| ## |
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 |
166 |
39 |
9744 |
◊ |
A |
x,y,z |
1_555 |
157 |
42 |
9088 |
1584.8 |
-24.8 |
0.055 |
13 |
6 |
0 |
0.375 |
2 |
|
F |
173 |
40 |
9535 |
◊ |
E |
x,y,z |
1_555 |
153 |
40 |
9053 |
1570.3 |
-24.8 |
0.066 |
15 |
6 |
0 |
0.375 |
3 |
|
J |
169 |
39 |
9545 |
◊ |
I |
x,y,z |
1_555 |
161 |
42 |
9189 |
1567.9 |
-26.1 |
0.054 |
13 |
6 |
0 |
0.375 |
4 |
|
L |
166 |
39 |
9765 |
◊ |
K |
x,y,z |
1_555 |
158 |
42 |
9177 |
1564.3 |
-25.6 |
0.045 |
11 |
5 |
0 |
0.375 |
5 |
|
D |
162 |
39 |
9561 |
◊ |
C |
x,y,z |
1_555 |
152 |
40 |
8974 |
1548.8 |
-25.3 |
0.045 |
13 |
4 |
0 |
0.375 |
6 |
|
H |
164 |
38 |
9622 |
◊ |
G |
x,y,z |
1_555 |
154 |
40 |
9049 |
1539.1 |
-25.5 |
0.050 |
15 |
7 |
0 |
0.375 |
| Average: |
1562.5 |
-25.4 |
0.053 |
13 |
6 |
0 |
0.375 |
| 2 |
7 |
|
I |
106 |
31 |
9189 |
◊ |
E |
x,y,z |
1_555 |
110 |
30 |
9053 |
987.1 |
-2.8 |
0.810 |
14 |
5 |
0 |
0.231 |
8 |
|
G |
105 |
28 |
9049 |
◊ |
A |
x,y,z |
1_555 |
99 |
28 |
9088 |
969.2 |
-0.5 |
0.879 |
19 |
7 |
0 |
0.231 |
9 |
|
K |
107 |
29 |
9177 |
◊ |
C |
x,y,z |
1_555 |
106 |
29 |
8974 |
968.6 |
-3.1 |
0.773 |
19 |
12 |
0 |
0.231 |
| Average: |
975.0 |
-2.1 |
0.821 |
17 |
8 |
0 |
0.231 |
| 3 |
10 |
|
[CYC]L:201 |
43 |
1 |
917 |
cf |
L |
x,y,z |
1_555 |
64 |
26 |
9765 |
579.4 |
-13.3 |
0.705 |
6 |
0 |
0 |
0.251 |
11 |
|
[CYC]J:201 |
42 |
1 |
915 |
cf |
J |
x,y,z |
1_555 |
70 |
26 |
9545 |
576.3 |
-14.4 |
0.687 |
5 |
0 |
0 |
0.251 |
12 |
|
[CYC]F:201 |
42 |
1 |
918 |
cf |
F |
x,y,z |
1_555 |
62 |
26 |
9535 |
575.5 |
-14.8 |
0.611 |
5 |
0 |
0 |
0.251 |
13 |
|
[CYC]D:201 |
42 |
1 |
918 |
cf |
D |
x,y,z |
1_555 |
65 |
26 |
9561 |
572.9 |
-14.4 |
0.640 |
5 |
0 |
0 |
0.251 |
14 |
|
[CYC]B:201 |
42 |
1 |
915 |
cf |
B |
x,y,z |
1_555 |
67 |
25 |
9744 |
567.6 |
-14.2 |
0.650 |
6 |
0 |
0 |
0.251 |
15 |
|
[CYC]H:201 |
43 |
1 |
911 |
cf |
H |
x,y,z |
1_555 |
65 |
25 |
9622 |
561.5 |
-14.6 |
0.528 |
5 |
0 |
0 |
0.251 |
| Average: |
572.2 |
-14.3 |
0.637 |
5 |
0 |
0 |
0.251 |
| 4 |
16 |
|
[CYC]A:201 |
43 |
1 |
909 |
cf |
A |
x,y,z |
1_555 |
81 |
28 |
9088 |
560.7 |
-15.0 |
0.560 |
6 |
0 |
0 |
0.644 |
17 |
|
[CYC]G:201 |
43 |
1 |
907 |
cf |
G |
x,y,z |
1_555 |
77 |
28 |
9049 |
559.0 |
-16.2 |
0.443 |
7 |
0 |
0 |
0.644 |
18 |
|
[CYC]K:201 |
43 |
1 |
899 |
cf |
K |
x,y,z |
1_555 |
83 |
28 |
9177 |
558.6 |
-15.1 |
0.540 |
7 |
0 |
0 |
0.644 |
19 |
|
[CYC]I:201 |
43 |
1 |
908 |
cf |
I |
x,y,z |
1_555 |
80 |
28 |
9189 |
553.7 |
-16.3 |
0.452 |
7 |
0 |
0 |
0.644 |
20 |
|
[CYC]C:201 |
43 |
1 |
906 |
cf |
C |
x,y,z |
1_555 |
76 |
28 |
8974 |
549.9 |
-15.7 |
0.485 |
7 |
0 |
0 |
0.644 |
21 |
|
[CYC]E:201 |
43 |
1 |
902 |
cf |
E |
x,y,z |
1_555 |
80 |
28 |
9053 |
547.6 |
-15.1 |
0.545 |
7 |
0 |
0 |
0.644 |
| Average: |
554.9 |
-15.6 |
0.504 |
7 |
0 |
0 |
0.644 |
| 5 |
22 |
|
F |
56 |
17 |
9535 |
◊ |
A |
x,y,z |
1_555 |
57 |
18 |
9088 |
514.1 |
-5.7 |
0.362 |
3 |
0 |
0 |
0.129 |
23 |
|
H |
52 |
15 |
9622 |
◊ |
I |
x,y,z |
1_555 |
55 |
17 |
9189 |
510.0 |
-5.7 |
0.347 |
4 |
0 |
0 |
0.129 |
24 |
|
B |
51 |
16 |
9744 |
◊ |
C |
x,y,z |
1_555 |
55 |
17 |
8974 |
500.0 |
-6.7 |
0.258 |
2 |
0 |
0 |
0.129 |
25 |
|
L |
49 |
17 |
9765 |
◊ |
G |
x,y,z |
1_555 |
57 |
16 |
9049 |
499.7 |
-6.3 |
0.281 |
3 |
0 |
0 |
0.129 |
26 |
|
J |
51 |
16 |
9545 |
◊ |
K |
x,y,z |
1_555 |
60 |
18 |
9177 |
495.6 |
-6.3 |
0.302 |
2 |
0 |
0 |
0.129 |
27 |
|
D |
53 |
17 |
9561 |
◊ |
E |
x,y,z |
1_555 |
55 |
17 |
9053 |
494.7 |
-7.2 |
0.228 |
4 |
0 |
0 |
0.129 |
| Average: |
502.4 |
-6.3 |
0.296 |
3 |
0 |
0 |
0.129 |
| 6 |
28 |
|
J |
56 |
18 |
9545 |
◊ |
B |
x,y,z-1 |
1_554 |
58 |
21 |
9744 |
498.7 |
-3.8 |
0.567 |
2 |
4 |
0 |
0.017 |
| 7 |
29 |
|
K |
56 |
17 |
9177 |
◊ |
E |
x,y,z |
1_555 |
57 |
18 |
9053 |
474.2 |
-2.4 |
0.679 |
4 |
0 |
0 |
0.028 |
30 |
|
I |
60 |
18 |
9189 |
◊ |
A |
x,y,z |
1_555 |
55 |
17 |
9088 |
462.8 |
-3.4 |
0.624 |
2 |
0 |
0 |
0.028 |
31 |
|
G |
54 |
17 |
9049 |
◊ |
C |
x,y,z |
1_555 |
52 |
16 |
8974 |
455.8 |
-3.3 |
0.612 |
3 |
0 |
0 |
0.028 |
| Average: |
464.2 |
-3.0 |
0.639 |
3 |
0 |
0 |
0.028 |
| 8 |
32 |
|
E |
53 |
13 |
9053 |
◊ |
I |
-x-1,y-1/2,-z-1 |
2_444 |
56 |
13 |
9189 |
473.3 |
0.8 |
0.873 |
8 |
0 |
0 |
0.006 |
| 9 |
33 |
|
[CYC]B:202 |
39 |
1 |
899 |
cf |
B |
x,y,z |
1_555 |
53 |
19 |
9744 |
456.2 |
-11.3 |
0.656 |
6 |
0 |
0 |
0.209 |
34 |
|
[CYC]H:202 |
38 |
1 |
897 |
cf |
H |
x,y,z |
1_555 |
54 |
19 |
9622 |
454.7 |
-11.1 |
0.694 |
6 |
0 |
0 |
0.209 |
35 |
|
[CYC]L:202 |
37 |
1 |
895 |
cf |
L |
x,y,z |
1_555 |
54 |
19 |
9765 |
452.1 |
-11.1 |
0.670 |
5 |
0 |
0 |
0.209 |
36 |
|
[CYC]D:202 |
38 |
1 |
902 |
cf |
D |
x,y,z |
1_555 |
61 |
19 |
9561 |
450.8 |
-10.9 |
0.742 |
6 |
0 |
0 |
0.209 |
37 |
|
[CYC]J:202 |
39 |
1 |
894 |
cf |
J |
x,y,z |
1_555 |
55 |
19 |
9545 |
449.0 |
-11.2 |
0.699 |
6 |
0 |
0 |
0.209 |
38 |
|
[CYC]F:202 |
38 |
1 |
898 |
cf |
F |
x,y,z |
1_555 |
60 |
19 |
9535 |
443.1 |
-11.1 |
0.701 |
6 |
0 |
0 |
0.209 |
| Average: |
451.0 |
-11.1 |
0.694 |
6 |
0 |
0 |
0.209 |
| 10 |
39 |
|
D |
46 |
16 |
9561 |
◊ |
L |
x-1,y,z |
1_455 |
50 |
13 |
9765 |
439.7 |
-4.8 |
0.430 |
4 |
3 |
0 |
0.022 |
| 11 |
40 |
|
F |
39 |
11 |
9535 |
◊ |
L |
x-1,y,z |
1_455 |
41 |
15 |
9765 |
371.0 |
-4.1 |
0.441 |
1 |
0 |
0 |
0.009 |
| 12 |
41 |
|
L |
28 |
11 |
9765 |
◊ |
C |
x,y,z |
1_555 |
26 |
8 |
8974 |
226.1 |
0.4 |
0.794 |
5 |
0 |
0 |
0.020 |
42 |
|
H |
28 |
10 |
9622 |
◊ |
A |
x,y,z |
1_555 |
28 |
8 |
9088 |
224.7 |
0.7 |
0.814 |
4 |
0 |
0 |
0.020 |
43 |
|
D |
25 |
10 |
9561 |
◊ |
K |
x,y,z |
1_555 |
27 |
8 |
9177 |
223.7 |
1.2 |
0.848 |
4 |
0 |
0 |
0.020 |
44 |
|
F |
26 |
10 |
9535 |
◊ |
I |
x,y,z |
1_555 |
27 |
8 |
9189 |
221.5 |
1.0 |
0.852 |
4 |
0 |
0 |
0.020 |
45 |
|
J |
24 |
11 |
9545 |
◊ |
E |
x,y,z |
1_555 |
24 |
8 |
9053 |
215.9 |
0.1 |
0.768 |
6 |
0 |
0 |
0.020 |
46 |
|
B |
24 |
10 |
9744 |
◊ |
G |
x,y,z |
1_555 |
23 |
7 |
9049 |
210.9 |
0.3 |
0.760 |
4 |
0 |
0 |
0.020 |
| Average: |
220.5 |
0.6 |
0.806 |
5 |
0 |
0 |
0.020 |
| 13 |
47 |
|
F |
20 |
9 |
9535 |
◊ |
C |
x-1,y,z-1 |
1_454 |
25 |
8 |
8974 |
224.6 |
2.7 |
0.933 |
2 |
1 |
0 |
0.000 |
| 14 |
48 |
|
D |
25 |
10 |
9561 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
22 |
9 |
9622 |
221.2 |
1.8 |
0.813 |
5 |
4 |
0 |
0.002 |
| 15 |
49 |
|
K |
27 |
6 |
9177 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
26 |
6 |
9088 |
213.7 |
1.0 |
0.836 |
4 |
0 |
0 |
0.002 |
| 16 |
50 |
|
[CYC]E:201 |
17 |
1 |
902 |
◊ |
D |
x,y,z |
1_555 |
30 |
9 |
9561 |
195.1 |
-5.2 |
0.618 |
3 |
0 |
0 |
0.097 |
51 |
|
[CYC]G:201 |
16 |
1 |
907 |
◊ |
L |
x,y,z |
1_555 |
30 |
9 |
9765 |
193.9 |
-5.3 |
0.596 |
2 |
0 |
0 |
0.097 |
52 |
|
[CYC]I:201 |
17 |
1 |
908 |
◊ |
H |
x,y,z |
1_555 |
30 |
9 |
9622 |
192.9 |
-5.3 |
0.619 |
2 |
0 |
0 |
0.097 |
53 |
|
[CYC]C:201 |
17 |
1 |
906 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
9744 |
192.4 |
-5.0 |
0.632 |
1 |
0 |
0 |
0.097 |
54 |
|
[CYC]K:201 |
17 |
1 |
899 |
◊ |
J |
x,y,z |
1_555 |
29 |
9 |
9545 |
191.9 |
-5.1 |
0.630 |
2 |
0 |
0 |
0.097 |
55 |
|
[CYC]A:201 |
18 |
1 |
909 |
◊ |
F |
x,y,z |
1_555 |
30 |
9 |
9535 |
191.0 |
-5.0 |
0.666 |
1 |
0 |
0 |
0.097 |
| Average: |
192.9 |
-5.2 |
0.627 |
2 |
0 |
0 |
0.097 |
| 17 |
56 |
|
F |
30 |
17 |
9535 |
◊ |
H |
x-1,y,z |
1_455 |
19 |
8 |
9622 |
171.2 |
0.5 |
0.784 |
2 |
2 |
0 |
0.000 |
| 18 |
57 |
|
I |
27 |
7 |
9189 |
◊ |
G |
x-1,y,z-1 |
1_454 |
24 |
7 |
9049 |
170.2 |
-0.2 |
0.700 |
1 |
0 |
0 |
0.000 |
| 19 |
58 |
|
[CYC]D:202 |
13 |
1 |
902 |
◊ |
K |
x,y,z |
1_555 |
23 |
7 |
9177 |
164.3 |
-1.6 |
0.848 |
2 |
0 |
0 |
0.030 |
59 |
|
[CYC]H:202 |
15 |
1 |
897 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
9088 |
160.2 |
-1.9 |
0.803 |
2 |
0 |
0 |
0.030 |
60 |
|
[CYC]L:202 |
15 |
1 |
895 |
◊ |
C |
x,y,z |
1_555 |
22 |
7 |
8974 |
156.3 |
-1.7 |
0.819 |
2 |
0 |
0 |
0.030 |
61 |
|
[CYC]F:202 |
15 |
1 |
898 |
◊ |
I |
x,y,z |
1_555 |
22 |
7 |
9189 |
146.1 |
-0.9 |
0.889 |
2 |
0 |
0 |
0.030 |
62 |
|
[CYC]J:202 |
15 |
1 |
894 |
◊ |
E |
x,y,z |
1_555 |
24 |
7 |
9053 |
146.1 |
-1.3 |
0.836 |
2 |
0 |
0 |
0.030 |
63 |
|
[CYC]B:202 |
15 |
1 |
899 |
◊ |
G |
x,y,z |
1_555 |
21 |
6 |
9049 |
140.2 |
-1.2 |
0.807 |
2 |
0 |
0 |
0.030 |
| Average: |
152.2 |
-1.4 |
0.834 |
2 |
0 |
0 |
0.030 |
| 20 |
64 |
|
[GOL]E:202 |
6 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
21 |
6 |
9053 |
115.2 |
-0.4 |
0.538 |
3 |
0 |
0 |
0.025 |
| 21 |
65 |
|
L |
11 |
5 |
9765 |
◊ |
H |
x,y,z |
1_555 |
13 |
4 |
9622 |
114.2 |
-1.1 |
0.415 |
2 |
0 |
0 |
0.012 |
66 |
|
F |
14 |
4 |
9535 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
9561 |
112.5 |
-0.9 |
0.436 |
1 |
0 |
0 |
0.012 |
67 |
|
F |
11 |
5 |
9535 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
9744 |
112.5 |
-0.9 |
0.442 |
1 |
0 |
0 |
0.012 |
68 |
|
J |
14 |
4 |
9545 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
9622 |
111.9 |
-1.0 |
0.410 |
1 |
0 |
0 |
0.012 |
69 |
|
L |
14 |
4 |
9765 |
◊ |
J |
x,y,z |
1_555 |
11 |
5 |
9545 |
111.9 |
-1.0 |
0.426 |
1 |
0 |
0 |
0.012 |
70 |
|
D |
13 |
4 |
9561 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
9744 |
111.3 |
-1.0 |
0.405 |
1 |
0 |
0 |
0.012 |
| Average: |
112.4 |
-1.0 |
0.423 |
1 |
0 |
0 |
0.012 |
| 22 |
71 |
|
[CYC]D:202 |
12 |
1 |
902 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
8974 |
110.2 |
-3.0 |
0.430 |
0 |
0 |
0 |
0.034 |
72 |
|
[CYC]B:202 |
13 |
1 |
899 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
9088 |
108.9 |
-2.9 |
0.427 |
0 |
0 |
0 |
0.034 |
73 |
|
[CYC]H:202 |
11 |
1 |
897 |
◊ |
G |
x,y,z |
1_555 |
14 |
4 |
9049 |
108.8 |
-2.9 |
0.454 |
0 |
0 |
0 |
0.034 |
74 |
|
[CYC]J:202 |
11 |
1 |
894 |
◊ |
I |
x,y,z |
1_555 |
12 |
4 |
9189 |
108.5 |
-2.9 |
0.393 |
0 |
0 |
0 |
0.034 |
75 |
|
[CYC]L:202 |
12 |
1 |
895 |
◊ |
K |
x,y,z |
1_555 |
12 |
4 |
9177 |
107.2 |
-2.9 |
0.384 |
0 |
0 |
0 |
0.034 |
76 |
|
[CYC]F:202 |
13 |
1 |
898 |
◊ |
E |
x,y,z |
1_555 |
12 |
4 |
9053 |
100.7 |
-2.6 |
0.442 |
0 |
0 |
0 |
0.034 |
| Average: |
107.4 |
-2.9 |
0.422 |
0 |
0 |
0 |
0.034 |
| 23 |
77 |
|
[GOL]K:202 |
6 |
1 |
217 |
f |
K |
x,y,z |
1_555 |
18 |
7 |
9177 |
108.8 |
-0.1 |
0.645 |
2 |
0 |
0 |
0.017 |
| 24 |
78 |
|
[GOL]J:204 |
6 |
1 |
218 |
f |
J |
x,y,z |
1_555 |
20 |
5 |
9545 |
102.3 |
-0.8 |
0.522 |
1 |
0 |
0 |
0.017 |
| 25 |
79 |
|
[GOL]D:204 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
9561 |
99.5 |
-0.4 |
0.561 |
4 |
0 |
0 |
0.031 |
| 26 |
80 |
|
[GOL]J:203 |
6 |
1 |
219 |
f |
J |
x,y,z |
1_555 |
17 |
7 |
9545 |
94.2 |
-0.6 |
0.579 |
3 |
0 |
0 |
0.026 |
| 27 |
81 |
|
[CYC]F:202 |
8 |
1 |
898 |
◊ |
C |
x-1,y,z-1 |
1_454 |
11 |
3 |
8974 |
91.8 |
-1.5 |
0.740 |
0 |
0 |
0 |
0.000 |
| 28 |
82 |
|
F |
10 |
6 |
9535 |
f |
[GOL]H:204 |
x-1,y,z |
1_455 |
6 |
1 |
218 |
88.2 |
-0.7 |
0.547 |
2 |
0 |
0 |
0.023 |
| 29 |
83 |
|
[GOL]H:204 |
5 |
1 |
218 |
◊ |
H |
x,y,z |
1_555 |
13 |
4 |
9622 |
86.8 |
0.3 |
0.706 |
3 |
0 |
0 |
0.000 |
| 30 |
84 |
|
[GOL]H:203 |
6 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
12 |
6 |
9622 |
85.2 |
-1.0 |
0.441 |
0 |
0 |
0 |
0.015 |
| 31 |
85 |
|
E |
9 |
3 |
9053 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
9 |
5 |
9088 |
80.9 |
0.1 |
0.679 |
1 |
0 |
0 |
0.000 |
| 32 |
86 |
|
J |
10 |
4 |
9545 |
◊ |
G |
x-1,y,z-1 |
1_454 |
8 |
4 |
9049 |
80.4 |
-0.2 |
0.649 |
1 |
0 |
0 |
0.000 |
| 33 |
87 |
|
J |
10 |
4 |
9545 |
f |
[GOL]G:202 |
x-1,y,z-1 |
1_454 |
6 |
1 |
222 |
74.8 |
-0.0 |
0.579 |
2 |
0 |
0 |
0.013 |
| 34 |
88 |
|
[GOL]B:203 |
5 |
1 |
218 |
f |
G |
x,y,z |
1_555 |
10 |
6 |
9049 |
74.6 |
-0.9 |
0.441 |
1 |
0 |
0 |
0.020 |
| 35 |
89 |
|
[GOL]D:203 |
4 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
9561 |
73.8 |
0.8 |
0.724 |
2 |
0 |
0 |
0.001 |
| 36 |
90 |
|
[GOL]G:202 |
6 |
1 |
222 |
◊ |
G |
x,y,z |
1_555 |
11 |
4 |
9049 |
71.5 |
-0.1 |
0.582 |
1 |
0 |
0 |
0.000 |
| 37 |
91 |
|
[GOL]D:203 |
5 |
1 |
218 |
f |
[CYC]D:201 |
x,y,z |
1_555 |
9 |
1 |
918 |
65.1 |
-1.2 |
0.630 |
0 |
0 |
0 |
0.017 |
| 38 |
92 |
|
E |
11 |
4 |
9053 |
◊ |
C |
x-1,y,z-1 |
1_454 |
7 |
3 |
8974 |
64.9 |
0.7 |
0.812 |
1 |
0 |
0 |
0.000 |
| 39 |
93 |
|
K |
8 |
5 |
9177 |
◊ |
I |
-x-1,y-1/2,-z-1 |
2_444 |
8 |
3 |
9189 |
62.1 |
0.3 |
0.684 |
0 |
0 |
0 |
0.000 |
| 40 |
94 |
|
[GOL]C:202 |
5 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
9561 |
59.0 |
-0.3 |
0.577 |
0 |
0 |
0 |
0.004 |
| 41 |
95 |
|
[NA]A:203 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
9088 |
56.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.074 |
96 |
|
[NA]A:203 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
9189 |
41.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.074 |
| Average: |
49.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.074 |
| 42 |
97 |
|
[GOL]B:203 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
9744 |
56.3 |
-0.5 |
0.527 |
0 |
0 |
0 |
0.002 |
| 43 |
98 |
|
[GOL]C:202 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
8974 |
55.6 |
0.2 |
0.687 |
0 |
0 |
0 |
0.000 |
| 44 |
99 |
|
[NA]B:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
9744 |
54.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.104 |
| 45 |
100 |
|
[NA]A:202 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
9088 |
52.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.108 |
101 |
|
[NA]D:205 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
10 |
3 |
9177 |
51.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.108 |
102 |
|
[NA]F:203 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
9189 |
48.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.108 |
| Average: |
50.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.108 |
| 46 |
103 |
|
C |
7 |
3 |
8974 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
6 |
2 |
9622 |
46.3 |
-0.5 |
0.463 |
0 |
0 |
0 |
0.000 |
| 47 |
104 |
|
B |
7 |
2 |
9744 |
◊ |
G |
x-1,y,z |
1_455 |
3 |
1 |
9049 |
41.5 |
0.6 |
0.808 |
1 |
0 |
0 |
0.000 |
| 48 |
105 |
|
[CYC]D:202 |
3 |
1 |
902 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
3 |
1 |
9622 |
40.9 |
-0.3 |
0.733 |
0 |
0 |
0 |
0.000 |
| 49 |
106 |
|
[NA]D:205 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
9561 |
36.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.035 |
107 |
|
[NA]F:203 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
9535 |
34.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.035 |
108 |
|
[NA]A:202 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
9622 |
31.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
34.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.035 |
| 50 |
109 |
|
J |
5 |
2 |
9545 |
◊ |
[NA]B:204 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
33.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.011 |
| 51 |
110 |
|
F |
2 |
1 |
9535 |
◊ |
J |
x-1,y,z |
1_455 |
4 |
1 |
9545 |
30.9 |
-0.9 |
0.218 |
0 |
0 |
0 |
0.000 |
| 52 |
111 |
|
J |
6 |
3 |
9545 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
2 |
9561 |
30.5 |
0.8 |
0.859 |
0 |
0 |
0 |
0.000 |
| 53 |
112 |
|
[CYC]J:202 |
4 |
1 |
894 |
◊ |
G |
x-1,y,z-1 |
1_454 |
3 |
1 |
9049 |
29.5 |
-0.3 |
0.792 |
0 |
0 |
0 |
0.000 |
| 54 |
113 |
|
J |
6 |
2 |
9545 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
2 |
8974 |
27.1 |
-0.3 |
0.580 |
0 |
0 |
0 |
0.000 |
| 55 |
114 |
|
I |
2 |
1 |
9189 |
◊ |
C |
x-1,y,z-1 |
1_454 |
4 |
2 |
8974 |
27.0 |
1.1 |
0.868 |
0 |
0 |
0 |
0.000 |
| 56 |
115 |
|
D |
2 |
1 |
9561 |
◊ |
[CYC]H:202 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
897 |
25.6 |
0.6 |
0.860 |
0 |
0 |
0 |
0.000 |
| 57 |
116 |
|
D |
5 |
2 |
9561 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
3 |
2 |
9049 |
25.1 |
0.5 |
0.694 |
0 |
0 |
0 |
0.000 |
| 58 |
117 |
|
E |
1 |
1 |
9053 |
◊ |
[GOL]G:202 |
x-1,y,z-1 |
1_454 |
1 |
1 |
222 |
23.0 |
0.7 |
0.689 |
1 |
0 |
0 |
0.000 |
| 59 |
118 |
|
[NA]D:205 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
9053 |
21.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.020 |
119 |
|
[NA]A:202 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
9189 |
20.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.020 |
120 |
|
[NA]F:203 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9088 |
20.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
20.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.020 |
| 60 |
121 |
|
[CYC]F:202 |
2 |
1 |
898 |
◊ |
G |
x-1,y,z-1 |
1_454 |
3 |
2 |
9049 |
19.9 |
-0.4 |
0.611 |
0 |
0 |
0 |
0.000 |
| 61 |
122 |
|
[CYC]J:202 |
5 |
1 |
894 |
f |
[GOL]G:202 |
x-1,y,z-1 |
1_454 |
3 |
1 |
222 |
17.7 |
-0.8 |
0.621 |
0 |
0 |
0 |
0.011 |
| 62 |
123 |
|
E |
2 |
1 |
9053 |
◊ |
G |
x-1,y,z-1 |
1_454 |
3 |
1 |
9049 |
17.6 |
0.4 |
0.803 |
0 |
0 |
0 |
0.000 |
| 63 |
124 |
|
[NA]B:204 |
1 |
1 |
125 |
◊ |
G |
x-1,y,z |
1_455 |
3 |
1 |
9049 |
16.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 64 |
125 |
|
[GOL]B:203 |
2 |
1 |
218 |
◊ |
[CYC]B:202 |
x,y,z |
1_555 |
1 |
1 |
899 |
16.2 |
-0.9 |
0.329 |
0 |
0 |
0 |
0.004 |
| 65 |
126 |
|
I |
4 |
2 |
9189 |
◊ |
[GOL]G:202 |
x-1,y,z-1 |
1_454 |
3 |
1 |
222 |
14.5 |
-0.1 |
0.517 |
0 |
0 |
0 |
0.000 |
| 66 |
127 |
|
[GOL]C:202 |
2 |
1 |
219 |
f |
[CYC]D:201 |
x,y,z |
1_555 |
1 |
1 |
918 |
13.4 |
-0.2 |
0.534 |
0 |
0 |
0 |
0.003 |
| 67 |
128 |
|
[GOL]D:204 |
2 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
8974 |
7.9 |
-0.0 |
0.502 |
0 |
0 |
0 |
0.000 |
| 68 |
129 |
|
[CYC]I:201 |
1 |
1 |
908 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
9545 |
6.5 |
-0.0 |
0.772 |
0 |
0 |
0 |
0.000 |
130 |
|
[CYC]A:201 |
1 |
1 |
909 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9744 |
6.4 |
-0.0 |
0.715 |
0 |
0 |
0 |
0.000 |
131 |
|
[CYC]K:201 |
1 |
1 |
899 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
9765 |
5.4 |
-0.0 |
0.755 |
0 |
0 |
0 |
0.000 |
132 |
|
[CYC]E:201 |
1 |
1 |
902 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
9535 |
4.4 |
-0.0 |
0.736 |
0 |
0 |
0 |
0.000 |
133 |
|
[CYC]C:201 |
1 |
1 |
906 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9561 |
4.1 |
-0.0 |
0.784 |
0 |
0 |
0 |
0.000 |
134 |
|
[CYC]G:201 |
1 |
1 |
907 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
9622 |
3.5 |
-0.0 |
0.784 |
0 |
0 |
0 |
0.000 |
| Average: |
5.1 |
-0.0 |
0.758 |
0 |
0 |
0 |
0.000 |
| 69 |
135 |
|
K |
1 |
1 |
9177 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
9744 |
4.9 |
0.1 |
0.547 |
0 |
0 |
0 |
0.000 |
| 70 |
136 |
|
[CYC]L:202 |
3 |
1 |
895 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
9088 |
4.7 |
-0.1 |
0.843 |
0 |
0 |
0 |
0.000 |
| 71 |
137 |
|
[CYC]F:201 |
1 |
1 |
918 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
9053 |
3.2 |
-0.0 |
0.783 |
0 |
0 |
0 |
0.000 |
138 |
|
[CYC]L:201 |
1 |
1 |
917 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
9177 |
1.9 |
-0.0 |
0.765 |
0 |
0 |
0 |
0.000 |
139 |
|
[CYC]B:201 |
1 |
1 |
915 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9088 |
1.1 |
-0.0 |
0.786 |
0 |
0 |
0 |
0.000 |
| Average: |
2.1 |
-0.0 |
0.778 |
0 |
0 |
0 |
0.000 |
| 72 |
140 |
|
K |
1 |
1 |
9177 |
◊ |
[CYC]B:202 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
899 |
1.6 |
-0.0 |
0.807 |
0 |
0 |
0 |
0.000 |
| 73 |
141 |
|
L |
1 |
1 |
9765 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
9088 |
1.2 |
-0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
|