| ## |
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 |
|
0 |
825 |
141 |
365844 |
◊ |
B |
x,y,z |
1_555 |
738 |
165 |
18422 |
7190.7 |
-134.8 |
0.630 |
163 |
0 |
0 |
0.123 |
2 |
|
0 |
754 |
142 |
365844 |
◊ |
M |
x,y,z |
1_555 |
606 |
136 |
12410 |
6289.0 |
-120.2 |
0.610 |
138 |
0 |
0 |
0.172 |
3 |
|
0 |
728 |
116 |
365844 |
◊ |
A |
x,y,z |
1_555 |
608 |
130 |
14193 |
6151.4 |
-118.2 |
0.524 |
125 |
0 |
0 |
0.217 |
4 |
|
0 |
644 |
111 |
365844 |
◊ |
C |
x,y,z |
1_555 |
521 |
129 |
14373 |
5412.8 |
-93.1 |
0.585 |
107 |
0 |
0 |
0.103 |
5 |
|
0 |
485 |
97 |
365844 |
◊ |
P |
x,y,z |
1_555 |
398 |
94 |
10699 |
4200.8 |
-80.0 |
0.629 |
108 |
0 |
0 |
0.105 |
6 |
|
0 |
517 |
109 |
365844 |
◊ |
L |
x,y,z |
1_555 |
378 |
82 |
11445 |
4056.6 |
-67.9 |
0.577 |
95 |
0 |
0 |
0.093 |
7 |
|
0 |
492 |
96 |
365844 |
◊ |
Y |
x,y,z |
1_555 |
384 |
86 |
10444 |
4037.8 |
-69.7 |
0.829 |
89 |
0 |
0 |
0.099 |
8 |
|
0 |
380 |
69 |
365844 |
◊ |
R |
x,y,z |
1_555 |
322 |
81 |
8454 |
3100.5 |
-54.9 |
0.559 |
67 |
0 |
0 |
0.084 |
9 |
|
0 |
358 |
59 |
365844 |
◊ |
3 |
x,y,z |
1_555 |
313 |
67 |
7729 |
3026.9 |
-61.6 |
0.311 |
54 |
0 |
0 |
0.082 |
10 |
|
0 |
377 |
77 |
365844 |
◊ |
1 |
x,y,z |
1_555 |
268 |
54 |
4894 |
2865.5 |
-54.7 |
0.702 |
56 |
0 |
0 |
0.086 |
11 |
|
0 |
339 |
59 |
365844 |
◊ |
T |
x,y,z |
1_555 |
270 |
66 |
8090 |
2809.4 |
-39.2 |
0.856 |
56 |
0 |
0 |
0.074 |
12 |
|
0 |
317 |
55 |
365844 |
◊ |
H |
x,y,z |
1_555 |
274 |
61 |
9322 |
2629.7 |
-48.4 |
0.478 |
50 |
0 |
0 |
0.079 |
13 |
|
0 |
294 |
59 |
365844 |
◊ |
Q |
x,y,z |
1_555 |
249 |
59 |
6649 |
2491.4 |
-53.1 |
0.541 |
62 |
0 |
0 |
0.082 |
14 |
|
0 |
275 |
49 |
365844 |
◊ |
J |
x,y,z |
1_555 |
252 |
67 |
8501 |
2424.3 |
-35.6 |
0.675 |
44 |
0 |
0 |
0.063 |
15 |
|
0 |
325 |
52 |
365844 |
◊ |
2 |
x,y,z |
1_555 |
232 |
43 |
5057 |
2380.9 |
-29.7 |
0.634 |
28 |
0 |
0 |
0.059 |
16 |
|
9 |
271 |
42 |
19980 |
◊ |
N |
x,y,z |
1_555 |
239 |
65 |
10922 |
2288.5 |
-37.9 |
0.855 |
58 |
0 |
0 |
0.873 |
17 |
|
0 |
233 |
39 |
365844 |
◊ |
W |
x,y,z |
1_555 |
211 |
54 |
8181 |
2041.4 |
-37.1 |
0.416 |
37 |
0 |
0 |
0.065 |
18 |
|
0 |
235 |
45 |
365844 |
◊ |
K |
x,y,z |
1_555 |
196 |
49 |
7259 |
1918.2 |
-31.6 |
0.731 |
48 |
0 |
0 |
0.067 |
19 |
|
0 |
210 |
31 |
365844 |
◊ |
O |
x,y,z |
1_555 |
186 |
50 |
6509 |
1843.4 |
-26.0 |
0.740 |
44 |
0 |
0 |
0.064 |
20 |
|
0 |
207 |
41 |
365844 |
◊ |
X |
x,y,z |
1_555 |
164 |
38 |
5145 |
1693.0 |
-27.0 |
0.663 |
35 |
0 |
0 |
0.060 |
21 |
|
0 |
202 |
36 |
365844 |
◊ |
E |
x,y,z |
1_555 |
170 |
46 |
10212 |
1647.5 |
-24.5 |
0.327 |
23 |
0 |
0 |
0.049 |
22 |
|
0 |
172 |
33 |
365844 |
◊ |
Z |
x,y,z |
1_555 |
114 |
32 |
5669 |
1255.5 |
-14.0 |
0.718 |
27 |
0 |
0 |
0.036 |
23 |
|
9 |
140 |
20 |
19980 |
◊ |
D |
x,y,z |
1_555 |
121 |
32 |
9623 |
1252.1 |
-19.8 |
0.639 |
15 |
0 |
0 |
0.037 |
24 |
|
0 |
125 |
19 |
365844 |
◊ |
N |
x,y,z |
1_555 |
117 |
31 |
10922 |
1115.1 |
-8.8 |
0.363 |
11 |
0 |
0 |
0.016 |
25 |
|
0 |
116 |
18 |
365844 |
◊ |
D |
x,y,z |
1_555 |
121 |
40 |
9623 |
1093.7 |
-11.1 |
0.896 |
20 |
0 |
0 |
0.028 |
26 |
|
9 |
117 |
24 |
19980 |
◊ |
0 |
x,y,z |
1_555 |
142 |
36 |
365844 |
1038.1 |
-24.5 |
0.958 |
12 |
0 |
0 |
0.042 |
27 |
|
Z |
111 |
32 |
5669 |
◊ |
A |
x,y,z |
1_555 |
109 |
35 |
14193 |
1036.8 |
-14.8 |
0.014 |
16 |
2 |
0 |
0.028 |
28 |
|
0 |
118 |
21 |
365844 |
◊ |
V |
x,y,z |
1_555 |
112 |
28 |
4553 |
992.4 |
-14.0 |
0.748 |
23 |
0 |
0 |
0.034 |
29 |
|
0 |
127 |
26 |
365844 |
◊ |
S |
x,y,z |
1_555 |
100 |
32 |
5186 |
991.8 |
-19.1 |
0.711 |
22 |
0 |
0 |
0.040 |
30 |
|
0 |
108 |
17 |
365844 |
◊ |
I |
x,y,z |
1_555 |
100 |
31 |
4442 |
900.6 |
-18.2 |
0.562 |
15 |
0 |
0 |
0.035 |
31 |
|
4 |
71 |
5 |
1469 |
◊ |
0 |
x,y,z |
1_555 |
113 |
23 |
365844 |
767.1 |
-10.2 |
0.620 |
12 |
0 |
0 |
0.021 |
32 |
|
M |
77 |
20 |
12410 |
◊ |
F |
x,y,z |
1_555 |
73 |
18 |
6181 |
701.1 |
-9.1 |
0.036 |
9 |
4 |
0 |
0.013 |
33 |
|
0 |
87 |
15 |
365844 |
◊ |
U |
x,y,z |
1_555 |
70 |
18 |
3964 |
692.4 |
-9.7 |
0.795 |
10 |
0 |
0 |
0.018 |
34 |
|
0 |
70 |
10 |
365844 |
◊ |
F |
x,y,z |
1_555 |
58 |
20 |
6181 |
624.5 |
-13.6 |
0.457 |
15 |
0 |
0 |
0.025 |
35 |
|
9 |
70 |
11 |
19980 |
◊ |
W |
x,y,z |
1_555 |
55 |
19 |
8181 |
552.5 |
-8.3 |
0.679 |
7 |
0 |
0 |
0.014 |
36 |
|
Q |
54 |
14 |
6649 |
◊ |
N |
x,y,z |
1_555 |
59 |
17 |
10922 |
521.0 |
-7.9 |
0.062 |
2 |
0 |
0 |
0.000 |
37 |
|
U |
49 |
14 |
3964 |
◊ |
K |
x,y,z |
1_555 |
52 |
16 |
7259 |
514.3 |
-7.9 |
0.053 |
7 |
1 |
0 |
0.000 |
38 |
|
0 |
56 |
10 |
365844 |
◊ |
G |
x,y,z |
1_555 |
49 |
13 |
2784 |
472.3 |
-6.4 |
0.783 |
9 |
0 |
0 |
0.000 |
39 |
|
K |
35 |
12 |
7259 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
35 |
12 |
7259 |
367.2 |
-0.2 |
0.452 |
4 |
4 |
0 |
0.000 |
40 |
|
V |
37 |
10 |
4553 |
◊ |
S |
x,y,z |
1_555 |
37 |
10 |
5186 |
336.6 |
-4.8 |
0.149 |
0 |
1 |
0 |
0.007 |
41 |
|
[1MA]0:628 |
23 |
1 |
501 |
cf |
0 |
x,y,z |
1_555 |
51 |
10 |
365844 |
329.1 |
-1.9 |
0.779 |
5 |
0 |
0 |
0.006 |
42 |
|
K |
29 |
11 |
7259 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
18422 |
286.2 |
-1.9 |
0.292 |
2 |
0 |
0 |
0.000 |
43 |
|
[UR3]0:2619 |
21 |
1 |
444 |
cf |
0 |
x,y,z |
1_555 |
40 |
7 |
365844 |
281.3 |
-2.7 |
0.812 |
0 |
0 |
0 |
0.004 |
44 |
|
[OMU]0:2587 |
21 |
1 |
457 |
cf |
0 |
x,y,z |
1_555 |
48 |
11 |
365844 |
279.2 |
-1.1 |
0.838 |
1 |
0 |
0 |
0.002 |
45 |
|
J |
30 |
6 |
8501 |
◊ |
E |
x,y,z |
1_555 |
28 |
8 |
10212 |
272.7 |
-3.2 |
0.134 |
3 |
0 |
0 |
0.005 |
46 |
|
2 |
32 |
7 |
5057 |
◊ |
S |
x,y,z |
1_555 |
30 |
8 |
5186 |
270.1 |
-2.8 |
0.211 |
3 |
2 |
0 |
0.006 |
47 |
|
[OMG]0:2588 |
24 |
1 |
509 |
cf |
0 |
x,y,z |
1_555 |
44 |
8 |
365844 |
268.9 |
-3.2 |
0.767 |
2 |
0 |
0 |
0.006 |
48 |
|
[PPU]4:76 |
22 |
1 |
513 |
◊ |
0 |
x,y,z |
1_555 |
41 |
10 |
365844 |
255.9 |
1.4 |
0.545 |
3 |
0 |
0 |
0.000 |
49 |
|
9 |
32 |
7 |
19980 |
◊ |
Q |
x,y,z |
1_555 |
24 |
5 |
6649 |
255.1 |
-2.6 |
0.758 |
4 |
0 |
0 |
0.000 |
50 |
|
[PSU]0:2621 |
18 |
1 |
423 |
cf |
0 |
x,y,z |
1_555 |
38 |
7 |
365844 |
247.6 |
-2.4 |
0.685 |
3 |
0 |
0 |
0.005 |
51 |
|
J |
28 |
10 |
8501 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
18422 |
239.4 |
0.7 |
0.537 |
6 |
1 |
0 |
0.000 |
52 |
|
N |
32 |
10 |
10922 |
◊ |
D |
x,y,z |
1_555 |
21 |
6 |
9623 |
226.3 |
1.2 |
0.655 |
3 |
0 |
0 |
0.000 |
53 |
|
O |
16 |
4 |
6509 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
14373 |
180.9 |
-1.7 |
0.210 |
0 |
0 |
0 |
0.000 |
54 |
|
U |
15 |
4 |
3964 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
18422 |
176.7 |
-1.4 |
0.331 |
5 |
0 |
0 |
0.000 |
55 |
|
2 |
21 |
5 |
5057 |
◊ |
1 |
x,y,z |
1_555 |
20 |
7 |
4894 |
172.4 |
-2.4 |
0.264 |
0 |
0 |
0 |
0.002 |
56 |
|
9 |
28 |
3 |
19980 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
22 |
3 |
365844 |
170.7 |
-0.7 |
0.919 |
1 |
0 |
0 |
0.000 |
57 |
|
0 |
23 |
6 |
365844 |
◊ |
V |
x,-y+1,-z |
4_565 |
15 |
6 |
4553 |
162.8 |
-3.7 |
0.405 |
1 |
0 |
0 |
0.000 |
58 |
|
1 |
16 |
4 |
4894 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
14373 |
162.4 |
-1.1 |
0.395 |
3 |
4 |
0 |
0.002 |
59 |
|
[PPU]4:76 |
22 |
1 |
513 |
cf |
4 |
x,y,z |
1_555 |
18 |
2 |
1469 |
162.1 |
2.6 |
0.525 |
0 |
0 |
0 |
0.000 |
60 |
|
0 |
17 |
2 |
365844 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
22 |
4 |
365844 |
154.1 |
-5.7 |
0.555 |
2 |
0 |
0 |
0.000 |
61 |
|
3 |
14 |
4 |
7729 |
◊ |
M |
x,y,z |
1_555 |
22 |
6 |
12410 |
153.9 |
-2.6 |
0.133 |
1 |
0 |
0 |
0.002 |
62 |
|
[K]0:9002 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
26 |
11 |
365844 |
130.9 |
-87.0 |
0.000 |
0 |
0 |
0 |
0.122 |
63 |
|
0 |
24 |
4 |
365844 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
24 |
4 |
365844 |
130.4 |
1.3 |
0.962 |
2 |
0 |
0 |
0.000 |
64 |
|
9 |
12 |
3 |
19980 |
◊ |
H |
x,y,z |
1_555 |
20 |
6 |
9322 |
128.1 |
0.5 |
0.721 |
2 |
0 |
0 |
0.000 |
65 |
|
O |
17 |
6 |
6509 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
11445 |
125.1 |
-0.1 |
0.429 |
0 |
0 |
0 |
0.000 |
66 |
|
[DCZ]4:74 |
12 |
1 |
374 |
◊ |
0 |
x,y,z |
1_555 |
23 |
6 |
365844 |
121.7 |
-1.0 |
0.377 |
1 |
0 |
0 |
0.002 |
67 |
|
[K]0:9001 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
14 |
8 |
365844 |
120.5 |
-104.2 |
0.000 |
0 |
0 |
0 |
0.146 |
68 |
|
[DCZ]4:74 |
12 |
1 |
374 |
cf |
4 |
x,y,z |
1_555 |
15 |
1 |
1469 |
116.2 |
2.6 |
0.323 |
0 |
0 |
0 |
0.000 |
69 |
|
N |
15 |
7 |
10922 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
16 |
2 |
365844 |
113.2 |
-2.7 |
0.426 |
0 |
0 |
0 |
0.000 |
70 |
|
0 |
20 |
7 |
365844 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
15 |
5 |
10212 |
112.2 |
-0.1 |
0.817 |
0 |
0 |
0 |
0.000 |
71 |
|
[K]0:9003 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
13 |
4 |
365844 |
110.2 |
-60.3 |
0.000 |
0 |
0 |
0 |
0.084 |
72 |
|
[OMG]0:2588 |
14 |
1 |
509 |
cf |
[OMU]0:2587 |
x,y,z |
1_555 |
13 |
1 |
457 |
89.5 |
-0.6 |
0.537 |
0 |
0 |
0 |
0.000 |
73 |
|
[CL]0:9305 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
19 |
7 |
365844 |
86.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.016 |
74 |
|
T |
16 |
5 |
8090 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
14373 |
84.6 |
-1.0 |
0.316 |
0 |
0 |
0 |
0.000 |
75 |
|
[PPU]4:76 |
14 |
1 |
513 |
◊ |
[UR3]0:2619 |
x,y,z |
1_555 |
13 |
1 |
444 |
79.8 |
1.3 |
0.540 |
0 |
0 |
0 |
0.000 |
76 |
|
[PO2]4:177 |
3 |
1 |
162 |
◊ |
0 |
x,y,z |
1_555 |
15 |
6 |
365844 |
78.1 |
1.1 |
0.509 |
0 |
0 |
0 |
0.000 |
77 |
|
[K]0:9003 |
1 |
1 |
216 |
◊ |
4 |
x,y,z |
1_555 |
10 |
2 |
1469 |
76.9 |
-45.7 |
0.000 |
0 |
0 |
0 |
0.061 |
78 |
|
[CL]R:9306 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
11 |
4 |
8454 |
73.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.100 |
79 |
|
W |
8 |
2 |
8181 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
12 |
1 |
365844 |
69.1 |
-1.2 |
0.275 |
0 |
0 |
0 |
0.000 |
80 |
|
[CL]3:9304 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
13 |
6 |
7729 |
68.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.100 |
81 |
|
[CL]M:9318 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
11 |
7 |
12410 |
68.0 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.100 |
82 |
|
[CD]O:9205 |
1 |
1 |
112 |
f |
O |
x,y,z |
1_555 |
14 |
6 |
6509 |
67.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.050 |
83 |
|
[CL]0:9315 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
6 |
365844 |
67.2 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.014 |
84 |
|
[1MA]0:628 |
8 |
1 |
501 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10444 |
67.0 |
-2.3 |
0.221 |
0 |
0 |
0 |
0.002 |
85 |
|
[CL]0:9313 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
5 |
365844 |
66.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.013 |
86 |
|
[CL]J:9302 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
8501 |
62.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.036 |
87 |
|
[CL]0:9322 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
365844 |
62.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.013 |
88 |
|
[CL]O:9308 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
9 |
4 |
6509 |
61.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.050 |
89 |
|
[CL]Y:9320 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
13 |
5 |
365844 |
61.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.008 |
90 |
|
[CL]A:9309 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14193 |
61.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
91 |
|
[CL]J:9301 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
4 |
8501 |
61.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.032 |
92 |
|
[CL]0:9314 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
13 |
4 |
11445 |
60.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.045 |
93 |
|
[CL]L:9310 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
13 |
4 |
11445 |
59.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.055 |
94 |
|
[CL]B:9319 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18422 |
58.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.100 |
95 |
|
[CL]N:9307 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
10 |
3 |
10922 |
58.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.114 |
96 |
|
Y |
7 |
1 |
10444 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
11445 |
58.4 |
0.7 |
0.630 |
0 |
0 |
0 |
0.000 |
97 |
|
[CL]0:9303 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
11 |
5 |
365844 |
58.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.010 |
98 |
|
[CL]J:9321 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
11 |
6 |
8501 |
58.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.032 |
99 |
|
[CL]0:9311 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
11 |
6 |
6649 |
56.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.100 |
100 |
|
[CL]0:9317 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
7 |
3 |
10444 |
55.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.006 |
101 |
|
[PO2]4:177 |
3 |
1 |
162 |
cf |
4 |
x,y,z |
1_555 |
10 |
2 |
1469 |
53.5 |
0.9 |
0.402 |
0 |
0 |
0 |
0.000 |
102 |
|
[CL]0:9316 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
365844 |
53.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.009 |
103 |
|
[CL]0:9316 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
7 |
3 |
8501 |
52.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.006 |
104 |
|
[CL]0:9317 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
12 |
3 |
365844 |
52.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.010 |
105 |
|
[OMG]0:2588 |
4 |
1 |
509 |
◊ |
4 |
x,y,z |
1_555 |
4 |
1 |
1469 |
52.6 |
-0.2 |
0.480 |
3 |
0 |
0 |
0.002 |
106 |
|
[CL]0:9312 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
10 |
5 |
7259 |
50.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.100 |
107 |
|
[CL]0:9312 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
4 |
365844 |
48.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.007 |
108 |
|
[K]0:9002 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
7 |
1 |
12410 |
46.2 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.024 |
109 |
|
[CL]Y:9320 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10444 |
45.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.004 |
110 |
|
9 |
7 |
2 |
19980 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
6 |
2 |
18422 |
45.6 |
-0.1 |
0.671 |
2 |
0 |
0 |
0.000 |
111 |
|
[PPU]4:76 |
5 |
1 |
513 |
◊ |
[OMG]0:2588 |
x,y,z |
1_555 |
5 |
1 |
509 |
44.5 |
1.8 |
0.620 |
0 |
0 |
0 |
0.000 |
112 |
|
[CL]0:9314 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
1 |
365844 |
43.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.005 |
113 |
|
[CL]O:9308 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
2 |
365844 |
41.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.007 |
114 |
|
[CL]B:9319 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
365844 |
39.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.003 |
115 |
|
[CL]0:9311 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
365844 |
36.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.005 |
116 |
|
[CL]L:9310 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
365844 |
35.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.003 |
117 |
|
[DCZ]4:74 |
3 |
1 |
374 |
◊ |
[OMG]0:2588 |
x,y,z |
1_555 |
5 |
1 |
509 |
34.5 |
0.7 |
0.401 |
0 |
0 |
0 |
0.000 |
118 |
|
[CL]J:9321 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
365844 |
32.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.005 |
119 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9623 |
32.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.004 |
120 |
|
D |
7 |
1 |
9623 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
1 |
18422 |
28.6 |
-0.2 |
0.571 |
0 |
0 |
0 |
0.000 |
121 |
|
0 |
3 |
2 |
365844 |
◊ |
F |
x,-y+1,-z |
4_565 |
4 |
1 |
6181 |
28.5 |
-1.8 |
0.275 |
0 |
0 |
0 |
0.000 |
122 |
|
3 |
6 |
1 |
7729 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11445 |
27.9 |
0.6 |
0.580 |
0 |
0 |
0 |
0.000 |
123 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10212 |
27.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.004 |
124 |
|
[CL]0:9303 |
1 |
1 |
125 |
◊ |
2 |
x,y,z |
1_555 |
2 |
1 |
5057 |
27.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.005 |
125 |
|
G |
4 |
2 |
2784 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
1 |
365844 |
24.5 |
0.6 |
0.761 |
0 |
0 |
0 |
0.000 |
126 |
|
[CL]A:9309 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
365844 |
23.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.004 |
127 |
|
[PO2]4:177 |
2 |
1 |
162 |
f |
[PPU]4:76 |
x,y,z |
1_555 |
3 |
1 |
513 |
18.1 |
0.5 |
0.635 |
1 |
0 |
0 |
0.000 |
128 |
|
[CL]R:9306 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
4 |
1 |
365844 |
13.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.001 |
129 |
|
[CL]0:9313 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10444 |
9.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
130 |
|
[PO2]4:177 |
2 |
1 |
162 |
◊ |
[K]0:9003 |
x,y,z |
1_555 |
1 |
1 |
216 |
9.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.007 |
131 |
|
M |
2 |
1 |
12410 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14193 |
8.5 |
0.3 |
0.676 |
0 |
0 |
0 |
0.000 |
132 |
|
[CL]0:9322 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
3 |
1 |
8181 |
8.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
133 |
|
N |
1 |
1 |
10922 |
◊ |
P |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
10699 |
6.9 |
-0.1 |
0.426 |
0 |
0 |
0 |
0.000 |
134 |
|
[CL]Y:9320 |
1 |
1 |
125 |
f |
[CL]0:9313 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.002 |
135 |
|
[CL]N:9307 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
2 |
2 |
19980 |
6.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
136 |
|
[K]0:9001 |
1 |
1 |
216 |
◊ |
4 |
x,y,z |
1_555 |
2 |
1 |
1469 |
4.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.003 |
137 |
|
[UR3]0:2619 |
1 |
1 |
444 |
◊ |
4 |
x,y,z |
1_555 |
2 |
1 |
1469 |
4.0 |
-0.3 |
0.368 |
0 |
0 |
0 |
0.000 |
138 |
|
[PO2]4:177 |
1 |
1 |
162 |
◊ |
[UR3]0:2619 |
x,y,z |
1_555 |
1 |
1 |
444 |
3.5 |
-0.2 |
0.577 |
0 |
0 |
0 |
0.000 |
139 |
|
[CL]J:9301 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
365844 |
2.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
140 |
|
[CL]J:9302 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
365844 |
1.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
141 |
|
[PPU]4:76 |
1 |
1 |
513 |
f |
[DCZ]4:74 |
x,y,z |
1_555 |
1 |
1 |
374 |
1.4 |
0.0 |
0.330 |
0 |
0 |
0 |
0.000 |
|