| ## |
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 |
|
L |
648 |
165 |
22744 |
◊ |
J |
x,y,z |
1_555 |
501 |
88 |
10863 |
5484.1 |
-50.5 |
0.303 |
94 |
29 |
0 |
0.888 |
2 |
|
K |
641 |
168 |
22986 |
◊ |
I |
x,y,z |
1_555 |
495 |
88 |
10776 |
5480.4 |
-49.1 |
0.328 |
91 |
28 |
0 |
0.888 |
3 |
|
D |
632 |
164 |
22888 |
◊ |
B |
x,y,z |
1_555 |
498 |
88 |
10786 |
5457.1 |
-50.3 |
0.298 |
95 |
30 |
0 |
0.888 |
4 |
|
G |
646 |
164 |
22912 |
◊ |
E |
x,y,z |
1_555 |
495 |
89 |
10809 |
5448.8 |
-52.7 |
0.257 |
90 |
29 |
0 |
0.888 |
5 |
|
O |
645 |
168 |
22875 |
◊ |
M |
x,y,z |
1_555 |
495 |
89 |
10840 |
5446.0 |
-52.1 |
0.245 |
90 |
26 |
0 |
0.888 |
6 |
|
P |
650 |
166 |
22848 |
◊ |
N |
x,y,z |
1_555 |
497 |
88 |
10823 |
5442.9 |
-51.3 |
0.259 |
84 |
28 |
0 |
0.888 |
7 |
|
H |
641 |
166 |
22941 |
◊ |
F |
x,y,z |
1_555 |
500 |
89 |
10788 |
5440.8 |
-50.9 |
0.272 |
96 |
31 |
0 |
0.888 |
8 |
|
C |
634 |
163 |
22857 |
◊ |
A |
x,y,z |
1_555 |
494 |
89 |
10829 |
5436.9 |
-52.1 |
0.276 |
92 |
29 |
0 |
0.888 |
| Average: |
5454.6 |
-51.1 |
0.280 |
92 |
29 |
0 |
0.888 |
| 2 |
9 |
|
F |
58 |
21 |
10788 |
◊ |
E |
x,y,z |
1_555 |
59 |
21 |
10809 |
569.8 |
-2.9 |
0.780 |
3 |
3 |
0 |
0.000 |
10 |
|
B |
59 |
20 |
10786 |
◊ |
A |
x,y,z |
1_555 |
56 |
20 |
10829 |
554.1 |
-3.9 |
0.727 |
4 |
2 |
0 |
0.000 |
11 |
|
J |
57 |
19 |
10863 |
◊ |
I |
x,y,z |
1_555 |
57 |
20 |
10776 |
542.8 |
-3.3 |
0.755 |
4 |
3 |
0 |
0.000 |
12 |
|
N |
57 |
20 |
10823 |
◊ |
M |
x,y,z |
1_555 |
57 |
20 |
10840 |
542.7 |
-3.0 |
0.755 |
3 |
3 |
0 |
0.000 |
| Average: |
552.3 |
-3.3 |
0.754 |
4 |
3 |
0 |
0.000 |
| 3 |
13 |
|
G |
56 |
19 |
22912 |
◊ |
L |
x-1,y,z+1 |
1_456 |
54 |
21 |
22744 |
489.5 |
2.6 |
0.844 |
1 |
0 |
0 |
0.000 |
14 |
|
O |
52 |
21 |
22875 |
◊ |
D |
x-1,y,z-1 |
1_454 |
49 |
20 |
22888 |
463.7 |
2.3 |
0.817 |
3 |
0 |
0 |
0.000 |
| Average: |
476.6 |
2.4 |
0.831 |
2 |
0 |
0 |
0.000 |
| 4 |
15 |
|
[HEM]F:202 |
43 |
1 |
846 |
cf |
H |
x,y,z |
1_555 |
54 |
24 |
22941 |
428.8 |
-12.2 |
0.720 |
3 |
0 |
0 |
0.226 |
16 |
|
[HEM]B:202 |
43 |
1 |
843 |
cf |
D |
x,y,z |
1_555 |
60 |
23 |
22888 |
427.2 |
-12.3 |
0.721 |
3 |
0 |
0 |
0.226 |
17 |
|
[HEM]I:1602 |
43 |
1 |
844 |
cf |
K |
x,y,z |
1_555 |
55 |
22 |
22986 |
426.6 |
-12.4 |
0.714 |
3 |
0 |
0 |
0.226 |
18 |
|
[HEM]E:1602 |
42 |
1 |
840 |
cf |
G |
x,y,z |
1_555 |
57 |
22 |
22912 |
426.1 |
-12.2 |
0.727 |
3 |
0 |
0 |
0.226 |
19 |
|
[HEM]N:202 |
43 |
1 |
843 |
cf |
P |
x,y,z |
1_555 |
54 |
22 |
22848 |
424.7 |
-12.1 |
0.729 |
3 |
0 |
0 |
0.226 |
20 |
|
[HEM]C:601 |
43 |
1 |
844 |
cf |
C |
x,y,z |
1_555 |
55 |
22 |
22857 |
424.6 |
-12.5 |
0.705 |
3 |
0 |
0 |
0.226 |
21 |
|
[HEM]M:1602 |
43 |
1 |
841 |
cf |
O |
x,y,z |
1_555 |
55 |
22 |
22875 |
423.2 |
-12.2 |
0.734 |
3 |
0 |
0 |
0.226 |
22 |
|
[HEM]J:202 |
43 |
1 |
847 |
cf |
L |
x,y,z |
1_555 |
59 |
23 |
22744 |
423.0 |
-12.1 |
0.746 |
3 |
0 |
0 |
0.226 |
| Average: |
425.5 |
-12.3 |
0.725 |
3 |
0 |
0 |
0.226 |
| 5 |
23 |
|
H |
35 |
14 |
22941 |
◊ |
G |
x,y,z |
1_555 |
35 |
14 |
22912 |
363.4 |
-6.7 |
0.076 |
3 |
0 |
1 |
0.000 |
24 |
|
L |
31 |
14 |
22744 |
◊ |
K |
x,y,z |
1_555 |
33 |
14 |
22986 |
351.0 |
-6.5 |
0.067 |
3 |
0 |
1 |
0.000 |
25 |
|
D |
30 |
13 |
22888 |
◊ |
C |
x,y,z |
1_555 |
33 |
14 |
22857 |
344.1 |
-6.2 |
0.081 |
3 |
0 |
1 |
0.000 |
26 |
|
P |
34 |
14 |
22848 |
◊ |
O |
x,y,z |
1_555 |
32 |
14 |
22875 |
342.5 |
-6.3 |
0.081 |
3 |
0 |
1 |
0.000 |
| Average: |
350.3 |
-6.4 |
0.076 |
3 |
0 |
1 |
0.000 |
| 6 |
27 |
|
C |
34 |
14 |
22857 |
◊ |
P |
x-1,y,z |
1_455 |
38 |
12 |
22848 |
338.3 |
2.8 |
0.859 |
2 |
0 |
0 |
0.000 |
| 7 |
28 |
|
K |
31 |
10 |
22986 |
◊ |
O |
x-1,y,z |
1_455 |
38 |
11 |
22875 |
324.4 |
-1.3 |
0.494 |
3 |
1 |
0 |
0.000 |
29 |
|
G |
38 |
11 |
22912 |
◊ |
C |
x,y,z |
1_555 |
33 |
10 |
22857 |
311.3 |
-2.8 |
0.365 |
2 |
0 |
0 |
0.000 |
30 |
|
G |
31 |
10 |
22912 |
◊ |
C |
x-1,y,z |
1_455 |
33 |
11 |
22857 |
302.6 |
-2.3 |
0.319 |
3 |
0 |
0 |
0.000 |
31 |
|
O |
30 |
10 |
22875 |
◊ |
K |
x,y,z |
1_555 |
39 |
11 |
22986 |
299.7 |
-3.1 |
0.283 |
2 |
1 |
0 |
0.000 |
| Average: |
309.5 |
-2.4 |
0.365 |
3 |
1 |
0 |
0.000 |
| 8 |
32 |
|
K |
32 |
12 |
22986 |
◊ |
M |
x-1,y,z |
1_455 |
23 |
7 |
10840 |
276.6 |
-2.5 |
0.415 |
2 |
0 |
0 |
0.000 |
33 |
|
C |
30 |
11 |
22857 |
◊ |
E |
x,y,z |
1_555 |
23 |
7 |
10809 |
272.6 |
-2.6 |
0.404 |
2 |
0 |
0 |
0.000 |
34 |
|
G |
31 |
11 |
22912 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
7 |
10829 |
271.9 |
-1.0 |
0.528 |
2 |
0 |
0 |
0.000 |
35 |
|
O |
30 |
11 |
22875 |
◊ |
I |
x,y,z |
1_555 |
22 |
7 |
10776 |
259.6 |
-1.6 |
0.411 |
1 |
0 |
0 |
0.000 |
| Average: |
270.2 |
-1.9 |
0.440 |
2 |
0 |
0 |
0.000 |
| 9 |
36 |
|
K |
36 |
13 |
22986 |
◊ |
C |
x,y,z |
1_555 |
28 |
11 |
22857 |
262.9 |
0.3 |
0.676 |
1 |
0 |
0 |
0.000 |
| 10 |
37 |
|
C |
27 |
11 |
22857 |
◊ |
B |
x,y,z |
1_555 |
28 |
9 |
10786 |
249.9 |
-0.9 |
0.533 |
2 |
0 |
0 |
0.000 |
38 |
|
O |
30 |
11 |
22875 |
◊ |
N |
x,y,z |
1_555 |
27 |
9 |
10823 |
247.2 |
-0.5 |
0.559 |
2 |
0 |
0 |
0.000 |
39 |
|
K |
30 |
10 |
22986 |
◊ |
J |
x,y,z |
1_555 |
26 |
9 |
10863 |
246.2 |
-0.6 |
0.577 |
2 |
0 |
0 |
0.000 |
40 |
|
L |
31 |
12 |
22744 |
◊ |
I |
x,y,z |
1_555 |
26 |
9 |
10776 |
243.9 |
-0.5 |
0.609 |
2 |
0 |
0 |
0.000 |
41 |
|
P |
28 |
10 |
22848 |
◊ |
M |
x,y,z |
1_555 |
25 |
9 |
10840 |
243.8 |
-0.5 |
0.562 |
2 |
0 |
0 |
0.000 |
42 |
|
D |
29 |
11 |
22888 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
10829 |
243.0 |
-0.8 |
0.587 |
2 |
0 |
0 |
0.000 |
43 |
|
H |
25 |
10 |
22941 |
◊ |
E |
x,y,z |
1_555 |
24 |
8 |
10809 |
235.6 |
-0.5 |
0.570 |
3 |
0 |
0 |
0.000 |
44 |
|
G |
29 |
11 |
22912 |
◊ |
F |
x,y,z |
1_555 |
27 |
9 |
10788 |
234.7 |
-0.4 |
0.602 |
3 |
0 |
0 |
0.000 |
| Average: |
243.0 |
-0.6 |
0.575 |
2 |
0 |
0 |
0.000 |
| 11 |
45 |
|
[HEM]I:1602 |
32 |
1 |
844 |
c |
I |
x,y,z |
1_555 |
35 |
12 |
10776 |
239.8 |
-6.8 |
0.924 |
2 |
0 |
0 |
0.074 |
46 |
|
[HEM]J:202 |
31 |
1 |
847 |
c |
J |
x,y,z |
1_555 |
35 |
11 |
10863 |
237.0 |
-7.1 |
0.901 |
2 |
0 |
0 |
0.074 |
47 |
|
[HEM]C:601 |
32 |
1 |
844 |
c |
A |
x,y,z |
1_555 |
36 |
12 |
10829 |
236.3 |
-7.0 |
0.911 |
2 |
0 |
0 |
0.074 |
48 |
|
[HEM]F:202 |
32 |
1 |
846 |
c |
F |
x,y,z |
1_555 |
36 |
11 |
10788 |
235.8 |
-7.0 |
0.910 |
2 |
0 |
0 |
0.074 |
49 |
|
[HEM]M:1602 |
31 |
1 |
841 |
c |
M |
x,y,z |
1_555 |
33 |
11 |
10840 |
234.3 |
-7.0 |
0.900 |
2 |
0 |
0 |
0.074 |
50 |
|
[HEM]E:1602 |
31 |
1 |
840 |
c |
E |
x,y,z |
1_555 |
34 |
11 |
10809 |
233.7 |
-6.7 |
0.915 |
2 |
0 |
0 |
0.074 |
51 |
|
[HEM]B:202 |
31 |
1 |
843 |
c |
B |
x,y,z |
1_555 |
36 |
12 |
10786 |
233.3 |
-6.9 |
0.909 |
2 |
0 |
0 |
0.074 |
52 |
|
[HEM]N:202 |
30 |
1 |
843 |
c |
N |
x,y,z |
1_555 |
36 |
12 |
10823 |
233.0 |
-6.9 |
0.905 |
2 |
0 |
0 |
0.074 |
| Average: |
235.4 |
-6.9 |
0.909 |
2 |
0 |
0 |
0.074 |
| 12 |
53 |
|
P |
34 |
14 |
22848 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
26 |
10 |
22941 |
233.5 |
1.8 |
0.733 |
2 |
0 |
0 |
0.000 |
54 |
|
D |
27 |
13 |
22888 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
25 |
9 |
22744 |
199.7 |
-0.9 |
0.421 |
0 |
0 |
0 |
0.000 |
55 |
|
D |
18 |
10 |
22888 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
25 |
12 |
22941 |
136.9 |
-0.2 |
0.588 |
0 |
0 |
0 |
0.000 |
| Average: |
190.1 |
0.3 |
0.581 |
1 |
0 |
0 |
0.000 |
| 13 |
56 |
|
I |
22 |
6 |
10776 |
◊ |
P |
x-1,y,z |
1_455 |
28 |
7 |
22848 |
225.7 |
2.3 |
0.889 |
4 |
2 |
0 |
0.000 |
57 |
|
H |
27 |
5 |
22941 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
10829 |
176.9 |
0.5 |
0.717 |
2 |
1 |
0 |
0.000 |
58 |
|
E |
16 |
3 |
10809 |
◊ |
D |
x-1,y,z |
1_455 |
22 |
5 |
22888 |
176.3 |
2.1 |
0.881 |
3 |
0 |
0 |
0.000 |
59 |
|
L |
19 |
5 |
22744 |
◊ |
M |
x,y,z |
1_555 |
12 |
3 |
10840 |
145.9 |
1.6 |
0.849 |
2 |
1 |
0 |
0.000 |
| Average: |
181.2 |
1.6 |
0.834 |
3 |
1 |
0 |
0.000 |
| 14 |
60 |
|
O |
22 |
7 |
22875 |
◊ |
G |
x,y,z-1 |
1_554 |
31 |
11 |
22912 |
222.0 |
3.3 |
0.901 |
0 |
1 |
0 |
0.000 |
61 |
|
G |
18 |
6 |
22912 |
◊ |
O |
x-1,y,z+1 |
1_456 |
24 |
9 |
22875 |
196.1 |
3.4 |
0.913 |
3 |
1 |
0 |
0.000 |
| Average: |
209.1 |
3.3 |
0.907 |
2 |
1 |
0 |
0.000 |
| 15 |
62 |
|
G |
26 |
11 |
22912 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
3 |
10786 |
210.9 |
2.6 |
0.820 |
4 |
2 |
0 |
0.000 |
63 |
|
K |
27 |
11 |
22986 |
◊ |
N |
x-1,y,z |
1_455 |
14 |
3 |
10823 |
209.3 |
2.7 |
0.794 |
5 |
2 |
0 |
0.000 |
64 |
|
C |
26 |
11 |
22857 |
◊ |
F |
x,y,z |
1_555 |
15 |
4 |
10788 |
206.4 |
2.5 |
0.808 |
4 |
2 |
0 |
0.000 |
65 |
|
O |
28 |
11 |
22875 |
◊ |
J |
x,y,z |
1_555 |
13 |
3 |
10863 |
194.0 |
2.0 |
0.771 |
4 |
1 |
0 |
0.000 |
| Average: |
205.1 |
2.4 |
0.798 |
4 |
2 |
0 |
0.000 |
| 16 |
66 |
|
[0KY]O:610 |
13 |
1 |
415 |
f |
O |
x,y,z |
1_555 |
27 |
13 |
22875 |
210.1 |
1.8 |
0.162 |
0 |
0 |
0 |
0.000 |
| 17 |
67 |
|
[0KY]G:610 |
13 |
1 |
421 |
f |
G |
x,y,z |
1_555 |
32 |
13 |
22912 |
198.5 |
1.3 |
0.229 |
0 |
0 |
0 |
0.000 |
| 18 |
68 |
|
D |
23 |
8 |
22888 |
◊ |
L |
-x+1,y-1/2,-z |
2_645 |
19 |
6 |
22744 |
197.5 |
-0.1 |
0.574 |
2 |
0 |
0 |
0.000 |
69 |
|
P |
23 |
7 |
22848 |
◊ |
L |
-x+1,y-1/2,-z |
2_645 |
26 |
10 |
22744 |
196.6 |
-0.6 |
0.549 |
2 |
0 |
0 |
0.000 |
70 |
|
D |
24 |
8 |
22888 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
9 |
22941 |
195.2 |
-1.4 |
0.430 |
2 |
0 |
0 |
0.000 |
| Average: |
196.5 |
-0.7 |
0.518 |
2 |
0 |
0 |
0.000 |
| 19 |
71 |
|
[0KY]P:614 |
13 |
1 |
423 |
f |
P |
x,y,z |
1_555 |
28 |
12 |
22848 |
197.0 |
0.8 |
0.181 |
0 |
0 |
0 |
0.003 |
72 |
|
[0KY]H:610 |
14 |
1 |
412 |
f |
H |
x,y,z |
1_555 |
26 |
13 |
22941 |
173.3 |
-0.2 |
0.157 |
0 |
0 |
0 |
0.003 |
| Average: |
185.1 |
0.3 |
0.169 |
0 |
0 |
0 |
0.003 |
| 20 |
73 |
|
[0KY]I:1603 |
13 |
1 |
428 |
f |
K |
x,y,z |
1_555 |
31 |
13 |
22986 |
196.6 |
0.9 |
0.212 |
0 |
0 |
0 |
0.000 |
74 |
|
[0KY]A:1602 |
13 |
1 |
424 |
f |
C |
x,y,z |
1_555 |
30 |
12 |
22857 |
190.3 |
0.1 |
0.177 |
0 |
0 |
0 |
0.000 |
75 |
|
[0KY]B:203 |
13 |
1 |
426 |
f |
D |
x,y,z |
1_555 |
32 |
13 |
22888 |
188.6 |
0.2 |
0.185 |
0 |
0 |
0 |
0.000 |
76 |
|
[0KY]J:203 |
13 |
1 |
429 |
f |
L |
x,y,z |
1_555 |
29 |
13 |
22744 |
188.2 |
0.5 |
0.189 |
0 |
0 |
0 |
0.000 |
| Average: |
190.9 |
0.4 |
0.191 |
0 |
0 |
0 |
0.000 |
| 21 |
77 |
|
C |
22 |
9 |
22857 |
◊ |
I |
x,y,z |
1_555 |
17 |
5 |
10776 |
193.6 |
0.2 |
0.731 |
2 |
0 |
0 |
0.000 |
| 22 |
78 |
|
[NAG]P:609 |
13 |
1 |
361 |
cf |
P |
x,y,z |
1_555 |
20 |
9 |
22848 |
177.6 |
4.3 |
0.431 |
2 |
0 |
0 |
0.000 |
79 |
|
[NAG]G:607 |
13 |
1 |
362 |
cf |
G |
x,y,z |
1_555 |
19 |
9 |
22912 |
177.0 |
4.2 |
0.419 |
1 |
0 |
0 |
0.000 |
80 |
|
[NAG]C:608 |
13 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
20 |
9 |
22857 |
175.6 |
4.0 |
0.409 |
2 |
0 |
0 |
0.000 |
81 |
|
[NAG]H:607 |
13 |
1 |
361 |
cf |
H |
x,y,z |
1_555 |
20 |
10 |
22941 |
175.0 |
4.1 |
0.382 |
1 |
0 |
0 |
0.000 |
82 |
|
[NAG]L:607 |
13 |
1 |
361 |
cf |
L |
x,y,z |
1_555 |
19 |
9 |
22744 |
173.7 |
4.2 |
0.404 |
2 |
0 |
0 |
0.000 |
83 |
|
[NAG]D:607 |
13 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
19 |
8 |
22888 |
173.7 |
4.1 |
0.392 |
3 |
0 |
0 |
0.000 |
84 |
|
[NAG]O:607 |
13 |
1 |
359 |
cf |
O |
x,y,z |
1_555 |
18 |
9 |
22875 |
172.3 |
4.0 |
0.408 |
3 |
0 |
0 |
0.000 |
| Average: |
175.0 |
4.1 |
0.406 |
2 |
0 |
0 |
0.000 |
| 23 |
85 |
|
[NAG]K:607 |
13 |
1 |
364 |
cf |
K |
x,y,z |
1_555 |
18 |
8 |
22986 |
172.4 |
4.1 |
0.412 |
2 |
0 |
0 |
0.000 |
| 24 |
86 |
|
N |
16 |
9 |
10823 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
24 |
10 |
22941 |
165.7 |
-0.6 |
0.607 |
0 |
0 |
0 |
0.000 |
| 25 |
87 |
|
P |
16 |
5 |
22848 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
17 |
5 |
22941 |
160.3 |
0.6 |
0.719 |
1 |
0 |
0 |
0.000 |
| 26 |
88 |
|
[NAG]K:608 |
12 |
1 |
363 |
cf |
K |
x,y,z |
1_555 |
21 |
9 |
22986 |
132.5 |
2.7 |
0.315 |
0 |
0 |
0 |
0.000 |
| 27 |
89 |
|
[NAG]H:608 |
12 |
1 |
357 |
cf |
H |
x,y,z |
1_555 |
20 |
9 |
22941 |
129.1 |
2.9 |
0.292 |
1 |
0 |
0 |
0.000 |
| 28 |
90 |
|
[NAG]L:608 |
13 |
1 |
363 |
cf |
L |
x,y,z |
1_555 |
20 |
8 |
22744 |
128.0 |
2.3 |
0.257 |
1 |
0 |
0 |
0.000 |
| 29 |
91 |
|
[NAG]D:608 |
13 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
19 |
7 |
22888 |
125.1 |
2.4 |
0.261 |
1 |
0 |
0 |
0.000 |
| 30 |
92 |
|
[NAG]C:609 |
12 |
1 |
365 |
cf |
C |
x,y,z |
1_555 |
17 |
8 |
22857 |
125.0 |
2.7 |
0.288 |
0 |
0 |
0 |
0.000 |
| 31 |
93 |
|
[NAG]G:608 |
12 |
1 |
352 |
cf |
G |
x,y,z |
1_555 |
17 |
7 |
22912 |
125.0 |
2.5 |
0.243 |
1 |
0 |
0 |
0.000 |
| 32 |
94 |
|
[NAG]P:608 |
12 |
1 |
362 |
cf |
P |
x,y,z |
1_555 |
22 |
9 |
22848 |
123.5 |
2.5 |
0.321 |
0 |
0 |
0 |
0.000 |
| 33 |
95 |
|
[NAG]O:608 |
12 |
1 |
360 |
cf |
O |
x,y,z |
1_555 |
19 |
7 |
22875 |
120.8 |
2.3 |
0.277 |
0 |
0 |
0 |
0.000 |
| 34 |
96 |
|
D |
21 |
5 |
22888 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
10 |
5 |
10788 |
109.6 |
-0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
97 |
|
B |
10 |
5 |
10786 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
17 |
5 |
22744 |
77.1 |
0.0 |
0.691 |
0 |
0 |
0 |
0.000 |
| Average: |
93.3 |
-0.0 |
0.682 |
0 |
0 |
0 |
0.000 |
| 35 |
98 |
|
[BMA]P:604 |
9 |
1 |
291 |
◊ |
O |
x,y,z |
1_555 |
19 |
8 |
22875 |
108.1 |
1.3 |
0.301 |
0 |
0 |
0 |
0.000 |
99 |
|
[BMA]K:603 |
9 |
1 |
291 |
◊ |
L |
x,y,z |
1_555 |
17 |
8 |
22744 |
107.7 |
1.3 |
0.298 |
0 |
0 |
0 |
0.000 |
100 |
|
[BMA]D:603 |
9 |
1 |
291 |
◊ |
C |
x,y,z |
1_555 |
18 |
8 |
22857 |
107.6 |
1.4 |
0.304 |
0 |
0 |
0 |
0.000 |
101 |
|
[BMA]C:604 |
9 |
1 |
291 |
◊ |
D |
x,y,z |
1_555 |
18 |
8 |
22888 |
107.5 |
1.5 |
0.321 |
0 |
0 |
0 |
0.000 |
102 |
|
[BMA]G:603 |
9 |
1 |
291 |
◊ |
H |
x,y,z |
1_555 |
17 |
8 |
22941 |
106.9 |
1.3 |
0.310 |
0 |
0 |
0 |
0.000 |
103 |
|
[BMA]O:603 |
9 |
1 |
291 |
◊ |
P |
x,y,z |
1_555 |
18 |
8 |
22848 |
106.4 |
1.3 |
0.303 |
0 |
0 |
0 |
0.000 |
104 |
|
[BMA]L:603 |
9 |
1 |
288 |
◊ |
K |
x,y,z |
1_555 |
16 |
8 |
22986 |
104.4 |
1.2 |
0.300 |
0 |
0 |
0 |
0.000 |
105 |
|
[BMA]H:603 |
9 |
1 |
289 |
◊ |
G |
x,y,z |
1_555 |
19 |
8 |
22912 |
102.9 |
1.6 |
0.324 |
0 |
0 |
0 |
0.000 |
| Average: |
106.4 |
1.4 |
0.307 |
0 |
0 |
0 |
0.000 |
| 36 |
106 |
|
H |
13 |
5 |
22941 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
22857 |
107.3 |
0.6 |
0.694 |
0 |
0 |
0 |
0.000 |
107 |
|
K |
13 |
4 |
22986 |
◊ |
P |
x-1,y,z |
1_455 |
14 |
5 |
22848 |
106.0 |
1.0 |
0.759 |
0 |
0 |
0 |
0.000 |
108 |
|
G |
12 |
4 |
22912 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
4 |
22888 |
94.0 |
0.4 |
0.661 |
0 |
0 |
0 |
0.000 |
109 |
|
O |
8 |
2 |
22875 |
◊ |
L |
x,y,z |
1_555 |
9 |
3 |
22744 |
74.4 |
0.6 |
0.636 |
0 |
0 |
0 |
0.000 |
| Average: |
95.4 |
0.6 |
0.688 |
0 |
0 |
0 |
0.000 |
| 37 |
110 |
|
O |
11 |
3 |
22875 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
15 |
6 |
22941 |
106.1 |
1.2 |
0.774 |
2 |
0 |
0 |
0.000 |
111 |
|
D |
4 |
2 |
22888 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
22912 |
34.8 |
0.8 |
0.712 |
0 |
0 |
0 |
0.000 |
| Average: |
70.4 |
1.0 |
0.743 |
1 |
0 |
0 |
0.000 |
| 38 |
112 |
|
[0KY]A:1602 |
12 |
1 |
424 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
10829 |
104.1 |
3.1 |
0.482 |
0 |
0 |
0 |
0.000 |
113 |
|
[0KY]I:1603 |
12 |
1 |
428 |
◊ |
I |
x,y,z |
1_555 |
12 |
5 |
10776 |
100.3 |
3.0 |
0.471 |
0 |
0 |
0 |
0.000 |
114 |
|
[0KY]B:203 |
9 |
1 |
426 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
10786 |
98.5 |
2.8 |
0.530 |
0 |
0 |
0 |
0.000 |
115 |
|
[0KY]J:203 |
10 |
1 |
429 |
◊ |
J |
x,y,z |
1_555 |
11 |
5 |
10863 |
94.8 |
2.7 |
0.473 |
0 |
0 |
0 |
0.000 |
| Average: |
99.4 |
2.9 |
0.489 |
0 |
0 |
0 |
0.000 |
| 39 |
116 |
|
[NAG]D:601 |
11 |
1 |
363 |
cf |
D |
x,y,z |
1_555 |
11 |
4 |
22888 |
100.7 |
3.0 |
0.332 |
1 |
0 |
0 |
0.000 |
117 |
|
[NAG]P:602 |
10 |
1 |
361 |
cf |
P |
x,y,z |
1_555 |
9 |
4 |
22848 |
97.6 |
3.0 |
0.360 |
0 |
0 |
0 |
0.000 |
118 |
|
[NAG]H:601 |
10 |
1 |
359 |
cf |
H |
x,y,z |
1_555 |
10 |
4 |
22941 |
88.0 |
2.3 |
0.352 |
0 |
0 |
0 |
0.000 |
119 |
|
[NAG]L:601 |
11 |
1 |
358 |
cf |
L |
x,y,z |
1_555 |
11 |
4 |
22744 |
86.8 |
2.2 |
0.285 |
0 |
0 |
0 |
0.000 |
120 |
|
[NAG]K:601 |
11 |
1 |
356 |
cf |
K |
x,y,z |
1_555 |
10 |
3 |
22986 |
82.6 |
2.1 |
0.273 |
0 |
0 |
0 |
0.000 |
121 |
|
[NAG]O:601 |
11 |
1 |
360 |
cf |
O |
x,y,z |
1_555 |
9 |
3 |
22875 |
82.3 |
2.3 |
0.302 |
0 |
0 |
0 |
0.000 |
122 |
|
[NAG]G:601 |
12 |
1 |
362 |
cf |
G |
x,y,z |
1_555 |
9 |
3 |
22912 |
82.0 |
2.1 |
0.250 |
0 |
0 |
0 |
0.000 |
123 |
|
[NAG]C:602 |
11 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
9 |
3 |
22857 |
81.9 |
2.0 |
0.274 |
1 |
0 |
0 |
0.000 |
| Average: |
87.7 |
2.4 |
0.303 |
0 |
0 |
0 |
0.000 |
| 40 |
124 |
|
[FUC]H:606 |
8 |
1 |
278 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
22941 |
99.8 |
2.6 |
0.446 |
0 |
0 |
0 |
0.000 |
125 |
|
[FUC]K:606 |
8 |
1 |
277 |
f |
K |
x,y,z |
1_555 |
15 |
5 |
22986 |
99.3 |
2.3 |
0.410 |
0 |
0 |
0 |
0.000 |
126 |
|
[FUC]D:606 |
7 |
1 |
276 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
22888 |
99.0 |
2.7 |
0.470 |
0 |
0 |
0 |
0.000 |
127 |
|
[FUC]L:606 |
8 |
1 |
278 |
f |
L |
x,y,z |
1_555 |
17 |
6 |
22744 |
98.4 |
2.6 |
0.454 |
0 |
0 |
0 |
0.000 |
128 |
|
[FUC]G:606 |
8 |
1 |
278 |
f |
G |
x,y,z |
1_555 |
16 |
5 |
22912 |
97.4 |
1.9 |
0.378 |
0 |
0 |
0 |
0.000 |
| Average: |
98.8 |
2.4 |
0.432 |
0 |
0 |
0 |
0.000 |
| 41 |
129 |
|
[FUC]O:606 |
8 |
1 |
276 |
f |
O |
x,y,z |
1_555 |
17 |
6 |
22875 |
99.0 |
2.6 |
0.426 |
1 |
0 |
0 |
0.000 |
130 |
|
[FUC]P:607 |
8 |
1 |
277 |
f |
P |
x,y,z |
1_555 |
17 |
6 |
22848 |
96.8 |
2.7 |
0.448 |
0 |
0 |
0 |
0.000 |
131 |
|
[FUC]C:607 |
8 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
22857 |
95.0 |
2.3 |
0.389 |
0 |
0 |
0 |
0.000 |
| Average: |
96.9 |
2.5 |
0.421 |
0 |
0 |
0 |
0.000 |
| 42 |
132 |
|
[NAG]P:603 |
10 |
1 |
364 |
◊ |
O |
x,y,z |
1_555 |
14 |
5 |
22875 |
98.2 |
1.1 |
0.205 |
0 |
0 |
0 |
0.000 |
133 |
|
[NAG]D:602 |
11 |
1 |
360 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
22857 |
97.8 |
1.1 |
0.158 |
0 |
0 |
0 |
0.000 |
134 |
|
[NAG]O:602 |
12 |
1 |
363 |
◊ |
P |
x,y,z |
1_555 |
13 |
5 |
22848 |
97.7 |
1.3 |
0.158 |
0 |
0 |
0 |
0.000 |
135 |
|
[NAG]G:602 |
11 |
1 |
359 |
◊ |
H |
x,y,z |
1_555 |
14 |
5 |
22941 |
97.4 |
1.1 |
0.182 |
0 |
0 |
0 |
0.000 |
136 |
|
[NAG]K:602 |
11 |
1 |
360 |
◊ |
L |
x,y,z |
1_555 |
12 |
5 |
22744 |
97.3 |
1.1 |
0.161 |
0 |
0 |
0 |
0.000 |
137 |
|
[NAG]H:602 |
12 |
1 |
360 |
◊ |
G |
x,y,z |
1_555 |
15 |
5 |
22912 |
96.6 |
1.2 |
0.167 |
0 |
0 |
0 |
0.000 |
138 |
|
[NAG]C:603 |
10 |
1 |
358 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
22888 |
96.6 |
1.2 |
0.194 |
0 |
0 |
0 |
0.000 |
139 |
|
[NAG]L:602 |
11 |
1 |
360 |
◊ |
K |
x,y,z |
1_555 |
13 |
5 |
22986 |
95.6 |
1.1 |
0.165 |
0 |
0 |
0 |
0.000 |
| Average: |
97.1 |
1.1 |
0.174 |
0 |
0 |
0 |
0.000 |
| 43 |
140 |
|
M |
9 |
2 |
10840 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
14 |
8 |
22941 |
92.7 |
1.6 |
0.856 |
1 |
0 |
0 |
0.000 |
141 |
|
D |
6 |
3 |
22888 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
10809 |
48.9 |
0.8 |
0.828 |
0 |
0 |
0 |
0.000 |
| Average: |
70.8 |
1.2 |
0.842 |
1 |
0 |
0 |
0.000 |
| 44 |
142 |
|
[MAN]L:605 |
8 |
1 |
291 |
◊ |
K |
x,y,z |
1_555 |
7 |
3 |
22986 |
90.1 |
0.6 |
0.189 |
0 |
0 |
0 |
0.000 |
143 |
|
[MAN]H:605 |
8 |
1 |
289 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
22912 |
89.9 |
1.1 |
0.259 |
0 |
0 |
0 |
0.000 |
144 |
|
[MAN]O:605 |
7 |
1 |
288 |
◊ |
P |
x,y,z |
1_555 |
9 |
3 |
22848 |
89.5 |
1.0 |
0.264 |
0 |
0 |
0 |
0.000 |
145 |
|
[MAN]G:605 |
7 |
1 |
290 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
22941 |
88.9 |
0.9 |
0.244 |
0 |
0 |
0 |
0.000 |
146 |
|
[MAN]K:605 |
8 |
1 |
289 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
22744 |
87.7 |
1.0 |
0.244 |
0 |
0 |
0 |
0.000 |
147 |
|
[MAN]P:606 |
7 |
1 |
290 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
22875 |
87.6 |
0.9 |
0.225 |
0 |
0 |
0 |
0.000 |
148 |
|
[MAN]D:605 |
7 |
1 |
290 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
22857 |
87.2 |
1.1 |
0.294 |
0 |
0 |
0 |
0.000 |
149 |
|
[MAN]C:606 |
7 |
1 |
290 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
22888 |
87.0 |
1.0 |
0.252 |
1 |
0 |
0 |
0.000 |
| Average: |
88.5 |
0.9 |
0.246 |
0 |
0 |
0 |
0.000 |
| 45 |
150 |
|
[0KY]G:610 |
10 |
1 |
421 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
10809 |
89.6 |
2.5 |
0.449 |
0 |
0 |
0 |
0.000 |
| 46 |
151 |
|
[MAN]P:612 |
5 |
1 |
293 |
f |
P |
x,y,z |
1_555 |
18 |
6 |
22848 |
84.1 |
1.1 |
0.394 |
0 |
0 |
0 |
0.000 |
| 47 |
152 |
|
[MAN]H:604 |
6 |
1 |
290 |
◊ |
G |
x,y,z |
1_555 |
10 |
4 |
22912 |
81.9 |
2.2 |
0.387 |
3 |
0 |
0 |
0.000 |
| 48 |
153 |
|
[MAN]D:604 |
8 |
1 |
287 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
22857 |
81.4 |
1.7 |
0.282 |
1 |
0 |
0 |
0.000 |
154 |
|
[MAN]L:604 |
7 |
1 |
286 |
f |
K |
x,y,z |
1_555 |
9 |
4 |
22986 |
76.2 |
1.1 |
0.278 |
1 |
0 |
0 |
0.000 |
| Average: |
78.8 |
1.4 |
0.280 |
1 |
0 |
0 |
0.000 |
| 49 |
155 |
|
O |
9 |
4 |
22875 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
9 |
3 |
10788 |
80.2 |
1.3 |
0.851 |
1 |
1 |
0 |
0.000 |
156 |
|
B |
8 |
3 |
10786 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
22912 |
50.2 |
1.0 |
0.862 |
0 |
0 |
0 |
0.000 |
| Average: |
65.2 |
1.1 |
0.857 |
1 |
1 |
0 |
0.000 |
| 50 |
157 |
|
G |
6 |
3 |
22912 |
◊ |
M |
x-1,y,z+1 |
1_456 |
10 |
3 |
10840 |
78.2 |
-1.6 |
0.190 |
0 |
0 |
0 |
0.000 |
158 |
|
O |
7 |
4 |
22875 |
◊ |
E |
x,y,z-1 |
1_554 |
8 |
2 |
10809 |
77.0 |
-0.8 |
0.277 |
0 |
0 |
0 |
0.000 |
| Average: |
77.6 |
-1.2 |
0.234 |
0 |
0 |
0 |
0.000 |
| 51 |
159 |
|
C |
9 |
5 |
22857 |
◊ |
[BMA]P:611 |
x-1,y,z |
1_455 |
8 |
1 |
293 |
77.3 |
0.9 |
0.229 |
0 |
0 |
0 |
0.000 |
| 52 |
160 |
|
P |
6 |
3 |
22848 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
10 |
5 |
22744 |
76.5 |
0.8 |
0.686 |
1 |
0 |
0 |
0.000 |
| 53 |
161 |
|
[HEM]N:202 |
12 |
1 |
843 |
cf |
[0KY]P:614 |
x,y,z |
1_555 |
6 |
1 |
423 |
75.3 |
-2.7 |
0.257 |
0 |
0 |
0 |
0.046 |
162 |
|
[HEM]F:202 |
11 |
1 |
846 |
cf |
[0KY]H:610 |
x,y,z |
1_555 |
5 |
1 |
412 |
67.2 |
-2.7 |
0.252 |
0 |
0 |
0 |
0.046 |
| Average: |
71.3 |
-2.7 |
0.254 |
0 |
0 |
0 |
0.046 |
| 54 |
163 |
|
[NAG]P:610 |
10 |
1 |
360 |
cf |
[NAG]P:609 |
x,y,z |
1_555 |
6 |
1 |
361 |
74.7 |
1.8 |
0.094 |
0 |
0 |
0 |
0.000 |
| 55 |
164 |
|
N |
8 |
3 |
10823 |
◊ |
[NAG]H:608 |
-x,y-1/2,-z |
2_545 |
8 |
1 |
357 |
73.7 |
0.8 |
0.275 |
0 |
0 |
0 |
0.000 |
| 56 |
165 |
|
C |
8 |
5 |
22857 |
◊ |
[NAG]P:610 |
x-1,y,z |
1_455 |
8 |
1 |
360 |
72.0 |
0.3 |
0.137 |
0 |
0 |
0 |
0.000 |
| 57 |
166 |
|
[MAN]G:604 |
8 |
1 |
288 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
22941 |
71.9 |
1.6 |
0.264 |
2 |
0 |
0 |
0.000 |
| 58 |
167 |
|
[HEM]B:202 |
11 |
1 |
843 |
cf |
[0KY]B:203 |
x,y,z |
1_555 |
7 |
1 |
426 |
71.0 |
-2.6 |
0.260 |
0 |
0 |
0 |
0.041 |
168 |
|
[HEM]C:601 |
9 |
1 |
844 |
cf |
[0KY]A:1602 |
x,y,z |
1_555 |
7 |
1 |
424 |
69.9 |
-2.7 |
0.261 |
0 |
0 |
0 |
0.041 |
169 |
|
[HEM]E:1602 |
9 |
1 |
840 |
cf |
[0KY]G:610 |
x,y,z |
1_555 |
8 |
1 |
421 |
68.4 |
-2.5 |
0.215 |
0 |
0 |
0 |
0.041 |
170 |
|
[HEM]J:202 |
10 |
1 |
847 |
cf |
[0KY]J:203 |
x,y,z |
1_555 |
7 |
1 |
429 |
68.4 |
-2.7 |
0.235 |
0 |
0 |
0 |
0.041 |
171 |
|
[HEM]I:1602 |
9 |
1 |
844 |
cf |
[0KY]I:1603 |
x,y,z |
1_555 |
5 |
1 |
428 |
65.2 |
-2.7 |
0.279 |
0 |
0 |
0 |
0.041 |
| Average: |
68.6 |
-2.6 |
0.250 |
0 |
0 |
0 |
0.041 |
| 59 |
172 |
|
[NAG]H:602 |
9 |
1 |
360 |
cf |
[NAG]H:601 |
x,y,z |
1_555 |
6 |
1 |
359 |
70.6 |
1.7 |
0.095 |
0 |
0 |
0 |
0.000 |
173 |
|
[NAG]G:602 |
10 |
1 |
359 |
cf |
[NAG]G:601 |
x,y,z |
1_555 |
6 |
1 |
362 |
70.3 |
1.6 |
0.089 |
0 |
0 |
0 |
0.000 |
174 |
|
[NAG]K:602 |
8 |
1 |
360 |
cf |
[NAG]K:601 |
x,y,z |
1_555 |
7 |
1 |
356 |
69.9 |
1.5 |
0.090 |
0 |
0 |
0 |
0.000 |
175 |
|
[NAG]D:602 |
8 |
1 |
360 |
cf |
[NAG]D:601 |
x,y,z |
1_555 |
6 |
1 |
363 |
69.9 |
1.6 |
0.102 |
0 |
0 |
0 |
0.000 |
176 |
|
[NAG]L:602 |
10 |
1 |
360 |
cf |
[NAG]L:601 |
x,y,z |
1_555 |
6 |
1 |
358 |
69.7 |
1.7 |
0.089 |
0 |
0 |
0 |
0.000 |
177 |
|
[NAG]O:602 |
10 |
1 |
363 |
cf |
[NAG]O:601 |
x,y,z |
1_555 |
6 |
1 |
360 |
69.0 |
1.5 |
0.079 |
0 |
0 |
0 |
0.000 |
178 |
|
[NAG]P:603 |
9 |
1 |
364 |
cf |
[NAG]P:602 |
x,y,z |
1_555 |
6 |
1 |
361 |
68.9 |
1.6 |
0.095 |
0 |
0 |
0 |
0.000 |
179 |
|
[NAG]C:603 |
9 |
1 |
358 |
cf |
[NAG]C:602 |
x,y,z |
1_555 |
6 |
1 |
359 |
68.8 |
1.6 |
0.095 |
0 |
0 |
0 |
0.000 |
| Average: |
69.6 |
1.6 |
0.092 |
0 |
0 |
0 |
0.000 |
| 60 |
180 |
|
[HEM]M:1602 |
13 |
1 |
841 |
cf |
[0KY]O:610 |
x,y,z |
1_555 |
6 |
1 |
415 |
70.3 |
-2.8 |
0.194 |
0 |
0 |
0 |
0.034 |
| 61 |
181 |
|
[MAN]O:604 |
7 |
1 |
287 |
◊ |
P |
x,y,z |
1_555 |
10 |
4 |
22848 |
69.7 |
1.1 |
0.287 |
1 |
0 |
0 |
0.000 |
182 |
|
[MAN]C:605 |
6 |
1 |
288 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
22888 |
63.0 |
1.6 |
0.348 |
2 |
0 |
0 |
0.000 |
| Average: |
66.3 |
1.4 |
0.317 |
2 |
0 |
0 |
0.000 |
| 62 |
183 |
|
[MAN]P:605 |
6 |
1 |
287 |
f |
O |
x,y,z |
1_555 |
8 |
3 |
22875 |
67.8 |
1.4 |
0.341 |
1 |
0 |
0 |
0.000 |
| 63 |
184 |
|
[MAN]K:604 |
7 |
1 |
288 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
22744 |
67.5 |
1.7 |
0.358 |
2 |
0 |
0 |
0.000 |
| 64 |
185 |
|
[NAG]P:610 |
6 |
1 |
360 |
f |
P |
x,y,z |
1_555 |
11 |
5 |
22848 |
66.8 |
1.5 |
0.412 |
0 |
0 |
0 |
0.000 |
| 65 |
186 |
|
K |
5 |
1 |
22986 |
x |
K |
x-1,y,z |
1_455 |
11 |
4 |
22986 |
65.6 |
0.9 |
0.679 |
0 |
0 |
0 |
0.000 |
187 |
|
G |
5 |
1 |
22912 |
x |
G |
x-1,y,z |
1_455 |
11 |
4 |
22912 |
64.4 |
0.9 |
0.697 |
0 |
0 |
0 |
0.000 |
188 |
|
O |
5 |
1 |
22875 |
x |
O |
x-1,y,z |
1_455 |
10 |
4 |
22875 |
61.8 |
1.1 |
0.710 |
0 |
0 |
0 |
0.000 |
189 |
|
C |
5 |
1 |
22857 |
x |
C |
x-1,y,z |
1_455 |
6 |
1 |
22857 |
43.9 |
0.3 |
0.678 |
0 |
0 |
0 |
0.000 |
| Average: |
58.9 |
0.8 |
0.691 |
0 |
0 |
0 |
0.000 |
| 66 |
190 |
|
[MAN]H:605 |
6 |
1 |
289 |
cf |
[BMA]H:603 |
x,y,z |
1_555 |
6 |
1 |
289 |
60.0 |
2.5 |
0.224 |
0 |
0 |
0 |
0.000 |
191 |
|
[MAN]C:606 |
6 |
1 |
290 |
cf |
[BMA]C:604 |
x,y,z |
1_555 |
6 |
1 |
291 |
59.9 |
2.5 |
0.213 |
0 |
0 |
0 |
0.000 |
192 |
|
[MAN]L:605 |
6 |
1 |
291 |
cf |
[BMA]L:603 |
x,y,z |
1_555 |
6 |
1 |
288 |
59.7 |
2.4 |
0.225 |
0 |
0 |
0 |
0.000 |
193 |
|
[MAN]K:605 |
6 |
1 |
289 |
cf |
[BMA]K:603 |
x,y,z |
1_555 |
6 |
1 |
291 |
58.8 |
2.4 |
0.213 |
0 |
0 |
0 |
0.000 |
194 |
|
[MAN]D:605 |
6 |
1 |
290 |
cf |
[BMA]D:603 |
x,y,z |
1_555 |
6 |
1 |
291 |
58.3 |
2.4 |
0.213 |
0 |
0 |
0 |
0.000 |
195 |
|
[MAN]G:605 |
6 |
1 |
290 |
cf |
[BMA]G:603 |
x,y,z |
1_555 |
6 |
1 |
291 |
57.7 |
2.4 |
0.228 |
0 |
0 |
0 |
0.000 |
196 |
|
[MAN]P:606 |
6 |
1 |
290 |
cf |
[BMA]P:604 |
x,y,z |
1_555 |
6 |
1 |
291 |
57.7 |
2.4 |
0.203 |
0 |
0 |
0 |
0.000 |
197 |
|
[MAN]O:605 |
6 |
1 |
288 |
cf |
[BMA]O:603 |
x,y,z |
1_555 |
6 |
1 |
291 |
57.7 |
2.4 |
0.213 |
0 |
0 |
0 |
0.000 |
| Average: |
58.7 |
2.4 |
0.216 |
0 |
0 |
0 |
0.000 |
| 67 |
198 |
|
[BMA]P:611 |
6 |
1 |
293 |
cf |
[NAG]P:610 |
x,y,z |
1_555 |
5 |
1 |
360 |
59.4 |
1.1 |
0.107 |
0 |
0 |
0 |
0.000 |
| 68 |
199 |
|
[MAN]P:612 |
6 |
1 |
293 |
cf |
[BMA]P:611 |
x,y,z |
1_555 |
6 |
1 |
293 |
58.9 |
2.5 |
0.218 |
0 |
0 |
0 |
0.000 |
| 69 |
200 |
|
[BMA]O:603 |
6 |
1 |
291 |
cf |
[NAG]O:602 |
x,y,z |
1_555 |
5 |
1 |
363 |
57.7 |
1.2 |
0.142 |
0 |
0 |
0 |
0.000 |
201 |
|
[BMA]G:603 |
6 |
1 |
291 |
cf |
[NAG]G:602 |
x,y,z |
1_555 |
6 |
1 |
359 |
57.3 |
1.1 |
0.098 |
0 |
0 |
0 |
0.000 |
202 |
|
[BMA]K:603 |
6 |
1 |
291 |
cf |
[NAG]K:602 |
x,y,z |
1_555 |
5 |
1 |
360 |
57.2 |
1.2 |
0.139 |
0 |
0 |
0 |
0.000 |
203 |
|
[BMA]H:603 |
6 |
1 |
289 |
cf |
[NAG]H:602 |
x,y,z |
1_555 |
6 |
1 |
360 |
57.1 |
1.3 |
0.125 |
0 |
0 |
0 |
0.000 |
204 |
|
[BMA]C:604 |
6 |
1 |
291 |
cf |
[NAG]C:603 |
x,y,z |
1_555 |
6 |
1 |
358 |
57.0 |
1.2 |
0.116 |
0 |
0 |
0 |
0.000 |
205 |
|
[BMA]D:603 |
6 |
1 |
291 |
cf |
[NAG]D:602 |
x,y,z |
1_555 |
5 |
1 |
360 |
57.0 |
1.2 |
0.127 |
0 |
0 |
0 |
0.000 |
206 |
|
[BMA]P:604 |
6 |
1 |
291 |
cf |
[NAG]P:603 |
x,y,z |
1_555 |
6 |
1 |
364 |
56.5 |
1.1 |
0.115 |
0 |
0 |
0 |
0.000 |
207 |
|
[BMA]L:603 |
6 |
1 |
288 |
cf |
[NAG]L:602 |
x,y,z |
1_555 |
5 |
1 |
360 |
56.3 |
1.1 |
0.140 |
0 |
0 |
0 |
0.000 |
| Average: |
57.0 |
1.2 |
0.125 |
0 |
0 |
0 |
0.000 |
| 70 |
208 |
|
[0KY]P:614 |
10 |
1 |
423 |
◊ |
N |
x,y,z |
1_555 |
8 |
4 |
10823 |
57.5 |
1.1 |
0.368 |
0 |
0 |
0 |
0.000 |
209 |
|
[0KY]H:610 |
11 |
1 |
412 |
◊ |
F |
x,y,z |
1_555 |
9 |
5 |
10788 |
44.2 |
1.0 |
0.357 |
0 |
0 |
0 |
0.000 |
| Average: |
50.9 |
1.0 |
0.363 |
0 |
0 |
0 |
0.000 |
| 71 |
210 |
|
[MAN]P:613 |
6 |
1 |
289 |
cf |
[BMA]P:611 |
x,y,z |
1_555 |
5 |
1 |
293 |
57.4 |
2.6 |
0.273 |
0 |
0 |
0 |
0.000 |
| 72 |
211 |
|
[FUC]D:606 |
5 |
1 |
276 |
cf |
[NAG]D:601 |
x,y,z |
1_555 |
6 |
1 |
363 |
56.8 |
2.3 |
0.234 |
0 |
0 |
0 |
0.000 |
212 |
|
[FUC]H:606 |
5 |
1 |
278 |
cf |
[NAG]H:601 |
x,y,z |
1_555 |
6 |
1 |
359 |
56.4 |
2.2 |
0.255 |
0 |
0 |
0 |
0.000 |
213 |
|
[FUC]L:606 |
5 |
1 |
278 |
cf |
[NAG]L:601 |
x,y,z |
1_555 |
6 |
1 |
358 |
56.0 |
2.2 |
0.243 |
0 |
0 |
0 |
0.000 |
214 |
|
[FUC]P:607 |
5 |
1 |
277 |
cf |
[NAG]P:602 |
x,y,z |
1_555 |
5 |
1 |
361 |
55.6 |
2.3 |
0.273 |
0 |
0 |
0 |
0.000 |
215 |
|
[FUC]O:606 |
5 |
1 |
276 |
cf |
[NAG]O:601 |
x,y,z |
1_555 |
6 |
1 |
360 |
55.0 |
2.3 |
0.251 |
0 |
0 |
0 |
0.000 |
216 |
|
[FUC]G:606 |
6 |
1 |
278 |
cf |
[NAG]G:601 |
x,y,z |
1_555 |
6 |
1 |
362 |
55.0 |
2.3 |
0.215 |
0 |
0 |
0 |
0.000 |
217 |
|
[FUC]K:606 |
5 |
1 |
277 |
cf |
[NAG]K:601 |
x,y,z |
1_555 |
6 |
1 |
356 |
54.7 |
2.1 |
0.243 |
0 |
0 |
0 |
0.000 |
218 |
|
[FUC]C:607 |
5 |
1 |
279 |
cf |
[NAG]C:602 |
x,y,z |
1_555 |
5 |
1 |
359 |
54.2 |
2.2 |
0.270 |
0 |
0 |
0 |
0.000 |
| Average: |
55.5 |
2.2 |
0.248 |
0 |
0 |
0 |
0.000 |
| 73 |
219 |
|
[MAN]P:605 |
6 |
1 |
287 |
c |
[BMA]P:604 |
x,y,z |
1_555 |
6 |
1 |
291 |
55.2 |
2.4 |
0.212 |
0 |
0 |
0 |
0.000 |
220 |
|
[MAN]O:604 |
6 |
1 |
287 |
c |
[BMA]O:603 |
x,y,z |
1_555 |
6 |
1 |
291 |
54.8 |
2.4 |
0.212 |
0 |
0 |
0 |
0.000 |
221 |
|
[MAN]G:604 |
6 |
1 |
288 |
c |
[BMA]G:603 |
x,y,z |
1_555 |
6 |
1 |
291 |
54.6 |
2.4 |
0.216 |
0 |
0 |
0 |
0.000 |
| Average: |
54.9 |
2.4 |
0.213 |
0 |
0 |
0 |
0.000 |
| 74 |
222 |
|
[MAN]H:604 |
6 |
1 |
290 |
cf |
[BMA]H:603 |
x,y,z |
1_555 |
5 |
1 |
289 |
55.0 |
2.3 |
0.225 |
0 |
0 |
0 |
0.000 |
| 75 |
223 |
|
[MAN]L:604 |
6 |
1 |
286 |
c |
[BMA]L:603 |
x,y,z |
1_555 |
6 |
1 |
288 |
54.8 |
2.3 |
0.206 |
0 |
0 |
0 |
0.000 |
224 |
|
[MAN]D:604 |
5 |
1 |
287 |
c |
[BMA]D:603 |
x,y,z |
1_555 |
6 |
1 |
291 |
54.4 |
2.4 |
0.233 |
0 |
0 |
0 |
0.000 |
| Average: |
54.6 |
2.3 |
0.220 |
0 |
0 |
0 |
0.000 |
| 76 |
225 |
|
[MAN]C:605 |
6 |
1 |
288 |
cf |
[BMA]C:604 |
x,y,z |
1_555 |
6 |
1 |
291 |
53.6 |
2.3 |
0.212 |
0 |
0 |
0 |
0.000 |
| 77 |
226 |
|
[MAN]K:604 |
5 |
1 |
288 |
cf |
[BMA]K:603 |
x,y,z |
1_555 |
6 |
1 |
291 |
53.2 |
2.3 |
0.227 |
0 |
0 |
0 |
0.000 |
| 78 |
227 |
|
L |
9 |
3 |
22744 |
◊ |
G |
x,y,z-1 |
1_554 |
7 |
3 |
22912 |
52.3 |
-1.7 |
0.151 |
0 |
0 |
0 |
0.000 |
228 |
|
O |
8 |
3 |
22875 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
3 |
22888 |
48.8 |
-1.7 |
0.178 |
0 |
0 |
0 |
0.000 |
| Average: |
50.5 |
-1.7 |
0.164 |
0 |
0 |
0 |
0.000 |
| 79 |
229 |
|
K |
7 |
3 |
22986 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
4 |
22857 |
51.5 |
-0.3 |
0.516 |
0 |
0 |
0 |
0.000 |
| 80 |
230 |
|
[NAG]O:608 |
5 |
1 |
360 |
◊ |
G |
x,y,z-1 |
1_554 |
5 |
1 |
22912 |
50.3 |
0.6 |
0.253 |
2 |
0 |
0 |
0.000 |
| 81 |
231 |
|
K |
4 |
2 |
22986 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
22941 |
49.7 |
-0.3 |
0.233 |
0 |
0 |
0 |
0.000 |
| 82 |
232 |
|
[0KY]O:610 |
8 |
1 |
415 |
◊ |
M |
x,y,z |
1_555 |
8 |
4 |
10840 |
49.7 |
1.0 |
0.365 |
0 |
0 |
0 |
0.000 |
| 83 |
233 |
|
[CL]B:201 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
10786 |
49.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.052 |
234 |
|
[CL]N:201 |
1 |
1 |
125 |
◊ |
N |
x,y,z |
1_555 |
14 |
4 |
10823 |
49.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.052 |
235 |
|
[CL]J:201 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
12 |
4 |
10863 |
48.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.052 |
236 |
|
[CL]E:1601 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
14 |
4 |
10809 |
48.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.052 |
237 |
|
[CL]A:1601 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
10829 |
48.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.052 |
238 |
|
[CL]F:201 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
10788 |
48.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.052 |
239 |
|
[CL]I:1601 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
13 |
4 |
10776 |
48.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.052 |
240 |
|
[CL]M:1601 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
14 |
4 |
10840 |
47.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
48.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.052 |
| 84 |
241 |
|
C |
6 |
2 |
22857 |
◊ |
[MAN]P:613 |
x-1,y,z |
1_455 |
7 |
1 |
289 |
49.2 |
0.6 |
0.261 |
0 |
0 |
0 |
0.000 |
| 85 |
242 |
|
[CL]F:201 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
6 |
22941 |
49.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.119 |
243 |
|
[CL]J:201 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
10 |
6 |
22744 |
49.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.119 |
244 |
|
[CL]I:1601 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
11 |
6 |
22986 |
48.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.119 |
245 |
|
[CL]M:1601 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
11 |
6 |
22875 |
48.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.119 |
246 |
|
[CL]N:201 |
1 |
1 |
125 |
f |
P |
x,y,z |
1_555 |
10 |
6 |
22848 |
48.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.119 |
247 |
|
[CL]B:201 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
22888 |
48.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.119 |
248 |
|
[CL]E:1601 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
9 |
6 |
22912 |
48.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.119 |
249 |
|
[CL]A:1601 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
22857 |
48.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.119 |
| Average: |
48.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.119 |
| 86 |
250 |
|
[NAG]G:601 |
6 |
1 |
362 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
22941 |
46.7 |
-0.3 |
0.147 |
0 |
0 |
0 |
0.000 |
251 |
|
[NAG]D:601 |
6 |
1 |
363 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
22857 |
45.0 |
-0.2 |
0.136 |
0 |
0 |
0 |
0.000 |
252 |
|
[NAG]O:601 |
6 |
1 |
360 |
◊ |
P |
x,y,z |
1_555 |
5 |
2 |
22848 |
44.8 |
-0.2 |
0.140 |
0 |
0 |
0 |
0.000 |
253 |
|
[NAG]P:602 |
6 |
1 |
361 |
◊ |
O |
x,y,z |
1_555 |
5 |
2 |
22875 |
44.5 |
-0.2 |
0.134 |
0 |
0 |
0 |
0.000 |
254 |
|
[NAG]H:601 |
6 |
1 |
359 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
22912 |
44.4 |
-0.2 |
0.157 |
0 |
0 |
0 |
0.000 |
255 |
|
[NAG]L:601 |
6 |
1 |
358 |
◊ |
K |
x,y,z |
1_555 |
6 |
3 |
22986 |
44.2 |
-0.1 |
0.156 |
0 |
0 |
0 |
0.000 |
256 |
|
[NAG]C:602 |
6 |
1 |
359 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
22888 |
43.8 |
-0.2 |
0.141 |
0 |
0 |
0 |
0.000 |
257 |
|
[NAG]K:601 |
6 |
1 |
356 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
22744 |
42.1 |
-0.2 |
0.138 |
0 |
0 |
0 |
0.000 |
| Average: |
44.4 |
-0.2 |
0.144 |
0 |
0 |
0 |
0.000 |
| 87 |
258 |
|
[NAG]D:608 |
4 |
1 |
364 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
10788 |
43.4 |
1.0 |
0.490 |
0 |
0 |
0 |
0.000 |
| 88 |
259 |
|
[FUC]C:607 |
6 |
1 |
279 |
◊ |
[MAN]D:605 |
x,y,z |
1_555 |
4 |
1 |
290 |
39.8 |
0.4 |
0.082 |
0 |
0 |
0 |
0.000 |
260 |
|
[FUC]P:607 |
7 |
1 |
277 |
◊ |
[MAN]O:605 |
x,y,z |
1_555 |
3 |
1 |
288 |
39.7 |
0.3 |
0.105 |
0 |
0 |
0 |
0.000 |
261 |
|
[FUC]O:606 |
6 |
1 |
276 |
◊ |
[MAN]P:606 |
x,y,z |
1_555 |
3 |
1 |
290 |
37.5 |
0.4 |
0.119 |
0 |
0 |
0 |
0.000 |
| Average: |
39.0 |
0.4 |
0.102 |
0 |
0 |
0 |
0.000 |
| 89 |
262 |
|
[MAN]P:606 |
3 |
1 |
290 |
◊ |
M |
x,y,z |
1_555 |
11 |
1 |
10840 |
39.4 |
1.0 |
0.600 |
0 |
0 |
0 |
0.000 |
263 |
|
[MAN]D:605 |
3 |
1 |
290 |
◊ |
A |
x,y,z |
1_555 |
11 |
1 |
10829 |
38.7 |
1.0 |
0.622 |
0 |
0 |
0 |
0.000 |
264 |
|
[MAN]G:605 |
2 |
1 |
290 |
◊ |
F |
x,y,z |
1_555 |
10 |
1 |
10788 |
38.6 |
0.9 |
0.687 |
0 |
0 |
0 |
0.000 |
265 |
|
[MAN]H:605 |
3 |
1 |
289 |
◊ |
E |
x,y,z |
1_555 |
11 |
1 |
10809 |
38.5 |
1.0 |
0.620 |
0 |
0 |
0 |
0.000 |
266 |
|
[MAN]C:606 |
2 |
1 |
290 |
◊ |
B |
x,y,z |
1_555 |
11 |
1 |
10786 |
38.2 |
0.9 |
0.684 |
0 |
0 |
0 |
0.000 |
267 |
|
[MAN]O:605 |
2 |
1 |
288 |
◊ |
N |
x,y,z |
1_555 |
10 |
1 |
10823 |
38.0 |
0.9 |
0.679 |
0 |
0 |
0 |
0.000 |
268 |
|
[MAN]K:605 |
3 |
1 |
289 |
◊ |
J |
x,y,z |
1_555 |
10 |
1 |
10863 |
37.5 |
0.9 |
0.565 |
0 |
0 |
0 |
0.000 |
269 |
|
[MAN]L:605 |
3 |
1 |
291 |
◊ |
I |
x,y,z |
1_555 |
12 |
1 |
10776 |
37.5 |
0.9 |
0.624 |
0 |
0 |
0 |
0.000 |
| Average: |
38.3 |
0.9 |
0.635 |
0 |
0 |
0 |
0.000 |
| 90 |
270 |
|
[FUC]O:606 |
3 |
1 |
276 |
f |
[NAG]O:602 |
x,y,z |
1_555 |
6 |
1 |
363 |
38.8 |
2.0 |
0.253 |
0 |
0 |
0 |
0.000 |
271 |
|
[FUC]G:606 |
3 |
1 |
278 |
f |
[NAG]G:602 |
x,y,z |
1_555 |
6 |
1 |
359 |
38.8 |
1.9 |
0.253 |
0 |
0 |
0 |
0.000 |
272 |
|
[FUC]C:607 |
2 |
1 |
279 |
f |
[NAG]C:603 |
x,y,z |
1_555 |
7 |
1 |
358 |
38.5 |
2.0 |
0.250 |
0 |
0 |
0 |
0.000 |
273 |
|
[FUC]K:606 |
3 |
1 |
277 |
f |
[NAG]K:602 |
x,y,z |
1_555 |
6 |
1 |
360 |
37.8 |
1.9 |
0.237 |
0 |
0 |
0 |
0.000 |
274 |
|
[FUC]P:607 |
2 |
1 |
277 |
f |
[NAG]P:603 |
x,y,z |
1_555 |
5 |
1 |
364 |
37.7 |
1.9 |
0.404 |
0 |
0 |
0 |
0.000 |
275 |
|
[FUC]L:606 |
3 |
1 |
278 |
f |
[NAG]L:602 |
x,y,z |
1_555 |
5 |
1 |
360 |
37.7 |
1.9 |
0.275 |
0 |
0 |
0 |
0.000 |
| Average: |
38.2 |
1.9 |
0.279 |
0 |
0 |
0 |
0.000 |
| 91 |
276 |
|
[FUC]D:606 |
7 |
1 |
276 |
◊ |
[MAN]C:606 |
x,y,z |
1_555 |
4 |
1 |
290 |
38.5 |
0.4 |
0.080 |
0 |
0 |
0 |
0.000 |
277 |
|
[FUC]H:606 |
6 |
1 |
278 |
◊ |
[MAN]G:605 |
x,y,z |
1_555 |
3 |
1 |
290 |
38.3 |
0.5 |
0.165 |
0 |
0 |
0 |
0.000 |
278 |
|
[FUC]L:606 |
7 |
1 |
278 |
◊ |
[MAN]K:605 |
x,y,z |
1_555 |
4 |
1 |
289 |
38.2 |
0.4 |
0.084 |
0 |
0 |
0 |
0.000 |
279 |
|
[FUC]G:606 |
6 |
1 |
278 |
◊ |
[MAN]H:605 |
x,y,z |
1_555 |
3 |
1 |
289 |
36.8 |
0.4 |
0.113 |
0 |
0 |
0 |
0.000 |
| Average: |
38.0 |
0.4 |
0.110 |
0 |
0 |
0 |
0.000 |
| 92 |
280 |
|
[FUC]D:606 |
3 |
1 |
276 |
f |
[NAG]D:602 |
x,y,z |
1_555 |
7 |
1 |
360 |
37.8 |
1.9 |
0.187 |
0 |
0 |
0 |
0.000 |
281 |
|
[FUC]H:606 |
3 |
1 |
278 |
f |
[NAG]H:602 |
x,y,z |
1_555 |
6 |
1 |
360 |
37.1 |
1.9 |
0.253 |
0 |
0 |
0 |
0.000 |
| Average: |
37.5 |
1.9 |
0.220 |
0 |
0 |
0 |
0.000 |
| 93 |
282 |
|
[FUC]K:606 |
7 |
1 |
277 |
◊ |
[MAN]L:605 |
x,y,z |
1_555 |
3 |
1 |
291 |
37.2 |
0.5 |
0.105 |
0 |
0 |
0 |
0.000 |
| 94 |
283 |
|
B |
4 |
2 |
10786 |
◊ |
[NAG]L:608 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
363 |
36.7 |
1.0 |
0.581 |
0 |
0 |
0 |
0.000 |
| 95 |
284 |
|
[NAG]P:603 |
3 |
1 |
364 |
◊ |
M |
x,y,z |
1_555 |
4 |
3 |
10840 |
34.9 |
0.4 |
0.418 |
0 |
0 |
0 |
0.000 |
285 |
|
[NAG]D:602 |
3 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10829 |
33.1 |
0.4 |
0.366 |
0 |
0 |
0 |
0.000 |
286 |
|
[NAG]C:603 |
3 |
1 |
358 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10786 |
32.9 |
0.4 |
0.310 |
0 |
0 |
0 |
0.000 |
287 |
|
[NAG]O:602 |
3 |
1 |
363 |
◊ |
N |
x,y,z |
1_555 |
4 |
3 |
10823 |
32.5 |
0.4 |
0.431 |
0 |
0 |
0 |
0.000 |
288 |
|
[NAG]G:602 |
3 |
1 |
359 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
10788 |
30.7 |
0.4 |
0.330 |
0 |
0 |
0 |
0.000 |
289 |
|
[NAG]K:602 |
3 |
1 |
360 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
10863 |
30.5 |
0.4 |
0.269 |
0 |
0 |
0 |
0.000 |
290 |
|
[NAG]L:602 |
3 |
1 |
360 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
10776 |
29.7 |
0.4 |
0.289 |
0 |
0 |
0 |
0.000 |
291 |
|
[NAG]H:602 |
3 |
1 |
360 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
10809 |
29.7 |
0.4 |
0.289 |
0 |
0 |
0 |
0.000 |
| Average: |
31.7 |
0.4 |
0.338 |
0 |
0 |
0 |
0.000 |
| 96 |
292 |
|
A |
4 |
2 |
10829 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
6 |
3 |
22744 |
33.1 |
0.7 |
0.812 |
0 |
0 |
0 |
0.000 |
293 |
|
P |
3 |
2 |
22848 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
3 |
1 |
10776 |
14.7 |
0.2 |
0.728 |
0 |
0 |
0 |
0.000 |
| Average: |
23.9 |
0.4 |
0.770 |
0 |
0 |
0 |
0.000 |
| 97 |
294 |
|
[NAG]K:602 |
3 |
1 |
360 |
f |
K |
x,y,z |
1_555 |
3 |
1 |
22986 |
31.7 |
1.0 |
0.536 |
0 |
0 |
0 |
0.000 |
295 |
|
[NAG]H:602 |
3 |
1 |
360 |
f |
H |
x,y,z |
1_555 |
2 |
1 |
22941 |
31.6 |
1.0 |
0.569 |
0 |
0 |
0 |
0.000 |
296 |
|
[NAG]L:602 |
3 |
1 |
360 |
f |
L |
x,y,z |
1_555 |
2 |
1 |
22744 |
31.5 |
0.9 |
0.508 |
0 |
0 |
0 |
0.000 |
297 |
|
[NAG]P:603 |
3 |
1 |
364 |
f |
P |
x,y,z |
1_555 |
2 |
1 |
22848 |
31.1 |
1.0 |
0.552 |
0 |
0 |
0 |
0.000 |
298 |
|
[NAG]D:602 |
3 |
1 |
360 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
22888 |
31.1 |
1.0 |
0.521 |
0 |
0 |
0 |
0.000 |
299 |
|
[NAG]C:603 |
3 |
1 |
358 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
22857 |
29.9 |
0.9 |
0.446 |
0 |
0 |
0 |
0.000 |
300 |
|
[NAG]O:602 |
3 |
1 |
363 |
f |
O |
x,y,z |
1_555 |
2 |
1 |
22875 |
29.5 |
0.9 |
0.444 |
0 |
0 |
0 |
0.000 |
301 |
|
[NAG]G:602 |
3 |
1 |
359 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
22912 |
29.2 |
0.9 |
0.462 |
0 |
0 |
0 |
0.000 |
| Average: |
30.7 |
0.9 |
0.505 |
0 |
0 |
0 |
0.000 |
| 98 |
302 |
|
[CA]K:609 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
5 |
4 |
22986 |
31.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.135 |
303 |
|
[CA]C:610 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
22857 |
31.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.135 |
304 |
|
[CA]O:609 |
1 |
1 |
85 |
f |
O |
x,y,z |
1_555 |
5 |
4 |
22875 |
31.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.135 |
305 |
|
[CA]G:609 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
22912 |
31.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.135 |
306 |
|
[CA]D:609 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
22888 |
31.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.135 |
307 |
|
[CA]P:601 |
1 |
1 |
85 |
f |
P |
x,y,z |
1_555 |
5 |
4 |
22848 |
31.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.135 |
308 |
|
[CA]L:609 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
5 |
4 |
22744 |
31.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.135 |
309 |
|
[CA]H:609 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
5 |
4 |
22941 |
30.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.135 |
| Average: |
31.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.135 |
| 99 |
310 |
|
L |
3 |
2 |
22744 |
x |
L |
x-1,y,z |
1_455 |
2 |
1 |
22744 |
31.1 |
1.3 |
0.883 |
0 |
0 |
0 |
0.000 |
311 |
|
H |
4 |
2 |
22941 |
x |
H |
x-1,y,z |
1_455 |
3 |
2 |
22941 |
29.9 |
1.4 |
0.893 |
1 |
0 |
0 |
0.000 |
312 |
|
D |
5 |
2 |
22888 |
x |
D |
x-1,y,z |
1_455 |
2 |
1 |
22888 |
20.2 |
0.5 |
0.649 |
0 |
0 |
0 |
0.000 |
313 |
|
P |
3 |
3 |
22848 |
x |
P |
x-1,y,z |
1_455 |
2 |
2 |
22848 |
11.5 |
0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
| Average: |
23.2 |
0.8 |
0.776 |
0 |
0 |
0 |
0.000 |
| 100 |
314 |
|
P |
2 |
1 |
22848 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22857 |
28.4 |
-1.1 |
0.082 |
0 |
0 |
0 |
0.000 |
| 101 |
315 |
|
N |
4 |
2 |
10823 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
2 |
2 |
22986 |
27.3 |
0.6 |
0.812 |
0 |
0 |
0 |
0.000 |
316 |
|
C |
1 |
1 |
22857 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
3 |
1 |
10863 |
2.9 |
0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
| Average: |
15.1 |
0.3 |
0.776 |
0 |
0 |
0 |
0.000 |
| 102 |
317 |
|
P |
5 |
2 |
22848 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
3 |
2 |
10863 |
27.0 |
0.6 |
0.760 |
0 |
0 |
0 |
0.000 |
| 103 |
318 |
|
[BMA]P:611 |
5 |
1 |
293 |
f |
P |
x,y,z |
1_555 |
3 |
1 |
22848 |
27.0 |
1.0 |
0.362 |
0 |
0 |
0 |
0.000 |
| 104 |
319 |
|
[MAN]L:605 |
4 |
1 |
291 |
f |
[NAG]L:602 |
x,y,z |
1_555 |
3 |
1 |
360 |
26.4 |
0.6 |
0.209 |
0 |
0 |
0 |
0.000 |
320 |
|
[MAN]O:605 |
4 |
1 |
288 |
f |
[NAG]O:602 |
x,y,z |
1_555 |
3 |
1 |
363 |
26.3 |
0.8 |
0.224 |
0 |
0 |
0 |
0.000 |
321 |
|
[MAN]H:605 |
4 |
1 |
289 |
f |
[NAG]H:602 |
x,y,z |
1_555 |
3 |
1 |
360 |
26.0 |
0.8 |
0.224 |
0 |
0 |
0 |
0.000 |
322 |
|
[MAN]C:606 |
4 |
1 |
290 |
f |
[NAG]C:603 |
x,y,z |
1_555 |
3 |
1 |
358 |
25.9 |
0.7 |
0.212 |
0 |
0 |
0 |
0.000 |
323 |
|
[MAN]K:605 |
3 |
1 |
289 |
f |
[NAG]K:602 |
x,y,z |
1_555 |
3 |
1 |
360 |
25.4 |
0.8 |
0.216 |
0 |
0 |
0 |
0.000 |
324 |
|
[MAN]P:606 |
4 |
1 |
290 |
f |
[NAG]P:603 |
x,y,z |
1_555 |
3 |
1 |
364 |
25.4 |
0.7 |
0.198 |
0 |
0 |
0 |
0.000 |
325 |
|
[MAN]D:605 |
4 |
1 |
290 |
f |
[NAG]D:602 |
x,y,z |
1_555 |
3 |
1 |
360 |
25.1 |
0.7 |
0.197 |
0 |
0 |
0 |
0.000 |
326 |
|
[MAN]G:605 |
3 |
1 |
290 |
f |
[NAG]G:602 |
x,y,z |
1_555 |
3 |
1 |
359 |
24.3 |
0.8 |
0.228 |
0 |
0 |
0 |
0.000 |
| Average: |
25.6 |
0.7 |
0.214 |
0 |
0 |
0 |
0.000 |
| 105 |
327 |
|
[CA]H:609 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
10788 |
26.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.042 |
328 |
|
[CA]O:609 |
1 |
1 |
85 |
◊ |
M |
x,y,z |
1_555 |
4 |
2 |
10840 |
25.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.042 |
329 |
|
[CA]P:601 |
1 |
1 |
85 |
◊ |
N |
x,y,z |
1_555 |
3 |
2 |
10823 |
25.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.042 |
330 |
|
[CA]G:609 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
10809 |
25.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.042 |
331 |
|
[CA]L:609 |
1 |
1 |
85 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
10863 |
25.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.042 |
332 |
|
[CA]K:609 |
1 |
1 |
85 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
10776 |
25.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.042 |
333 |
|
[CA]C:610 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10829 |
25.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.042 |
334 |
|
[CA]D:609 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10786 |
25.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
25.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.042 |
| 106 |
335 |
|
[NAG]C:608 |
2 |
1 |
361 |
◊ |
[NAG]P:610 |
x-1,y,z |
1_455 |
3 |
1 |
360 |
25.6 |
1.4 |
0.417 |
0 |
0 |
0 |
0.000 |
| 107 |
336 |
|
I |
3 |
2 |
10776 |
◊ |
N |
x-1,y,z |
1_455 |
2 |
2 |
10823 |
24.5 |
0.9 |
0.900 |
0 |
0 |
0 |
0.000 |
337 |
|
E |
3 |
2 |
10809 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
10786 |
20.8 |
0.6 |
0.845 |
0 |
0 |
0 |
0.000 |
338 |
|
F |
3 |
2 |
10788 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10829 |
18.7 |
0.5 |
0.800 |
0 |
0 |
0 |
0.000 |
339 |
|
M |
2 |
2 |
10840 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
10863 |
7.7 |
0.4 |
0.823 |
0 |
0 |
0 |
0.000 |
| Average: |
17.9 |
0.6 |
0.842 |
0 |
0 |
0 |
0.000 |
| 108 |
340 |
|
P |
1 |
1 |
22848 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
3 |
1 |
22986 |
19.2 |
0.3 |
0.810 |
0 |
0 |
0 |
0.000 |
341 |
|
C |
1 |
1 |
22857 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
1 |
1 |
22744 |
2.0 |
0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
| Average: |
10.6 |
0.2 |
0.776 |
0 |
0 |
0 |
0.000 |
| 109 |
342 |
|
[NAG]G:608 |
3 |
1 |
352 |
◊ |
O |
x-1,y,z+1 |
1_456 |
2 |
1 |
22875 |
15.2 |
0.3 |
0.338 |
0 |
0 |
0 |
0.000 |
| 110 |
343 |
|
A |
1 |
1 |
10829 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
1 |
1 |
10863 |
12.0 |
0.3 |
0.838 |
0 |
0 |
0 |
0.000 |
| 111 |
344 |
|
[MAN]P:612 |
2 |
1 |
293 |
f |
[NAG]P:610 |
x,y,z |
1_555 |
3 |
1 |
360 |
11.8 |
0.4 |
0.246 |
0 |
0 |
0 |
0.000 |
| 112 |
345 |
|
[MAN]P:613 |
2 |
1 |
289 |
f |
[NAG]P:610 |
x,y,z |
1_555 |
2 |
1 |
360 |
10.5 |
0.6 |
0.232 |
0 |
0 |
0 |
0.000 |
| 113 |
346 |
|
C |
1 |
1 |
22857 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
22888 |
9.3 |
0.2 |
0.451 |
0 |
0 |
0 |
0.000 |
| 114 |
347 |
|
[NAG]P:608 |
1 |
1 |
362 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
2 |
2 |
10863 |
7.6 |
0.1 |
0.434 |
0 |
0 |
0 |
0.000 |
| 115 |
348 |
|
[MAN]L:604 |
3 |
1 |
286 |
◊ |
[NAG]L:602 |
x,y,z |
1_555 |
3 |
1 |
360 |
7.4 |
0.4 |
0.229 |
0 |
0 |
0 |
0.000 |
349 |
|
[MAN]G:604 |
1 |
1 |
288 |
◊ |
[NAG]G:602 |
x,y,z |
1_555 |
1 |
1 |
359 |
0.3 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
350 |
|
[MAN]P:605 |
1 |
1 |
287 |
◊ |
[NAG]P:603 |
x,y,z |
1_555 |
1 |
1 |
364 |
0.2 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| Average: |
2.6 |
0.1 |
0.184 |
0 |
0 |
0 |
0.000 |
| 116 |
351 |
|
[MAN]H:605 |
1 |
1 |
289 |
◊ |
[MAN]G:605 |
x,y,z |
1_555 |
1 |
1 |
290 |
6.7 |
0.2 |
0.182 |
0 |
0 |
0 |
0.000 |
352 |
|
[MAN]L:605 |
1 |
1 |
291 |
◊ |
[MAN]K:605 |
x,y,z |
1_555 |
1 |
1 |
289 |
6.0 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
353 |
|
[MAN]D:605 |
1 |
1 |
290 |
◊ |
[MAN]C:606 |
x,y,z |
1_555 |
1 |
1 |
290 |
5.7 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
354 |
|
[MAN]P:606 |
1 |
1 |
290 |
◊ |
[MAN]O:605 |
x,y,z |
1_555 |
1 |
1 |
288 |
3.9 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
| Average: |
5.6 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
| 117 |
355 |
|
[MAN]H:604 |
3 |
1 |
290 |
f |
[NAG]H:602 |
x,y,z |
1_555 |
3 |
1 |
360 |
4.6 |
0.2 |
0.190 |
0 |
0 |
0 |
0.000 |
| 118 |
356 |
|
C |
1 |
1 |
22857 |
◊ |
[MAN]P:612 |
x-1,y,z |
1_455 |
2 |
1 |
293 |
3.6 |
0.1 |
0.317 |
0 |
0 |
0 |
0.000 |
| 119 |
357 |
|
[MAN]G:605 |
1 |
1 |
290 |
◊ |
[NAG]H:601 |
x,y,z |
1_555 |
1 |
1 |
359 |
2.6 |
0.1 |
0.161 |
0 |
0 |
0 |
0.000 |
358 |
|
[MAN]H:605 |
1 |
1 |
289 |
◊ |
[NAG]G:601 |
x,y,z |
1_555 |
1 |
1 |
362 |
1.6 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
359 |
|
[MAN]L:605 |
1 |
1 |
291 |
◊ |
[NAG]K:601 |
x,y,z |
1_555 |
1 |
1 |
356 |
1.5 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
360 |
|
[MAN]C:606 |
1 |
1 |
290 |
◊ |
[NAG]D:601 |
x,y,z |
1_555 |
1 |
1 |
363 |
1.4 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
361 |
|
[MAN]D:605 |
1 |
1 |
290 |
◊ |
[NAG]C:602 |
x,y,z |
1_555 |
1 |
1 |
359 |
1.2 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
362 |
|
[MAN]K:605 |
1 |
1 |
289 |
◊ |
[NAG]L:601 |
x,y,z |
1_555 |
1 |
1 |
358 |
1.2 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
363 |
|
[MAN]P:606 |
1 |
1 |
290 |
◊ |
[NAG]O:601 |
x,y,z |
1_555 |
1 |
1 |
360 |
0.7 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
364 |
|
[MAN]O:605 |
1 |
1 |
288 |
◊ |
[NAG]P:602 |
x,y,z |
1_555 |
1 |
1 |
361 |
0.2 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| Average: |
1.3 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 120 |
365 |
|
M |
1 |
1 |
10840 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
1 |
1 |
10788 |
1.7 |
0.1 |
0.729 |
0 |
0 |
0 |
0.000 |
| 121 |
366 |
|
[NAG]C:609 |
1 |
1 |
365 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
22986 |
1.0 |
-0.0 |
0.276 |
0 |
0 |
0 |
0.000 |
| 122 |
367 |
|
[MAN]C:605 |
2 |
1 |
288 |
f |
[NAG]C:603 |
x,y,z |
1_555 |
2 |
1 |
358 |
0.5 |
0.0 |
0.225 |
0 |
0 |
0 |
0.000 |
|