NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
384322 |
1kc4   |
5024 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kc4
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 493
_Distance_constraint_stats_list.Viol_count 794
_Distance_constraint_stats_list.Viol_total 709.236
_Distance_constraint_stats_list.Viol_max 0.456
_Distance_constraint_stats_list.Viol_rms 0.0489
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0144
_Distance_constraint_stats_list.Viol_average_violations_only 0.0893
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ILE 0.234 0.079 4 0 "[ . 1]"
1 2 VAL 0.912 0.156 1 0 "[ . 1]"
1 3 CYS 2.931 0.288 1 0 "[ . 1]"
1 4 HIS 2.657 0.151 3 0 "[ . 1]"
1 5 THR 0.149 0.049 4 0 "[ . 1]"
1 6 THR 0.166 0.105 5 0 "[ . 1]"
1 7 ALA 1.443 0.191 8 0 "[ . 1]"
1 8 THR 0.499 0.155 5 0 "[ . 1]"
1 9 SER 1.578 0.192 4 0 "[ . 1]"
1 10 PRO 1.687 0.252 6 0 "[ . 1]"
1 11 ILE 2.617 0.252 6 0 "[ . 1]"
1 12 SER 0.432 0.147 2 0 "[ . 1]"
1 13 ALA 0.366 0.147 2 0 "[ . 1]"
1 14 VAL 1.560 0.424 9 0 "[ . 1]"
1 15 THR 1.590 0.424 9 0 "[ . 1]"
1 16 CYS 1.323 0.288 1 0 "[ . 1]"
1 17 PRO 0.674 0.222 6 0 "[ . 1]"
1 18 PRO 0.669 0.222 6 0 "[ . 1]"
1 19 GLY 0.041 0.023 4 0 "[ . 1]"
1 20 GLU 0.881 0.396 3 0 "[ . 1]"
1 21 ASN 1.199 0.396 3 0 "[ . 1]"
1 22 LEU 1.994 0.262 8 0 "[ . 1]"
1 23 CYS 0.334 0.147 9 0 "[ . 1]"
1 24 TYR 1.544 0.169 4 0 "[ . 1]"
1 25 ARG 0.300 0.088 1 0 "[ . 1]"
1 26 LYS 0.665 0.132 7 0 "[ . 1]"
1 27 MET 2.226 0.303 5 0 "[ . 1]"
1 28 TRP 9.837 0.456 7 0 "[ . 1]"
1 29 CYS 3.228 0.456 7 0 "[ . 1]"
1 30 ASP 0.268 0.074 2 0 "[ . 1]"
1 31 ALA 0.000 0.000 . 0 "[ . 1]"
1 32 PHE 0.121 0.075 3 0 "[ . 1]"
1 33 CYS 0.466 0.181 3 0 "[ . 1]"
1 34 SER 0.416 0.181 3 0 "[ . 1]"
1 35 SER 0.450 0.149 9 0 "[ . 1]"
1 36 ARG 0.811 0.193 1 0 "[ . 1]"
1 37 GLY 0.705 0.193 1 0 "[ . 1]"
1 38 LYS 3.225 0.420 8 0 "[ . 1]"
1 39 VAL 7.416 0.420 8 0 "[ . 1]"
1 40 VAL 1.030 0.137 4 0 "[ . 1]"
1 41 GLU 1.348 0.142 8 0 "[ . 1]"
1 42 LEU 1.294 0.142 8 0 "[ . 1]"
1 43 GLY 1.714 0.288 1 0 "[ . 1]"
1 44 CYS 2.497 0.288 1 0 "[ . 1]"
1 45 ALA 0.753 0.174 10 0 "[ . 1]"
1 46 ALA 0.762 0.311 7 0 "[ . 1]"
1 47 THR 0.928 0.311 7 0 "[ . 1]"
1 48 CYS 0.742 0.107 8 0 "[ . 1]"
1 49 PRO 1.960 0.295 5 0 "[ . 1]"
1 50 SER 1.208 0.295 5 0 "[ . 1]"
1 51 LYS 0.313 0.071 10 0 "[ . 1]"
1 52 LYS 0.062 0.054 5 0 "[ . 1]"
1 53 PRO 3.356 0.382 2 0 "[ . 1]"
1 54 TYR 0.220 0.062 7 0 "[ . 1]"
1 55 GLU 2.505 0.382 2 0 "[ . 1]"
1 56 GLU 3.346 0.365 5 0 "[ . 1]"
1 57 VAL 2.070 0.365 5 0 "[ . 1]"
1 58 THR 0.821 0.138 2 0 "[ . 1]"
1 59 CYS 0.300 0.088 1 0 "[ . 1]"
1 60 CYS 2.066 0.262 8 0 "[ . 1]"
1 61 SER 1.554 0.425 10 0 "[ . 1]"
1 62 THR 4.423 0.449 1 0 "[ . 1]"
1 63 ASP 6.441 0.449 1 0 "[ . 1]"
1 64 LYS 2.075 0.145 5 0 "[ . 1]"
1 65 CYS 2.083 0.342 10 0 "[ . 1]"
1 66 ASN 1.571 0.286 8 0 "[ . 1]"
1 67 PRO 2.221 0.286 8 0 "[ . 1]"
1 68 HIS 0.000 0.000 . 0 "[ . 1]"
1 70 LYS 0.028 0.023 6 0 "[ . 1]"
1 71 GLN 0.028 0.023 6 0 "[ . 1]"
1 72 ARG 0.017 0.014 3 0 "[ . 1]"
1 73 PRO 0.119 0.036 8 0 "[ . 1]"
1 74 GLY 0.000 0.000 . 0 "[ . 1]"
2 2 PRO 0.004 0.004 7 0 "[ . 1]"
2 3 GLY 0.004 0.004 7 0 "[ . 1]"
2 4 LYS 0.401 0.216 10 0 "[ . 1]"
2 5 ARG 0.972 0.225 8 0 "[ . 1]"
2 6 THR 0.838 0.447 6 0 "[ . 1]"
2 7 GLU 0.723 0.447 6 0 "[ . 1]"
2 8 SER 0.782 0.133 10 0 "[ . 1]"
2 9 PHE 4.711 0.385 10 0 "[ . 1]"
2 10 TYR 5.270 0.410 9 0 "[ . 1]"
2 11 GLU 5.111 0.410 9 0 "[ . 1]"
2 12 CYS 4.055 0.385 10 0 "[ . 1]"
2 13 CYS 2.619 0.329 8 0 "[ . 1]"
2 14 LYS 0.513 0.190 9 0 "[ . 1]"
2 15 GLU 0.427 0.105 8 0 "[ . 1]"
2 17 TYR 0.751 0.133 10 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ILE HA 1 1 ILE HB 3.000 . 3.000 2.537 2.446 2.725 . 0 0 "[ . 1]" 1
2 1 1 ILE HA 1 1 ILE MD 4.000 . 4.000 3.297 2.875 3.399 . 0 0 "[ . 1]" 1
3 1 1 ILE HA 1 1 ILE HG12 4.000 . 4.000 3.141 2.035 3.507 . 0 0 "[ . 1]" 1
4 1 1 ILE HA 1 1 ILE HG13 3.000 . 3.500 2.434 2.089 3.399 . 0 0 "[ . 1]" 1
5 1 1 ILE HA 1 2 VAL H 3.000 . 3.000 2.330 2.194 2.516 . 0 0 "[ . 1]" 1
6 1 1 ILE HB 1 2 VAL H 4.000 . 4.000 3.980 3.844 4.079 0.079 4 0 "[ . 1]" 1
7 1 1 ILE MD 1 1 ILE MG 4.000 . 4.000 2.445 1.819 2.733 . 0 0 "[ . 1]" 1
8 1 1 ILE MD 1 62 THR H 5.000 . 5.000 3.872 3.273 4.095 . 0 0 "[ . 1]" 1
9 1 1 ILE HG12 1 2 VAL H 3.000 . 3.000 2.689 2.132 3.027 0.027 5 0 "[ . 1]" 1
10 1 2 VAL H 1 2 VAL HA 3.000 . 3.000 2.940 2.882 2.951 . 0 0 "[ . 1]" 1
11 1 2 VAL H 1 2 VAL HB 3.000 . 3.000 2.954 2.452 3.156 0.156 1 0 "[ . 1]" 1
12 1 2 VAL H 1 63 ASP HA 3.000 . 3.000 2.871 2.366 3.099 0.099 3 0 "[ . 1]" 1
13 1 2 VAL H 1 63 ASP HB2 5.000 . 5.000 3.710 1.798 5.040 0.040 2 0 "[ . 1]" 1
14 1 2 VAL H 1 64 LYS H 4.000 . 4.000 3.691 3.090 4.031 0.031 9 0 "[ . 1]" 1
15 1 2 VAL HA 1 3 CYS H 3.000 . 3.000 2.396 2.337 2.498 . 0 0 "[ . 1]" 1
16 1 2 VAL HB 1 64 LYS H 5.000 . 5.000 4.334 2.740 5.017 0.017 10 0 "[ . 1]" 1
17 1 2 VAL MG2 1 3 CYS H 5.000 . 5.000 2.236 1.825 3.982 . 0 0 "[ . 1]" 1
18 1 2 VAL MG2 1 15 THR H 6.000 . 6.000 4.290 3.182 4.846 . 0 0 "[ . 1]" 1
19 1 2 VAL MG2 1 64 LYS H 5.000 . 5.000 3.979 3.255 4.306 . 0 0 "[ . 1]" 1
20 1 3 CYS H 1 3 CYS HB2 4.000 . 4.000 3.162 2.819 3.440 . 0 0 "[ . 1]" 1
21 1 3 CYS H 1 3 CYS HB3 4.000 . 4.000 3.337 3.037 3.673 . 0 0 "[ . 1]" 1
22 1 3 CYS H 1 4 HIS H 4.000 . 4.000 4.071 4.017 4.151 0.151 3 0 "[ . 1]" 1
23 1 3 CYS H 1 15 THR HA 4.000 . 4.500 2.980 2.243 3.795 . 0 0 "[ . 1]" 1
24 1 3 CYS HA 1 64 LYS H 4.000 . 4.000 3.436 2.536 4.079 0.079 2 0 "[ . 1]" 1
25 1 3 CYS HB3 1 16 CYS HA 4.000 . 4.000 4.040 3.327 4.288 0.288 1 0 "[ . 1]" 1
26 1 3 CYS HB3 1 44 CYS HB2 3.000 . 3.000 3.092 3.039 3.181 0.181 1 0 "[ . 1]" 1
27 1 3 CYS HB3 1 66 ASN QD 5.000 . 5.000 4.268 3.813 4.560 . 0 0 "[ . 1]" 1
28 1 4 HIS H 1 4 HIS HA 3.000 . 3.000 2.741 2.668 2.807 . 0 0 "[ . 1]" 1
29 1 4 HIS H 1 4 HIS HB2 4.000 . 4.000 2.340 2.261 2.397 . 0 0 "[ . 1]" 1
30 1 4 HIS H 1 4 HIS HB3 4.000 . 4.000 3.568 3.539 3.605 . 0 0 "[ . 1]" 1
31 1 4 HIS H 1 4 HIS HD2 4.000 . 4.000 2.712 2.427 3.058 . 0 0 "[ . 1]" 1
32 1 4 HIS H 1 64 LYS HA 3.000 . 3.000 2.792 2.174 3.064 0.064 1 0 "[ . 1]" 1
33 1 4 HIS H 1 66 ASN QD 5.000 . 5.000 2.594 1.911 4.049 . 0 0 "[ . 1]" 1
34 1 4 HIS HA 1 4 HIS HD2 4.000 . 4.000 3.985 3.575 4.144 0.144 5 0 "[ . 1]" 1
35 1 4 HIS HA 1 5 THR H 3.000 . 3.000 2.407 2.248 2.683 . 0 0 "[ . 1]" 1
36 1 4 HIS HB2 1 4 HIS HD2 4.000 . 4.000 2.818 2.712 2.957 . 0 0 "[ . 1]" 1
37 1 4 HIS HB2 1 5 THR H 4.000 . 4.000 3.833 3.461 4.048 0.048 9 0 "[ . 1]" 1
38 1 4 HIS HB3 1 4 HIS HD2 4.000 . 4.000 3.900 3.811 3.961 . 0 0 "[ . 1]" 1
39 1 4 HIS HB3 1 5 THR H 4.000 . 4.000 2.509 2.007 2.799 . 0 0 "[ . 1]" 1
40 1 4 HIS HD2 1 64 LYS H 5.000 . 5.000 5.017 4.825 5.112 0.112 4 0 "[ . 1]" 1
41 1 4 HIS HD2 1 64 LYS HA 3.000 . 3.000 2.759 2.535 2.915 . 0 0 "[ . 1]" 1
42 1 4 HIS HD2 1 66 ASN H 4.000 . 4.000 2.873 1.817 3.793 . 0 0 "[ . 1]" 1
43 1 4 HIS HD2 1 67 PRO HD2 4.000 . 4.000 4.087 4.023 4.149 0.149 7 0 "[ . 1]" 1
44 1 5 THR H 1 5 THR HA 3.000 . 3.000 2.834 2.726 2.922 . 0 0 "[ . 1]" 1
45 1 5 THR H 1 5 THR HB 4.000 . 4.000 2.863 2.590 3.677 . 0 0 "[ . 1]" 1
46 1 5 THR H 1 5 THR MG 4.000 . 4.000 2.245 1.877 3.229 . 0 0 "[ . 1]" 1
47 1 5 THR H 1 12 SER H 4.000 . 4.000 3.599 2.584 4.049 0.049 4 0 "[ . 1]" 1
48 1 5 THR MG 1 7 ALA H 4.000 . 4.000 2.489 1.932 3.479 . 0 0 "[ . 1]" 1
49 1 5 THR MG 1 12 SER H 5.000 . 5.000 2.686 1.900 4.059 . 0 0 "[ . 1]" 1
50 1 5 THR MG 1 14 VAL H 5.000 . 5.000 3.992 3.379 4.141 . 0 0 "[ . 1]" 1
51 1 6 THR H 1 6 THR HB 3.000 . 3.000 2.729 2.505 3.105 0.105 5 0 "[ . 1]" 1
52 1 6 THR MG 1 7 ALA H 5.000 . 5.000 3.354 1.909 4.180 . 0 0 "[ . 1]" 1
53 1 7 ALA H 1 7 ALA HA 3.000 . 3.000 2.448 2.288 2.924 . 0 0 "[ . 1]" 1
54 1 7 ALA H 1 8 THR H 3.000 . 3.000 2.565 1.813 3.155 0.155 5 0 "[ . 1]" 1
55 1 7 ALA HA 1 8 THR H 3.000 . 3.000 2.833 2.487 3.080 0.080 2 0 "[ . 1]" 1
56 1 7 ALA HA 2 9 PHE QD 5.000 . 5.000 3.856 3.200 4.406 . 0 0 "[ . 1]" 1
57 1 7 ALA HA 2 9 PHE QE 5.000 . 5.000 3.719 3.186 4.168 . 0 0 "[ . 1]" 1
58 1 7 ALA HA 2 9 PHE HZ 5.000 . 5.000 5.121 5.075 5.191 0.191 8 0 "[ . 1]" 1
59 1 7 ALA MB 1 8 THR H 5.000 . 5.000 3.668 3.515 3.720 . 0 0 "[ . 1]" 1
60 1 8 THR H 1 8 THR HB 4.000 . 4.000 3.392 3.250 3.681 . 0 0 "[ . 1]" 1
61 1 8 THR H 1 8 THR MG 4.000 . 4.000 3.071 1.962 3.371 . 0 0 "[ . 1]" 1
62 1 8 THR HA 1 9 SER H 3.000 . 3.500 3.385 2.227 3.544 0.044 4 0 "[ . 1]" 1
63 1 8 THR HB 1 9 SER H 3.000 . 3.000 2.894 2.459 3.042 0.042 8 0 "[ . 1]" 1
64 1 8 THR MG 1 9 SER H 5.000 . 5.000 4.044 3.671 4.191 . 0 0 "[ . 1]" 1
65 1 9 SER H 1 9 SER HB2 4.000 . 4.000 3.773 2.766 3.935 . 0 0 "[ . 1]" 1
66 1 9 SER H 1 9 SER HB3 3.000 . 3.000 3.007 2.370 3.142 0.142 5 0 "[ . 1]" 1
67 1 9 SER HA 2 9 PHE QE 4.000 . 4.000 2.116 1.608 2.606 0.192 4 0 "[ . 1]" 1
68 1 9 SER HA 2 9 PHE HZ 3.000 . 3.500 2.865 1.941 3.169 . 0 0 "[ . 1]" 1
69 1 9 SER HB2 2 9 PHE QD 5.000 . 5.000 3.843 3.308 4.385 . 0 0 "[ . 1]" 1
70 1 9 SER HB2 2 9 PHE QE 5.000 . 5.000 3.205 2.474 3.936 . 0 0 "[ . 1]" 1
71 1 9 SER HB2 2 9 PHE HZ 5.000 . 5.000 4.841 3.902 5.083 0.083 3 0 "[ . 1]" 1
72 1 10 PRO HA 1 10 PRO HB3 3.000 . 3.000 2.312 2.253 2.332 . 0 0 "[ . 1]" 1
73 1 10 PRO HA 1 11 ILE H 3.000 . 3.000 2.520 2.270 3.223 0.223 5 0 "[ . 1]" 1
74 1 10 PRO HB2 1 11 ILE H 4.000 . 4.000 4.120 4.003 4.252 0.252 6 0 "[ . 1]" 1
75 1 10 PRO HB3 1 11 ILE H 4.000 . 4.500 4.506 4.442 4.628 0.128 4 0 "[ . 1]" 1
76 1 11 ILE H 1 11 ILE HB 3.000 . 3.000 2.477 2.093 3.188 0.188 4 0 "[ . 1]" 1
77 1 11 ILE H 1 11 ILE MD 4.000 . 4.000 2.391 1.893 3.031 . 0 0 "[ . 1]" 1
78 1 11 ILE H 1 11 ILE HG13 4.000 . 4.000 3.672 2.976 3.991 . 0 0 "[ . 1]" 1
79 1 11 ILE H 2 9 PHE QE 5.000 . 5.000 4.512 3.993 4.768 . 0 0 "[ . 1]" 1
80 1 11 ILE H 2 9 PHE HZ 4.000 . 4.000 4.024 3.633 4.137 0.137 4 0 "[ . 1]" 1
81 1 11 ILE HA 1 11 ILE MD 4.000 . 4.000 2.610 1.929 3.446 . 0 0 "[ . 1]" 1
82 1 11 ILE HA 1 11 ILE HG12 4.000 . 4.000 3.384 3.035 3.578 . 0 0 "[ . 1]" 1
83 1 11 ILE HA 1 12 SER H 3.000 . 3.000 2.184 2.140 2.252 . 0 0 "[ . 1]" 1
84 1 11 ILE MD 1 68 HIS HD2 5.000 . 5.000 3.887 3.271 4.045 . 0 0 "[ . 1]" 1
85 1 11 ILE MD 2 9 PHE QD 5.000 . 5.000 3.525 3.248 4.088 . 0 0 "[ . 1]" 1
86 1 11 ILE MD 2 9 PHE QE 5.000 . 5.000 1.969 1.763 2.759 0.037 3 0 "[ . 1]" 1
87 1 11 ILE MD 2 9 PHE HZ 5.000 . 5.000 2.447 1.935 2.760 . 0 0 "[ . 1]" 1
88 1 12 SER H 1 13 ALA H 4.000 . 4.000 3.485 1.974 4.147 0.147 2 0 "[ . 1]" 1
89 1 12 SER HA 1 13 ALA H 4.000 . 4.000 3.079 2.144 3.566 . 0 0 "[ . 1]" 1
90 1 13 ALA HA 1 14 VAL H 3.000 . 3.000 2.240 2.143 2.896 . 0 0 "[ . 1]" 1
91 1 14 VAL H 1 14 VAL HA 3.000 . 3.000 2.927 2.874 2.955 . 0 0 "[ . 1]" 1
92 1 14 VAL H 1 14 VAL HB 4.000 . 4.000 3.125 2.428 3.851 . 0 0 "[ . 1]" 1
93 1 14 VAL HA 1 14 VAL HB 3.000 . 3.000 2.678 2.449 2.992 . 0 0 "[ . 1]" 1
94 1 14 VAL HA 1 15 THR H 3.000 . 3.000 2.719 2.230 2.965 . 0 0 "[ . 1]" 1
95 1 14 VAL HB 1 15 THR H 3.000 . 3.000 2.809 1.888 3.424 0.424 9 0 "[ . 1]" 1
96 1 15 THR H 1 15 THR HA 3.000 . 3.000 2.886 2.729 2.949 . 0 0 "[ . 1]" 1
97 1 15 THR H 1 15 THR HB 4.000 . 4.000 2.816 2.276 3.572 . 0 0 "[ . 1]" 1
98 1 15 THR H 1 16 CYS H 5.000 . 5.000 4.280 2.587 4.645 . 0 0 "[ . 1]" 1
99 1 15 THR HA 1 16 CYS H 3.000 . 3.000 2.440 2.132 3.030 0.030 9 0 "[ . 1]" 1
100 1 15 THR MG 1 16 CYS H 4.000 . 4.000 2.905 1.973 3.362 . 0 0 "[ . 1]" 1
101 1 16 CYS H 1 16 CYS HA 3.000 . 3.000 2.863 2.504 2.949 . 0 0 "[ . 1]" 1
102 1 16 CYS H 1 16 CYS HB2 3.000 . 3.000 2.587 2.195 3.086 0.086 3 0 "[ . 1]" 1
103 1 16 CYS H 1 16 CYS HB3 4.000 . 4.000 3.138 2.514 3.652 . 0 0 "[ . 1]" 1
104 1 16 CYS HA 1 16 CYS HB3 3.000 . 3.000 2.830 2.544 3.023 0.023 2 0 "[ . 1]" 1
105 1 16 CYS HA 1 17 PRO HD3 3.000 . 3.000 2.312 1.936 2.667 . 0 0 "[ . 1]" 1
106 1 17 PRO HA 1 17 PRO HG3 4.000 . 4.000 3.466 2.872 4.037 0.037 4 0 "[ . 1]" 1
107 1 17 PRO HA 1 18 PRO HD2 3.000 . 3.000 2.790 2.339 3.107 0.107 6 0 "[ . 1]" 1
108 1 17 PRO HA 1 18 PRO HD3 3.000 . 3.000 2.553 1.989 3.222 0.222 6 0 "[ . 1]" 1
109 1 18 PRO HA 1 18 PRO HB3 3.000 . 3.000 2.310 2.279 2.363 . 0 0 "[ . 1]" 1
110 1 18 PRO HD2 1 19 GLY H 3.000 . 3.000 2.712 1.914 3.023 0.023 4 0 "[ . 1]" 1
111 1 19 GLY HA2 1 20 GLU H 4.000 . 4.000 3.208 2.635 3.566 . 0 0 "[ . 1]" 1
112 1 19 GLY HA3 1 20 GLU H 4.000 . 4.000 2.673 2.315 3.504 . 0 0 "[ . 1]" 1
113 1 20 GLU H 1 20 GLU HA 3.000 . 3.000 2.777 2.258 2.946 . 0 0 "[ . 1]" 1
114 1 20 GLU H 1 20 GLU HG2 4.000 . 4.000 3.864 3.534 4.103 0.103 4 0 "[ . 1]" 1
115 1 20 GLU H 1 20 GLU HG3 4.000 . 4.000 3.085 2.294 4.145 0.145 10 0 "[ . 1]" 1
116 1 20 GLU HA 1 20 GLU HG3 3.000 . 3.000 2.618 2.279 3.105 0.105 10 0 "[ . 1]" 1
117 1 20 GLU HA 1 21 ASN H 3.000 . 3.000 2.408 2.177 3.396 0.396 3 0 "[ . 1]" 1
118 1 20 GLU QB 1 46 ALA H 5.000 . 5.000 4.145 3.234 4.664 . 0 0 "[ . 1]" 1
119 1 21 ASN H 1 21 ASN HA 3.000 . 3.000 2.882 2.737 2.946 . 0 0 "[ . 1]" 1
120 1 21 ASN H 1 21 ASN HB2 3.000 . 3.000 2.803 2.521 3.140 0.140 7 0 "[ . 1]" 1
121 1 21 ASN H 1 21 ASN HB3 4.000 . 4.000 3.629 3.406 3.786 . 0 0 "[ . 1]" 1
122 1 21 ASN H 1 22 LEU H 3.000 . 3.000 2.295 1.849 3.072 0.072 9 0 "[ . 1]" 1
123 1 21 ASN H 1 46 ALA HA 3.000 . 3.500 2.708 1.970 3.535 0.035 1 0 "[ . 1]" 1
124 1 21 ASN H 1 46 ALA MB 5.000 . 5.500 4.024 3.308 4.498 . 0 0 "[ . 1]" 1
125 1 21 ASN HA 1 21 ASN HB2 3.000 . 3.000 2.898 2.748 3.009 0.009 4 0 "[ . 1]" 1
126 1 21 ASN HA 1 21 ASN HB3 3.000 . 3.000 2.759 2.564 2.925 . 0 0 "[ . 1]" 1
127 1 21 ASN HA 1 21 ASN HD21 4.000 . 4.000 3.671 1.905 4.029 0.029 9 0 "[ . 1]" 1
128 1 21 ASN HA 1 22 LEU H 3.000 . 3.500 3.103 2.290 3.571 0.071 8 0 "[ . 1]" 1
129 1 21 ASN HB2 1 21 ASN HD21 3.000 . 3.000 2.571 2.115 3.063 0.063 7 0 "[ . 1]" 1
130 1 21 ASN HB2 1 21 ASN HD22 4.000 . 4.000 3.629 3.434 3.850 . 0 0 "[ . 1]" 1
131 1 21 ASN HB3 1 21 ASN HD22 4.000 . 4.000 3.765 3.444 4.070 0.070 1 0 "[ . 1]" 1
132 1 22 LEU H 1 22 LEU HB2 4.000 . 4.000 3.324 2.309 3.797 . 0 0 "[ . 1]" 1
133 1 22 LEU H 1 22 LEU HB3 4.000 . 4.000 3.412 2.807 3.915 . 0 0 "[ . 1]" 1
134 1 22 LEU H 1 22 LEU HG 3.000 . 3.500 2.463 1.728 3.579 0.079 4 0 "[ . 1]" 1
135 1 22 LEU H 1 45 ALA H 3.000 . 3.500 3.517 3.348 3.620 0.120 3 0 "[ . 1]" 1
136 1 22 LEU HA 1 22 LEU HG 4.000 . 4.000 3.543 3.284 3.691 . 0 0 "[ . 1]" 1
137 1 22 LEU HA 1 60 CYS H 4.000 . 4.500 4.493 3.780 4.696 0.196 1 0 "[ . 1]" 1
138 1 22 LEU HB2 1 60 CYS H 4.000 . 4.000 2.918 2.018 4.262 0.262 8 0 "[ . 1]" 1
139 1 22 LEU HB3 1 23 CYS H 4.000 . 4.000 3.047 1.975 3.988 . 0 0 "[ . 1]" 1
140 1 22 LEU MD1 1 47 THR HA 5.000 . 5.000 3.310 2.351 4.134 . 0 0 "[ . 1]" 1
141 1 22 LEU MD1 1 60 CYS H 5.000 . 5.000 2.908 1.757 4.073 0.043 8 0 "[ . 1]" 1
142 1 22 LEU MD2 1 47 THR H 5.000 . 5.000 3.728 3.044 4.132 . 0 0 "[ . 1]" 1
143 1 22 LEU MD2 1 47 THR HA 4.000 . 4.000 2.541 1.864 3.254 . 0 0 "[ . 1]" 1
144 1 22 LEU MD2 1 48 CYS H 4.000 . 4.000 3.147 2.994 3.263 . 0 0 "[ . 1]" 1
145 1 22 LEU MD2 1 60 CYS H 5.000 . 5.000 4.034 3.628 4.335 . 0 0 "[ . 1]" 1
146 1 22 LEU MD2 1 62 THR H 5.000 . 5.000 4.051 3.258 4.374 . 0 0 "[ . 1]" 1
147 1 23 CYS H 1 23 CYS HB2 4.000 . 4.000 2.495 2.268 2.991 . 0 0 "[ . 1]" 1
148 1 23 CYS H 1 23 CYS HB3 4.000 . 4.000 3.608 3.460 3.764 . 0 0 "[ . 1]" 1
149 1 23 CYS H 1 59 CYS HA 5.000 . 5.000 4.569 4.283 4.745 . 0 0 "[ . 1]" 1
150 1 23 CYS H 1 60 CYS H 3.000 . 3.000 2.904 2.427 3.043 0.043 9 0 "[ . 1]" 1
151 1 23 CYS HA 1 23 CYS HB3 3.000 . 3.000 2.580 2.281 2.809 . 0 0 "[ . 1]" 1
152 1 23 CYS HA 1 24 TYR H 3.000 . 3.000 2.201 2.135 2.309 . 0 0 "[ . 1]" 1
153 1 23 CYS HA 1 44 CYS HA 3.000 . 3.000 2.353 1.978 2.717 . 0 0 "[ . 1]" 1
154 1 23 CYS HA 1 45 ALA H 4.000 . 4.000 3.156 2.106 3.829 . 0 0 "[ . 1]" 1
155 1 23 CYS HB2 1 24 TYR H 4.000 . 4.500 4.343 3.884 4.533 0.033 8 0 "[ . 1]" 1
156 1 23 CYS HB2 1 60 CYS H 5.000 . 5.000 4.292 3.538 4.678 . 0 0 "[ . 1]" 1
157 1 23 CYS HB3 1 24 TYR H 4.000 . 4.000 3.508 2.636 4.039 0.039 8 0 "[ . 1]" 1
158 1 23 CYS HB3 1 66 ASN QD 5.000 . 5.000 2.237 1.653 3.008 0.147 9 0 "[ . 1]" 1
159 1 24 TYR H 1 24 TYR HA 3.000 . 3.000 2.915 2.875 2.942 . 0 0 "[ . 1]" 1
160 1 24 TYR H 1 24 TYR HB2 4.000 . 4.000 3.705 3.591 3.925 . 0 0 "[ . 1]" 1
161 1 24 TYR H 1 24 TYR HB3 3.000 . 3.000 2.761 2.483 2.991 . 0 0 "[ . 1]" 1
162 1 24 TYR H 1 43 GLY H 3.000 . 3.500 3.511 3.328 3.612 0.112 9 0 "[ . 1]" 1
163 1 24 TYR H 1 57 VAL MG1 5.000 . 5.000 4.423 4.350 4.474 . 0 0 "[ . 1]" 1
164 1 24 TYR H 1 66 ASN QD 5.000 . 5.000 3.912 2.381 4.481 . 0 0 "[ . 1]" 1
165 1 24 TYR HA 1 24 TYR HB2 3.000 . 3.000 2.373 2.305 2.432 . 0 0 "[ . 1]" 1
166 1 24 TYR HA 1 24 TYR HB3 3.000 . 3.000 2.539 2.460 2.679 . 0 0 "[ . 1]" 1
167 1 24 TYR HA 1 59 CYS HA 3.000 . 3.000 2.263 1.996 2.525 . 0 0 "[ . 1]" 1
168 1 24 TYR HA 1 60 CYS H 4.000 . 4.000 4.090 4.023 4.169 0.169 4 0 "[ . 1]" 1
169 1 24 TYR HB2 1 24 TYR QE 5.000 . 5.000 4.448 4.407 4.490 . 0 0 "[ . 1]" 1
170 1 24 TYR HB3 1 24 TYR QE 5.000 . 5.000 4.401 4.384 4.419 . 0 0 "[ . 1]" 1
171 1 24 TYR QD 1 26 LYS H 5.000 . 5.500 2.633 2.044 3.340 . 0 0 "[ . 1]" 1
172 1 24 TYR QD 1 44 CYS HA 5.000 . 5.000 3.397 2.717 3.805 . 0 0 "[ . 1]" 1
173 1 24 TYR QD 1 45 ALA H 5.000 . 5.000 2.913 2.130 3.305 . 0 0 "[ . 1]" 1
174 1 24 TYR QD 1 57 VAL MG1 4.000 . 4.000 2.015 1.758 2.349 0.042 4 0 "[ . 1]" 1
175 1 24 TYR QE 1 26 LYS H 5.000 . 5.000 2.981 2.495 3.362 . 0 0 "[ . 1]" 1
176 1 25 ARG H 1 25 ARG HB3 4.000 . 4.000 3.311 2.688 3.775 . 0 0 "[ . 1]" 1
177 1 25 ARG H 1 25 ARG QG 5.000 . 5.000 2.899 2.052 4.188 . 0 0 "[ . 1]" 1
178 1 25 ARG H 1 26 LYS H 5.000 . 5.000 3.848 3.434 4.274 . 0 0 "[ . 1]" 1
179 1 25 ARG H 1 59 CYS HA 4.000 . 4.000 3.936 3.543 4.088 0.088 1 0 "[ . 1]" 1
180 1 25 ARG HA 1 26 LYS H 3.000 . 3.500 2.207 2.133 2.308 . 0 0 "[ . 1]" 1
181 1 25 ARG HA 1 42 LEU QB 5.000 . 5.000 3.717 2.006 4.526 . 0 0 "[ . 1]" 1
182 1 25 ARG QG 1 26 LYS H 5.000 . 5.000 4.089 3.175 4.499 . 0 0 "[ . 1]" 1
183 1 26 LYS H 1 26 LYS HB2 4.000 . 4.000 2.665 2.107 3.737 . 0 0 "[ . 1]" 1
184 1 26 LYS H 1 26 LYS HB3 4.000 . 4.000 3.017 2.354 3.541 . 0 0 "[ . 1]" 1
185 1 26 LYS H 1 40 VAL HB 5.000 . 5.000 5.030 4.770 5.132 0.132 7 0 "[ . 1]" 1
186 1 26 LYS H 1 41 GLU H 4.000 . 4.500 3.407 2.745 3.992 . 0 0 "[ . 1]" 1
187 1 26 LYS H 1 42 LEU HA 5.000 . 5.000 3.308 2.598 4.047 . 0 0 "[ . 1]" 1
188 1 26 LYS HA 1 27 MET H 3.000 . 3.000 2.185 2.141 2.220 . 0 0 "[ . 1]" 1
189 1 26 LYS HA 1 57 VAL HA 3.000 . 3.500 2.654 2.448 2.917 . 0 0 "[ . 1]" 1
190 1 26 LYS HA 1 58 THR H 4.000 . 4.000 3.833 3.202 4.089 0.089 2 0 "[ . 1]" 1
191 1 27 MET H 1 27 MET HB2 4.000 . 4.000 3.500 3.200 3.862 . 0 0 "[ . 1]" 1
192 1 27 MET H 1 27 MET HB3 4.000 . 4.000 3.484 2.541 3.935 . 0 0 "[ . 1]" 1
193 1 27 MET H 1 56 GLU H 4.000 . 4.000 4.154 4.077 4.303 0.303 5 0 "[ . 1]" 1
194 1 27 MET H 1 57 VAL HA 4.000 . 4.000 4.042 3.922 4.124 0.124 6 0 "[ . 1]" 1
195 1 27 MET HA 1 27 MET HG2 4.000 . 4.000 3.599 2.747 4.109 0.109 10 0 "[ . 1]" 1
196 1 27 MET HA 1 27 MET HG3 4.000 . 4.000 3.520 3.057 4.043 0.043 9 0 "[ . 1]" 1
197 1 27 MET HA 1 28 TRP H 3.000 . 3.000 2.384 2.185 2.497 . 0 0 "[ . 1]" 1
198 1 27 MET HA 1 28 TRP HE3 4.000 . 4.000 3.384 2.882 3.890 . 0 0 "[ . 1]" 1
199 1 27 MET HA 1 40 VAL HA 4.000 . 4.000 2.645 1.794 3.147 0.006 2 0 "[ . 1]" 1
200 1 27 MET HB2 1 28 TRP H 4.000 . 4.000 2.948 2.366 3.687 . 0 0 "[ . 1]" 1
201 1 27 MET HB3 1 28 TRP H 4.000 . 4.000 3.399 2.752 4.028 0.028 3 0 "[ . 1]" 1
202 1 28 TRP H 1 28 TRP HB3 4.000 . 4.000 3.610 3.251 3.789 . 0 0 "[ . 1]" 1
203 1 28 TRP H 1 28 TRP HE3 4.000 . 4.000 3.409 2.900 4.000 . 0 0 "[ . 1]" 1
204 1 28 TRP H 1 38 LYS HB2 4.000 . 4.000 3.703 2.915 4.384 0.384 3 0 "[ . 1]" 1
205 1 28 TRP H 1 38 LYS HB3 5.000 . 5.000 4.249 2.899 5.234 0.234 9 0 "[ . 1]" 1
206 1 28 TRP H 1 38 LYS QD 6.000 . 6.000 5.181 3.383 5.479 . 0 0 "[ . 1]" 1
207 1 28 TRP H 1 38 LYS QG 5.000 . 5.000 4.070 1.683 4.473 0.117 3 0 "[ . 1]" 1
208 1 28 TRP H 1 39 VAL HB 4.000 . 4.000 4.184 3.911 4.308 0.308 2 0 "[ . 1]" 1
209 1 28 TRP H 1 39 VAL MG1 6.000 . 6.000 1.641 1.518 1.873 0.282 4 0 "[ . 1]" 1
210 1 28 TRP H 1 39 VAL MG2 4.000 . 4.000 3.175 2.817 3.449 . 0 0 "[ . 1]" 1
211 1 28 TRP HA 1 28 TRP HB2 3.000 . 3.000 2.712 2.373 3.010 0.010 4 0 "[ . 1]" 1
212 1 28 TRP HA 1 29 CYS H 3.000 . 3.000 2.855 2.106 3.456 0.456 7 0 "[ . 1]" 1
213 1 28 TRP HB2 1 28 TRP HD1 4.000 . 4.000 2.718 2.589 2.809 . 0 0 "[ . 1]" 1
214 1 28 TRP HB2 1 28 TRP HE3 4.000 . 4.000 4.045 3.972 4.119 0.119 10 0 "[ . 1]" 1
215 1 28 TRP HB3 1 28 TRP HD1 4.000 . 4.000 3.480 2.954 3.862 . 0 0 "[ . 1]" 1
216 1 28 TRP HB3 1 28 TRP HE3 4.000 . 4.000 3.067 2.465 3.828 . 0 0 "[ . 1]" 1
217 1 28 TRP HB3 1 29 CYS H 4.000 . 4.500 4.054 2.458 4.595 0.095 9 0 "[ . 1]" 1
218 1 28 TRP HD1 1 39 VAL MG1 5.000 . 5.000 2.725 2.376 3.062 . 0 0 "[ . 1]" 1
219 1 28 TRP HD1 1 39 VAL MG2 5.000 . 5.000 4.136 3.807 4.265 . 0 0 "[ . 1]" 1
220 1 28 TRP HE1 1 39 VAL MG1 6.000 . 6.000 3.276 2.982 3.493 . 0 0 "[ . 1]" 1
221 1 28 TRP HE1 1 39 VAL MG2 6.000 . 6.000 3.104 2.253 3.384 . 0 0 "[ . 1]" 1
222 1 28 TRP HE3 1 39 VAL HB 5.000 . 5.500 5.692 5.564 5.756 0.256 4 0 "[ . 1]" 1
223 1 28 TRP HE3 1 39 VAL MG2 6.000 . 6.000 3.398 2.789 4.061 . 0 0 "[ . 1]" 1
224 1 28 TRP HH2 1 39 VAL MG2 5.000 . 5.000 3.177 2.789 3.586 . 0 0 "[ . 1]" 1
225 1 28 TRP HZ2 1 39 VAL HB 5.000 . 5.000 4.478 3.893 5.031 0.031 4 0 "[ . 1]" 1
226 1 28 TRP HZ2 1 39 VAL MG1 5.000 . 5.000 4.147 3.969 4.311 . 0 0 "[ . 1]" 1
227 1 28 TRP HZ2 1 39 VAL MG2 4.000 . 4.000 2.569 2.273 2.847 . 0 0 "[ . 1]" 1
228 1 28 TRP HZ3 1 39 VAL MG1 6.000 . 6.000 4.390 4.112 4.803 . 0 0 "[ . 1]" 1
229 1 28 TRP HZ3 1 39 VAL MG2 5.000 . 5.000 3.471 2.885 4.062 . 0 0 "[ . 1]" 1
230 1 29 CYS H 1 29 CYS HB2 3.000 . 3.500 2.966 2.083 3.636 0.136 2 0 "[ . 1]" 1
231 1 29 CYS H 1 29 CYS HB3 3.000 . 3.500 3.337 2.874 3.699 0.199 3 0 "[ . 1]" 1
232 1 29 CYS HA 1 30 ASP H 3.000 . 3.500 3.522 3.461 3.574 0.074 2 0 "[ . 1]" 1
233 1 29 CYS HA 1 39 VAL MG1 6.000 . 6.000 4.611 3.820 5.291 . 0 0 "[ . 1]" 1
234 1 29 CYS HB2 1 30 ASP H 4.000 . 4.000 3.418 2.885 3.909 . 0 0 "[ . 1]" 1
235 1 29 CYS HB3 1 30 ASP H 4.000 . 4.000 2.589 2.013 3.152 . 0 0 "[ . 1]" 1
236 1 29 CYS HB3 1 33 CYS H 5.000 . 5.000 4.744 4.270 5.045 0.045 1 0 "[ . 1]" 1
237 1 30 ASP H 1 32 PHE H 6.000 . 6.000 5.309 4.662 5.942 . 0 0 "[ . 1]" 1
238 1 30 ASP H 1 38 LYS HA 5.000 . 5.000 3.583 1.817 4.884 . 0 0 "[ . 1]" 1
239 1 30 ASP H 1 39 VAL MG1 5.000 . 5.000 3.703 3.198 4.099 . 0 0 "[ . 1]" 1
240 1 30 ASP H 1 40 VAL MG1 6.000 3.800 6.000 4.917 4.719 5.099 . 0 0 "[ . 1]" 1
241 1 30 ASP HB2 1 31 ALA H 5.000 . 5.000 4.300 3.672 4.657 . 0 0 "[ . 1]" 1
242 1 30 ASP HB2 1 39 VAL MG1 6.000 . 6.000 4.977 4.845 5.099 . 0 0 "[ . 1]" 1
243 1 31 ALA H 1 32 PHE H 4.000 . 4.000 2.850 2.121 3.851 . 0 0 "[ . 1]" 1
244 1 31 ALA HA 1 32 PHE H 4.000 . 4.000 3.253 2.447 3.573 . 0 0 "[ . 1]" 1
245 1 32 PHE H 1 32 PHE HB2 4.000 . 4.000 3.548 3.100 4.075 0.075 3 0 "[ . 1]" 1
246 1 32 PHE H 1 32 PHE HB3 4.000 . 4.000 3.659 2.895 4.046 0.046 6 0 "[ . 1]" 1
247 1 32 PHE H 1 32 PHE QD 5.000 . 5.000 3.629 2.183 4.505 . 0 0 "[ . 1]" 1
248 1 32 PHE H 1 33 CYS H 4.000 . 4.000 2.931 2.020 3.755 . 0 0 "[ . 1]" 1
249 1 33 CYS H 1 33 CYS HB2 4.000 . 4.000 2.721 2.109 3.345 . 0 0 "[ . 1]" 1
250 1 33 CYS HA 1 34 SER H 3.000 . 3.000 2.811 2.208 3.181 0.181 3 0 "[ . 1]" 1
251 1 34 SER HA 1 34 SER HB2 3.000 . 3.000 2.867 2.340 3.018 0.018 9 0 "[ . 1]" 1
252 1 34 SER HA 1 34 SER HB3 3.000 . 3.000 2.673 2.318 3.006 0.006 7 0 "[ . 1]" 1
253 1 35 SER H 1 36 ARG H 4.000 . 4.000 3.492 1.974 4.149 0.149 9 0 "[ . 1]" 1
254 1 35 SER H 1 37 GLY H 4.000 . 4.000 3.819 2.969 4.102 0.102 9 0 "[ . 1]" 1
255 1 36 ARG H 1 36 ARG QG 4.000 . 4.500 4.030 3.873 4.263 . 0 0 "[ . 1]" 1
256 1 36 ARG H 1 37 GLY H 3.000 . 3.000 2.916 2.173 3.193 0.193 1 0 "[ . 1]" 1
257 1 36 ARG HA 1 36 ARG QG 4.000 . 4.000 2.709 2.108 3.147 . 0 0 "[ . 1]" 1
258 1 36 ARG QG 2 9 PHE QD 6.000 . 6.000 4.835 3.881 5.120 . 0 0 "[ . 1]" 1
259 1 36 ARG QG 2 9 PHE QE 5.000 . 5.000 4.254 3.326 4.507 . 0 0 "[ . 1]" 1
260 1 36 ARG QG 2 9 PHE HZ 5.000 . 5.000 4.745 4.667 4.812 . 0 0 "[ . 1]" 1
261 1 36 ARG QG 2 17 TYR H 6.000 . 6.000 5.447 5.238 5.675 . 0 0 "[ . 1]" 1
262 1 37 GLY H 1 37 GLY HA2 3.000 . 3.000 2.493 2.307 2.868 . 0 0 "[ . 1]" 1
263 1 37 GLY HA2 1 38 LYS H 4.000 . 4.000 3.333 2.650 3.577 . 0 0 "[ . 1]" 1
264 1 37 GLY HA3 1 38 LYS H 4.000 . 4.000 2.381 2.179 3.127 . 0 0 "[ . 1]" 1
265 1 38 LYS H 1 38 LYS HB2 4.000 . 4.000 3.365 2.458 3.938 . 0 0 "[ . 1]" 1
266 1 38 LYS H 1 38 LYS HB3 4.000 . 4.000 3.315 2.461 3.976 . 0 0 "[ . 1]" 1
267 1 38 LYS H 1 38 LYS QD 5.000 . 5.000 3.510 2.316 4.273 . 0 0 "[ . 1]" 1
268 1 38 LYS H 1 38 LYS QG 5.000 . 5.000 2.751 1.641 4.034 0.159 5 0 "[ . 1]" 1
269 1 38 LYS H 2 11 GLU HB2 4.000 . 4.000 2.589 1.958 3.743 . 0 0 "[ . 1]" 1
270 1 38 LYS H 2 11 GLU HB3 4.000 . 4.000 3.738 1.954 4.106 0.106 5 0 "[ . 1]" 1
271 1 38 LYS H 2 11 GLU QG 5.000 . 5.500 3.885 1.954 4.905 . 0 0 "[ . 1]" 1
272 1 38 LYS HA 1 39 VAL H 3.000 . 3.000 2.727 2.132 3.420 0.420 8 0 "[ . 1]" 1
273 1 38 LYS HA 1 39 VAL MG1 5.000 . 5.000 3.351 2.769 3.724 . 0 0 "[ . 1]" 1
274 1 38 LYS HB2 1 39 VAL H 4.000 . 4.500 2.805 1.907 3.849 . 0 0 "[ . 1]" 1
275 1 38 LYS HB3 1 39 VAL H 4.000 . 4.000 3.116 2.068 4.080 0.080 9 0 "[ . 1]" 1
276 1 38 LYS QD 1 39 VAL H 6.000 . 6.000 4.085 3.182 5.196 . 0 0 "[ . 1]" 1
277 1 38 LYS QG 1 39 VAL H 5.000 . 5.000 2.887 1.785 4.539 0.015 8 0 "[ . 1]" 1
278 1 39 VAL H 1 39 VAL HB 4.000 . 4.000 3.322 2.599 3.927 . 0 0 "[ . 1]" 1
279 1 39 VAL H 1 39 VAL MG1 4.000 . 4.500 2.072 1.547 2.840 0.253 9 0 "[ . 1]" 1
280 1 39 VAL HA 1 40 VAL H 3.000 . 3.500 2.932 2.153 3.533 0.033 7 0 "[ . 1]" 1
281 1 39 VAL HA 2 10 TYR QD 5.000 . 5.000 2.230 1.728 3.136 0.072 3 0 "[ . 1]" 1
282 1 39 VAL HA 2 11 GLU H 5.000 . 5.000 4.000 2.960 4.569 . 0 0 "[ . 1]" 1
283 1 39 VAL MG1 2 10 TYR QD 5.000 . 5.500 3.618 3.007 4.271 . 0 0 "[ . 1]" 1
284 1 39 VAL MG1 2 17 TYR QD 6.000 . 6.000 4.402 3.857 4.745 . 0 0 "[ . 1]" 1
285 1 39 VAL MG2 1 40 VAL H 4.000 . 4.000 2.772 2.185 3.324 . 0 0 "[ . 1]" 1
286 1 39 VAL MG2 1 41 GLU H 6.000 . 6.000 3.398 1.905 4.909 . 0 0 "[ . 1]" 1
287 1 39 VAL MG2 2 9 PHE H 5.000 . 5.000 3.983 3.688 4.114 . 0 0 "[ . 1]" 1
288 1 39 VAL MG2 2 10 TYR QD 6.000 . 6.000 3.678 3.217 4.204 . 0 0 "[ . 1]" 1
289 1 39 VAL MG2 2 17 TYR QD 6.000 . 6.000 3.624 1.819 4.735 . 0 0 "[ . 1]" 1
290 1 40 VAL H 1 40 VAL HB 4.000 . 4.000 3.868 3.678 3.998 . 0 0 "[ . 1]" 1
291 1 40 VAL H 2 10 TYR HA 4.000 . 4.500 3.966 2.714 4.637 0.137 4 0 "[ . 1]" 1
292 1 40 VAL HA 1 41 GLU H 3.000 . 3.000 2.364 2.086 2.582 . 0 0 "[ . 1]" 1
293 1 40 VAL HB 1 68 HIS HD2 5.000 . 5.000 3.826 2.851 4.910 . 0 0 "[ . 1]" 1
294 1 40 VAL MG1 1 41 GLU H 5.000 . 5.000 3.900 3.239 4.231 . 0 0 "[ . 1]" 1
295 1 40 VAL MG1 1 42 LEU H 6.000 . 6.000 5.109 5.020 5.227 . 0 0 "[ . 1]" 1
296 1 40 VAL MG1 1 68 HIS HD2 5.000 . 5.000 3.819 3.217 4.063 . 0 0 "[ . 1]" 1
297 1 40 VAL MG2 1 41 GLU H 6.000 . 6.000 3.842 2.894 4.304 . 0 0 "[ . 1]" 1
298 1 40 VAL MG2 1 68 HIS HD2 6.000 . 6.000 2.695 2.045 3.242 . 0 0 "[ . 1]" 1
299 1 40 VAL MG2 1 68 HIS HE1 6.000 . 6.000 3.801 3.282 4.693 . 0 0 "[ . 1]" 1
300 1 40 VAL MG2 2 11 GLU H 5.000 . 5.000 3.764 3.191 4.178 . 0 0 "[ . 1]" 1
301 1 41 GLU H 1 41 GLU HB2 4.000 . 4.000 2.536 2.157 3.151 . 0 0 "[ . 1]" 1
302 1 41 GLU HA 1 41 GLU HB2 3.000 . 3.000 2.983 2.940 3.022 0.022 4 0 "[ . 1]" 1
303 1 41 GLU HA 1 42 LEU H 3.000 . 3.000 2.272 2.220 2.308 . 0 0 "[ . 1]" 1
304 1 41 GLU HB2 1 42 LEU H 4.000 . 4.500 4.528 4.462 4.570 0.070 5 0 "[ . 1]" 1
305 1 41 GLU HB3 1 42 LEU H 4.000 . 4.000 4.097 4.036 4.142 0.142 8 0 "[ . 1]" 1
306 1 42 LEU HA 1 43 GLY H 3.000 . 3.000 2.362 2.112 2.583 . 0 0 "[ . 1]" 1
307 1 43 GLY H 1 43 GLY HA2 3.000 . 3.000 2.775 2.670 2.897 . 0 0 "[ . 1]" 1
308 1 43 GLY H 1 43 GLY HA3 3.000 . 3.000 2.799 2.671 2.891 . 0 0 "[ . 1]" 1
309 1 43 GLY H 1 44 CYS H 4.000 . 4.000 4.116 4.017 4.288 0.288 1 0 "[ . 1]" 1
310 1 43 GLY H 1 66 ASN QD 5.000 . 5.000 3.273 1.932 4.402 . 0 0 "[ . 1]" 1
311 1 43 GLY HA2 1 44 CYS H 3.000 . 3.500 2.574 2.174 3.114 . 0 0 "[ . 1]" 1
312 1 43 GLY HA3 1 44 CYS H 3.000 . 3.000 2.626 2.214 3.023 0.023 3 0 "[ . 1]" 1
313 1 44 CYS H 1 44 CYS HB2 4.000 . 4.000 2.745 2.049 3.952 . 0 0 "[ . 1]" 1
314 1 44 CYS H 1 44 CYS HB3 4.000 . 4.000 2.881 2.527 3.136 . 0 0 "[ . 1]" 1
315 1 44 CYS HA 1 44 CYS HB2 3.000 . 3.000 2.584 2.284 2.794 . 0 0 "[ . 1]" 1
316 1 44 CYS HA 1 45 ALA H 3.000 . 3.000 2.200 2.138 2.264 . 0 0 "[ . 1]" 1
317 1 44 CYS HB2 1 45 ALA H 4.000 . 4.500 4.176 3.008 4.533 0.033 9 0 "[ . 1]" 1
318 1 44 CYS HB3 1 45 ALA H 4.000 . 4.000 3.890 3.416 4.174 0.174 10 0 "[ . 1]" 1
319 1 45 ALA H 1 45 ALA HA 3.000 . 3.000 2.945 2.935 2.952 . 0 0 "[ . 1]" 1
320 1 45 ALA HA 1 46 ALA H 3.000 . 3.000 2.441 2.237 2.651 . 0 0 "[ . 1]" 1
321 1 45 ALA HA 1 47 THR H 4.000 . 4.500 4.251 3.880 4.541 0.041 10 0 "[ . 1]" 1
322 1 45 ALA MB 1 46 ALA H 4.000 . 4.000 2.369 1.956 2.810 . 0 0 "[ . 1]" 1
323 1 45 ALA MB 1 47 THR H 4.000 . 4.000 2.619 2.146 3.114 . 0 0 "[ . 1]" 1
324 1 46 ALA H 1 46 ALA HA 3.000 . 3.000 2.892 2.693 2.948 . 0 0 "[ . 1]" 1
325 1 46 ALA H 1 47 THR H 3.000 . 3.000 2.458 1.818 3.145 0.145 5 0 "[ . 1]" 1
326 1 46 ALA HA 1 47 THR H 4.000 . 4.000 3.342 2.692 3.564 . 0 0 "[ . 1]" 1
327 1 46 ALA MB 1 47 THR H 4.000 2.800 4.000 3.056 2.489 3.629 0.311 7 0 "[ . 1]" 1
328 1 47 THR H 1 47 THR HA 3.000 . 3.000 2.840 2.323 2.941 . 0 0 "[ . 1]" 1
329 1 47 THR H 1 47 THR HB 4.000 . 4.000 3.506 2.829 3.862 . 0 0 "[ . 1]" 1
330 1 47 THR H 1 48 CYS H 5.000 . 5.000 3.870 1.790 4.482 0.010 2 0 "[ . 1]" 1
331 1 47 THR HA 1 47 THR HB 3.000 . 3.000 2.816 2.443 3.012 0.012 2 0 "[ . 1]" 1
332 1 47 THR HA 1 48 CYS H 3.000 . 3.500 2.587 2.192 3.498 . 0 0 "[ . 1]" 1
333 1 47 THR HB 1 48 CYS H 3.000 . 3.000 2.893 2.426 3.052 0.052 2 0 "[ . 1]" 1
334 1 48 CYS H 1 48 CYS HA 3.000 . 3.000 2.763 2.268 2.942 . 0 0 "[ . 1]" 1
335 1 48 CYS H 1 49 PRO HD2 4.000 . 4.000 3.931 3.112 4.107 0.107 8 0 "[ . 1]" 1
336 1 48 CYS HA 1 48 CYS HB3 3.000 . 3.000 2.835 2.306 3.011 0.011 4 0 "[ . 1]" 1
337 1 48 CYS HA 1 49 PRO HD2 3.000 . 3.000 2.240 1.909 2.524 . 0 0 "[ . 1]" 1
338 1 49 PRO HA 1 49 PRO HG2 4.000 . 4.000 3.875 3.810 3.955 . 0 0 "[ . 1]" 1
339 1 49 PRO HA 1 49 PRO HG3 4.000 . 4.000 3.622 2.968 4.046 0.046 4 0 "[ . 1]" 1
340 1 49 PRO HA 1 50 SER H 3.000 . 3.000 2.881 2.649 3.295 0.295 5 0 "[ . 1]" 1
341 1 49 PRO QB 1 50 SER H 4.000 . 4.000 2.540 1.724 3.731 0.076 2 0 "[ . 1]" 1
342 1 49 PRO HG2 1 50 SER H 5.000 . 5.000 3.933 3.167 4.730 . 0 0 "[ . 1]" 1
343 1 49 PRO HG3 1 50 SER H 4.000 . 4.500 4.513 4.290 4.570 0.070 4 0 "[ . 1]" 1
344 1 50 SER H 1 50 SER HA 3.000 . 3.000 2.689 2.274 2.930 . 0 0 "[ . 1]" 1
345 1 50 SER HA 1 51 LYS H 3.000 . 3.000 2.213 2.147 2.346 . 0 0 "[ . 1]" 1
346 1 51 LYS H 1 51 LYS HA 3.000 . 3.000 2.804 2.725 2.904 . 0 0 "[ . 1]" 1
347 1 51 LYS H 1 51 LYS QG 5.000 . 5.000 3.065 2.516 4.209 . 0 0 "[ . 1]" 1
348 1 51 LYS H 1 53 PRO HD3 3.000 . 3.000 2.814 1.974 3.071 0.071 10 0 "[ . 1]" 1
349 1 51 LYS HA 1 52 LYS H 3.000 . 3.000 2.618 2.149 3.054 0.054 5 0 "[ . 1]" 1
350 1 52 LYS HA 1 53 PRO HD3 3.000 . 3.000 2.850 2.576 3.007 0.007 10 0 "[ . 1]" 1
351 1 52 LYS HB2 1 54 TYR QD 6.000 . 6.000 4.802 3.408 5.594 . 0 0 "[ . 1]" 1
352 1 53 PRO HA 1 53 PRO HB3 3.000 . 3.000 2.294 2.252 2.317 . 0 0 "[ . 1]" 1
353 1 53 PRO HA 1 53 PRO HG3 4.000 . 4.000 3.886 3.259 4.035 0.035 5 0 "[ . 1]" 1
354 1 53 PRO HA 1 54 TYR H 3.000 . 3.500 2.977 2.178 3.562 0.062 7 0 "[ . 1]" 1
355 1 53 PRO HB2 1 53 PRO HD3 4.000 . 4.000 3.971 3.907 4.021 0.021 3 0 "[ . 1]" 1
356 1 53 PRO HB2 1 53 PRO HG3 3.000 . 3.000 2.740 2.662 2.992 . 0 0 "[ . 1]" 1
357 1 53 PRO HB2 1 54 TYR H 5.000 . 5.000 3.462 2.749 3.914 . 0 0 "[ . 1]" 1
358 1 53 PRO HB2 1 55 GLU HA 3.000 . 3.500 3.703 3.567 3.882 0.382 2 0 "[ . 1]" 1
359 1 53 PRO HB2 1 56 GLU H 3.000 . 3.000 2.866 2.341 3.140 0.140 2 0 "[ . 1]" 1
360 1 53 PRO HB3 1 53 PRO HG2 3.000 . 3.000 2.936 2.701 2.992 . 0 0 "[ . 1]" 1
361 1 53 PRO HD3 1 53 PRO HG3 3.000 . 3.000 2.295 2.274 2.330 . 0 0 "[ . 1]" 1
362 1 53 PRO HG2 1 56 GLU H 4.000 . 4.000 3.937 3.115 4.120 0.120 5 0 "[ . 1]" 1
363 1 54 TYR H 1 55 GLU H 4.000 . 4.000 2.542 2.323 2.685 . 0 0 "[ . 1]" 1
364 1 55 GLU H 1 55 GLU HB2 4.000 . 4.000 3.584 2.901 4.094 0.094 1 0 "[ . 1]" 1
365 1 55 GLU H 1 55 GLU QG 5.000 . 5.000 3.568 2.554 4.285 . 0 0 "[ . 1]" 1
366 1 55 GLU HA 1 56 GLU H 3.000 . 3.000 2.299 2.144 3.300 0.300 2 0 "[ . 1]" 1
367 1 56 GLU HA 1 57 VAL H 3.000 . 3.000 3.001 2.166 3.365 0.365 5 0 "[ . 1]" 1
368 1 57 VAL H 1 57 VAL HB 4.000 . 4.000 2.807 2.699 3.146 . 0 0 "[ . 1]" 1
369 1 57 VAL HA 1 58 THR H 3.000 . 3.000 2.106 2.088 2.119 . 0 0 "[ . 1]" 1
370 1 57 VAL HB 1 58 THR H 4.000 . 4.000 4.068 4.014 4.138 0.138 2 0 "[ . 1]" 1
371 1 57 VAL MG1 1 58 THR H 4.000 . 4.000 2.609 2.487 2.839 . 0 0 "[ . 1]" 1
372 1 58 THR HA 1 59 CYS H 3.000 . 3.000 2.351 2.164 2.626 . 0 0 "[ . 1]" 1
373 1 59 CYS HA 1 60 CYS H 3.000 . 3.000 2.552 2.377 2.761 . 0 0 "[ . 1]" 1
374 1 60 CYS H 1 60 CYS HA 3.000 . 3.000 2.857 2.765 2.910 . 0 0 "[ . 1]" 1
375 1 61 SER H 1 61 SER HA 3.000 . 3.000 2.746 2.420 2.876 . 0 0 "[ . 1]" 1
376 1 61 SER H 1 62 THR H 4.000 . 4.000 3.991 3.124 4.210 0.210 2 0 "[ . 1]" 1
377 1 61 SER HA 1 62 THR H 3.000 . 3.000 2.570 2.165 3.425 0.425 10 0 "[ . 1]" 1
378 1 62 THR H 1 62 THR HA 3.000 . 3.000 2.661 2.243 2.886 . 0 0 "[ . 1]" 1
379 1 62 THR H 1 62 THR HB 4.000 . 4.000 3.699 3.235 4.070 0.070 2 0 "[ . 1]" 1
380 1 62 THR H 1 63 ASP H 4.000 . 4.000 4.198 4.045 4.350 0.350 9 0 "[ . 1]" 1
381 1 62 THR HA 1 63 ASP H 3.000 . 3.000 2.760 2.143 3.449 0.449 1 0 "[ . 1]" 1
382 1 62 THR HB 1 63 ASP H 3.000 . 3.000 2.271 1.753 3.236 0.236 3 0 "[ . 1]" 1
383 1 62 THR MG 1 63 ASP H 4.000 . 4.000 2.658 1.922 3.485 . 0 0 "[ . 1]" 1
384 1 63 ASP H 1 63 ASP HB2 4.000 . 4.000 3.428 2.587 4.044 0.044 1 0 "[ . 1]" 1
385 1 63 ASP H 1 63 ASP HB3 4.000 . 4.000 3.423 2.514 3.794 . 0 0 "[ . 1]" 1
386 1 63 ASP H 1 64 LYS H 4.000 . 4.000 4.008 3.667 4.145 0.145 5 0 "[ . 1]" 1
387 1 63 ASP HA 1 63 ASP HB3 3.000 . 3.000 2.490 2.217 3.009 0.009 2 0 "[ . 1]" 1
388 1 63 ASP HA 1 64 LYS H 3.000 . 3.000 2.598 2.023 3.093 0.093 6 0 "[ . 1]" 1
389 1 63 ASP HA 1 65 CYS H 4.000 . 4.000 4.200 4.038 4.342 0.342 10 0 "[ . 1]" 1
390 1 63 ASP HB2 1 64 LYS H 4.000 . 4.000 2.863 1.805 4.028 0.028 9 0 "[ . 1]" 1
391 1 63 ASP HB3 1 64 LYS H 4.000 . 4.000 3.230 1.929 4.107 0.107 8 0 "[ . 1]" 1
392 1 64 LYS H 1 64 LYS HA 3.000 . 3.000 2.624 2.289 2.823 . 0 0 "[ . 1]" 1
393 1 64 LYS H 1 65 CYS H 4.000 . 4.000 3.549 3.072 3.800 . 0 0 "[ . 1]" 1
394 1 64 LYS HA 1 65 CYS H 3.000 . 3.000 2.565 2.422 2.822 . 0 0 "[ . 1]" 1
395 1 64 LYS HA 1 66 ASN H 4.000 . 4.000 3.148 2.968 3.539 . 0 0 "[ . 1]" 1
396 1 65 CYS H 1 65 CYS HA 3.000 . 3.000 2.920 2.902 2.947 . 0 0 "[ . 1]" 1
397 1 65 CYS H 1 65 CYS HB2 3.000 . 3.000 2.802 2.286 3.024 0.024 6 0 "[ . 1]" 1
398 1 65 CYS H 1 65 CYS HB3 3.000 . 3.000 2.500 2.192 2.905 . 0 0 "[ . 1]" 1
399 1 65 CYS H 1 66 ASN H 3.000 . 3.000 2.603 2.226 3.035 0.035 2 0 "[ . 1]" 1
400 1 66 ASN H 1 66 ASN HA 3.000 . 3.000 2.911 2.864 2.942 . 0 0 "[ . 1]" 1
401 1 66 ASN H 1 66 ASN HB2 4.000 . 4.000 3.466 2.136 4.027 0.027 4 0 "[ . 1]" 1
402 1 66 ASN H 1 66 ASN HB3 4.000 . 4.000 3.053 2.639 3.338 . 0 0 "[ . 1]" 1
403 1 66 ASN H 1 67 PRO HD2 5.000 . 5.000 2.824 2.403 3.102 . 0 0 "[ . 1]" 1
404 1 66 ASN HA 1 67 PRO HD2 4.000 . 4.000 3.232 2.512 3.779 . 0 0 "[ . 1]" 1
405 1 66 ASN HA 1 67 PRO HD3 3.000 . 3.500 3.624 3.394 3.786 0.286 8 0 "[ . 1]" 1
406 1 70 LYS H 1 70 LYS HA 3.000 . 3.000 2.653 2.272 2.948 . 0 0 "[ . 1]" 1
407 1 70 LYS H 1 70 LYS HB2 4.000 . 4.000 3.146 2.285 3.844 . 0 0 "[ . 1]" 1
408 1 70 LYS H 1 71 GLN H 4.000 . 4.000 3.406 2.572 4.023 0.023 6 0 "[ . 1]" 1
409 1 70 LYS HA 1 71 GLN H 4.000 . 4.000 2.654 2.150 3.579 . 0 0 "[ . 1]" 1
410 1 71 GLN HA 1 72 ARG H 4.000 . 4.000 2.706 2.144 3.548 . 0 0 "[ . 1]" 1
411 1 72 ARG H 1 72 ARG HB3 4.000 . 4.000 3.177 2.650 4.003 0.003 5 0 "[ . 1]" 1
412 1 72 ARG HA 1 73 PRO HD2 3.000 . 3.000 2.209 1.912 2.645 . 0 0 "[ . 1]" 1
413 1 72 ARG HA 1 73 PRO HD3 3.000 . 3.000 2.522 1.989 3.014 0.014 3 0 "[ . 1]" 1
414 1 73 PRO HA 1 74 GLY H 3.000 . 3.000 2.354 2.158 2.756 . 0 0 "[ . 1]" 1
415 1 73 PRO HB3 1 73 PRO HD3 4.000 . 4.000 3.302 2.961 4.036 0.036 8 0 "[ . 1]" 1
416 1 74 GLY H 1 74 GLY HA2 3.000 . 3.000 2.625 2.310 2.957 . 0 0 "[ . 1]" 1
417 2 2 PRO HA 2 3 GLY H 3.000 . 3.000 2.462 2.151 2.735 . 0 0 "[ . 1]" 1
418 2 2 PRO HB3 2 3 GLY H 4.000 . 4.000 3.229 2.445 4.004 0.004 7 0 "[ . 1]" 1
419 2 3 GLY H 2 4 LYS H 4.000 . 4.000 3.059 2.002 3.934 . 0 0 "[ . 1]" 1
420 2 3 GLY QA 2 4 LYS H 4.000 . 4.000 2.522 2.113 2.868 . 0 0 "[ . 1]" 1
421 2 4 LYS H 2 4 LYS HA 3.000 . 3.000 2.715 2.266 2.920 . 0 0 "[ . 1]" 1
422 2 4 LYS H 2 4 LYS HB2 3.000 . 3.000 2.695 2.128 3.051 0.051 3 0 "[ . 1]" 1
423 2 4 LYS H 2 4 LYS HB3 4.000 . 4.000 3.765 3.400 3.976 . 0 0 "[ . 1]" 1
424 2 4 LYS H 2 4 LYS QG 4.000 . 4.000 3.220 2.548 3.634 . 0 0 "[ . 1]" 1
425 2 4 LYS H 2 5 ARG H 4.000 . 4.000 3.732 2.834 4.216 0.216 10 0 "[ . 1]" 1
426 2 4 LYS HA 2 5 ARG H 3.000 . 3.000 2.499 2.147 3.021 0.021 7 0 "[ . 1]" 1
427 2 5 ARG H 2 5 ARG HA 3.000 . 3.000 2.687 2.265 2.948 . 0 0 "[ . 1]" 1
428 2 5 ARG H 2 5 ARG HB2 3.000 . 3.000 2.867 2.306 3.225 0.225 8 0 "[ . 1]" 1
429 2 5 ARG H 2 5 ARG HB3 4.000 . 4.000 3.449 1.970 4.023 0.023 4 0 "[ . 1]" 1
430 2 5 ARG H 2 5 ARG QD 5.000 . 5.000 4.123 3.577 4.533 . 0 0 "[ . 1]" 1
431 2 5 ARG H 2 5 ARG QG 4.000 . 4.000 3.025 2.482 3.631 . 0 0 "[ . 1]" 1
432 2 5 ARG HA 2 6 THR H 3.000 . 3.000 2.525 2.150 3.002 0.002 6 0 "[ . 1]" 1
433 2 5 ARG QB 2 5 ARG HE 5.000 . 5.000 3.399 2.370 4.346 . 0 0 "[ . 1]" 1
434 2 6 THR H 2 6 THR HA 3.000 . 3.000 2.913 2.872 2.947 . 0 0 "[ . 1]" 1
435 2 6 THR H 2 6 THR HB 3.000 . 3.000 2.847 2.481 3.108 0.108 6 0 "[ . 1]" 1
436 2 6 THR H 2 7 GLU H 3.000 . 3.000 2.853 2.575 3.133 0.133 7 0 "[ . 1]" 1
437 2 6 THR HA 2 6 THR MG 3.000 . 3.000 2.334 2.163 2.454 . 0 0 "[ . 1]" 1
438 2 6 THR HA 2 7 GLU H 3.000 . 3.000 2.729 2.428 3.447 0.447 6 0 "[ . 1]" 1
439 2 6 THR MG 2 7 GLU H 5.000 . 5.000 3.939 3.533 4.181 . 0 0 "[ . 1]" 1
440 2 7 GLU H 2 7 GLU HA 3.000 . 3.000 2.699 2.297 2.947 . 0 0 "[ . 1]" 1
441 2 7 GLU H 2 7 GLU QG 5.000 . 5.000 2.856 2.049 4.189 . 0 0 "[ . 1]" 1
442 2 8 SER H 2 9 PHE H 5.000 . 5.000 4.254 4.143 4.463 . 0 0 "[ . 1]" 1
443 2 8 SER H 2 17 TYR H 4.000 . 4.500 4.498 3.831 4.633 0.133 10 0 "[ . 1]" 1
444 2 8 SER HA 2 9 PHE H 3.000 . 3.000 2.875 2.472 3.042 0.042 10 0 "[ . 1]" 1
445 2 9 PHE H 2 9 PHE HB2 4.000 . 4.000 2.974 2.698 3.293 . 0 0 "[ . 1]" 1
446 2 9 PHE H 2 9 PHE HB3 4.000 . 4.000 2.766 2.448 3.046 . 0 0 "[ . 1]" 1
447 2 9 PHE H 2 9 PHE QD 5.000 . 5.000 4.349 4.207 4.511 . 0 0 "[ . 1]" 1
448 2 9 PHE HA 2 10 TYR H 3.000 . 3.000 2.296 2.139 2.418 . 0 0 "[ . 1]" 1
449 2 9 PHE HA 2 10 TYR QD 6.000 . 6.000 4.818 4.300 5.125 . 0 0 "[ . 1]" 1
450 2 9 PHE HA 2 17 TYR H 5.000 . 5.000 3.920 2.416 5.045 0.045 4 0 "[ . 1]" 1
451 2 9 PHE QD 2 10 TYR H 6.000 . 6.000 2.901 2.013 4.173 . 0 0 "[ . 1]" 1
452 2 9 PHE QD 2 12 CYS HA 4.000 . 4.000 4.173 3.689 4.385 0.385 10 0 "[ . 1]" 1
453 2 9 PHE QE 2 12 CYS HA 5.000 . 5.000 2.433 1.940 2.773 . 0 0 "[ . 1]" 1
454 2 10 TYR H 2 10 TYR HB2 4.000 . 4.000 2.401 2.093 2.712 . 0 0 "[ . 1]" 1
455 2 10 TYR H 2 10 TYR HB3 4.000 . 4.000 3.273 3.163 3.494 . 0 0 "[ . 1]" 1
456 2 10 TYR H 2 10 TYR QD 5.000 . 5.000 3.923 3.590 4.212 . 0 0 "[ . 1]" 1
457 2 10 TYR H 2 11 GLU H 4.000 . 4.000 3.655 2.503 4.093 0.093 1 0 "[ . 1]" 1
458 2 10 TYR HA 2 11 GLU H 3.000 . 3.000 3.164 3.004 3.410 0.410 9 0 "[ . 1]" 1
459 2 10 TYR HA 2 12 CYS H 4.000 . 4.300 4.483 4.423 4.618 0.318 9 0 "[ . 1]" 1
460 2 10 TYR HB2 2 11 GLU H 4.000 . 4.000 3.236 2.555 4.097 0.097 4 0 "[ . 1]" 1
461 2 10 TYR HB2 2 12 CYS H 4.000 . 4.500 3.927 3.605 4.223 . 0 0 "[ . 1]" 1
462 2 10 TYR HB3 2 11 GLU H 4.000 . 4.000 1.990 1.616 3.996 0.184 8 0 "[ . 1]" 1
463 2 10 TYR HB3 2 12 CYS H 4.000 . 4.000 3.282 2.762 4.072 0.072 4 0 "[ . 1]" 1
464 2 10 TYR QD 2 11 GLU H 6.000 . 6.000 3.233 2.061 4.678 . 0 0 "[ . 1]" 1
465 2 10 TYR QD 2 17 TYR H 6.000 . 6.000 4.121 3.206 5.217 . 0 0 "[ . 1]" 1
466 2 10 TYR QD 2 17 TYR QD 5.000 . 5.500 2.859 2.491 3.424 . 0 0 "[ . 1]" 1
467 2 10 TYR QD 2 17 TYR QE 5.000 . 5.000 3.517 2.681 4.168 . 0 0 "[ . 1]" 1
468 2 11 GLU H 2 11 GLU HB2 4.000 . 4.000 2.838 2.115 3.649 . 0 0 "[ . 1]" 1
469 2 11 GLU H 2 11 GLU HB3 4.000 . 4.000 2.737 2.305 3.616 . 0 0 "[ . 1]" 1
470 2 11 GLU H 2 11 GLU QG 5.000 . 5.000 3.957 3.256 4.300 . 0 0 "[ . 1]" 1
471 2 11 GLU H 2 12 CYS H 3.000 . 3.000 2.425 1.754 2.800 0.046 5 0 "[ . 1]" 1
472 2 11 GLU H 2 13 CYS H 4.000 . 4.000 4.152 3.451 4.329 0.329 8 0 "[ . 1]" 1
473 2 11 GLU HB3 2 12 CYS H 4.000 . 4.000 3.472 3.185 4.021 0.021 5 0 "[ . 1]" 1
474 2 12 CYS H 2 12 CYS HA 3.000 . 3.000 2.769 2.675 2.891 . 0 0 "[ . 1]" 1
475 2 12 CYS H 2 13 CYS H 3.000 . 3.000 2.381 1.977 3.003 0.003 9 0 "[ . 1]" 1
476 2 13 CYS H 2 13 CYS HA 3.000 . 3.000 2.918 2.897 2.939 . 0 0 "[ . 1]" 1
477 2 13 CYS H 2 13 CYS HB2 4.000 . 4.000 3.224 2.875 3.696 . 0 0 "[ . 1]" 1
478 2 13 CYS H 2 13 CYS HB3 4.000 . 4.000 3.808 3.543 3.926 . 0 0 "[ . 1]" 1
479 2 13 CYS H 2 14 LYS H 4.000 . 4.500 2.693 2.045 4.458 . 0 0 "[ . 1]" 1
480 2 13 CYS HA 2 14 LYS H 3.000 . 3.000 2.927 2.304 3.190 0.190 9 0 "[ . 1]" 1
481 2 13 CYS HA 2 15 GLU H 4.000 . 4.300 3.514 2.944 4.363 0.063 5 0 "[ . 1]" 1
482 2 13 CYS HB2 2 15 GLU H 5.000 . 5.000 4.293 2.012 5.051 0.051 1 0 "[ . 1]" 1
483 2 14 LYS H 2 14 LYS HA 3.000 . 3.000 2.914 2.889 2.924 . 0 0 "[ . 1]" 1
484 2 14 LYS H 2 14 LYS QG 5.000 . 5.000 3.577 2.903 4.087 . 0 0 "[ . 1]" 1
485 2 14 LYS H 2 15 GLU H 3.000 . 3.500 3.020 2.414 3.593 0.093 9 0 "[ . 1]" 1
486 2 14 LYS HA 2 15 GLU H 4.000 . 4.000 2.842 2.455 3.248 . 0 0 "[ . 1]" 1
487 2 14 LYS QB 2 15 GLU H 5.000 . 5.000 3.808 3.424 3.977 . 0 0 "[ . 1]" 1
488 2 15 GLU H 2 15 GLU HA 3.000 . 3.000 2.447 2.277 2.918 . 0 0 "[ . 1]" 1
489 2 15 GLU H 2 15 GLU HB2 4.000 . 4.000 3.413 2.223 3.845 . 0 0 "[ . 1]" 1
490 2 15 GLU H 2 15 GLU HB3 4.000 . 4.000 3.892 3.518 4.105 0.105 8 0 "[ . 1]" 1
491 2 15 GLU H 2 15 GLU HG2 4.000 . 4.000 2.881 2.554 3.330 . 0 0 "[ . 1]" 1
492 2 15 GLU H 2 15 GLU HG3 4.000 . 4.000 3.323 2.456 3.945 . 0 0 "[ . 1]" 1
493 2 15 GLU HA 2 15 GLU HG2 4.000 . 4.000 2.627 2.055 3.213 . 0 0 "[ . 1]" 1
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