NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
538641 |
2loe   |
18210 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2loe
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 950
_Distance_constraint_stats_list.Viol_count 471
_Distance_constraint_stats_list.Viol_total 642.989
_Distance_constraint_stats_list.Viol_max 0.273
_Distance_constraint_stats_list.Viol_rms 0.0129
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0683
_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 2 LYS 0.499 0.091 2 0 "[ . 1 . 2]"
1 3 VAL 0.366 0.089 14 0 "[ . 1 . 2]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.236 0.098 11 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ASP 0.503 0.092 8 0 "[ . 1 . 2]"
1 8 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 THR 0.012 0.012 14 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 0.012 0.012 14 0 "[ . 1 . 2]"
1 14 THR 0.680 0.106 15 0 "[ . 1 . 2]"
1 15 ILE 0.472 0.106 15 0 "[ . 1 . 2]"
1 16 PHE 1.367 0.161 10 0 "[ . 1 . 2]"
1 17 SER 0.236 0.098 11 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.503 0.092 8 0 "[ . 1 . 2]"
1 20 TYR 0.187 0.045 19 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 0.502 0.135 18 0 "[ . 1 . 2]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 1.096 0.098 3 0 "[ . 1 . 2]"
1 26 SER 0.626 0.135 18 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASN 0.143 0.086 15 0 "[ . 1 . 2]"
1 33 GLN 0.096 0.079 10 0 "[ . 1 . 2]"
1 34 GLN 0.096 0.079 10 0 "[ . 1 . 2]"
1 35 ASP 0.230 0.085 19 0 "[ . 1 . 2]"
1 36 ILE 0.331 0.086 15 0 "[ . 1 . 2]"
1 37 VAL 0.031 0.023 7 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 1.177 0.153 14 0 "[ . 1 . 2]"
1 47 LEU 1.367 0.161 10 0 "[ . 1 . 2]"
1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 PHE 1.556 0.143 2 0 "[ . 1 . 2]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASN 1.380 0.181 5 0 "[ . 1 . 2]"
1 56 TYR 0.005 0.005 6 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 2.086 0.160 13 0 "[ . 1 . 2]"
1 59 GLU 2.251 0.239 13 0 "[ . 1 . 2]"
1 60 PRO 3.389 0.271 1 0 "[ . 1 . 2]"
1 61 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 CYS 4.327 0.171 19 0 "[ . 1 . 2]"
1 64 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.495 0.082 13 0 "[ . 1 . 2]"
1 66 SER 1.048 0.111 2 0 "[ . 1 . 2]"
1 67 ALA 0.466 0.073 16 0 "[ . 1 . 2]"
1 68 PHE 7.132 0.271 1 0 "[ . 1 . 2]"
1 69 ASN 0.061 0.036 2 0 "[ . 1 . 2]"
1 70 LEU 1.017 0.160 7 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 1.134 0.144 10 0 "[ . 1 . 2]"
1 73 LYS 0.061 0.036 2 0 "[ . 1 . 2]"
1 74 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASN 0.469 0.082 13 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.026 0.015 7 0 "[ . 1 . 2]"
1 79 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 2.163 0.273 4 0 "[ . 1 . 2]"
1 81 LEU 0.341 0.066 15 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ASN 0.038 0.038 12 0 "[ . 1 . 2]"
1 86 ILE 0.002 0.002 6 0 "[ . 1 . 2]"
1 87 ILE 0.052 0.038 12 0 "[ . 1 . 2]"
1 88 MET 1.054 0.111 2 0 "[ . 1 . 2]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 PHE 0.005 0.005 7 0 "[ . 1 . 2]"
1 96 TYR 0.010 0.010 2 0 "[ . 1 . 2]"
1 97 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LEU 1.177 0.153 14 0 "[ . 1 . 2]"
1 100 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ILE 2.841 0.185 13 0 "[ . 1 . 2]"
1 104 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASP 0.898 0.087 6 0 "[ . 1 . 2]"
1 106 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 TRP 6.589 0.273 4 0 "[ . 1 . 2]"
1 108 LYS 1.017 0.160 7 0 "[ . 1 . 2]"
1 109 PHE 0.466 0.073 16 0 "[ . 1 . 2]"
1 110 PHE 1.706 0.144 10 0 "[ . 1 . 2]"
1 111 CYS 0.744 0.107 7 0 "[ . 1 . 2]"
1 112 VAL 1.534 0.143 2 0 "[ . 1 . 2]"
1 113 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 SER 0.005 0.005 6 0 "[ . 1 . 2]"
1 115 LYS 1.579 0.199 8 0 "[ . 1 . 2]"
1 116 ASP 0.199 0.199 8 0 "[ . 1 . 2]"
1 117 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 GLU 0.523 0.082 3 0 "[ . 1 . 2]"
1 119 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 VAL 0.771 0.085 19 0 "[ . 1 . 2]"
1 123 PHE 0.022 0.016 20 0 "[ . 1 . 2]"
1 124 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 GLU 0.540 0.092 5 0 "[ . 1 . 2]"
1 127 ALA 0.870 0.087 6 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 2 LYS HA 1 2 LYS QD 2.500 . 5.000 3.280 2.118 4.154 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS QE 1 14 THR HB 2.500 . 6.000 5.885 5.087 6.091 0.091 2 0 "[ . 1 . 2]" 1
3 1 2 LYS QB 1 16 PHE HA 2.500 . 6.000 3.644 2.834 4.258 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS QG 1 17 SER HA 2.500 . 6.000 3.950 3.126 4.644 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS QB 1 17 SER QB 2.500 . 6.000 2.749 2.048 3.693 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS QE 1 17 SER HA 2.500 . 6.000 3.846 2.187 5.021 . 0 0 "[ . 1 . 2]" 1
7 1 2 LYS QB 1 17 SER HA 2.500 . 6.000 2.959 2.686 3.271 . 0 0 "[ . 1 . 2]" 1
8 1 3 VAL HA 1 3 VAL MG2 2.500 . 3.800 2.288 2.196 2.434 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL HA 1 3 VAL HB 2.500 . 6.000 3.031 3.027 3.033 . 0 0 "[ . 1 . 2]" 1
10 1 3 VAL HA 1 4 LYS QB 2.500 . 6.000 4.503 4.337 4.597 . 0 0 "[ . 1 . 2]" 1
11 1 3 VAL MG2 1 15 ILE MG 2.500 . 4.300 4.260 3.892 4.389 0.089 14 0 "[ . 1 . 2]" 1
12 1 3 VAL MG1 1 15 ILE MG 2.500 . 7.000 5.658 5.431 5.896 . 0 0 "[ . 1 . 2]" 1
13 1 3 VAL H 1 15 ILE HA 2.500 . 6.000 3.902 3.713 4.081 . 0 0 "[ . 1 . 2]" 1
14 1 3 VAL HB 1 15 ILE MG 2.500 . 6.500 5.124 4.903 5.254 . 0 0 "[ . 1 . 2]" 1
15 1 3 VAL MG2 1 16 PHE QD 2.500 . 6.500 4.495 4.018 4.730 . 0 0 "[ . 1 . 2]" 1
16 1 3 VAL HB 1 16 PHE QD 2.500 . 6.000 3.075 2.398 3.352 . 0 0 "[ . 1 . 2]" 1
17 1 3 VAL MG1 1 16 PHE QD 2.500 . 5.500 2.689 2.394 3.000 . 0 0 "[ . 1 . 2]" 1
18 1 3 VAL MG1 1 16 PHE QE 2.500 . 6.500 2.349 2.076 3.000 . 0 0 "[ . 1 . 2]" 1
19 1 3 VAL MG1 1 16 PHE HZ 2.500 . 6.500 4.105 3.537 4.901 . 0 0 "[ . 1 . 2]" 1
20 1 3 VAL MG2 1 16 PHE QE 2.500 . 6.500 4.262 3.494 4.682 . 0 0 "[ . 1 . 2]" 1
21 1 3 VAL HB 1 16 PHE HA 2.500 . 6.000 2.943 2.740 3.198 . 0 0 "[ . 1 . 2]" 1
22 1 3 VAL MG2 1 16 PHE HA 2.500 . 6.500 4.331 4.087 4.465 . 0 0 "[ . 1 . 2]" 1
23 1 3 VAL MG1 1 16 PHE HA 2.500 . 6.500 3.886 3.504 4.198 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL MG1 1 47 LEU HG 2.500 . 6.500 4.486 4.277 4.730 . 0 0 "[ . 1 . 2]" 1
25 1 3 VAL HA 1 47 LEU QD 2.500 . 6.500 3.663 3.307 3.867 . 0 0 "[ . 1 . 2]" 1
26 1 3 VAL MG1 1 47 LEU QB 2.500 . 6.500 2.169 1.955 2.482 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL MG1 1 47 LEU HA 2.500 . 6.500 4.101 3.780 4.327 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL MG1 1 48 ILE HA 2.500 . 6.500 3.075 2.777 3.344 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL MG1 1 49 GLY QA 2.500 . 6.500 3.100 2.387 3.242 . 0 0 "[ . 1 . 2]" 1
30 1 3 VAL MG2 1 96 TYR QE 2.500 . 5.500 3.406 2.648 3.769 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL MG1 1 96 TYR QE 2.500 . 3.800 3.088 2.537 3.364 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL HB 1 96 TYR QE 2.500 . 6.000 3.578 3.207 3.874 . 0 0 "[ . 1 . 2]" 1
33 1 4 LYS QB 1 4 LYS QE 2.500 . 6.000 3.632 3.526 3.875 . 0 0 "[ . 1 . 2]" 1
34 1 4 LYS H 1 4 LYS QG 2.500 . 6.000 2.411 1.973 3.525 . 0 0 "[ . 1 . 2]" 1
35 1 4 LYS H 1 4 LYS QD 2.500 . 6.000 3.231 1.986 4.051 . 0 0 "[ . 1 . 2]" 1
36 1 4 LYS HA 1 5 GLY H 2.500 . 3.500 2.191 2.179 2.198 . 0 0 "[ . 1 . 2]" 1
37 1 4 LYS HA 1 17 SER QB 2.500 . 6.000 3.183 2.374 4.107 . 0 0 "[ . 1 . 2]" 1
38 1 4 LYS QB 1 40 VAL QG 2.500 . 6.500 3.109 2.899 3.430 . 0 0 "[ . 1 . 2]" 1
39 1 4 LYS QE 1 42 ALA HA 2.500 . 6.000 4.786 4.042 5.694 . 0 0 "[ . 1 . 2]" 1
40 1 4 LYS QB 1 48 ILE HA 2.500 . 6.000 2.870 2.719 3.181 . 0 0 "[ . 1 . 2]" 1
41 1 4 LYS QB 1 48 ILE MG 2.500 . 6.500 2.899 2.649 3.177 . 0 0 "[ . 1 . 2]" 1
42 1 4 LYS H 1 48 ILE HA 2.500 . 5.000 3.751 3.634 3.895 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLY QA 1 16 PHE QD 2.500 . 6.000 2.384 2.217 3.319 . 0 0 "[ . 1 . 2]" 1
44 1 5 GLY H 1 17 SER HA 2.500 . 6.000 5.833 5.136 6.098 0.098 11 0 "[ . 1 . 2]" 1
45 1 5 GLY QA 1 40 VAL QG 2.500 . 5.500 3.013 2.310 3.249 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLY QA 1 123 PHE HZ 2.500 . 5.000 2.818 2.320 3.279 . 0 0 "[ . 1 . 2]" 1
47 1 6 CYS HA 1 18 LYS QB 2.500 . 6.000 2.847 2.285 3.599 . 0 0 "[ . 1 . 2]" 1
48 1 6 CYS QB 1 20 TYR QE 2.500 . 6.000 4.095 3.803 4.295 . 0 0 "[ . 1 . 2]" 1
49 1 6 CYS QB 1 38 CYS QB 2.500 . 6.000 2.047 2.008 2.068 . 0 0 "[ . 1 . 2]" 1
50 1 6 CYS QB 1 123 PHE QD 2.500 . 6.000 2.098 2.021 2.165 . 0 0 "[ . 1 . 2]" 1
51 1 6 CYS QB 1 123 PHE QE 2.500 . 6.000 2.872 2.402 3.230 . 0 0 "[ . 1 . 2]" 1
52 1 7 ASP QB 1 13 SER QB 2.500 . 6.000 2.472 2.075 2.958 . 0 0 "[ . 1 . 2]" 1
53 1 7 ASP QB 1 13 SER HA 2.500 . 6.000 4.236 4.109 4.405 . 0 0 "[ . 1 . 2]" 1
54 1 7 ASP H 1 16 PHE QB 2.500 . 6.000 3.790 3.616 4.002 . 0 0 "[ . 1 . 2]" 1
55 1 7 ASP QB 1 16 PHE QD 2.500 . 6.000 2.783 2.290 3.062 . 0 0 "[ . 1 . 2]" 1
56 1 7 ASP H 1 19 GLY QA 2.500 . 6.000 1.810 1.708 2.258 0.092 8 0 "[ . 1 . 2]" 1
57 1 7 ASP QB 1 19 GLY QA 2.500 . 6.000 2.134 2.000 2.272 . 0 0 "[ . 1 . 2]" 1
58 1 7 ASP HA 1 51 LYS QB 2.500 . 6.000 2.985 2.893 3.042 . 0 0 "[ . 1 . 2]" 1
59 1 8 PHE HA 1 8 PHE QD 2.500 . 6.000 2.673 2.472 2.818 . 0 0 "[ . 1 . 2]" 1
60 1 8 PHE QB 1 8 PHE QD 2.500 . 6.000 2.149 2.145 2.153 . 0 0 "[ . 1 . 2]" 1
61 1 8 PHE H 1 9 THR MG 2.500 . 6.500 5.541 5.518 5.583 . 0 0 "[ . 1 . 2]" 1
62 1 8 PHE HA 1 9 THR H 2.500 . 6.000 3.278 3.251 3.294 . 0 0 "[ . 1 . 2]" 1
63 1 8 PHE HA 1 20 TYR QD 2.500 . 6.000 4.124 3.724 4.542 . 0 0 "[ . 1 . 2]" 1
64 1 8 PHE QD 1 20 TYR QD 2.500 . 5.000 4.267 3.848 4.703 . 0 0 "[ . 1 . 2]" 1
65 1 8 PHE HA 1 20 TYR QB 2.500 . 5.000 2.738 2.502 2.974 . 0 0 "[ . 1 . 2]" 1
66 1 8 PHE HA 1 20 TYR H 2.500 . 6.000 3.223 2.992 3.620 . 0 0 "[ . 1 . 2]" 1
67 1 8 PHE QD 1 25 ILE MG 2.500 . 6.500 2.446 2.040 3.153 . 0 0 "[ . 1 . 2]" 1
68 1 8 PHE QB 1 25 ILE MD 2.500 . 6.500 3.262 2.345 4.705 . 0 0 "[ . 1 . 2]" 1
69 1 8 PHE QB 1 25 ILE MG 2.500 . 6.500 3.459 2.686 4.329 . 0 0 "[ . 1 . 2]" 1
70 1 8 PHE QD 1 25 ILE MD 2.500 . 6.500 3.630 2.807 4.535 . 0 0 "[ . 1 . 2]" 1
71 1 8 PHE QD 1 36 ILE MG 2.500 . 6.500 3.388 2.981 3.707 . 0 0 "[ . 1 . 2]" 1
72 1 8 PHE QB 1 52 CYS HA 2.500 . 6.000 2.325 2.241 2.501 . 0 0 "[ . 1 . 2]" 1
73 1 8 PHE QD 1 52 CYS HA 2.500 . 6.000 2.958 2.825 3.175 . 0 0 "[ . 1 . 2]" 1
74 1 8 PHE QB 1 53 PRO QD 2.500 . 6.000 2.033 1.984 2.075 . 0 0 "[ . 1 . 2]" 1
75 1 8 PHE QD 1 53 PRO QD 2.500 . 6.000 3.657 3.474 3.792 . 0 0 "[ . 1 . 2]" 1
76 1 8 PHE QD 1 121 LEU QD 2.500 . 6.500 2.467 2.297 2.801 . 0 0 "[ . 1 . 2]" 1
77 1 8 PHE QB 1 121 LEU QD 2.500 . 6.500 2.171 2.042 2.483 . 0 0 "[ . 1 . 2]" 1
78 1 8 PHE QE 1 121 LEU QB 2.500 . 6.000 3.055 2.829 3.258 . 0 0 "[ . 1 . 2]" 1
79 1 9 THR HA 1 9 THR MG 2.500 . 5.500 2.262 2.197 2.321 . 0 0 "[ . 1 . 2]" 1
80 1 9 THR H 1 9 THR MG 2.500 . 6.500 3.827 3.796 3.858 . 0 0 "[ . 1 . 2]" 1
81 1 9 THR HB 1 10 THR H 2.500 . 6.000 3.152 3.070 3.200 . 0 0 "[ . 1 . 2]" 1
82 1 9 THR MG 1 51 LYS QG 2.500 . 6.500 4.065 3.696 4.222 . 0 0 "[ . 1 . 2]" 1
83 1 9 THR MG 1 51 LYS QB 2.500 . 6.500 5.215 4.754 5.451 . 0 0 "[ . 1 . 2]" 1
84 1 9 THR MG 1 52 CYS HA 2.500 . 6.500 5.213 4.999 5.479 . 0 0 "[ . 1 . 2]" 1
85 1 9 THR MG 1 53 PRO QB 2.500 . 6.500 2.872 2.288 3.425 . 0 0 "[ . 1 . 2]" 1
86 1 9 THR MG 1 53 PRO QD 2.500 . 6.500 3.900 3.576 4.195 . 0 0 "[ . 1 . 2]" 1
87 1 10 THR H 1 10 THR MG 2.500 . 6.500 4.023 3.991 4.053 . 0 0 "[ . 1 . 2]" 1
88 1 10 THR HB 1 11 SER H 2.500 . 6.000 4.158 4.017 4.289 . 0 0 "[ . 1 . 2]" 1
89 1 10 THR HA 1 11 SER H 2.500 . 2.900 2.204 2.193 2.212 . 0 0 "[ . 1 . 2]" 1
90 1 10 THR MG 1 11 SER HA 2.500 . 6.500 4.341 4.254 4.420 . 0 0 "[ . 1 . 2]" 1
91 1 10 THR HB 1 12 GLU H 2.500 . 6.000 3.692 3.392 3.989 . 0 0 "[ . 1 . 2]" 1
92 1 10 THR HA 1 12 GLU H 2.500 . 6.000 3.673 3.623 3.756 . 0 0 "[ . 1 . 2]" 1
93 1 10 THR MG 1 13 SER QB 2.500 . 6.500 4.347 3.965 5.064 . 0 0 "[ . 1 . 2]" 1
94 1 10 THR MG 1 13 SER HA 2.500 . 3.800 3.185 2.784 3.812 0.012 14 0 "[ . 1 . 2]" 1
95 1 11 SER H 1 11 SER QB 2.500 . 6.000 2.444 2.194 2.603 . 0 0 "[ . 1 . 2]" 1
96 1 11 SER H 1 11 SER HA 2.500 . 5.000 2.868 2.833 2.899 . 0 0 "[ . 1 . 2]" 1
97 1 11 SER HA 1 19 GLY QA 2.500 . 5.000 2.752 2.404 2.964 . 0 0 "[ . 1 . 2]" 1
98 1 11 SER HA 1 20 TYR HA 2.500 . 6.000 3.204 2.768 3.720 . 0 0 "[ . 1 . 2]" 1
99 1 11 SER QB 1 21 SER QB 2.500 . 6.000 2.371 2.185 3.128 . 0 0 "[ . 1 . 2]" 1
100 1 11 SER H 1 21 SER QB 2.500 . 6.000 4.123 3.552 4.564 . 0 0 "[ . 1 . 2]" 1
101 1 11 SER HA 1 21 SER H 2.500 . 6.000 4.198 3.987 4.449 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLU H 1 12 GLU QB 2.500 . 6.000 2.481 2.443 2.518 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLU HA 1 12 GLU QB 2.500 . 6.000 2.393 2.377 2.405 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLU HA 1 12 GLU QG 2.500 . 6.000 2.502 2.264 2.862 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLU H 1 12 GLU QG 2.500 . 6.000 2.980 2.663 3.519 . 0 0 "[ . 1 . 2]" 1
106 1 12 GLU H 1 12 GLU HA 2.500 . 6.000 2.996 2.992 3.000 . 0 0 "[ . 1 . 2]" 1
107 1 12 GLU HA 1 13 SER H 2.500 . 2.900 2.440 2.214 2.481 . 0 0 "[ . 1 . 2]" 1
108 1 13 SER H 1 13 SER QB 2.500 . 6.000 2.474 2.257 2.718 . 0 0 "[ . 1 . 2]" 1
109 1 13 SER H 1 13 SER HA 2.500 . 6.000 2.894 2.865 2.991 . 0 0 "[ . 1 . 2]" 1
110 1 13 SER HA 1 14 THR MG 2.500 . 6.500 3.567 3.343 4.053 . 0 0 "[ . 1 . 2]" 1
111 1 14 THR H 1 14 THR HB 2.500 . 6.000 2.961 2.453 3.186 . 0 0 "[ . 1 . 2]" 1
112 1 14 THR H 1 14 THR MG 2.500 . 6.500 1.894 1.733 2.210 0.067 15 0 "[ . 1 . 2]" 1
113 1 14 THR H 1 14 THR HA 2.500 . 6.000 2.958 2.874 2.988 . 0 0 "[ . 1 . 2]" 1
114 1 14 THR HB 1 15 ILE H 2.500 . 6.000 4.389 3.914 4.486 . 0 0 "[ . 1 . 2]" 1
115 1 14 THR H 1 15 ILE QG 2.500 . 6.000 3.044 2.830 3.396 . 0 0 "[ . 1 . 2]" 1
116 1 14 THR MG 1 15 ILE H 2.500 . 6.500 2.760 1.694 2.913 0.106 15 0 "[ . 1 . 2]" 1
117 1 15 ILE QG 1 15 ILE MG 2.500 . 6.500 2.234 2.160 2.294 . 0 0 "[ . 1 . 2]" 1
118 1 15 ILE HA 1 15 ILE HB 2.500 . 6.000 2.570 2.516 2.601 . 0 0 "[ . 1 . 2]" 1
119 1 15 ILE H 1 15 ILE HA 2.500 . 6.000 2.990 2.935 2.996 . 0 0 "[ . 1 . 2]" 1
120 1 15 ILE HA 1 15 ILE MG 2.500 . 5.500 2.255 2.194 2.352 . 0 0 "[ . 1 . 2]" 1
121 1 15 ILE HA 1 15 ILE QG 2.500 . 6.000 3.278 3.261 3.295 . 0 0 "[ . 1 . 2]" 1
122 1 15 ILE HB 1 15 ILE QG 2.500 . 6.000 2.423 2.392 2.456 . 0 0 "[ . 1 . 2]" 1
123 1 15 ILE H 1 15 ILE HB 2.500 . 6.000 3.724 3.621 3.777 . 0 0 "[ . 1 . 2]" 1
124 1 15 ILE HB 1 15 ILE MD 2.500 . 6.500 2.278 2.203 2.352 . 0 0 "[ . 1 . 2]" 1
125 1 15 ILE H 1 15 ILE MG 2.500 . 6.500 3.057 2.512 3.169 . 0 0 "[ . 1 . 2]" 1
126 1 15 ILE HA 1 15 ILE MD 2.500 . 6.500 4.131 4.122 4.138 . 0 0 "[ . 1 . 2]" 1
127 1 15 ILE MD 1 15 ILE MG 2.500 . 4.300 1.946 1.811 2.058 . 0 0 "[ . 1 . 2]" 1
128 1 15 ILE H 1 15 ILE MD 2.500 . 6.500 3.749 3.565 3.811 . 0 0 "[ . 1 . 2]" 1
129 1 15 ILE H 1 16 PHE QD 2.500 . 6.000 4.099 3.781 4.482 . 0 0 "[ . 1 . 2]" 1
130 1 15 ILE MG 1 16 PHE QD 2.500 . 6.500 4.827 4.743 4.964 . 0 0 "[ . 1 . 2]" 1
131 1 15 ILE MG 1 16 PHE QE 2.500 . 6.500 4.836 4.663 5.018 . 0 0 "[ . 1 . 2]" 1
132 1 15 ILE QG 1 16 PHE QD 2.500 . 6.000 2.279 2.223 2.514 . 0 0 "[ . 1 . 2]" 1
133 1 15 ILE HB 1 16 PHE QE 2.500 . 6.000 4.262 4.044 4.734 . 0 0 "[ . 1 . 2]" 1
134 1 15 ILE HB 1 16 PHE QD 2.500 . 6.000 4.200 3.928 4.671 . 0 0 "[ . 1 . 2]" 1
135 1 15 ILE MD 1 16 PHE QE 2.500 . 6.500 2.199 2.043 2.568 . 0 0 "[ . 1 . 2]" 1
136 1 15 ILE MD 1 16 PHE H 2.500 . 6.500 3.992 3.625 4.322 . 0 0 "[ . 1 . 2]" 1
137 1 15 ILE MD 1 16 PHE QD 2.500 . 6.500 2.852 2.549 3.416 . 0 0 "[ . 1 . 2]" 1
138 1 15 ILE MD 1 51 LYS QG 2.500 . 6.500 4.396 4.093 4.977 . 0 0 "[ . 1 . 2]" 1
139 1 15 ILE MG 1 96 TYR QE 2.500 . 6.500 4.495 4.287 4.987 . 0 0 "[ . 1 . 2]" 1
140 1 15 ILE MD 1 96 TYR QE 2.500 . 6.500 3.022 2.460 3.628 . 0 0 "[ . 1 . 2]" 1
141 1 16 PHE QB 1 16 PHE QD 2.500 . 6.000 2.155 2.151 2.158 . 0 0 "[ . 1 . 2]" 1
142 1 16 PHE HA 1 16 PHE QD 2.500 . 6.000 2.468 2.409 2.537 . 0 0 "[ . 1 . 2]" 1
143 1 16 PHE H 1 16 PHE QD 2.500 . 6.000 3.145 2.851 3.300 . 0 0 "[ . 1 . 2]" 1
144 1 16 PHE H 1 16 PHE QB 2.500 . 6.000 2.476 2.404 2.586 . 0 0 "[ . 1 . 2]" 1
145 1 16 PHE H 1 16 PHE HA 2.500 . 6.000 2.994 2.979 3.003 . 0 0 "[ . 1 . 2]" 1
146 1 16 PHE QB 1 19 GLY QA 2.500 . 6.000 4.073 3.980 4.239 . 0 0 "[ . 1 . 2]" 1
147 1 16 PHE QD 1 47 LEU QD 2.500 . 6.500 6.564 6.408 6.661 0.161 10 0 "[ . 1 . 2]" 1
148 1 16 PHE QE 1 49 GLY QA 2.500 . 6.000 2.687 2.422 3.159 . 0 0 "[ . 1 . 2]" 1
149 1 16 PHE QD 1 50 PHE HA 2.500 . 6.000 3.784 3.485 3.970 . 0 0 "[ . 1 . 2]" 1
150 1 16 PHE QE 1 51 LYS QB 2.500 . 6.000 2.179 2.054 2.240 . 0 0 "[ . 1 . 2]" 1
151 1 16 PHE QE 1 51 LYS QG 2.500 . 6.000 4.151 3.722 4.331 . 0 0 "[ . 1 . 2]" 1
152 1 16 PHE QD 1 51 LYS QB 2.500 . 6.000 3.368 3.148 3.615 . 0 0 "[ . 1 . 2]" 1
153 1 16 PHE QE 1 94 THR MG 2.500 . 6.500 4.906 4.578 5.207 . 0 0 "[ . 1 . 2]" 1
154 1 17 SER H 1 17 SER QB 2.500 . 6.000 2.356 2.242 2.608 . 0 0 "[ . 1 . 2]" 1
155 1 17 SER H 1 17 SER HA 2.500 . 6.000 2.887 2.864 2.917 . 0 0 "[ . 1 . 2]" 1
156 1 18 LYS H 1 18 LYS QB 2.500 . 6.000 2.620 2.520 2.708 . 0 0 "[ . 1 . 2]" 1
157 1 18 LYS QG 1 19 GLY QA 2.500 . 6.000 4.742 3.254 5.510 . 0 0 "[ . 1 . 2]" 1
158 1 18 LYS QD 1 20 TYR QE 2.500 . 6.000 4.441 2.520 5.456 . 0 0 "[ . 1 . 2]" 1
159 1 18 LYS QE 1 40 VAL QG 2.500 . 6.500 3.415 2.033 4.406 . 0 0 "[ . 1 . 2]" 1
160 1 19 GLY QA 1 20 TYR QD 2.500 . 6.000 2.914 2.772 3.609 . 0 0 "[ . 1 . 2]" 1
161 1 20 TYR H 1 20 TYR QD 2.500 . 5.000 2.777 2.674 3.226 . 0 0 "[ . 1 . 2]" 1
162 1 20 TYR QB 1 20 TYR QD 2.500 . 5.000 2.152 2.148 2.154 . 0 0 "[ . 1 . 2]" 1
163 1 20 TYR H 1 20 TYR QB 2.500 . 6.000 2.482 2.411 2.564 . 0 0 "[ . 1 . 2]" 1
164 1 20 TYR HA 1 20 TYR QB 2.500 . 6.000 2.441 2.419 2.454 . 0 0 "[ . 1 . 2]" 1
165 1 20 TYR QD 1 21 SER H 2.500 . 6.000 3.707 3.378 3.980 . 0 0 "[ . 1 . 2]" 1
166 1 20 TYR QD 1 24 GLU QB 2.500 . 6.000 2.604 2.144 3.683 . 0 0 "[ . 1 . 2]" 1
167 1 20 TYR QB 1 24 GLU QB 2.500 . 6.000 2.753 2.447 3.245 . 0 0 "[ . 1 . 2]" 1
168 1 20 TYR QD 1 24 GLU QG 2.500 . 6.000 3.788 2.261 4.958 . 0 0 "[ . 1 . 2]" 1
169 1 20 TYR QB 1 25 ILE MG 2.500 . 6.500 2.532 2.117 3.588 . 0 0 "[ . 1 . 2]" 1
170 1 20 TYR QE 1 25 ILE MG 2.500 . 6.500 4.657 4.285 4.971 . 0 0 "[ . 1 . 2]" 1
171 1 20 TYR QD 1 25 ILE MG 2.500 . 6.500 3.472 2.805 4.679 . 0 0 "[ . 1 . 2]" 1
172 1 20 TYR QB 1 25 ILE MD 2.500 . 6.500 4.101 3.631 5.092 . 0 0 "[ . 1 . 2]" 1
173 1 20 TYR QD 1 25 ILE MD 2.500 . 6.500 4.825 4.368 5.535 . 0 0 "[ . 1 . 2]" 1
174 1 20 TYR QE 1 25 ILE MD 2.500 . 6.500 4.239 3.473 4.881 . 0 0 "[ . 1 . 2]" 1
175 1 20 TYR QD 1 36 ILE MD 2.500 . 6.500 4.905 4.433 5.602 . 0 0 "[ . 1 . 2]" 1
176 1 20 TYR QD 1 36 ILE MG 2.500 . 6.500 3.627 3.155 3.985 . 0 0 "[ . 1 . 2]" 1
177 1 20 TYR QB 1 36 ILE MG 2.500 . 6.500 3.859 3.498 4.316 . 0 0 "[ . 1 . 2]" 1
178 1 20 TYR QE 1 36 ILE MG 2.500 . 3.800 3.601 3.160 3.845 0.045 19 0 "[ . 1 . 2]" 1
179 1 20 TYR QE 1 36 ILE MD 2.500 . 6.500 4.918 4.304 5.654 . 0 0 "[ . 1 . 2]" 1
180 1 20 TYR QE 1 38 CYS QB 2.500 . 6.000 3.493 3.146 3.774 . 0 0 "[ . 1 . 2]" 1
181 1 21 SER QB 1 22 ILE H 2.500 . 6.000 3.461 3.251 3.540 . 0 0 "[ . 1 . 2]" 1
182 1 21 SER HA 1 22 ILE MG 2.500 . 6.500 3.718 3.645 3.790 . 0 0 "[ . 1 . 2]" 1
183 1 21 SER QB 1 24 GLU QG 2.500 . 6.000 2.331 2.160 3.244 . 0 0 "[ . 1 . 2]" 1
184 1 21 SER QB 1 24 GLU QB 2.500 . 6.000 3.267 2.742 4.498 . 0 0 "[ . 1 . 2]" 1
185 1 21 SER H 1 24 GLU QG 2.500 . 6.000 2.881 2.141 3.702 . 0 0 "[ . 1 . 2]" 1
186 1 22 ILE HA 1 22 ILE QG 2.500 . 6.000 3.308 3.303 3.315 . 0 0 "[ . 1 . 2]" 1
187 1 22 ILE H 1 22 ILE QG 2.500 . 6.000 2.046 1.985 2.138 . 0 0 "[ . 1 . 2]" 1
188 1 22 ILE H 1 22 ILE HA 2.500 . 5.000 2.830 2.778 2.859 . 0 0 "[ . 1 . 2]" 1
189 1 22 ILE HA 1 22 ILE HB 2.500 . 3.300 2.472 2.463 2.490 . 0 0 "[ . 1 . 2]" 1
190 1 22 ILE H 1 22 ILE MG 2.500 . 5.500 2.031 1.925 2.113 . 0 0 "[ . 1 . 2]" 1
191 1 22 ILE HA 1 22 ILE MG 2.500 . 5.500 2.338 2.278 2.385 . 0 0 "[ . 1 . 2]" 1
192 1 22 ILE H 1 22 ILE HB 2.500 . 5.000 3.626 3.622 3.632 . 0 0 "[ . 1 . 2]" 1
193 1 22 ILE H 1 22 ILE MD 2.500 . 6.500 3.646 3.612 3.780 . 0 0 "[ . 1 . 2]" 1
194 1 22 ILE MD 1 23 ASN H 2.500 . 6.500 3.930 3.816 4.139 . 0 0 "[ . 1 . 2]" 1
195 1 22 ILE HA 1 25 ILE HB 2.500 . 5.000 4.903 4.747 5.098 0.098 3 0 "[ . 1 . 2]" 1
196 1 22 ILE MD 1 26 SER QB 2.500 . 5.500 5.030 4.221 5.635 0.135 18 0 "[ . 1 . 2]" 1
197 1 23 ASN HA 1 26 SER QB 2.500 . 5.000 2.870 2.254 4.030 . 0 0 "[ . 1 . 2]" 1
198 1 24 GLU H 1 24 GLU HA 2.500 . 5.000 2.831 2.762 2.883 . 0 0 "[ . 1 . 2]" 1
199 1 24 GLU H 1 24 GLU QG 2.500 . 5.000 2.164 2.014 2.294 . 0 0 "[ . 1 . 2]" 1
200 1 24 GLU QG 1 25 ILE H 2.500 . 6.000 4.102 4.002 4.169 . 0 0 "[ . 1 . 2]" 1
201 1 24 GLU QB 1 36 ILE MD 2.500 . 6.500 4.718 3.518 5.298 . 0 0 "[ . 1 . 2]" 1
202 1 24 GLU HA 1 36 ILE MD 2.500 . 6.500 5.792 4.800 6.425 . 0 0 "[ . 1 . 2]" 1
203 1 25 ILE H 1 25 ILE QG 2.500 . 6.000 1.902 1.767 2.251 0.033 12 0 "[ . 1 . 2]" 1
204 1 25 ILE HB 1 25 ILE QG 2.500 . 6.000 2.392 2.303 2.449 . 0 0 "[ . 1 . 2]" 1
205 1 25 ILE HA 1 25 ILE HB 2.500 . 3.300 2.496 2.353 2.544 . 0 0 "[ . 1 . 2]" 1
206 1 25 ILE H 1 25 ILE HA 2.500 . 5.000 2.910 2.856 2.979 . 0 0 "[ . 1 . 2]" 1
207 1 25 ILE HA 1 25 ILE MG 2.500 . 3.800 2.297 2.195 2.502 . 0 0 "[ . 1 . 2]" 1
208 1 25 ILE H 1 25 ILE HB 2.500 . 6.000 3.641 3.615 3.726 . 0 0 "[ . 1 . 2]" 1
209 1 25 ILE H 1 25 ILE MD 2.500 . 6.500 3.583 3.410 3.660 . 0 0 "[ . 1 . 2]" 1
210 1 25 ILE QG 1 26 SER QB 2.500 . 6.000 3.231 2.542 4.385 . 0 0 "[ . 1 . 2]" 1
211 1 25 ILE H 1 26 SER QB 2.500 . 6.000 4.528 4.154 5.036 . 0 0 "[ . 1 . 2]" 1
212 1 25 ILE HA 1 26 SER H 2.500 . 3.500 3.450 3.328 3.568 0.068 12 0 "[ . 1 . 2]" 1
213 1 25 ILE HB 1 26 SER H 2.500 . 6.000 3.968 3.498 4.413 . 0 0 "[ . 1 . 2]" 1
214 1 25 ILE MD 1 26 SER H 2.500 . 6.500 4.109 3.600 4.517 . 0 0 "[ . 1 . 2]" 1
215 1 25 ILE HA 1 36 ILE MD 2.500 . 5.500 2.874 2.177 3.814 . 0 0 "[ . 1 . 2]" 1
216 1 25 ILE HA 1 36 ILE MG 2.500 . 6.500 3.780 2.745 5.163 . 0 0 "[ . 1 . 2]" 1
217 1 25 ILE MG 1 36 ILE MD 2.500 . 4.300 3.338 2.765 4.020 . 0 0 "[ . 1 . 2]" 1
218 1 25 ILE MG 1 36 ILE MG 2.500 . 6.000 2.502 2.092 3.207 . 0 0 "[ . 1 . 2]" 1
219 1 25 ILE MD 1 36 ILE MG 2.500 . 6.000 4.834 4.161 5.269 . 0 0 "[ . 1 . 2]" 1
220 1 25 ILE MD 1 56 TYR QE 2.500 . 6.500 4.274 3.478 4.953 . 0 0 "[ . 1 . 2]" 1
221 1 25 ILE MD 1 118 GLU QB 2.500 . 6.500 6.473 5.951 6.582 0.082 3 0 "[ . 1 . 2]" 1
222 1 25 ILE MD 1 121 LEU QD 2.500 . 6.000 2.567 2.127 3.291 . 0 0 "[ . 1 . 2]" 1
223 1 25 ILE MG 1 121 LEU QD 2.500 . 4.300 2.384 1.958 2.795 . 0 0 "[ . 1 . 2]" 1
224 1 25 ILE HB 1 121 LEU QD 2.500 . 6.500 2.647 2.150 3.652 . 0 0 "[ . 1 . 2]" 1
225 1 28 LYS HA 1 28 LYS QB 2.500 . 6.000 2.359 2.190 2.499 . 0 0 "[ . 1 . 2]" 1
226 1 30 SER H 1 30 SER HA 2.500 . 6.000 2.883 2.724 3.000 . 0 0 "[ . 1 . 2]" 1
227 1 32 ASN QD 1 36 ILE HA 2.500 . 6.000 4.728 1.953 6.086 0.086 15 0 "[ . 1 . 2]" 1
228 1 33 GLN QB 1 34 GLN H 2.500 . 6.000 3.019 1.721 4.050 0.079 10 0 "[ . 1 . 2]" 1
229 1 33 GLN HA 1 34 GLN H 2.500 . 5.000 3.023 2.183 3.588 . 0 0 "[ . 1 . 2]" 1
230 1 35 ASP QB 1 36 ILE H 2.500 . 6.000 3.435 2.985 3.699 . 0 0 "[ . 1 . 2]" 1
231 1 35 ASP QB 1 120 LYS QB 2.500 . 6.000 4.972 3.732 5.777 . 0 0 "[ . 1 . 2]" 1
232 1 35 ASP QB 1 122 VAL MG1 2.500 . 5.500 4.933 3.985 5.585 0.085 19 0 "[ . 1 . 2]" 1
233 1 35 ASP HA 1 122 VAL MG1 2.500 . 6.500 6.349 6.044 6.569 0.069 9 0 "[ . 1 . 2]" 1
234 1 36 ILE HA 1 36 ILE QG 2.500 . 6.000 3.063 2.996 3.171 . 0 0 "[ . 1 . 2]" 1
235 1 36 ILE HA 1 36 ILE MD 2.500 . 6.500 2.082 2.037 2.161 . 0 0 "[ . 1 . 2]" 1
236 1 36 ILE H 1 36 ILE HA 2.500 . 6.000 2.971 2.939 2.995 . 0 0 "[ . 1 . 2]" 1
237 1 36 ILE HA 1 36 ILE MG 2.500 . 5.500 2.277 2.185 2.359 . 0 0 "[ . 1 . 2]" 1
238 1 36 ILE HA 1 36 ILE HB 2.500 . 6.000 3.029 3.015 3.039 . 0 0 "[ . 1 . 2]" 1
239 1 36 ILE H 1 36 ILE MG 2.500 . 6.500 3.823 3.790 3.847 . 0 0 "[ . 1 . 2]" 1
240 1 36 ILE H 1 36 ILE HB 2.500 . 5.000 2.630 2.537 2.763 . 0 0 "[ . 1 . 2]" 1
241 1 36 ILE H 1 36 ILE MD 2.500 . 6.500 3.110 2.763 3.280 . 0 0 "[ . 1 . 2]" 1
242 1 36 ILE HA 1 37 VAL MG2 2.500 . 6.500 3.817 3.623 3.927 . 0 0 "[ . 1 . 2]" 1
243 1 36 ILE HB 1 37 VAL H 2.500 . 6.000 4.187 4.105 4.268 . 0 0 "[ . 1 . 2]" 1
244 1 36 ILE MD 1 37 VAL H 2.500 . 6.500 3.785 3.624 4.015 . 0 0 "[ . 1 . 2]" 1
245 1 36 ILE HA 1 37 VAL HB 2.500 . 6.000 4.546 4.497 4.675 . 0 0 "[ . 1 . 2]" 1
246 1 36 ILE MG 1 38 CYS QB 2.500 . 6.500 4.857 4.732 5.027 . 0 0 "[ . 1 . 2]" 1
247 1 36 ILE MG 1 38 CYS H 2.500 . 6.500 4.421 4.277 4.631 . 0 0 "[ . 1 . 2]" 1
248 1 36 ILE MD 1 119 LYS QG 2.500 . 5.500 5.102 4.551 5.485 . 0 0 "[ . 1 . 2]" 1
249 1 36 ILE MD 1 119 LYS QD 2.500 . 6.500 4.060 3.146 5.253 . 0 0 "[ . 1 . 2]" 1
250 1 36 ILE MD 1 119 LYS QE 2.500 . 6.500 4.642 2.326 6.242 . 0 0 "[ . 1 . 2]" 1
251 1 36 ILE HB 1 121 LEU HA 2.500 . 6.000 2.359 2.259 2.607 . 0 0 "[ . 1 . 2]" 1
252 1 36 ILE H 1 121 LEU QD 2.500 . 6.500 3.215 3.053 3.421 . 0 0 "[ . 1 . 2]" 1
253 1 36 ILE QG 1 121 LEU QD 2.500 . 6.500 2.115 1.864 2.383 . 0 0 "[ . 1 . 2]" 1
254 1 36 ILE HB 1 121 LEU QD 2.500 . 3.800 2.133 2.034 2.251 . 0 0 "[ . 1 . 2]" 1
255 1 36 ILE MG 1 122 VAL H 2.500 . 6.500 4.004 3.798 4.317 . 0 0 "[ . 1 . 2]" 1
256 1 36 ILE HB 1 122 VAL H 2.500 . 6.000 3.061 2.715 3.301 . 0 0 "[ . 1 . 2]" 1
257 1 37 VAL HA 1 37 VAL MG1 2.500 . 3.800 2.372 2.272 2.416 . 0 0 "[ . 1 . 2]" 1
258 1 37 VAL HA 1 37 VAL MG2 2.500 . 3.800 2.344 2.318 2.419 . 0 0 "[ . 1 . 2]" 1
259 1 37 VAL H 1 37 VAL HA 2.500 . 6.000 2.997 2.991 3.003 . 0 0 "[ . 1 . 2]" 1
260 1 37 VAL HA 1 38 CYS H 2.500 . 3.500 2.185 2.177 2.192 . 0 0 "[ . 1 . 2]" 1
261 1 37 VAL MG1 1 39 THR HA 2.500 . 6.500 3.644 3.551 3.786 . 0 0 "[ . 1 . 2]" 1
262 1 37 VAL MG1 1 110 PHE QB 2.500 . 6.500 4.497 4.261 4.629 . 0 0 "[ . 1 . 2]" 1
263 1 37 VAL MG1 1 110 PHE HA 2.500 . 6.500 6.370 6.139 6.523 0.023 7 0 "[ . 1 . 2]" 1
264 1 37 VAL HA 1 122 VAL HB 2.500 . 5.000 2.419 2.285 2.532 . 0 0 "[ . 1 . 2]" 1
265 1 37 VAL HA 1 122 VAL H 2.500 . 6.000 3.230 3.079 3.455 . 0 0 "[ . 1 . 2]" 1
266 1 37 VAL MG1 1 123 PHE HA 2.500 . 6.500 4.270 4.146 4.377 . 0 0 "[ . 1 . 2]" 1
267 1 37 VAL MG1 1 124 THR HB 2.500 . 6.500 3.019 2.721 3.182 . 0 0 "[ . 1 . 2]" 1
268 1 37 VAL MG1 1 124 THR H 2.500 . 6.500 3.522 3.358 3.674 . 0 0 "[ . 1 . 2]" 1
269 1 37 VAL MG1 1 124 THR HA 2.500 . 6.500 4.892 4.678 5.057 . 0 0 "[ . 1 . 2]" 1
270 1 38 CYS HA 1 38 CYS QB 2.500 . 6.000 2.390 2.365 2.421 . 0 0 "[ . 1 . 2]" 1
271 1 38 CYS H 1 38 CYS QB 2.500 . 6.000 2.440 2.377 2.496 . 0 0 "[ . 1 . 2]" 1
272 1 38 CYS H 1 38 CYS HA 2.500 . 6.000 2.987 2.983 2.990 . 0 0 "[ . 1 . 2]" 1
273 1 38 CYS HA 1 39 THR HB 2.500 . 6.000 4.725 4.690 4.769 . 0 0 "[ . 1 . 2]" 1
274 1 38 CYS QB 1 123 PHE QE 2.500 . 6.000 3.678 3.417 4.161 . 0 0 "[ . 1 . 2]" 1
275 1 38 CYS QB 1 123 PHE QD 2.500 . 6.000 2.345 2.241 2.995 . 0 0 "[ . 1 . 2]" 1
276 1 38 CYS QB 1 123 PHE HA 2.500 . 6.000 2.372 2.268 2.563 . 0 0 "[ . 1 . 2]" 1
277 1 38 CYS QB 1 123 PHE HZ 2.500 . 6.000 5.665 5.397 5.906 . 0 0 "[ . 1 . 2]" 1
278 1 38 CYS H 1 124 THR MG 2.500 . 6.500 3.255 3.040 3.474 . 0 0 "[ . 1 . 2]" 1
279 1 39 THR H 1 39 THR HB 2.500 . 5.000 2.470 2.433 2.510 . 0 0 "[ . 1 . 2]" 1
280 1 39 THR HA 1 39 THR MG 2.500 . 5.500 2.332 2.294 2.368 . 0 0 "[ . 1 . 2]" 1
281 1 39 THR H 1 39 THR HA 2.500 . 6.000 2.960 2.951 2.970 . 0 0 "[ . 1 . 2]" 1
282 1 39 THR HA 1 124 THR HB 2.500 . 5.000 4.812 4.680 4.910 . 0 0 "[ . 1 . 2]" 1
283 1 40 VAL H 1 40 VAL QG 2.500 . 5.500 2.171 2.080 2.216 . 0 0 "[ . 1 . 2]" 1
284 1 40 VAL H 1 40 VAL HA 2.500 . 6.000 2.983 2.977 2.996 . 0 0 "[ . 1 . 2]" 1
285 1 40 VAL H 1 40 VAL HB 2.500 . 6.000 3.880 3.850 3.945 . 0 0 "[ . 1 . 2]" 1
286 1 40 VAL HA 1 40 VAL HB 2.500 . 6.000 2.504 2.378 2.547 . 0 0 "[ . 1 . 2]" 1
287 1 40 VAL HA 1 41 LYS HA 2.500 . 6.000 4.421 4.410 4.428 . 0 0 "[ . 1 . 2]" 1
288 1 40 VAL HA 1 41 LYS QB 2.500 . 6.000 4.374 4.126 4.598 . 0 0 "[ . 1 . 2]" 1
289 1 40 VAL HB 1 41 LYS H 2.500 . 6.000 2.759 2.656 3.098 . 0 0 "[ . 1 . 2]" 1
290 1 40 VAL QG 1 123 PHE HZ 2.500 . 5.500 3.562 3.378 3.819 . 0 0 "[ . 1 . 2]" 1
291 1 40 VAL QG 1 123 PHE QD 2.500 . 6.500 3.977 3.754 4.262 . 0 0 "[ . 1 . 2]" 1
292 1 40 VAL HB 1 125 VAL QG 2.500 . 6.500 4.198 4.035 4.418 . 0 0 "[ . 1 . 2]" 1
293 1 40 VAL QG 1 125 VAL QG 2.500 . 4.300 1.932 1.870 1.988 . 0 0 "[ . 1 . 2]" 1
294 1 40 VAL HB 1 125 VAL HA 2.500 . 6.000 5.012 4.884 5.250 . 0 0 "[ . 1 . 2]" 1
295 1 41 LYS H 1 41 LYS QB 2.500 . 5.000 2.424 2.259 2.733 . 0 0 "[ . 1 . 2]" 1
296 1 41 LYS H 1 41 LYS HA 2.500 . 5.000 2.971 2.935 2.982 . 0 0 "[ . 1 . 2]" 1
297 1 41 LYS QD 1 42 ALA H 2.500 . 6.000 5.127 4.512 5.696 . 0 0 "[ . 1 . 2]" 1
298 1 41 LYS HA 1 42 ALA MB 2.500 . 6.500 4.020 3.987 4.060 . 0 0 "[ . 1 . 2]" 1
299 1 42 ALA H 1 42 ALA MB 2.500 . 4.000 2.323 2.239 2.373 . 0 0 "[ . 1 . 2]" 1
300 1 42 ALA MB 1 46 ASP QB 2.500 . 6.500 3.721 3.481 3.989 . 0 0 "[ . 1 . 2]" 1
301 1 42 ALA HA 1 48 ILE MG 2.500 . 6.500 3.214 3.040 3.364 . 0 0 "[ . 1 . 2]" 1
302 1 42 ALA MB 1 107 TRP HZ2 2.500 . 6.500 4.585 3.806 5.354 . 0 0 "[ . 1 . 2]" 1
303 1 42 ALA MB 1 107 TRP HH2 2.500 . 6.500 5.031 4.578 5.413 . 0 0 "[ . 1 . 2]" 1
304 1 42 ALA HA 1 125 VAL QG 2.500 . 6.500 4.560 4.367 4.680 . 0 0 "[ . 1 . 2]" 1
305 1 42 ALA MB 1 125 VAL QG 2.500 . 6.000 2.693 2.485 2.884 . 0 0 "[ . 1 . 2]" 1
306 1 42 ALA MB 1 125 VAL HB 2.500 . 3.800 2.761 2.534 3.033 . 0 0 "[ . 1 . 2]" 1
307 1 42 ALA MB 1 126 GLU H 2.500 . 6.500 3.879 3.624 4.161 . 0 0 "[ . 1 . 2]" 1
308 1 42 ALA H 1 127 ALA HA 2.500 . 6.000 3.915 3.730 4.088 . 0 0 "[ . 1 . 2]" 1
309 1 42 ALA MB 1 127 ALA HA 2.500 . 6.500 4.135 3.503 4.509 . 0 0 "[ . 1 . 2]" 1
310 1 42 ALA H 1 127 ALA MB 2.500 . 6.500 3.409 2.939 4.024 . 0 0 "[ . 1 . 2]" 1
311 1 43 HIS H 1 43 HIS HD2 2.500 . 6.000 5.448 5.238 5.560 . 0 0 "[ . 1 . 2]" 1
312 1 43 HIS HA 1 43 HIS HD2 2.500 . 6.000 3.827 3.120 4.495 . 0 0 "[ . 1 . 2]" 1
313 1 43 HIS QB 1 44 ALA MB 2.500 . 6.500 4.487 4.458 4.542 . 0 0 "[ . 1 . 2]" 1
314 1 43 HIS HA 1 44 ALA MB 2.500 . 6.500 4.107 4.069 4.154 . 0 0 "[ . 1 . 2]" 1
315 1 43 HIS HA 1 103 ILE MD 2.500 . 6.500 4.145 3.453 4.785 . 0 0 "[ . 1 . 2]" 1
316 1 43 HIS H 1 103 ILE MD 2.500 . 6.500 5.179 4.645 6.112 . 0 0 "[ . 1 . 2]" 1
317 1 44 ALA MB 1 45 ASN QB 2.500 . 6.500 3.983 3.680 4.266 . 0 0 "[ . 1 . 2]" 1
318 1 44 ALA MB 1 45 ASN HA 2.500 . 6.500 3.926 3.840 3.979 . 0 0 "[ . 1 . 2]" 1
319 1 44 ALA HA 1 99 LEU QB 2.500 . 6.000 2.143 2.023 2.361 . 0 0 "[ . 1 . 2]" 1
320 1 44 ALA MB 1 101 SER HA 2.500 . 3.800 2.256 2.067 2.561 . 0 0 "[ . 1 . 2]" 1
321 1 44 ALA MB 1 102 LEU HA 2.500 . 6.500 3.280 2.760 3.944 . 0 0 "[ . 1 . 2]" 1
322 1 44 ALA MB 1 103 ILE H 2.500 . 6.500 3.511 2.978 4.170 . 0 0 "[ . 1 . 2]" 1
323 1 44 ALA MB 1 103 ILE MD 2.500 . 6.000 2.657 2.381 2.900 . 0 0 "[ . 1 . 2]" 1
324 1 44 ALA HA 1 103 ILE MD 2.500 . 6.500 2.264 2.210 2.643 . 0 0 "[ . 1 . 2]" 1
325 1 44 ALA HA 1 103 ILE QG 2.500 . 6.000 3.614 3.161 4.084 . 0 0 "[ . 1 . 2]" 1
326 1 44 ALA HA 1 103 ILE MG 2.500 . 6.500 5.052 4.655 5.277 . 0 0 "[ . 1 . 2]" 1
327 1 45 ASN QB 1 46 ASP H 2.500 . 6.000 2.928 2.829 3.602 . 0 0 "[ . 1 . 2]" 1
328 1 45 ASN HA 1 46 ASP H 2.500 . 5.000 3.477 3.435 3.494 . 0 0 "[ . 1 . 2]" 1
329 1 45 ASN H 1 101 SER HA 2.500 . 6.000 5.221 4.632 5.953 . 0 0 "[ . 1 . 2]" 1
330 1 46 ASP HA 1 47 LEU QB 2.500 . 6.000 4.529 4.334 4.642 . 0 0 "[ . 1 . 2]" 1
331 1 46 ASP QB 1 48 ILE MG 2.500 . 5.500 3.557 3.441 3.694 . 0 0 "[ . 1 . 2]" 1
332 1 46 ASP H 1 99 LEU HG 2.500 . 6.000 6.058 5.981 6.153 0.153 14 0 "[ . 1 . 2]" 1
333 1 46 ASP H 1 99 LEU QD 2.500 . 6.500 4.283 4.007 4.820 . 0 0 "[ . 1 . 2]" 1
334 1 46 ASP QB 1 99 LEU QD 2.500 . 6.500 3.689 3.358 4.193 . 0 0 "[ . 1 . 2]" 1
335 1 47 LEU H 1 47 LEU QD 2.500 . 6.500 3.071 2.741 3.233 . 0 0 "[ . 1 . 2]" 1
336 1 47 LEU H 1 47 LEU HA 2.500 . 6.000 2.924 2.910 2.933 . 0 0 "[ . 1 . 2]" 1
337 1 47 LEU HG 1 48 ILE H 2.500 . 6.000 5.023 4.584 5.223 . 0 0 "[ . 1 . 2]" 1
338 1 47 LEU QD 1 48 ILE H 2.500 . 6.500 3.407 3.096 3.700 . 0 0 "[ . 1 . 2]" 1
339 1 47 LEU QB 1 48 ILE H 2.500 . 6.000 2.858 2.780 2.972 . 0 0 "[ . 1 . 2]" 1
340 1 47 LEU QD 1 96 TYR QE 2.500 . 6.500 5.598 5.250 5.965 . 0 0 "[ . 1 . 2]" 1
341 1 47 LEU QD 1 96 TYR QB 2.500 . 6.500 4.082 3.295 4.653 . 0 0 "[ . 1 . 2]" 1
342 1 47 LEU QD 1 97 SER H 2.500 . 6.500 4.462 3.669 5.176 . 0 0 "[ . 1 . 2]" 1
343 1 47 LEU HA 1 98 ARG QG 2.500 . 6.000 4.136 3.499 5.517 . 0 0 "[ . 1 . 2]" 1
344 1 47 LEU QD 1 98 ARG QD 2.500 . 5.500 3.020 1.893 3.644 . 0 0 "[ . 1 . 2]" 1
345 1 47 LEU QD 1 98 ARG H 2.500 . 6.500 4.663 4.277 5.173 . 0 0 "[ . 1 . 2]" 1
346 1 47 LEU HA 1 98 ARG HA 2.500 . 5.000 3.294 3.111 3.516 . 0 0 "[ . 1 . 2]" 1
347 1 47 LEU QD 1 98 ARG HA 2.500 . 6.500 2.748 2.279 3.260 . 0 0 "[ . 1 . 2]" 1
348 1 48 ILE H 1 48 ILE QG 2.500 . 6.000 2.043 1.977 2.076 . 0 0 "[ . 1 . 2]" 1
349 1 48 ILE HA 1 48 ILE HB 2.500 . 5.000 2.497 2.459 2.541 . 0 0 "[ . 1 . 2]" 1
350 1 48 ILE HA 1 48 ILE MG 2.500 . 5.500 2.330 2.211 2.419 . 0 0 "[ . 1 . 2]" 1
351 1 48 ILE H 1 48 ILE MG 2.500 . 6.500 2.821 2.707 2.959 . 0 0 "[ . 1 . 2]" 1
352 1 48 ILE H 1 48 ILE HA 2.500 . 6.000 3.005 2.994 3.015 . 0 0 "[ . 1 . 2]" 1
353 1 48 ILE H 1 48 ILE MD 2.500 . 6.500 3.783 3.727 3.814 . 0 0 "[ . 1 . 2]" 1
354 1 48 ILE HA 1 48 ILE MD 2.500 . 6.500 4.129 4.121 4.137 . 0 0 "[ . 1 . 2]" 1
355 1 48 ILE MD 1 49 GLY H 2.500 . 6.500 4.700 4.616 4.845 . 0 0 "[ . 1 . 2]" 1
356 1 48 ILE MD 1 81 LEU QD 2.500 . 7.000 3.770 3.382 4.420 . 0 0 "[ . 1 . 2]" 1
357 1 48 ILE QG 1 97 SER H 2.500 . 6.000 2.722 2.406 3.013 . 0 0 "[ . 1 . 2]" 1
358 1 48 ILE MD 1 97 SER H 2.500 . 6.500 4.250 3.863 4.554 . 0 0 "[ . 1 . 2]" 1
359 1 48 ILE H 1 98 ARG HA 2.500 . 5.000 3.639 3.496 3.774 . 0 0 "[ . 1 . 2]" 1
360 1 48 ILE MD 1 99 LEU HG 2.500 . 6.500 2.648 2.320 3.027 . 0 0 "[ . 1 . 2]" 1
361 1 48 ILE MG 1 107 TRP HZ2 2.500 . 6.500 5.265 4.634 5.743 . 0 0 "[ . 1 . 2]" 1
362 1 48 ILE MD 1 107 TRP HH2 2.500 . 6.500 3.294 2.955 3.593 . 0 0 "[ . 1 . 2]" 1
363 1 48 ILE MD 1 107 TRP HZ2 2.500 . 5.500 4.379 3.952 4.601 . 0 0 "[ . 1 . 2]" 1
364 1 48 ILE MD 1 109 PHE QE 2.500 . 6.500 2.863 2.417 3.291 . 0 0 "[ . 1 . 2]" 1
365 1 48 ILE QG 1 109 PHE HZ 2.500 . 6.000 4.034 3.754 4.497 . 0 0 "[ . 1 . 2]" 1
366 1 48 ILE MD 1 109 PHE HZ 2.500 . 5.500 2.276 2.182 2.645 . 0 0 "[ . 1 . 2]" 1
367 1 48 ILE HB 1 109 PHE HZ 2.500 . 6.000 3.150 2.761 3.457 . 0 0 "[ . 1 . 2]" 1
368 1 48 ILE HA 1 109 PHE HZ 2.500 . 6.000 5.593 5.155 5.879 . 0 0 "[ . 1 . 2]" 1
369 1 48 ILE QG 1 123 PHE HZ 2.500 . 6.000 5.595 5.221 5.980 . 0 0 "[ . 1 . 2]" 1
370 1 48 ILE HB 1 123 PHE HZ 2.500 . 6.000 3.902 3.617 4.298 . 0 0 "[ . 1 . 2]" 1
371 1 48 ILE HB 1 125 VAL QG 2.500 . 6.500 3.219 3.045 3.443 . 0 0 "[ . 1 . 2]" 1
372 1 48 ILE MD 1 125 VAL QG 2.500 . 4.300 3.149 2.960 3.445 . 0 0 "[ . 1 . 2]" 1
373 1 49 GLY QA 1 96 TYR HA 2.500 . 6.000 2.262 2.171 2.338 . 0 0 "[ . 1 . 2]" 1
374 1 49 GLY QA 1 96 TYR QD 2.500 . 6.000 2.785 2.556 3.176 . 0 0 "[ . 1 . 2]" 1
375 1 49 GLY H 1 109 PHE HZ 2.500 . 6.000 5.373 4.980 5.914 . 0 0 "[ . 1 . 2]" 1
376 1 50 PHE H 1 50 PHE QD 2.500 . 6.000 3.087 2.724 3.228 . 0 0 "[ . 1 . 2]" 1
377 1 50 PHE QB 1 50 PHE QD 2.500 . 6.000 2.148 2.147 2.148 . 0 0 "[ . 1 . 2]" 1
378 1 50 PHE HA 1 50 PHE QD 2.500 . 6.000 3.701 3.693 3.708 . 0 0 "[ . 1 . 2]" 1
379 1 50 PHE QD 1 51 LYS H 2.500 . 6.000 2.839 2.692 2.993 . 0 0 "[ . 1 . 2]" 1
380 1 50 PHE QE 1 58 VAL MG2 2.500 . 6.500 4.885 4.631 5.113 . 0 0 "[ . 1 . 2]" 1
381 1 50 PHE QE 1 58 VAL MG1 2.500 . 6.500 3.875 3.600 4.156 . 0 0 "[ . 1 . 2]" 1
382 1 50 PHE HZ 1 58 VAL MG2 2.500 . 6.500 4.949 4.680 5.163 . 0 0 "[ . 1 . 2]" 1
383 1 50 PHE HZ 1 58 VAL MG1 2.500 . 6.500 4.999 4.674 5.284 . 0 0 "[ . 1 . 2]" 1
384 1 50 PHE HZ 1 63 CYS QB 2.500 . 6.000 4.968 4.717 5.262 . 0 0 "[ . 1 . 2]" 1
385 1 50 PHE QE 1 95 PHE QD 2.500 . 6.000 2.851 2.687 3.023 . 0 0 "[ . 1 . 2]" 1
386 1 50 PHE QE 1 95 PHE QB 2.500 . 6.000 2.567 2.321 2.782 . 0 0 "[ . 1 . 2]" 1
387 1 50 PHE HZ 1 95 PHE QB 2.500 . 6.000 3.465 3.204 3.672 . 0 0 "[ . 1 . 2]" 1
388 1 50 PHE QD 1 109 PHE HZ 2.500 . 6.000 5.508 4.936 5.774 . 0 0 "[ . 1 . 2]" 1
389 1 50 PHE HZ 1 111 CYS QB 2.500 . 6.000 2.742 2.600 2.891 . 0 0 "[ . 1 . 2]" 1
390 1 50 PHE QE 1 111 CYS QB 2.500 . 6.000 3.035 2.939 3.136 . 0 0 "[ . 1 . 2]" 1
391 1 50 PHE HZ 1 112 VAL QG 2.500 . 6.500 6.577 6.529 6.643 0.143 2 0 "[ . 1 . 2]" 1
392 1 50 PHE QE 1 112 VAL QG 2.500 . 6.500 6.033 5.968 6.107 . 0 0 "[ . 1 . 2]" 1
393 1 50 PHE QD 1 123 PHE QD 2.500 . 6.000 3.253 3.034 3.764 . 0 0 "[ . 1 . 2]" 1
394 1 50 PHE QD 1 123 PHE HZ 2.500 . 6.000 3.815 3.406 3.997 . 0 0 "[ . 1 . 2]" 1
395 1 50 PHE QD 1 123 PHE QE 2.500 . 6.000 2.664 2.437 3.419 . 0 0 "[ . 1 . 2]" 1
396 1 50 PHE QE 1 123 PHE HZ 2.500 . 6.000 5.823 5.472 6.016 0.016 20 0 "[ . 1 . 2]" 1
397 1 50 PHE QE 1 123 PHE QD 2.500 . 6.000 3.717 3.459 4.221 . 0 0 "[ . 1 . 2]" 1
398 1 50 PHE QB 1 123 PHE QD 2.500 . 6.000 3.123 2.746 3.290 . 0 0 "[ . 1 . 2]" 1
399 1 51 LYS H 1 51 LYS HA 2.500 . 6.000 2.970 2.958 2.978 . 0 0 "[ . 1 . 2]" 1
400 1 51 LYS QB 1 94 THR MG 2.500 . 6.500 4.238 4.110 4.346 . 0 0 "[ . 1 . 2]" 1
401 1 51 LYS QD 1 94 THR MG 2.500 . 6.500 4.071 3.622 4.814 . 0 0 "[ . 1 . 2]" 1
402 1 51 LYS HA 1 94 THR HA 2.500 . 6.000 2.308 2.266 2.396 . 0 0 "[ . 1 . 2]" 1
403 1 51 LYS QB 1 94 THR HA 2.500 . 6.000 3.333 3.163 3.469 . 0 0 "[ . 1 . 2]" 1
404 1 51 LYS HA 1 95 PHE H 2.500 . 6.000 3.813 3.570 3.919 . 0 0 "[ . 1 . 2]" 1
405 1 52 CYS H 1 52 CYS QB 2.500 . 6.000 2.525 2.479 2.624 . 0 0 "[ . 1 . 2]" 1
406 1 52 CYS H 1 52 CYS HB2 2.500 . 6.000 2.566 2.518 2.674 . 0 0 "[ . 1 . 2]" 1
407 1 52 CYS HA 1 53 PRO QG 2.500 . 6.000 4.016 4.004 4.030 . 0 0 "[ . 1 . 2]" 1
408 1 52 CYS HA 1 53 PRO QD 2.500 . 5.000 2.112 2.099 2.128 . 0 0 "[ . 1 . 2]" 1
409 1 52 CYS QB 1 53 PRO QD 2.500 . 6.000 2.216 2.184 2.252 . 0 0 "[ . 1 . 2]" 1
410 1 52 CYS HB2 1 53 PRO QD 2.500 . 6.000 3.646 3.571 3.684 . 0 0 "[ . 1 . 2]" 1
411 1 52 CYS QB 1 58 VAL MG1 2.500 . 6.500 2.584 2.363 2.799 . 0 0 "[ . 1 . 2]" 1
412 1 52 CYS HB2 1 58 VAL MG1 2.500 . 6.500 2.647 2.402 2.870 . 0 0 "[ . 1 . 2]" 1
413 1 52 CYS HB2 1 93 ASN QD 2.500 . 5.000 3.800 3.615 3.964 . 0 0 "[ . 1 . 2]" 1
414 1 52 CYS QB 1 93 ASN QD 2.500 . 6.000 3.582 3.400 3.703 . 0 0 "[ . 1 . 2]" 1
415 1 52 CYS HB2 1 113 CYS QB 2.500 . 6.000 3.526 3.434 3.681 . 0 0 "[ . 1 . 2]" 1
416 1 52 CYS QB 1 113 CYS QB 2.500 . 6.000 2.560 2.472 2.641 . 0 0 "[ . 1 . 2]" 1
417 1 52 CYS HA 1 121 LEU QD 2.500 . 6.500 4.153 3.949 4.285 . 0 0 "[ . 1 . 2]" 1
418 1 52 CYS HB2 1 121 LEU QD 2.500 . 6.500 5.192 5.042 5.385 . 0 0 "[ . 1 . 2]" 1
419 1 53 PRO QB 1 56 TYR QE 2.500 . 6.000 3.606 3.474 3.783 . 0 0 "[ . 1 . 2]" 1
420 1 53 PRO QB 1 56 TYR QD 2.500 . 6.000 2.349 2.259 2.517 . 0 0 "[ . 1 . 2]" 1
421 1 53 PRO QD 1 56 TYR QD 2.500 . 6.000 4.131 4.071 4.177 . 0 0 "[ . 1 . 2]" 1
422 1 53 PRO QG 1 56 TYR QD 2.500 . 6.000 2.313 2.239 2.372 . 0 0 "[ . 1 . 2]" 1
423 1 53 PRO QG 1 56 TYR QE 2.500 . 6.000 3.305 3.263 3.336 . 0 0 "[ . 1 . 2]" 1
424 1 53 PRO QD 1 56 TYR QB 2.500 . 6.000 3.292 3.191 3.445 . 0 0 "[ . 1 . 2]" 1
425 1 53 PRO QD 1 121 LEU QD 2.500 . 6.500 2.920 2.750 3.070 . 0 0 "[ . 1 . 2]" 1
426 1 53 PRO QG 1 121 LEU QD 2.500 . 6.500 3.144 2.976 3.354 . 0 0 "[ . 1 . 2]" 1
427 1 54 SER H 1 54 SER QB 2.500 . 5.000 2.348 2.257 2.620 . 0 0 "[ . 1 . 2]" 1
428 1 54 SER QB 1 55 ASN H 2.500 . 5.000 3.226 3.124 3.769 . 0 0 "[ . 1 . 2]" 1
429 1 54 SER HA 1 93 ASN QD 2.500 . 5.000 2.110 1.985 2.232 . 0 0 "[ . 1 . 2]" 1
430 1 54 SER HA 1 93 ASN QB 2.500 . 6.000 3.706 3.528 3.809 . 0 0 "[ . 1 . 2]" 1
431 1 55 ASN H 1 56 TYR QD 2.500 . 6.000 3.163 3.115 3.223 . 0 0 "[ . 1 . 2]" 1
432 1 55 ASN H 1 56 TYR QE 2.500 . 6.000 4.946 4.884 5.044 . 0 0 "[ . 1 . 2]" 1
433 1 55 ASN QD 1 115 LYS QE 2.500 . 6.000 6.036 5.804 6.181 0.181 5 0 "[ . 1 . 2]" 1
434 1 56 TYR QB 1 56 TYR QD 2.500 . 5.000 2.156 2.154 2.158 . 0 0 "[ . 1 . 2]" 1
435 1 56 TYR H 1 56 TYR QD 2.500 . 6.000 2.639 2.581 2.686 . 0 0 "[ . 1 . 2]" 1
436 1 56 TYR HA 1 56 TYR QD 2.500 . 6.000 3.013 2.997 3.024 . 0 0 "[ . 1 . 2]" 1
437 1 56 TYR H 1 56 TYR QE 2.500 . 6.000 4.958 4.914 4.994 . 0 0 "[ . 1 . 2]" 1
438 1 56 TYR QD 1 113 CYS HA 2.500 . 6.000 5.119 4.885 5.272 . 0 0 "[ . 1 . 2]" 1
439 1 56 TYR QB 1 113 CYS HA 2.500 . 6.000 4.305 4.157 4.435 . 0 0 "[ . 1 . 2]" 1
440 1 56 TYR QD 1 113 CYS QB 2.500 . 6.000 3.654 3.359 3.813 . 0 0 "[ . 1 . 2]" 1
441 1 56 TYR QB 1 113 CYS QB 2.500 . 6.000 2.757 2.463 2.940 . 0 0 "[ . 1 . 2]" 1
442 1 56 TYR QE 1 113 CYS QB 2.500 . 6.000 5.286 5.026 5.458 . 0 0 "[ . 1 . 2]" 1
443 1 56 TYR QD 1 114 SER HA 2.500 . 6.000 2.278 2.247 2.299 . 0 0 "[ . 1 . 2]" 1
444 1 56 TYR QE 1 114 SER HA 2.500 . 6.000 3.494 3.196 3.574 . 0 0 "[ . 1 . 2]" 1
445 1 56 TYR QE 1 114 SER H 2.500 . 6.000 5.907 5.559 6.005 0.005 6 0 "[ . 1 . 2]" 1
446 1 56 TYR HA 1 115 LYS QG 2.500 . 6.000 2.239 2.104 2.374 . 0 0 "[ . 1 . 2]" 1
447 1 56 TYR QD 1 115 LYS QG 2.500 . 6.000 3.232 2.485 3.892 . 0 0 "[ . 1 . 2]" 1
448 1 56 TYR QE 1 115 LYS QG 2.500 . 6.000 4.488 3.414 5.131 . 0 0 "[ . 1 . 2]" 1
449 1 56 TYR QD 1 115 LYS QD 2.500 . 6.000 4.296 2.766 4.545 . 0 0 "[ . 1 . 2]" 1
450 1 56 TYR HA 1 115 LYS QD 2.500 . 6.000 2.308 2.194 2.506 . 0 0 "[ . 1 . 2]" 1
451 1 56 TYR QE 1 115 LYS QB 2.500 . 6.000 4.159 3.597 4.516 . 0 0 "[ . 1 . 2]" 1
452 1 56 TYR HA 1 115 LYS QB 2.500 . 6.000 3.883 3.630 4.112 . 0 0 "[ . 1 . 2]" 1
453 1 56 TYR QD 1 121 LEU QD 2.500 . 6.500 3.393 3.090 3.664 . 0 0 "[ . 1 . 2]" 1
454 1 56 TYR QE 1 121 LEU QD 2.500 . 6.500 3.446 3.010 3.747 . 0 0 "[ . 1 . 2]" 1
455 1 56 TYR HA 1 121 LEU QD 2.500 . 6.500 5.779 5.573 6.054 . 0 0 "[ . 1 . 2]" 1
456 1 56 TYR QE 1 121 LEU H 2.500 . 6.000 5.348 4.860 5.646 . 0 0 "[ . 1 . 2]" 1
457 1 57 SER H 1 57 SER QB 2.500 . 5.000 2.386 2.255 2.608 . 0 0 "[ . 1 . 2]" 1
458 1 57 SER QB 1 58 VAL H 2.500 . 5.000 3.521 2.900 3.773 . 0 0 "[ . 1 . 2]" 1
459 1 57 SER HA 1 58 VAL MG1 2.500 . 6.500 3.390 3.266 3.519 . 0 0 "[ . 1 . 2]" 1
460 1 57 SER H 1 115 LYS QD 2.500 . 6.000 3.375 3.053 4.167 . 0 0 "[ . 1 . 2]" 1
461 1 58 VAL HA 1 58 VAL MG1 2.500 . 5.500 2.473 2.416 2.529 . 0 0 "[ . 1 . 2]" 1
462 1 58 VAL H 1 58 VAL MG1 2.500 . 5.500 2.096 1.994 2.214 . 0 0 "[ . 1 . 2]" 1
463 1 58 VAL H 1 58 VAL HA 2.500 . 6.000 2.958 2.947 2.982 . 0 0 "[ . 1 . 2]" 1
464 1 58 VAL H 1 58 VAL MG2 2.500 . 6.500 2.198 2.138 2.266 . 0 0 "[ . 1 . 2]" 1
465 1 58 VAL H 1 58 VAL HB 2.500 . 5.000 3.693 3.677 3.730 . 0 0 "[ . 1 . 2]" 1
466 1 58 VAL HA 1 59 GLU H 2.500 . 2.900 2.153 2.146 2.159 . 0 0 "[ . 1 . 2]" 1
467 1 58 VAL MG2 1 59 GLU H 2.500 . 5.500 3.837 3.741 3.934 . 0 0 "[ . 1 . 2]" 1
468 1 58 VAL MG2 1 63 CYS QB 2.500 . 6.500 6.604 6.526 6.660 0.160 13 0 "[ . 1 . 2]" 1
469 1 58 VAL MG2 1 90 HIS HE1 2.500 . 6.500 4.150 3.208 5.633 . 0 0 "[ . 1 . 2]" 1
470 1 58 VAL MG1 1 93 ASN QB 2.500 . 6.500 2.235 2.087 2.436 . 0 0 "[ . 1 . 2]" 1
471 1 58 VAL MG2 1 95 PHE QD 2.500 . 6.500 4.854 4.415 5.062 . 0 0 "[ . 1 . 2]" 1
472 1 58 VAL MG1 1 95 PHE QE 2.500 . 5.500 2.702 2.341 2.912 . 0 0 "[ . 1 . 2]" 1
473 1 58 VAL MG2 1 95 PHE QE 2.500 . 6.500 3.020 2.469 3.265 . 0 0 "[ . 1 . 2]" 1
474 1 58 VAL MG2 1 95 PHE HZ 2.500 . 6.500 2.348 2.172 2.534 . 0 0 "[ . 1 . 2]" 1
475 1 58 VAL HB 1 95 PHE HZ 2.500 . 6.000 3.657 3.076 4.046 . 0 0 "[ . 1 . 2]" 1
476 1 58 VAL MG1 1 95 PHE HZ 2.500 . 6.500 3.626 3.188 3.975 . 0 0 "[ . 1 . 2]" 1
477 1 58 VAL HB 1 95 PHE QE 2.500 . 6.000 2.887 2.610 3.232 . 0 0 "[ . 1 . 2]" 1
478 1 58 VAL MG2 1 111 CYS QB 2.500 . 6.500 5.600 5.512 5.711 . 0 0 "[ . 1 . 2]" 1
479 1 58 VAL MG2 1 112 VAL H 2.500 . 6.500 6.175 6.118 6.277 . 0 0 "[ . 1 . 2]" 1
480 1 58 VAL HA 1 113 CYS HA 2.500 . 6.000 2.393 2.281 2.542 . 0 0 "[ . 1 . 2]" 1
481 1 58 VAL MG2 1 113 CYS HA 2.500 . 6.500 5.128 5.039 5.274 . 0 0 "[ . 1 . 2]" 1
482 1 58 VAL MG1 1 113 CYS HA 2.500 . 6.500 4.034 3.874 4.150 . 0 0 "[ . 1 . 2]" 1
483 1 58 VAL MG1 1 113 CYS QB 2.500 . 6.500 3.702 3.536 3.909 . 0 0 "[ . 1 . 2]" 1
484 1 59 GLU H 1 59 GLU QG 2.500 . 6.000 3.480 3.265 3.966 . 0 0 "[ . 1 . 2]" 1
485 1 59 GLU H 1 59 GLU QB 2.500 . 6.000 2.486 2.429 2.540 . 0 0 "[ . 1 . 2]" 1
486 1 59 GLU QB 1 68 PHE QE 2.500 . 6.000 4.457 4.135 4.572 . 0 0 "[ . 1 . 2]" 1
487 1 59 GLU QB 1 68 PHE HZ 2.500 . 6.000 5.754 5.295 5.873 . 0 0 "[ . 1 . 2]" 1
488 1 59 GLU QG 1 68 PHE HZ 2.500 . 6.000 6.113 6.063 6.239 0.239 13 0 "[ . 1 . 2]" 1
489 1 59 GLU H 1 112 VAL QG 2.500 . 6.500 3.855 3.692 4.025 . 0 0 "[ . 1 . 2]" 1
490 1 59 GLU H 1 112 VAL HB 2.500 . 6.000 4.357 4.193 4.471 . 0 0 "[ . 1 . 2]" 1
491 1 59 GLU H 1 113 CYS HA 2.500 . 5.000 2.619 2.469 2.804 . 0 0 "[ . 1 . 2]" 1
492 1 60 PRO QB 1 60 PRO QD 2.500 . 6.000 2.824 2.819 2.832 . 0 0 "[ . 1 . 2]" 1
493 1 60 PRO QB 1 61 HIS HA 2.500 . 6.000 4.512 4.496 4.552 . 0 0 "[ . 1 . 2]" 1
494 1 60 PRO QB 1 61 HIS H 2.500 . 5.000 3.581 3.568 3.618 . 0 0 "[ . 1 . 2]" 1
495 1 60 PRO QG 1 66 SER QB 2.500 . 6.000 4.247 3.803 4.526 . 0 0 "[ . 1 . 2]" 1
496 1 60 PRO QD 1 68 PHE QE 2.500 . 6.000 3.562 3.422 3.771 . 0 0 "[ . 1 . 2]" 1
497 1 60 PRO QB 1 68 PHE HZ 2.500 . 6.000 6.132 6.074 6.271 0.271 1 0 "[ . 1 . 2]" 1
498 1 60 PRO QD 1 95 PHE QE 2.500 . 6.000 5.770 5.537 6.005 0.005 7 0 "[ . 1 . 2]" 1
499 1 60 PRO QB 1 95 PHE QE 2.500 . 6.000 5.715 5.405 5.946 . 0 0 "[ . 1 . 2]" 1
500 1 60 PRO QD 1 111 CYS HA 2.500 . 6.000 6.033 5.959 6.107 0.107 7 0 "[ . 1 . 2]" 1
501 1 61 HIS QB 1 61 HIS HD2 2.500 . 6.000 2.855 2.682 3.323 . 0 0 "[ . 1 . 2]" 1
502 1 61 HIS H 1 61 HIS HA 2.500 . 6.000 2.964 2.955 2.968 . 0 0 "[ . 1 . 2]" 1
503 1 61 HIS HA 1 63 CYS H 2.500 . 6.000 4.852 4.788 4.999 . 0 0 "[ . 1 . 2]" 1
504 1 62 ASP HA 1 62 ASP HB2 2.500 . 6.000 2.492 2.475 2.512 . 0 0 "[ . 1 . 2]" 1
505 1 62 ASP HA 1 62 ASP QB 2.500 . 6.000 2.384 2.371 2.398 . 0 0 "[ . 1 . 2]" 1
506 1 62 ASP HA 1 109 PHE HA 2.500 . 6.000 5.459 5.320 5.588 . 0 0 "[ . 1 . 2]" 1
507 1 63 CYS H 1 63 CYS QB 2.500 . 6.000 2.433 2.405 2.466 . 0 0 "[ . 1 . 2]" 1
508 1 63 CYS H 1 63 CYS HA 2.500 . 6.000 2.857 2.829 2.907 . 0 0 "[ . 1 . 2]" 1
509 1 63 CYS HA 1 64 PHE H 2.500 . 3.500 2.946 2.901 2.986 . 0 0 "[ . 1 . 2]" 1
510 1 63 CYS HA 1 65 VAL H 2.500 . 6.000 5.371 5.214 5.439 . 0 0 "[ . 1 . 2]" 1
511 1 63 CYS QB 1 68 PHE QD 2.500 . 6.000 6.112 6.039 6.171 0.171 19 0 "[ . 1 . 2]" 1
512 1 64 PHE QB 1 64 PHE QD 2.500 . 6.000 2.148 2.147 2.150 . 0 0 "[ . 1 . 2]" 1
513 1 64 PHE H 1 64 PHE QB 2.500 . 6.000 3.027 2.997 3.052 . 0 0 "[ . 1 . 2]" 1
514 1 64 PHE QE 1 83 LEU QD 2.500 . 5.500 3.574 3.209 3.861 . 0 0 "[ . 1 . 2]" 1
515 1 64 PHE QE 1 86 ILE HA 2.500 . 6.000 4.213 3.923 4.472 . 0 0 "[ . 1 . 2]" 1
516 1 64 PHE QE 1 86 ILE MG 2.500 . 6.500 2.088 2.013 2.264 . 0 0 "[ . 1 . 2]" 1
517 1 64 PHE HZ 1 86 ILE MD 2.500 . 6.500 5.518 5.355 5.942 . 0 0 "[ . 1 . 2]" 1
518 1 64 PHE QE 1 86 ILE MD 2.500 . 6.500 3.385 3.180 3.808 . 0 0 "[ . 1 . 2]" 1
519 1 64 PHE QE 1 95 PHE QB 2.500 . 6.000 3.087 2.814 3.262 . 0 0 "[ . 1 . 2]" 1
520 1 64 PHE QE 1 96 TYR HA 2.500 . 6.000 5.356 5.106 5.614 . 0 0 "[ . 1 . 2]" 1
521 1 64 PHE QE 1 97 SER QB 2.500 . 6.000 3.401 2.977 4.112 . 0 0 "[ . 1 . 2]" 1
522 1 65 VAL H 1 65 VAL HB 2.500 . 6.000 2.508 2.435 2.866 . 0 0 "[ . 1 . 2]" 1
523 1 65 VAL HA 1 65 VAL MG1 2.500 . 3.800 2.429 2.249 2.484 . 0 0 "[ . 1 . 2]" 1
524 1 65 VAL H 1 65 VAL MG1 2.500 . 6.500 3.790 3.758 3.808 . 0 0 "[ . 1 . 2]" 1
525 1 65 VAL HA 1 65 VAL MG2 2.500 . 3.800 2.259 2.201 2.455 . 0 0 "[ . 1 . 2]" 1
526 1 65 VAL HB 1 66 SER H 2.500 . 6.000 2.172 1.849 2.463 . 0 0 "[ . 1 . 2]" 1
527 1 65 VAL H 1 66 SER QB 2.500 . 6.000 5.354 5.091 5.454 . 0 0 "[ . 1 . 2]" 1
528 1 65 VAL MG1 1 66 SER H 2.500 . 6.500 2.562 2.206 3.171 . 0 0 "[ . 1 . 2]" 1
529 1 65 VAL MG2 1 66 SER H 2.500 . 6.500 3.751 3.402 3.886 . 0 0 "[ . 1 . 2]" 1
530 1 65 VAL MG2 1 76 ASN QD 2.500 . 5.500 5.374 4.662 5.582 0.082 13 0 "[ . 1 . 2]" 1
531 1 65 VAL MG2 1 78 GLU QB 2.500 . 6.500 4.948 4.470 5.309 . 0 0 "[ . 1 . 2]" 1
532 1 65 VAL HA 1 78 GLU H 2.500 . 6.000 4.550 4.085 4.902 . 0 0 "[ . 1 . 2]" 1
533 1 65 VAL HA 1 78 GLU QB 2.500 . 6.000 4.199 3.781 4.574 . 0 0 "[ . 1 . 2]" 1
534 1 65 VAL MG2 1 78 GLU QG 2.500 . 6.500 6.030 5.065 6.515 0.015 7 0 "[ . 1 . 2]" 1
535 1 65 VAL HA 1 86 ILE MD 2.500 . 6.500 3.934 3.613 4.176 . 0 0 "[ . 1 . 2]" 1
536 1 65 VAL MG1 1 88 MET ME 2.500 . 3.800 2.872 2.707 3.050 . 0 0 "[ . 1 . 2]" 1
537 1 65 VAL H 1 88 MET ME 2.500 . 6.500 4.529 4.223 4.781 . 0 0 "[ . 1 . 2]" 1
538 1 66 SER H 1 66 SER QB 2.500 . 5.000 2.700 2.632 2.833 . 0 0 "[ . 1 . 2]" 1
539 1 66 SER H 1 67 ALA HA 2.500 . 6.000 5.012 4.938 5.067 . 0 0 "[ . 1 . 2]" 1
540 1 66 SER QB 1 74 ASN QD 2.500 . 6.000 4.278 3.996 4.591 . 0 0 "[ . 1 . 2]" 1
541 1 66 SER QB 1 76 ASN HA 2.500 . 6.000 4.041 3.702 4.420 . 0 0 "[ . 1 . 2]" 1
542 1 66 SER HA 1 76 ASN HA 2.500 . 6.000 2.519 2.261 2.784 . 0 0 "[ . 1 . 2]" 1
543 1 66 SER HA 1 88 MET ME 2.500 . 6.500 6.552 6.510 6.611 0.111 2 0 "[ . 1 . 2]" 1
544 1 67 ALA H 1 67 ALA MB 2.500 . 6.500 2.857 2.825 2.876 . 0 0 "[ . 1 . 2]" 1
545 1 67 ALA MB 1 77 LEU QD 2.500 . 7.000 4.256 4.017 4.548 . 0 0 "[ . 1 . 2]" 1
546 1 67 ALA MB 1 109 PHE QD 2.500 . 5.500 5.149 5.018 5.254 . 0 0 "[ . 1 . 2]" 1
547 1 67 ALA MB 1 109 PHE QE 2.500 . 6.500 6.504 6.372 6.573 0.073 16 0 "[ . 1 . 2]" 1
548 1 67 ALA MB 1 109 PHE QB 2.500 . 6.500 4.773 4.645 4.868 . 0 0 "[ . 1 . 2]" 1
549 1 68 PHE HA 1 68 PHE QD 2.500 . 6.000 3.198 3.184 3.220 . 0 0 "[ . 1 . 2]" 1
550 1 68 PHE QB 1 68 PHE QD 2.500 . 6.000 2.155 2.152 2.158 . 0 0 "[ . 1 . 2]" 1
551 1 68 PHE QD 1 69 ASN H 2.500 . 6.000 4.681 4.535 4.771 . 0 0 "[ . 1 . 2]" 1
552 1 68 PHE HA 1 69 ASN H 2.500 . 5.000 2.237 2.213 2.298 . 0 0 "[ . 1 . 2]" 1
553 1 68 PHE QD 1 74 ASN HA 2.500 . 6.000 3.841 3.451 4.121 . 0 0 "[ . 1 . 2]" 1
554 1 68 PHE QE 1 74 ASN QB 2.500 . 6.000 3.598 3.361 3.864 . 0 0 "[ . 1 . 2]" 1
555 1 69 ASN QB 1 69 ASN QD 2.500 . 6.000 2.273 2.180 2.293 . 0 0 "[ . 1 . 2]" 1
556 1 69 ASN HA 1 70 LEU H 2.500 . 5.000 2.687 2.646 2.736 . 0 0 "[ . 1 . 2]" 1
557 1 69 ASN QD 1 73 LYS QB 2.500 . 4.000 3.605 2.636 4.036 0.036 2 0 "[ . 1 . 2]" 1
558 1 69 ASN H 1 74 ASN HA 2.500 . 6.000 3.733 3.512 3.998 . 0 0 "[ . 1 . 2]" 1
559 1 70 LEU H 1 70 LEU QD 2.500 . 6.500 2.574 1.812 3.141 . 0 0 "[ . 1 . 2]" 1
560 1 70 LEU HA 1 70 LEU QD 2.500 . 5.500 2.277 1.937 2.608 . 0 0 "[ . 1 . 2]" 1
561 1 70 LEU H 1 70 LEU QB 2.500 . 5.000 2.369 2.264 2.582 . 0 0 "[ . 1 . 2]" 1
562 1 70 LEU HA 1 70 LEU QB 2.500 . 5.000 2.421 2.333 2.464 . 0 0 "[ . 1 . 2]" 1
563 1 70 LEU H 1 70 LEU HA 2.500 . 5.000 2.865 2.855 2.880 . 0 0 "[ . 1 . 2]" 1
564 1 70 LEU QB 1 71 SER H 2.500 . 6.000 3.017 2.917 3.141 . 0 0 "[ . 1 . 2]" 1
565 1 70 LEU QD 1 108 LYS QB 2.500 . 4.000 3.730 3.084 4.160 0.160 7 0 "[ . 1 . 2]" 1
566 1 70 LEU QD 1 108 LYS QG 2.500 . 4.000 3.234 2.327 4.138 0.138 1 0 "[ . 1 . 2]" 1
567 1 70 LEU QD 1 110 PHE QD 2.500 . 6.500 3.630 3.449 3.955 . 0 0 "[ . 1 . 2]" 1
568 1 70 LEU QD 1 110 PHE QE 2.500 . 6.500 2.090 1.906 2.189 . 0 0 "[ . 1 . 2]" 1
569 1 70 LEU QD 1 110 PHE HZ 2.500 . 4.000 2.808 2.278 3.590 . 0 0 "[ . 1 . 2]" 1
570 1 70 LEU QB 1 110 PHE QE 2.500 . 6.000 4.552 4.329 4.940 . 0 0 "[ . 1 . 2]" 1
571 1 71 SER QB 1 73 LYS QG 2.500 . 6.000 2.651 2.220 3.743 . 0 0 "[ . 1 . 2]" 1
572 1 72 GLY H 1 72 GLY QA 2.500 . 6.000 2.272 2.265 2.279 . 0 0 "[ . 1 . 2]" 1
573 1 72 GLY QA 1 110 PHE HZ 2.500 . 6.000 5.671 5.415 5.847 . 0 0 "[ . 1 . 2]" 1
574 1 72 GLY QA 1 110 PHE QE 2.500 . 6.000 6.044 5.795 6.144 0.144 10 0 "[ . 1 . 2]" 1
575 1 73 LYS H 1 73 LYS HA 2.500 . 6.000 2.985 2.970 2.994 . 0 0 "[ . 1 . 2]" 1
576 1 73 LYS H 1 73 LYS QB 2.500 . 6.000 2.469 2.329 2.563 . 0 0 "[ . 1 . 2]" 1
577 1 73 LYS QG 1 74 ASN H 2.500 . 6.000 4.318 3.742 4.651 . 0 0 "[ . 1 . 2]" 1
578 1 74 ASN QB 1 74 ASN QD 2.500 . 6.000 2.258 2.195 2.317 . 0 0 "[ . 1 . 2]" 1
579 1 74 ASN H 1 74 ASN QB 2.500 . 6.000 2.294 2.238 2.325 . 0 0 "[ . 1 . 2]" 1
580 1 74 ASN QB 1 75 GLU H 2.500 . 6.000 3.845 3.628 3.949 . 0 0 "[ . 1 . 2]" 1
581 1 75 GLU H 1 75 GLU QG 2.500 . 6.000 3.731 3.124 4.337 . 0 0 "[ . 1 . 2]" 1
582 1 75 GLU H 1 75 GLU QB 2.500 . 6.000 2.743 2.704 2.797 . 0 0 "[ . 1 . 2]" 1
583 1 76 ASN H 1 76 ASN QB 2.500 . 5.000 2.316 2.134 2.450 . 0 0 "[ . 1 . 2]" 1
584 1 76 ASN QB 1 76 ASN QD 2.500 . 5.000 2.247 2.183 2.317 . 0 0 "[ . 1 . 2]" 1
585 1 77 LEU HA 1 77 LEU QD 2.500 . 6.500 2.122 2.060 2.184 . 0 0 "[ . 1 . 2]" 1
586 1 77 LEU H 1 77 LEU QB 2.500 . 6.000 2.366 2.311 2.393 . 0 0 "[ . 1 . 2]" 1
587 1 77 LEU H 1 77 LEU HA 2.500 . 6.000 2.971 2.951 2.987 . 0 0 "[ . 1 . 2]" 1
588 1 77 LEU HG 1 78 GLU H 2.500 . 6.000 4.672 4.530 4.733 . 0 0 "[ . 1 . 2]" 1
589 1 77 LEU QB 1 78 GLU H 2.500 . 6.000 3.388 3.082 3.503 . 0 0 "[ . 1 . 2]" 1
590 1 77 LEU QD 1 80 LYS QG 2.500 . 6.500 2.859 2.290 3.554 . 0 0 "[ . 1 . 2]" 1
591 1 77 LEU HA 1 80 LYS QG 2.500 . 6.000 4.598 3.951 5.193 . 0 0 "[ . 1 . 2]" 1
592 1 77 LEU HA 1 80 LYS QB 2.500 . 5.000 2.816 2.339 3.171 . 0 0 "[ . 1 . 2]" 1
593 1 77 LEU QD 1 80 LYS QB 2.500 . 6.500 2.317 2.078 3.048 . 0 0 "[ . 1 . 2]" 1
594 1 77 LEU QD 1 81 LEU H 2.500 . 6.500 3.854 3.601 4.185 . 0 0 "[ . 1 . 2]" 1
595 1 77 LEU HA 1 81 LEU H 2.500 . 6.000 4.210 3.814 4.501 . 0 0 "[ . 1 . 2]" 1
596 1 77 LEU QD 1 83 LEU QD 2.500 . 6.000 2.918 2.316 3.301 . 0 0 "[ . 1 . 2]" 1
597 1 77 LEU QD 1 107 TRP QB 2.500 . 6.500 4.000 3.810 4.353 . 0 0 "[ . 1 . 2]" 1
598 1 77 LEU QD 1 109 PHE QD 2.500 . 6.500 3.478 3.273 3.662 . 0 0 "[ . 1 . 2]" 1
599 1 77 LEU QD 1 109 PHE QE 2.500 . 6.500 4.432 4.166 4.654 . 0 0 "[ . 1 . 2]" 1
600 1 77 LEU QD 1 109 PHE HZ 2.500 . 6.500 5.448 5.079 5.751 . 0 0 "[ . 1 . 2]" 1
601 1 78 GLU H 1 78 GLU HA 2.500 . 6.000 2.881 2.840 2.915 . 0 0 "[ . 1 . 2]" 1
602 1 78 GLU HA 1 80 LYS H 2.500 . 6.000 3.970 3.513 4.333 . 0 0 "[ . 1 . 2]" 1
603 1 78 GLU QB 1 83 LEU QD 2.500 . 6.500 4.540 2.200 5.385 . 0 0 "[ . 1 . 2]" 1
604 1 78 GLU HA 1 83 LEU QD 2.500 . 6.500 4.054 2.433 4.821 . 0 0 "[ . 1 . 2]" 1
605 1 78 GLU HA 1 83 LEU QB 2.500 . 6.000 4.483 3.874 5.353 . 0 0 "[ . 1 . 2]" 1
606 1 78 GLU HA 1 83 LEU H 2.500 . 6.000 3.445 3.133 3.751 . 0 0 "[ . 1 . 2]" 1
607 1 78 GLU QG 1 83 LEU QD 2.500 . 6.500 5.811 3.871 6.444 . 0 0 "[ . 1 . 2]" 1
608 1 79 ASN H 1 79 ASN HA 2.500 . 6.000 2.863 2.843 2.878 . 0 0 "[ . 1 . 2]" 1
609 1 79 ASN QB 1 80 LYS QB 2.500 . 6.000 4.323 3.893 4.712 . 0 0 "[ . 1 . 2]" 1
610 1 80 LYS H 1 80 LYS QB 2.500 . 5.000 2.282 2.252 2.321 . 0 0 "[ . 1 . 2]" 1
611 1 80 LYS QB 1 81 LEU H 2.500 . 6.000 2.442 2.286 2.732 . 0 0 "[ . 1 . 2]" 1
612 1 80 LYS QB 1 81 LEU HA 2.500 . 6.000 4.589 4.497 4.675 . 0 0 "[ . 1 . 2]" 1
613 1 80 LYS QG 1 107 TRP HD1 2.500 . 6.000 5.535 5.204 5.817 . 0 0 "[ . 1 . 2]" 1
614 1 80 LYS QG 1 107 TRP HH2 2.500 . 6.000 6.108 6.023 6.273 0.273 4 0 "[ . 1 . 2]" 1
615 1 81 LEU HA 1 81 LEU QB 2.500 . 6.000 2.405 2.385 2.453 . 0 0 "[ . 1 . 2]" 1
616 1 81 LEU HA 1 81 LEU QD 2.500 . 5.500 2.082 2.036 2.131 . 0 0 "[ . 1 . 2]" 1
617 1 81 LEU HA 1 82 LYS H 2.500 . 3.500 2.214 2.206 2.233 . 0 0 "[ . 1 . 2]" 1
618 1 81 LEU QD 1 83 LEU HG 2.500 . 6.500 3.027 2.420 3.979 . 0 0 "[ . 1 . 2]" 1
619 1 81 LEU QD 1 83 LEU QD 2.500 . 6.000 2.019 1.831 2.340 . 0 0 "[ . 1 . 2]" 1
620 1 81 LEU QB 1 83 LEU QD 2.500 . 6.500 3.038 2.876 3.287 . 0 0 "[ . 1 . 2]" 1
621 1 81 LEU QD 1 99 LEU QD 2.500 . 7.000 2.086 1.919 2.594 . 0 0 "[ . 1 . 2]" 1
622 1 81 LEU QD 1 100 PRO QD 2.500 . 6.500 2.093 2.015 2.252 . 0 0 "[ . 1 . 2]" 1
623 1 81 LEU QD 1 100 PRO QG 2.500 . 6.500 2.019 1.949 2.130 . 0 0 "[ . 1 . 2]" 1
624 1 81 LEU QD 1 103 ILE MG 2.500 . 6.000 3.326 2.873 3.753 . 0 0 "[ . 1 . 2]" 1
625 1 81 LEU QD 1 103 ILE MD 2.500 . 7.000 2.694 2.154 3.217 . 0 0 "[ . 1 . 2]" 1
626 1 81 LEU HA 1 103 ILE MG 2.500 . 6.500 6.425 5.957 6.566 0.066 15 0 "[ . 1 . 2]" 1
627 1 81 LEU QD 1 107 TRP HZ2 2.500 . 6.500 2.308 2.135 2.560 . 0 0 "[ . 1 . 2]" 1
628 1 81 LEU QD 1 107 TRP HD1 2.500 . 6.500 4.756 4.297 5.203 . 0 0 "[ . 1 . 2]" 1
629 1 81 LEU QD 1 107 TRP HH2 2.500 . 6.500 2.460 2.063 3.043 . 0 0 "[ . 1 . 2]" 1
630 1 81 LEU QD 1 107 TRP HE1 2.500 . 5.500 3.470 2.983 3.781 . 0 0 "[ . 1 . 2]" 1
631 1 81 LEU QB 1 107 TRP HH2 2.500 . 6.000 4.094 3.807 4.327 . 0 0 "[ . 1 . 2]" 1
632 1 81 LEU QD 1 107 TRP HE3 2.500 . 6.500 4.469 3.956 4.759 . 0 0 "[ . 1 . 2]" 1
633 1 81 LEU QD 1 127 ALA MB 2.500 . 7.000 4.128 3.677 4.522 . 0 0 "[ . 1 . 2]" 1
634 1 82 LYS H 1 82 LYS QB 2.500 . 5.000 2.410 2.242 2.984 . 0 0 "[ . 1 . 2]" 1
635 1 82 LYS H 1 82 LYS QD 2.500 . 6.000 3.945 3.342 4.680 . 0 0 "[ . 1 . 2]" 1
636 1 82 LYS H 1 82 LYS HA 2.500 . 3.500 2.924 2.907 2.947 . 0 0 "[ . 1 . 2]" 1
637 1 82 LYS HA 1 82 LYS QB 2.500 . 3.300 2.381 2.171 2.500 . 0 0 "[ . 1 . 2]" 1
638 1 82 LYS QB 1 83 LEU H 2.500 . 6.000 3.854 3.561 4.054 . 0 0 "[ . 1 . 2]" 1
639 1 82 LYS QB 1 100 PRO QB 2.500 . 6.000 4.751 4.048 5.901 . 0 0 "[ . 1 . 2]" 1
640 1 83 LEU H 1 83 LEU HG 2.500 . 6.000 2.404 2.161 2.640 . 0 0 "[ . 1 . 2]" 1
641 1 83 LEU H 1 83 LEU QD 2.500 . 6.500 3.185 3.001 3.331 . 0 0 "[ . 1 . 2]" 1
642 1 83 LEU HA 1 83 LEU QD 2.500 . 3.800 2.102 2.059 2.180 . 0 0 "[ . 1 . 2]" 1
643 1 83 LEU QB 1 83 LEU QD 2.500 . 5.500 1.896 1.877 1.914 . 0 0 "[ . 1 . 2]" 1
644 1 83 LEU H 1 83 LEU QB 2.500 . 6.000 2.388 2.320 2.461 . 0 0 "[ . 1 . 2]" 1
645 1 83 LEU H 1 83 LEU HA 2.500 . 6.000 2.918 2.878 2.984 . 0 0 "[ . 1 . 2]" 1
646 1 83 LEU QD 1 97 SER QB 2.500 . 6.500 2.450 2.074 3.048 . 0 0 "[ . 1 . 2]" 1
647 1 83 LEU QB 1 97 SER QB 2.500 . 6.000 3.193 2.248 4.503 . 0 0 "[ . 1 . 2]" 1
648 1 83 LEU QD 1 98 ARG H 2.500 . 6.500 3.451 2.950 4.166 . 0 0 "[ . 1 . 2]" 1
649 1 83 LEU QD 1 99 LEU HA 2.500 . 6.500 2.831 2.371 4.530 . 0 0 "[ . 1 . 2]" 1
650 1 83 LEU QD 1 99 LEU HG 2.500 . 6.500 3.998 3.676 5.402 . 0 0 "[ . 1 . 2]" 1
651 1 83 LEU QD 1 100 PRO QD 2.500 . 5.500 2.637 2.198 4.267 . 0 0 "[ . 1 . 2]" 1
652 1 83 LEU HA 1 100 PRO QD 2.500 . 6.000 3.286 2.665 4.405 . 0 0 "[ . 1 . 2]" 1
653 1 84 THR HA 1 86 ILE QG 2.500 . 6.000 3.334 3.254 3.439 . 0 0 "[ . 1 . 2]" 1
654 1 84 THR H 1 86 ILE MD 2.500 . 6.500 4.679 4.253 4.936 . 0 0 "[ . 1 . 2]" 1
655 1 84 THR MG 1 98 ARG H 2.500 . 6.500 5.398 4.903 5.898 . 0 0 "[ . 1 . 2]" 1
656 1 84 THR MG 1 100 PRO QB 2.500 . 6.500 5.234 4.654 6.000 . 0 0 "[ . 1 . 2]" 1
657 1 85 ASN HA 1 85 ASN QD 2.500 . 6.000 3.969 3.652 4.043 . 0 0 "[ . 1 . 2]" 1
658 1 85 ASN H 1 85 ASN HA 2.500 . 5.000 2.348 2.334 2.357 . 0 0 "[ . 1 . 2]" 1
659 1 85 ASN HA 1 85 ASN QB 2.500 . 6.000 2.415 2.390 2.451 . 0 0 "[ . 1 . 2]" 1
660 1 85 ASN QB 1 86 ILE QG 2.500 . 6.000 4.597 4.568 4.629 . 0 0 "[ . 1 . 2]" 1
661 1 85 ASN QD 1 87 ILE MD 2.500 . 6.500 5.873 5.138 6.538 0.038 12 0 "[ . 1 . 2]" 1
662 1 85 ASN QB 1 98 ARG QB 2.500 . 6.000 2.909 2.272 3.690 . 0 0 "[ . 1 . 2]" 1
663 1 86 ILE HA 1 86 ILE QG 2.500 . 6.000 2.382 2.373 2.402 . 0 0 "[ . 1 . 2]" 1
664 1 86 ILE H 1 86 ILE QG 2.500 . 6.000 2.298 2.208 2.341 . 0 0 "[ . 1 . 2]" 1
665 1 86 ILE H 1 86 ILE HA 2.500 . 6.000 2.917 2.910 2.925 . 0 0 "[ . 1 . 2]" 1
666 1 86 ILE H 1 86 ILE HB 2.500 . 5.000 2.421 2.405 2.457 . 0 0 "[ . 1 . 2]" 1
667 1 86 ILE H 1 86 ILE MD 2.500 . 6.500 3.478 3.439 3.535 . 0 0 "[ . 1 . 2]" 1
668 1 86 ILE QG 1 87 ILE H 2.500 . 6.000 4.088 4.054 4.131 . 0 0 "[ . 1 . 2]" 1
669 1 86 ILE HA 1 87 ILE HB 2.500 . 6.000 4.644 4.608 4.867 . 0 0 "[ . 1 . 2]" 1
670 1 86 ILE HB 1 87 ILE H 2.500 . 6.000 4.226 4.170 4.289 . 0 0 "[ . 1 . 2]" 1
671 1 86 ILE MG 1 88 MET QG 2.500 . 6.500 2.198 2.093 2.350 . 0 0 "[ . 1 . 2]" 1
672 1 86 ILE QG 1 88 MET ME 2.500 . 6.500 6.271 5.882 6.502 0.002 6 0 "[ . 1 . 2]" 1
673 1 86 ILE MD 1 88 MET ME 2.500 . 7.000 5.332 4.828 5.645 . 0 0 "[ . 1 . 2]" 1
674 1 86 ILE MG 1 96 TYR QB 2.500 . 6.500 5.255 4.957 5.518 . 0 0 "[ . 1 . 2]" 1
675 1 86 ILE QG 1 97 SER HA 2.500 . 6.000 3.670 3.395 4.086 . 0 0 "[ . 1 . 2]" 1
676 1 86 ILE QG 1 97 SER QB 2.500 . 6.000 3.260 2.529 3.748 . 0 0 "[ . 1 . 2]" 1
677 1 86 ILE MD 1 97 SER QB 2.500 . 6.500 4.487 3.919 4.836 . 0 0 "[ . 1 . 2]" 1
678 1 86 ILE HA 1 97 SER QB 2.500 . 6.000 3.697 2.960 4.317 . 0 0 "[ . 1 . 2]" 1
679 1 86 ILE MG 1 97 SER QB 2.500 . 6.500 3.735 3.256 4.334 . 0 0 "[ . 1 . 2]" 1
680 1 86 ILE HA 1 98 ARG H 2.500 . 6.000 4.271 4.007 4.521 . 0 0 "[ . 1 . 2]" 1
681 1 87 ILE H 1 87 ILE QG 2.500 . 6.000 2.737 2.308 2.855 . 0 0 "[ . 1 . 2]" 1
682 1 87 ILE H 1 87 ILE HB 2.500 . 6.000 2.645 2.615 2.791 . 0 0 "[ . 1 . 2]" 1
683 1 87 ILE H 1 87 ILE HA 2.500 . 6.000 3.003 2.997 3.007 . 0 0 "[ . 1 . 2]" 1
684 1 87 ILE H 1 87 ILE MD 2.500 . 6.500 3.575 3.225 4.037 . 0 0 "[ . 1 . 2]" 1
685 1 87 ILE HA 1 88 MET ME 2.500 . 6.500 6.380 6.204 6.504 0.004 16 0 "[ . 1 . 2]" 1
686 1 87 ILE MG 1 88 MET QG 2.500 . 6.500 4.471 4.412 4.547 . 0 0 "[ . 1 . 2]" 1
687 1 87 ILE MG 1 89 ASP QB 2.500 . 6.500 3.522 3.046 4.217 . 0 0 "[ . 1 . 2]" 1
688 1 87 ILE MG 1 96 TYR QD 2.500 . 5.500 2.673 2.536 3.030 . 0 0 "[ . 1 . 2]" 1
689 1 87 ILE HB 1 96 TYR QD 2.500 . 5.000 2.506 2.290 2.787 . 0 0 "[ . 1 . 2]" 1
690 1 87 ILE QG 1 96 TYR QD 2.500 . 6.000 3.770 3.453 4.028 . 0 0 "[ . 1 . 2]" 1
691 1 87 ILE QG 1 96 TYR QB 2.500 . 6.000 2.939 2.685 3.174 . 0 0 "[ . 1 . 2]" 1
692 1 87 ILE MD 1 96 TYR QB 2.500 . 6.500 4.429 4.218 4.633 . 0 0 "[ . 1 . 2]" 1
693 1 87 ILE HB 1 96 TYR QB 2.500 . 6.000 2.281 2.247 2.427 . 0 0 "[ . 1 . 2]" 1
694 1 87 ILE MG 1 96 TYR QB 2.500 . 6.500 3.558 3.430 3.716 . 0 0 "[ . 1 . 2]" 1
695 1 87 ILE HB 1 96 TYR QE 2.500 . 6.000 4.773 4.515 5.053 . 0 0 "[ . 1 . 2]" 1
696 1 87 ILE MG 1 96 TYR QE 2.500 . 6.500 3.796 3.583 4.042 . 0 0 "[ . 1 . 2]" 1
697 1 87 ILE MD 1 96 TYR QE 2.500 . 6.500 6.246 5.910 6.510 0.010 2 0 "[ . 1 . 2]" 1
698 1 87 ILE MD 1 96 TYR QD 2.500 . 6.500 4.849 4.570 5.063 . 0 0 "[ . 1 . 2]" 1
699 1 87 ILE H 1 97 SER HA 2.500 . 6.000 3.699 3.598 3.805 . 0 0 "[ . 1 . 2]" 1
700 1 88 MET H 1 88 MET QG 2.500 . 6.000 2.710 2.446 2.881 . 0 0 "[ . 1 . 2]" 1
701 1 88 MET HA 1 88 MET QG 2.500 . 6.000 2.426 2.373 2.551 . 0 0 "[ . 1 . 2]" 1
702 1 88 MET HA 1 88 MET ME 2.500 . 6.500 3.774 3.611 3.879 . 0 0 "[ . 1 . 2]" 1
703 1 88 MET H 1 88 MET ME 2.500 . 6.500 5.057 4.964 5.166 . 0 0 "[ . 1 . 2]" 1
704 1 88 MET H 1 88 MET QB 2.500 . 5.000 2.632 2.577 2.762 . 0 0 "[ . 1 . 2]" 1
705 1 64 PHE QD 1 88 MET HA 2.500 . 6.000 2.592 2.279 3.027 . 0 0 "[ . 1 . 2]" 1
706 1 64 PHE HA 1 88 MET HA 2.500 . 6.000 3.001 2.863 3.098 . 0 0 "[ . 1 . 2]" 1
707 1 64 PHE QE 1 88 MET QG 2.500 . 6.000 3.133 2.984 3.324 . 0 0 "[ . 1 . 2]" 1
708 1 64 PHE QD 1 88 MET QG 2.500 . 6.000 2.259 2.237 2.465 . 0 0 "[ . 1 . 2]" 1
709 1 64 PHE QE 1 88 MET QB 2.500 . 6.000 2.596 2.281 3.211 . 0 0 "[ . 1 . 2]" 1
710 1 64 PHE QE 1 88 MET ME 2.500 . 6.500 2.330 2.121 2.554 . 0 0 "[ . 1 . 2]" 1
711 1 64 PHE QD 1 88 MET ME 2.500 . 6.500 2.729 2.398 3.009 . 0 0 "[ . 1 . 2]" 1
712 1 89 ASP H 1 89 ASP QB 2.500 . 6.000 2.453 2.419 2.525 . 0 0 "[ . 1 . 2]" 1
713 1 89 ASP HA 1 89 ASP QB 2.500 . 6.000 2.417 2.375 2.428 . 0 0 "[ . 1 . 2]" 1
714 1 89 ASP QB 1 94 THR HB 2.500 . 6.000 4.474 4.423 4.511 . 0 0 "[ . 1 . 2]" 1
715 1 89 ASP QB 1 94 THR MG 2.500 . 6.500 1.982 1.962 2.013 . 0 0 "[ . 1 . 2]" 1
716 1 89 ASP H 1 95 PHE QD 2.500 . 6.000 3.979 3.648 4.251 . 0 0 "[ . 1 . 2]" 1
717 1 90 HIS HA 1 90 HIS QB 2.500 . 6.000 2.403 2.380 2.416 . 0 0 "[ . 1 . 2]" 1
718 1 90 HIS QB 1 90 HIS HD2 2.500 . 6.000 2.773 2.695 3.325 . 0 0 "[ . 1 . 2]" 1
719 1 90 HIS H 1 90 HIS HA 2.500 . 6.000 2.895 2.885 2.910 . 0 0 "[ . 1 . 2]" 1
720 1 90 HIS H 1 90 HIS HD2 2.500 . 6.000 3.516 2.801 5.016 . 0 0 "[ . 1 . 2]" 1
721 1 90 HIS HA 1 95 PHE QE 2.500 . 6.000 4.189 3.866 4.352 . 0 0 "[ . 1 . 2]" 1
722 1 90 HIS HA 1 95 PHE HZ 2.500 . 6.000 3.548 3.132 3.789 . 0 0 "[ . 1 . 2]" 1
723 1 90 HIS HD2 1 95 PHE HZ 2.500 . 6.000 4.835 2.499 5.925 . 0 0 "[ . 1 . 2]" 1
724 1 91 TYR HA 1 91 TYR QD 2.500 . 6.000 2.606 2.528 2.659 . 0 0 "[ . 1 . 2]" 1
725 1 91 TYR H 1 91 TYR QD 2.500 . 6.000 4.211 4.204 4.214 . 0 0 "[ . 1 . 2]" 1
726 1 91 TYR H 1 91 TYR QB 2.500 . 6.000 2.288 2.281 2.292 . 0 0 "[ . 1 . 2]" 1
727 1 91 TYR QB 1 91 TYR QD 2.500 . 6.000 2.151 2.150 2.154 . 0 0 "[ . 1 . 2]" 1
728 1 91 TYR QD 1 92 ASN QD 2.500 . 6.000 3.255 2.776 3.409 . 0 0 "[ . 1 . 2]" 1
729 1 91 TYR HA 1 92 ASN H 2.500 . 6.000 3.576 3.572 3.578 . 0 0 "[ . 1 . 2]" 1
730 1 91 TYR QB 1 92 ASN H 2.500 . 6.000 2.487 2.459 2.509 . 0 0 "[ . 1 . 2]" 1
731 1 92 ASN H 1 92 ASN HA 2.500 . 6.000 2.953 2.946 2.957 . 0 0 "[ . 1 . 2]" 1
732 1 92 ASN QB 1 92 ASN QD 2.500 . 6.000 2.279 2.213 2.290 . 0 0 "[ . 1 . 2]" 1
733 1 92 ASN QB 1 94 THR HB 2.500 . 6.000 3.408 3.332 3.458 . 0 0 "[ . 1 . 2]" 1
734 1 93 ASN H 1 93 ASN QB 2.500 . 6.000 3.277 3.249 3.387 . 0 0 "[ . 1 . 2]" 1
735 1 93 ASN HA 1 95 PHE QE 2.500 . 6.000 3.320 3.138 3.501 . 0 0 "[ . 1 . 2]" 1
736 1 94 THR H 1 94 THR HB 2.500 . 6.000 3.306 3.266 3.346 . 0 0 "[ . 1 . 2]" 1
737 1 94 THR HA 1 94 THR MG 2.500 . 6.500 3.189 3.184 3.195 . 0 0 "[ . 1 . 2]" 1
738 1 94 THR HA 1 94 THR HB 2.500 . 6.000 2.421 2.403 2.440 . 0 0 "[ . 1 . 2]" 1
739 1 94 THR H 1 94 THR HA 2.500 . 6.000 2.986 2.983 2.989 . 0 0 "[ . 1 . 2]" 1
740 1 94 THR HB 1 95 PHE H 2.500 . 6.000 4.098 4.048 4.148 . 0 0 "[ . 1 . 2]" 1
741 1 94 THR HA 1 95 PHE QD 2.500 . 6.000 3.131 2.874 3.372 . 0 0 "[ . 1 . 2]" 1
742 1 94 THR MG 1 95 PHE QD 2.500 . 6.500 4.844 4.719 4.935 . 0 0 "[ . 1 . 2]" 1
743 1 94 THR MG 1 95 PHE H 2.500 . 6.500 3.956 3.904 4.003 . 0 0 "[ . 1 . 2]" 1
744 1 94 THR HA 1 95 PHE H 2.500 . 5.000 2.231 2.213 2.260 . 0 0 "[ . 1 . 2]" 1
745 1 94 THR HB 1 96 TYR QE 2.500 . 6.000 3.857 3.766 3.993 . 0 0 "[ . 1 . 2]" 1
746 1 94 THR MG 1 96 TYR QD 2.500 . 5.500 3.628 3.471 3.748 . 0 0 "[ . 1 . 2]" 1
747 1 94 THR MG 1 96 TYR QE 2.500 . 5.500 2.208 2.128 2.377 . 0 0 "[ . 1 . 2]" 1
748 1 95 PHE HA 1 95 PHE QD 2.500 . 6.000 2.991 2.863 3.128 . 0 0 "[ . 1 . 2]" 1
749 1 95 PHE QB 1 95 PHE QD 2.500 . 6.000 2.149 2.147 2.152 . 0 0 "[ . 1 . 2]" 1
750 1 95 PHE H 1 95 PHE QB 2.500 . 6.000 2.630 2.590 2.678 . 0 0 "[ . 1 . 2]" 1
751 1 95 PHE HA 1 95 PHE QB 2.500 . 6.000 2.361 2.329 2.381 . 0 0 "[ . 1 . 2]" 1
752 1 95 PHE QB 1 96 TYR H 2.500 . 6.000 3.020 3.000 3.058 . 0 0 "[ . 1 . 2]" 1
753 1 95 PHE HA 1 96 TYR H 2.500 . 3.500 2.243 2.239 2.248 . 0 0 "[ . 1 . 2]" 1
754 1 96 TYR QB 1 96 TYR QD 2.500 . 5.000 2.147 2.143 2.148 . 0 0 "[ . 1 . 2]" 1
755 1 96 TYR H 1 96 TYR QD 2.500 . 6.000 2.877 2.762 3.033 . 0 0 "[ . 1 . 2]" 1
756 1 96 TYR HA 1 96 TYR QD 2.500 . 6.000 2.884 2.782 2.954 . 0 0 "[ . 1 . 2]" 1
757 1 96 TYR HA 1 96 TYR QB 2.500 . 6.000 2.347 2.333 2.357 . 0 0 "[ . 1 . 2]" 1
758 1 96 TYR H 1 96 TYR QB 2.500 . 6.000 2.733 2.712 2.762 . 0 0 "[ . 1 . 2]" 1
759 1 96 TYR H 1 96 TYR HA 2.500 . 5.000 2.990 2.986 2.994 . 0 0 "[ . 1 . 2]" 1
760 1 96 TYR H 1 96 TYR QE 2.500 . 6.000 4.804 4.714 4.880 . 0 0 "[ . 1 . 2]" 1
761 1 96 TYR QD 1 97 SER H 2.500 . 6.000 4.113 4.044 4.195 . 0 0 "[ . 1 . 2]" 1
762 1 98 ARG HA 1 98 ARG QG 2.500 . 6.000 2.383 2.180 3.141 . 0 0 "[ . 1 . 2]" 1
763 1 98 ARG HA 1 98 ARG QD 2.500 . 6.000 3.497 2.108 4.203 . 0 0 "[ . 1 . 2]" 1
764 1 98 ARG HA 1 98 ARG QB 2.500 . 6.000 2.412 2.297 2.476 . 0 0 "[ . 1 . 2]" 1
765 1 98 ARG HA 1 99 LEU QB 2.500 . 6.000 4.403 4.320 4.512 . 0 0 "[ . 1 . 2]" 1
766 1 99 LEU H 1 99 LEU HG 2.500 . 6.000 2.593 2.381 2.795 . 0 0 "[ . 1 . 2]" 1
767 1 99 LEU HA 1 99 LEU QD 2.500 . 3.800 2.045 2.011 2.124 . 0 0 "[ . 1 . 2]" 1
768 1 99 LEU H 1 99 LEU QD 2.500 . 6.500 3.269 3.049 3.396 . 0 0 "[ . 1 . 2]" 1
769 1 99 LEU H 1 99 LEU QB 2.500 . 6.000 2.389 2.285 2.532 . 0 0 "[ . 1 . 2]" 1
770 1 99 LEU QB 1 99 LEU HG 2.500 . 5.000 2.363 2.324 2.395 . 0 0 "[ . 1 . 2]" 1
771 1 99 LEU HA 1 100 PRO QD 2.500 . 5.000 2.049 2.017 2.067 . 0 0 "[ . 1 . 2]" 1
772 1 99 LEU QD 1 100 PRO QD 2.500 . 6.500 2.506 2.257 2.778 . 0 0 "[ . 1 . 2]" 1
773 1 99 LEU QB 1 100 PRO QD 2.500 . 6.000 2.670 2.517 2.806 . 0 0 "[ . 1 . 2]" 1
774 1 99 LEU HG 1 103 ILE MD 2.500 . 6.500 4.212 4.067 4.412 . 0 0 "[ . 1 . 2]" 1
775 1 99 LEU QB 1 103 ILE MD 2.500 . 6.500 2.010 1.939 2.140 . 0 0 "[ . 1 . 2]" 1
776 1 99 LEU QD 1 107 TRP HD1 2.500 . 6.500 6.078 5.904 6.328 . 0 0 "[ . 1 . 2]" 1
777 1 99 LEU QD 1 107 TRP HZ2 2.500 . 6.500 2.398 2.219 2.638 . 0 0 "[ . 1 . 2]" 1
778 1 99 LEU QD 1 107 TRP HH2 2.500 . 6.500 2.529 2.324 2.727 . 0 0 "[ . 1 . 2]" 1
779 1 100 PRO QD 1 103 ILE MD 2.500 . 6.500 2.455 2.002 3.243 . 0 0 "[ . 1 . 2]" 1
780 1 101 SER H 1 101 SER HA 2.500 . 5.000 2.915 2.849 2.956 . 0 0 "[ . 1 . 2]" 1
781 1 102 LEU HA 1 102 LEU QD 2.500 . 5.500 2.046 2.036 2.062 . 0 0 "[ . 1 . 2]" 1
782 1 102 LEU H 1 102 LEU QB 2.500 . 6.000 2.534 2.394 2.616 . 0 0 "[ . 1 . 2]" 1
783 1 102 LEU H 1 102 LEU HA 2.500 . 6.000 2.993 2.985 3.002 . 0 0 "[ . 1 . 2]" 1
784 1 102 LEU QD 1 104 SER QB 2.500 . 6.500 3.538 3.085 4.157 . 0 0 "[ . 1 . 2]" 1
785 1 103 ILE H 1 103 ILE QG 2.500 . 6.000 3.124 2.765 3.304 . 0 0 "[ . 1 . 2]" 1
786 1 103 ILE H 1 103 ILE HB 2.500 . 6.000 2.875 2.802 3.069 . 0 0 "[ . 1 . 2]" 1
787 1 103 ILE H 1 103 ILE HA 2.500 . 6.000 2.955 2.943 2.967 . 0 0 "[ . 1 . 2]" 1
788 1 103 ILE H 1 103 ILE MD 2.500 . 6.500 4.299 4.199 4.434 . 0 0 "[ . 1 . 2]" 1
789 1 103 ILE QG 1 104 SER H 2.500 . 6.000 4.313 4.156 4.526 . 0 0 "[ . 1 . 2]" 1
790 1 103 ILE HA 1 104 SER H 2.500 . 5.000 2.231 2.208 2.246 . 0 0 "[ . 1 . 2]" 1
791 1 103 ILE MD 1 104 SER H 2.500 . 6.500 5.372 5.166 5.486 . 0 0 "[ . 1 . 2]" 1
792 1 103 ILE MD 1 107 TRP HZ2 2.500 . 6.500 2.834 2.433 3.319 . 0 0 "[ . 1 . 2]" 1
793 1 103 ILE MG 1 107 TRP HZ2 2.500 . 6.500 3.385 3.274 3.639 . 0 0 "[ . 1 . 2]" 1
794 1 103 ILE HB 1 107 TRP HZ2 2.500 . 6.000 5.701 5.459 6.027 0.027 6 0 "[ . 1 . 2]" 1
795 1 103 ILE MG 1 107 TRP HD1 2.500 . 6.500 3.259 3.104 3.415 . 0 0 "[ . 1 . 2]" 1
796 1 103 ILE HB 1 107 TRP HE1 2.500 . 5.000 4.506 4.344 4.718 . 0 0 "[ . 1 . 2]" 1
797 1 103 ILE MG 1 107 TRP HE1 2.500 . 5.500 1.881 1.768 2.152 0.032 20 0 "[ . 1 . 2]" 1
798 1 103 ILE MG 1 107 TRP HZ3 2.500 . 6.500 6.619 6.568 6.685 0.185 13 0 "[ . 1 . 2]" 1
799 1 103 ILE MD 1 107 TRP HE1 2.500 . 5.500 3.109 2.678 3.540 . 0 0 "[ . 1 . 2]" 1
800 1 103 ILE MG 1 127 ALA HA 2.500 . 6.500 4.139 3.777 4.900 . 0 0 "[ . 1 . 2]" 1
801 1 103 ILE MD 1 127 ALA HA 2.500 . 6.500 5.023 4.396 5.486 . 0 0 "[ . 1 . 2]" 1
802 1 104 SER HA 1 105 ASP H 2.500 . 5.000 3.183 2.686 3.361 . 0 0 "[ . 1 . 2]" 1
803 1 105 ASP H 1 105 ASP QB 2.500 . 6.000 2.463 2.246 3.064 . 0 0 "[ . 1 . 2]" 1
804 1 105 ASP QB 1 106 ASN H 2.500 . 5.000 2.921 2.638 3.501 . 0 0 "[ . 1 . 2]" 1
805 1 105 ASP QB 1 107 TRP HD1 2.500 . 6.000 2.169 2.001 2.989 . 0 0 "[ . 1 . 2]" 1
806 1 105 ASP QB 1 107 TRP HE1 2.500 . 5.000 3.750 3.307 5.028 0.028 10 0 "[ . 1 . 2]" 1
807 1 105 ASP HA 1 127 ALA MB 2.500 . 6.500 6.542 6.473 6.587 0.087 6 0 "[ . 1 . 2]" 1
808 1 106 ASN H 1 106 ASN QB 2.500 . 6.000 2.388 2.339 2.432 . 0 0 "[ . 1 . 2]" 1
809 1 106 ASN QB 1 106 ASN QD 2.500 . 6.000 2.267 2.209 2.284 . 0 0 "[ . 1 . 2]" 1
810 1 106 ASN H 1 107 TRP HD1 2.500 . 6.000 3.967 3.795 4.193 . 0 0 "[ . 1 . 2]" 1
811 1 107 TRP QB 1 107 TRP HE3 2.500 . 6.000 2.469 2.451 2.486 . 0 0 "[ . 1 . 2]" 1
812 1 107 TRP QB 1 107 TRP HD1 2.500 . 6.000 2.757 2.719 2.814 . 0 0 "[ . 1 . 2]" 1
813 1 107 TRP H 1 107 TRP QB 2.500 . 6.000 2.510 2.449 2.571 . 0 0 "[ . 1 . 2]" 1
814 1 107 TRP H 1 107 TRP HD1 2.500 . 6.000 1.732 1.677 1.768 0.123 4 0 "[ . 1 . 2]" 1
815 1 107 TRP HA 1 107 TRP HD1 2.500 . 6.000 4.129 4.096 4.149 . 0 0 "[ . 1 . 2]" 1
816 1 107 TRP H 1 107 TRP HA 2.500 . 6.000 2.855 2.841 2.865 . 0 0 "[ . 1 . 2]" 1
817 1 107 TRP HA 1 107 TRP HE3 2.500 . 6.000 4.605 4.574 4.656 . 0 0 "[ . 1 . 2]" 1
818 1 107 TRP QB 1 108 LYS H 2.500 . 6.000 2.630 2.488 2.754 . 0 0 "[ . 1 . 2]" 1
819 1 107 TRP HD1 1 108 LYS H 2.500 . 6.000 5.547 5.427 5.653 . 0 0 "[ . 1 . 2]" 1
820 1 107 TRP HE3 1 108 LYS H 2.500 . 6.000 3.640 3.389 3.821 . 0 0 "[ . 1 . 2]" 1
821 1 107 TRP HE3 1 108 LYS HA 2.500 . 6.000 4.065 3.780 4.361 . 0 0 "[ . 1 . 2]" 1
822 1 107 TRP HA 1 108 LYS H 2.500 . 3.500 2.320 2.272 2.374 . 0 0 "[ . 1 . 2]" 1
823 1 107 TRP HZ3 1 108 LYS HA 2.500 . 6.000 5.131 4.823 5.426 . 0 0 "[ . 1 . 2]" 1
824 1 107 TRP QB 1 109 PHE QD 2.500 . 6.000 5.012 4.831 5.340 . 0 0 "[ . 1 . 2]" 1
825 1 107 TRP HE3 1 109 PHE QD 2.500 . 6.000 3.117 2.973 3.402 . 0 0 "[ . 1 . 2]" 1
826 1 107 TRP HZ2 1 109 PHE QE 2.500 . 6.000 4.492 4.007 4.952 . 0 0 "[ . 1 . 2]" 1
827 1 107 TRP HE3 1 109 PHE QE 2.500 . 6.000 5.052 4.769 5.489 . 0 0 "[ . 1 . 2]" 1
828 1 107 TRP HE3 1 109 PHE H 2.500 . 6.000 4.780 4.618 5.061 . 0 0 "[ . 1 . 2]" 1
829 1 107 TRP HH2 1 125 VAL QG 2.500 . 6.500 4.386 4.016 4.650 . 0 0 "[ . 1 . 2]" 1
830 1 107 TRP HZ3 1 125 VAL QG 2.500 . 6.500 4.516 4.313 4.704 . 0 0 "[ . 1 . 2]" 1
831 1 107 TRP HE3 1 125 VAL QG 2.500 . 6.500 5.352 5.222 5.463 . 0 0 "[ . 1 . 2]" 1
832 1 107 TRP HE3 1 126 GLU HA 2.500 . 6.000 5.998 5.787 6.092 0.092 5 0 "[ . 1 . 2]" 1
833 1 107 TRP QB 1 127 ALA MB 2.500 . 6.500 4.884 4.561 5.211 . 0 0 "[ . 1 . 2]" 1
834 1 107 TRP HD1 1 127 ALA MB 2.500 . 6.500 3.730 3.450 4.139 . 0 0 "[ . 1 . 2]" 1
835 1 107 TRP HH2 1 127 ALA MB 2.500 . 6.500 4.373 3.969 4.851 . 0 0 "[ . 1 . 2]" 1
836 1 107 TRP HZ2 1 127 ALA MB 2.500 . 6.500 2.971 2.614 3.414 . 0 0 "[ . 1 . 2]" 1
837 1 107 TRP HE1 1 127 ALA MB 2.500 . 6.500 2.406 1.961 2.915 . 0 0 "[ . 1 . 2]" 1
838 1 107 TRP H 1 127 ALA MB 2.500 . 5.500 4.423 4.081 4.644 . 0 0 "[ . 1 . 2]" 1
839 1 108 LYS H 1 108 LYS QB 2.500 . 6.000 2.874 2.544 3.187 . 0 0 "[ . 1 . 2]" 1
840 1 108 LYS H 1 108 LYS HA 2.500 . 6.000 2.974 2.959 2.991 . 0 0 "[ . 1 . 2]" 1
841 1 108 LYS QB 1 109 PHE H 2.500 . 6.000 3.030 2.591 3.553 . 0 0 "[ . 1 . 2]" 1
842 1 108 LYS HA 1 125 VAL H 2.500 . 6.000 4.838 4.736 4.944 . 0 0 "[ . 1 . 2]" 1
843 1 108 LYS QB 1 126 GLU HA 2.500 . 6.000 2.925 2.569 3.291 . 0 0 "[ . 1 . 2]" 1
844 1 108 LYS HA 1 126 GLU HA 2.500 . 5.000 2.394 2.275 2.518 . 0 0 "[ . 1 . 2]" 1
845 1 109 PHE H 1 109 PHE QD 2.500 . 6.000 2.834 2.737 3.071 . 0 0 "[ . 1 . 2]" 1
846 1 109 PHE HA 1 109 PHE QD 2.500 . 6.000 3.697 3.663 3.708 . 0 0 "[ . 1 . 2]" 1
847 1 109 PHE QB 1 109 PHE QD 2.500 . 5.000 2.147 2.146 2.148 . 0 0 "[ . 1 . 2]" 1
848 1 109 PHE HA 1 109 PHE QB 2.500 . 6.000 2.194 2.191 2.196 . 0 0 "[ . 1 . 2]" 1
849 1 109 PHE QD 1 110 PHE H 2.500 . 6.000 2.982 2.742 3.172 . 0 0 "[ . 1 . 2]" 1
850 1 109 PHE QB 1 110 PHE H 2.500 . 6.000 2.645 2.588 2.715 . 0 0 "[ . 1 . 2]" 1
851 1 109 PHE QE 1 125 VAL QG 2.500 . 5.500 2.038 1.979 2.130 . 0 0 "[ . 1 . 2]" 1
852 1 109 PHE HZ 1 125 VAL QG 2.500 . 6.500 2.268 2.193 2.462 . 0 0 "[ . 1 . 2]" 1
853 1 109 PHE QD 1 125 VAL QG 2.500 . 5.500 2.930 2.881 2.978 . 0 0 "[ . 1 . 2]" 1
854 1 109 PHE QE 1 127 ALA MB 2.500 . 6.500 4.328 3.867 4.801 . 0 0 "[ . 1 . 2]" 1
855 1 110 PHE H 1 110 PHE QD 2.500 . 6.000 2.722 2.584 2.964 . 0 0 "[ . 1 . 2]" 1
856 1 110 PHE H 1 110 PHE QE 2.500 . 6.000 3.971 3.890 4.086 . 0 0 "[ . 1 . 2]" 1
857 1 110 PHE HA 1 110 PHE QD 2.500 . 6.000 3.633 3.605 3.664 . 0 0 "[ . 1 . 2]" 1
858 1 110 PHE HA 1 110 PHE QB 2.500 . 6.000 2.189 2.186 2.195 . 0 0 "[ . 1 . 2]" 1
859 1 110 PHE QD 1 112 VAL QG 2.500 . 3.800 2.646 2.489 2.744 . 0 0 "[ . 1 . 2]" 1
860 1 110 PHE QE 1 112 VAL QG 2.500 . 6.500 3.582 3.247 3.760 . 0 0 "[ . 1 . 2]" 1
861 1 110 PHE QD 1 112 VAL HB 2.500 . 6.000 5.067 4.984 5.135 . 0 0 "[ . 1 . 2]" 1
862 1 110 PHE QD 1 122 VAL MG2 2.500 . 5.500 3.869 3.710 4.138 . 0 0 "[ . 1 . 2]" 1
863 1 110 PHE QE 1 122 VAL MG1 2.500 . 6.500 4.375 3.868 4.520 . 0 0 "[ . 1 . 2]" 1
864 1 110 PHE QB 1 122 VAL MG2 2.500 . 5.500 4.374 4.244 4.716 . 0 0 "[ . 1 . 2]" 1
865 1 110 PHE QE 1 122 VAL MG2 2.500 . 6.500 4.710 4.518 4.831 . 0 0 "[ . 1 . 2]" 1
866 1 110 PHE HZ 1 122 VAL MG2 2.500 . 6.500 6.514 6.362 6.564 0.064 20 0 "[ . 1 . 2]" 1
867 1 110 PHE QB 1 124 THR HB 2.500 . 6.000 2.270 2.212 2.364 . 0 0 "[ . 1 . 2]" 1
868 1 110 PHE QB 1 124 THR MG 2.500 . 6.500 3.659 3.604 3.707 . 0 0 "[ . 1 . 2]" 1
869 1 110 PHE QB 1 124 THR HA 2.500 . 6.000 2.224 2.205 2.240 . 0 0 "[ . 1 . 2]" 1
870 1 110 PHE HA 1 124 THR HA 2.500 . 6.000 2.323 2.263 2.371 . 0 0 "[ . 1 . 2]" 1
871 1 111 CYS HA 1 111 CYS QB 2.500 . 6.000 2.410 2.396 2.425 . 0 0 "[ . 1 . 2]" 1
872 1 111 CYS H 1 111 CYS QB 2.500 . 6.000 2.565 2.521 2.619 . 0 0 "[ . 1 . 2]" 1
873 1 111 CYS QB 1 112 VAL H 2.500 . 6.000 2.664 2.611 2.710 . 0 0 "[ . 1 . 2]" 1
874 1 111 CYS QB 1 112 VAL QG 2.500 . 6.500 4.221 4.158 4.251 . 0 0 "[ . 1 . 2]" 1
875 1 111 CYS HA 1 112 VAL QG 2.500 . 6.500 3.525 3.411 3.549 . 0 0 "[ . 1 . 2]" 1
876 1 111 CYS H 1 122 VAL MG2 2.500 . 6.500 5.615 5.463 5.938 . 0 0 "[ . 1 . 2]" 1
877 1 111 CYS QB 1 123 PHE QB 2.500 . 6.000 2.465 2.289 2.641 . 0 0 "[ . 1 . 2]" 1
878 1 111 CYS QB 1 123 PHE QD 2.500 . 6.000 2.317 2.247 2.583 . 0 0 "[ . 1 . 2]" 1
879 1 112 VAL H 1 112 VAL QG 2.500 . 6.500 2.912 2.866 2.931 . 0 0 "[ . 1 . 2]" 1
880 1 112 VAL HA 1 112 VAL QG 2.500 . 6.500 2.075 2.046 2.089 . 0 0 "[ . 1 . 2]" 1
881 1 112 VAL QG 1 114 SER QB 2.500 . 6.500 2.851 2.698 2.932 . 0 0 "[ . 1 . 2]" 1
882 1 112 VAL QG 1 122 VAL MG2 2.500 . 4.300 1.989 1.934 2.053 . 0 0 "[ . 1 . 2]" 1
883 1 112 VAL QG 1 122 VAL HA 2.500 . 6.500 2.282 2.177 2.501 . 0 0 "[ . 1 . 2]" 1
884 1 112 VAL HA 1 122 VAL MG2 2.500 . 6.500 3.668 3.579 3.753 . 0 0 "[ . 1 . 2]" 1
885 1 112 VAL HA 1 122 VAL HA 2.500 . 5.000 2.533 2.453 2.589 . 0 0 "[ . 1 . 2]" 1
886 1 112 VAL HA 1 122 VAL MG1 2.500 . 6.500 4.080 3.813 4.182 . 0 0 "[ . 1 . 2]" 1
887 1 112 VAL HB 1 122 VAL MG2 2.500 . 6.500 4.550 4.465 4.649 . 0 0 "[ . 1 . 2]" 1
888 1 112 VAL HA 1 123 PHE H 2.500 . 6.000 3.171 3.029 3.287 . 0 0 "[ . 1 . 2]" 1
889 1 113 CYS H 1 113 CYS HA 2.500 . 6.000 2.993 2.989 2.996 . 0 0 "[ . 1 . 2]" 1
890 1 113 CYS H 1 113 CYS QB 2.500 . 6.000 2.551 2.467 2.651 . 0 0 "[ . 1 . 2]" 1
891 1 113 CYS H 1 121 LEU QD 2.500 . 6.500 4.342 4.230 4.498 . 0 0 "[ . 1 . 2]" 1
892 1 113 CYS QB 1 121 LEU QD 2.500 . 5.500 2.749 2.603 2.965 . 0 0 "[ . 1 . 2]" 1
893 1 113 CYS QB 1 121 LEU HG 2.500 . 6.000 3.931 3.745 4.117 . 0 0 "[ . 1 . 2]" 1
894 1 113 CYS QB 1 121 LEU QB 2.500 . 6.000 2.235 2.209 2.259 . 0 0 "[ . 1 . 2]" 1
895 1 114 SER H 1 114 SER QB 2.500 . 6.000 3.291 3.166 3.341 . 0 0 "[ . 1 . 2]" 1
896 1 114 SER H 1 114 SER HA 2.500 . 6.000 2.901 2.890 2.919 . 0 0 "[ . 1 . 2]" 1
897 1 114 SER HA 1 121 LEU H 2.500 . 6.000 3.728 3.392 3.903 . 0 0 "[ . 1 . 2]" 1
898 1 115 LYS HA 1 115 LYS QD 2.500 . 5.000 3.819 3.735 4.163 . 0 0 "[ . 1 . 2]" 1
899 1 115 LYS HA 1 115 LYS QB 2.500 . 5.000 2.438 2.407 2.476 . 0 0 "[ . 1 . 2]" 1
900 1 115 LYS H 1 115 LYS HA 2.500 . 6.000 2.936 2.918 2.978 . 0 0 "[ . 1 . 2]" 1
901 1 115 LYS QD 1 116 ASP QB 2.500 . 6.000 5.512 5.108 6.199 0.199 8 0 "[ . 1 . 2]" 1
902 1 115 LYS QB 1 116 ASP H 2.500 . 6.000 2.433 2.368 2.579 . 0 0 "[ . 1 . 2]" 1
903 1 115 LYS QB 1 118 GLU QB 2.500 . 6.000 2.560 2.238 2.664 . 0 0 "[ . 1 . 2]" 1
904 1 115 LYS H 1 118 GLU QB 2.500 . 6.000 2.553 2.380 2.646 . 0 0 "[ . 1 . 2]" 1
905 1 115 LYS H 1 118 GLU QG 2.500 . 6.000 4.316 3.861 4.520 . 0 0 "[ . 1 . 2]" 1
906 1 115 LYS QB 1 118 GLU QG 2.500 . 6.000 2.731 2.162 3.007 . 0 0 "[ . 1 . 2]" 1
907 1 115 LYS QD 1 118 GLU QG 2.500 . 6.000 4.515 2.725 5.125 . 0 0 "[ . 1 . 2]" 1
908 1 116 ASP H 1 116 ASP HA 2.500 . 5.000 2.845 2.838 2.864 . 0 0 "[ . 1 . 2]" 1
909 1 116 ASP QB 1 117 ASN QD 2.500 . 6.000 5.464 5.247 5.883 . 0 0 "[ . 1 . 2]" 1
910 1 116 ASP QB 1 118 GLU H 2.500 . 6.000 5.216 5.125 5.329 . 0 0 "[ . 1 . 2]" 1
911 1 117 ASN H 1 117 ASN QB 2.500 . 6.000 2.831 2.798 2.900 . 0 0 "[ . 1 . 2]" 1
912 1 118 GLU H 1 118 GLU QB 2.500 . 6.000 2.858 2.795 2.890 . 0 0 "[ . 1 . 2]" 1
913 1 118 GLU H 1 118 GLU QG 2.500 . 6.000 3.551 3.525 3.589 . 0 0 "[ . 1 . 2]" 1
914 1 119 LYS H 1 119 LYS QD 2.500 . 6.000 3.745 3.222 4.314 . 0 0 "[ . 1 . 2]" 1
915 1 119 LYS H 1 119 LYS HA 2.500 . 6.000 2.839 2.811 2.871 . 0 0 "[ . 1 . 2]" 1
916 1 120 LYS H 1 120 LYS HA 2.500 . 6.000 2.947 2.924 2.974 . 0 0 "[ . 1 . 2]" 1
917 1 120 LYS HA 1 121 LEU QD 2.500 . 6.500 3.990 3.696 4.128 . 0 0 "[ . 1 . 2]" 1
918 1 120 LYS QB 1 121 LEU H 2.500 . 6.000 2.950 2.793 3.016 . 0 0 "[ . 1 . 2]" 1
919 1 120 LYS QD 1 122 VAL MG1 2.500 . 6.500 5.588 5.080 6.497 . 0 0 "[ . 1 . 2]" 1
920 1 120 LYS QB 1 122 VAL MG1 2.500 . 6.500 5.914 5.649 6.160 . 0 0 "[ . 1 . 2]" 1
921 1 121 LEU H 1 121 LEU HA 2.500 . 6.000 2.995 2.990 3.000 . 0 0 "[ . 1 . 2]" 1
922 1 121 LEU H 1 121 LEU QD 2.500 . 6.500 3.268 3.080 3.355 . 0 0 "[ . 1 . 2]" 1
923 1 121 LEU H 1 121 LEU HG 2.500 . 6.000 2.549 2.345 2.669 . 0 0 "[ . 1 . 2]" 1
924 1 121 LEU QB 1 121 LEU QD 2.500 . 5.500 1.914 1.898 1.929 . 0 0 "[ . 1 . 2]" 1
925 1 121 LEU HA 1 121 LEU QD 2.500 . 5.500 2.124 2.079 2.156 . 0 0 "[ . 1 . 2]" 1
926 1 121 LEU H 1 121 LEU QB 2.500 . 6.000 2.565 2.511 2.628 . 0 0 "[ . 1 . 2]" 1
927 1 121 LEU HA 1 121 LEU QB 2.500 . 6.000 2.347 2.313 2.368 . 0 0 "[ . 1 . 2]" 1
928 1 121 LEU HA 1 122 VAL MG2 2.500 . 6.500 3.949 3.740 3.995 . 0 0 "[ . 1 . 2]" 1
929 1 122 VAL HA 1 122 VAL MG2 2.500 . 5.500 2.301 2.270 2.326 . 0 0 "[ . 1 . 2]" 1
930 1 122 VAL HA 1 122 VAL HB 2.500 . 6.000 3.025 3.019 3.031 . 0 0 "[ . 1 . 2]" 1
931 1 122 VAL HA 1 122 VAL MG1 2.500 . 5.500 2.404 2.314 2.442 . 0 0 "[ . 1 . 2]" 1
932 1 122 VAL H 1 122 VAL MG1 2.500 . 5.500 3.765 3.745 3.851 . 0 0 "[ . 1 . 2]" 1
933 1 122 VAL H 1 122 VAL HB 2.500 . 6.000 2.451 2.420 2.596 . 0 0 "[ . 1 . 2]" 1
934 1 122 VAL MG2 1 123 PHE H 2.500 . 5.500 3.907 3.853 4.049 . 0 0 "[ . 1 . 2]" 1
935 1 123 PHE QB 1 123 PHE QD 2.500 . 5.000 2.154 2.147 2.156 . 0 0 "[ . 1 . 2]" 1
936 1 123 PHE HA 1 123 PHE QD 2.500 . 6.000 2.551 2.468 2.918 . 0 0 "[ . 1 . 2]" 1
937 1 123 PHE H 1 123 PHE QD 2.500 . 6.000 4.117 3.982 4.198 . 0 0 "[ . 1 . 2]" 1
938 1 123 PHE H 1 123 PHE QB 2.500 . 6.000 2.336 2.305 2.364 . 0 0 "[ . 1 . 2]" 1
939 1 123 PHE HA 1 123 PHE QE 2.500 . 6.000 4.622 4.521 4.770 . 0 0 "[ . 1 . 2]" 1
940 1 123 PHE QD 1 124 THR H 2.500 . 6.000 3.326 3.168 3.767 . 0 0 "[ . 1 . 2]" 1
941 1 123 PHE HZ 1 125 VAL QG 2.500 . 5.500 2.204 2.074 2.507 . 0 0 "[ . 1 . 2]" 1
942 1 124 THR H 1 124 THR HB 2.500 . 6.000 3.082 3.052 3.121 . 0 0 "[ . 1 . 2]" 1
943 1 124 THR H 1 124 THR MG 2.500 . 6.500 2.257 2.175 2.306 . 0 0 "[ . 1 . 2]" 1
944 1 124 THR HA 1 125 VAL QG 2.500 . 6.500 3.200 3.191 3.209 . 0 0 "[ . 1 . 2]" 1
945 1 125 VAL HA 1 125 VAL QG 2.500 . 5.500 2.374 2.366 2.384 . 0 0 "[ . 1 . 2]" 1
946 1 125 VAL H 1 125 VAL QG 2.500 . 5.500 2.176 2.137 2.204 . 0 0 "[ . 1 . 2]" 1
947 1 125 VAL H 1 125 VAL HB 2.500 . 6.000 3.923 3.913 3.933 . 0 0 "[ . 1 . 2]" 1
948 1 126 GLU HA 1 127 ALA MB 2.500 . 6.500 3.881 3.835 3.923 . 0 0 "[ . 1 . 2]" 1
949 1 127 ALA H 1 127 ALA HA 2.500 . 6.000 2.934 2.890 2.977 . 0 0 "[ . 1 . 2]" 1
950 1 127 ALA H 1 127 ALA MB 2.500 . 5.500 2.739 2.559 2.851 . 0 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 459
_Distance_constraint_stats_list.Viol_count 157
_Distance_constraint_stats_list.Viol_total 155.879
_Distance_constraint_stats_list.Viol_max 0.240
_Distance_constraint_stats_list.Viol_rms 0.0083
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0496
_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 1 GLU 0.037 0.020 12 0 "[ . 1 . 2]"
1 2 LYS 0.037 0.020 12 0 "[ . 1 . 2]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LYS 0.344 0.149 19 0 "[ . 1 . 2]"
1 5 GLY 0.344 0.149 19 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 THR 0.205 0.032 18 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.205 0.032 18 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.011 0.011 2 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 TYR 0.657 0.139 19 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASN 0.198 0.069 12 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 0.005 0.005 3 0 "[ . 1 . 2]"
1 26 SER 0.202 0.069 12 0 "[ . 1 . 2]"
1 27 ASN 0.239 0.074 3 0 "[ . 1 . 2]"
1 28 LYS 0.464 0.076 18 0 "[ . 1 . 2]"
1 29 SER 0.644 0.076 18 0 "[ . 1 . 2]"
1 30 SER 0.786 0.084 14 0 "[ . 1 . 2]"
1 31 ASN 0.366 0.084 14 0 "[ . 1 . 2]"
1 32 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLN 1.556 0.240 14 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 HIS 0.465 0.078 16 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 1.042 0.139 7 0 "[ . 1 . 2]"
1 47 LEU 0.067 0.066 19 0 "[ . 1 . 2]"
1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASN 0.386 0.040 16 0 "[ . 1 . 2]"
1 56 TYR 1.232 0.097 7 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 SER 0.042 0.033 1 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.042 0.033 1 0 "[ . 1 . 2]"
1 79 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 HIS 0.936 0.055 5 0 "[ . 1 . 2]"
1 91 TYR 0.936 0.055 5 0 "[ . 1 . 2]"
1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASN 0.846 0.097 7 0 "[ . 1 . 2]"
1 94 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ARG 0.067 0.066 19 0 "[ . 1 . 2]"
1 99 LEU 0.577 0.139 7 0 "[ . 1 . 2]"
1 100 PRO 0.046 0.046 19 0 "[ . 1 . 2]"
1 101 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 LEU 0.046 0.046 19 0 "[ . 1 . 2]"
1 103 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 LYS 0.091 0.091 8 0 "[ . 1 . 2]"
1 116 ASP 0.169 0.091 8 0 "[ . 1 . 2]"
1 117 ASN 0.078 0.078 8 0 "[ . 1 . 2]"
1 118 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 LYS 0.059 0.033 8 0 "[ . 1 . 2]"
1 120 LYS 1.497 0.240 14 0 "[ . 1 . 2]"
1 121 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ALA 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 1 GLU QB 1 2 LYS H 2.500 . 5.000 2.896 1.780 4.038 0.020 12 0 "[ . 1 . 2]" 2
2 1 1 GLU QG 1 2 LYS H 2.500 . 5.000 3.737 2.065 4.744 . 0 0 "[ . 1 . 2]" 2
3 1 2 LYS H 1 2 LYS QE 2.500 . 6.000 4.855 4.061 5.485 . 0 0 "[ . 1 . 2]" 2
4 1 2 LYS HA 1 3 VAL H 2.500 . 2.900 2.353 2.254 2.429 . 0 0 "[ . 1 . 2]" 2
5 1 2 LYS QB 1 17 SER H 2.500 . 6.000 3.075 2.671 3.764 . 0 0 "[ . 1 . 2]" 2
6 1 3 VAL MG2 1 4 LYS H 2.500 . 5.500 3.946 3.863 4.094 . 0 0 "[ . 1 . 2]" 2
7 1 3 VAL MG1 1 4 LYS H 2.500 . 4.000 2.478 2.354 2.596 . 0 0 "[ . 1 . 2]" 2
8 1 3 VAL HA 1 4 LYS H 2.500 . 2.900 2.226 2.215 2.240 . 0 0 "[ . 1 . 2]" 2
9 1 3 VAL H 1 15 ILE MG 2.500 . 5.500 5.193 4.825 5.448 . 0 0 "[ . 1 . 2]" 2
10 1 3 VAL H 1 16 PHE HA 2.500 . 5.000 2.922 2.653 3.327 . 0 0 "[ . 1 . 2]" 2
11 1 3 VAL H 1 17 SER H 2.500 . 5.000 3.727 3.340 4.030 . 0 0 "[ . 1 . 2]" 2
12 1 3 VAL HB 1 17 SER H 2.500 . 6.000 4.480 4.225 4.682 . 0 0 "[ . 1 . 2]" 2
13 1 4 LYS H 1 5 GLY H 2.500 . 6.000 4.541 4.495 4.585 . 0 0 "[ . 1 . 2]" 2
14 1 4 LYS QB 1 5 GLY H 2.500 . 5.000 3.317 3.186 3.441 . 0 0 "[ . 1 . 2]" 2
15 1 4 LYS QD 1 5 GLY H 2.500 . 5.000 3.966 3.660 5.131 0.131 18 0 "[ . 1 . 2]" 2
16 1 4 LYS QE 1 5 GLY H 2.500 . 6.000 5.832 5.462 6.149 0.149 19 0 "[ . 1 . 2]" 2
17 1 4 LYS HA 1 17 SER H 2.500 . 5.000 3.288 2.785 3.506 . 0 0 "[ . 1 . 2]" 2
18 1 5 GLY H 1 6 CYS H 2.500 . 6.000 4.367 4.296 4.387 . 0 0 "[ . 1 . 2]" 2
19 1 5 GLY QA 1 6 CYS H 2.500 . 5.000 2.300 2.248 2.319 . 0 0 "[ . 1 . 2]" 2
20 1 5 GLY H 1 17 SER H 2.500 . 5.000 3.416 2.836 3.805 . 0 0 "[ . 1 . 2]" 2
21 1 5 GLY H 1 17 SER QB 2.500 . 6.000 3.892 2.950 4.871 . 0 0 "[ . 1 . 2]" 2
22 1 5 GLY H 1 40 VAL QG 2.500 . 5.500 3.440 3.154 3.587 . 0 0 "[ . 1 . 2]" 2
23 1 5 GLY QA 1 49 GLY H 2.500 . 5.000 3.032 2.927 3.216 . 0 0 "[ . 1 . 2]" 2
24 1 6 CYS HA 1 7 ASP H 2.500 . 3.500 2.189 2.175 2.226 . 0 0 "[ . 1 . 2]" 2
25 1 6 CYS QB 1 7 ASP H 2.500 . 6.000 3.667 3.583 3.744 . 0 0 "[ . 1 . 2]" 2
26 1 6 CYS HA 1 18 LYS H 2.500 . 5.000 4.185 3.744 4.434 . 0 0 "[ . 1 . 2]" 2
27 1 6 CYS H 1 40 VAL QG 2.500 . 5.500 4.274 4.072 4.422 . 0 0 "[ . 1 . 2]" 2
28 1 6 CYS H 1 49 GLY H 2.500 . 6.000 5.159 4.900 5.464 . 0 0 "[ . 1 . 2]" 2
29 1 6 CYS H 1 50 PHE HA 2.500 . 5.000 2.870 2.692 3.165 . 0 0 "[ . 1 . 2]" 2
30 1 6 CYS H 1 50 PHE QB 2.500 . 5.000 2.486 2.345 2.613 . 0 0 "[ . 1 . 2]" 2
31 1 6 CYS H 1 51 LYS H 2.500 . 6.000 4.024 3.881 4.268 . 0 0 "[ . 1 . 2]" 2
32 1 7 ASP QB 1 8 PHE H 2.500 . 6.000 3.930 3.918 3.947 . 0 0 "[ . 1 . 2]" 2
33 1 7 ASP QB 1 10 THR H 2.500 . 5.000 3.125 2.944 3.268 . 0 0 "[ . 1 . 2]" 2
34 1 7 ASP H 1 18 LYS H 2.500 . 6.000 4.752 4.432 4.888 . 0 0 "[ . 1 . 2]" 2
35 1 7 ASP H 1 20 TYR H 2.500 . 6.000 3.675 3.466 3.913 . 0 0 "[ . 1 . 2]" 2
36 1 8 PHE H 1 9 THR H 2.500 . 5.000 2.409 2.351 2.471 . 0 0 "[ . 1 . 2]" 2
37 1 8 PHE QB 1 9 THR H 2.500 . 6.000 3.365 3.329 3.421 . 0 0 "[ . 1 . 2]" 2
38 1 8 PHE H 1 10 THR H 2.500 . 5.000 4.227 4.142 4.335 . 0 0 "[ . 1 . 2]" 2
39 1 8 PHE HA 1 10 THR H 2.500 . 6.000 4.023 3.981 4.095 . 0 0 "[ . 1 . 2]" 2
40 1 8 PHE H 1 51 LYS QB 2.500 . 5.000 4.020 3.811 4.169 . 0 0 "[ . 1 . 2]" 2
41 1 8 PHE H 1 51 LYS H 2.500 . 5.000 3.891 3.632 4.045 . 0 0 "[ . 1 . 2]" 2
42 1 9 THR H 1 9 THR HB 2.500 . 5.000 2.601 2.486 2.720 . 0 0 "[ . 1 . 2]" 2
43 1 9 THR H 1 10 THR H 2.500 . 2.900 2.206 2.097 2.254 . 0 0 "[ . 1 . 2]" 2
44 1 9 THR H 1 20 TYR H 2.500 . 6.000 4.655 4.364 4.960 . 0 0 "[ . 1 . 2]" 2
45 1 9 THR H 1 51 LYS QB 2.500 . 6.000 4.329 3.956 4.535 . 0 0 "[ . 1 . 2]" 2
46 1 9 THR MG 1 54 SER H 2.500 . 6.500 3.422 3.095 3.920 . 0 0 "[ . 1 . 2]" 2
47 1 10 THR H 1 11 SER H 2.500 . 5.000 4.145 4.057 4.180 . 0 0 "[ . 1 . 2]" 2
48 1 10 THR MG 1 11 SER H 2.500 . 5.500 2.704 2.531 2.976 . 0 0 "[ . 1 . 2]" 2
49 1 10 THR MG 1 12 GLU H 2.500 . 5.500 1.804 1.768 1.939 0.032 18 0 "[ . 1 . 2]" 2
50 1 10 THR MG 1 13 SER H 2.500 . 5.500 3.819 3.435 4.651 . 0 0 "[ . 1 . 2]" 2
51 1 10 THR MG 1 14 THR H 2.500 . 6.500 4.607 3.784 5.036 . 0 0 "[ . 1 . 2]" 2
52 1 10 THR H 1 19 GLY QA 2.500 . 7.000 4.198 3.959 4.417 . 0 0 "[ . 1 . 2]" 2
53 1 10 THR H 1 20 TYR H 2.500 . 5.000 3.888 3.561 4.311 . 0 0 "[ . 1 . 2]" 2
54 1 11 SER H 1 12 GLU H 2.500 . 2.900 2.567 2.484 2.659 . 0 0 "[ . 1 . 2]" 2
55 1 11 SER HA 1 12 GLU H 2.500 . 5.000 3.483 3.457 3.510 . 0 0 "[ . 1 . 2]" 2
56 1 11 SER QB 1 12 GLU H 2.500 . 5.000 3.262 2.726 3.599 . 0 0 "[ . 1 . 2]" 2
57 1 11 SER HA 1 19 GLY H 2.500 . 6.000 4.248 3.972 4.470 . 0 0 "[ . 1 . 2]" 2
58 1 11 SER HA 1 20 TYR H 2.500 . 5.000 2.939 2.686 3.227 . 0 0 "[ . 1 . 2]" 2
59 1 11 SER QB 1 21 SER H 2.500 . 5.000 3.347 2.767 4.114 . 0 0 "[ . 1 . 2]" 2
60 1 12 GLU H 1 13 SER H 2.500 . 5.000 3.656 3.567 4.214 . 0 0 "[ . 1 . 2]" 2
61 1 12 GLU QB 1 13 SER H 2.500 . 5.000 3.866 3.576 3.901 . 0 0 "[ . 1 . 2]" 2
62 1 12 GLU QG 1 13 SER H 2.500 . 5.000 4.583 4.258 4.808 . 0 0 "[ . 1 . 2]" 2
63 1 13 SER QB 1 14 THR H 2.500 . 6.000 3.088 2.665 3.531 . 0 0 "[ . 1 . 2]" 2
64 1 13 SER HA 1 14 THR H 2.500 . 3.500 2.267 2.160 2.345 . 0 0 "[ . 1 . 2]" 2
65 1 13 SER H 1 14 THR H 2.500 . 6.000 4.590 4.253 4.667 . 0 0 "[ . 1 . 2]" 2
66 1 13 SER H 1 16 PHE QB 2.500 . 6.000 4.501 4.357 4.619 . 0 0 "[ . 1 . 2]" 2
67 1 14 THR H 1 15 ILE H 2.500 . 3.500 2.327 2.167 2.693 . 0 0 "[ . 1 . 2]" 2
68 1 14 THR H 1 16 PHE H 2.500 . 6.000 3.826 3.109 4.351 . 0 0 "[ . 1 . 2]" 2
69 1 15 ILE H 1 16 PHE QB 2.500 . 6.000 4.076 3.956 4.426 . 0 0 "[ . 1 . 2]" 2
70 1 15 ILE H 1 16 PHE H 2.500 . 3.500 1.912 1.840 2.410 . 0 0 "[ . 1 . 2]" 2
71 1 15 ILE MG 1 16 PHE H 2.500 . 5.500 4.156 4.040 4.285 . 0 0 "[ . 1 . 2]" 2
72 1 15 ILE QG 1 16 PHE H 2.500 . 5.000 2.241 1.815 2.635 . 0 0 "[ . 1 . 2]" 2
73 1 15 ILE HB 1 16 PHE H 2.500 . 5.000 3.814 3.494 4.080 . 0 0 "[ . 1 . 2]" 2
74 1 16 PHE HA 1 17 SER H 2.500 . 3.500 2.219 2.190 2.269 . 0 0 "[ . 1 . 2]" 2
75 1 16 PHE QB 1 17 SER H 2.500 . 5.000 2.966 2.839 3.122 . 0 0 "[ . 1 . 2]" 2
76 1 16 PHE QB 1 18 LYS H 2.500 . 5.000 2.535 2.413 2.765 . 0 0 "[ . 1 . 2]" 2
77 1 16 PHE HA 1 18 LYS H 2.500 . 6.000 3.887 3.796 4.031 . 0 0 "[ . 1 . 2]" 2
78 1 17 SER H 1 18 LYS H 2.500 . 5.000 2.626 2.515 2.702 . 0 0 "[ . 1 . 2]" 2
79 1 17 SER QB 1 18 LYS H 2.500 . 5.000 3.191 2.879 3.711 . 0 0 "[ . 1 . 2]" 2
80 1 17 SER HA 1 18 LYS H 2.500 . 5.000 3.479 3.456 3.526 . 0 0 "[ . 1 . 2]" 2
81 1 18 LYS H 1 18 LYS QD 2.500 . 5.000 4.351 3.767 5.011 0.011 2 0 "[ . 1 . 2]" 2
82 1 18 LYS HA 1 19 GLY H 2.500 . 2.900 2.219 2.162 2.348 . 0 0 "[ . 1 . 2]" 2
83 1 18 LYS QB 1 19 GLY H 2.500 . 5.000 3.197 2.623 3.734 . 0 0 "[ . 1 . 2]" 2
84 1 18 LYS QD 1 19 GLY H 2.500 . 5.000 3.970 3.367 4.912 . 0 0 "[ . 1 . 2]" 2
85 1 18 LYS QG 1 19 GLY H 2.500 . 5.000 3.713 2.334 4.690 . 0 0 "[ . 1 . 2]" 2
86 1 19 GLY H 1 19 GLY QA 2.500 . 5.000 2.499 2.443 2.522 . 0 0 "[ . 1 . 2]" 2
87 1 19 GLY QA 1 20 TYR H 2.500 . 3.500 2.288 2.245 2.316 . 0 0 "[ . 1 . 2]" 2
88 1 20 TYR H 1 20 TYR QE 2.500 . 5.000 5.029 4.974 5.139 0.139 19 0 "[ . 1 . 2]" 2
89 1 20 TYR H 1 21 SER H 2.500 . 5.000 4.504 4.475 4.531 . 0 0 "[ . 1 . 2]" 2
90 1 20 TYR QB 1 21 SER H 2.500 . 5.000 2.616 2.337 2.925 . 0 0 "[ . 1 . 2]" 2
91 1 20 TYR HA 1 21 SER H 2.500 . 2.900 2.360 2.260 2.464 . 0 0 "[ . 1 . 2]" 2
92 1 20 TYR H 1 25 ILE MG 2.500 . 6.500 5.111 4.551 6.279 . 0 0 "[ . 1 . 2]" 2
93 1 21 SER HA 1 22 ILE H 2.500 . 2.900 2.359 2.314 2.454 . 0 0 "[ . 1 . 2]" 2
94 1 21 SER QB 1 23 ASN H 2.500 . 5.000 3.109 2.411 3.516 . 0 0 "[ . 1 . 2]" 2
95 1 21 SER HA 1 24 GLU H 2.500 . 5.000 4.627 4.518 4.878 . 0 0 "[ . 1 . 2]" 2
96 1 21 SER QB 1 24 GLU H 2.500 . 5.000 2.577 2.271 3.489 . 0 0 "[ . 1 . 2]" 2
97 1 21 SER H 1 24 GLU H 2.500 . 6.000 3.666 3.320 4.012 . 0 0 "[ . 1 . 2]" 2
98 1 21 SER H 1 24 GLU QB 2.500 . 6.000 2.563 2.078 3.479 . 0 0 "[ . 1 . 2]" 2
99 1 21 SER H 1 25 ILE MG 2.500 . 6.500 4.293 3.732 5.423 . 0 0 "[ . 1 . 2]" 2
100 1 22 ILE H 1 23 ASN H 2.500 . 3.500 2.718 2.632 2.856 . 0 0 "[ . 1 . 2]" 2
101 1 22 ILE HA 1 23 ASN H 2.500 . 5.000 3.502 3.452 3.535 . 0 0 "[ . 1 . 2]" 2
102 1 22 ILE MG 1 23 ASN H 2.500 . 5.500 3.935 3.888 4.036 . 0 0 "[ . 1 . 2]" 2
103 1 22 ILE HB 1 23 ASN H 2.500 . 5.000 3.899 3.807 4.046 . 0 0 "[ . 1 . 2]" 2
104 1 22 ILE QG 1 23 ASN H 2.500 . 5.000 2.187 2.071 2.410 . 0 0 "[ . 1 . 2]" 2
105 1 22 ILE H 1 24 GLU H 2.500 . 5.000 4.430 4.266 4.714 . 0 0 "[ . 1 . 2]" 2
106 1 22 ILE HA 1 25 ILE H 2.500 . 5.000 3.598 3.138 3.959 . 0 0 "[ . 1 . 2]" 2
107 1 23 ASN H 1 24 GLU H 2.500 . 3.500 2.632 2.544 2.703 . 0 0 "[ . 1 . 2]" 2
108 1 23 ASN H 1 24 GLU QB 2.500 . 5.000 4.579 4.365 4.738 . 0 0 "[ . 1 . 2]" 2
109 1 23 ASN QB 1 24 GLU H 2.500 . 5.000 2.504 2.262 2.675 . 0 0 "[ . 1 . 2]" 2
110 1 23 ASN H 1 25 ILE H 2.500 . 5.000 4.224 3.919 4.421 . 0 0 "[ . 1 . 2]" 2
111 1 23 ASN HA 1 26 SER H 2.500 . 3.500 3.371 3.211 3.569 0.069 12 0 "[ . 1 . 2]" 2
112 1 24 GLU H 1 25 ILE MG 2.500 . 5.500 4.445 3.900 4.706 . 0 0 "[ . 1 . 2]" 2
113 1 24 GLU H 1 25 ILE H 2.500 . 3.500 2.821 2.635 2.993 . 0 0 "[ . 1 . 2]" 2
114 1 24 GLU HA 1 25 ILE H 2.500 . 5.000 3.577 3.558 3.596 . 0 0 "[ . 1 . 2]" 2
115 1 24 GLU QB 1 25 ILE H 2.500 . 5.000 2.531 2.378 2.661 . 0 0 "[ . 1 . 2]" 2
116 1 25 ILE H 1 25 ILE MG 2.500 . 4.000 2.321 2.095 2.574 . 0 0 "[ . 1 . 2]" 2
117 1 25 ILE H 1 26 SER H 2.500 . 3.500 2.516 2.246 2.742 . 0 0 "[ . 1 . 2]" 2
118 1 25 ILE QG 1 26 SER H 2.500 . 5.000 2.373 1.795 2.817 0.005 3 0 "[ . 1 . 2]" 2
119 1 25 ILE MG 1 26 SER H 2.500 . 5.500 4.034 3.791 4.178 . 0 0 "[ . 1 . 2]" 2
120 1 26 SER H 1 27 ASN H 2.500 . 5.000 2.881 2.052 4.552 . 0 0 "[ . 1 . 2]" 2
121 1 26 SER QB 1 27 ASN H 2.500 . 5.000 2.672 1.816 4.048 . 0 0 "[ . 1 . 2]" 2
122 1 26 SER QB 1 28 LYS H 2.500 . 6.000 4.671 2.345 5.925 . 0 0 "[ . 1 . 2]" 2
123 1 27 ASN HA 1 28 LYS H 2.500 . 3.500 2.603 2.188 3.574 0.074 3 0 "[ . 1 . 2]" 2
124 1 27 ASN QB 1 28 LYS H 2.500 . 5.000 3.524 1.762 4.052 0.038 1 0 "[ . 1 . 2]" 2
125 1 28 LYS H 1 29 SER H 2.500 . 5.000 3.498 2.144 4.697 . 0 0 "[ . 1 . 2]" 2
126 1 28 LYS QD 1 29 SER H 2.500 . 6.000 5.019 3.419 6.041 0.041 1 0 "[ . 1 . 2]" 2
127 1 28 LYS QB 1 29 SER H 2.500 . 5.000 3.442 1.762 4.056 0.038 19 0 "[ . 1 . 2]" 2
128 1 28 LYS HA 1 29 SER H 2.500 . 3.500 2.827 2.195 3.576 0.076 18 0 "[ . 1 . 2]" 2
129 1 29 SER HA 1 30 SER H 2.500 . 3.500 3.030 2.178 3.571 0.071 5 0 "[ . 1 . 2]" 2
130 1 30 SER HA 1 31 ASN H 2.500 . 3.500 2.922 2.196 3.584 0.084 14 0 "[ . 1 . 2]" 2
131 1 30 SER HA 1 32 ASN H 2.500 . 6.000 4.353 3.204 5.819 . 0 0 "[ . 1 . 2]" 2
132 1 33 GLN H 1 34 GLN H 2.500 . 5.000 3.425 1.815 4.705 . 0 0 "[ . 1 . 2]" 2
133 1 34 GLN QB 1 35 ASP H 2.500 . 5.000 3.391 1.889 4.057 . 0 0 "[ . 1 . 2]" 2
134 1 34 GLN HA 1 35 ASP H 2.500 . 4.000 3.203 2.717 3.585 . 0 0 "[ . 1 . 2]" 2
135 1 34 GLN H 1 119 LYS QE 2.500 . 6.000 5.164 3.623 6.027 0.027 9 0 "[ . 1 . 2]" 2
136 1 34 GLN H 1 119 LYS QD 2.500 . 6.000 4.799 3.103 6.033 0.033 8 0 "[ . 1 . 2]" 2
137 1 34 GLN H 1 120 LYS QE 2.500 . 6.000 6.050 5.814 6.240 0.240 14 0 "[ . 1 . 2]" 2
138 1 35 ASP HA 1 36 ILE H 2.500 . 2.900 2.229 2.199 2.269 . 0 0 "[ . 1 . 2]" 2
139 1 35 ASP H 1 36 ILE H 2.500 . 5.000 4.223 4.015 4.670 . 0 0 "[ . 1 . 2]" 2
140 1 36 ILE MG 1 37 VAL H 2.500 . 5.500 2.845 2.739 3.009 . 0 0 "[ . 1 . 2]" 2
141 1 36 ILE HA 1 37 VAL H 2.500 . 2.900 2.199 2.193 2.205 . 0 0 "[ . 1 . 2]" 2
142 1 36 ILE QG 1 37 VAL H 2.500 . 6.000 4.814 4.755 4.895 . 0 0 "[ . 1 . 2]" 2
143 1 36 ILE H 1 37 VAL MG2 2.500 . 5.500 4.164 4.070 4.303 . 0 0 "[ . 1 . 2]" 2
144 1 36 ILE H 1 121 LEU HA 2.500 . 5.000 2.817 2.598 3.007 . 0 0 "[ . 1 . 2]" 2
145 1 36 ILE H 1 122 VAL H 2.500 . 5.000 3.315 3.059 3.562 . 0 0 "[ . 1 . 2]" 2
146 1 37 VAL H 1 37 VAL MG2 2.500 . 4.000 2.870 2.625 2.976 . 0 0 "[ . 1 . 2]" 2
147 1 37 VAL H 1 38 CYS H 2.500 . 5.000 4.402 4.367 4.437 . 0 0 "[ . 1 . 2]" 2
148 1 37 VAL MG1 1 38 CYS H 2.500 . 4.000 2.579 2.457 2.701 . 0 0 "[ . 1 . 2]" 2
149 1 37 VAL HB 1 38 CYS H 2.500 . 5.000 4.274 4.217 4.336 . 0 0 "[ . 1 . 2]" 2
150 1 38 CYS H 1 39 THR H 2.500 . 6.000 4.162 4.139 4.184 . 0 0 "[ . 1 . 2]" 2
151 1 38 CYS HA 1 39 THR H 2.500 . 2.900 2.261 2.246 2.278 . 0 0 "[ . 1 . 2]" 2
152 1 38 CYS QB 1 39 THR H 2.500 . 5.000 3.667 3.650 3.698 . 0 0 "[ . 1 . 2]" 2
153 1 38 CYS H 1 122 VAL H 2.500 . 5.000 4.552 4.426 4.759 . 0 0 "[ . 1 . 2]" 2
154 1 38 CYS H 1 122 VAL HB 2.500 . 5.000 4.147 3.945 4.301 . 0 0 "[ . 1 . 2]" 2
155 1 8 PHE HZ 1 38 CYS H 2.500 . 6.000 3.588 3.440 3.767 . 0 0 "[ . 1 . 2]" 2
156 1 38 CYS H 1 123 PHE HA 2.500 . 5.000 2.689 2.595 2.799 . 0 0 "[ . 1 . 2]" 2
157 1 38 CYS H 1 124 THR H 2.500 . 5.000 2.941 2.739 3.079 . 0 0 "[ . 1 . 2]" 2
158 1 38 CYS QB 1 124 THR H 2.500 . 6.000 2.784 2.686 2.864 . 0 0 "[ . 1 . 2]" 2
159 1 39 THR HB 1 40 VAL H 2.500 . 5.000 4.310 4.287 4.335 . 0 0 "[ . 1 . 2]" 2
160 1 39 THR HA 1 40 VAL H 2.500 . 2.900 2.170 2.161 2.181 . 0 0 "[ . 1 . 2]" 2
161 1 39 THR H 1 40 VAL H 2.500 . 5.000 4.440 4.429 4.461 . 0 0 "[ . 1 . 2]" 2
162 1 39 THR HA 1 124 THR H 2.500 . 5.000 3.881 3.684 4.052 . 0 0 "[ . 1 . 2]" 2
163 1 40 VAL HA 1 41 LYS H 2.500 . 2.900 2.353 2.249 2.395 . 0 0 "[ . 1 . 2]" 2
164 1 40 VAL QG 1 41 LYS H 2.500 . 4.000 3.315 3.110 3.466 . 0 0 "[ . 1 . 2]" 2
165 1 40 VAL H 1 41 LYS H 2.500 . 5.000 4.436 4.366 4.462 . 0 0 "[ . 1 . 2]" 2
166 1 40 VAL H 1 124 THR H 2.500 . 5.000 4.784 4.644 4.869 . 0 0 "[ . 1 . 2]" 2
167 1 40 VAL H 1 125 VAL HA 2.500 . 5.000 2.362 2.307 2.421 . 0 0 "[ . 1 . 2]" 2
168 1 40 VAL H 1 125 VAL HB 2.500 . 6.000 4.123 4.001 4.217 . 0 0 "[ . 1 . 2]" 2
169 1 40 VAL H 1 125 VAL QG 2.500 . 6.500 3.264 3.158 3.370 . 0 0 "[ . 1 . 2]" 2
170 1 40 VAL H 1 126 GLU H 2.500 . 5.000 3.974 3.918 4.039 . 0 0 "[ . 1 . 2]" 2
171 1 41 LYS HA 1 42 ALA H 2.500 . 2.900 2.200 2.178 2.215 . 0 0 "[ . 1 . 2]" 2
172 1 41 LYS H 1 42 ALA H 2.500 . 5.000 4.508 4.429 4.549 . 0 0 "[ . 1 . 2]" 2
173 1 42 ALA MB 1 43 HIS H 2.500 . 4.000 2.624 2.428 3.204 . 0 0 "[ . 1 . 2]" 2
174 1 42 ALA HA 1 43 HIS H 2.500 . 2.900 2.366 2.181 2.440 . 0 0 "[ . 1 . 2]" 2
175 1 42 ALA H 1 125 VAL QG 2.500 . 5.500 3.974 3.763 4.063 . 0 0 "[ . 1 . 2]" 2
176 1 42 ALA H 1 126 GLU H 2.500 . 5.000 3.140 2.899 3.385 . 0 0 "[ . 1 . 2]" 2
177 1 42 ALA MB 1 127 ALA H 2.500 . 6.500 5.004 4.701 5.222 . 0 0 "[ . 1 . 2]" 2
178 1 43 HIS H 1 43 HIS HA 2.500 . 5.000 2.989 2.944 2.999 . 0 0 "[ . 1 . 2]" 2
179 1 43 HIS HA 1 44 ALA H 2.500 . 2.900 2.308 2.283 2.341 . 0 0 "[ . 1 . 2]" 2
180 1 43 HIS QB 1 44 ALA H 2.500 . 3.500 3.397 3.340 3.461 . 0 0 "[ . 1 . 2]" 2
181 1 43 HIS HD2 1 44 ALA H 2.500 . 5.000 3.927 3.116 4.475 . 0 0 "[ . 1 . 2]" 2
182 1 43 HIS QB 1 46 ASP H 2.500 . 6.000 1.908 1.841 2.097 . 0 0 "[ . 1 . 2]" 2
183 1 43 HIS H 1 46 ASP QB 2.500 . 5.000 1.821 1.722 2.122 0.078 16 0 "[ . 1 . 2]" 2
184 1 44 ALA HA 1 45 ASN H 2.500 . 4.000 3.492 3.475 3.535 . 0 0 "[ . 1 . 2]" 2
185 1 44 ALA MB 1 45 ASN H 2.500 . 4.000 2.883 2.793 2.943 . 0 0 "[ . 1 . 2]" 2
186 1 44 ALA H 1 45 ASN H 2.500 . 5.000 2.764 2.735 2.847 . 0 0 "[ . 1 . 2]" 2
187 1 44 ALA HA 1 46 ASP H 2.500 . 5.000 4.429 4.171 4.524 . 0 0 "[ . 1 . 2]" 2
188 1 44 ALA MB 1 101 SER H 2.500 . 6.500 4.134 3.872 4.372 . 0 0 "[ . 1 . 2]" 2
189 1 44 ALA MB 1 102 LEU H 2.500 . 5.500 3.436 2.850 4.020 . 0 0 "[ . 1 . 2]" 2
190 1 44 ALA H 1 103 ILE MD 2.500 . 5.500 3.401 3.023 3.905 . 0 0 "[ . 1 . 2]" 2
191 1 45 ASN H 1 46 ASP H 2.500 . 5.000 2.146 2.083 2.278 . 0 0 "[ . 1 . 2]" 2
192 1 45 ASN H 1 99 LEU QB 2.500 . 5.000 4.558 4.350 4.980 . 0 0 "[ . 1 . 2]" 2
193 1 45 ASN H 1 103 ILE MG 2.500 . 7.500 7.247 6.835 7.492 . 0 0 "[ . 1 . 2]" 2
194 1 45 ASN H 1 103 ILE MD 2.500 . 6.500 5.066 4.847 5.451 . 0 0 "[ . 1 . 2]" 2
195 1 46 ASP QB 1 47 LEU H 2.500 . 5.000 3.108 3.044 3.194 . 0 0 "[ . 1 . 2]" 2
196 1 46 ASP H 1 99 LEU H 2.500 . 6.000 5.855 5.643 6.050 0.050 6 0 "[ . 1 . 2]" 2
197 1 46 ASP H 1 99 LEU QB 2.500 . 5.000 4.548 4.158 5.139 0.139 7 0 "[ . 1 . 2]" 2
198 1 47 LEU H 1 48 ILE H 2.500 . 5.000 4.660 4.644 4.668 . 0 0 "[ . 1 . 2]" 2
199 1 47 LEU H 1 48 ILE MG 2.500 . 5.500 4.676 4.559 4.886 . 0 0 "[ . 1 . 2]" 2
200 1 47 LEU HA 1 48 ILE H 2.500 . 2.900 2.317 2.286 2.338 . 0 0 "[ . 1 . 2]" 2
201 1 47 LEU HA 1 97 SER H 2.500 . 6.000 5.054 4.896 5.346 . 0 0 "[ . 1 . 2]" 2
202 1 47 LEU H 1 98 ARG HA 2.500 . 7.000 6.076 5.875 6.295 . 0 0 "[ . 1 . 2]" 2
203 1 47 LEU QD 1 98 ARG HE 2.500 . 6.500 3.248 1.734 4.578 0.066 19 0 "[ . 1 . 2]" 2
204 1 47 LEU HA 1 99 LEU H 2.500 . 5.000 3.772 3.369 4.204 . 0 0 "[ . 1 . 2]" 2
205 1 48 ILE QG 1 49 GLY H 2.500 . 6.000 4.001 3.886 4.193 . 0 0 "[ . 1 . 2]" 2
206 1 48 ILE MG 1 49 GLY H 2.500 . 5.500 3.857 3.768 3.930 . 0 0 "[ . 1 . 2]" 2
207 1 48 ILE HA 1 49 GLY H 2.500 . 3.500 2.231 2.200 2.259 . 0 0 "[ . 1 . 2]" 2
208 1 48 ILE HB 1 49 GLY H 2.500 . 3.500 3.016 2.940 3.157 . 0 0 "[ . 1 . 2]" 2
209 1 48 ILE H 1 49 GLY H 2.500 . 6.000 4.484 4.470 4.495 . 0 0 "[ . 1 . 2]" 2
210 1 48 ILE H 1 97 SER H 2.500 . 5.000 3.207 3.074 3.435 . 0 0 "[ . 1 . 2]" 2
211 1 48 ILE H 1 99 LEU H 2.500 . 6.000 4.454 4.159 4.757 . 0 0 "[ . 1 . 2]" 2
212 1 48 ILE H 1 99 LEU HG 2.500 . 5.000 4.024 3.768 4.392 . 0 0 "[ . 1 . 2]" 2
213 1 49 GLY QA 1 50 PHE H 2.500 . 3.500 2.328 2.266 2.339 . 0 0 "[ . 1 . 2]" 2
214 1 49 GLY H 1 50 PHE H 2.500 . 5.000 4.385 4.292 4.400 . 0 0 "[ . 1 . 2]" 2
215 1 49 GLY QA 1 97 SER H 2.500 . 6.000 3.554 3.280 3.665 . 0 0 "[ . 1 . 2]" 2
216 1 50 PHE HA 1 51 LYS H 2.500 . 3.500 2.504 2.486 2.532 . 0 0 "[ . 1 . 2]" 2
217 1 50 PHE QB 1 51 LYS H 2.500 . 5.000 2.360 2.279 2.402 . 0 0 "[ . 1 . 2]" 2
218 1 50 PHE QE 1 95 PHE H 2.500 . 5.000 4.319 4.151 4.499 . 0 0 "[ . 1 . 2]" 2
219 1 50 PHE H 1 95 PHE QB 2.500 . 5.000 3.400 3.109 3.564 . 0 0 "[ . 1 . 2]" 2
220 1 50 PHE H 1 96 TYR HA 2.500 . 5.000 4.098 3.783 4.223 . 0 0 "[ . 1 . 2]" 2
221 1 51 LYS QD 1 52 CYS H 2.500 . 5.000 4.386 4.235 4.467 . 0 0 "[ . 1 . 2]" 2
222 1 51 LYS QB 1 52 CYS H 2.500 . 5.000 3.588 3.560 3.612 . 0 0 "[ . 1 . 2]" 2
223 1 51 LYS HA 1 52 CYS H 2.500 . 2.900 2.264 2.251 2.275 . 0 0 "[ . 1 . 2]" 2
224 1 52 CYS H 1 93 ASN QD 2.500 . 6.000 4.560 4.456 4.763 . 0 0 "[ . 1 . 2]" 2
225 1 52 CYS H 1 93 ASN QB 2.500 . 5.000 2.624 2.545 2.740 . 0 0 "[ . 1 . 2]" 2
226 1 52 CYS H 1 94 THR HA 2.500 . 5.000 3.869 3.703 3.974 . 0 0 "[ . 1 . 2]" 2
227 1 53 PRO QB 1 54 SER H 2.500 . 5.000 3.010 2.905 3.104 . 0 0 "[ . 1 . 2]" 2
228 1 53 PRO HA 1 54 SER H 2.500 . 2.900 2.278 2.240 2.327 . 0 0 "[ . 1 . 2]" 2
229 1 53 PRO QB 1 55 ASN H 2.500 . 6.000 2.321 2.251 2.378 . 0 0 "[ . 1 . 2]" 2
230 1 53 PRO QB 1 56 TYR H 2.500 . 6.000 3.193 3.146 3.307 . 0 0 "[ . 1 . 2]" 2
231 1 54 SER HA 1 55 ASN H 2.500 . 5.000 3.417 3.401 3.432 . 0 0 "[ . 1 . 2]" 2
232 1 54 SER QB 1 56 TYR H 2.500 . 6.000 4.653 4.570 4.851 . 0 0 "[ . 1 . 2]" 2
233 1 54 SER HA 1 56 TYR H 2.500 . 5.000 3.602 3.521 3.686 . 0 0 "[ . 1 . 2]" 2
234 1 54 SER H 1 93 ASN QD 2.500 . 6.000 4.173 4.032 4.380 . 0 0 "[ . 1 . 2]" 2
235 1 55 ASN H 1 56 TYR H 2.500 . 3.500 2.439 2.377 2.503 . 0 0 "[ . 1 . 2]" 2
236 1 55 ASN QD 1 56 TYR H 2.500 . 5.000 5.016 4.947 5.040 0.040 16 0 "[ . 1 . 2]" 2
237 1 55 ASN H 1 93 ASN QD 2.500 . 6.000 4.439 4.302 4.515 . 0 0 "[ . 1 . 2]" 2
238 1 56 TYR H 1 57 SER H 2.500 . 5.000 4.576 4.554 4.597 . 0 0 "[ . 1 . 2]" 2
239 1 56 TYR QB 1 57 SER H 2.500 . 5.000 2.462 2.390 2.563 . 0 0 "[ . 1 . 2]" 2
240 1 56 TYR HA 1 57 SER H 2.500 . 2.900 2.442 2.400 2.471 . 0 0 "[ . 1 . 2]" 2
241 1 56 TYR H 1 93 ASN QD 2.500 . 3.500 3.524 3.332 3.597 0.097 7 0 "[ . 1 . 2]" 2
242 1 56 TYR QB 1 93 ASN QD 2.500 . 6.000 4.050 3.751 4.170 . 0 0 "[ . 1 . 2]" 2
243 1 56 TYR QB 1 114 SER H 2.500 . 5.000 3.524 3.368 3.615 . 0 0 "[ . 1 . 2]" 2
244 1 57 SER HA 1 58 VAL H 2.500 . 2.900 2.242 2.216 2.300 . 0 0 "[ . 1 . 2]" 2
245 1 57 SER H 1 58 VAL H 2.500 . 5.000 4.526 4.477 4.582 . 0 0 "[ . 1 . 2]" 2
246 1 57 SER H 1 113 CYS QB 2.500 . 6.000 4.400 4.096 4.606 . 0 0 "[ . 1 . 2]" 2
247 1 57 SER H 1 113 CYS HA 2.500 . 6.000 4.781 4.569 4.948 . 0 0 "[ . 1 . 2]" 2
248 1 57 SER QB 1 114 SER H 2.500 . 5.000 3.397 3.104 3.569 . 0 0 "[ . 1 . 2]" 2
249 1 57 SER H 1 115 LYS HA 2.500 . 6.000 4.159 3.842 4.318 . 0 0 "[ . 1 . 2]" 2
250 1 57 SER H 1 115 LYS QB 2.500 . 5.000 4.139 3.972 4.666 . 0 0 "[ . 1 . 2]" 2
251 1 58 VAL MG1 1 59 GLU H 2.500 . 5.500 4.243 4.222 4.272 . 0 0 "[ . 1 . 2]" 2
252 1 58 VAL HB 1 59 GLU H 2.500 . 6.000 3.531 3.410 3.662 . 0 0 "[ . 1 . 2]" 2
253 1 58 VAL H 1 59 GLU H 2.500 . 6.000 4.439 4.376 4.483 . 0 0 "[ . 1 . 2]" 2
254 1 58 VAL H 1 93 ASN QD 2.500 . 6.000 4.349 4.148 4.573 . 0 0 "[ . 1 . 2]" 2
255 1 58 VAL MG1 1 93 ASN QD 2.500 . 5.500 2.934 2.735 3.139 . 0 0 "[ . 1 . 2]" 2
256 1 58 VAL MG1 1 114 SER H 2.500 . 5.500 4.955 4.854 5.049 . 0 0 "[ . 1 . 2]" 2
257 1 58 VAL HA 1 114 SER H 2.500 . 5.000 3.741 3.588 3.956 . 0 0 "[ . 1 . 2]" 2
258 1 59 GLU H 1 111 CYS QB 2.500 . 6.000 5.107 4.934 5.243 . 0 0 "[ . 1 . 2]" 2
259 1 59 GLU H 1 112 VAL H 2.500 . 5.000 4.034 3.925 4.106 . 0 0 "[ . 1 . 2]" 2
260 1 60 PRO HA 1 62 ASP H 2.500 . 6.000 3.450 3.418 3.495 . 0 0 "[ . 1 . 2]" 2
261 1 60 PRO QB 1 62 ASP H 2.500 . 5.000 3.659 3.522 3.762 . 0 0 "[ . 1 . 2]" 2
262 1 61 HIS H 1 62 ASP H 2.500 . 5.000 2.131 2.102 2.187 . 0 0 "[ . 1 . 2]" 2
263 1 61 HIS HA 1 62 ASP H 2.500 . 5.000 3.454 3.442 3.470 . 0 0 "[ . 1 . 2]" 2
264 1 61 HIS QB 1 62 ASP H 2.500 . 5.000 2.877 2.812 2.912 . 0 0 "[ . 1 . 2]" 2
265 1 62 ASP HA 1 63 CYS H 2.500 . 6.000 2.831 2.691 2.881 . 0 0 "[ . 1 . 2]" 2
266 1 62 ASP H 1 63 CYS H 2.500 . 6.000 2.098 1.985 2.347 . 0 0 "[ . 1 . 2]" 2
267 1 63 CYS H 1 64 PHE H 2.500 . 6.000 4.419 4.334 4.460 . 0 0 "[ . 1 . 2]" 2
268 1 64 PHE H 1 65 VAL H 2.500 . 5.000 2.451 2.330 2.494 . 0 0 "[ . 1 . 2]" 2
269 1 64 PHE H 1 77 LEU QD 2.500 . 6.500 4.201 4.108 4.324 . 0 0 "[ . 1 . 2]" 2
270 1 64 PHE H 1 83 LEU QD 2.500 . 6.500 4.572 4.449 4.688 . 0 0 "[ . 1 . 2]" 2
271 1 65 VAL HA 1 66 SER H 2.500 . 5.000 3.567 3.562 3.576 . 0 0 "[ . 1 . 2]" 2
272 1 66 SER H 1 66 SER HA 2.500 . 5.000 2.961 2.913 2.980 . 0 0 "[ . 1 . 2]" 2
273 1 66 SER HA 1 77 LEU H 2.500 . 5.000 3.729 3.558 3.961 . 0 0 "[ . 1 . 2]" 2
274 1 66 SER HA 1 78 GLU H 2.500 . 6.000 5.692 5.428 6.033 0.033 1 0 "[ . 1 . 2]" 2
275 1 67 ALA H 1 68 PHE H 2.500 . 6.000 4.389 4.374 4.398 . 0 0 "[ . 1 . 2]" 2
276 1 67 ALA MB 1 68 PHE H 2.500 . 5.500 2.165 2.085 2.265 . 0 0 "[ . 1 . 2]" 2
277 1 67 ALA HA 1 68 PHE H 2.500 . 5.000 2.575 2.525 2.611 . 0 0 "[ . 1 . 2]" 2
278 1 69 ASN H 1 69 ASN QD 2.500 . 6.000 3.688 2.902 3.876 . 0 0 "[ . 1 . 2]" 2
279 1 69 ASN HA 1 71 SER H 2.500 . 6.000 4.194 4.125 4.241 . 0 0 "[ . 1 . 2]" 2
280 1 69 ASN QD 1 71 SER H 2.500 . 6.000 4.612 4.461 4.660 . 0 0 "[ . 1 . 2]" 2
281 1 69 ASN QB 1 71 SER H 2.500 . 6.000 2.462 2.372 2.501 . 0 0 "[ . 1 . 2]" 2
282 1 69 ASN H 1 73 LYS H 2.500 . 5.000 2.805 2.536 2.936 . 0 0 "[ . 1 . 2]" 2
283 1 70 LEU H 1 71 SER H 2.500 . 5.000 2.599 2.571 2.622 . 0 0 "[ . 1 . 2]" 2
284 1 70 LEU HA 1 71 SER H 2.500 . 5.000 3.443 3.404 3.473 . 0 0 "[ . 1 . 2]" 2
285 1 71 SER H 1 72 GLY H 2.500 . 3.500 2.370 2.279 2.428 . 0 0 "[ . 1 . 2]" 2
286 1 71 SER H 1 72 GLY QA 2.500 . 6.000 4.354 4.277 4.403 . 0 0 "[ . 1 . 2]" 2
287 1 71 SER QB 1 72 GLY H 2.500 . 6.000 3.398 3.203 3.786 . 0 0 "[ . 1 . 2]" 2
288 1 71 SER HA 1 72 GLY H 2.500 . 5.000 3.346 3.325 3.363 . 0 0 "[ . 1 . 2]" 2
289 1 71 SER H 1 73 LYS H 2.500 . 6.000 3.483 3.419 3.539 . 0 0 "[ . 1 . 2]" 2
290 1 72 GLY H 1 73 LYS H 2.500 . 5.000 2.384 2.343 2.414 . 0 0 "[ . 1 . 2]" 2
291 1 72 GLY QA 1 73 LYS H 2.500 . 5.000 2.885 2.861 2.904 . 0 0 "[ . 1 . 2]" 2
292 1 73 LYS QB 1 74 ASN H 2.500 . 5.000 3.021 2.924 3.085 . 0 0 "[ . 1 . 2]" 2
293 1 73 LYS QD 1 74 ASN H 2.500 . 6.000 4.347 3.168 5.488 . 0 0 "[ . 1 . 2]" 2
294 1 73 LYS H 1 74 ASN H 2.500 . 6.000 4.546 4.512 4.575 . 0 0 "[ . 1 . 2]" 2
295 1 74 ASN HA 1 75 GLU H 2.500 . 5.000 2.197 2.184 2.221 . 0 0 "[ . 1 . 2]" 2
296 1 76 ASN H 1 76 ASN QD 2.500 . 6.000 4.417 4.066 4.838 . 0 0 "[ . 1 . 2]" 2
297 1 76 ASN QB 1 78 GLU H 2.500 . 5.000 2.645 2.271 3.440 . 0 0 "[ . 1 . 2]" 2
298 1 76 ASN QD 1 79 ASN H 2.500 . 6.000 5.098 4.438 5.752 . 0 0 "[ . 1 . 2]" 2
299 1 77 LEU H 1 78 GLU H 2.500 . 5.000 2.391 2.226 2.474 . 0 0 "[ . 1 . 2]" 2
300 1 77 LEU HA 1 78 GLU H 2.500 . 5.000 3.278 3.201 3.439 . 0 0 "[ . 1 . 2]" 2
301 1 77 LEU QD 1 78 GLU H 2.500 . 6.500 4.406 4.307 4.469 . 0 0 "[ . 1 . 2]" 2
302 1 78 GLU HA 1 79 ASN H 2.500 . 5.000 3.563 3.546 3.582 . 0 0 "[ . 1 . 2]" 2
303 1 79 ASN H 1 80 LYS H 2.500 . 3.500 2.611 2.555 2.671 . 0 0 "[ . 1 . 2]" 2
304 1 80 LYS H 1 81 LEU H 2.500 . 3.500 2.482 2.074 2.726 . 0 0 "[ . 1 . 2]" 2
305 1 81 LEU QD 1 82 LYS H 2.500 . 5.500 2.563 2.133 2.888 . 0 0 "[ . 1 . 2]" 2
306 1 82 LYS H 1 83 LEU H 2.500 . 5.000 4.123 4.005 4.437 . 0 0 "[ . 1 . 2]" 2
307 1 82 LYS HA 1 83 LEU H 2.500 . 5.000 2.310 2.186 2.370 . 0 0 "[ . 1 . 2]" 2
308 1 83 LEU HA 1 84 THR H 2.500 . 3.500 2.277 2.185 2.415 . 0 0 "[ . 1 . 2]" 2
309 1 83 LEU QD 1 84 THR H 2.500 . 5.500 3.240 3.082 3.580 . 0 0 "[ . 1 . 2]" 2
310 1 83 LEU QB 1 84 THR H 2.500 . 5.000 2.850 2.472 3.189 . 0 0 "[ . 1 . 2]" 2
311 1 84 THR H 1 84 THR HA 2.500 . 5.000 3.001 2.992 3.016 . 0 0 "[ . 1 . 2]" 2
312 1 84 THR MG 1 85 ASN H 2.500 . 5.500 3.894 3.839 3.921 . 0 0 "[ . 1 . 2]" 2
313 1 84 THR HA 1 85 ASN H 2.500 . 3.500 2.411 2.326 2.459 . 0 0 "[ . 1 . 2]" 2
314 1 84 THR HB 1 85 ASN H 2.500 . 3.500 2.612 2.506 2.816 . 0 0 "[ . 1 . 2]" 2
315 1 84 THR H 1 85 ASN H 2.500 . 6.000 4.502 4.459 4.525 . 0 0 "[ . 1 . 2]" 2
316 1 85 ASN H 1 85 ASN QB 2.500 . 5.000 3.275 3.223 3.320 . 0 0 "[ . 1 . 2]" 2
317 1 85 ASN H 1 86 ILE H 2.500 . 5.000 2.895 2.876 2.917 . 0 0 "[ . 1 . 2]" 2
318 1 85 ASN QB 1 86 ILE H 2.500 . 6.000 3.903 3.897 3.908 . 0 0 "[ . 1 . 2]" 2
319 1 85 ASN HA 1 86 ILE H 2.500 . 3.500 2.707 2.683 2.725 . 0 0 "[ . 1 . 2]" 2
320 1 86 ILE HA 1 87 ILE H 2.500 . 5.000 2.193 2.183 2.200 . 0 0 "[ . 1 . 2]" 2
321 1 86 ILE H 1 87 ILE H 2.500 . 6.000 4.574 4.539 4.588 . 0 0 "[ . 1 . 2]" 2
322 1 86 ILE MG 1 96 TYR H 2.500 . 6.500 4.339 4.076 4.552 . 0 0 "[ . 1 . 2]" 2
323 1 87 ILE QG 1 88 MET H 2.500 . 5.000 4.807 4.695 4.888 . 0 0 "[ . 1 . 2]" 2
324 1 87 ILE HA 1 88 MET H 2.500 . 2.900 2.224 2.219 2.232 . 0 0 "[ . 1 . 2]" 2
325 1 87 ILE MG 1 88 MET H 2.500 . 5.500 2.881 2.750 3.029 . 0 0 "[ . 1 . 2]" 2
326 1 87 ILE H 1 88 MET H 2.500 . 6.000 4.317 4.304 4.334 . 0 0 "[ . 1 . 2]" 2
327 1 87 ILE MD 1 88 MET H 2.500 . 6.500 3.705 3.625 4.044 . 0 0 "[ . 1 . 2]" 2
328 1 87 ILE MG 1 89 ASP H 2.500 . 5.500 3.610 3.459 4.057 . 0 0 "[ . 1 . 2]" 2
329 1 87 ILE H 1 96 TYR QB 2.500 . 6.000 3.586 3.432 3.893 . 0 0 "[ . 1 . 2]" 2
330 1 87 ILE HB 1 96 TYR H 2.500 . 5.000 2.780 2.479 2.993 . 0 0 "[ . 1 . 2]" 2
331 1 87 ILE MG 1 96 TYR H 2.500 . 5.500 3.818 3.643 4.322 . 0 0 "[ . 1 . 2]" 2
332 1 88 MET H 1 89 ASP H 2.500 . 6.000 4.108 4.054 4.163 . 0 0 "[ . 1 . 2]" 2
333 1 88 MET QB 1 89 ASP H 2.500 . 6.000 3.588 3.523 3.648 . 0 0 "[ . 1 . 2]" 2
334 1 88 MET HA 1 89 ASP H 2.500 . 5.000 2.211 2.195 2.231 . 0 0 "[ . 1 . 2]" 2
335 1 88 MET QG 1 89 ASP H 2.500 . 5.000 4.359 4.267 4.463 . 0 0 "[ . 1 . 2]" 2
336 1 89 ASP HA 1 90 HIS H 2.500 . 2.900 2.247 2.240 2.256 . 0 0 "[ . 1 . 2]" 2
337 1 89 ASP H 1 90 HIS H 2.500 . 6.000 4.105 4.090 4.119 . 0 0 "[ . 1 . 2]" 2
338 1 89 ASP QB 1 94 THR H 2.500 . 5.000 2.758 2.616 2.948 . 0 0 "[ . 1 . 2]" 2
339 1 89 ASP H 1 95 PHE HA 2.500 . 5.000 3.349 3.169 3.448 . 0 0 "[ . 1 . 2]" 2
340 1 90 HIS HA 1 91 TYR H 2.500 . 3.500 3.547 3.531 3.555 0.055 5 0 "[ . 1 . 2]" 2
341 1 90 HIS QB 1 91 TYR H 2.500 . 6.000 2.705 2.653 2.791 . 0 0 "[ . 1 . 2]" 2
342 1 90 HIS HA 1 93 ASN H 2.500 . 5.000 3.140 3.111 3.173 . 0 0 "[ . 1 . 2]" 2
343 1 91 TYR H 1 92 ASN H 2.500 . 3.500 2.788 2.766 2.815 . 0 0 "[ . 1 . 2]" 2
344 1 91 TYR H 1 93 ASN H 2.500 . 5.000 3.649 3.628 3.675 . 0 0 "[ . 1 . 2]" 2
345 1 92 ASN H 1 92 ASN QD 2.500 . 5.000 3.882 3.491 3.958 . 0 0 "[ . 1 . 2]" 2
346 1 93 ASN QB 1 93 ASN QD 2.500 . 5.000 2.286 2.273 2.296 . 0 0 "[ . 1 . 2]" 2
347 1 93 ASN H 1 94 THR H 2.500 . 5.000 2.911 2.869 2.951 . 0 0 "[ . 1 . 2]" 2
348 1 95 PHE H 1 95 PHE QD 2.500 . 5.000 2.552 2.234 2.744 . 0 0 "[ . 1 . 2]" 2
349 1 95 PHE H 1 96 TYR H 2.500 . 6.000 4.449 4.435 4.455 . 0 0 "[ . 1 . 2]" 2
350 1 96 TYR QB 1 97 SER H 2.500 . 5.000 2.838 2.793 2.864 . 0 0 "[ . 1 . 2]" 2
351 1 96 TYR HA 1 97 SER H 2.500 . 2.900 2.298 2.292 2.310 . 0 0 "[ . 1 . 2]" 2
352 1 97 SER HA 1 98 ARG H 2.500 . 3.500 2.347 2.280 2.406 . 0 0 "[ . 1 . 2]" 2
353 1 97 SER QB 1 98 ARG H 2.500 . 5.000 3.036 2.572 3.616 . 0 0 "[ . 1 . 2]" 2
354 1 98 ARG H 1 98 ARG QB 2.500 . 5.000 2.425 2.298 2.644 . 0 0 "[ . 1 . 2]" 2
355 1 98 ARG HA 1 99 LEU H 2.500 . 2.900 2.205 2.163 2.233 . 0 0 "[ . 1 . 2]" 2
356 1 98 ARG QG 1 99 LEU H 2.500 . 5.000 4.045 3.651 4.768 . 0 0 "[ . 1 . 2]" 2
357 1 98 ARG QD 1 99 LEU H 2.500 . 6.000 4.810 3.146 5.512 . 0 0 "[ . 1 . 2]" 2
358 1 99 LEU H 1 100 PRO QD 2.500 . 6.000 4.423 4.393 4.454 . 0 0 "[ . 1 . 2]" 2
359 1 100 PRO QG 1 101 SER H 2.500 . 6.000 4.399 4.258 4.561 . 0 0 "[ . 1 . 2]" 2
360 1 100 PRO QB 1 101 SER H 2.500 . 5.000 2.658 2.435 2.936 . 0 0 "[ . 1 . 2]" 2
361 1 100 PRO HA 1 101 SER H 2.500 . 2.900 2.496 2.342 2.634 . 0 0 "[ . 1 . 2]" 2
362 1 100 PRO QB 1 102 LEU H 2.500 . 3.500 2.442 2.276 3.072 . 0 0 "[ . 1 . 2]" 2
363 1 100 PRO QG 1 102 LEU H 2.500 . 5.000 4.436 4.278 5.046 0.046 19 0 "[ . 1 . 2]" 2
364 1 100 PRO HA 1 102 LEU H 2.500 . 5.000 4.110 3.937 4.398 . 0 0 "[ . 1 . 2]" 2
365 1 101 SER H 1 102 LEU H 2.500 . 3.500 2.471 2.322 2.724 . 0 0 "[ . 1 . 2]" 2
366 1 101 SER HA 1 102 LEU H 2.500 . 5.000 3.424 3.376 3.569 . 0 0 "[ . 1 . 2]" 2
367 1 101 SER QB 1 102 LEU H 2.500 . 5.000 3.256 2.485 3.793 . 0 0 "[ . 1 . 2]" 2
368 1 102 LEU H 1 102 LEU QD 2.500 . 5.500 3.920 3.813 3.963 . 0 0 "[ . 1 . 2]" 2
369 1 102 LEU QB 1 103 ILE H 2.500 . 5.000 3.766 3.752 3.795 . 0 0 "[ . 1 . 2]" 2
370 1 102 LEU QD 1 103 ILE H 2.500 . 5.500 2.090 1.943 2.428 . 0 0 "[ . 1 . 2]" 2
371 1 102 LEU HA 1 103 ILE H 2.500 . 2.900 2.199 2.195 2.204 . 0 0 "[ . 1 . 2]" 2
372 1 102 LEU H 1 103 ILE H 2.500 . 6.000 4.374 4.315 4.476 . 0 0 "[ . 1 . 2]" 2
373 1 102 LEU QD 1 105 ASP H 2.500 . 6.500 5.573 5.327 6.056 . 0 0 "[ . 1 . 2]" 2
374 1 103 ILE MG 1 104 SER H 2.500 . 6.500 3.108 2.715 3.288 . 0 0 "[ . 1 . 2]" 2
375 1 103 ILE HB 1 104 SER H 2.500 . 6.000 4.407 4.150 4.494 . 0 0 "[ . 1 . 2]" 2
376 1 103 ILE MG 1 105 ASP H 2.500 . 5.500 2.516 2.148 2.817 . 0 0 "[ . 1 . 2]" 2
377 1 103 ILE HA 1 107 TRP HE1 2.500 . 6.000 4.781 4.475 5.330 . 0 0 "[ . 1 . 2]" 2
378 1 104 SER H 1 105 ASP H 2.500 . 5.000 2.340 2.028 3.211 . 0 0 "[ . 1 . 2]" 2
379 1 104 SER QB 1 105 ASP H 2.500 . 5.000 3.739 3.252 4.041 . 0 0 "[ . 1 . 2]" 2
380 1 104 SER H 1 107 TRP HE1 2.500 . 6.000 5.627 5.144 5.803 . 0 0 "[ . 1 . 2]" 2
381 1 105 ASP H 1 106 ASN H 2.500 . 5.000 4.587 4.404 4.649 . 0 0 "[ . 1 . 2]" 2
382 1 105 ASP H 1 107 TRP HE1 2.500 . 6.000 4.357 4.082 4.711 . 0 0 "[ . 1 . 2]" 2
383 1 106 ASN H 1 107 TRP H 2.500 . 5.000 2.865 2.798 2.968 . 0 0 "[ . 1 . 2]" 2
384 1 106 ASN HA 1 107 TRP H 2.500 . 3.500 2.938 2.922 2.955 . 0 0 "[ . 1 . 2]" 2
385 1 107 TRP H 1 107 TRP HE1 2.500 . 6.000 4.105 3.973 4.230 . 0 0 "[ . 1 . 2]" 2
386 1 107 TRP QB 1 127 ALA H 2.500 . 6.000 5.088 5.009 5.176 . 0 0 "[ . 1 . 2]" 2
387 1 108 LYS QD 1 109 PHE H 2.500 . 6.000 4.516 2.804 5.151 . 0 0 "[ . 1 . 2]" 2
388 1 108 LYS HA 1 109 PHE H 2.500 . 3.500 2.371 2.325 2.428 . 0 0 "[ . 1 . 2]" 2
389 1 108 LYS H 1 109 PHE H 2.500 . 6.000 4.441 4.408 4.477 . 0 0 "[ . 1 . 2]" 2
390 1 108 LYS HA 1 127 ALA H 2.500 . 5.000 3.373 3.096 3.565 . 0 0 "[ . 1 . 2]" 2
391 1 109 PHE HA 1 110 PHE H 2.500 . 6.000 2.455 2.415 2.484 . 0 0 "[ . 1 . 2]" 2
392 1 109 PHE QE 1 111 CYS H 2.500 . 6.000 5.100 4.773 5.313 . 0 0 "[ . 1 . 2]" 2
393 1 109 PHE H 1 125 VAL H 2.500 . 5.000 3.118 2.997 3.238 . 0 0 "[ . 1 . 2]" 2
394 1 109 PHE H 1 125 VAL QG 2.500 . 6.500 3.065 2.905 3.186 . 0 0 "[ . 1 . 2]" 2
395 1 109 PHE H 1 126 GLU HA 2.500 . 5.000 3.772 3.639 3.840 . 0 0 "[ . 1 . 2]" 2
396 1 110 PHE QB 1 111 CYS H 2.500 . 5.000 2.507 2.406 2.587 . 0 0 "[ . 1 . 2]" 2
397 1 110 PHE HA 1 111 CYS H 2.500 . 3.500 2.343 2.300 2.379 . 0 0 "[ . 1 . 2]" 2
398 1 110 PHE QB 1 125 VAL H 2.500 . 6.000 3.695 3.600 3.737 . 0 0 "[ . 1 . 2]" 2
399 1 110 PHE HA 1 125 VAL H 2.500 . 6.000 3.604 3.452 3.673 . 0 0 "[ . 1 . 2]" 2
400 1 111 CYS HA 1 112 VAL H 2.500 . 5.000 2.408 2.392 2.434 . 0 0 "[ . 1 . 2]" 2
401 1 111 CYS H 1 112 VAL QG 2.500 . 6.500 4.130 4.059 4.218 . 0 0 "[ . 1 . 2]" 2
402 1 111 CYS H 1 122 VAL HA 2.500 . 6.000 4.789 4.658 4.950 . 0 0 "[ . 1 . 2]" 2
403 1 111 CYS H 1 122 VAL MG1 2.500 . 5.500 3.832 3.721 3.926 . 0 0 "[ . 1 . 2]" 2
404 1 111 CYS H 1 123 PHE H 2.500 . 5.000 2.925 2.826 3.050 . 0 0 "[ . 1 . 2]" 2
405 1 111 CYS H 1 123 PHE QB 2.500 . 5.000 2.588 2.438 2.742 . 0 0 "[ . 1 . 2]" 2
406 1 111 CYS H 1 124 THR HA 2.500 . 5.000 3.773 3.646 3.845 . 0 0 "[ . 1 . 2]" 2
407 1 112 VAL QG 1 113 CYS H 2.500 . 5.500 2.166 2.040 2.271 . 0 0 "[ . 1 . 2]" 2
408 1 112 VAL HA 1 113 CYS H 2.500 . 2.900 2.182 2.162 2.257 . 0 0 "[ . 1 . 2]" 2
409 1 112 VAL HB 1 113 CYS H 2.500 . 5.000 4.105 3.931 4.162 . 0 0 "[ . 1 . 2]" 2
410 1 112 VAL QG 1 121 LEU H 2.500 . 5.500 3.049 2.893 3.312 . 0 0 "[ . 1 . 2]" 2
411 1 112 VAL QG 1 123 PHE H 2.500 . 6.500 3.349 3.267 3.527 . 0 0 "[ . 1 . 2]" 2
412 1 113 CYS H 1 114 SER H 2.500 . 6.000 4.388 4.372 4.402 . 0 0 "[ . 1 . 2]" 2
413 1 113 CYS HA 1 114 SER H 2.500 . 2.900 2.300 2.296 2.306 . 0 0 "[ . 1 . 2]" 2
414 1 113 CYS QB 1 114 SER H 2.500 . 5.000 3.218 3.170 3.262 . 0 0 "[ . 1 . 2]" 2
415 1 113 CYS H 1 121 LEU H 2.500 . 5.000 3.172 2.957 3.418 . 0 0 "[ . 1 . 2]" 2
416 1 113 CYS H 1 121 LEU QB 2.500 . 5.000 2.883 2.778 3.021 . 0 0 "[ . 1 . 2]" 2
417 1 113 CYS H 1 122 VAL MG2 2.500 . 6.500 4.413 4.258 4.531 . 0 0 "[ . 1 . 2]" 2
418 1 113 CYS H 1 122 VAL HA 2.500 . 5.000 3.772 3.551 3.873 . 0 0 "[ . 1 . 2]" 2
419 1 113 CYS H 1 123 PHE H 2.500 . 6.000 4.767 4.537 4.946 . 0 0 "[ . 1 . 2]" 2
420 1 114 SER HA 1 115 LYS H 2.500 . 2.900 2.515 2.443 2.536 . 0 0 "[ . 1 . 2]" 2
421 1 114 SER QB 1 115 LYS H 2.500 . 5.000 2.134 2.062 2.273 . 0 0 "[ . 1 . 2]" 2
422 1 114 SER H 1 115 LYS H 2.500 . 6.000 4.404 4.397 4.416 . 0 0 "[ . 1 . 2]" 2
423 1 115 LYS QD 1 116 ASP H 2.500 . 5.000 4.239 4.117 5.091 0.091 8 0 "[ . 1 . 2]" 2
424 1 115 LYS HA 1 116 ASP H 2.500 . 2.900 2.480 2.416 2.511 . 0 0 "[ . 1 . 2]" 2
425 1 115 LYS H 1 118 GLU H 2.500 . 6.000 4.692 4.466 4.829 . 0 0 "[ . 1 . 2]" 2
426 1 116 ASP H 1 116 ASP QB 2.500 . 4.000 2.403 2.303 2.518 . 0 0 "[ . 1 . 2]" 2
427 1 116 ASP H 1 117 ASN H 2.500 . 5.000 4.696 4.688 4.702 . 0 0 "[ . 1 . 2]" 2
428 1 116 ASP HA 1 117 ASN H 2.500 . 2.900 2.331 2.292 2.359 . 0 0 "[ . 1 . 2]" 2
429 1 116 ASP QB 1 117 ASN H 2.500 . 2.900 2.771 2.709 2.978 0.078 8 0 "[ . 1 . 2]" 2
430 1 117 ASN H 1 117 ASN HA 2.500 . 2.900 2.369 2.350 2.381 . 0 0 "[ . 1 . 2]" 2
431 1 117 ASN H 1 118 GLU H 2.500 . 3.500 3.189 3.131 3.231 . 0 0 "[ . 1 . 2]" 2
432 1 117 ASN H 1 118 GLU QG 2.500 . 6.000 4.753 4.633 4.792 . 0 0 "[ . 1 . 2]" 2
433 1 118 GLU H 1 119 LYS H 2.500 . 5.000 4.278 4.243 4.316 . 0 0 "[ . 1 . 2]" 2
434 1 118 GLU QB 1 119 LYS H 2.500 . 5.000 2.953 2.825 3.102 . 0 0 "[ . 1 . 2]" 2
435 1 118 GLU QG 1 119 LYS H 2.500 . 5.000 4.011 3.799 4.473 . 0 0 "[ . 1 . 2]" 2
436 1 118 GLU HA 1 119 LYS H 2.500 . 3.500 2.267 2.231 2.298 . 0 0 "[ . 1 . 2]" 2
437 1 119 LYS H 1 119 LYS QE 2.500 . 5.000 4.399 3.387 4.937 . 0 0 "[ . 1 . 2]" 2
438 1 119 LYS HA 1 120 LYS H 2.500 . 2.900 2.257 2.216 2.310 . 0 0 "[ . 1 . 2]" 2
439 1 120 LYS H 1 121 LEU H 2.500 . 6.000 4.615 4.568 4.639 . 0 0 "[ . 1 . 2]" 2
440 1 120 LYS HA 1 121 LEU H 2.500 . 2.900 2.239 2.218 2.266 . 0 0 "[ . 1 . 2]" 2
441 1 121 LEU H 1 122 VAL H 2.500 . 6.000 4.402 4.378 4.420 . 0 0 "[ . 1 . 2]" 2
442 1 121 LEU QD 1 122 VAL H 2.500 . 5.500 3.707 3.601 3.805 . 0 0 "[ . 1 . 2]" 2
443 1 121 LEU HA 1 122 VAL H 2.500 . 2.900 2.228 2.220 2.236 . 0 0 "[ . 1 . 2]" 2
444 1 121 LEU QB 1 122 VAL H 2.500 . 5.000 3.352 3.305 3.401 . 0 0 "[ . 1 . 2]" 2
445 1 121 LEU H 1 122 VAL MG2 2.500 . 6.500 4.234 4.188 4.286 . 0 0 "[ . 1 . 2]" 2
446 1 122 VAL HA 1 123 PHE H 2.500 . 2.900 2.173 2.167 2.184 . 0 0 "[ . 1 . 2]" 2
447 1 122 VAL MG1 1 123 PHE H 2.500 . 5.500 2.497 2.405 2.607 . 0 0 "[ . 1 . 2]" 2
448 1 122 VAL HB 1 123 PHE H 2.500 . 6.000 4.253 4.128 4.283 . 0 0 "[ . 1 . 2]" 2
449 1 122 VAL MG1 1 124 THR H 2.500 . 5.500 3.782 3.702 3.981 . 0 0 "[ . 1 . 2]" 2
450 1 123 PHE HA 1 124 THR H 2.500 . 2.900 2.247 2.240 2.255 . 0 0 "[ . 1 . 2]" 2
451 1 123 PHE QB 1 124 THR H 2.500 . 5.000 3.897 3.869 3.923 . 0 0 "[ . 1 . 2]" 2
452 1 123 PHE H 1 124 THR H 2.500 . 6.000 4.375 4.355 4.390 . 0 0 "[ . 1 . 2]" 2
453 1 124 THR MG 1 125 VAL H 2.500 . 5.500 3.565 3.508 3.661 . 0 0 "[ . 1 . 2]" 2
454 1 124 THR HA 1 125 VAL H 2.500 . 3.500 2.197 2.182 2.219 . 0 0 "[ . 1 . 2]" 2
455 1 125 VAL QG 1 126 GLU H 2.500 . 5.500 3.107 3.048 3.176 . 0 0 "[ . 1 . 2]" 2
456 1 125 VAL HA 1 126 GLU H 2.500 . 2.900 2.411 2.375 2.434 . 0 0 "[ . 1 . 2]" 2
457 1 126 GLU HA 1 127 ALA H 2.500 . 2.900 2.300 2.235 2.364 . 0 0 "[ . 1 . 2]" 2
458 1 126 GLU QB 1 127 ALA H 2.500 . 5.000 3.090 2.627 3.614 . 0 0 "[ . 1 . 2]" 2
459 1 126 GLU QG 1 127 ALA H 2.500 . 5.000 3.065 2.032 3.942 . 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 66
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 26.692
_Distance_constraint_stats_list.Viol_max 0.120
_Distance_constraint_stats_list.Viol_rms 0.0086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0607
_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 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.013 0.013 3 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 TRP 1.305 0.120 6 0 "[ . 1 . 2]"
1 109 PHE 0.017 0.013 2 0 "[ . 1 . 2]"
1 111 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 THR 0.013 0.013 3 0 "[ . 1 . 2]"
1 125 VAL 0.017 0.013 2 0 "[ . 1 . 2]"
1 126 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ALA 1.305 0.120 6 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 3 VAL H 1 15 ILE O 2.300 . 2.500 1.977 1.702 2.243 . 0 0 "[ . 1 . 2]" 3
2 1 3 VAL N 1 15 ILE O 3.300 2.300 3.500 2.890 2.646 3.128 . 0 0 "[ . 1 . 2]" 3
3 1 3 VAL O 1 17 SER H 2.300 . 2.500 2.172 1.806 2.296 . 0 0 "[ . 1 . 2]" 3
4 1 3 VAL O 1 17 SER N 3.300 2.300 3.500 3.091 2.674 3.219 . 0 0 "[ . 1 . 2]" 3
5 1 4 LYS H 1 47 LEU O 2.300 . 2.500 2.276 2.188 2.317 . 0 0 "[ . 1 . 2]" 3
6 1 4 LYS N 1 47 LEU O 3.300 2.300 3.500 3.025 2.972 3.111 . 0 0 "[ . 1 . 2]" 3
7 1 4 LYS O 1 49 GLY H 2.300 . 2.500 2.302 2.249 2.446 . 0 0 "[ . 1 . 2]" 3
8 1 4 LYS O 1 49 GLY N 3.300 2.300 3.500 3.132 3.079 3.289 . 0 0 "[ . 1 . 2]" 3
9 1 6 CYS O 1 51 LYS H 2.300 . 2.500 2.310 2.276 2.376 . 0 0 "[ . 1 . 2]" 3
10 1 6 CYS O 1 51 LYS N 3.300 2.300 3.500 3.283 3.237 3.352 . 0 0 "[ . 1 . 2]" 3
11 1 8 PHE H 1 51 LYS O 2.300 . 2.500 2.272 2.112 2.307 . 0 0 "[ . 1 . 2]" 3
12 1 8 PHE N 1 51 LYS O 3.300 2.300 3.500 3.244 3.070 3.287 . 0 0 "[ . 1 . 2]" 3
13 1 36 ILE H 1 120 LYS O 2.300 . 2.500 2.260 2.054 2.494 . 0 0 "[ . 1 . 2]" 3
14 1 36 ILE N 1 120 LYS O 3.300 2.300 3.500 3.233 3.025 3.475 . 0 0 "[ . 1 . 2]" 3
15 1 36 ILE O 1 122 VAL H 2.300 . 2.500 1.607 1.556 1.719 . 0 0 "[ . 1 . 2]" 3
16 1 36 ILE O 1 122 VAL N 3.300 2.300 3.500 2.526 2.414 2.663 . 0 0 "[ . 1 . 2]" 3
17 1 38 CYS H 1 122 VAL O 2.300 . 2.500 2.104 2.007 2.237 . 0 0 "[ . 1 . 2]" 3
18 1 38 CYS N 1 122 VAL O 3.300 2.300 3.500 2.979 2.897 3.061 . 0 0 "[ . 1 . 2]" 3
19 1 38 CYS O 1 124 THR H 2.300 . 2.500 2.176 2.036 2.300 . 0 0 "[ . 1 . 2]" 3
20 1 38 CYS O 1 124 THR N 3.300 2.300 3.500 3.053 2.941 3.168 . 0 0 "[ . 1 . 2]" 3
21 1 40 VAL H 1 124 THR O 2.300 . 2.500 2.441 2.349 2.513 0.013 3 0 "[ . 1 . 2]" 3
22 1 40 VAL N 1 124 THR O 3.300 2.300 3.500 3.297 3.212 3.353 . 0 0 "[ . 1 . 2]" 3
23 1 40 VAL O 1 126 GLU H 2.300 . 2.500 2.286 2.259 2.316 . 0 0 "[ . 1 . 2]" 3
24 1 40 VAL O 1 126 GLU N 3.300 2.300 3.500 3.181 3.154 3.230 . 0 0 "[ . 1 . 2]" 3
25 1 42 ALA H 1 126 GLU O 2.300 . 2.500 2.204 2.020 2.295 . 0 0 "[ . 1 . 2]" 3
26 1 42 ALA N 1 126 GLU O 3.300 2.300 3.500 3.172 2.979 3.269 . 0 0 "[ . 1 . 2]" 3
27 1 107 TRP H 1 127 ALA O 2.300 . 2.500 2.564 2.480 2.620 0.120 6 0 "[ . 1 . 2]" 3
28 1 107 TRP N 1 127 ALA O 3.300 2.300 3.500 2.762 2.662 2.826 . 0 0 "[ . 1 . 2]" 3
29 1 107 TRP O 1 127 ALA H 2.300 . 2.500 2.064 1.883 2.181 . 0 0 "[ . 1 . 2]" 3
30 1 107 TRP O 1 127 ALA N 3.300 2.300 3.500 2.993 2.826 3.098 . 0 0 "[ . 1 . 2]" 3
31 1 109 PHE H 1 125 VAL O 2.300 . 2.500 2.417 2.328 2.513 0.013 2 0 "[ . 1 . 2]" 3
32 1 109 PHE N 1 125 VAL O 3.300 2.300 3.500 3.370 3.259 3.480 . 0 0 "[ . 1 . 2]" 3
33 1 109 PHE O 1 125 VAL H 2.300 . 2.500 2.260 2.206 2.298 . 0 0 "[ . 1 . 2]" 3
34 1 109 PHE O 1 125 VAL N 3.300 2.300 3.500 3.222 3.164 3.261 . 0 0 "[ . 1 . 2]" 3
35 1 111 CYS H 1 123 PHE O 2.300 . 2.500 1.898 1.783 1.971 . 0 0 "[ . 1 . 2]" 3
36 1 111 CYS N 1 123 PHE O 3.300 2.300 3.500 2.778 2.674 2.835 . 0 0 "[ . 1 . 2]" 3
37 1 111 CYS O 1 123 PHE H 2.300 . 2.500 1.785 1.688 1.867 . 0 0 "[ . 1 . 2]" 3
38 1 111 CYS O 1 123 PHE N 3.300 2.300 3.500 2.752 2.645 2.841 . 0 0 "[ . 1 . 2]" 3
39 1 113 CYS H 1 121 LEU O 2.300 . 2.500 2.017 1.930 2.071 . 0 0 "[ . 1 . 2]" 3
40 1 113 CYS N 1 121 LEU O 3.300 2.300 3.500 2.973 2.902 3.026 . 0 0 "[ . 1 . 2]" 3
41 1 113 CYS O 1 121 LEU H 2.300 . 2.500 2.028 1.891 2.108 . 0 0 "[ . 1 . 2]" 3
42 1 113 CYS O 1 121 LEU N 3.300 2.300 3.500 2.974 2.852 3.054 . 0 0 "[ . 1 . 2]" 3
43 1 59 GLU O 1 112 VAL H 2.300 . 2.500 2.218 2.113 2.285 . 0 0 "[ . 1 . 2]" 3
44 1 59 GLU O 1 112 VAL N 3.300 2.300 3.500 3.033 2.926 3.123 . 0 0 "[ . 1 . 2]" 3
45 1 59 GLU H 1 112 VAL O 2.300 . 2.500 1.906 1.747 2.057 . 0 0 "[ . 1 . 2]" 3
46 1 59 GLU N 1 112 VAL O 3.300 2.300 3.500 2.807 2.642 2.964 . 0 0 "[ . 1 . 2]" 3
47 1 57 SER O 1 114 SER H 2.300 . 2.500 2.001 1.838 2.289 . 0 0 "[ . 1 . 2]" 3
48 1 57 SER O 1 114 SER N 3.300 2.300 3.500 2.922 2.748 3.234 . 0 0 "[ . 1 . 2]" 3
49 1 57 SER H 1 114 SER O 2.300 . 2.500 2.365 2.293 2.438 . 0 0 "[ . 1 . 2]" 3
50 1 57 SER N 1 114 SER O 3.300 2.300 3.500 3.211 3.102 3.279 . 0 0 "[ . 1 . 2]" 3
51 1 48 ILE H 1 97 SER O 2.300 . 2.500 2.317 2.290 2.403 . 0 0 "[ . 1 . 2]" 3
52 1 48 ILE N 1 97 SER O 3.300 2.300 3.500 3.283 3.244 3.366 . 0 0 "[ . 1 . 2]" 3
53 1 48 ILE O 1 97 SER H 2.300 . 2.500 1.979 1.872 2.102 . 0 0 "[ . 1 . 2]" 3
54 1 48 ILE O 1 97 SER N 3.300 2.300 3.500 2.867 2.781 2.969 . 0 0 "[ . 1 . 2]" 3
55 1 50 PHE H 1 95 PHE O 2.300 . 2.500 2.215 2.075 2.296 . 0 0 "[ . 1 . 2]" 3
56 1 50 PHE N 1 95 PHE O 3.300 2.300 3.500 3.040 2.970 3.098 . 0 0 "[ . 1 . 2]" 3
57 1 50 PHE O 1 95 PHE H 2.300 . 2.500 2.164 2.082 2.242 . 0 0 "[ . 1 . 2]" 3
58 1 50 PHE O 1 95 PHE N 3.300 2.300 3.500 3.090 3.024 3.142 . 0 0 "[ . 1 . 2]" 3
59 1 87 ILE H 1 96 TYR O 2.300 . 2.500 2.159 1.935 2.301 . 0 0 "[ . 1 . 2]" 3
60 1 87 ILE N 1 96 TYR O 3.300 2.300 3.500 3.118 2.847 3.274 . 0 0 "[ . 1 . 2]" 3
61 1 87 ILE O 1 96 TYR H 2.300 . 2.500 2.281 2.230 2.321 . 0 0 "[ . 1 . 2]" 3
62 1 87 ILE O 1 96 TYR N 3.300 2.300 3.500 3.238 3.182 3.275 . 0 0 "[ . 1 . 2]" 3
63 1 89 ASP H 1 94 THR O 2.300 . 2.500 2.282 2.233 2.309 . 0 0 "[ . 1 . 2]" 3
64 1 89 ASP N 1 94 THR O 3.300 2.300 3.500 3.225 3.180 3.253 . 0 0 "[ . 1 . 2]" 3
65 1 89 ASP O 1 94 THR H 2.300 . 2.500 2.159 2.075 2.202 . 0 0 "[ . 1 . 2]" 3
66 1 89 ASP O 1 94 THR N 3.300 2.300 3.500 3.065 2.995 3.107 . 0 0 "[ . 1 . 2]" 3
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