NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
433803 |
2jve   |
15477 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jve
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 988
_Distance_constraint_stats_list.Viol_count 1772
_Distance_constraint_stats_list.Viol_total 2888.662
_Distance_constraint_stats_list.Viol_max 0.435
_Distance_constraint_stats_list.Viol_rms 0.0336
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0815
_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 21 MET 0.838 0.181 2 0 "[ . 1 . 2]"
1 22 ALA 0.408 0.108 11 0 "[ . 1 . 2]"
1 23 LEU 1.441 0.115 4 0 "[ . 1 . 2]"
1 24 LYS 5.132 0.206 13 0 "[ . 1 . 2]"
1 25 CYS 0.502 0.057 15 0 "[ . 1 . 2]"
1 26 PHE 0.288 0.043 12 0 "[ . 1 . 2]"
1 27 THR 0.201 0.046 1 0 "[ . 1 . 2]"
1 28 ARG 0.897 0.122 12 0 "[ . 1 . 2]"
1 29 ASN 0.002 0.002 1 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASP 0.037 0.013 2 0 "[ . 1 . 2]"
1 32 ASP 0.037 0.013 2 0 "[ . 1 . 2]"
1 33 ARG 1.211 0.192 2 0 "[ . 1 . 2]"
1 34 THR 0.686 0.192 2 0 "[ . 1 . 2]"
1 35 VAL 1.771 0.169 3 0 "[ . 1 . 2]"
1 36 THR 2.163 0.264 7 0 "[ . 1 . 2]"
1 37 THR 2.813 0.264 7 0 "[ . 1 . 2]"
1 38 CYS 3.508 0.192 12 0 "[ . 1 . 2]"
1 39 ALA 1.021 0.197 10 0 "[ . 1 . 2]"
1 40 GLU 1.889 0.197 10 0 "[ . 1 . 2]"
1 41 GLU 5.250 0.364 10 0 "[ . 1 . 2]"
1 42 GLN 8.211 0.304 1 0 "[ . 1 . 2]"
1 43 THR 0.332 0.087 4 0 "[ . 1 . 2]"
1 44 ARG 6.838 0.237 15 0 "[ . 1 . 2]"
1 45 CYS 7.339 0.364 11 0 "[ . 1 . 2]"
1 46 LEU 7.054 0.219 8 0 "[ . 1 . 2]"
1 47 PHE 4.613 0.162 14 0 "[ . 1 . 2]"
1 48 VAL 4.126 0.219 8 0 "[ . 1 . 2]"
1 49 GLN 9.286 0.229 12 0 "[ . 1 . 2]"
1 50 LEU 4.373 0.194 2 0 "[ . 1 . 2]"
1 51 PRO 0.682 0.058 16 0 "[ . 1 . 2]"
1 52 TYR 0.161 0.025 14 0 "[ . 1 . 2]"
1 53 SER 0.500 0.146 13 0 "[ . 1 . 2]"
1 54 GLU 1.580 0.151 9 0 "[ . 1 . 2]"
1 55 ILE 5.094 0.164 9 0 "[ . 1 . 2]"
1 56 GLN 1.550 0.128 6 0 "[ . 1 . 2]"
1 57 GLU 4.326 0.196 9 0 "[ . 1 . 2]"
1 58 CYS 5.283 0.236 12 0 "[ . 1 . 2]"
1 59 LYS 5.255 0.216 15 0 "[ . 1 . 2]"
1 60 THR 5.096 0.304 1 0 "[ . 1 . 2]"
1 61 VAL 6.083 0.364 11 0 "[ . 1 . 2]"
1 62 GLN 4.192 0.411 5 0 "[ . 1 . 2]"
1 63 GLN 2.802 0.181 18 0 "[ . 1 . 2]"
1 64 CYS 9.617 0.357 13 0 "[ . 1 . 2]"
1 65 ALA 0.206 0.089 1 0 "[ . 1 . 2]"
1 66 GLU 5.259 0.209 3 0 "[ . 1 . 2]"
1 67 VAL 27.202 0.435 1 0 "[ . 1 . 2]"
1 68 LEU 5.026 0.210 11 0 "[ . 1 . 2]"
1 69 GLU 6.245 0.246 13 0 "[ . 1 . 2]"
1 70 GLU 18.577 0.334 19 0 "[ . 1 . 2]"
1 71 VAL 3.277 0.210 11 0 "[ . 1 . 2]"
1 72 THR 4.382 0.170 1 0 "[ . 1 . 2]"
1 73 ALA 0.016 0.008 9 0 "[ . 1 . 2]"
1 74 ILE 1.214 0.072 10 0 "[ . 1 . 2]"
1 75 GLY 0.104 0.022 18 0 "[ . 1 . 2]"
1 76 TYR 2.034 0.127 13 0 "[ . 1 . 2]"
1 77 PRO 5.832 0.185 9 0 "[ . 1 . 2]"
1 78 ALA 2.865 0.165 4 0 "[ . 1 . 2]"
1 79 LYS 4.548 0.270 16 0 "[ . 1 . 2]"
1 80 CYS 5.491 0.237 15 0 "[ . 1 . 2]"
1 81 CYS 2.849 0.227 8 0 "[ . 1 . 2]"
1 82 CYS 1.119 0.161 12 0 "[ . 1 . 2]"
1 83 GLU 0.786 0.088 14 0 "[ . 1 . 2]"
1 84 ASP 7.135 0.257 8 0 "[ . 1 . 2]"
1 85 LEU 7.271 0.257 8 0 "[ . 1 . 2]"
1 86 CYS 1.408 0.117 12 0 "[ . 1 . 2]"
1 87 ASN 1.416 0.169 8 0 "[ . 1 . 2]"
1 88 ARG 0.579 0.091 11 0 "[ . 1 . 2]"
1 89 SER 0.542 0.091 11 0 "[ . 1 . 2]"
1 90 GLU 0.941 0.109 5 0 "[ . 1 . 2]"
1 91 GLN 0.181 0.083 13 0 "[ . 1 . 2]"
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 21 MET HA 1 21 MET HG3 3.000 . 3.500 2.981 2.488 3.681 0.181 2 0 "[ . 1 . 2]" 1
2 1 21 MET HA 1 21 MET HG2 4.000 . 5.000 3.473 2.504 3.795 . 0 0 "[ . 1 . 2]" 1
3 1 21 MET H 1 21 MET HB3 4.000 . 5.000 3.367 2.432 4.198 . 0 0 "[ . 1 . 2]" 1
4 1 22 ALA H 1 22 ALA HA 3.000 . 3.500 2.679 2.251 2.926 . 0 0 "[ . 1 . 2]" 1
5 1 22 ALA H 1 22 ALA MB 3.000 . 3.500 2.464 2.199 3.013 . 0 0 "[ . 1 . 2]" 1
6 1 23 LEU H 1 23 LEU HA 3.000 . 3.500 2.933 2.892 2.948 . 0 0 "[ . 1 . 2]" 1
7 1 23 LEU H 1 23 LEU HB2 3.000 . 3.500 2.916 2.149 3.253 . 0 0 "[ . 1 . 2]" 1
8 1 23 LEU H 1 23 LEU QD 4.500 . 5.500 3.746 2.669 4.029 . 0 0 "[ . 1 . 2]" 1
9 1 23 LEU HA 1 23 LEU MD1 3.000 . 3.500 2.002 1.861 2.087 . 0 0 "[ . 1 . 2]" 1
10 1 23 LEU HA 1 23 LEU HG 4.000 . 5.000 3.156 2.946 3.656 . 0 0 "[ . 1 . 2]" 1
11 1 24 LYS HA 1 24 LYS QB 2.500 . 3.000 2.351 2.302 2.462 . 0 0 "[ . 1 . 2]" 1
12 1 24 LYS HA 1 24 LYS QD 4.000 . 5.000 4.095 3.939 4.209 . 0 0 "[ . 1 . 2]" 1
13 1 24 LYS HA 1 24 LYS HG3 4.000 . 5.000 3.023 2.286 3.393 . 0 0 "[ . 1 . 2]" 1
14 1 24 LYS HA 1 24 LYS HG2 3.500 . 4.000 2.656 2.449 3.365 . 0 0 "[ . 1 . 2]" 1
15 1 24 LYS QB 1 24 LYS QD 2.500 . 3.000 2.283 2.067 2.369 . 0 0 "[ . 1 . 2]" 1
16 1 24 LYS QB 1 24 LYS QE 2.500 . 3.000 2.155 1.797 3.148 0.148 8 0 "[ . 1 . 2]" 1
17 1 24 LYS QE 1 24 LYS HG3 3.500 . 4.000 2.984 2.295 3.540 . 0 0 "[ . 1 . 2]" 1
18 1 24 LYS QE 1 24 LYS HG2 3.500 . 4.000 3.175 2.149 3.533 . 0 0 "[ . 1 . 2]" 1
19 1 24 LYS H 1 24 LYS QB 3.000 . 3.500 2.447 2.335 2.559 . 0 0 "[ . 1 . 2]" 1
20 1 24 LYS H 1 24 LYS QD 3.500 . 4.000 4.068 3.579 4.206 0.206 13 0 "[ . 1 . 2]" 1
21 1 25 CYS H 1 25 CYS HB3 4.000 . 5.000 3.701 2.762 3.874 . 0 0 "[ . 1 . 2]" 1
22 1 25 CYS H 1 25 CYS HB2 4.000 . 5.000 2.784 2.452 3.091 . 0 0 "[ . 1 . 2]" 1
23 1 26 PHE H 1 26 PHE HA 3.000 . 3.500 2.880 2.668 2.930 . 0 0 "[ . 1 . 2]" 1
24 1 26 PHE H 1 26 PHE HB3 4.000 . 5.000 3.605 3.491 3.690 . 0 0 "[ . 1 . 2]" 1
25 1 26 PHE H 1 26 PHE HB2 4.000 . 5.000 2.394 2.209 2.544 . 0 0 "[ . 1 . 2]" 1
26 1 26 PHE H 1 26 PHE QD 4.500 . 5.500 2.911 2.476 3.543 . 0 0 "[ . 1 . 2]" 1
27 1 26 PHE HA 1 26 PHE QD 4.000 . 5.000 2.635 2.045 3.083 . 0 0 "[ . 1 . 2]" 1
28 1 27 THR HA 1 27 THR MG 3.500 . 4.000 2.335 2.176 2.408 . 0 0 "[ . 1 . 2]" 1
29 1 27 THR H 1 27 THR HB 4.000 . 5.000 2.903 2.558 3.633 . 0 0 "[ . 1 . 2]" 1
30 1 27 THR H 1 27 THR MG 4.500 . 5.500 3.647 2.686 3.907 . 0 0 "[ . 1 . 2]" 1
31 1 28 ARG H 1 28 ARG HB3 3.500 . 4.000 3.031 2.396 3.718 . 0 0 "[ . 1 . 2]" 1
32 1 28 ARG H 1 28 ARG HB2 3.000 . 3.500 2.605 2.283 3.065 . 0 0 "[ . 1 . 2]" 1
33 1 28 ARG H 1 28 ARG QG 4.000 . 5.000 3.618 2.314 4.148 . 0 0 "[ . 1 . 2]" 1
34 1 28 ARG HA 1 28 ARG QD 3.500 . 4.000 3.098 1.915 4.122 0.122 12 0 "[ . 1 . 2]" 1
35 1 28 ARG HA 1 28 ARG QG 3.500 . 4.000 2.531 2.150 2.954 . 0 0 "[ . 1 . 2]" 1
36 1 28 ARG HB3 1 28 ARG QD 3.500 . 4.000 2.811 2.149 3.407 . 0 0 "[ . 1 . 2]" 1
37 1 29 ASN HB3 1 29 ASN HD22 4.000 . 5.000 3.769 3.453 4.095 . 0 0 "[ . 1 . 2]" 1
38 1 29 ASN H 1 29 ASN HB3 4.000 . 5.000 3.047 2.381 3.811 . 0 0 "[ . 1 . 2]" 1
39 1 29 ASN HB2 1 29 ASN HD22 4.000 . 5.000 3.689 3.438 4.050 . 0 0 "[ . 1 . 2]" 1
40 1 29 ASN H 1 29 ASN HB2 4.000 . 5.000 3.054 2.464 3.967 . 0 0 "[ . 1 . 2]" 1
41 1 31 ASP H 1 31 ASP HA 3.000 . 3.500 2.830 2.241 2.935 . 0 0 "[ . 1 . 2]" 1
42 1 31 ASP H 1 31 ASP HB3 4.000 . 5.000 3.074 2.806 3.924 . 0 0 "[ . 1 . 2]" 1
43 1 31 ASP H 1 31 ASP HB2 4.000 . 5.000 3.357 2.341 3.682 . 0 0 "[ . 1 . 2]" 1
44 1 32 ASP H 1 32 ASP HA 3.000 . 3.500 2.816 2.675 2.947 . 0 0 "[ . 1 . 2]" 1
45 1 32 ASP H 1 32 ASP QB 2.500 . 3.000 2.346 2.163 2.743 . 0 0 "[ . 1 . 2]" 1
46 1 33 ARG H 1 33 ARG HB3 4.000 . 5.000 3.633 2.820 3.938 . 0 0 "[ . 1 . 2]" 1
47 1 33 ARG H 1 33 ARG HB2 4.000 . 5.000 3.254 2.391 3.892 . 0 0 "[ . 1 . 2]" 1
48 1 33 ARG HA 1 33 ARG HG3 4.000 . 5.000 3.375 2.556 4.044 . 0 0 "[ . 1 . 2]" 1
49 1 33 ARG HA 1 33 ARG HG2 3.500 . 4.000 3.254 2.463 3.694 . 0 0 "[ . 1 . 2]" 1
50 1 33 ARG HB2 1 33 ARG HD3 4.000 . 5.000 2.943 2.250 3.742 . 0 0 "[ . 1 . 2]" 1
51 1 33 ARG HB2 1 33 ARG HD2 3.500 . 4.000 2.997 1.949 3.965 . 0 0 "[ . 1 . 2]" 1
52 1 33 ARG HB3 1 33 ARG HD3 4.000 . 5.000 2.904 2.305 3.828 . 0 0 "[ . 1 . 2]" 1
53 1 33 ARG HB3 1 33 ARG HD2 4.000 . 5.000 3.272 2.390 3.874 . 0 0 "[ . 1 . 2]" 1
54 1 34 THR HA 1 34 THR MG 3.500 . 4.000 2.415 2.166 3.218 . 0 0 "[ . 1 . 2]" 1
55 1 34 THR H 1 34 THR HB 4.000 . 5.000 2.907 2.485 3.649 . 0 0 "[ . 1 . 2]" 1
56 1 34 THR H 1 34 THR MG 4.500 . 5.500 3.411 2.144 3.870 . 0 0 "[ . 1 . 2]" 1
57 1 35 VAL H 1 35 VAL HB 3.000 . 3.500 2.535 2.417 2.737 . 0 0 "[ . 1 . 2]" 1
58 1 35 VAL H 1 35 VAL MG1 4.000 . 5.000 3.792 3.738 3.850 . 0 0 "[ . 1 . 2]" 1
59 1 35 VAL H 1 35 VAL MG2 4.000 . 5.000 2.401 1.961 2.712 . 0 0 "[ . 1 . 2]" 1
60 1 35 VAL HA 1 35 VAL MG1 3.500 . 4.000 2.400 2.271 2.513 . 0 0 "[ . 1 . 2]" 1
61 1 35 VAL HA 1 35 VAL MG2 3.500 . 4.000 2.405 2.305 2.529 . 0 0 "[ . 1 . 2]" 1
62 1 36 THR HA 1 36 THR MG 3.500 . 4.000 2.283 2.195 2.337 . 0 0 "[ . 1 . 2]" 1
63 1 36 THR H 1 36 THR HB 4.000 . 5.000 3.680 3.558 3.783 . 0 0 "[ . 1 . 2]" 1
64 1 36 THR H 1 36 THR MG 4.500 . 5.500 2.890 2.717 3.092 . 0 0 "[ . 1 . 2]" 1
65 1 37 THR H 1 37 THR HB 3.000 . 3.500 3.045 2.159 3.362 . 0 0 "[ . 1 . 2]" 1
66 1 37 THR H 1 37 THR MG 4.000 . 5.000 1.924 1.779 3.191 0.021 9 0 "[ . 1 . 2]" 1
67 1 37 THR HA 1 37 THR MG 3.000 . 3.500 3.182 2.897 3.220 . 0 0 "[ . 1 . 2]" 1
68 1 38 CYS H 1 38 CYS HB3 4.000 . 5.000 3.502 2.829 3.754 . 0 0 "[ . 1 . 2]" 1
69 1 38 CYS H 1 38 CYS HB2 4.000 . 5.000 2.920 2.370 3.647 . 0 0 "[ . 1 . 2]" 1
70 1 39 ALA H 1 39 ALA HA 3.000 . 3.500 2.899 2.864 2.940 . 0 0 "[ . 1 . 2]" 1
71 1 39 ALA H 1 39 ALA MB 3.000 . 3.500 2.283 2.241 2.363 . 0 0 "[ . 1 . 2]" 1
72 1 40 GLU H 1 40 GLU HB3 3.000 . 3.500 3.262 2.215 3.573 0.073 17 0 "[ . 1 . 2]" 1
73 1 40 GLU H 1 40 GLU HB2 3.000 . 3.500 2.724 2.053 3.579 0.079 15 0 "[ . 1 . 2]" 1
74 1 40 GLU H 1 40 GLU QG 4.000 . 5.000 2.363 1.782 3.463 0.018 20 0 "[ . 1 . 2]" 1
75 1 40 GLU HA 1 40 GLU QG 3.000 . 3.500 2.902 2.196 3.420 . 0 0 "[ . 1 . 2]" 1
76 1 41 GLU HA 1 41 GLU QG 2.500 . 3.000 3.094 2.446 3.364 0.364 10 0 "[ . 1 . 2]" 1
77 1 41 GLU H 1 41 GLU QB 3.000 . 3.500 2.522 2.167 3.039 . 0 0 "[ . 1 . 2]" 1
78 1 41 GLU H 1 41 GLU QG 3.500 . 4.000 2.733 1.781 3.989 0.019 1 0 "[ . 1 . 2]" 1
79 1 42 GLN H 1 42 GLN HB3 4.000 . 5.000 3.685 3.469 3.799 . 0 0 "[ . 1 . 2]" 1
80 1 42 GLN H 1 42 GLN HB2 3.500 . 4.000 2.606 2.194 2.900 . 0 0 "[ . 1 . 2]" 1
81 1 42 GLN HE22 1 42 GLN HG3 4.000 . 5.000 3.642 3.433 4.040 . 0 0 "[ . 1 . 2]" 1
82 1 42 GLN H 1 42 GLN HG3 4.000 . 5.000 2.809 2.063 4.125 . 0 0 "[ . 1 . 2]" 1
83 1 42 GLN HA 1 42 GLN HG3 3.500 . 4.000 3.162 2.255 3.961 . 0 0 "[ . 1 . 2]" 1
84 1 42 GLN HA 1 42 GLN HG2 3.500 . 4.000 2.766 2.437 3.491 . 0 0 "[ . 1 . 2]" 1
85 1 43 THR HA 1 43 THR MG 3.500 . 4.000 2.169 2.138 2.218 . 0 0 "[ . 1 . 2]" 1
86 1 43 THR H 1 43 THR HB 4.000 . 5.000 3.408 3.205 3.662 . 0 0 "[ . 1 . 2]" 1
87 1 43 THR H 1 43 THR MG 4.000 . 5.000 3.096 2.775 3.609 . 0 0 "[ . 1 . 2]" 1
88 1 44 ARG H 1 44 ARG HB3 4.000 . 5.000 3.560 2.980 3.986 . 0 0 "[ . 1 . 2]" 1
89 1 44 ARG H 1 44 ARG HB2 4.000 . 5.000 2.941 2.685 3.133 . 0 0 "[ . 1 . 2]" 1
90 1 44 ARG H 1 44 ARG HG2 4.000 . 5.000 4.201 3.074 5.087 0.087 16 0 "[ . 1 . 2]" 1
91 1 44 ARG HA 1 44 ARG HD3 3.500 . 4.000 2.676 1.890 3.783 . 0 0 "[ . 1 . 2]" 1
92 1 44 ARG HA 1 44 ARG HD2 3.500 . 4.000 2.546 1.896 3.725 . 0 0 "[ . 1 . 2]" 1
93 1 44 ARG HA 1 44 ARG HG2 4.000 . 5.000 3.332 2.824 3.668 . 0 0 "[ . 1 . 2]" 1
94 1 44 ARG HB2 1 44 ARG HD3 4.000 . 5.000 3.220 2.423 4.227 . 0 0 "[ . 1 . 2]" 1
95 1 44 ARG HB2 1 44 ARG HD2 4.000 . 5.000 3.487 3.062 4.201 . 0 0 "[ . 1 . 2]" 1
96 1 44 ARG HB3 1 44 ARG HD3 4.000 . 5.000 3.423 2.449 3.751 . 0 0 "[ . 1 . 2]" 1
97 1 45 CYS H 1 45 CYS HB3 4.000 . 5.000 3.986 3.894 4.039 . 0 0 "[ . 1 . 2]" 1
98 1 45 CYS H 1 45 CYS HB2 4.000 . 5.000 3.061 2.947 3.173 . 0 0 "[ . 1 . 2]" 1
99 1 46 LEU H 1 46 LEU QB 3.000 . 3.500 2.333 2.261 2.394 . 0 0 "[ . 1 . 2]" 1
100 1 46 LEU H 1 46 LEU MD1 4.500 . 5.500 4.391 4.149 4.471 . 0 0 "[ . 1 . 2]" 1
101 1 46 LEU H 1 46 LEU MD2 4.500 . 5.500 4.174 4.050 4.272 . 0 0 "[ . 1 . 2]" 1
102 1 46 LEU H 1 46 LEU HG 4.000 . 5.000 4.474 4.166 4.772 . 0 0 "[ . 1 . 2]" 1
103 1 46 LEU HA 1 46 LEU MD1 4.000 . 5.000 3.702 3.299 3.846 . 0 0 "[ . 1 . 2]" 1
104 1 46 LEU HA 1 46 LEU MD2 3.500 . 4.000 1.973 1.782 2.260 0.018 8 0 "[ . 1 . 2]" 1
105 1 46 LEU HA 1 46 LEU HG 3.500 . 4.000 2.945 2.551 3.593 . 0 0 "[ . 1 . 2]" 1
106 1 47 PHE HA 1 47 PHE QD 4.000 . 5.000 2.648 2.217 3.009 . 0 0 "[ . 1 . 2]" 1
107 1 48 VAL H 1 48 VAL HB 3.500 . 4.000 2.725 2.617 2.886 . 0 0 "[ . 1 . 2]" 1
108 1 48 VAL HA 1 48 VAL MG1 3.500 . 4.000 2.365 2.309 2.424 . 0 0 "[ . 1 . 2]" 1
109 1 48 VAL HA 1 48 VAL MG2 3.500 . 4.000 2.458 2.393 2.510 . 0 0 "[ . 1 . 2]" 1
110 1 49 GLN HA 1 49 GLN HG3 3.500 . 4.000 3.831 3.322 4.171 0.171 4 0 "[ . 1 . 2]" 1
111 1 49 GLN HA 1 49 GLN HG2 3.500 . 4.000 3.562 3.193 4.131 0.131 5 0 "[ . 1 . 2]" 1
112 1 49 GLN H 1 49 GLN HA 3.000 . 3.500 2.924 2.899 2.940 . 0 0 "[ . 1 . 2]" 1
113 1 49 GLN H 1 49 GLN QB 3.000 . 3.500 2.650 2.186 3.168 . 0 0 "[ . 1 . 2]" 1
114 1 49 GLN H 1 49 GLN HG3 4.000 . 5.000 3.757 3.491 3.968 . 0 0 "[ . 1 . 2]" 1
115 1 49 GLN HA 1 49 GLN HE22 4.000 . 4.000 3.515 2.854 4.229 0.229 12 0 "[ . 1 . 2]" 1
116 1 50 LEU H 1 50 LEU QB 3.500 . 4.000 2.703 2.511 2.841 . 0 0 "[ . 1 . 2]" 1
117 1 50 LEU H 1 50 LEU MD1 4.500 . 5.500 4.000 3.713 4.178 . 0 0 "[ . 1 . 2]" 1
118 1 50 LEU H 1 50 LEU MD2 4.500 . 5.500 2.889 2.314 3.182 . 0 0 "[ . 1 . 2]" 1
119 1 50 LEU H 1 50 LEU HG 4.000 . 5.000 4.734 4.286 4.958 . 0 0 "[ . 1 . 2]" 1
120 1 50 LEU HA 1 50 LEU MD1 3.500 . 4.000 1.958 1.850 2.172 . 0 0 "[ . 1 . 2]" 1
121 1 50 LEU HA 1 50 LEU MD2 4.000 . 5.000 2.874 2.643 3.118 . 0 0 "[ . 1 . 2]" 1
122 1 50 LEU HA 1 50 LEU HG 3.500 . 4.000 3.732 3.676 3.824 . 0 0 "[ . 1 . 2]" 1
123 1 50 LEU QB 1 50 LEU MD2 3.000 . 3.500 2.281 2.192 2.329 . 0 0 "[ . 1 . 2]" 1
124 1 51 PRO HB3 1 51 PRO HD2 3.500 . 4.000 3.884 3.862 3.922 . 0 0 "[ . 1 . 2]" 1
125 1 51 PRO HA 1 51 PRO HD3 4.000 . 5.000 3.881 3.740 3.950 . 0 0 "[ . 1 . 2]" 1
126 1 51 PRO HA 1 51 PRO HD2 4.000 . 5.000 3.941 3.890 4.073 . 0 0 "[ . 1 . 2]" 1
127 1 51 PRO HA 1 51 PRO HG3 3.500 . 4.000 3.423 3.021 4.017 0.017 15 0 "[ . 1 . 2]" 1
128 1 51 PRO HA 1 51 PRO HG2 3.500 . 4.000 3.997 3.889 4.058 0.058 16 0 "[ . 1 . 2]" 1
129 1 51 PRO HB3 1 51 PRO HD3 4.000 . 5.000 3.839 3.157 4.056 . 0 0 "[ . 1 . 2]" 1
130 1 51 PRO HB2 1 51 PRO HD3 4.000 . 5.000 3.950 3.875 4.053 . 0 0 "[ . 1 . 2]" 1
131 1 51 PRO HB2 1 51 PRO HD2 4.000 . 5.000 3.224 2.937 3.966 . 0 0 "[ . 1 . 2]" 1
132 1 52 TYR HA 1 52 TYR QD 3.500 . 4.000 3.067 2.627 3.744 . 0 0 "[ . 1 . 2]" 1
133 1 52 TYR H 1 52 TYR HB3 4.000 . 5.000 3.851 3.417 4.027 . 0 0 "[ . 1 . 2]" 1
134 1 52 TYR H 1 52 TYR HB2 4.000 . 5.000 3.292 2.694 4.138 . 0 0 "[ . 1 . 2]" 1
135 1 53 SER H 1 53 SER HB3 4.000 . 5.000 3.756 3.075 4.070 . 0 0 "[ . 1 . 2]" 1
136 1 53 SER H 1 53 SER HB2 4.000 . 5.000 3.272 2.545 4.082 . 0 0 "[ . 1 . 2]" 1
137 1 54 GLU H 1 54 GLU QB 3.500 . 4.000 2.945 2.558 3.268 . 0 0 "[ . 1 . 2]" 1
138 1 54 GLU H 1 54 GLU QG 4.000 . 5.000 2.658 2.109 3.267 . 0 0 "[ . 1 . 2]" 1
139 1 54 GLU HA 1 54 GLU QG 3.000 . 3.500 3.024 2.486 3.485 . 0 0 "[ . 1 . 2]" 1
140 1 55 ILE HA 1 55 ILE MD 3.500 . 4.000 2.845 1.795 3.857 0.005 3 0 "[ . 1 . 2]" 1
141 1 55 ILE HA 1 55 ILE HG13 3.000 . 3.500 3.312 2.888 3.664 0.164 9 0 "[ . 1 . 2]" 1
142 1 55 ILE HA 1 55 ILE HG12 3.500 . 4.000 2.770 2.419 3.139 . 0 0 "[ . 1 . 2]" 1
143 1 55 ILE HA 1 55 ILE MG 3.500 . 4.000 2.447 2.330 2.554 . 0 0 "[ . 1 . 2]" 1
144 1 55 ILE HB 1 55 ILE MD 3.500 . 4.000 2.833 2.415 3.231 . 0 0 "[ . 1 . 2]" 1
145 1 55 ILE HG13 1 55 ILE MG 3.500 . 4.000 2.740 2.241 3.205 . 0 0 "[ . 1 . 2]" 1
146 1 55 ILE HG12 1 55 ILE MG 3.500 . 4.000 2.789 2.369 3.198 . 0 0 "[ . 1 . 2]" 1
147 1 55 ILE H 1 55 ILE HB 3.500 . 4.000 2.550 2.369 2.748 . 0 0 "[ . 1 . 2]" 1
148 1 55 ILE H 1 55 ILE MD 4.500 . 5.500 3.801 3.454 4.120 . 0 0 "[ . 1 . 2]" 1
149 1 55 ILE H 1 55 ILE HG13 4.000 . 5.000 3.474 2.560 4.305 . 0 0 "[ . 1 . 2]" 1
150 1 55 ILE H 1 55 ILE HG12 4.000 . 5.000 3.387 2.706 4.090 . 0 0 "[ . 1 . 2]" 1
151 1 55 ILE H 1 55 ILE MG 4.500 . 5.500 3.804 3.703 3.904 . 0 0 "[ . 1 . 2]" 1
152 1 56 GLN H 1 56 GLN HB3 4.000 . 5.000 3.981 3.872 4.032 . 0 0 "[ . 1 . 2]" 1
153 1 56 GLN H 1 56 GLN HB2 4.000 . 5.000 3.046 2.830 3.169 . 0 0 "[ . 1 . 2]" 1
154 1 56 GLN H 1 56 GLN HG3 4.000 . 5.000 3.363 3.043 3.564 . 0 0 "[ . 1 . 2]" 1
155 1 56 GLN HE22 1 56 GLN HG3 4.000 . 5.000 4.019 3.779 4.073 . 0 0 "[ . 1 . 2]" 1
156 1 56 GLN HA 1 56 GLN HG3 3.500 . 4.000 3.238 2.969 3.484 . 0 0 "[ . 1 . 2]" 1
157 1 56 GLN HA 1 56 GLN HG2 3.500 . 4.000 2.594 2.456 2.696 . 0 0 "[ . 1 . 2]" 1
158 1 57 GLU HA 1 57 GLU HG3 4.000 . 5.000 3.822 3.311 4.125 . 0 0 "[ . 1 . 2]" 1
159 1 57 GLU HA 1 57 GLU HG2 4.000 . 5.000 3.608 2.688 4.025 . 0 0 "[ . 1 . 2]" 1
160 1 57 GLU H 1 57 GLU HB3 4.000 . 5.000 3.530 2.655 3.964 . 0 0 "[ . 1 . 2]" 1
161 1 57 GLU H 1 57 GLU HB2 4.000 . 5.000 3.776 3.001 4.033 . 0 0 "[ . 1 . 2]" 1
162 1 57 GLU H 1 57 GLU HG3 3.500 . 4.000 3.408 3.067 4.092 0.092 6 0 "[ . 1 . 2]" 1
163 1 58 CYS H 1 58 CYS HB3 4.000 . 5.000 3.575 2.813 3.805 . 0 0 "[ . 1 . 2]" 1
164 1 58 CYS H 1 58 CYS HB2 3.500 . 4.000 2.691 2.255 3.592 . 0 0 "[ . 1 . 2]" 1
165 1 59 LYS H 1 59 LYS HB3 4.000 . 5.000 3.574 2.927 3.966 . 0 0 "[ . 1 . 2]" 1
166 1 59 LYS H 1 59 LYS HB2 4.000 . 5.000 2.952 2.685 3.217 . 0 0 "[ . 1 . 2]" 1
167 1 59 LYS HA 1 59 LYS HD3 3.000 . 3.500 2.293 1.842 3.526 0.026 18 0 "[ . 1 . 2]" 1
168 1 59 LYS HA 1 59 LYS HD2 3.000 . 3.500 3.068 1.921 3.565 0.065 5 0 "[ . 1 . 2]" 1
169 1 59 LYS HA 1 59 LYS HE3 4.000 . 5.000 4.319 3.732 5.009 0.009 15 0 "[ . 1 . 2]" 1
170 1 59 LYS HA 1 59 LYS HE2 4.000 . 5.000 3.748 2.333 5.002 0.002 9 0 "[ . 1 . 2]" 1
171 1 59 LYS HA 1 59 LYS QG 3.000 . 3.500 2.769 2.360 2.984 . 0 0 "[ . 1 . 2]" 1
172 1 59 LYS HB3 1 59 LYS HD3 4.000 . 5.000 3.383 2.706 3.764 . 0 0 "[ . 1 . 2]" 1
173 1 59 LYS HB2 1 59 LYS HD3 3.500 . 4.000 3.216 2.446 3.811 . 0 0 "[ . 1 . 2]" 1
174 1 59 LYS HB2 1 59 LYS HE2 4.000 . 5.000 3.607 1.845 4.762 . 0 0 "[ . 1 . 2]" 1
175 1 59 LYS HE3 1 59 LYS QG 3.500 . 4.000 2.495 2.289 2.832 . 0 0 "[ . 1 . 2]" 1
176 1 59 LYS HE2 1 59 LYS QG 2.500 . 3.000 2.542 2.069 3.043 0.043 5 0 "[ . 1 . 2]" 1
177 1 60 THR HA 1 60 THR MG 3.500 . 4.000 2.488 2.387 2.702 . 0 0 "[ . 1 . 2]" 1
178 1 60 THR H 1 60 THR HA 3.000 . 3.500 2.845 2.660 2.938 . 0 0 "[ . 1 . 2]" 1
179 1 60 THR H 1 60 THR MG 3.500 . 4.000 2.165 1.763 3.691 0.037 2 0 "[ . 1 . 2]" 1
180 1 61 VAL H 1 61 VAL HB 2.500 . 3.000 2.753 2.576 2.899 . 0 0 "[ . 1 . 2]" 1
181 1 61 VAL H 1 61 VAL QG 4.000 . 5.000 1.856 1.769 2.077 0.031 6 0 "[ . 1 . 2]" 1
182 1 61 VAL HA 1 61 VAL MG2 3.500 . 4.000 2.448 2.318 2.556 . 0 0 "[ . 1 . 2]" 1
183 1 62 GLN HA 1 62 GLN QG 3.000 . 3.500 2.772 2.497 3.343 . 0 0 "[ . 1 . 2]" 1
184 1 62 GLN H 1 62 GLN HA 3.000 . 3.500 2.814 2.660 2.886 . 0 0 "[ . 1 . 2]" 1
185 1 62 GLN H 1 62 GLN HB2 2.500 . 3.000 2.912 2.647 3.411 0.411 5 0 "[ . 1 . 2]" 1
186 1 62 GLN H 1 62 GLN QG 4.000 . 5.000 3.692 2.363 3.982 . 0 0 "[ . 1 . 2]" 1
187 1 63 GLN H 1 63 GLN HB3 3.500 . 4.000 3.117 2.233 3.622 . 0 0 "[ . 1 . 2]" 1
188 1 63 GLN H 1 63 GLN HB2 3.500 . 4.000 2.462 2.057 2.877 . 0 0 "[ . 1 . 2]" 1
189 1 63 GLN HE22 1 63 GLN QG 3.500 . 4.000 3.346 3.210 3.495 . 0 0 "[ . 1 . 2]" 1
190 1 63 GLN H 1 63 GLN QG 3.500 . 4.000 3.095 2.106 4.009 0.009 1 0 "[ . 1 . 2]" 1
191 1 63 GLN HA 1 63 GLN QG 3.000 . 3.500 2.524 2.366 2.854 . 0 0 "[ . 1 . 2]" 1
192 1 64 CYS H 1 64 CYS HB3 3.500 . 4.000 2.591 2.196 2.963 . 0 0 "[ . 1 . 2]" 1
193 1 64 CYS H 1 64 CYS HB2 3.500 . 4.000 2.881 2.201 3.607 . 0 0 "[ . 1 . 2]" 1
194 1 65 ALA H 1 65 ALA HA 3.000 . 3.500 2.842 2.750 2.906 . 0 0 "[ . 1 . 2]" 1
195 1 65 ALA H 1 65 ALA MB 3.000 . 3.500 2.255 2.219 2.290 . 0 0 "[ . 1 . 2]" 1
196 1 66 GLU H 1 66 GLU HA 2.500 . 3.000 2.757 2.696 2.805 . 0 0 "[ . 1 . 2]" 1
197 1 66 GLU H 1 66 GLU HB3 3.000 . 3.500 3.288 2.279 3.544 0.044 10 0 "[ . 1 . 2]" 1
198 1 66 GLU H 1 66 GLU HB2 3.000 . 3.500 2.660 2.292 3.550 0.050 3 0 "[ . 1 . 2]" 1
199 1 66 GLU H 1 66 GLU HG3 3.500 . 4.000 2.800 2.013 3.744 . 0 0 "[ . 1 . 2]" 1
200 1 66 GLU H 1 66 GLU HG2 3.500 . 4.000 2.855 1.976 3.614 . 0 0 "[ . 1 . 2]" 1
201 1 66 GLU HA 1 66 GLU HG3 3.000 . 3.500 3.304 2.820 3.709 0.209 3 0 "[ . 1 . 2]" 1
202 1 66 GLU HA 1 66 GLU HG2 3.500 . 4.000 2.932 2.494 3.736 . 0 0 "[ . 1 . 2]" 1
203 1 67 VAL HA 1 67 VAL MG1 3.500 . 4.000 2.414 2.365 2.475 . 0 0 "[ . 1 . 2]" 1
204 1 67 VAL HA 1 67 VAL MG2 3.500 . 4.000 3.165 3.157 3.174 . 0 0 "[ . 1 . 2]" 1
205 1 67 VAL H 1 67 VAL HB 2.500 . 3.000 3.417 3.394 3.435 0.435 1 0 "[ . 1 . 2]" 1
206 1 67 VAL H 1 67 VAL MG1 4.500 . 5.500 1.799 1.744 1.904 0.056 2 0 "[ . 1 . 2]" 1
207 1 67 VAL H 1 67 VAL MG2 3.500 . 4.000 2.210 2.017 2.401 . 0 0 "[ . 1 . 2]" 1
208 1 68 LEU H 1 68 LEU HA 3.000 . 3.500 2.746 2.695 2.866 . 0 0 "[ . 1 . 2]" 1
209 1 68 LEU H 1 68 LEU HB3 2.500 . 3.000 2.804 2.232 3.025 0.025 6 0 "[ . 1 . 2]" 1
210 1 68 LEU H 1 68 LEU QD 4.500 . 5.500 3.483 3.292 3.765 . 0 0 "[ . 1 . 2]" 1
211 1 68 LEU HA 1 68 LEU MD1 3.500 . 4.000 2.078 1.927 2.350 . 0 0 "[ . 1 . 2]" 1
212 1 68 LEU HA 1 68 LEU MD2 3.500 . 4.000 3.168 2.038 3.891 . 0 0 "[ . 1 . 2]" 1
213 1 68 LEU HA 1 68 LEU HG 3.500 . 4.000 3.360 2.637 3.707 . 0 0 "[ . 1 . 2]" 1
214 1 69 GLU HA 1 69 GLU HG3 3.500 . 4.000 2.796 2.448 3.733 . 0 0 "[ . 1 . 2]" 1
215 1 69 GLU HA 1 69 GLU HG2 3.500 . 4.000 3.116 2.426 3.713 . 0 0 "[ . 1 . 2]" 1
216 1 69 GLU H 1 69 GLU HA 3.000 . 3.500 2.813 2.762 2.861 . 0 0 "[ . 1 . 2]" 1
217 1 69 GLU H 1 69 GLU QB 2.500 . 3.000 2.321 2.245 2.502 . 0 0 "[ . 1 . 2]" 1
218 1 69 GLU H 1 69 GLU HG3 4.000 . 5.000 3.981 2.101 4.518 . 0 0 "[ . 1 . 2]" 1
219 1 69 GLU H 1 69 GLU HG2 4.000 . 5.000 4.168 2.133 4.624 . 0 0 "[ . 1 . 2]" 1
220 1 70 GLU H 1 70 GLU HA 3.000 . 3.500 2.840 2.816 2.855 . 0 0 "[ . 1 . 2]" 1
221 1 70 GLU H 1 70 GLU QB 2.500 . 3.000 2.483 2.452 2.513 . 0 0 "[ . 1 . 2]" 1
222 1 70 GLU H 1 70 GLU HG3 2.500 . 3.000 3.119 3.102 3.138 0.138 18 0 "[ . 1 . 2]" 1
223 1 70 GLU H 1 70 GLU HG2 4.000 . 5.000 1.972 1.939 1.999 . 0 0 "[ . 1 . 2]" 1
224 1 70 GLU HA 1 70 GLU HG3 3.000 . 3.500 3.590 3.578 3.604 0.104 20 0 "[ . 1 . 2]" 1
225 1 70 GLU HA 1 70 GLU HG2 3.000 . 3.500 3.656 3.637 3.667 0.167 19 0 "[ . 1 . 2]" 1
226 1 71 VAL HA 1 71 VAL MG1 3.000 . 3.500 2.330 2.300 2.354 . 0 0 "[ . 1 . 2]" 1
227 1 71 VAL H 1 71 VAL HB 4.000 . 5.000 3.625 3.616 3.634 . 0 0 "[ . 1 . 2]" 1
228 1 71 VAL H 1 71 VAL QG 3.500 . 4.000 1.878 1.860 1.892 . 0 0 "[ . 1 . 2]" 1
229 1 72 THR HA 1 72 THR MG 3.500 . 4.000 2.394 2.225 2.512 . 0 0 "[ . 1 . 2]" 1
230 1 72 THR H 1 72 THR HA 3.000 . 3.500 2.798 2.753 2.872 . 0 0 "[ . 1 . 2]" 1
231 1 72 THR H 1 72 THR HB 3.000 . 3.500 2.855 2.401 3.596 0.096 9 0 "[ . 1 . 2]" 1
232 1 72 THR H 1 72 THR MG 4.500 . 5.500 3.284 2.244 3.772 . 0 0 "[ . 1 . 2]" 1
233 1 73 ALA H 1 73 ALA HA 3.000 . 3.500 2.776 2.732 2.813 . 0 0 "[ . 1 . 2]" 1
234 1 73 ALA H 1 73 ALA MB 3.000 . 3.500 2.229 2.219 2.235 . 0 0 "[ . 1 . 2]" 1
235 1 74 ILE H 1 74 ILE HB 3.000 . 3.500 2.688 2.609 2.765 . 0 0 "[ . 1 . 2]" 1
236 1 74 ILE H 1 74 ILE MD 4.500 . 5.500 3.605 3.520 3.676 . 0 0 "[ . 1 . 2]" 1
237 1 74 ILE H 1 74 ILE HG13 3.500 . 4.000 2.055 1.955 2.188 . 0 0 "[ . 1 . 2]" 1
238 1 74 ILE H 1 74 ILE HG12 3.500 . 4.000 3.279 3.137 3.396 . 0 0 "[ . 1 . 2]" 1
239 1 74 ILE H 1 74 ILE MG 4.500 . 5.500 3.805 3.782 3.827 . 0 0 "[ . 1 . 2]" 1
240 1 74 ILE HA 1 74 ILE MD 4.500 . 5.500 3.910 3.875 3.935 . 0 0 "[ . 1 . 2]" 1
241 1 74 ILE HA 1 74 ILE HG13 3.500 . 4.000 3.214 3.160 3.298 . 0 0 "[ . 1 . 2]" 1
242 1 74 ILE HA 1 74 ILE HG12 4.000 . 5.000 2.703 2.625 2.774 . 0 0 "[ . 1 . 2]" 1
243 1 74 ILE HB 1 74 ILE MD 3.500 . 4.000 2.421 2.396 2.443 . 0 0 "[ . 1 . 2]" 1
244 1 75 GLY H 1 75 GLY HA3 3.000 . 3.500 2.919 2.897 2.936 . 0 0 "[ . 1 . 2]" 1
245 1 75 GLY H 1 75 GLY HA2 3.000 . 3.500 2.352 2.319 2.392 . 0 0 "[ . 1 . 2]" 1
246 1 76 TYR H 1 76 TYR HB3 3.000 . 3.500 3.600 3.572 3.627 0.127 13 0 "[ . 1 . 2]" 1
247 1 76 TYR H 1 76 TYR HB2 4.000 . 5.000 2.383 2.334 2.440 . 0 0 "[ . 1 . 2]" 1
248 1 76 TYR H 1 76 TYR QD 4.500 . 5.500 3.034 2.712 3.387 . 0 0 "[ . 1 . 2]" 1
249 1 76 TYR HA 1 76 TYR QD 3.500 . 4.000 2.557 2.178 2.854 . 0 0 "[ . 1 . 2]" 1
250 1 76 TYR HA 1 76 TYR QE 4.000 . 5.000 4.470 4.282 4.572 . 0 0 "[ . 1 . 2]" 1
251 1 77 PRO HA 1 77 PRO HG3 3.500 . 4.000 2.899 2.835 2.987 . 0 0 "[ . 1 . 2]" 1
252 1 77 PRO HA 1 77 PRO HG2 4.000 . 5.000 3.904 3.869 3.947 . 0 0 "[ . 1 . 2]" 1
253 1 77 PRO HB3 1 77 PRO HD3 3.500 . 4.000 4.063 4.057 4.069 0.069 3 0 "[ . 1 . 2]" 1
254 1 77 PRO HB3 1 77 PRO HD2 4.000 . 5.000 3.831 3.789 3.863 . 0 0 "[ . 1 . 2]" 1
255 1 77 PRO HB2 1 77 PRO HD3 4.000 . 5.000 3.798 3.769 3.829 . 0 0 "[ . 1 . 2]" 1
256 1 77 PRO HB2 1 77 PRO HD2 4.000 . 5.000 2.817 2.758 2.858 . 0 0 "[ . 1 . 2]" 1
257 1 79 LYS H 1 79 LYS HB3 4.000 . 5.000 3.679 3.304 3.914 . 0 0 "[ . 1 . 2]" 1
258 1 79 LYS H 1 79 LYS HB2 4.000 . 5.000 3.404 2.704 3.984 . 0 0 "[ . 1 . 2]" 1
259 1 79 LYS H 1 79 LYS HG3 4.000 . 5.000 3.275 2.371 4.048 . 0 0 "[ . 1 . 2]" 1
260 1 79 LYS HA 1 79 LYS QD 4.000 . 5.000 3.686 2.506 4.514 . 0 0 "[ . 1 . 2]" 1
261 1 79 LYS HA 1 79 LYS HG3 4.000 . 5.000 3.911 3.639 4.254 . 0 0 "[ . 1 . 2]" 1
262 1 79 LYS HA 1 79 LYS HG2 4.000 . 5.000 3.379 2.739 3.885 . 0 0 "[ . 1 . 2]" 1
263 1 79 LYS HB2 1 79 LYS QD 3.500 . 3.500 2.934 2.259 3.510 0.010 15 0 "[ . 1 . 2]" 1
264 1 79 LYS HB2 1 79 LYS HE3 4.000 . 5.000 3.893 1.998 5.162 0.162 10 0 "[ . 1 . 2]" 1
265 1 79 LYS HB2 1 79 LYS HE2 4.000 . 5.000 3.957 2.092 5.270 0.270 16 0 "[ . 1 . 2]" 1
266 1 79 LYS HB3 1 79 LYS QD 3.000 . 3.500 2.421 2.058 3.129 . 0 0 "[ . 1 . 2]" 1
267 1 79 LYS HE3 1 79 LYS HG3 3.500 . 4.000 3.247 2.392 3.695 . 0 0 "[ . 1 . 2]" 1
268 1 79 LYS HE2 1 79 LYS HG3 3.500 . 4.000 3.001 2.230 4.190 0.190 1 0 "[ . 1 . 2]" 1
269 1 79 LYS HE3 1 79 LYS HG2 3.500 . 4.000 3.347 2.397 4.180 0.180 19 0 "[ . 1 . 2]" 1
270 1 79 LYS HE2 1 79 LYS HG2 3.500 . 4.000 3.473 2.607 3.777 . 0 0 "[ . 1 . 2]" 1
271 1 80 CYS H 1 80 CYS HB3 4.000 . 5.000 3.220 2.376 3.729 . 0 0 "[ . 1 . 2]" 1
272 1 80 CYS H 1 80 CYS HB2 4.000 . 5.000 3.179 2.576 3.826 . 0 0 "[ . 1 . 2]" 1
273 1 81 CYS H 1 81 CYS HB3 4.000 . 5.000 2.899 2.403 3.414 . 0 0 "[ . 1 . 2]" 1
274 1 81 CYS H 1 81 CYS HB2 4.000 . 5.000 3.461 2.668 3.721 . 0 0 "[ . 1 . 2]" 1
275 1 82 CYS H 1 82 CYS HB3 4.000 . 5.000 3.176 2.614 3.833 . 0 0 "[ . 1 . 2]" 1
276 1 82 CYS H 1 82 CYS HB2 4.000 . 5.000 3.249 2.573 3.777 . 0 0 "[ . 1 . 2]" 1
277 1 83 GLU H 1 83 GLU HB3 4.000 . 5.000 3.199 3.079 3.855 . 0 0 "[ . 1 . 2]" 1
278 1 83 GLU H 1 83 GLU HB2 4.000 . 5.000 3.587 3.138 4.103 . 0 0 "[ . 1 . 2]" 1
279 1 83 GLU H 1 83 GLU QG 4.000 . 5.000 4.188 3.284 4.452 . 0 0 "[ . 1 . 2]" 1
280 1 83 GLU HA 1 83 GLU QG 3.000 . 3.500 2.720 2.399 3.340 . 0 0 "[ . 1 . 2]" 1
281 1 84 ASP H 1 84 ASP HB3 3.500 . 4.000 3.611 2.699 3.678 . 0 0 "[ . 1 . 2]" 1
282 1 84 ASP H 1 84 ASP HB2 3.500 . 4.000 2.494 2.447 2.744 . 0 0 "[ . 1 . 2]" 1
283 1 85 LEU H 1 85 LEU HA 3.000 . 3.500 2.268 2.257 2.277 . 0 0 "[ . 1 . 2]" 1
284 1 85 LEU H 1 85 LEU MD1 4.500 . 5.500 2.068 1.834 4.520 . 0 0 "[ . 1 . 2]" 1
285 1 85 LEU H 1 85 LEU MD2 4.500 . 5.500 3.071 2.546 3.386 . 0 0 "[ . 1 . 2]" 1
286 1 85 LEU H 1 85 LEU HG 4.000 . 5.000 4.351 3.202 4.540 . 0 0 "[ . 1 . 2]" 1
287 1 85 LEU HA 1 85 LEU MD1 3.500 . 4.000 2.327 2.192 3.804 . 0 0 "[ . 1 . 2]" 1
288 1 85 LEU HA 1 85 LEU MD2 4.500 . 5.500 3.587 2.100 3.757 . 0 0 "[ . 1 . 2]" 1
289 1 85 LEU HA 1 85 LEU HG 4.000 . 5.000 3.635 3.353 3.681 . 0 0 "[ . 1 . 2]" 1
290 1 86 CYS H 1 86 CYS QB 3.000 . 3.500 2.225 2.149 2.353 . 0 0 "[ . 1 . 2]" 1
291 1 87 ASN H 1 87 ASN HB3 4.000 . 5.000 2.818 2.415 3.111 . 0 0 "[ . 1 . 2]" 1
292 1 87 ASN H 1 87 ASN HB2 4.000 . 5.000 3.680 3.596 3.794 . 0 0 "[ . 1 . 2]" 1
293 1 88 ARG H 1 88 ARG HB3 4.000 . 5.000 2.815 2.164 3.616 . 0 0 "[ . 1 . 2]" 1
294 1 88 ARG H 1 88 ARG HB2 4.000 . 5.000 3.319 2.252 3.967 . 0 0 "[ . 1 . 2]" 1
295 1 88 ARG H 1 88 ARG HG3 4.000 . 5.000 3.912 2.986 4.768 . 0 0 "[ . 1 . 2]" 1
296 1 88 ARG H 1 88 ARG HG2 4.000 . 5.000 3.312 1.772 4.623 0.028 19 0 "[ . 1 . 2]" 1
297 1 88 ARG HA 1 88 ARG QD 4.000 . 5.000 4.125 3.487 4.493 . 0 0 "[ . 1 . 2]" 1
298 1 88 ARG HA 1 88 ARG HG3 4.000 . 5.000 3.486 2.249 4.246 . 0 0 "[ . 1 . 2]" 1
299 1 88 ARG HA 1 88 ARG HG2 4.000 . 5.000 3.381 2.600 3.717 . 0 0 "[ . 1 . 2]" 1
300 1 88 ARG HB3 1 88 ARG QD 3.500 . 4.000 2.495 2.171 3.496 . 0 0 "[ . 1 . 2]" 1
301 1 88 ARG HB2 1 88 ARG QD 3.500 . 4.000 2.774 2.419 3.482 . 0 0 "[ . 1 . 2]" 1
302 1 89 SER H 1 89 SER HA 2.500 . 3.000 2.789 2.293 2.930 . 0 0 "[ . 1 . 2]" 1
303 1 90 GLU H 1 90 GLU HB3 4.000 . 5.000 3.192 2.337 3.956 . 0 0 "[ . 1 . 2]" 1
304 1 90 GLU H 1 90 GLU HB2 3.500 . 4.000 3.128 2.210 3.601 . 0 0 "[ . 1 . 2]" 1
305 1 90 GLU H 1 90 GLU HG3 4.000 . 5.000 3.357 1.793 4.748 0.007 10 0 "[ . 1 . 2]" 1
306 1 90 GLU H 1 90 GLU HG2 4.000 . 5.000 3.008 1.876 4.407 . 0 0 "[ . 1 . 2]" 1
307 1 90 GLU HA 1 90 GLU QG 3.500 . 4.000 2.986 2.408 3.575 . 0 0 "[ . 1 . 2]" 1
308 1 91 GLN H 1 91 GLN HB3 3.500 . 4.000 3.380 2.478 4.083 0.083 13 0 "[ . 1 . 2]" 1
309 1 91 GLN H 1 91 GLN HB2 4.000 . 5.000 3.371 2.414 4.063 . 0 0 "[ . 1 . 2]" 1
310 1 91 GLN H 1 91 GLN QG 4.000 . 5.000 3.011 1.923 4.136 . 0 0 "[ . 1 . 2]" 1
311 1 21 MET HA 1 22 ALA H 2.500 . 3.000 2.417 2.154 3.108 0.108 11 0 "[ . 1 . 2]" 1
312 1 21 MET HB3 1 22 ALA H 4.000 . 5.000 3.942 1.783 4.485 0.017 10 0 "[ . 1 . 2]" 1
313 1 21 MET HB2 1 22 ALA H 4.000 . 5.000 4.058 2.764 4.594 . 0 0 "[ . 1 . 2]" 1
314 1 22 ALA HA 1 23 LEU H 2.500 . 3.000 2.297 2.126 2.625 . 0 0 "[ . 1 . 2]" 1
315 1 22 ALA MB 1 23 LEU H 3.000 . 3.500 2.808 1.973 3.511 0.011 7 0 "[ . 1 . 2]" 1
316 1 23 LEU HA 1 24 LYS H 2.500 . 3.000 2.282 2.163 2.450 . 0 0 "[ . 1 . 2]" 1
317 1 23 LEU MD1 1 24 LYS H 3.500 . 4.000 2.516 2.181 2.825 . 0 0 "[ . 1 . 2]" 1
318 1 24 LYS HA 1 25 CYS H 2.500 . 3.000 2.156 2.118 2.206 . 0 0 "[ . 1 . 2]" 1
319 1 24 LYS QB 1 25 CYS H 3.500 . 4.000 3.411 2.922 3.601 . 0 0 "[ . 1 . 2]" 1
320 1 23 LEU H 1 24 LYS H 4.000 . 5.000 4.392 4.248 4.599 . 0 0 "[ . 1 . 2]" 1
321 1 25 CYS HA 1 26 PHE H 3.000 . 3.500 2.441 2.215 2.608 . 0 0 "[ . 1 . 2]" 1
322 1 25 CYS HB3 1 26 PHE H 4.000 . 5.000 2.653 2.094 3.441 . 0 0 "[ . 1 . 2]" 1
323 1 25 CYS HB2 1 26 PHE H 4.000 . 5.000 3.608 3.155 4.115 . 0 0 "[ . 1 . 2]" 1
324 1 24 LYS H 1 25 CYS H 4.000 . 5.000 4.326 4.130 4.556 . 0 0 "[ . 1 . 2]" 1
325 1 26 PHE HA 1 27 THR H 3.000 . 3.500 2.167 2.123 2.239 . 0 0 "[ . 1 . 2]" 1
326 1 26 PHE HB2 1 27 THR H 4.000 . 5.000 4.271 4.079 4.473 . 0 0 "[ . 1 . 2]" 1
327 1 26 PHE QD 1 27 THR H 4.500 . 5.500 3.845 3.381 4.242 . 0 0 "[ . 1 . 2]" 1
328 1 27 THR HA 1 28 ARG H 3.000 . 3.500 2.268 2.174 2.475 . 0 0 "[ . 1 . 2]" 1
329 1 27 THR HB 1 28 ARG H 3.500 . 4.000 3.727 2.833 4.046 0.046 1 0 "[ . 1 . 2]" 1
330 1 27 THR MG 1 28 ARG H 4.500 . 5.500 2.657 1.820 3.927 . 0 0 "[ . 1 . 2]" 1
331 1 28 ARG HA 1 29 ASN H 3.000 . 3.500 2.133 2.060 2.205 . 0 0 "[ . 1 . 2]" 1
332 1 28 ARG HB3 1 29 ASN H 4.000 . 5.000 3.990 3.424 4.403 . 0 0 "[ . 1 . 2]" 1
333 1 28 ARG HB2 1 29 ASN H 4.000 . 5.000 4.420 4.274 4.560 . 0 0 "[ . 1 . 2]" 1
334 1 28 ARG QG 1 29 ASN H 4.000 . 5.000 3.604 3.006 4.764 . 0 0 "[ . 1 . 2]" 1
335 1 29 ASN HA 1 30 GLY H 4.000 . 5.000 2.249 2.121 2.339 . 0 0 "[ . 1 . 2]" 1
336 1 28 ARG H 1 29 ASN H 4.000 . 5.000 4.299 4.234 4.432 . 0 0 "[ . 1 . 2]" 1
337 1 30 GLY HA3 1 31 ASP H 4.000 . 5.000 2.408 2.131 3.473 . 0 0 "[ . 1 . 2]" 1
338 1 30 GLY HA2 1 31 ASP H 4.000 . 5.000 3.411 2.869 3.546 . 0 0 "[ . 1 . 2]" 1
339 1 31 ASP HA 1 32 ASP H 3.500 . 4.000 3.426 3.162 3.563 . 0 0 "[ . 1 . 2]" 1
340 1 31 ASP HB3 1 32 ASP H 4.000 . 5.000 3.232 1.879 4.205 . 0 0 "[ . 1 . 2]" 1
341 1 31 ASP H 1 32 ASP H 4.000 . 5.000 2.239 1.787 3.146 0.013 2 0 "[ . 1 . 2]" 1
342 1 32 ASP HA 1 33 ARG H 2.500 . 3.000 2.450 2.148 2.811 . 0 0 "[ . 1 . 2]" 1
343 1 32 ASP QB 1 33 ARG H 4.000 . 5.000 3.013 2.168 3.568 . 0 0 "[ . 1 . 2]" 1
344 1 33 ARG HA 1 34 THR H 2.500 . 3.000 2.136 2.087 2.213 . 0 0 "[ . 1 . 2]" 1
345 1 33 ARG HB3 1 34 THR H 4.000 . 5.000 3.900 3.077 4.393 . 0 0 "[ . 1 . 2]" 1
346 1 33 ARG HG3 1 34 THR H 4.000 . 5.000 4.887 4.634 5.192 0.192 2 0 "[ . 1 . 2]" 1
347 1 34 THR HA 1 35 VAL H 2.500 . 3.000 2.304 2.162 2.667 . 0 0 "[ . 1 . 2]" 1
348 1 34 THR MG 1 35 VAL H 4.500 . 5.500 2.689 2.138 3.729 . 0 0 "[ . 1 . 2]" 1
349 1 34 THR HA 1 35 VAL MG2 4.000 . 5.000 3.704 3.523 4.085 . 0 0 "[ . 1 . 2]" 1
350 1 35 VAL MG1 1 36 THR HA 4.000 . 5.000 3.711 3.296 4.349 . 0 0 "[ . 1 . 2]" 1
351 1 35 VAL HA 1 36 THR H 3.000 . 3.500 2.187 2.148 2.247 . 0 0 "[ . 1 . 2]" 1
352 1 35 VAL MG1 1 36 THR H 4.000 . 5.000 3.146 2.840 3.365 . 0 0 "[ . 1 . 2]" 1
353 1 35 VAL MG2 1 36 THR H 4.000 . 5.000 4.204 4.096 4.300 . 0 0 "[ . 1 . 2]" 1
354 1 36 THR HA 1 37 THR H 4.000 . 5.000 2.247 2.148 2.345 . 0 0 "[ . 1 . 2]" 1
355 1 36 THR HB 1 37 THR H 2.500 . 3.000 2.724 2.540 3.011 0.011 6 0 "[ . 1 . 2]" 1
356 1 36 THR MG 1 37 THR H 3.500 . 4.000 3.585 3.234 3.764 . 0 0 "[ . 1 . 2]" 1
357 1 36 THR HB 1 37 THR MG 3.500 . 4.000 4.088 4.019 4.264 0.264 7 0 "[ . 1 . 2]" 1
358 1 37 THR HA 1 38 CYS H 2.500 . 3.000 2.144 2.093 2.214 . 0 0 "[ . 1 . 2]" 1
359 1 37 THR HB 1 38 CYS H 4.000 . 5.000 4.250 4.118 4.584 . 0 0 "[ . 1 . 2]" 1
360 1 37 THR MG 1 38 CYS H 4.000 . 5.000 4.144 3.214 4.323 . 0 0 "[ . 1 . 2]" 1
361 1 38 CYS HA 1 39 ALA H 3.000 . 3.500 2.558 2.275 2.938 . 0 0 "[ . 1 . 2]" 1
362 1 38 CYS HB3 1 39 ALA H 4.000 . 5.000 2.754 2.228 3.517 . 0 0 "[ . 1 . 2]" 1
363 1 38 CYS HB2 1 39 ALA H 3.500 . 4.000 3.030 2.018 3.551 . 0 0 "[ . 1 . 2]" 1
364 1 38 CYS HA 1 39 ALA MB 4.000 . 5.000 4.057 3.882 4.282 . 0 0 "[ . 1 . 2]" 1
365 1 39 ALA HA 1 40 GLU HA 4.000 . 5.000 4.254 4.084 4.398 . 0 0 "[ . 1 . 2]" 1
366 1 39 ALA HA 1 40 GLU QG 4.000 . 5.000 4.224 3.734 5.197 0.197 10 0 "[ . 1 . 2]" 1
367 1 39 ALA MB 1 40 GLU HB3 4.500 . 5.500 4.859 4.095 5.127 . 0 0 "[ . 1 . 2]" 1
368 1 39 ALA MB 1 40 GLU HB2 4.500 . 5.500 4.166 3.493 5.473 . 0 0 "[ . 1 . 2]" 1
369 1 39 ALA MB 1 40 GLU HA 4.500 . 5.500 4.302 4.183 4.377 . 0 0 "[ . 1 . 2]" 1
370 1 39 ALA HA 1 40 GLU H 3.000 . 3.500 2.465 2.272 2.846 . 0 0 "[ . 1 . 2]" 1
371 1 39 ALA MB 1 40 GLU H 3.500 . 4.000 2.300 1.872 2.738 . 0 0 "[ . 1 . 2]" 1
372 1 40 GLU HA 1 41 GLU H 4.000 . 5.000 3.471 3.265 3.544 . 0 0 "[ . 1 . 2]" 1
373 1 40 GLU HB3 1 41 GLU H 3.500 . 4.000 3.756 2.924 4.145 0.145 16 0 "[ . 1 . 2]" 1
374 1 40 GLU H 1 41 GLU H 4.000 . 5.000 2.753 2.275 2.929 . 0 0 "[ . 1 . 2]" 1
375 1 41 GLU HA 1 42 GLN H 4.000 . 5.000 3.477 3.369 3.558 . 0 0 "[ . 1 . 2]" 1
376 1 41 GLU QG 1 42 GLN HE21 4.000 . 5.000 3.750 2.767 5.020 0.020 2 0 "[ . 1 . 2]" 1
377 1 41 GLU QG 1 42 GLN HE22 4.000 . 5.000 4.735 2.629 5.097 0.097 17 0 "[ . 1 . 2]" 1
378 1 41 GLU QG 1 42 GLN H 3.500 . 4.000 2.800 1.791 4.036 0.036 17 0 "[ . 1 . 2]" 1
379 1 41 GLU H 1 42 GLN H 3.500 . 4.000 2.616 2.171 2.930 . 0 0 "[ . 1 . 2]" 1
380 1 42 GLN HA 1 43 THR H 3.000 . 3.500 2.409 2.082 2.776 . 0 0 "[ . 1 . 2]" 1
381 1 42 GLN HB3 1 43 THR H 4.000 . 5.000 4.171 3.292 4.568 . 0 0 "[ . 1 . 2]" 1
382 1 43 THR HA 1 44 ARG H 3.000 . 3.500 3.053 2.879 3.198 . 0 0 "[ . 1 . 2]" 1
383 1 42 GLN H 1 43 THR MG 4.500 . 5.500 4.320 3.960 4.892 . 0 0 "[ . 1 . 2]" 1
384 1 43 THR H 1 44 ARG H 3.500 . 4.000 2.802 1.806 3.189 . 0 0 "[ . 1 . 2]" 1
385 1 44 ARG HA 1 45 CYS H 3.500 . 4.000 2.701 2.593 2.800 . 0 0 "[ . 1 . 2]" 1
386 1 44 ARG HB3 1 45 CYS H 4.000 . 5.000 2.150 1.747 2.908 0.053 9 0 "[ . 1 . 2]" 1
387 1 44 ARG HB2 1 45 CYS H 4.000 . 5.000 3.271 2.571 3.770 . 0 0 "[ . 1 . 2]" 1
388 1 45 CYS HA 1 46 LEU H 3.000 . 3.500 2.240 2.162 2.398 . 0 0 "[ . 1 . 2]" 1
389 1 45 CYS HB2 1 46 LEU H 4.000 . 5.000 3.932 3.661 4.200 . 0 0 "[ . 1 . 2]" 1
390 1 46 LEU HA 1 47 PHE H 3.000 . 3.500 2.154 2.113 2.202 . 0 0 "[ . 1 . 2]" 1
391 1 46 LEU QB 1 47 PHE H 4.000 . 5.000 3.722 3.500 3.835 . 0 0 "[ . 1 . 2]" 1
392 1 46 LEU MD1 1 47 PHE H 4.500 . 5.500 4.299 3.131 4.879 . 0 0 "[ . 1 . 2]" 1
393 1 46 LEU MD2 1 47 PHE H 3.500 . 4.000 2.170 1.995 2.727 . 0 0 "[ . 1 . 2]" 1
394 1 46 LEU HG 1 47 PHE H 4.000 . 5.000 4.427 3.968 4.815 . 0 0 "[ . 1 . 2]" 1
395 1 47 PHE HA 1 48 VAL H 2.500 . 3.000 2.164 2.107 2.249 . 0 0 "[ . 1 . 2]" 1
396 1 47 PHE QB 1 48 VAL H 4.000 . 5.000 3.858 3.737 4.013 . 0 0 "[ . 1 . 2]" 1
397 1 47 PHE QD 1 48 VAL H 4.500 . 5.500 3.357 2.269 4.166 . 0 0 "[ . 1 . 2]" 1
398 1 47 PHE QD 1 48 VAL HA 4.500 . 5.500 4.289 3.943 4.666 . 0 0 "[ . 1 . 2]" 1
399 1 48 VAL MG1 1 49 GLN HA 4.500 . 5.500 4.029 3.925 4.163 . 0 0 "[ . 1 . 2]" 1
400 1 47 PHE HA 1 48 VAL MG2 4.500 . 5.500 3.714 3.481 3.892 . 0 0 "[ . 1 . 2]" 1
401 1 48 VAL HA 1 49 GLN H 2.500 . 3.000 2.254 2.165 2.308 . 0 0 "[ . 1 . 2]" 1
402 1 48 VAL HB 1 49 GLN H 4.000 . 5.000 3.940 3.856 4.074 . 0 0 "[ . 1 . 2]" 1
403 1 48 VAL MG1 1 49 GLN H 3.500 . 4.000 2.363 2.242 2.621 . 0 0 "[ . 1 . 2]" 1
404 1 49 GLN HA 1 50 LEU H 2.500 . 3.000 2.203 2.114 2.260 . 0 0 "[ . 1 . 2]" 1
405 1 49 GLN QB 1 50 LEU H 4.000 . 5.000 2.963 2.682 3.803 . 0 0 "[ . 1 . 2]" 1
406 1 49 GLN HG3 1 50 LEU H 4.000 . 5.000 4.834 3.502 5.194 0.194 2 0 "[ . 1 . 2]" 1
407 1 50 LEU HA 1 51 PRO HD2 3.500 . 4.000 2.919 2.617 3.140 . 0 0 "[ . 1 . 2]" 1
408 1 50 LEU QB 1 51 PRO HD2 3.000 . 3.500 2.490 2.137 2.860 . 0 0 "[ . 1 . 2]" 1
409 1 50 LEU MD1 1 51 PRO HD2 4.500 . 5.500 2.766 2.324 3.382 . 0 0 "[ . 1 . 2]" 1
410 1 50 LEU MD2 1 51 PRO HD2 4.500 . 5.500 4.760 4.477 5.000 . 0 0 "[ . 1 . 2]" 1
411 1 50 LEU HG 1 51 PRO HD2 4.000 . 5.000 4.356 3.922 4.762 . 0 0 "[ . 1 . 2]" 1
412 1 50 LEU HA 1 51 PRO HD3 3.000 . 3.500 1.945 1.785 2.167 0.015 6 0 "[ . 1 . 2]" 1
413 1 50 LEU HA 1 51 PRO HG3 4.000 . 5.000 4.029 3.829 4.404 . 0 0 "[ . 1 . 2]" 1
414 1 50 LEU HA 1 51 PRO HG2 4.000 . 5.000 4.543 4.413 4.674 . 0 0 "[ . 1 . 2]" 1
415 1 50 LEU QB 1 51 PRO HD3 4.000 . 5.000 3.122 2.767 3.462 . 0 0 "[ . 1 . 2]" 1
416 1 50 LEU MD1 1 51 PRO HD3 4.500 . 5.500 2.664 2.290 3.033 . 0 0 "[ . 1 . 2]" 1
417 1 50 LEU MD2 1 51 PRO HD3 4.500 . 5.500 4.421 4.036 4.870 . 0 0 "[ . 1 . 2]" 1
418 1 50 LEU HG 1 51 PRO HD3 4.000 . 5.000 4.786 4.471 5.031 0.031 15 0 "[ . 1 . 2]" 1
419 1 51 PRO HD2 1 52 TYR QE 4.500 . 5.500 3.266 2.272 5.522 0.022 4 0 "[ . 1 . 2]" 1
420 1 51 PRO HB3 1 52 TYR QD 4.500 . 5.500 4.739 4.026 5.456 . 0 0 "[ . 1 . 2]" 1
421 1 51 PRO HB3 1 52 TYR QE 4.500 . 5.500 5.051 3.938 5.525 0.025 14 0 "[ . 1 . 2]" 1
422 1 51 PRO HG3 1 52 TYR QE 4.500 . 5.500 4.741 3.739 5.507 0.007 4 0 "[ . 1 . 2]" 1
423 1 51 PRO HG2 1 52 TYR QE 4.500 . 5.500 3.361 2.493 4.456 . 0 0 "[ . 1 . 2]" 1
424 1 51 PRO HA 1 52 TYR H 4.000 . 5.000 3.153 2.929 3.493 . 0 0 "[ . 1 . 2]" 1
425 1 51 PRO HB3 1 52 TYR H 4.000 . 5.000 4.597 4.244 4.691 . 0 0 "[ . 1 . 2]" 1
426 1 51 PRO HB2 1 52 TYR H 4.000 . 5.000 3.940 3.048 4.332 . 0 0 "[ . 1 . 2]" 1
427 1 51 PRO HD2 1 52 TYR H 4.000 . 5.000 3.222 2.616 3.858 . 0 0 "[ . 1 . 2]" 1
428 1 52 TYR HA 1 53 SER H 3.500 . 4.000 3.431 3.070 3.565 . 0 0 "[ . 1 . 2]" 1
429 1 52 TYR H 1 53 SER H 3.000 . 3.500 1.988 1.786 2.432 0.014 17 0 "[ . 1 . 2]" 1
430 1 52 TYR HB2 1 53 SER H 4.000 . 5.000 3.128 2.102 4.370 . 0 0 "[ . 1 . 2]" 1
431 1 53 SER HA 1 54 GLU H 3.000 . 3.500 2.756 2.215 2.929 . 0 0 "[ . 1 . 2]" 1
432 1 53 SER HB3 1 54 GLU H 3.500 . 4.000 2.550 1.799 3.873 0.001 6 0 "[ . 1 . 2]" 1
433 1 53 SER HB2 1 54 GLU H 3.500 . 4.000 2.728 1.778 4.095 0.095 13 0 "[ . 1 . 2]" 1
434 1 54 GLU HA 1 55 ILE H 3.000 . 3.500 2.309 2.222 2.409 . 0 0 "[ . 1 . 2]" 1
435 1 54 GLU QB 1 55 ILE H 3.000 . 3.500 2.670 2.453 3.014 . 0 0 "[ . 1 . 2]" 1
436 1 54 GLU QG 1 55 ILE H 4.000 . 5.000 4.019 3.527 4.531 . 0 0 "[ . 1 . 2]" 1
437 1 55 ILE HA 1 56 GLN H 2.500 . 3.000 2.233 2.145 2.341 . 0 0 "[ . 1 . 2]" 1
438 1 55 ILE HG13 1 56 GLN H 4.000 . 5.000 5.025 4.893 5.093 0.093 5 0 "[ . 1 . 2]" 1
439 1 55 ILE MG 1 56 GLN H 4.000 . 5.000 2.394 2.110 3.014 . 0 0 "[ . 1 . 2]" 1
440 1 55 ILE MG 1 56 GLN HA 4.500 . 5.500 3.301 3.088 3.635 . 0 0 "[ . 1 . 2]" 1
441 1 61 VAL MG1 1 62 GLN HA 4.000 . 5.000 3.474 3.138 3.765 . 0 0 "[ . 1 . 2]" 1
442 1 61 VAL MG1 1 62 GLN HB3 4.500 . 5.500 4.992 4.382 5.387 . 0 0 "[ . 1 . 2]" 1
443 1 56 GLN HA 1 57 GLU H 3.000 . 3.500 2.150 2.105 2.171 . 0 0 "[ . 1 . 2]" 1
444 1 57 GLU HA 1 58 CYS H 3.000 . 3.500 2.395 2.248 2.645 . 0 0 "[ . 1 . 2]" 1
445 1 57 GLU HB2 1 58 CYS H 4.000 . 5.000 2.872 2.167 3.724 . 0 0 "[ . 1 . 2]" 1
446 1 57 GLU HG3 1 58 CYS H 4.000 . 5.000 4.118 2.432 5.003 0.003 4 0 "[ . 1 . 2]" 1
447 1 57 GLU HG2 1 58 CYS H 4.000 . 5.000 4.726 3.774 5.040 0.040 3 0 "[ . 1 . 2]" 1
448 1 58 CYS HA 1 59 LYS H 3.000 . 3.500 2.235 2.113 2.333 . 0 0 "[ . 1 . 2]" 1
449 1 58 CYS HB3 1 59 LYS H 4.000 . 5.000 3.131 2.785 3.878 . 0 0 "[ . 1 . 2]" 1
450 1 58 CYS HB2 1 59 LYS H 4.000 . 5.000 3.891 3.007 4.346 . 0 0 "[ . 1 . 2]" 1
451 1 59 LYS HD3 1 60 THR H 4.000 . 5.000 3.748 2.290 5.167 0.167 18 0 "[ . 1 . 2]" 1
452 1 60 THR HA 1 61 VAL H 3.000 . 3.500 2.313 2.190 2.459 . 0 0 "[ . 1 . 2]" 1
453 1 60 THR MG 1 61 VAL H 4.500 . 5.500 3.944 2.420 4.250 . 0 0 "[ . 1 . 2]" 1
454 1 61 VAL HA 1 62 GLN H 4.000 . 5.000 3.573 3.522 3.635 . 0 0 "[ . 1 . 2]" 1
455 1 61 VAL HB 1 62 GLN H 2.500 . 3.000 2.509 1.947 2.851 . 0 0 "[ . 1 . 2]" 1
456 1 61 VAL QG 1 62 GLN H 4.000 . 5.000 3.170 2.881 3.353 . 0 0 "[ . 1 . 2]" 1
457 1 61 VAL H 1 62 GLN H 4.000 . 5.000 3.022 2.830 3.286 . 0 0 "[ . 1 . 2]" 1
458 1 62 GLN HB2 1 63 GLN H 3.500 . 4.000 3.822 3.654 4.007 0.007 19 0 "[ . 1 . 2]" 1
459 1 62 GLN H 1 63 GLN H 3.500 . 4.000 2.727 2.488 2.997 . 0 0 "[ . 1 . 2]" 1
460 1 63 GLN HA 1 64 CYS H 3.500 . 4.000 3.510 3.456 3.547 . 0 0 "[ . 1 . 2]" 1
461 1 63 GLN H 1 64 CYS H 3.500 . 4.000 2.636 2.356 2.935 . 0 0 "[ . 1 . 2]" 1
462 1 64 CYS HA 1 65 ALA H 4.000 . 5.000 3.542 3.493 3.597 . 0 0 "[ . 1 . 2]" 1
463 1 64 CYS HB3 1 65 ALA H 4.000 . 5.000 3.276 2.788 3.754 . 0 0 "[ . 1 . 2]" 1
464 1 64 CYS HB2 1 65 ALA H 4.000 . 5.000 3.904 3.747 4.074 . 0 0 "[ . 1 . 2]" 1
465 1 64 CYS H 1 65 ALA H 3.500 . 4.000 2.546 2.378 2.798 . 0 0 "[ . 1 . 2]" 1
466 1 64 CYS H 1 65 ALA MB 4.500 . 5.500 4.254 4.145 4.435 . 0 0 "[ . 1 . 2]" 1
467 1 65 ALA MB 1 66 GLU H 3.500 . 4.000 2.449 2.322 2.559 . 0 0 "[ . 1 . 2]" 1
468 1 65 ALA MB 1 66 GLU HG2 4.500 . 5.500 4.161 3.367 4.540 . 0 0 "[ . 1 . 2]" 1
469 1 65 ALA MB 1 66 GLU HG3 4.500 . 5.500 4.191 3.239 5.589 0.089 1 0 "[ . 1 . 2]" 1
470 1 66 GLU HA 1 67 VAL H 4.000 . 5.000 3.564 3.539 3.600 . 0 0 "[ . 1 . 2]" 1
471 1 66 GLU HB2 1 67 VAL H 3.500 . 4.000 2.514 2.103 3.851 . 0 0 "[ . 1 . 2]" 1
472 1 65 ALA H 1 66 GLU H 2.500 . 3.000 2.559 2.316 2.875 . 0 0 "[ . 1 . 2]" 1
473 1 66 GLU H 1 67 VAL H 2.500 . 3.000 2.961 2.829 3.045 0.045 19 0 "[ . 1 . 2]" 1
474 1 66 GLU H 1 67 VAL MG2 4.500 . 5.500 3.948 3.656 4.208 . 0 0 "[ . 1 . 2]" 1
475 1 67 VAL MG2 1 68 LEU H 4.500 . 5.500 2.137 2.038 2.406 . 0 0 "[ . 1 . 2]" 1
476 1 67 VAL H 1 68 LEU H 3.500 . 4.000 2.787 2.700 2.877 . 0 0 "[ . 1 . 2]" 1
477 1 67 VAL MG1 1 68 LEU HA 4.500 . 5.500 5.467 5.425 5.500 . 0 0 "[ . 1 . 2]" 1
478 1 68 LEU HB3 1 69 GLU HA 4.000 . 5.000 3.961 3.725 4.530 . 0 0 "[ . 1 . 2]" 1
479 1 68 LEU MD1 1 69 GLU HA 4.500 . 5.500 4.135 3.348 5.543 0.043 19 0 "[ . 1 . 2]" 1
480 1 68 LEU HB3 1 69 GLU H 3.500 . 4.000 2.372 2.285 2.519 . 0 0 "[ . 1 . 2]" 1
481 1 68 LEU HB2 1 69 GLU H 4.000 . 5.000 3.518 3.180 3.898 . 0 0 "[ . 1 . 2]" 1
482 1 68 LEU QD 1 69 GLU H 5.000 . 6.000 3.717 3.533 3.987 . 0 0 "[ . 1 . 2]" 1
483 1 68 LEU H 1 69 GLU H 4.000 . 5.000 2.853 2.535 3.004 . 0 0 "[ . 1 . 2]" 1
484 1 69 GLU HA 1 70 GLU H 4.000 . 5.000 3.473 3.445 3.511 . 0 0 "[ . 1 . 2]" 1
485 1 69 GLU H 1 70 GLU H 3.000 . 3.500 2.661 2.500 2.812 . 0 0 "[ . 1 . 2]" 1
486 1 69 GLU HA 1 70 GLU HG2 4.000 . 5.000 5.228 5.202 5.246 0.246 13 0 "[ . 1 . 2]" 1
487 1 70 GLU QB 1 71 VAL MG1 4.000 . 5.000 3.786 3.712 3.901 . 0 0 "[ . 1 . 2]" 1
488 1 70 GLU QB 1 71 VAL MG2 4.500 . 5.500 4.617 4.548 4.677 . 0 0 "[ . 1 . 2]" 1
489 1 70 GLU HG3 1 71 VAL MG1 4.000 . 5.000 1.953 1.850 2.097 . 0 0 "[ . 1 . 2]" 1
490 1 70 GLU HG2 1 71 VAL MG1 4.500 . 5.500 3.060 2.975 3.167 . 0 0 "[ . 1 . 2]" 1
491 1 70 GLU QB 1 71 VAL HA 4.000 . 5.000 4.384 4.338 4.455 . 0 0 "[ . 1 . 2]" 1
492 1 70 GLU HG3 1 71 VAL HA 4.000 . 5.000 3.332 3.293 3.383 . 0 0 "[ . 1 . 2]" 1
493 1 70 GLU H 1 71 VAL H 3.500 . 4.000 2.622 2.504 2.733 . 0 0 "[ . 1 . 2]" 1
494 1 70 GLU H 1 71 VAL QG 5.000 . 6.000 3.510 3.396 3.618 . 0 0 "[ . 1 . 2]" 1
495 1 71 VAL HB 1 72 THR H 4.000 . 5.000 3.783 3.687 4.005 . 0 0 "[ . 1 . 2]" 1
496 1 70 GLU QB 1 71 VAL H 3.000 . 3.500 3.266 3.236 3.303 . 0 0 "[ . 1 . 2]" 1
497 1 71 VAL QG 1 72 THR H 4.500 . 5.500 2.155 2.043 2.446 . 0 0 "[ . 1 . 2]" 1
498 1 71 VAL H 1 72 THR H 3.500 . 4.000 2.713 2.633 2.786 . 0 0 "[ . 1 . 2]" 1
499 1 71 VAL QG 1 72 THR HA 5.000 . 6.000 3.247 3.164 3.425 . 0 0 "[ . 1 . 2]" 1
500 1 72 THR MG 1 73 ALA HA 4.500 . 5.500 4.353 3.611 5.508 0.008 9 0 "[ . 1 . 2]" 1
501 1 72 THR HB 1 73 ALA H 3.500 . 4.000 3.199 2.765 3.868 . 0 0 "[ . 1 . 2]" 1
502 1 72 THR MG 1 73 ALA H 4.500 . 5.500 3.784 3.493 4.132 . 0 0 "[ . 1 . 2]" 1
503 1 72 THR H 1 73 ALA H 3.500 . 4.000 2.695 2.402 2.794 . 0 0 "[ . 1 . 2]" 1
504 1 73 ALA HA 1 74 ILE H 3.500 . 4.000 3.429 3.404 3.452 . 0 0 "[ . 1 . 2]" 1
505 1 72 THR H 1 73 ALA MB 4.500 . 5.500 4.356 4.081 4.443 . 0 0 "[ . 1 . 2]" 1
506 1 73 ALA H 1 74 ILE H 3.500 . 4.000 2.683 2.573 2.793 . 0 0 "[ . 1 . 2]" 1
507 1 73 ALA MB 1 74 ILE MD 5.000 . 6.000 4.440 4.295 4.563 . 0 0 "[ . 1 . 2]" 1
508 1 73 ALA MB 1 74 ILE MG 5.000 . 6.000 4.941 4.858 5.035 . 0 0 "[ . 1 . 2]" 1
509 1 74 ILE HA 1 75 GLY H 4.000 . 5.000 3.388 3.333 3.451 . 0 0 "[ . 1 . 2]" 1
510 1 74 ILE HB 1 75 GLY H 4.000 . 5.000 3.235 3.013 3.381 . 0 0 "[ . 1 . 2]" 1
511 1 74 ILE HG12 1 75 GLY H 4.000 . 5.000 4.991 4.921 5.022 0.022 18 0 "[ . 1 . 2]" 1
512 1 74 ILE MG 1 75 GLY H 4.500 . 5.500 4.058 3.867 4.149 . 0 0 "[ . 1 . 2]" 1
513 1 74 ILE H 1 75 GLY H 3.000 . 3.500 2.302 2.184 2.386 . 0 0 "[ . 1 . 2]" 1
514 1 75 GLY HA3 1 76 TYR H 4.000 . 5.000 3.341 3.299 3.382 . 0 0 "[ . 1 . 2]" 1
515 1 75 GLY HA2 1 76 TYR H 3.500 . 4.000 3.222 3.166 3.276 . 0 0 "[ . 1 . 2]" 1
516 1 75 GLY H 1 76 TYR H 3.000 . 3.500 2.312 2.131 2.395 . 0 0 "[ . 1 . 2]" 1
517 1 76 TYR HA 1 77 PRO HD3 3.500 . 4.000 2.020 1.857 2.205 . 0 0 "[ . 1 . 2]" 1
518 1 76 TYR HB2 1 77 PRO HD3 4.000 . 5.000 4.805 4.691 4.894 . 0 0 "[ . 1 . 2]" 1
519 1 76 TYR HB2 1 77 PRO HD2 4.000 . 5.000 4.818 4.491 4.967 . 0 0 "[ . 1 . 2]" 1
520 1 76 TYR QD 1 77 PRO HD3 4.500 . 5.500 3.982 3.443 4.422 . 0 0 "[ . 1 . 2]" 1
521 1 76 TYR QD 1 77 PRO HD2 4.500 . 5.500 3.443 2.778 3.865 . 0 0 "[ . 1 . 2]" 1
522 1 76 TYR HA 1 77 PRO HD2 3.000 . 3.500 2.409 2.262 2.570 . 0 0 "[ . 1 . 2]" 1
523 1 76 TYR HA 1 77 PRO HG3 4.000 . 5.000 4.192 4.032 4.350 . 0 0 "[ . 1 . 2]" 1
524 1 76 TYR HA 1 77 PRO HG2 4.000 . 5.000 4.368 4.288 4.423 . 0 0 "[ . 1 . 2]" 1
525 1 77 PRO HA 1 78 ALA MB 4.500 . 5.500 4.048 3.945 4.105 . 0 0 "[ . 1 . 2]" 1
526 1 77 PRO HA 1 78 ALA H 2.500 . 3.000 2.201 2.160 2.269 . 0 0 "[ . 1 . 2]" 1
527 1 77 PRO HB3 1 78 ALA H 4.000 . 5.000 3.738 3.517 3.870 . 0 0 "[ . 1 . 2]" 1
528 1 77 PRO HB2 1 78 ALA H 4.000 . 5.000 4.059 3.885 4.194 . 0 0 "[ . 1 . 2]" 1
529 1 77 PRO HG3 1 78 ALA H 4.000 . 5.000 5.037 5.006 5.069 0.069 15 0 "[ . 1 . 2]" 1
530 1 78 ALA HA 1 79 LYS H 2.500 . 3.000 2.305 2.235 2.385 . 0 0 "[ . 1 . 2]" 1
531 1 78 ALA MB 1 79 LYS H 3.500 . 4.000 2.563 2.346 2.762 . 0 0 "[ . 1 . 2]" 1
532 1 78 ALA HA 1 79 LYS HG2 3.500 . 4.000 3.523 3.198 4.033 0.033 6 0 "[ . 1 . 2]" 1
533 1 78 ALA MB 1 79 LYS HA 4.000 . 5.000 3.887 3.666 4.035 . 0 0 "[ . 1 . 2]" 1
534 1 79 LYS HA 1 80 CYS H 2.500 . 3.000 2.229 2.096 2.304 . 0 0 "[ . 1 . 2]" 1
535 1 78 ALA H 1 79 LYS H 4.000 . 5.000 4.467 4.381 4.511 . 0 0 "[ . 1 . 2]" 1
536 1 80 CYS HA 1 81 CYS H 3.000 . 3.500 2.227 2.091 2.363 . 0 0 "[ . 1 . 2]" 1
537 1 80 CYS HB3 1 81 CYS H 4.000 . 5.000 4.272 3.812 4.591 . 0 0 "[ . 1 . 2]" 1
538 1 81 CYS HA 1 82 CYS H 4.000 . 5.000 2.541 2.392 2.687 . 0 0 "[ . 1 . 2]" 1
539 1 81 CYS HB3 1 82 CYS H 4.000 . 5.000 3.578 3.388 3.775 . 0 0 "[ . 1 . 2]" 1
540 1 82 CYS HA 1 83 GLU H 4.000 . 5.000 2.127 2.077 2.173 . 0 0 "[ . 1 . 2]" 1
541 1 82 CYS HB2 1 83 GLU H 4.000 . 5.000 4.230 3.758 4.514 . 0 0 "[ . 1 . 2]" 1
542 1 82 CYS H 1 83 GLU H 4.000 . 5.000 3.880 3.677 4.008 . 0 0 "[ . 1 . 2]" 1
543 1 83 GLU HA 1 84 ASP H 2.500 . 3.000 2.453 2.305 2.716 . 0 0 "[ . 1 . 2]" 1
544 1 83 GLU HB2 1 84 ASP H 3.500 . 4.000 3.916 2.810 4.075 0.075 13 0 "[ . 1 . 2]" 1
545 1 84 ASP HA 1 85 LEU H 3.000 . 3.500 2.126 2.077 2.178 . 0 0 "[ . 1 . 2]" 1
546 1 84 ASP HB3 1 85 LEU H 4.000 . 5.000 3.042 2.840 4.211 . 0 0 "[ . 1 . 2]" 1
547 1 84 ASP H 1 85 LEU H 4.000 . 5.000 4.483 4.281 4.558 . 0 0 "[ . 1 . 2]" 1
548 1 84 ASP HB3 1 85 LEU MD2 4.500 . 5.500 1.909 1.713 4.969 0.087 8 0 "[ . 1 . 2]" 1
549 1 84 ASP HB3 1 85 LEU HG 3.500 . 4.000 4.163 3.841 4.257 0.257 8 0 "[ . 1 . 2]" 1
550 1 84 ASP HB2 1 85 LEU MD2 4.500 . 5.500 2.321 2.113 5.501 0.001 14 0 "[ . 1 . 2]" 1
551 1 84 ASP HB2 1 85 LEU HG 4.000 . 5.000 5.123 4.915 5.179 0.179 13 0 "[ . 1 . 2]" 1
552 1 85 LEU HA 1 86 CYS H 4.000 . 5.000 3.151 2.985 3.284 . 0 0 "[ . 1 . 2]" 1
553 1 85 LEU H 1 86 CYS H 4.000 . 5.000 2.733 2.551 2.878 . 0 0 "[ . 1 . 2]" 1
554 1 86 CYS H 1 87 ASN H 4.000 . 5.000 2.858 2.742 3.146 . 0 0 "[ . 1 . 2]" 1
555 1 87 ASN HA 1 88 ARG H 3.500 . 4.000 2.746 2.152 3.548 . 0 0 "[ . 1 . 2]" 1
556 1 87 ASN H 1 88 ARG H 4.000 . 5.000 3.174 2.572 4.499 . 0 0 "[ . 1 . 2]" 1
557 1 88 ARG HB3 1 89 SER H 4.000 . 5.000 3.681 2.617 4.240 . 0 0 "[ . 1 . 2]" 1
558 1 88 ARG HB2 1 89 SER H 3.500 . 4.000 3.308 1.766 4.091 0.091 11 0 "[ . 1 . 2]" 1
559 1 88 ARG HG3 1 89 SER H 4.000 . 5.000 3.738 2.169 4.993 . 0 0 "[ . 1 . 2]" 1
560 1 89 SER HA 1 90 GLU H 3.000 . 3.500 2.366 2.112 3.536 0.036 1 0 "[ . 1 . 2]" 1
561 1 88 ARG H 1 89 SER H 4.000 . 5.000 4.064 2.170 4.624 . 0 0 "[ . 1 . 2]" 1
562 1 90 GLU HA 1 91 GLN H 3.500 . 4.000 3.284 2.313 3.560 . 0 0 "[ . 1 . 2]" 1
563 1 90 GLU H 1 91 GLN H 4.000 . 5.000 2.678 2.018 3.342 . 0 0 "[ . 1 . 2]" 1
564 1 28 ARG HA 1 33 ARG HA 3.000 . 3.500 2.490 1.775 3.518 0.025 5 0 "[ . 1 . 2]" 1
565 1 28 ARG QD 1 33 ARG HA 4.000 . 5.000 4.045 2.635 5.070 0.070 17 0 "[ . 1 . 2]" 1
566 1 29 ASN H 1 32 ASP H 4.000 . 5.000 4.115 3.140 4.993 . 0 0 "[ . 1 . 2]" 1
567 1 29 ASN H 1 33 ARG HA 4.000 . 5.000 3.387 2.777 5.002 0.002 1 0 "[ . 1 . 2]" 1
568 1 28 ARG QG 1 33 ARG HA 4.000 . 5.000 3.888 2.650 5.084 0.084 3 0 "[ . 1 . 2]" 1
569 1 38 CYS HB3 1 42 GLN HB3 3.500 . 4.000 3.747 3.061 4.050 0.050 1 0 "[ . 1 . 2]" 1
570 1 38 CYS HB2 1 42 GLN HB3 4.000 . 5.000 3.706 2.617 4.681 . 0 0 "[ . 1 . 2]" 1
571 1 38 CYS HB3 1 42 GLN HB2 3.000 . 3.500 2.971 2.230 3.548 0.048 13 0 "[ . 1 . 2]" 1
572 1 38 CYS HB2 1 42 GLN HB2 3.000 . 3.500 2.732 1.803 3.583 0.083 2 0 "[ . 1 . 2]" 1
573 1 39 ALA MB 1 42 GLN HG3 4.000 . 5.000 3.470 1.955 4.800 . 0 0 "[ . 1 . 2]" 1
574 1 39 ALA MB 1 42 GLN HG2 4.000 . 5.000 4.496 3.250 5.103 0.103 10 0 "[ . 1 . 2]" 1
575 1 39 ALA MB 1 41 GLU H 4.500 . 5.500 2.714 2.364 3.088 . 0 0 "[ . 1 . 2]" 1
576 1 39 ALA MB 1 42 GLN HE21 4.500 . 5.500 3.678 1.979 5.253 . 0 0 "[ . 1 . 2]" 1
577 1 39 ALA MB 1 42 GLN HE22 4.500 . 5.500 4.380 2.464 5.579 0.079 4 0 "[ . 1 . 2]" 1
578 1 39 ALA MB 1 42 GLN H 4.500 . 5.500 3.247 2.957 3.680 . 0 0 "[ . 1 . 2]" 1
579 1 39 ALA H 1 42 GLN HB3 4.000 . 5.000 4.649 3.902 5.035 0.035 14 0 "[ . 1 . 2]" 1
580 1 39 ALA H 1 42 GLN HB2 4.000 . 5.000 3.140 2.645 3.677 . 0 0 "[ . 1 . 2]" 1
581 1 40 GLU HA 1 42 GLN H 4.000 . 5.000 3.891 3.381 4.463 . 0 0 "[ . 1 . 2]" 1
582 1 41 GLU HA 1 43 THR MG 4.500 . 5.500 4.676 3.695 5.331 . 0 0 "[ . 1 . 2]" 1
583 1 42 GLN HA 1 44 ARG H 4.000 . 5.000 3.260 2.873 3.654 . 0 0 "[ . 1 . 2]" 1
584 1 46 LEU HG 1 48 VAL MG2 3.500 . 4.000 4.100 4.035 4.219 0.219 8 0 "[ . 1 . 2]" 1
585 1 47 PHE QE 1 49 GLN HA 4.500 . 5.500 3.820 2.992 4.370 . 0 0 "[ . 1 . 2]" 1
586 1 47 PHE HZ 1 49 GLN HA 4.500 . 5.500 3.926 3.253 4.553 . 0 0 "[ . 1 . 2]" 1
587 1 47 PHE QE 1 49 GLN HB3 4.500 . 5.500 4.451 2.913 5.322 . 0 0 "[ . 1 . 2]" 1
588 1 47 PHE QE 1 49 GLN HB2 4.500 . 5.500 4.950 2.220 5.647 0.147 7 0 "[ . 1 . 2]" 1
589 1 47 PHE QE 1 49 GLN HG3 4.500 . 5.500 4.830 4.272 5.481 . 0 0 "[ . 1 . 2]" 1
590 1 47 PHE QE 1 49 GLN HG2 4.500 . 5.500 4.373 3.405 5.364 . 0 0 "[ . 1 . 2]" 1
591 1 47 PHE HZ 1 49 GLN HB3 4.500 . 5.500 4.663 3.002 5.538 0.038 3 0 "[ . 1 . 2]" 1
592 1 47 PHE HZ 1 49 GLN HG3 4.500 . 5.500 5.472 5.106 5.662 0.162 14 0 "[ . 1 . 2]" 1
593 1 47 PHE HZ 1 49 GLN HG2 4.500 . 5.500 5.269 4.245 5.661 0.161 4 0 "[ . 1 . 2]" 1
594 1 47 PHE QE 1 49 GLN H 4.500 . 5.500 4.850 4.230 5.240 . 0 0 "[ . 1 . 2]" 1
595 1 48 VAL HB 1 50 LEU MD2 4.500 . 5.500 2.606 2.328 2.959 . 0 0 "[ . 1 . 2]" 1
596 1 48 VAL MG1 1 50 LEU MD1 4.000 . 5.000 3.006 2.259 3.595 . 0 0 "[ . 1 . 2]" 1
597 1 48 VAL MG1 1 50 LEU HG 4.000 . 5.000 4.627 4.064 5.020 0.020 11 0 "[ . 1 . 2]" 1
598 1 48 VAL MG1 1 50 LEU HA 4.500 . 5.500 4.271 4.048 4.468 . 0 0 "[ . 1 . 2]" 1
599 1 49 GLN HA 1 54 GLU HA 3.500 . 4.000 3.492 2.854 3.821 . 0 0 "[ . 1 . 2]" 1
600 1 49 GLN HA 1 54 GLU QB 4.000 . 5.000 3.546 2.685 4.436 . 0 0 "[ . 1 . 2]" 1
601 1 50 LEU MD2 1 53 SER HB3 4.500 . 5.500 4.965 3.947 5.546 0.046 19 0 "[ . 1 . 2]" 1
602 1 50 LEU MD2 1 53 SER HB2 4.500 . 5.500 4.290 3.373 5.646 0.146 13 0 "[ . 1 . 2]" 1
603 1 50 LEU MD2 1 54 GLU HA 4.500 . 5.500 2.044 1.789 2.421 0.011 5 0 "[ . 1 . 2]" 1
604 1 50 LEU MD2 1 55 ILE HA 4.500 . 5.500 3.876 3.739 4.117 . 0 0 "[ . 1 . 2]" 1
605 1 50 LEU HG 1 54 GLU HA 3.500 . 4.000 4.066 4.016 4.151 0.151 9 0 "[ . 1 . 2]" 1
606 1 50 LEU MD2 1 55 ILE HB 4.500 . 5.500 3.211 2.867 3.572 . 0 0 "[ . 1 . 2]" 1
607 1 50 LEU MD2 1 55 ILE HG13 3.500 . 4.000 2.362 1.721 3.148 0.079 19 0 "[ . 1 . 2]" 1
608 1 50 LEU MD2 1 55 ILE HG12 3.500 . 4.000 2.459 1.723 3.236 0.077 8 0 "[ . 1 . 2]" 1
609 1 50 LEU QB 1 52 TYR H 4.000 . 5.000 2.440 1.985 2.873 . 0 0 "[ . 1 . 2]" 1
610 1 50 LEU QB 1 53 SER H 3.500 . 4.000 2.179 1.981 2.454 . 0 0 "[ . 1 . 2]" 1
611 1 50 LEU MD2 1 53 SER H 4.500 . 5.500 4.237 3.764 4.573 . 0 0 "[ . 1 . 2]" 1
612 1 50 LEU HG 1 53 SER H 4.000 . 5.000 4.026 3.319 4.797 . 0 0 "[ . 1 . 2]" 1
613 1 50 LEU H 1 53 SER H 4.000 . 5.000 4.319 3.554 5.058 0.058 2 0 "[ . 1 . 2]" 1
614 1 50 LEU H 1 55 ILE H 4.000 . 5.000 4.858 4.370 5.035 0.035 10 0 "[ . 1 . 2]" 1
615 1 50 LEU H 1 54 GLU HA 3.500 . 4.000 3.244 2.684 3.680 . 0 0 "[ . 1 . 2]" 1
616 1 51 PRO HD2 1 53 SER H 4.000 . 5.000 4.300 3.943 4.660 . 0 0 "[ . 1 . 2]" 1
617 1 54 GLU QB 1 56 GLN HG2 3.500 . 4.000 3.850 3.163 4.016 0.016 1 0 "[ . 1 . 2]" 1
618 1 55 ILE MG 1 57 GLU HG2 4.500 . 5.500 2.874 2.389 4.386 . 0 0 "[ . 1 . 2]" 1
619 1 55 ILE MG 1 57 GLU HB3 4.000 . 5.000 4.013 2.974 5.012 0.012 15 0 "[ . 1 . 2]" 1
620 1 55 ILE MG 1 57 GLU HB2 4.000 . 5.000 4.696 3.415 5.038 0.038 13 0 "[ . 1 . 2]" 1
621 1 55 ILE MG 1 57 GLU H 4.500 . 5.500 3.910 3.685 4.217 . 0 0 "[ . 1 . 2]" 1
622 1 57 GLU HB3 1 59 LYS HE3 4.000 . 5.000 5.056 4.167 5.196 0.196 9 0 "[ . 1 . 2]" 1
623 1 57 GLU HB3 1 59 LYS HE2 4.000 . 5.000 4.254 2.454 5.024 0.024 18 0 "[ . 1 . 2]" 1
624 1 57 GLU HG3 1 59 LYS HE3 3.500 . 4.000 3.268 2.431 4.111 0.111 18 0 "[ . 1 . 2]" 1
625 1 57 GLU HG3 1 59 LYS HE2 3.500 . 4.000 2.451 1.799 3.252 0.001 10 0 "[ . 1 . 2]" 1
626 1 59 LYS HB3 1 64 CYS HB3 3.500 . 4.000 3.314 2.155 4.060 0.060 10 0 "[ . 1 . 2]" 1
627 1 59 LYS HB3 1 64 CYS HB2 4.000 . 5.000 2.706 1.796 4.297 0.004 1 0 "[ . 1 . 2]" 1
628 1 59 LYS HB2 1 64 CYS HB3 4.000 . 5.000 3.845 2.214 5.040 0.040 14 0 "[ . 1 . 2]" 1
629 1 59 LYS HB2 1 64 CYS HB2 4.000 . 5.000 3.116 1.792 4.568 0.008 2 0 "[ . 1 . 2]" 1
630 1 59 LYS HB3 1 64 CYS H 4.000 . 5.000 3.457 2.930 4.269 . 0 0 "[ . 1 . 2]" 1
631 1 60 THR HB 1 62 GLN H 4.000 . 5.000 3.420 2.977 4.559 . 0 0 "[ . 1 . 2]" 1
632 1 60 THR HB 1 63 GLN H 4.000 . 5.000 3.736 2.885 4.043 . 0 0 "[ . 1 . 2]" 1
633 1 60 THR MG 1 62 GLN H 4.500 . 5.500 4.558 2.704 5.171 . 0 0 "[ . 1 . 2]" 1
634 1 60 THR MG 1 63 GLN H 4.500 . 5.500 3.986 2.831 4.585 . 0 0 "[ . 1 . 2]" 1
635 1 60 THR H 1 63 GLN HB3 4.000 . 5.000 3.529 2.263 4.978 . 0 0 "[ . 1 . 2]" 1
636 1 60 THR H 1 63 GLN HB2 3.500 . 4.000 3.323 2.053 4.066 0.066 1 0 "[ . 1 . 2]" 1
637 1 60 THR H 1 63 GLN QG 4.000 . 5.000 4.120 3.064 4.802 . 0 0 "[ . 1 . 2]" 1
638 1 60 THR H 1 63 GLN H 4.000 . 5.000 4.191 3.685 4.785 . 0 0 "[ . 1 . 2]" 1
639 1 60 THR MG 1 63 GLN QG 4.500 . 5.500 3.911 2.627 4.863 . 0 0 "[ . 1 . 2]" 1
640 1 61 VAL HA 1 64 CYS HB3 4.000 . 5.000 3.323 2.919 3.695 . 0 0 "[ . 1 . 2]" 1
641 1 61 VAL MG1 1 65 ALA MB 5.000 . 6.000 3.702 3.254 4.130 . 0 0 "[ . 1 . 2]" 1
642 1 62 GLN HA 1 65 ALA MB 3.500 . 4.000 2.992 2.652 3.441 . 0 0 "[ . 1 . 2]" 1
643 1 62 GLN QG 1 65 ALA MB 4.500 . 5.500 4.112 3.569 5.060 . 0 0 "[ . 1 . 2]" 1
644 1 62 GLN QG 1 67 VAL MG1 4.500 . 5.500 5.649 5.538 5.736 0.236 12 0 "[ . 1 . 2]" 1
645 1 63 GLN HA 1 66 GLU HB3 3.000 . 3.500 3.633 3.568 3.681 0.181 18 0 "[ . 1 . 2]" 1
646 1 64 CYS HA 1 67 VAL HB 3.500 . 4.000 4.308 4.266 4.357 0.357 13 0 "[ . 1 . 2]" 1
647 1 64 CYS HA 1 67 VAL MG1 4.000 . 5.000 3.175 2.847 3.435 . 0 0 "[ . 1 . 2]" 1
648 1 64 CYS HA 1 67 VAL MG2 4.000 . 5.000 1.701 1.673 1.744 0.127 7 0 "[ . 1 . 2]" 1
649 1 64 CYS HA 1 67 VAL H 4.000 . 5.000 3.484 3.284 3.636 . 0 0 "[ . 1 . 2]" 1
650 1 64 CYS H 1 66 GLU H 4.000 . 5.000 4.018 3.784 4.245 . 0 0 "[ . 1 . 2]" 1
651 1 65 ALA HA 1 69 GLU H 4.000 . 5.000 4.272 4.021 4.462 . 0 0 "[ . 1 . 2]" 1
652 1 65 ALA MB 1 68 LEU H 4.500 . 5.500 4.514 4.388 4.602 . 0 0 "[ . 1 . 2]" 1
653 1 65 ALA H 1 67 VAL MG1 4.500 . 5.500 4.956 4.689 5.251 . 0 0 "[ . 1 . 2]" 1
654 1 65 ALA HA 1 68 LEU MD1 4.000 . 5.000 4.594 3.887 4.933 . 0 0 "[ . 1 . 2]" 1
655 1 65 ALA HA 1 68 LEU MD2 4.500 . 5.500 3.214 2.756 4.009 . 0 0 "[ . 1 . 2]" 1
656 1 65 ALA HA 1 68 LEU HG 4.000 . 5.000 4.330 3.643 5.007 0.007 5 0 "[ . 1 . 2]" 1
657 1 65 ALA HA 1 68 LEU HB3 3.000 . 3.500 2.850 2.381 3.125 . 0 0 "[ . 1 . 2]" 1
658 1 65 ALA HA 1 68 LEU HB2 3.500 . 4.000 2.579 2.111 3.447 . 0 0 "[ . 1 . 2]" 1
659 1 65 ALA HA 1 68 LEU QD 4.000 . 5.000 3.146 2.706 3.800 . 0 0 "[ . 1 . 2]" 1
660 1 65 ALA MB 1 68 LEU HB3 4.000 . 5.000 4.088 3.847 4.361 . 0 0 "[ . 1 . 2]" 1
661 1 65 ALA MB 1 68 LEU HB2 4.500 . 5.500 4.210 3.809 4.940 . 0 0 "[ . 1 . 2]" 1
662 1 65 ALA MB 1 68 LEU QD 5.000 . 6.000 4.016 3.444 4.610 . 0 0 "[ . 1 . 2]" 1
663 1 67 VAL HA 1 70 GLU QB 3.000 . 3.500 3.023 2.943 3.103 . 0 0 "[ . 1 . 2]" 1
664 1 67 VAL HA 1 70 GLU HG2 4.000 . 5.000 1.771 1.731 1.798 0.069 14 0 "[ . 1 . 2]" 1
665 1 67 VAL MG1 1 70 GLU QB 4.500 . 5.500 4.370 4.258 4.492 . 0 0 "[ . 1 . 2]" 1
666 1 67 VAL MG2 1 70 GLU QB 4.000 . 5.000 5.294 5.268 5.334 0.334 19 0 "[ . 1 . 2]" 1
667 1 67 VAL MG1 1 71 VAL QG 4.500 . 5.500 4.397 4.301 4.466 . 0 0 "[ . 1 . 2]" 1
668 1 67 VAL HA 1 70 GLU H 4.000 . 5.000 3.120 3.017 3.287 . 0 0 "[ . 1 . 2]" 1
669 1 67 VAL MG1 1 71 VAL H 4.500 . 5.500 5.519 5.434 5.549 0.049 5 0 "[ . 1 . 2]" 1
670 1 67 VAL H 1 69 GLU H 4.000 . 5.000 4.507 4.426 4.708 . 0 0 "[ . 1 . 2]" 1
671 1 68 LEU HA 1 71 VAL H 4.000 . 5.000 4.236 4.112 4.445 . 0 0 "[ . 1 . 2]" 1
672 1 68 LEU H 1 70 GLU H 4.000 . 5.000 4.086 3.745 4.244 . 0 0 "[ . 1 . 2]" 1
673 1 68 LEU HB3 1 71 VAL MG2 4.500 . 5.500 4.842 4.595 5.245 . 0 0 "[ . 1 . 2]" 1
674 1 68 LEU HB2 1 71 VAL MG2 4.500 . 5.500 4.809 4.652 5.111 . 0 0 "[ . 1 . 2]" 1
675 1 68 LEU HA 1 71 VAL MG2 3.000 . 3.500 2.657 2.419 3.003 . 0 0 "[ . 1 . 2]" 1
676 1 68 LEU QD 1 71 VAL MG2 4.000 . 5.000 3.053 2.687 3.651 . 0 0 "[ . 1 . 2]" 1
677 1 68 LEU QD 1 72 THR MG 4.500 . 5.500 3.077 2.257 4.526 . 0 0 "[ . 1 . 2]" 1
678 1 68 LEU MD2 1 71 VAL MG2 4.500 . 5.500 4.552 3.329 5.469 . 0 0 "[ . 1 . 2]" 1
679 1 68 LEU HG 1 71 VAL MG2 4.000 . 5.000 4.839 4.236 5.210 0.210 11 0 "[ . 1 . 2]" 1
680 1 68 LEU HG 1 72 THR MG 4.000 . 5.000 4.192 2.656 5.170 0.170 1 0 "[ . 1 . 2]" 1
681 1 69 GLU HA 1 72 THR HA 4.000 . 5.000 5.074 5.019 5.135 0.135 3 0 "[ . 1 . 2]" 1
682 1 69 GLU HA 1 72 THR HB 3.500 . 4.000 2.890 2.215 4.033 0.033 5 0 "[ . 1 . 2]" 1
683 1 69 GLU HA 1 72 THR MG 4.500 . 5.500 3.646 3.357 3.825 . 0 0 "[ . 1 . 2]" 1
684 1 69 GLU QB 1 73 ALA MB 4.500 . 5.500 4.304 3.722 4.632 . 0 0 "[ . 1 . 2]" 1
685 1 69 GLU HA 1 72 THR H 4.000 . 5.000 3.241 3.110 3.392 . 0 0 "[ . 1 . 2]" 1
686 1 69 GLU H 1 71 VAL H 4.000 . 5.000 4.572 4.458 4.826 . 0 0 "[ . 1 . 2]" 1
687 1 70 GLU HA 1 73 ALA MB 4.000 . 5.000 3.235 3.080 3.460 . 0 0 "[ . 1 . 2]" 1
688 1 70 GLU QB 1 74 ILE MD 4.500 . 5.500 4.067 3.948 4.211 . 0 0 "[ . 1 . 2]" 1
689 1 70 GLU HG3 1 74 ILE MD 4.500 . 5.500 4.094 3.981 4.169 . 0 0 "[ . 1 . 2]" 1
690 1 70 GLU HG2 1 74 ILE MD 4.500 . 5.500 5.499 5.392 5.532 0.032 9 0 "[ . 1 . 2]" 1
691 1 70 GLU H 1 73 ALA H 4.000 . 5.000 4.670 4.601 4.820 . 0 0 "[ . 1 . 2]" 1
692 1 71 VAL HA 1 74 ILE HB 3.500 . 4.000 3.277 3.026 3.588 . 0 0 "[ . 1 . 2]" 1
693 1 71 VAL HA 1 74 ILE HG12 3.500 . 4.000 4.043 4.003 4.072 0.072 10 0 "[ . 1 . 2]" 1
694 1 71 VAL HA 1 74 ILE MD 4.000 . 5.000 2.108 2.008 2.224 . 0 0 "[ . 1 . 2]" 1
695 1 71 VAL HA 1 74 ILE HG13 3.500 . 4.000 2.537 2.494 2.626 . 0 0 "[ . 1 . 2]" 1
696 1 71 VAL HA 1 74 ILE MG 4.500 . 5.500 4.348 4.168 4.479 . 0 0 "[ . 1 . 2]" 1
697 1 71 VAL HA 1 76 TYR QD 4.500 . 5.500 3.568 2.949 4.221 . 0 0 "[ . 1 . 2]" 1
698 1 71 VAL QG 1 74 ILE HB 5.000 . 6.000 4.352 4.171 4.620 . 0 0 "[ . 1 . 2]" 1
699 1 71 VAL QG 1 74 ILE MD 5.000 . 6.000 2.851 2.675 3.059 . 0 0 "[ . 1 . 2]" 1
700 1 71 VAL QG 1 76 TYR HB3 4.500 . 5.500 3.636 3.335 3.977 . 0 0 "[ . 1 . 2]" 1
701 1 71 VAL QG 1 76 TYR HB2 4.500 . 5.500 3.155 2.848 3.509 . 0 0 "[ . 1 . 2]" 1
702 1 71 VAL MG1 1 74 ILE MG 5.000 . 6.000 5.014 4.822 5.297 . 0 0 "[ . 1 . 2]" 1
703 1 71 VAL HB 1 76 TYR HB2 4.000 . 5.000 2.218 1.839 2.716 . 0 0 "[ . 1 . 2]" 1
704 1 71 VAL MG1 1 76 TYR HB2 4.500 . 5.500 3.760 3.429 4.159 . 0 0 "[ . 1 . 2]" 1
705 1 71 VAL MG2 1 76 TYR HB2 4.500 . 5.500 3.402 2.973 3.780 . 0 0 "[ . 1 . 2]" 1
706 1 71 VAL HB 1 76 TYR QD 4.000 . 5.000 3.488 2.788 4.085 . 0 0 "[ . 1 . 2]" 1
707 1 71 VAL MG1 1 76 TYR QD 4.500 . 5.500 4.025 3.358 4.626 . 0 0 "[ . 1 . 2]" 1
708 1 71 VAL MG2 1 76 TYR QD 5.000 . 6.000 4.690 4.212 5.073 . 0 0 "[ . 1 . 2]" 1
709 1 71 VAL QG 1 73 ALA H 5.000 . 6.000 4.220 4.116 4.284 . 0 0 "[ . 1 . 2]" 1
710 1 71 VAL QG 1 76 TYR H 5.000 . 6.000 4.162 3.973 4.405 . 0 0 "[ . 1 . 2]" 1
711 1 72 THR MG 1 75 GLY H 4.500 . 5.500 4.410 3.965 4.956 . 0 0 "[ . 1 . 2]" 1
712 1 74 ILE HB 1 76 TYR H 4.000 . 5.000 2.880 2.715 2.987 . 0 0 "[ . 1 . 2]" 1
713 1 74 ILE MG 1 76 TYR H 4.500 . 5.500 4.072 3.794 4.216 . 0 0 "[ . 1 . 2]" 1
714 1 74 ILE H 1 76 TYR H 4.000 . 5.000 3.431 3.302 3.539 . 0 0 "[ . 1 . 2]" 1
715 1 74 ILE HB 1 76 TYR QD 4.500 . 5.500 2.051 1.786 2.358 0.014 16 0 "[ . 1 . 2]" 1
716 1 74 ILE MD 1 76 TYR QD 5.000 . 6.000 2.679 2.317 3.055 . 0 0 "[ . 1 . 2]" 1
717 1 74 ILE MG 1 76 TYR QD 5.000 . 6.000 2.756 2.402 3.145 . 0 0 "[ . 1 . 2]" 1
718 1 71 VAL MG1 1 76 TYR QE 5.000 . 6.000 5.354 4.696 5.839 . 0 0 "[ . 1 . 2]" 1
719 1 74 ILE MD 1 76 TYR QE 4.500 . 5.500 3.282 2.724 3.816 . 0 0 "[ . 1 . 2]" 1
720 1 74 ILE MG 1 76 TYR QE 5.000 . 6.000 2.225 2.025 2.543 . 0 0 "[ . 1 . 2]" 1
721 1 78 ALA MB 1 80 CYS H 4.500 . 5.500 4.757 4.263 5.126 . 0 0 "[ . 1 . 2]" 1
722 1 79 LYS HB3 1 81 CYS H 4.000 . 5.000 5.028 4.475 5.227 0.227 8 0 "[ . 1 . 2]" 1
723 1 81 CYS HA 1 86 CYS QB 4.000 . 5.000 4.961 4.243 5.117 0.117 12 0 "[ . 1 . 2]" 1
724 1 81 CYS HB3 1 86 CYS QB 4.000 . 5.000 4.129 2.057 4.745 . 0 0 "[ . 1 . 2]" 1
725 1 81 CYS HB2 1 86 CYS QB 4.000 . 5.000 3.571 2.786 3.990 . 0 0 "[ . 1 . 2]" 1
726 1 83 GLU HB3 1 86 CYS HA 4.000 . 5.000 3.841 3.147 4.781 . 0 0 "[ . 1 . 2]" 1
727 1 83 GLU HB3 1 86 CYS QB 3.500 . 4.000 1.901 1.712 3.206 0.088 14 0 "[ . 1 . 2]" 1
728 1 83 GLU HB2 1 86 CYS QB 3.500 . 4.000 3.359 2.210 4.038 0.038 11 0 "[ . 1 . 2]" 1
729 1 83 GLU H 1 86 CYS QB 4.000 . 5.000 2.964 2.452 3.718 . 0 0 "[ . 1 . 2]" 1
730 1 83 GLU HB3 1 86 CYS H 4.000 . 5.000 3.808 3.540 5.036 0.036 11 0 "[ . 1 . 2]" 1
731 1 85 LEU HA 1 87 ASN H 4.000 . 5.000 3.517 3.191 4.416 . 0 0 "[ . 1 . 2]" 1
732 1 89 SER HA 1 91 GLN H 4.000 . 5.000 3.915 3.397 5.019 0.019 9 0 "[ . 1 . 2]" 1
733 1 22 ALA HA 1 40 GLU HA 4.000 . 5.000 3.375 1.907 4.611 . 0 0 "[ . 1 . 2]" 1
734 1 22 ALA MB 1 37 THR HB 4.500 . 5.500 4.237 3.350 5.109 . 0 0 "[ . 1 . 2]" 1
735 1 22 ALA MB 1 40 GLU HA 4.500 . 5.500 4.300 2.703 5.564 0.064 10 0 "[ . 1 . 2]" 1
736 1 22 ALA HA 1 43 THR MG 4.000 . 5.000 4.599 3.296 5.021 0.021 7 0 "[ . 1 . 2]" 1
737 1 22 ALA MB 1 37 THR HA 4.500 . 5.500 4.110 3.445 4.813 . 0 0 "[ . 1 . 2]" 1
738 1 23 LEU HB3 1 43 THR HA 3.500 . 4.000 3.463 2.942 4.087 0.087 4 0 "[ . 1 . 2]" 1
739 1 23 LEU MD1 1 83 GLU HA 4.000 . 5.000 2.919 2.346 3.575 . 0 0 "[ . 1 . 2]" 1
740 1 23 LEU MD1 1 84 ASP HA 3.500 . 4.000 2.871 2.262 3.328 . 0 0 "[ . 1 . 2]" 1
741 1 23 LEU MD2 1 43 THR HA 3.500 . 4.000 2.827 1.919 3.935 . 0 0 "[ . 1 . 2]" 1
742 1 23 LEU MD2 1 43 THR HB 4.500 . 5.500 3.932 3.118 4.897 . 0 0 "[ . 1 . 2]" 1
743 1 23 LEU MD2 1 44 ARG HA 4.000 . 5.000 3.459 2.443 5.048 0.048 7 0 "[ . 1 . 2]" 1
744 1 23 LEU MD1 1 82 CYS HA 4.500 . 5.500 4.211 3.617 4.715 . 0 0 "[ . 1 . 2]" 1
745 1 23 LEU MD2 1 82 CYS HA 4.500 . 5.500 3.122 2.122 5.137 . 0 0 "[ . 1 . 2]" 1
746 1 23 LEU QD 1 45 CYS H 5.000 . 6.000 4.742 3.834 6.008 0.008 3 0 "[ . 1 . 2]" 1
747 1 23 LEU MD1 1 83 GLU H 4.500 . 5.500 3.189 2.696 3.684 . 0 0 "[ . 1 . 2]" 1
748 1 23 LEU MD1 1 84 ASP H 4.500 . 5.500 3.218 2.681 4.095 . 0 0 "[ . 1 . 2]" 1
749 1 23 LEU MD1 1 85 LEU H 4.500 . 5.500 4.525 3.606 5.003 . 0 0 "[ . 1 . 2]" 1
750 1 23 LEU MD2 1 44 ARG H 4.500 . 5.500 3.864 3.089 4.996 . 0 0 "[ . 1 . 2]" 1
751 1 23 LEU H 1 38 CYS H 4.000 . 5.000 3.192 2.643 4.393 . 0 0 "[ . 1 . 2]" 1
752 1 23 LEU H 1 38 CYS HB3 4.000 . 5.000 4.982 3.559 5.115 0.115 4 0 "[ . 1 . 2]" 1
753 1 24 LYS HA 1 38 CYS H 4.000 . 5.000 2.946 2.302 3.632 . 0 0 "[ . 1 . 2]" 1
754 1 24 LYS QB 1 85 LEU H 4.000 . 5.000 3.659 3.393 3.971 . 0 0 "[ . 1 . 2]" 1
755 1 24 LYS H 1 85 LEU H 4.000 . 5.000 4.487 4.186 4.824 . 0 0 "[ . 1 . 2]" 1
756 1 24 LYS H 1 84 ASP HA 4.000 . 5.000 3.308 2.951 3.749 . 0 0 "[ . 1 . 2]" 1
757 1 24 LYS QB 1 37 THR HA 4.000 . 5.000 3.577 2.783 4.592 . 0 0 "[ . 1 . 2]" 1
758 1 24 LYS QD 1 37 THR HA 4.000 . 5.000 4.143 3.308 5.023 0.023 8 0 "[ . 1 . 2]" 1
759 1 24 LYS HG3 1 37 THR HA 4.000 . 5.000 3.415 2.609 4.454 . 0 0 "[ . 1 . 2]" 1
760 1 24 LYS HG2 1 37 THR HA 4.000 . 5.000 2.435 1.750 4.754 0.050 12 0 "[ . 1 . 2]" 1
761 1 24 LYS QD 1 35 VAL MG1 3.000 . 3.500 2.972 2.525 3.561 0.061 3 0 "[ . 1 . 2]" 1
762 1 24 LYS QE 1 35 VAL MG1 3.500 . 4.000 3.036 1.785 4.169 0.169 3 0 "[ . 1 . 2]" 1
763 1 24 LYS HG3 1 35 VAL MG1 4.000 . 5.000 4.428 2.853 4.933 . 0 0 "[ . 1 . 2]" 1
764 1 24 LYS HG2 1 35 VAL MG1 4.000 . 5.000 3.622 2.081 4.124 . 0 0 "[ . 1 . 2]" 1
765 1 24 LYS QB 1 35 VAL MG2 4.000 . 5.000 4.260 3.319 4.724 . 0 0 "[ . 1 . 2]" 1
766 1 24 LYS QD 1 35 VAL MG2 4.000 . 5.000 5.052 4.744 5.165 0.165 6 0 "[ . 1 . 2]" 1
767 1 24 LYS HA 1 37 THR HA 3.000 . 3.500 2.355 1.916 3.084 . 0 0 "[ . 1 . 2]" 1
768 1 24 LYS QB 1 84 ASP HA 3.500 . 4.000 3.497 2.839 3.869 . 0 0 "[ . 1 . 2]" 1
769 1 24 LYS HA 1 35 VAL MG1 4.000 . 5.000 3.954 2.791 4.685 . 0 0 "[ . 1 . 2]" 1
770 1 24 LYS HA 1 37 THR MG 4.500 . 5.500 5.016 4.580 5.509 0.009 19 0 "[ . 1 . 2]" 1
771 1 24 LYS QB 1 35 VAL MG1 3.000 . 3.500 2.261 1.779 2.727 0.021 19 0 "[ . 1 . 2]" 1
772 1 24 LYS QB 1 84 ASP HB3 4.000 . 5.000 2.932 2.079 4.946 . 0 0 "[ . 1 . 2]" 1
773 1 24 LYS QB 1 84 ASP HB2 4.000 . 5.000 4.287 3.679 4.877 . 0 0 "[ . 1 . 2]" 1
774 1 24 LYS QB 1 85 LEU MD1 4.000 . 5.000 2.687 2.014 3.848 . 0 0 "[ . 1 . 2]" 1
775 1 24 LYS QB 1 85 LEU MD2 4.500 . 5.500 3.523 2.333 3.990 . 0 0 "[ . 1 . 2]" 1
776 1 24 LYS QE 1 37 THR MG 4.500 . 5.500 5.355 3.778 5.613 0.113 12 0 "[ . 1 . 2]" 1
777 1 24 LYS QD 1 85 LEU MD1 4.000 . 5.000 4.026 2.989 4.845 . 0 0 "[ . 1 . 2]" 1
778 1 24 LYS QE 1 85 LEU MD1 4.500 . 5.500 3.658 2.011 4.831 . 0 0 "[ . 1 . 2]" 1
779 1 25 CYS HA 1 85 LEU HA 3.500 . 4.000 2.787 1.805 3.640 . 0 0 "[ . 1 . 2]" 1
780 1 25 CYS HA 1 85 LEU MD1 4.000 . 5.000 3.126 2.324 4.256 . 0 0 "[ . 1 . 2]" 1
781 1 25 CYS H 1 85 LEU MD1 4.500 . 5.500 4.366 3.218 5.531 0.031 14 0 "[ . 1 . 2]" 1
782 1 25 CYS HA 1 85 LEU H 4.000 . 5.000 2.541 2.130 3.000 . 0 0 "[ . 1 . 2]" 1
783 1 25 CYS HB3 1 85 LEU H 4.000 . 5.000 4.682 4.162 5.047 0.047 3 0 "[ . 1 . 2]" 1
784 1 25 CYS H 1 36 THR H 4.000 . 5.000 3.629 2.897 4.112 . 0 0 "[ . 1 . 2]" 1
785 1 25 CYS H 1 38 CYS H 4.000 . 5.000 3.884 3.490 4.340 . 0 0 "[ . 1 . 2]" 1
786 1 25 CYS H 1 35 VAL MG1 4.000 . 5.000 4.219 2.941 5.010 0.010 20 0 "[ . 1 . 2]" 1
787 1 25 CYS H 1 36 THR MG 4.500 . 5.500 5.433 5.027 5.557 0.057 15 0 "[ . 1 . 2]" 1
788 1 25 CYS H 1 37 THR HA 4.000 . 5.000 3.922 3.389 4.659 . 0 0 "[ . 1 . 2]" 1
789 1 26 PHE HA 1 36 THR H 4.000 . 5.000 3.276 3.026 3.585 . 0 0 "[ . 1 . 2]" 1
790 1 26 PHE H 1 85 LEU HA 4.000 . 5.000 3.232 2.068 4.433 . 0 0 "[ . 1 . 2]" 1
791 1 26 PHE H 1 85 LEU MD1 4.500 . 5.500 3.970 2.942 5.041 . 0 0 "[ . 1 . 2]" 1
792 1 26 PHE HB2 1 56 GLN HE21 4.000 . 5.000 2.725 1.995 3.850 . 0 0 "[ . 1 . 2]" 1
793 1 26 PHE HB2 1 56 GLN HE22 4.000 . 5.000 2.840 2.361 3.364 . 0 0 "[ . 1 . 2]" 1
794 1 26 PHE QD 1 88 ARG H 4.500 . 5.500 4.211 2.861 5.531 0.031 1 0 "[ . 1 . 2]" 1
795 1 26 PHE HA 1 35 VAL HA 3.500 . 4.000 2.735 2.293 3.185 . 0 0 "[ . 1 . 2]" 1
796 1 26 PHE QD 1 35 VAL HA 4.500 . 5.500 3.476 2.661 4.176 . 0 0 "[ . 1 . 2]" 1
797 1 26 PHE QE 1 85 LEU HA 4.500 . 5.500 3.264 2.142 4.446 . 0 0 "[ . 1 . 2]" 1
798 1 26 PHE HA 1 35 VAL MG1 4.000 . 5.000 4.365 3.253 4.862 . 0 0 "[ . 1 . 2]" 1
799 1 26 PHE HA 1 35 VAL MG2 4.000 . 5.000 3.894 3.355 4.507 . 0 0 "[ . 1 . 2]" 1
800 1 26 PHE HA 1 85 LEU MD1 4.500 . 5.500 4.209 3.435 5.137 . 0 0 "[ . 1 . 2]" 1
801 1 26 PHE QD 1 88 ARG HA 4.500 . 5.500 3.362 2.435 5.068 . 0 0 "[ . 1 . 2]" 1
802 1 26 PHE QD 1 33 ARG HB3 4.500 . 5.500 3.664 2.717 4.460 . 0 0 "[ . 1 . 2]" 1
803 1 26 PHE QD 1 35 VAL MG2 4.500 . 5.500 3.090 2.150 3.841 . 0 0 "[ . 1 . 2]" 1
804 1 26 PHE QE 1 33 ARG HB3 4.500 . 5.500 5.159 3.913 5.540 0.040 9 0 "[ . 1 . 2]" 1
805 1 26 PHE QE 1 35 VAL MG1 4.500 . 5.500 4.383 3.701 5.192 . 0 0 "[ . 1 . 2]" 1
806 1 26 PHE QE 1 35 VAL MG2 4.000 . 5.000 2.385 1.783 3.245 0.017 2 0 "[ . 1 . 2]" 1
807 1 26 PHE QE 1 85 LEU HB3 4.000 . 5.000 2.032 1.757 2.452 0.043 12 0 "[ . 1 . 2]" 1
808 1 26 PHE QE 1 85 LEU HB2 4.500 . 5.500 3.547 3.277 3.703 . 0 0 "[ . 1 . 2]" 1
809 1 27 THR MG 1 57 GLU HA 3.500 . 4.000 2.486 1.983 3.163 . 0 0 "[ . 1 . 2]" 1
810 1 27 THR HA 1 56 GLN HB2 4.000 . 5.000 3.269 2.171 4.023 . 0 0 "[ . 1 . 2]" 1
811 1 27 THR HA 1 56 GLN HB3 4.000 . 5.000 3.543 2.816 4.170 . 0 0 "[ . 1 . 2]" 1
812 1 27 THR H 1 34 THR HA 4.000 . 5.000 4.747 4.363 5.019 0.019 13 0 "[ . 1 . 2]" 1
813 1 27 THR MG 1 58 CYS H 4.500 . 5.500 3.488 2.891 4.195 . 0 0 "[ . 1 . 2]" 1
814 1 28 ARG HA 1 34 THR H 4.000 . 5.000 3.589 2.741 4.148 . 0 0 "[ . 1 . 2]" 1
815 1 35 VAL HA 1 85 LEU MD1 4.500 . 5.500 3.512 2.702 4.292 . 0 0 "[ . 1 . 2]" 1
816 1 35 VAL MG1 1 85 LEU MD1 3.500 . 4.000 2.107 1.779 2.784 0.021 20 0 "[ . 1 . 2]" 1
817 1 35 VAL MG2 1 85 LEU MD1 3.500 . 4.000 2.386 1.871 2.900 . 0 0 "[ . 1 . 2]" 1
818 1 36 THR H 1 85 LEU MD1 4.500 . 5.500 4.611 3.890 5.543 0.043 14 0 "[ . 1 . 2]" 1
819 1 38 CYS HB3 1 58 CYS HB3 4.000 . 5.000 2.495 1.960 3.369 . 0 0 "[ . 1 . 2]" 1
820 1 38 CYS HB3 1 58 CYS HB2 4.000 . 5.000 2.508 2.042 3.238 . 0 0 "[ . 1 . 2]" 1
821 1 38 CYS HB2 1 58 CYS HB3 4.000 . 5.000 2.720 2.327 2.849 . 0 0 "[ . 1 . 2]" 1
822 1 38 CYS HB2 1 58 CYS HB2 3.000 . 3.500 3.571 2.801 3.692 0.192 12 0 "[ . 1 . 2]" 1
823 1 39 ALA H 1 58 CYS HB3 4.000 . 5.000 4.794 4.254 5.100 0.100 2 0 "[ . 1 . 2]" 1
824 1 41 GLU HA 1 60 THR MG 4.000 . 5.000 3.820 3.105 4.397 . 0 0 "[ . 1 . 2]" 1
825 1 41 GLU QB 1 60 THR MG 3.500 . 4.000 2.773 1.967 3.669 . 0 0 "[ . 1 . 2]" 1
826 1 41 GLU HB3 1 60 THR MG 4.000 . 5.000 3.785 2.491 4.268 . 0 0 "[ . 1 . 2]" 1
827 1 41 GLU HB2 1 60 THR MG 4.000 . 5.000 2.994 1.978 4.287 . 0 0 "[ . 1 . 2]" 1
828 1 42 GLN HB3 1 58 CYS HB2 4.000 . 5.000 3.489 2.173 4.394 . 0 0 "[ . 1 . 2]" 1
829 1 42 GLN HG3 1 60 THR MG 4.000 . 5.000 3.165 2.062 4.907 . 0 0 "[ . 1 . 2]" 1
830 1 42 GLN HG2 1 60 THR MG 3.500 . 4.000 2.707 1.770 4.138 0.138 1 0 "[ . 1 . 2]" 1
831 1 42 GLN HB2 1 58 CYS HB3 3.500 . 4.000 3.122 2.500 3.981 . 0 0 "[ . 1 . 2]" 1
832 1 42 GLN HB3 1 58 CYS HB3 3.500 . 4.000 2.696 1.946 3.697 . 0 0 "[ . 1 . 2]" 1
833 1 42 GLN HA 1 60 THR HA 3.000 . 3.500 1.755 1.591 2.050 0.209 1 0 "[ . 1 . 2]" 1
834 1 42 GLN HB3 1 58 CYS HA 4.000 . 5.000 4.073 3.675 4.472 . 0 0 "[ . 1 . 2]" 1
835 1 42 GLN HG3 1 60 THR HA 4.000 . 5.000 4.458 3.563 5.252 0.252 4 0 "[ . 1 . 2]" 1
836 1 42 GLN HG2 1 60 THR HA 4.000 . 5.000 3.738 2.316 5.150 0.150 12 0 "[ . 1 . 2]" 1
837 1 42 GLN HA 1 60 THR HB 3.000 . 3.500 3.587 3.504 3.804 0.304 1 0 "[ . 1 . 2]" 1
838 1 42 GLN HA 1 60 THR MG 3.500 . 4.000 2.576 2.206 3.266 . 0 0 "[ . 1 . 2]" 1
839 1 42 GLN HA 1 61 VAL H 4.000 . 5.000 3.700 2.794 4.292 . 0 0 "[ . 1 . 2]" 1
840 1 42 GLN HB3 1 59 LYS H 4.000 . 5.000 2.971 2.554 3.665 . 0 0 "[ . 1 . 2]" 1
841 1 42 GLN HE21 1 58 CYS HB3 4.000 . 5.000 4.962 3.940 5.236 0.236 12 0 "[ . 1 . 2]" 1
842 1 42 GLN HE22 1 59 LYS HA 4.000 . 5.000 4.850 4.011 5.148 0.148 9 0 "[ . 1 . 2]" 1
843 1 42 GLN H 1 60 THR MG 4.500 . 5.500 3.761 2.938 4.422 . 0 0 "[ . 1 . 2]" 1
844 1 43 THR H 1 60 THR HA 3.500 . 4.000 2.738 1.783 3.978 0.017 9 0 "[ . 1 . 2]" 1
845 1 43 THR H 1 60 THR MG 4.500 . 5.500 4.076 3.465 5.216 . 0 0 "[ . 1 . 2]" 1
846 1 43 THR H 1 61 VAL H 4.000 . 5.000 3.085 2.719 3.499 . 0 0 "[ . 1 . 2]" 1
847 1 44 ARG H 1 59 LYS H 4.000 . 5.000 3.539 3.212 4.008 . 0 0 "[ . 1 . 2]" 1
848 1 44 ARG H 1 60 THR HA 4.000 . 5.000 3.468 3.102 4.339 . 0 0 "[ . 1 . 2]" 1
849 1 44 ARG HA 1 82 CYS HA 3.500 . 4.000 2.984 2.700 3.466 . 0 0 "[ . 1 . 2]" 1
850 1 44 ARG HD2 1 82 CYS HA 4.000 . 5.000 3.373 2.575 4.820 . 0 0 "[ . 1 . 2]" 1
851 1 44 ARG HG3 1 61 VAL HA 3.500 . 4.000 2.919 1.721 4.090 0.090 16 0 "[ . 1 . 2]" 1
852 1 44 ARG HG2 1 61 VAL HA 3.500 . 4.000 2.352 1.766 2.784 0.034 9 0 "[ . 1 . 2]" 1
853 1 44 ARG HA 1 82 CYS HB3 4.000 . 5.000 4.451 3.087 5.057 0.057 20 0 "[ . 1 . 2]" 1
854 1 44 ARG HB3 1 80 CYS HB3 4.000 . 5.000 3.611 2.398 4.625 . 0 0 "[ . 1 . 2]" 1
855 1 44 ARG HB3 1 80 CYS HB2 4.000 . 5.000 3.716 2.019 4.839 . 0 0 "[ . 1 . 2]" 1
856 1 44 ARG HB2 1 64 CYS HB3 4.000 . 5.000 3.266 2.185 4.088 . 0 0 "[ . 1 . 2]" 1
857 1 44 ARG HB2 1 64 CYS HB2 4.000 . 5.000 3.657 2.830 4.932 . 0 0 "[ . 1 . 2]" 1
858 1 44 ARG HB2 1 80 CYS HB3 4.000 . 5.000 4.657 3.474 5.227 0.227 17 0 "[ . 1 . 2]" 1
859 1 44 ARG HB2 1 80 CYS HB2 4.000 . 5.000 4.566 3.567 5.237 0.237 15 0 "[ . 1 . 2]" 1
860 1 44 ARG HD3 1 82 CYS HB3 3.500 . 4.000 3.730 2.971 4.161 0.161 12 0 "[ . 1 . 2]" 1
861 1 44 ARG HD2 1 82 CYS HB3 4.000 . 5.000 3.711 1.918 5.078 0.078 10 0 "[ . 1 . 2]" 1
862 1 44 ARG HD2 1 82 CYS HB2 4.000 . 5.000 3.485 1.794 5.038 0.038 11 0 "[ . 1 . 2]" 1
863 1 44 ARG HG3 1 61 VAL MG2 4.000 . 5.000 3.574 2.627 4.560 . 0 0 "[ . 1 . 2]" 1
864 1 44 ARG HG3 1 64 CYS HB3 4.000 . 5.000 3.706 2.952 5.030 0.030 5 0 "[ . 1 . 2]" 1
865 1 44 ARG HG3 1 64 CYS HB2 4.000 . 5.000 4.216 3.542 4.986 . 0 0 "[ . 1 . 2]" 1
866 1 44 ARG HG2 1 61 VAL MG2 4.000 . 5.000 2.631 1.735 3.832 0.065 6 0 "[ . 1 . 2]" 1
867 1 44 ARG HG2 1 64 CYS HB3 4.000 . 5.000 3.786 2.539 4.843 . 0 0 "[ . 1 . 2]" 1
868 1 44 ARG HG2 1 64 CYS HB2 4.000 . 5.000 4.380 3.087 5.162 0.162 13 0 "[ . 1 . 2]" 1
869 1 44 ARG HB3 1 61 VAL HA 4.000 . 5.000 3.360 2.720 3.860 . 0 0 "[ . 1 . 2]" 1
870 1 44 ARG HB2 1 61 VAL HA 4.000 . 5.000 2.304 1.737 2.889 0.063 16 0 "[ . 1 . 2]" 1
871 1 44 ARG HB3 1 64 CYS HB3 4.000 . 5.000 3.214 2.511 3.812 . 0 0 "[ . 1 . 2]" 1
872 1 45 CYS HA 1 58 CYS HA 3.500 . 4.000 2.431 2.115 2.667 . 0 0 "[ . 1 . 2]" 1
873 1 45 CYS HB2 1 87 ASN HA 3.500 . 4.000 4.034 3.801 4.169 0.169 8 0 "[ . 1 . 2]" 1
874 1 45 CYS HB3 1 87 ASN HB3 3.500 . 4.000 2.095 1.777 2.747 0.023 8 0 "[ . 1 . 2]" 1
875 1 45 CYS HB2 1 87 ASN HB3 3.500 . 4.000 2.442 1.935 3.584 . 0 0 "[ . 1 . 2]" 1
876 1 45 CYS HA 1 59 LYS H 4.000 . 5.000 2.854 2.140 3.216 . 0 0 "[ . 1 . 2]" 1
877 1 45 CYS H 1 81 CYS H 4.000 . 5.000 3.667 2.809 4.319 . 0 0 "[ . 1 . 2]" 1
878 1 45 CYS H 1 58 CYS HA 4.000 . 5.000 5.048 4.872 5.153 0.153 12 0 "[ . 1 . 2]" 1
879 1 45 CYS H 1 61 VAL HA 4.000 . 5.000 5.240 5.073 5.364 0.364 11 0 "[ . 1 . 2]" 1
880 1 46 LEU QB 1 56 GLN H 4.000 . 5.000 4.966 4.574 5.128 0.128 6 0 "[ . 1 . 2]" 1
881 1 46 LEU MD2 1 79 LYS H 4.500 . 5.500 3.373 3.039 3.727 . 0 0 "[ . 1 . 2]" 1
882 1 46 LEU H 1 57 GLU H 4.000 . 5.000 2.899 2.594 3.132 . 0 0 "[ . 1 . 2]" 1
883 1 46 LEU HA 1 80 CYS HA 3.000 . 3.500 3.182 2.890 3.412 . 0 0 "[ . 1 . 2]" 1
884 1 46 LEU QB 1 80 CYS HA 4.000 . 5.000 5.080 5.002 5.131 0.131 3 0 "[ . 1 . 2]" 1
885 1 46 LEU MD2 1 80 CYS HA 4.500 . 5.500 4.068 3.626 4.690 . 0 0 "[ . 1 . 2]" 1
886 1 46 LEU MD1 1 59 LYS HB3 4.500 . 5.500 4.687 3.779 5.716 0.216 15 0 "[ . 1 . 2]" 1
887 1 46 LEU MD1 1 59 LYS HD3 4.500 . 5.500 4.323 2.336 5.547 0.047 6 0 "[ . 1 . 2]" 1
888 1 46 LEU MD1 1 59 LYS HD2 4.500 . 5.500 4.208 3.410 5.528 0.028 11 0 "[ . 1 . 2]" 1
889 1 46 LEU MD1 1 59 LYS HE3 4.000 . 5.000 2.857 1.766 4.382 0.034 2 0 "[ . 1 . 2]" 1
890 1 46 LEU MD1 1 59 LYS HE2 3.500 2.300 4.000 3.091 2.256 3.922 0.044 3 0 "[ . 1 . 2]" 1
891 1 46 LEU MD1 1 67 VAL HB 3.500 2.300 4.000 3.349 2.386 4.059 0.059 10 0 "[ . 1 . 2]" 1
892 1 46 LEU MD2 1 78 ALA MB 4.000 . 5.000 2.642 2.203 3.163 . 0 0 "[ . 1 . 2]" 1
893 1 46 LEU HG 1 57 GLU HG3 3.500 . 4.000 4.080 4.011 4.134 0.134 1 0 "[ . 1 . 2]" 1
894 1 46 LEU MD2 1 64 CYS HA 4.000 . 5.000 4.198 3.309 4.674 . 0 0 "[ . 1 . 2]" 1
895 1 46 LEU MD1 1 67 VAL MG2 4.000 . 5.000 2.656 2.166 3.325 . 0 0 "[ . 1 . 2]" 1
896 1 46 LEU MD1 1 57 GLU HB3 4.500 . 5.500 4.270 2.199 5.066 . 0 0 "[ . 1 . 2]" 1
897 1 46 LEU MD2 1 64 CYS HB3 4.500 . 5.500 5.200 4.391 5.566 0.066 3 0 "[ . 1 . 2]" 1
898 1 47 PHE HA 1 56 GLN HA 3.500 . 4.000 2.815 2.435 3.088 . 0 0 "[ . 1 . 2]" 1
899 1 47 PHE QB 1 87 ASN HA 3.000 . 3.500 2.490 2.044 2.890 . 0 0 "[ . 1 . 2]" 1
900 1 47 PHE QD 1 78 ALA HA 4.500 . 5.500 4.356 3.040 5.131 . 0 0 "[ . 1 . 2]" 1
901 1 47 PHE QE 1 88 ARG HA 4.500 . 5.500 5.046 3.395 5.563 0.063 4 0 "[ . 1 . 2]" 1
902 1 47 PHE QE 1 89 SER HA 4.500 . 5.500 3.212 1.779 5.357 0.021 5 0 "[ . 1 . 2]" 1
903 1 47 PHE HZ 1 89 SER HA 4.500 . 5.500 3.473 2.311 5.542 0.042 14 0 "[ . 1 . 2]" 1
904 1 47 PHE HA 1 56 GLN HG3 4.000 . 5.000 4.384 3.445 5.013 0.013 19 0 "[ . 1 . 2]" 1
905 1 47 PHE QB 1 79 LYS HG3 3.500 . 4.000 2.770 1.791 3.729 0.009 17 0 "[ . 1 . 2]" 1
906 1 47 PHE QB 1 79 LYS HG2 3.500 . 4.000 3.279 2.152 4.093 0.093 14 0 "[ . 1 . 2]" 1
907 1 47 PHE QB 1 87 ASN HB3 3.500 . 4.000 3.100 2.486 3.786 . 0 0 "[ . 1 . 2]" 1
908 1 47 PHE QB 1 87 ASN HB2 3.500 . 4.000 1.916 1.705 2.261 0.095 11 0 "[ . 1 . 2]" 1
909 1 47 PHE QD 1 56 GLN HG3 4.000 . 5.000 3.389 2.802 4.838 . 0 0 "[ . 1 . 2]" 1
910 1 47 PHE QD 1 56 GLN HG2 4.000 . 5.000 2.284 1.790 3.477 0.010 15 0 "[ . 1 . 2]" 1
911 1 47 PHE QD 1 79 LYS HG2 4.500 . 5.500 2.559 1.796 3.795 0.004 15 0 "[ . 1 . 2]" 1
912 1 47 PHE QE 1 54 GLU QB 4.500 . 5.500 2.207 1.766 3.734 0.034 20 0 "[ . 1 . 2]" 1
913 1 47 PHE QB 1 79 LYS H 4.000 . 5.000 3.322 2.984 3.724 . 0 0 "[ . 1 . 2]" 1
914 1 47 PHE QD 1 79 LYS H 4.500 . 5.500 3.687 2.816 4.644 . 0 0 "[ . 1 . 2]" 1
915 1 47 PHE H 1 79 LYS H 4.000 . 5.000 2.910 2.613 3.286 . 0 0 "[ . 1 . 2]" 1
916 1 47 PHE H 1 78 ALA MB 4.500 . 5.500 3.995 3.592 4.535 . 0 0 "[ . 1 . 2]" 1
917 1 47 PHE H 1 80 CYS HA 4.000 . 5.000 3.669 3.194 4.276 . 0 0 "[ . 1 . 2]" 1
918 1 47 PHE HZ 1 90 GLU QG 3.500 . 4.000 4.014 3.653 4.109 0.109 5 0 "[ . 1 . 2]" 1
919 1 48 VAL HA 1 79 LYS H 4.000 . 5.000 3.480 3.238 3.891 . 0 0 "[ . 1 . 2]" 1
920 1 48 VAL QG 1 79 LYS H 5.000 . 6.000 3.708 3.536 3.954 . 0 0 "[ . 1 . 2]" 1
921 1 48 VAL MG1 1 76 TYR H 4.500 . 5.500 4.991 4.688 5.254 . 0 0 "[ . 1 . 2]" 1
922 1 48 VAL H 1 55 ILE H 4.000 . 5.000 2.652 2.383 2.865 . 0 0 "[ . 1 . 2]" 1
923 1 48 VAL H 1 54 GLU HA 4.000 . 5.000 4.731 4.534 4.924 . 0 0 "[ . 1 . 2]" 1
924 1 48 VAL H 1 55 ILE HB 3.500 . 4.000 2.319 2.112 2.697 . 0 0 "[ . 1 . 2]" 1
925 1 48 VAL H 1 55 ILE HG13 4.000 . 5.000 4.529 3.968 5.075 0.075 9 0 "[ . 1 . 2]" 1
926 1 48 VAL H 1 55 ILE HG12 4.000 . 5.000 4.744 4.312 5.156 0.156 5 0 "[ . 1 . 2]" 1
927 1 48 VAL HA 1 78 ALA HA 3.000 . 3.500 2.039 1.858 2.255 . 0 0 "[ . 1 . 2]" 1
928 1 48 VAL MG1 1 76 TYR HA 4.500 . 5.500 4.147 3.622 4.770 . 0 0 "[ . 1 . 2]" 1
929 1 48 VAL HA 1 78 ALA MB 3.500 . 4.000 2.803 2.530 3.132 . 0 0 "[ . 1 . 2]" 1
930 1 48 VAL HA 1 71 VAL MG2 4.000 . 5.000 4.227 3.905 4.644 . 0 0 "[ . 1 . 2]" 1
931 1 48 VAL HB 1 55 ILE HB 3.000 . 3.500 1.794 1.715 2.130 0.085 18 0 "[ . 1 . 2]" 1
932 1 48 VAL QG 1 78 ALA MB 4.000 . 5.000 1.910 1.780 2.246 0.020 12 0 "[ . 1 . 2]" 1
933 1 48 VAL MG1 1 71 VAL HB 4.000 . 5.000 2.945 2.504 3.536 . 0 0 "[ . 1 . 2]" 1
934 1 48 VAL MG1 1 76 TYR HB3 4.000 . 5.000 2.383 2.020 2.791 . 0 0 "[ . 1 . 2]" 1
935 1 48 VAL MG1 1 76 TYR HB2 4.000 . 5.000 3.261 2.925 3.558 . 0 0 "[ . 1 . 2]" 1
936 1 48 VAL MG1 1 55 ILE HB 3.500 . 4.000 3.552 3.401 3.852 . 0 0 "[ . 1 . 2]" 1
937 1 48 VAL MG2 1 55 ILE HB 3.500 . 4.000 2.448 2.215 2.690 . 0 0 "[ . 1 . 2]" 1
938 1 48 VAL HB 1 55 ILE MD 3.500 . 4.000 3.035 1.928 4.122 0.122 8 0 "[ . 1 . 2]" 1
939 1 48 VAL HB 1 55 ILE HG13 4.000 . 5.000 2.816 2.395 3.109 . 0 0 "[ . 1 . 2]" 1
940 1 48 VAL HB 1 55 ILE HG12 3.500 . 4.000 3.303 2.544 4.025 0.025 20 0 "[ . 1 . 2]" 1
941 1 48 VAL HB 1 55 ILE MG 3.000 . 3.500 3.266 3.082 3.512 0.012 19 0 "[ . 1 . 2]" 1
942 1 48 VAL MG1 1 71 VAL QG 4.000 . 5.000 2.469 2.180 2.730 . 0 0 "[ . 1 . 2]" 1
943 1 48 VAL HB 1 71 VAL MG1 4.500 . 5.500 4.586 4.145 5.309 . 0 0 "[ . 1 . 2]" 1
944 1 48 VAL MG1 1 76 TYR QD 5.000 . 6.000 3.605 3.093 4.038 . 0 0 "[ . 1 . 2]" 1
945 1 48 VAL MG1 1 76 TYR QE 5.000 . 6.000 5.055 4.546 5.379 . 0 0 "[ . 1 . 2]" 1
946 1 48 VAL MG1 1 78 ALA HA 4.500 . 5.500 3.276 2.893 3.586 . 0 0 "[ . 1 . 2]" 1
947 1 48 VAL MG2 1 78 ALA HA 4.500 . 5.500 3.172 2.799 3.672 . 0 0 "[ . 1 . 2]" 1
948 1 48 VAL MG1 1 78 ALA MB 4.000 . 5.000 2.447 2.126 2.737 . 0 0 "[ . 1 . 2]" 1
949 1 48 VAL MG2 1 78 ALA MB 4.000 . 5.000 2.024 1.830 2.611 . 0 0 "[ . 1 . 2]" 1
950 1 49 GLN HG3 1 77 PRO HB3 3.000 . 3.500 3.352 2.996 3.685 0.185 9 0 "[ . 1 . 2]" 1
951 1 49 GLN HG2 1 77 PRO HB3 2.500 . 3.000 3.101 2.804 3.177 0.177 14 0 "[ . 1 . 2]" 1
952 1 49 GLN HG3 1 77 PRO HD3 4.000 . 5.000 4.836 4.073 5.095 0.095 4 0 "[ . 1 . 2]" 1
953 1 49 GLN HG2 1 77 PRO HD3 4.000 . 5.000 4.929 4.226 5.119 0.119 18 0 "[ . 1 . 2]" 1
954 1 49 GLN H 1 78 ALA HA 4.000 . 5.000 3.226 2.703 3.835 . 0 0 "[ . 1 . 2]" 1
955 1 49 GLN H 1 78 ALA MB 4.500 . 5.500 3.981 3.514 4.332 . 0 0 "[ . 1 . 2]" 1
956 1 50 LEU MD1 1 76 TYR HB2 4.400 . 5.400 4.684 3.812 5.419 0.019 19 0 "[ . 1 . 2]" 1
957 1 50 LEU MD1 1 76 TYR QD 4.500 . 5.500 2.630 2.392 2.946 . 0 0 "[ . 1 . 2]" 1
958 1 50 LEU MD1 1 76 TYR QE 4.500 . 5.500 2.805 2.388 3.184 . 0 0 "[ . 1 . 2]" 1
959 1 50 LEU MD2 1 76 TYR QE 5.000 . 6.000 4.984 4.408 5.540 . 0 0 "[ . 1 . 2]" 1
960 1 55 ILE MD 1 71 VAL MG1 4.500 . 5.500 4.505 3.064 5.574 0.074 14 0 "[ . 1 . 2]" 1
961 1 56 GLN HE21 1 88 ARG HA 4.000 . 5.000 3.164 2.073 4.774 . 0 0 "[ . 1 . 2]" 1
962 1 56 GLN HE22 1 88 ARG HA 4.000 . 5.000 2.863 1.793 4.706 0.007 4 0 "[ . 1 . 2]" 1
963 1 59 LYS HD3 1 67 VAL MG2 4.500 . 5.500 4.762 4.138 5.284 . 0 0 "[ . 1 . 2]" 1
964 1 59 LYS HE3 1 67 VAL MG2 4.000 . 5.000 4.075 2.677 5.036 0.036 3 0 "[ . 1 . 2]" 1
965 1 59 LYS HE2 1 67 VAL MG2 4.000 . 5.000 4.622 3.779 5.046 0.046 7 0 "[ . 1 . 2]" 1
966 1 64 CYS HB2 1 80 CYS HB3 4.000 . 5.000 3.345 1.770 5.103 0.103 10 0 "[ . 1 . 2]" 1
967 1 64 CYS HB2 1 80 CYS HB2 4.000 . 5.000 3.666 1.795 4.896 0.005 17 0 "[ . 1 . 2]" 1
968 1 64 CYS HB3 1 80 CYS HB2 3.500 . 4.000 3.405 2.836 4.006 0.006 10 0 "[ . 1 . 2]" 1
969 1 68 LEU QD 1 79 LYS HB3 4.500 . 5.500 4.134 3.678 4.551 . 0 0 "[ . 1 . 2]" 1
970 1 68 LEU QD 1 80 CYS HB2 4.500 . 5.500 3.440 2.199 4.862 . 0 0 "[ . 1 . 2]" 1
971 1 68 LEU MD2 1 79 LYS HB2 4.500 . 5.500 4.984 4.314 5.585 0.085 13 0 "[ . 1 . 2]" 1
972 1 68 LEU MD2 1 80 CYS HB3 4.500 . 5.500 3.908 2.655 4.782 . 0 0 "[ . 1 . 2]" 1
973 1 68 LEU HB3 1 78 ALA MB 4.500 . 5.500 4.555 4.149 4.959 . 0 0 "[ . 1 . 2]" 1
974 1 68 LEU HB2 1 78 ALA MB 4.500 . 5.500 4.096 3.141 4.396 . 0 0 "[ . 1 . 2]" 1
975 1 68 LEU MD1 1 78 ALA MB 3.500 . 4.000 1.809 1.726 2.021 0.074 4 0 "[ . 1 . 2]" 1
976 1 68 LEU MD2 1 78 ALA MB 3.500 . 4.000 3.130 1.930 4.165 0.165 4 0 "[ . 1 . 2]" 1
977 1 68 LEU MD1 1 79 LYS HA 4.000 . 5.000 3.014 2.044 4.083 . 0 0 "[ . 1 . 2]" 1
978 1 68 LEU MD1 1 80 CYS HB2 4.500 . 5.500 4.974 3.188 5.626 0.126 2 0 "[ . 1 . 2]" 1
979 1 68 LEU MD2 1 80 CYS HB2 4.500 . 5.500 3.733 2.202 5.406 . 0 0 "[ . 1 . 2]" 1
980 1 68 LEU MD2 1 79 LYS HA 3.500 . 4.000 2.894 2.226 3.551 . 0 0 "[ . 1 . 2]" 1
981 1 68 LEU MD2 1 80 CYS HA 4.500 . 5.500 4.690 3.863 5.527 0.027 12 0 "[ . 1 . 2]" 1
982 1 68 LEU HA 1 78 ALA MB 4.000 . 5.000 2.550 1.923 2.962 . 0 0 "[ . 1 . 2]" 1
983 1 68 LEU QD 1 78 ALA H 5.000 . 6.000 3.075 2.344 4.073 . 0 0 "[ . 1 . 2]" 1
984 1 68 LEU QD 1 80 CYS H 4.000 . 5.000 2.514 1.945 2.883 . 0 0 "[ . 1 . 2]" 1
985 1 71 VAL MG2 1 78 ALA HA 4.500 . 5.500 4.101 3.717 4.441 . 0 0 "[ . 1 . 2]" 1
986 1 71 VAL HB 1 78 ALA MB 4.500 . 5.500 3.831 3.559 4.077 . 0 0 "[ . 1 . 2]" 1
987 1 71 VAL MG2 1 78 ALA MB 3.500 . 4.500 1.969 1.743 2.217 . 0 0 "[ . 1 . 2]" 1
988 1 72 THR HB 1 78 ALA H 4.000 . 5.000 5.041 5.008 5.081 0.081 15 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 9
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 1.184
_Distance_constraint_stats_list.Viol_max 0.025
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0118
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PHE 0.038 0.025 3 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.022 0.022 13 0 "[ . 1 . 2]"
1 54 GLU 0.022 0.022 13 0 "[ . 1 . 2]"
1 56 GLN 0.022 0.022 13 0 "[ . 1 . 2]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ARG 0.038 0.025 3 0 "[ . 1 . 2]"
1 90 GLU 0.022 0.022 13 0 "[ . 1 . 2]"
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 47 PHE QE 1 54 GLU QG 4.000 . 5.000 2.595 1.778 3.436 0.022 13 0 "[ . 1 . 2]" 2
2 1 22 ALA MB 1 38 CYS H 4.000 . 5.000 3.482 3.040 3.828 . 0 0 "[ . 1 . 2]" 2
3 1 26 PHE QE 1 88 ARG HA 4.500 . 5.500 4.079 3.082 5.476 . 0 0 "[ . 1 . 2]" 2
4 1 26 PHE QE 1 85 LEU MD1 4.500 . 5.500 2.923 1.957 3.605 . 0 0 "[ . 1 . 2]" 2
5 1 26 PHE QE 1 85 LEU MD2 4.500 . 5.500 3.968 3.404 4.264 . 0 0 "[ . 1 . 2]" 2
6 1 26 PHE QE 1 88 ARG HB2 4.500 . 5.500 3.499 2.423 4.981 . 0 0 "[ . 1 . 2]" 2
7 1 26 PHE QE 1 88 ARG QD 4.000 . 5.000 3.473 2.516 5.006 0.006 5 0 "[ . 1 . 2]" 2
8 1 26 PHE QE 1 88 ARG HG3 4.500 . 5.500 4.235 2.146 5.525 0.025 3 0 "[ . 1 . 2]" 2
9 1 26 PHE QE 1 88 ARG HG2 4.500 . 5.500 4.607 3.076 5.358 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 24
_Distance_constraint_stats_list.Viol_total 5.023
_Distance_constraint_stats_list.Viol_max 0.024
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0105
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 25 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.042 0.012 14 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 CYS 0.042 0.012 14 0 "[ . 1 . 2]"
1 64 CYS 0.209 0.024 15 0 "[ . 1 . 2]"
1 80 CYS 0.209 0.024 15 0 "[ . 1 . 2]"
1 81 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
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 25 CYS SG 1 45 CYS SG 2.000 . 2.100 2.032 2.026 2.037 . 0 0 "[ . 1 . 2]" 3
2 1 25 CYS CB 1 45 CYS SG 3.000 3.000 3.100 3.060 3.030 3.084 . 0 0 "[ . 1 . 2]" 3
3 1 25 CYS SG 1 45 CYS CB 3.000 3.000 3.100 3.052 3.015 3.082 . 0 0 "[ . 1 . 2]" 3
4 1 38 CYS SG 1 58 CYS SG 2.000 . 2.100 2.025 2.014 2.029 . 0 0 "[ . 1 . 2]" 3
5 1 38 CYS CB 1 58 CYS SG 3.000 3.000 3.100 3.034 2.999 3.065 0.001 1 0 "[ . 1 . 2]" 3
6 1 38 CYS SG 1 58 CYS CB 3.000 3.000 3.100 3.007 2.988 3.040 0.012 14 0 "[ . 1 . 2]" 3
7 1 64 CYS SG 1 80 CYS SG 2.000 . 2.100 2.026 2.019 2.035 . 0 0 "[ . 1 . 2]" 3
8 1 64 CYS CB 1 80 CYS SG 3.000 3.000 3.100 3.024 2.980 3.053 0.020 11 0 "[ . 1 . 2]" 3
9 1 64 CYS SG 1 80 CYS CB 3.000 3.000 3.100 3.003 2.976 3.050 0.024 15 0 "[ . 1 . 2]" 3
10 1 81 CYS SG 1 86 CYS SG 2.000 . 2.100 2.029 2.024 2.031 . 0 0 "[ . 1 . 2]" 3
11 1 81 CYS CB 1 86 CYS SG 3.000 3.000 3.100 3.029 3.010 3.047 . 0 0 "[ . 1 . 2]" 3
12 1 81 CYS SG 1 86 CYS CB 3.000 3.000 3.100 3.039 3.011 3.077 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 18
_Distance_constraint_stats_list.Viol_count 159
_Distance_constraint_stats_list.Viol_total 115.401
_Distance_constraint_stats_list.Viol_max 0.135
_Distance_constraint_stats_list.Viol_rms 0.0254
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0160
_Distance_constraint_stats_list.Viol_average_violations_only 0.0363
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 61 VAL 0.680 0.067 8 0 "[ . 1 . 2]"
1 62 GLN 0.399 0.061 2 0 "[ . 1 . 2]"
1 63 GLN 2.057 0.135 8 0 "[ . 1 . 2]"
1 64 CYS 0.598 0.094 3 0 "[ . 1 . 2]"
1 65 ALA 0.938 0.067 8 0 "[ . 1 . 2]"
1 66 GLU 1.341 0.094 18 0 "[ . 1 . 2]"
1 67 VAL 2.725 0.135 8 0 "[ . 1 . 2]"
1 68 LEU 0.598 0.094 3 0 "[ . 1 . 2]"
1 69 GLU 0.426 0.058 14 0 "[ . 1 . 2]"
1 70 GLU 0.942 0.094 18 0 "[ . 1 . 2]"
1 71 VAL 0.668 0.072 13 0 "[ . 1 . 2]"
1 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.168 0.035 12 0 "[ . 1 . 2]"
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 61 VAL O 1 65 ALA N 2.800 2.800 3.300 3.166 2.976 3.335 0.035 17 0 "[ . 1 . 2]" 4
2 1 61 VAL O 1 65 ALA H 1.800 . 2.300 2.323 2.176 2.367 0.067 8 0 "[ . 1 . 2]" 4
3 1 62 GLN O 1 66 GLU N 2.800 2.800 3.300 2.961 2.739 3.321 0.061 2 0 "[ . 1 . 2]" 4
4 1 62 GLN O 1 66 GLU H 1.800 . 2.300 1.996 1.769 2.351 0.051 5 0 "[ . 1 . 2]" 4
5 1 63 GLN O 1 67 VAL N 2.800 2.800 3.300 2.728 2.665 2.791 0.135 8 0 "[ . 1 . 2]" 4
6 1 63 GLN O 1 67 VAL H 1.800 . 2.300 1.774 1.729 1.853 0.071 8 0 "[ . 1 . 2]" 4
7 1 64 CYS O 1 68 LEU N 2.800 2.800 3.300 2.795 2.706 2.996 0.094 3 0 "[ . 1 . 2]" 4
8 1 64 CYS O 1 68 LEU H 1.800 . 2.300 1.972 1.861 2.311 0.011 17 0 "[ . 1 . 2]" 4
9 1 65 ALA O 1 69 GLU N 2.800 2.800 3.300 3.212 2.924 3.300 0.000 14 0 "[ . 1 . 2]" 4
10 1 65 ALA O 1 69 GLU H 1.800 . 2.300 2.269 1.950 2.358 0.058 14 0 "[ . 1 . 2]" 4
11 1 66 GLU O 1 70 GLU N 2.800 2.800 3.300 3.107 2.829 3.224 . 0 0 "[ . 1 . 2]" 4
12 1 66 GLU O 1 70 GLU H 1.800 . 2.300 2.338 2.116 2.394 0.094 18 0 "[ . 1 . 2]" 4
13 1 67 VAL O 1 71 VAL N 2.800 2.800 3.300 3.280 3.176 3.345 0.045 13 0 "[ . 1 . 2]" 4
14 1 67 VAL O 1 71 VAL H 1.800 . 2.300 2.304 2.202 2.372 0.072 13 0 "[ . 1 . 2]" 4
15 1 68 LEU O 1 72 THR N 2.800 2.800 3.300 2.957 2.826 3.123 . 0 0 "[ . 1 . 2]" 4
16 1 68 LEU O 1 72 THR H 1.800 . 2.300 2.041 1.895 2.298 . 0 0 "[ . 1 . 2]" 4
17 1 69 GLU O 1 73 ALA N 2.800 2.800 3.300 2.814 2.765 2.956 0.035 12 0 "[ . 1 . 2]" 4
18 1 69 GLU O 1 73 ALA H 1.800 . 2.300 1.864 1.809 1.993 . 0 0 "[ . 1 . 2]" 4
stop_
save_
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