5 |
4 |
16564 |
46.8 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
Average: |
73.0 |
-0.2 |
0.605 |
0 |
0 |
0 |
0.000 |
22 |
46 |
|
[GOL]F:1317 |
6 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
18 |
5 |
16694 |
96.3 |
-0.2 |
0.578 |
2 |
0 |
0 |
0.015 |
23 |
47 |
|
[GOL]H:1311 |
6 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
17 |
6 |
16694 |
95.9 |
-0.0 |
0.622 |
3 |
0 |
0 |
0.018 |
24 |
48 |
|
[GOL]B:1308 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
16564 |
92.8 |
-1.0 |
0.435 |
2 |
0 |
0 |
0.021 |
25 |
49 |
|
[GOL]D:1310 |
6 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
15 |
4 |
16683 |
89.4 |
-0.5 |
0.578 |
3 |
0 |
0 |
0.026 |
26 |
50 |
|
[GOL]G:1315 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
16755 |
85.0 |
-1.0 |
0.449 |
1 |
0 |
0 |
0.017 |
27 |
51 |
|
[GOL]B:1308 |
6 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
14 |
6 |
16741 |
84.4 |
-1.0 |
0.459 |
0 |
0 |
0 |
0.010 |
28 |
52 |
|
[GOL]A:1316 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
16687 |
83.4 |
-0.1 |
0.579 |
3 |
0 |
0 |
0.018 |
29 |
53 |
|
[GOL]A:1316 |
6 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
16755 |
82.9 |
-1.1 |
0.476 |
0 |
0 |
0 |
0.013 |
30 |
54 |
|
[GOL]F:1313 |
5 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
16 |
8 |
16694 |
81.8 |
-0.6 |
0.544 |
1 |
0 |
0 |
0.014 |
31 |
55 |
|
[GOL]G:1309 |
5 |
1 |
220 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
16683 |
79.6 |
-1.0 |
0.363 |
1 |
0 |
0 |
0.020 |
32 |
56 |
|
[GOL]D:1310 |
4 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
16660 |
76.9 |
-0.1 |
0.630 |
3 |
0 |
0 |
0.017 |
33 |
57 |
|
[GOL]F:1313 |
6 |
1 |
219 |
◊ |
H |
x,y,z |
1_555 |
15 |
7 |
16720 |
75.1 |
-0.9 |
0.498 |
0 |
0 |
0 |
0.012 |
34 |
58 |
|
[GOL]A:1314 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
16687 |
71.8 |
-0.6 |
0.563 |
0 |
0 |
0 |
0.007 |
35 |
59 |
|
[GOL]A:1314 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
16755 |
70.4 |
-0.8 |
0.461 |
0 |
0 |
0 |
0.010 |
36 |
60 |
|
[SO4]B:1205 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
16564 |
69.3 |
-8.5 |
0.914 |
3 |
0 |
0 |
0.111 |
37 |
61 |
|
[SO4]D:1206 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
16660 |
69.2 |
-8.0 |
0.939 |
4 |
0 |
0 |
0.122 |
38 |
62 |
|
G |
12 |
4 |
16683 |
f |
[SO4]E:1201 |
x-1/2,-y+1/2,-z-1 |
4_454 |
5 |
1 |
185 |
69.1 |
-9.5 |
0.798 |
2 |
0 |
0 |
0.147 |
39 |
63 |
|
[SO4]A:1204 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
16755 |
68.6 |
-8.1 |
0.930 |
3 |
0 |
0 |
0.115 |
40 |
64 |
|
[GOL]F:1317 |
4 |
1 |
220 |
f |
H |
x,y,z |
1_555 |
9 |
4 |
16720 |
67.9 |
-0.3 |
0.522 |
4 |
0 |
0 |
0.029 |
41 |
65 |
|
[GOL]G:1307 |
5 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
16660 |
66.1 |
0.4 |
0.731 |
4 |
0 |
0 |
0.019 |
66 |
|
[GOL]E:1305 |
5 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
16741 |
64.0 |
0.2 |
0.722 |
4 |
0 |
0 |
0.019 |
67 |
|
[GOL]A:1303 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
16687 |
59.1 |
0.2 |
0.690 |
4 |
0 |
0 |
0.019 |
Average: |
63.1 |
0.3 |
0.714 |
4 |
0 |
0 |
0.019 |
42 |
68 |
|
[GOL]D:1306 |
5 |
1 |
218 |
◊ |
G |
x,y,z |
1_555 |
11 |
5 |
16683 |
66.1 |
0.3 |
0.713 |
4 |
0 |
0 |
0.019 |
69 |
|
[GOL]H:1302 |
6 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
16694 |
58.1 |
0.3 |
0.662 |
3 |
0 |
0 |
0.019 |
70 |
|
[GOL]A:1304 |
6 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
16755 |
57.6 |
0.3 |
0.652 |
3 |
0 |
0 |
0.019 |
Average: |
60.6 |
0.3 |
0.676 |
3 |
0 |
0 |
0.019 |
43 |
71 |
|
[GOL]E:1301 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
16564 |
65.7 |
0.4 |
0.713 |
3 |
0 |
0 |
0.009 |
44 |
72 |
|
[SO4]H:1211 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
16694 |
64.3 |
-7.3 |
0.955 |
2 |
0 |
0 |
0.108 |
45 |
73 |
|
[SO4]E:1201 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
16741 |
63.2 |
-8.4 |
0.819 |
3 |
0 |
0 |
0.017 |
46 |
74 |
|
[SO4]C:1209 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
16687 |
61.9 |
-7.1 |
0.946 |
2 |
0 |
0 |
0.097 |
47 |
75 |
|
[SO4]F:1210 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
9 |
5 |
16720 |
61.6 |
-6.9 |
0.948 |
3 |
0 |
0 |
0.116 |
48 |
76 |
|
[SO4]D:1207 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
10 |
5 |
16683 |
61.1 |
-7.7 |
0.916 |
1 |
0 |
0 |
0.101 |
49 |
77 |
|
[GOL]G:1309 |
4 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
15 |
3 |
16694 |
60.4 |
-0.8 |
0.505 |
0 |
0 |
0 |
0.001 |
50 |
78 |
|
[GOL]H:1311 |
5 |
1 |
218 |
◊ |
H |
x,y,z |
1_555 |
13 |
6 |
16720 |
60.2 |
0.3 |
0.695 |
3 |
0 |
0 |
0.014 |
51 |
79 |
|
C |
9 |
4 |
16755 |
f |
[SO4]H:1203 |
-x-1/2,y-1/2,-z-1 |
3_444 |
4 |
1 |
185 |
59.3 |
-8.4 |
0.686 |
1 |
0 |
0 |
0.108 |
52 |
80 |
|
[SO4]D:1207 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
16660 |
58.5 |
-7.2 |
0.912 |
2 |
0 |
0 |
0.101 |
53 |
81 |
|
[SO4]H:1203 |
5 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
16720 |
56.6 |
-7.1 |
0.840 |
2 |
0 |
0 |
0.005 |
54 |
82 |
|
[SO4]E:1202 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
16741 |
56.1 |
-7.0 |
0.915 |
2 |
0 |
0 |
0.086 |
55 |
83 |
|
[SO4]F:1210 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
16694 |
55.7 |
-6.8 |
0.924 |
2 |
0 |
0 |
0.101 |
56 |
84 |
|
[SO4]C:1209 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
16755 |
55.1 |
-6.3 |
0.933 |
2 |
0 |
0 |
0.088 |
57 |
85 |
|
[GOL]G:1320 |
4 |
1 |
220 |
f |
E |
x-1/2,-y+1/2,-z |
4_455 |
9 |
3 |
16741 |
54.7 |
-0.3 |
0.523 |
1 |
0 |
0 |
0.008 |
58 |
86 |
|
[SO4]H:1211 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
16720 |
51.9 |
-6.1 |
0.916 |
2 |
0 |
0 |
0.093 |
59 |
87 |
|
[GOL]F:1312 |
3 |
1 |
217 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
16683 |
51.7 |
-0.2 |
0.557 |
0 |
0 |
0 |
0.000 |
60 |
88 |
|
[SO4]E:1202 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
16564 |
48.0 |
-5.6 |
0.923 |
3 |
0 |
0 |
0.064 |
61 |
89 |
|
[SO4]A:1204 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
16687 |
47.5 |
-5.4 |
0.920 |
2 |
0 |
0 |
0.077 |
62 |
90 |
|
[GOL]G:1318 |
4 |
1 |
221 |
◊ |
[GOL]F:1319 |
x,y,z |
1_555 |
6 |
1 |
220 |
43.6 |
-0.1 |
0.525 |
1 |
0 |
0 |
0.000 |
63 |
91 |
|
[SO4]B:1205 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
16741 |
43.1 |
-4.8 |
0.921 |
3 |
0 |
0 |
0.057 |
64 |
92 |
|
[SO4]D:1206 |
3 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
16683 |
39.3 |
-4.3 |
0.949 |
3 |
0 |
0 |
0.070 |
65 |
93 |
|
[GOL]F:1319 |
5 |
1 |
220 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
16683 |
35.1 |
0.6 |
0.798 |
1 |
0 |
0 |
0.000 |
66 |
94 |
|
[GOL]G:1320 |
3 |
1 |
220 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
16683 |
30.7 |
0.4 |
0.602 |
0 |
0 |
0 |
0.000 |
67 |
95 |
|
C |
2 |
1 |
16755 |
◊ |
F |
-x-1/2,y-1/2,-z-1 |
3_444 |
3 |
1 |
16694 |
30.7 |
-1.0 |
0.141 |
0 |
0 |
0 |
0.000 |
68 |
96 |
|
[GOL]G:1318 |
4 |
1 |
221 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
16694 |
30.1 |
-0.3 |
0.479 |
0 |
0 |
0 |
0.000 |
69 |
97 |
|
[GOL]F:1317 |
3 |
1 |
220 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
16683 |
28.8 |
-0.1 |
0.459 |
0 |
0 |
0 |
0.001 |
70 |
98 |
|
[GOL]D:1310 |
3 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
16755 |
28.4 |
0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
71 |
99 |
|
H |
2 |
1 |
16720 |
◊ |
F |
x,y,z-1 |
1_554 |
2 |
1 |
16694 |
28.4 |
-0.9 |
0.130 |
0 |
0 |
0 |
0.000 |
72 |
100 |
|
[GOL]A:1316 |
3 |
1 |
218 |
◊ |
[GOL]A:1314 |
x,y,z |
1_555 |
3 |
1 |
218 |
21.6 |
-0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
73 |
101 |
|
[GOL]A:1314 |
2 |
1 |
218 |
◊ |
[GOL]A:1303 |
x,y,z |
1_555 |
3 |
1 |
216 |
18.8 |
-0.5 |
0.517 |
0 |
0 |
0 |
0.006 |
74 |
102 |
|
[GOL]H:1302 |
5 |
1 |
218 |
◊ |
[GOL]F:1313 |
x,y,z |
1_555 |
2 |
1 |
219 |
17.2 |
-0.3 |
0.534 |
0 |
0 |
0 |
0.005 |
75 |
103 |
|
[GOL]A:1314 |
2 |
1 |
218 |
◊ |
[GOL]A:1304 |
x,y,z |
1_555 |
4 |
1 |
218 |
17.2 |
-0.4 |
0.529 |
0 |
0 |
0 |
0.005 |
76 |
104 |
|
[GOL]H:1311 |
2 |
1 |
218 |
f |
[GOL]F:1313 |
x,y,z |
1_555 |
3 |
1 |
219 |
16.7 |
-0.5 |
0.413 |
0 |
0 |
0 |
0.007 |
77 |
105 |
|
A |
1 |
1 |
16687 |
◊ |
[SO4]H:1203 |
-x-1/2,y-1/2,-z-1 |
3_444 |
1 |
1 |
185 |
15.5 |
-1.6 |
0.856 |
0 |
0 |
0 |
0.019 |
78 |
106 |
|
A |
1 |
1 |
16687 |
◊ |
H |
-x-1/2,y-1/2,-z |
3_445 |
1 |
1 |
16720 |
15.0 |
-0.5 |
0.149 |
0 |
0 |
0 |
0.000 |
79 |
107 |
|
[GOL]G:1320 |
2 |
1 |
220 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
16564 |
10.1 |
0.0 |
0.714 |
0 |
0 |
0 |
0.000 |
80 |
108 |
|
[GOL]G:1309 |
2 |
1 |
220 |
◊ |
[GOL]F:1319 |
x,y,z |
1_555 |
2 |
1 |
220 |
8.7 |
-0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
81 |
109 |
|
[GOL]H:1311 |
2 |
1 |
218 |
◊ |
[GOL]H:1302 |
x,y,z |
1_555 |
1 |
1 |
218 |
8.1 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
82 |
110 |
|
[GOL]G:1318 |
2 |
1 |
221 |
f |
[GOL]G:1309 |
x,y,z |
1_555 |
1 |
1 |
220 |
6.0 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
83 |
111 |
|
D |
1 |
1 |
16660 |
◊ |
[SO4]E:1201 |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
185 |
4.6 |
-0.5 |
0.809 |
0 |
0 |
0 |
0.006 |
84 |
112 |
|
[GOL]E:1305 |
2 |
1 |
216 |
f |
[GOL]E:1301 |
x,y,z |
1_555 |
1 |
1 |
217 |
3.7 |
0.1 |
0.565 |
0 |
0 |
0 |
0.000 |
85 |
113 |
|
[GOL]A:1304 |
1 |
1 |
218 |
f |
[GOL]A:1303 |
x,y,z |
1_555 |
2 |
1 |
216 |
3.1 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
114 |
|
[GOL]G:1307 |
1 |
1 |
217 |
f |
[GOL]D:1306 |
x,y,z |
1_555 |
2 |
1 |
218 |
2.9 |
0.0 |
0.565 |
0 |
0 |
0 |
0.000 |
Average: |
3.0 |
0.0 |
0.553 |
0 |
0 |
0 |
0.000 |
|