## |
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 |
834 |
139 |
365847 |
◊ |
B |
x,y,z |
1_555 |
754 |
168 |
18624 |
7296.5 |
-132.1 |
0.776 |
161 |
0 |
0 |
0.119 |
2 |
|
0 |
759 |
135 |
365847 |
◊ |
M |
x,y,z |
1_555 |
608 |
136 |
12502 |
6341.4 |
-122.6 |
0.587 |
136 |
0 |
0 |
0.197 |
3 |
|
0 |
735 |
121 |
365847 |
◊ |
A |
x,y,z |
1_555 |
613 |
131 |
14503 |
6191.8 |
-114.1 |
0.647 |
126 |
0 |
0 |
0.231 |
4 |
|
0 |
662 |
111 |
365847 |
◊ |
C |
x,y,z |
1_555 |
528 |
128 |
14514 |
5479.4 |
-90.0 |
0.703 |
102 |
0 |
0 |
0.109 |
5 |
|
0 |
494 |
97 |
365847 |
◊ |
P |
x,y,z |
1_555 |
393 |
93 |
10909 |
4264.0 |
-79.4 |
0.659 |
105 |
0 |
0 |
0.108 |
6 |
|
0 |
507 |
99 |
365847 |
◊ |
Y |
x,y,z |
1_555 |
394 |
88 |
10636 |
4127.3 |
-74.9 |
0.720 |
92 |
0 |
0 |
0.101 |
7 |
|
0 |
520 |
109 |
365847 |
◊ |
L |
x,y,z |
1_555 |
377 |
81 |
11627 |
4086.5 |
-65.4 |
0.702 |
98 |
0 |
0 |
0.102 |
8 |
|
0 |
382 |
68 |
365847 |
◊ |
R |
x,y,z |
1_555 |
329 |
81 |
8519 |
3125.0 |
-54.9 |
0.529 |
67 |
0 |
0 |
0.088 |
9 |
|
0 |
362 |
61 |
365847 |
◊ |
3 |
x,y,z |
1_555 |
304 |
67 |
7951 |
3014.6 |
-65.7 |
0.217 |
45 |
0 |
0 |
0.086 |
10 |
|
0 |
375 |
77 |
365847 |
◊ |
1 |
x,y,z |
1_555 |
271 |
54 |
4923 |
2876.4 |
-56.8 |
0.628 |
57 |
0 |
0 |
0.096 |
11 |
|
0 |
353 |
60 |
365847 |
◊ |
T |
x,y,z |
1_555 |
277 |
66 |
8249 |
2826.8 |
-38.9 |
0.850 |
55 |
0 |
0 |
0.078 |
12 |
|
0 |
321 |
58 |
365847 |
◊ |
H |
x,y,z |
1_555 |
283 |
65 |
9608 |
2730.1 |
-49.0 |
0.571 |
51 |
0 |
0 |
0.088 |
13 |
|
0 |
295 |
60 |
365847 |
◊ |
Q |
x,y,z |
1_555 |
253 |
59 |
6687 |
2513.7 |
-55.4 |
0.494 |
64 |
0 |
0 |
0.092 |
14 |
|
0 |
282 |
51 |
365847 |
◊ |
J |
x,y,z |
1_555 |
265 |
69 |
8578 |
2449.4 |
-35.6 |
0.686 |
49 |
0 |
0 |
0.072 |
15 |
|
0 |
326 |
54 |
365847 |
◊ |
2 |
x,y,z |
1_555 |
227 |
43 |
5088 |
2415.7 |
-32.1 |
0.616 |
30 |
0 |
0 |
0.069 |
16 |
|
9 |
283 |
42 |
19809 |
◊ |
N |
x,y,z |
1_555 |
238 |
65 |
11293 |
2331.8 |
-35.4 |
0.914 |
66 |
0 |
0 |
0.872 |
17 |
|
0 |
241 |
39 |
365847 |
◊ |
W |
x,y,z |
1_555 |
206 |
52 |
8242 |
2060.9 |
-37.5 |
0.376 |
36 |
0 |
0 |
0.073 |
18 |
|
0 |
238 |
45 |
365847 |
◊ |
K |
x,y,z |
1_555 |
201 |
49 |
7380 |
1951.1 |
-31.9 |
0.746 |
48 |
0 |
0 |
0.076 |
19 |
|
0 |
210 |
31 |
365847 |
◊ |
O |
x,y,z |
1_555 |
189 |
52 |
6571 |
1868.7 |
-27.2 |
0.705 |
43 |
0 |
0 |
0.070 |
20 |
|
0 |
219 |
40 |
365847 |
◊ |
X |
x,y,z |
1_555 |
168 |
40 |
5205 |
1706.3 |
-27.9 |
0.706 |
28 |
0 |
0 |
0.061 |
21 |
|
0 |
213 |
37 |
365847 |
◊ |
E |
x,y,z |
1_555 |
171 |
45 |
10356 |
1652.1 |
-23.0 |
0.440 |
23 |
0 |
0 |
0.050 |
22 |
|
9 |
151 |
21 |
19809 |
◊ |
D |
x,y,z |
1_555 |
126 |
34 |
10121 |
1287.2 |
-19.4 |
0.754 |
15 |
0 |
0 |
0.040 |
23 |
|
0 |
172 |
34 |
365847 |
◊ |
Z |
x,y,z |
1_555 |
125 |
34 |
5622 |
1273.5 |
-15.4 |
0.692 |
24 |
0 |
0 |
0.040 |
24 |
|
0 |
126 |
19 |
365847 |
◊ |
N |
x,y,z |
1_555 |
113 |
30 |
11293 |
1135.2 |
-8.4 |
0.397 |
9 |
0 |
0 |
0.014 |
25 |
|
0 |
120 |
20 |
365847 |
◊ |
D |
x,y,z |
1_555 |
126 |
42 |
10121 |
1108.9 |
-11.8 |
0.910 |
25 |
0 |
0 |
0.035 |
26 |
|
Z |
121 |
35 |
5622 |
◊ |
A |
x,y,z |
1_555 |
110 |
35 |
14503 |
1087.9 |
-14.4 |
0.022 |
18 |
3 |
0 |
0.584 |
27 |
|
0 |
128 |
29 |
365847 |
◊ |
S |
x,y,z |
1_555 |
102 |
32 |
5251 |
1028.8 |
-18.7 |
0.720 |
20 |
0 |
0 |
0.042 |
28 |
|
9 |
117 |
22 |
19809 |
◊ |
0 |
x,y,z |
1_555 |
133 |
33 |
365847 |
1018.4 |
-24.6 |
0.948 |
12 |
0 |
0 |
0.045 |
29 |
|
0 |
119 |
21 |
365847 |
◊ |
V |
x,y,z |
1_555 |
109 |
28 |
4720 |
1004.2 |
-14.5 |
0.753 |
23 |
0 |
0 |
0.038 |
30 |
|
0 |
112 |
18 |
365847 |
◊ |
I |
x,y,z |
1_555 |
99 |
29 |
4835 |
995.1 |
-18.9 |
0.590 |
12 |
0 |
0 |
0.037 |
31 |
|
M |
77 |
20 |
12502 |
◊ |
F |
x,y,z |
1_555 |
75 |
19 |
6311 |
716.2 |
-8.2 |
0.057 |
9 |
4 |
0 |
0.014 |
32 |
|
0 |
92 |
17 |
365847 |
◊ |
U |
x,y,z |
1_555 |
70 |
18 |
4051 |
700.0 |
-9.5 |
0.811 |
8 |
0 |
0 |
0.018 |
33 |
|
0 |
69 |
10 |
365847 |
◊ |
F |
x,y,z |
1_555 |
58 |
19 |
6311 |
623.8 |
-12.7 |
0.527 |
16 |
0 |
0 |
0.027 |
34 |
|
9 |
68 |
11 |
19809 |
◊ |
W |
x,y,z |
1_555 |
48 |
16 |
8242 |
551.4 |
-7.1 |
0.729 |
8 |
0 |
0 |
0.014 |
35 |
|
Q |
52 |
14 |
6687 |
◊ |
N |
x,y,z |
1_555 |
60 |
16 |
11293 |
542.0 |
-8.7 |
0.046 |
2 |
0 |
0 |
0.010 |
36 |
|
U |
53 |
15 |
4051 |
◊ |
K |
x,y,z |
1_555 |
51 |
15 |
7380 |
525.8 |
-8.0 |
0.054 |
6 |
1 |
0 |
0.012 |
37 |
|
0 |
49 |
10 |
365847 |
◊ |
G |
x,y,z |
1_555 |
52 |
13 |
2821 |
471.4 |
-6.3 |
0.720 |
10 |
0 |
0 |
0.012 |
38 |
|
[PPU]4:76 |
29 |
1 |
737 |
◊ |
0 |
x,y,z |
1_555 |
56 |
12 |
365847 |
378.4 |
-1.3 |
0.562 |
3 |
0 |
0 |
0.003 |
39 |
|
V |
36 |
10 |
4720 |
◊ |
S |
x,y,z |
1_555 |
40 |
10 |
5251 |
351.8 |
-4.0 |
0.195 |
1 |
2 |
0 |
0.007 |
40 |
|
K |
32 |
11 |
7380 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
32 |
11 |
7380 |
326.7 |
0.2 |
0.488 |
2 |
4 |
0 |
0.000 |
41 |
|
[1MA]0:628 |
22 |
1 |
501 |
cf |
0 |
x,y,z |
1_555 |
47 |
10 |
365847 |
325.7 |
-1.8 |
0.774 |
5 |
0 |
0 |
0.006 |
42 |
|
J |
29 |
6 |
8578 |
◊ |
E |
x,y,z |
1_555 |
33 |
8 |
10356 |
286.8 |
-3.1 |
0.144 |
3 |
0 |
0 |
0.006 |
43 |
|
[OMG]0:2588 |
24 |
1 |
509 |
cf |
0 |
x,y,z |
1_555 |
45 |
7 |
365847 |
283.3 |
-3.4 |
0.759 |
2 |
0 |
0 |
0.007 |
44 |
|
K |
27 |
9 |
7380 |
◊ |
B |
x,y,z |
1_555 |
38 |
12 |
18624 |
278.1 |
-1.4 |
0.335 |
1 |
0 |
0 |
0.000 |
45 |
|
[OMU]0:2587 |
21 |
1 |
454 |
cf |
0 |
x,y,z |
1_555 |
49 |
11 |
365847 |
275.3 |
-0.8 |
0.830 |
1 |
0 |
0 |
0.002 |
46 |
|
2 |
31 |
7 |
5088 |
◊ |
S |
x,y,z |
1_555 |
33 |
9 |
5251 |
265.3 |
-3.2 |
0.198 |
3 |
1 |
0 |
0.007 |
47 |
|
[UR3]0:2619 |
20 |
1 |
450 |
cf |
0 |
x,y,z |
1_555 |
39 |
6 |
365847 |
259.8 |
-0.1 |
0.877 |
0 |
0 |
0 |
0.000 |
48 |
|
9 |
35 |
8 |
19809 |
◊ |
Q |
x,y,z |
1_555 |
24 |
6 |
6687 |
259.5 |
-2.7 |
0.775 |
7 |
0 |
0 |
0.006 |
49 |
|
[PSU]0:2621 |
19 |
1 |
427 |
cf |
0 |
x,y,z |
1_555 |
39 |
7 |
365847 |
256.7 |
-2.1 |
0.702 |
3 |
0 |
0 |
0.005 |
50 |
|
J |
27 |
9 |
8578 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
18624 |
249.2 |
1.6 |
0.624 |
4 |
1 |
0 |
0.000 |
51 |
|
N |
33 |
11 |
11293 |
◊ |
D |
x,y,z |
1_555 |
23 |
6 |
10121 |
247.5 |
1.5 |
0.724 |
2 |
0 |
0 |
0.000 |
52 |
|
4 |
22 |
2 |
592 |
◊ |
0 |
x,y,z |
1_555 |
35 |
9 |
365847 |
214.0 |
-6.0 |
0.649 |
3 |
0 |
0 |
0.008 |
53 |
|
O |
17 |
4 |
6571 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
14514 |
178.9 |
-1.8 |
0.218 |
0 |
0 |
0 |
0.000 |
54 |
|
U |
16 |
4 |
4051 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
18624 |
178.3 |
-1.9 |
0.272 |
3 |
0 |
0 |
0.000 |
55 |
|
2 |
21 |
5 |
5088 |
◊ |
1 |
x,y,z |
1_555 |
20 |
7 |
4923 |
174.5 |
-2.2 |
0.282 |
0 |
0 |
0 |
0.003 |
56 |
|
0 |
26 |
6 |
365847 |
◊ |
V |
x,-y+1,-z |
4_565 |
15 |
6 |
4720 |
174.1 |
-3.2 |
0.477 |
1 |
0 |
0 |
0.000 |
57 |
|
3 |
17 |
6 |
7951 |
◊ |
M |
x,y,z |
1_555 |
20 |
6 |
12502 |
173.3 |
-2.7 |
0.156 |
1 |
0 |
0 |
0.002 |
58 |
|
1 |
15 |
4 |
4923 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
14514 |
161.8 |
-0.7 |
0.442 |
3 |
4 |
0 |
0.002 |
59 |
|
9 |
28 |
3 |
19809 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
21 |
2 |
365847 |
160.9 |
0.9 |
0.951 |
0 |
0 |
0 |
0.000 |
60 |
|
0 |
15 |
2 |
365847 |
x |
0 |
x-1/2,y-1/2,z |
5_445 |
21 |
4 |
365847 |
151.1 |
-5.2 |
0.548 |
1 |
0 |
0 |
0.000 |
61 |
|
O |
17 |
7 |
6571 |
◊ |
L |
x,y,z |
1_555 |
13 |
5 |
11627 |
138.0 |
-0.6 |
0.350 |
0 |
0 |
0 |
0.000 |
62 |
|
[K]0:8402 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
25 |
12 |
365847 |
134.5 |
-87.5 |
0.000 |
0 |
0 |
0 |
0.133 |
63 |
|
[PPU]4:76 |
19 |
1 |
737 |
cf |
4 |
x,y,z |
1_555 |
15 |
1 |
592 |
128.9 |
1.7 |
0.675 |
0 |
0 |
0 |
0.000 |
64 |
|
[K]0:8401 |
1 |
1 |
216 |
f |
0 |
x,y,z |
1_555 |
19 |
8 |
365847 |
125.9 |
-101.8 |
0.000 |
0 |
0 |
0 |
0.155 |
65 |
|
9 |
14 |
4 |
19809 |
◊ |
H |
x,y,z |
1_555 |
16 |
4 |
9608 |
122.2 |
0.2 |
0.734 |
3 |
0 |
0 |
0.001 |
66 |
|
0 |
19 |
3 |
365847 |
◊ |
0 |
-x+1,y,-z+1/2 |
3_655 |
19 |
3 |
365847 |
120.4 |
0.9 |
0.937 |
2 |
0 |
0 |
0.000 |
67 |
|
N |
14 |
6 |
11293 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
15 |
2 |
365847 |
108.1 |
-2.4 |
0.460 |
0 |
0 |
0 |
0.000 |
68 |
|
[PPU]4:76 |
16 |
1 |
737 |
◊ |
[UR3]0:2619 |
x,y,z |
1_555 |
13 |
1 |
450 |
91.4 |
2.4 |
0.729 |
0 |
0 |
0 |
0.000 |
69 |
|
[CL]0:8805 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
21 |
8 |
365847 |
90.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.017 |
70 |
|
[OMG]0:2588 |
14 |
1 |
509 |
cf |
[OMU]0:2587 |
x,y,z |
1_555 |
14 |
1 |
454 |
89.5 |
-0.6 |
0.530 |
0 |
0 |
0 |
0.000 |
71 |
|
0 |
16 |
7 |
365847 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
13 |
5 |
10356 |
86.5 |
-0.7 |
0.740 |
0 |
0 |
0 |
0.000 |
72 |
|
T |
18 |
5 |
8249 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
14514 |
85.3 |
-1.0 |
0.311 |
0 |
0 |
0 |
0.000 |
73 |
|
[CL]R:8806 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
10 |
4 |
8519 |
74.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.100 |
74 |
|
[CL]M:8818 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
11 |
7 |
12502 |
69.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.100 |
75 |
|
[1MA]0:628 |
8 |
1 |
501 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10636 |
69.1 |
-2.5 |
0.197 |
0 |
0 |
0 |
0.002 |
76 |
|
[CD]O:8705 |
1 |
1 |
112 |
f |
O |
x,y,z |
1_555 |
20 |
7 |
6571 |
69.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.048 |
77 |
|
[CL]3:8804 |
1 |
1 |
125 |
f |
3 |
x,y,z |
1_555 |
16 |
7 |
7951 |
68.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.052 |
78 |
|
[CL]0:8815 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
6 |
365847 |
67.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.015 |
79 |
|
[CL]0:8813 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
12 |
5 |
365847 |
66.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.015 |
80 |
|
[CL]J:8801 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
8578 |
65.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.035 |
81 |
|
W |
7 |
1 |
8242 |
◊ |
0 |
x-1/2,y-1/2,z |
5_445 |
11 |
1 |
365847 |
63.7 |
-1.0 |
0.253 |
0 |
0 |
0 |
0.000 |
82 |
|
[CL]0:8822 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
9 |
3 |
365847 |
63.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.014 |
83 |
|
[CL]O:8808 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
10 |
5 |
6571 |
63.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.052 |
84 |
|
[CL]J:8802 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
13 |
4 |
8578 |
62.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.035 |
85 |
|
[OMG]0:2588 |
5 |
1 |
509 |
◊ |
4 |
x,y,z |
1_555 |
6 |
2 |
592 |
61.9 |
0.7 |
0.631 |
3 |
0 |
0 |
0.000 |
86 |
|
[CL]N:8807 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
9 |
4 |
11293 |
61.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.115 |
87 |
|
[CL]Y:8820 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
14 |
5 |
365847 |
61.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.009 |
88 |
|
[CL]0:8814 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
14 |
4 |
11627 |
60.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.045 |
89 |
|
[CL]B:8819 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
18624 |
59.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.100 |
90 |
|
[CL]A:8809 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
14503 |
59.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.205 |
91 |
|
[CL]L:8810 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
11 |
4 |
11627 |
59.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.055 |
92 |
|
[CL]0:8803 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
12 |
5 |
365847 |
58.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.011 |
93 |
|
[CL]0:8811 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
11 |
5 |
6687 |
57.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.100 |
94 |
|
Y |
6 |
1 |
10636 |
◊ |
L |
x,y,z |
1_555 |
8 |
4 |
11627 |
57.6 |
0.8 |
0.655 |
0 |
0 |
0 |
0.000 |
95 |
|
[CL]J:8821 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
6 |
8578 |
56.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.029 |
96 |
|
[CD]3:8704 |
1 |
1 |
112 |
f |
3 |
x,y,z |
1_555 |
2 |
2 |
7951 |
56.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.048 |
97 |
|
[CL]0:8817 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10636 |
55.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.006 |
98 |
|
[CL]0:8816 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
8578 |
55.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.007 |
99 |
|
[CD]Z:8703 |
1 |
1 |
112 |
f |
Z |
x,y,z |
1_555 |
4 |
3 |
5622 |
52.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.211 |
100 |
|
9 |
7 |
2 |
19809 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
6 |
2 |
18624 |
51.8 |
-0.3 |
0.656 |
2 |
0 |
0 |
0.000 |
101 |
|
[CL]0:8812 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
9 |
4 |
7380 |
51.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.100 |
102 |
|
[CL]0:8816 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
8 |
3 |
365847 |
50.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.010 |
103 |
|
[CL]0:8817 |
1 |
1 |
125 |
f |
0 |
x,y,z |
1_555 |
10 |
3 |
365847 |
49.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.010 |
104 |
|
[PPU]4:76 |
5 |
1 |
737 |
◊ |
[OMG]0:2588 |
x,y,z |
1_555 |
5 |
1 |
509 |
49.0 |
2.1 |
0.711 |
0 |
0 |
0 |
0.000 |
105 |
|
[CL]0:8812 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
10 |
4 |
365847 |
48.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.008 |
106 |
|
[CL]Y:8820 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
6 |
3 |
10636 |
45.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.004 |
107 |
|
[K]0:8402 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
5 |
1 |
12502 |
45.1 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.026 |
108 |
|
[CL]0:8814 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
1 |
365847 |
43.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.005 |
109 |
|
[CL]O:8808 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
9 |
2 |
365847 |
40.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.007 |
110 |
|
[CL]B:8819 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
365847 |
38.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.003 |
111 |
|
D |
6 |
1 |
10121 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
18624 |
37.0 |
-0.6 |
0.405 |
0 |
0 |
0 |
0.000 |
112 |
|
[CL]0:8811 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
2 |
365847 |
35.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.005 |
113 |
|
[CL]L:8810 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
365847 |
33.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.003 |
114 |
|
0 |
4 |
2 |
365847 |
◊ |
F |
x,-y+1,-z |
4_565 |
5 |
1 |
6311 |
32.3 |
-2.0 |
0.287 |
0 |
0 |
0 |
0.000 |
115 |
|
[CL]J:8821 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
6 |
2 |
365847 |
31.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.005 |
116 |
|
[CL]N:8807 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
10121 |
31.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.004 |
117 |
|
3 |
3 |
1 |
7951 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
11627 |
29.6 |
0.7 |
0.476 |
0 |
0 |
0 |
0.000 |
118 |
|
[CL]0:8803 |
1 |
1 |
125 |
◊ |
2 |
x,y,z |
1_555 |
2 |
1 |
5088 |
27.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.005 |
119 |
|
[CL]J:8801 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
10356 |
26.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.004 |
120 |
|
[CL]A:8809 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
5 |
3 |
365847 |
16.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.003 |
121 |
|
G |
2 |
2 |
2821 |
◊ |
0 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
365847 |
16.6 |
0.5 |
0.764 |
0 |
0 |
0 |
0.000 |
122 |
|
[PPU]4:76 |
2 |
1 |
737 |
◊ |
[K]0:8401 |
x,y,z |
1_555 |
1 |
1 |
216 |
15.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.008 |
123 |
|
[CL]R:8806 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
4 |
2 |
365847 |
12.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.001 |
124 |
|
[CL]0:8813 |
1 |
1 |
125 |
◊ |
Y |
x,y,z |
1_555 |
1 |
1 |
10636 |
11.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
125 |
|
[CD]Z:8703 |
1 |
1 |
112 |
◊ |
0 |
x,y,z |
1_555 |
2 |
1 |
365847 |
9.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
126 |
|
[CL]0:8822 |
1 |
1 |
125 |
◊ |
W |
x,y,z |
1_555 |
3 |
1 |
8242 |
8.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.001 |
127 |
|
[CL]Y:8820 |
1 |
1 |
125 |
f |
[CL]0:8813 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.002 |
128 |
|
[CL]N:8807 |
1 |
1 |
125 |
◊ |
9 |
x,y,z |
1_555 |
2 |
2 |
19809 |
6.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.012 |
129 |
|
N |
1 |
1 |
11293 |
◊ |
P |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
10909 |
5.7 |
-0.1 |
0.426 |
0 |
0 |
0 |
0.000 |
130 |
|
[CL]J:8801 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
365847 |
2.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
131 |
|
I |
1 |
1 |
4835 |
◊ |
X |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
1 |
5205 |
2.1 |
-0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
132 |
|
[CL]J:8802 |
1 |
1 |
125 |
◊ |
0 |
x,y,z |
1_555 |
1 |
1 |
365847 |
1.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|