## |
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 |
|
B |
349 |
83 |
12016 |
◊ |
A |
x,y,z |
1_555 |
401 |
104 |
19212 |
3601.1 |
-56.2 |
0.254 |
25 |
8 |
0 |
0.364 |
2 |
|
H |
338 |
83 |
12035 |
◊ |
G |
x,y,z |
1_555 |
393 |
103 |
19072 |
3599.1 |
-56.0 |
0.236 |
22 |
8 |
0 |
0.364 |
3 |
|
L |
350 |
84 |
12037 |
◊ |
K |
x,y,z |
1_555 |
394 |
102 |
19070 |
3588.8 |
-56.8 |
0.241 |
26 |
10 |
0 |
0.364 |
4 |
|
E |
350 |
83 |
12055 |
◊ |
D |
x,y,z |
1_555 |
388 |
103 |
18947 |
3569.2 |
-56.5 |
0.236 |
25 |
9 |
0 |
0.364 |
Average: |
3589.5 |
-56.4 |
0.242 |
25 |
9 |
0 |
0.364 |
2 |
5 |
|
F |
265 |
72 |
18798 |
◊ |
D |
x,y,z |
1_555 |
260 |
70 |
18947 |
2428.3 |
-36.1 |
0.515 |
22 |
12 |
0 |
0.251 |
6 |
|
C |
252 |
67 |
18628 |
◊ |
A |
x,y,z |
1_555 |
254 |
68 |
19212 |
2428.1 |
-38.4 |
0.368 |
22 |
8 |
0 |
0.251 |
7 |
|
I |
243 |
66 |
18579 |
◊ |
G |
x,y,z |
1_555 |
254 |
68 |
19072 |
2415.8 |
-37.9 |
0.384 |
22 |
12 |
0 |
0.251 |
8 |
|
M |
254 |
63 |
18811 |
◊ |
K |
x,y,z |
1_555 |
249 |
69 |
19070 |
2365.3 |
-37.3 |
0.430 |
17 |
10 |
0 |
0.251 |
Average: |
2409.4 |
-37.4 |
0.424 |
21 |
11 |
0 |
0.251 |
3 |
9 |
|
F |
145 |
37 |
18798 |
◊ |
E |
x,y,z |
1_555 |
142 |
37 |
12055 |
1194.7 |
-12.7 |
0.620 |
9 |
3 |
0 |
0.169 |
10 |
|
C |
135 |
36 |
18628 |
◊ |
B |
x,y,z |
1_555 |
132 |
34 |
12016 |
1134.7 |
-11.8 |
0.613 |
7 |
1 |
0 |
0.169 |
11 |
|
I |
140 |
36 |
18579 |
◊ |
H |
x,y,z |
1_555 |
136 |
35 |
12035 |
1126.3 |
-12.2 |
0.648 |
8 |
1 |
0 |
0.169 |
12 |
|
M |
133 |
34 |
18811 |
◊ |
L |
x,y,z |
1_555 |
131 |
34 |
12037 |
1120.4 |
-11.7 |
0.638 |
7 |
2 |
0 |
0.169 |
Average: |
1144.0 |
-12.1 |
0.630 |
8 |
2 |
0 |
0.169 |
4 |
13 |
|
N |
91 |
21 |
2891 |
◊ |
A |
x,y,z |
1_555 |
103 |
29 |
19212 |
1000.7 |
-30.0 |
0.181 |
1 |
1 |
0 |
0.256 |
14 |
|
P |
89 |
21 |
2901 |
◊ |
G |
x,y,z |
1_555 |
111 |
29 |
19072 |
999.8 |
-29.7 |
0.223 |
1 |
1 |
0 |
0.256 |
15 |
|
O |
82 |
21 |
2906 |
◊ |
D |
x,y,z |
1_555 |
102 |
30 |
18947 |
965.6 |
-28.2 |
0.217 |
1 |
1 |
0 |
0.256 |
16 |
|
Q |
83 |
21 |
2822 |
◊ |
K |
x,y,z |
1_555 |
101 |
28 |
19070 |
950.8 |
-28.0 |
0.206 |
1 |
1 |
0 |
0.256 |
Average: |
979.2 |
-29.0 |
0.207 |
1 |
1 |
0 |
0.256 |
5 |
17 |
|
[HEC]F:401 |
43 |
1 |
843 |
cf |
F |
x,y,z |
1_555 |
77 |
28 |
18798 |
586.7 |
-25.7 |
0.275 |
6 |
0 |
0 |
0.278 |
18 |
|
[HEC]M:402 |
43 |
1 |
849 |
cf |
M |
x,y,z |
1_555 |
76 |
30 |
18811 |
553.6 |
-23.0 |
0.388 |
8 |
0 |
0 |
0.278 |
19 |
|
[HEC]C:401 |
43 |
1 |
836 |
cf |
C |
x,y,z |
1_555 |
74 |
28 |
18628 |
551.7 |
-22.8 |
0.354 |
7 |
0 |
0 |
0.278 |
20 |
|
[HEC]I:402 |
43 |
1 |
847 |
cf |
I |
x,y,z |
1_555 |
77 |
30 |
18579 |
549.0 |
-22.9 |
0.394 |
7 |
0 |
0 |
0.278 |
Average: |
560.3 |
-23.6 |
0.353 |
7 |
0 |
0 |
0.278 |
6 |
21 |
|
[HEC]M:403 |
43 |
1 |
852 |
cf |
M |
x,y,z |
1_555 |
72 |
29 |
18811 |
572.8 |
-23.1 |
0.327 |
3 |
0 |
0 |
0.255 |
22 |
|
[HEC]F:402 |
43 |
1 |
854 |
cf |
F |
x,y,z |
1_555 |
77 |
30 |
18798 |
569.6 |
-22.9 |
0.362 |
4 |
0 |
0 |
0.255 |
23 |
|
[HEC]C:402 |
43 |
1 |
849 |
cf |
C |
x,y,z |
1_555 |
72 |
29 |
18628 |
568.3 |
-23.0 |
0.327 |
3 |
0 |
0 |
0.255 |
24 |
|
[HEC]I:403 |
43 |
1 |
846 |
cf |
I |
x,y,z |
1_555 |
72 |
30 |
18579 |
564.7 |
-22.7 |
0.350 |
3 |
0 |
0 |
0.255 |
Average: |
568.9 |
-22.9 |
0.342 |
3 |
0 |
0 |
0.255 |
7 |
25 |
|
M |
59 |
23 |
18811 |
◊ |
M |
-x+1,-y+1,z |
2_665 |
58 |
23 |
18811 |
572.8 |
-9.0 |
0.289 |
0 |
0 |
0 |
0.021 |
26 |
|
I |
58 |
22 |
18579 |
◊ |
C |
x,y,z |
1_555 |
61 |
24 |
18628 |
561.3 |
-9.4 |
0.258 |
0 |
0 |
0 |
0.021 |
Average: |
567.1 |
-9.2 |
0.274 |
0 |
0 |
0 |
0.021 |
8 |
27 |
|
[HEM]K:502 |
43 |
1 |
829 |
f |
K |
x,y,z |
1_555 |
75 |
33 |
19070 |
542.6 |
-19.8 |
0.712 |
4 |
0 |
0 |
0.184 |
28 |
|
[HEM]A:502 |
43 |
1 |
824 |
f |
A |
x,y,z |
1_555 |
76 |
32 |
19212 |
538.4 |
-19.5 |
0.729 |
4 |
0 |
0 |
0.184 |
29 |
|
[HEM]D:502 |
43 |
1 |
825 |
f |
D |
x,y,z |
1_555 |
78 |
33 |
18947 |
537.9 |
-19.7 |
0.726 |
4 |
0 |
0 |
0.184 |
30 |
|
[HEM]G:502 |
43 |
1 |
824 |
f |
G |
x,y,z |
1_555 |
78 |
33 |
19072 |
537.2 |
-19.6 |
0.726 |
4 |
0 |
0 |
0.184 |
Average: |
539.0 |
-19.7 |
0.723 |
4 |
0 |
0 |
0.184 |
9 |
31 |
|
[HEM]K:501 |
43 |
1 |
809 |
f |
K |
x,y,z |
1_555 |
91 |
34 |
19070 |
536.5 |
-17.0 |
0.766 |
5 |
0 |
0 |
0.174 |
32 |
|
[HEM]D:501 |
43 |
1 |
813 |
f |
D |
x,y,z |
1_555 |
84 |
32 |
18947 |
536.2 |
-18.0 |
0.722 |
6 |
0 |
0 |
0.174 |
33 |
|
[HEM]G:501 |
43 |
1 |
812 |
f |
G |
x,y,z |
1_555 |
87 |
33 |
19072 |
534.4 |
-17.0 |
0.756 |
3 |
0 |
0 |
0.174 |
34 |
|
[HEM]A:501 |
43 |
1 |
813 |
f |
A |
x,y,z |
1_555 |
88 |
33 |
19212 |
533.8 |
-17.8 |
0.745 |
4 |
0 |
0 |
0.174 |
Average: |
535.2 |
-17.5 |
0.747 |
5 |
0 |
0 |
0.174 |
10 |
35 |
|
[HEC]L:301 |
43 |
1 |
820 |
cf |
L |
x,y,z |
1_555 |
73 |
26 |
12037 |
523.0 |
-20.3 |
0.275 |
2 |
0 |
0 |
0.222 |
36 |
|
[HEC]E:301 |
43 |
1 |
817 |
cf |
E |
x,y,z |
1_555 |
73 |
26 |
12055 |
519.1 |
-20.3 |
0.253 |
3 |
0 |
0 |
0.222 |
37 |
|
[HEC]H:301 |
43 |
1 |
819 |
cf |
H |
x,y,z |
1_555 |
72 |
26 |
12035 |
516.9 |
-20.2 |
0.269 |
3 |
0 |
0 |
0.222 |
38 |
|
[HEC]B:301 |
43 |
1 |
817 |
cf |
B |
x,y,z |
1_555 |
72 |
27 |
12016 |
515.1 |
-20.2 |
0.268 |
2 |
0 |
0 |
0.222 |
Average: |
518.5 |
-20.3 |
0.266 |
3 |
0 |
0 |
0.222 |
11 |
39 |
|
I |
32 |
11 |
18579 |
◊ |
C |
x,y,z-1 |
1_554 |
26 |
8 |
18628 |
241.1 |
-1.0 |
0.792 |
3 |
1 |
0 |
0.000 |
12 |
40 |
|
I |
27 |
10 |
18579 |
◊ |
B |
x,y,z |
1_555 |
27 |
13 |
12016 |
219.7 |
2.6 |
0.950 |
3 |
1 |
0 |
0.000 |
41 |
|
M |
25 |
10 |
18811 |
◊ |
L |
-x+1,-y+1,z |
2_665 |
23 |
10 |
12037 |
206.0 |
2.7 |
0.949 |
3 |
1 |
0 |
0.000 |
42 |
|
C |
24 |
9 |
18628 |
◊ |
H |
x,y,z |
1_555 |
22 |
9 |
12035 |
199.3 |
2.4 |
0.934 |
3 |
0 |
0 |
0.000 |
Average: |
208.3 |
2.6 |
0.944 |
3 |
1 |
0 |
0.000 |
13 |
43 |
|
M |
27 |
11 |
18811 |
◊ |
C |
x,y,z |
1_555 |
31 |
12 |
18628 |
205.7 |
1.1 |
0.911 |
3 |
2 |
0 |
0.001 |
14 |
44 |
|
I |
18 |
7 |
18579 |
◊ |
E |
x,y,z |
1_555 |
21 |
6 |
12055 |
196.0 |
-0.6 |
0.667 |
2 |
1 |
0 |
0.004 |
45 |
|
F |
18 |
6 |
18798 |
◊ |
H |
x,y,z |
1_555 |
20 |
6 |
12035 |
190.9 |
-0.3 |
0.695 |
1 |
1 |
0 |
0.004 |
Average: |
193.5 |
-0.5 |
0.681 |
2 |
1 |
0 |
0.004 |
15 |
46 |
|
C |
18 |
8 |
18628 |
◊ |
L |
x,y,z |
1_555 |
18 |
6 |
12037 |
179.5 |
-0.8 |
0.620 |
0 |
1 |
0 |
0.003 |
47 |
|
M |
19 |
7 |
18811 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
12016 |
175.8 |
-0.7 |
0.661 |
0 |
1 |
0 |
0.003 |
Average: |
177.6 |
-0.8 |
0.640 |
0 |
1 |
0 |
0.003 |
16 |
48 |
|
I |
29 |
13 |
18579 |
◊ |
F |
x,y,z |
1_555 |
28 |
12 |
18798 |
176.3 |
0.2 |
0.869 |
1 |
0 |
0 |
0.000 |
17 |
49 |
|
[FC6]F:403 |
10 |
1 |
372 |
f |
F |
x,y,z |
1_555 |
21 |
7 |
18798 |
145.7 |
-3.1 |
0.460 |
0 |
0 |
0 |
0.031 |
50 |
|
[FC6]I:401 |
10 |
1 |
372 |
f |
I |
x,y,z |
1_555 |
22 |
7 |
18579 |
144.3 |
-3.0 |
0.461 |
0 |
0 |
0 |
0.031 |
Average: |
145.0 |
-3.0 |
0.460 |
0 |
0 |
0 |
0.031 |
18 |
51 |
|
[FC6]F:403 |
10 |
1 |
372 |
◊ |
I |
x,y,z |
1_555 |
23 |
8 |
18579 |
145.2 |
1.4 |
0.780 |
0 |
0 |
0 |
0.000 |
52 |
|
[FC6]I:401 |
10 |
1 |
372 |
◊ |
F |
x,y,z |
1_555 |
24 |
8 |
18798 |
145.1 |
1.3 |
0.782 |
0 |
0 |
0 |
0.000 |
53 |
|
[FC6]C:403 |
10 |
1 |
372 |
◊ |
M |
x,y,z |
1_555 |
24 |
9 |
18811 |
140.0 |
1.4 |
0.785 |
0 |
0 |
0 |
0.000 |
54 |
|
[FC6]M:401 |
10 |
1 |
371 |
◊ |
C |
x,y,z |
1_555 |
22 |
9 |
18628 |
136.8 |
1.3 |
0.708 |
0 |
0 |
0 |
0.000 |
Average: |
141.8 |
1.4 |
0.764 |
0 |
0 |
0 |
0.000 |
19 |
55 |
|
[FC6]M:401 |
10 |
1 |
371 |
f |
M |
x,y,z |
1_555 |
19 |
7 |
18811 |
140.2 |
-2.6 |
0.435 |
0 |
0 |
0 |
0.027 |
56 |
|
[FC6]C:403 |
10 |
1 |
372 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
18628 |
137.9 |
-2.6 |
0.474 |
0 |
0 |
0 |
0.027 |
Average: |
139.0 |
-2.6 |
0.454 |
0 |
0 |
0 |
0.027 |
20 |
57 |
|
[HEC]H:301 |
10 |
1 |
819 |
◊ |
G |
x,y,z |
1_555 |
14 |
7 |
19072 |
138.0 |
-4.3 |
0.376 |
0 |
0 |
0 |
0.023 |
58 |
|
[HEC]E:301 |
10 |
1 |
817 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
18947 |
138.0 |
-4.3 |
0.414 |
0 |
0 |
0 |
0.023 |
59 |
|
[HEC]B:301 |
10 |
1 |
817 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
19212 |
136.8 |
-4.2 |
0.428 |
0 |
0 |
0 |
0.023 |
60 |
|
[HEC]L:301 |
9 |
1 |
820 |
◊ |
K |
x,y,z |
1_555 |
15 |
7 |
19070 |
136.5 |
-4.2 |
0.404 |
0 |
0 |
0 |
0.023 |
Average: |
137.4 |
-4.2 |
0.406 |
0 |
0 |
0 |
0.023 |
21 |
61 |
|
[PO4]K:506 |
5 |
1 |
188 |
f |
K |
x,y,z |
1_555 |
9 |
5 |
19070 |
83.5 |
-5.7 |
0.834 |
2 |
0 |
0 |
0.056 |
22 |
62 |
|
[HEC]F:402 |
7 |
1 |
854 |
◊ |
E |
x,y,z |
1_555 |
13 |
4 |
12055 |
82.7 |
-1.7 |
0.760 |
0 |
0 |
0 |
0.018 |
63 |
|
[HEC]I:403 |
6 |
1 |
846 |
◊ |
H |
x,y,z |
1_555 |
13 |
4 |
12035 |
80.9 |
-1.7 |
0.710 |
0 |
0 |
0 |
0.018 |
64 |
|
[HEC]M:403 |
6 |
1 |
852 |
◊ |
L |
x,y,z |
1_555 |
12 |
4 |
12037 |
79.4 |
-1.7 |
0.707 |
0 |
0 |
0 |
0.018 |
65 |
|
[HEC]C:402 |
5 |
1 |
849 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12016 |
75.6 |
-1.6 |
0.666 |
0 |
0 |
0 |
0.018 |
Average: |
79.7 |
-1.7 |
0.711 |
0 |
0 |
0 |
0.018 |
23 |
66 |
|
[PO4]A:506 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19212 |
81.2 |
-5.7 |
0.822 |
3 |
0 |
0 |
0.058 |
24 |
67 |
|
[PO4]G:506 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
19072 |
81.2 |
-5.5 |
0.807 |
2 |
0 |
0 |
0.054 |
25 |
68 |
|
[PO4]D:505 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
18947 |
80.4 |
-5.5 |
0.816 |
2 |
0 |
0 |
0.054 |
26 |
69 |
|
M |
8 |
2 |
18811 |
◊ |
F |
x-1,y,z |
1_455 |
10 |
2 |
18798 |
73.4 |
-0.6 |
0.642 |
0 |
0 |
0 |
0.000 |
27 |
70 |
|
[HEM]G:502 |
6 |
1 |
824 |
f |
[HEM]G:501 |
x,y,z |
1_555 |
6 |
1 |
812 |
70.0 |
-3.8 |
0.595 |
0 |
0 |
0 |
0.033 |
71 |
|
[HEM]K:502 |
6 |
1 |
829 |
f |
[HEM]K:501 |
x,y,z |
1_555 |
6 |
1 |
809 |
69.6 |
-3.8 |
0.590 |
0 |
0 |
0 |
0.033 |
72 |
|
[HEM]A:502 |
6 |
1 |
824 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
813 |
68.8 |
-3.7 |
0.540 |
0 |
0 |
0 |
0.033 |
73 |
|
[HEM]D:502 |
7 |
1 |
825 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
6 |
1 |
813 |
68.7 |
-3.6 |
0.678 |
0 |
0 |
0 |
0.033 |
Average: |
69.2 |
-3.7 |
0.601 |
0 |
0 |
0 |
0.033 |
28 |
74 |
|
[HEC]I:402 |
3 |
1 |
847 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
18628 |
62.5 |
-1.8 |
0.357 |
0 |
0 |
0 |
0.008 |
75 |
|
[HEC]M:402 |
3 |
1 |
849 |
◊ |
M |
-x+1,-y+1,z |
2_665 |
6 |
3 |
18811 |
62.3 |
-1.8 |
0.395 |
0 |
0 |
0 |
0.008 |
76 |
|
[HEC]C:401 |
4 |
1 |
836 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
18579 |
56.5 |
-1.6 |
0.442 |
0 |
0 |
0 |
0.008 |
Average: |
60.4 |
-1.7 |
0.398 |
0 |
0 |
0 |
0.008 |
29 |
77 |
|
[PO4]D:505 |
4 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
18798 |
62.4 |
-3.7 |
0.830 |
1 |
0 |
0 |
0.021 |
78 |
|
[PO4]A:506 |
4 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
18628 |
61.5 |
-3.3 |
0.855 |
1 |
0 |
0 |
0.021 |
Average: |
62.0 |
-3.5 |
0.843 |
1 |
0 |
0 |
0.021 |
30 |
79 |
|
[PO4]G:506 |
4 |
1 |
187 |
◊ |
I |
x,y,z |
1_555 |
9 |
4 |
18579 |
59.8 |
-3.3 |
0.857 |
1 |
0 |
0 |
0.019 |
31 |
80 |
|
[PO4]K:506 |
4 |
1 |
188 |
◊ |
M |
x,y,z |
1_555 |
7 |
3 |
18811 |
58.8 |
-2.9 |
0.839 |
0 |
0 |
0 |
0.015 |
32 |
81 |
|
[HEM]D:502 |
6 |
1 |
825 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
12055 |
57.5 |
-2.9 |
0.466 |
0 |
0 |
0 |
0.015 |
82 |
|
[HEM]A:502 |
6 |
1 |
824 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
12016 |
57.5 |
-2.9 |
0.470 |
0 |
0 |
0 |
0.015 |
83 |
|
[HEM]G:502 |
6 |
1 |
824 |
◊ |
H |
x,y,z |
1_555 |
11 |
5 |
12035 |
54.9 |
-2.7 |
0.503 |
0 |
0 |
0 |
0.015 |
84 |
|
[HEM]K:502 |
6 |
1 |
829 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
12037 |
53.3 |
-2.6 |
0.532 |
0 |
0 |
0 |
0.015 |
Average: |
55.8 |
-2.8 |
0.493 |
0 |
0 |
0 |
0.015 |
33 |
85 |
|
[PEO]G:505 |
2 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
19072 |
50.3 |
0.8 |
0.934 |
3 |
0 |
0 |
0.005 |
34 |
86 |
|
[PEO]K:507 |
2 |
1 |
124 |
f |
K |
x,y,z |
1_555 |
12 |
6 |
19070 |
49.9 |
0.7 |
0.930 |
2 |
0 |
0 |
0.001 |
35 |
87 |
|
[PEO]D:506 |
2 |
1 |
124 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
18947 |
49.8 |
0.8 |
0.935 |
2 |
0 |
0 |
0.000 |
36 |
88 |
|
[PEO]A:505 |
2 |
1 |
124 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
19212 |
49.8 |
0.8 |
0.936 |
4 |
0 |
0 |
0.008 |
37 |
89 |
|
[CA]K:505 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
10 |
7 |
19070 |
45.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.107 |
90 |
|
[CA]D:504 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
6 |
18947 |
45.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.107 |
91 |
|
[CA]A:504 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
19212 |
44.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.107 |
92 |
|
[CA]G:504 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
7 |
6 |
19072 |
44.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
44.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.107 |
38 |
93 |
|
[CU]A:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
19212 |
40.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.061 |
94 |
|
[CU]G:503 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
19072 |
40.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.061 |
95 |
|
[CU]D:503 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
18947 |
39.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.061 |
96 |
|
[CU]K:503 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
7 |
4 |
19070 |
39.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
40.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.061 |
39 |
97 |
|
[HEC]E:301 |
7 |
1 |
817 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
18798 |
40.5 |
-2.3 |
0.295 |
0 |
0 |
0 |
0.023 |
98 |
|
[HEC]H:301 |
7 |
1 |
819 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
18579 |
37.6 |
-2.1 |
0.410 |
0 |
0 |
0 |
0.023 |
99 |
|
[HEC]B:301 |
6 |
1 |
817 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
18628 |
35.2 |
-2.0 |
0.360 |
0 |
0 |
0 |
0.023 |
100 |
|
[HEC]L:301 |
7 |
1 |
820 |
◊ |
M |
x,y,z |
1_555 |
4 |
1 |
18811 |
34.2 |
-1.9 |
0.474 |
0 |
0 |
0 |
0.023 |
Average: |
36.9 |
-2.1 |
0.385 |
0 |
0 |
0 |
0.023 |
40 |
101 |
|
F |
6 |
2 |
18798 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
3_647 |
3 |
1 |
19212 |
39.1 |
-0.3 |
0.652 |
1 |
0 |
0 |
0.000 |
41 |
102 |
|
[HEC]F:402 |
4 |
1 |
854 |
f |
[HEC]F:401 |
x,y,z |
1_555 |
4 |
1 |
843 |
37.2 |
-3.1 |
0.506 |
0 |
0 |
0 |
0.031 |
103 |
|
[HEC]I:403 |
4 |
1 |
846 |
f |
[HEC]I:402 |
x,y,z |
1_555 |
4 |
1 |
847 |
36.0 |
-3.1 |
0.493 |
0 |
0 |
0 |
0.031 |
104 |
|
[HEC]C:402 |
4 |
1 |
849 |
f |
[HEC]C:401 |
x,y,z |
1_555 |
4 |
1 |
836 |
35.1 |
-3.0 |
0.513 |
0 |
0 |
0 |
0.031 |
105 |
|
[HEC]M:403 |
4 |
1 |
852 |
f |
[HEC]M:402 |
x,y,z |
1_555 |
4 |
1 |
849 |
35.0 |
-3.0 |
0.516 |
0 |
0 |
0 |
0.031 |
Average: |
35.8 |
-3.0 |
0.507 |
0 |
0 |
0 |
0.031 |
42 |
106 |
|
[PEO]D:506 |
2 |
1 |
124 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
16 |
1 |
813 |
33.5 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.002 |
43 |
107 |
|
[PEO]K:507 |
2 |
1 |
124 |
f |
[HEM]K:501 |
x,y,z |
1_555 |
16 |
1 |
809 |
32.8 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.002 |
44 |
108 |
|
[PEO]A:505 |
2 |
1 |
124 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
16 |
1 |
813 |
32.6 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.002 |
45 |
109 |
|
[PEO]G:505 |
2 |
1 |
125 |
f |
[HEM]G:501 |
x,y,z |
1_555 |
16 |
1 |
812 |
32.5 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.002 |
46 |
110 |
|
[HEM]A:501 |
4 |
1 |
813 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
12016 |
31.9 |
-1.8 |
0.439 |
1 |
0 |
0 |
0.012 |
111 |
|
[HEM]D:501 |
5 |
1 |
813 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
12055 |
31.8 |
-1.7 |
0.544 |
1 |
0 |
0 |
0.012 |
112 |
|
[HEM]K:501 |
5 |
1 |
809 |
◊ |
L |
x,y,z |
1_555 |
4 |
1 |
12037 |
31.5 |
-1.7 |
0.543 |
1 |
0 |
0 |
0.012 |
113 |
|
[HEM]G:501 |
4 |
1 |
812 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
12035 |
30.9 |
-1.8 |
0.460 |
1 |
0 |
0 |
0.012 |
Average: |
31.5 |
-1.8 |
0.497 |
1 |
0 |
0 |
0.012 |
47 |
114 |
|
[CA]D:507 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
18947 |
31.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.037 |
115 |
|
[CA]G:507 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
8 |
6 |
19072 |
31.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.037 |
116 |
|
[CA]A:507 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
19212 |
31.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.037 |
117 |
|
[CA]K:504 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
8 |
6 |
19070 |
30.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
31.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.037 |
48 |
118 |
|
[CU]K:503 |
1 |
1 |
125 |
f |
[HEM]K:501 |
x,y,z |
1_555 |
15 |
1 |
809 |
28.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.033 |
119 |
|
[CU]A:503 |
1 |
1 |
125 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
16 |
1 |
813 |
28.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.033 |
120 |
|
[CU]G:503 |
1 |
1 |
125 |
f |
[HEM]G:501 |
x,y,z |
1_555 |
14 |
1 |
812 |
28.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.033 |
121 |
|
[CU]D:503 |
1 |
1 |
125 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
15 |
1 |
813 |
27.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
28.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.033 |
49 |
122 |
|
L |
3 |
1 |
12037 |
◊ |
F |
x-1,y,z |
1_455 |
2 |
1 |
18798 |
28.4 |
0.8 |
0.908 |
0 |
0 |
0 |
0.000 |
50 |
123 |
|
[PEO]K:507 |
2 |
1 |
124 |
f |
[CU]K:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.019 |
51 |
124 |
|
[PEO]G:505 |
2 |
1 |
125 |
f |
[CU]G:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.018 |
125 |
|
[PEO]D:506 |
2 |
1 |
124 |
f |
[CU]D:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
22.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.018 |
52 |
126 |
|
[PEO]A:505 |
2 |
1 |
124 |
f |
[CU]A:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.017 |
53 |
127 |
|
[CA]K:504 |
1 |
1 |
85 |
f |
[HEM]K:502 |
x,y,z |
1_555 |
3 |
1 |
829 |
20.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.061 |
128 |
|
[CA]A:507 |
1 |
1 |
85 |
f |
[HEM]A:502 |
x,y,z |
1_555 |
3 |
1 |
824 |
20.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.061 |
129 |
|
[CA]D:507 |
1 |
1 |
85 |
f |
[HEM]D:502 |
x,y,z |
1_555 |
3 |
1 |
825 |
20.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.061 |
130 |
|
[CA]G:507 |
1 |
1 |
85 |
f |
[HEM]G:502 |
x,y,z |
1_555 |
3 |
1 |
824 |
19.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.061 |
131 |
|
[CA]G:507 |
1 |
1 |
85 |
f |
[HEM]G:501 |
x,y,z |
1_555 |
4 |
1 |
812 |
18.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.061 |
132 |
|
[CA]A:507 |
1 |
1 |
85 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
3 |
1 |
813 |
18.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.061 |
133 |
|
[CA]D:507 |
1 |
1 |
85 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
3 |
1 |
813 |
17.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.061 |
134 |
|
[CA]K:504 |
1 |
1 |
85 |
f |
[HEM]K:501 |
x,y,z |
1_555 |
3 |
1 |
809 |
16.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
19.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.061 |
54 |
135 |
|
K |
3 |
2 |
19070 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
3 |
18798 |
19.9 |
-0.8 |
0.371 |
0 |
0 |
0 |
0.000 |
55 |
136 |
|
[CA]K:504 |
1 |
1 |
85 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
12037 |
19.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.015 |
137 |
|
[CA]G:507 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
12035 |
18.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.015 |
138 |
|
[CA]D:507 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
12055 |
18.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.015 |
139 |
|
[CA]A:507 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12016 |
18.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
18.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.015 |
56 |
140 |
|
G |
4 |
2 |
19072 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
3 |
18628 |
18.0 |
-0.4 |
0.572 |
0 |
0 |
0 |
0.000 |
57 |
141 |
|
C |
3 |
3 |
18628 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
19070 |
17.7 |
0.1 |
0.758 |
0 |
0 |
0 |
0.000 |
142 |
|
M |
3 |
3 |
18811 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
19212 |
16.6 |
0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
Average: |
17.1 |
0.1 |
0.754 |
0 |
0 |
0 |
0.000 |
58 |
143 |
|
I |
3 |
3 |
18579 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
18947 |
17.4 |
0.2 |
0.831 |
0 |
0 |
0 |
0.000 |
144 |
|
F |
4 |
3 |
18798 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
19072 |
16.6 |
0.2 |
0.830 |
0 |
0 |
0 |
0.000 |
Average: |
17.0 |
0.2 |
0.830 |
0 |
0 |
0 |
0.000 |
59 |
145 |
|
E |
3 |
2 |
12055 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
3_647 |
5 |
3 |
19212 |
11.9 |
0.4 |
0.845 |
0 |
0 |
0 |
0.000 |
60 |
146 |
|
A |
1 |
1 |
19212 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
1 |
1 |
19212 |
8.6 |
0.2 |
0.904 |
0 |
0 |
0 |
0.000 |
61 |
147 |
|
O |
1 |
1 |
2906 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
12055 |
3.4 |
-0.1 |
0.567 |
0 |
0 |
0 |
0.000 |
148 |
|
N |
1 |
1 |
2891 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12016 |
0.7 |
-0.0 |
0.657 |
0 |
0 |
0 |
0.000 |
149 |
|
Q |
1 |
1 |
2822 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
12037 |
0.2 |
-0.0 |
0.711 |
0 |
0 |
0 |
0.000 |
Average: |
1.5 |
-0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
62 |
150 |
|
O |
1 |
1 |
2906 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
18798 |
2.6 |
0.1 |
0.843 |
0 |
0 |
0 |
0.000 |
151 |
|
N |
1 |
1 |
2891 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18628 |
1.7 |
0.1 |
0.825 |
0 |
0 |
0 |
0.000 |
Average: |
2.1 |
0.1 |
0.834 |
0 |
0 |
0 |
0.000 |
|