NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
371329 |
1cey   |
2950 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cey
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 798
_Distance_constraint_stats_list.Viol_count 4380
_Distance_constraint_stats_list.Viol_total 15342.601
_Distance_constraint_stats_list.Viol_max 0.458
_Distance_constraint_stats_list.Viol_rms 0.0343
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0761
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 3 LYS 7.135 0.177 28 0 "[ . 1 . 2 . 3 . 4 . ]"
1 4 GLU 0.365 0.095 10 0 "[ . 1 . 2 . 3 . 4 . ]"
1 5 LEU 18.220 0.221 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 6 LYS 6.160 0.294 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 7 PHE 11.684 0.233 30 0 "[ . 1 . 2 . 3 . 4 . ]"
1 8 LEU 7.442 0.242 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 9 VAL 6.966 0.154 40 0 "[ . 1 . 2 . 3 . 4 . ]"
1 10 VAL 14.402 0.268 37 0 "[ . 1 . 2 . 3 . 4 . ]"
1 11 ASP 0.010 0.006 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 13 PHE 0.273 0.231 4 0 "[ . 1 . 2 . 3 . 4 . ]"
1 15 THR 1.100 0.168 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 16 MET 0.157 0.056 44 0 "[ . 1 . 2 . 3 . 4 . ]"
1 17 ARG 8.082 0.416 19 0 "[ . 1 . 2 . 3 . 4 . ]"
1 18 ARG 9.962 0.416 19 0 "[ . 1 . 2 . 3 . 4 . ]"
1 19 ILE 0.052 0.016 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 20 VAL 9.109 0.206 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 21 ARG 4.667 0.101 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 22 ASN 29.720 0.337 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 23 LEU 21.026 0.276 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 24 LEU 3.165 0.101 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 25 LYS 7.713 0.167 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 26 GLU 10.268 0.177 35 0 "[ . 1 . 2 . 3 . 4 . ]"
1 27 LEU 4.924 0.101 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 28 GLY 14.382 0.255 22 0 "[ . 1 . 2 . 3 . 4 . ]"
1 29 PHE 11.122 0.192 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 30 ASN 3.293 0.215 19 0 "[ . 1 . 2 . 3 . 4 . ]"
1 31 ASN 1.965 0.272 10 0 "[ . 1 . 2 . 3 . 4 . ]"
1 32 VAL 0.059 0.030 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 33 GLU 5.547 0.176 28 0 "[ . 1 . 2 . 3 . 4 . ]"
1 34 GLU 2.065 0.101 24 0 "[ . 1 . 2 . 3 . 4 . ]"
1 35 ALA 5.830 0.120 26 0 "[ . 1 . 2 . 3 . 4 . ]"
1 36 GLU 2.438 0.120 26 0 "[ . 1 . 2 . 3 . 4 . ]"
1 37 ASP 3.035 0.162 19 0 "[ . 1 . 2 . 3 . 4 . ]"
1 38 GLY 2.393 0.213 17 0 "[ . 1 . 2 . 3 . 4 . ]"
1 39 VAL 2.305 0.090 20 0 "[ . 1 . 2 . 3 . 4 . ]"
1 40 ASP 10.557 0.162 19 0 "[ . 1 . 2 . 3 . 4 . ]"
1 41 ALA 3.239 0.125 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 43 ASN 2.008 0.090 20 0 "[ . 1 . 2 . 3 . 4 . ]"
1 44 LYS 1.917 0.078 14 0 "[ . 1 . 2 . 3 . 4 . ]"
1 45 LEU 0.442 0.086 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 46 GLN 0.554 0.088 26 0 "[ . 1 . 2 . 3 . 4 . ]"
1 47 ALA 3.658 0.150 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 48 GLY 0.446 0.086 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 49 GLY 1.475 0.067 46 0 "[ . 1 . 2 . 3 . 4 . ]"
1 50 TYR 4.785 0.113 35 0 "[ . 1 . 2 . 3 . 4 . ]"
1 51 GLY 3.993 0.294 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 52 PHE 14.180 0.242 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 53 VAL 6.536 0.212 32 0 "[ . 1 . 2 . 3 . 4 . ]"
1 54 ILE 6.435 0.255 3 0 "[ . 1 . 2 . 3 . 4 . ]"
1 55 SER 0.426 0.098 18 0 "[ . 1 . 2 . 3 . 4 . ]"
1 56 ASP 1.700 0.135 10 0 "[ . 1 . 2 . 3 . 4 . ]"
1 57 TRP 4.613 0.162 18 0 "[ . 1 . 2 . 3 . 4 . ]"
1 58 ASN 1.084 0.194 30 0 "[ . 1 . 2 . 3 . 4 . ]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 63 ASP 1.108 0.194 30 0 "[ . 1 . 2 . 3 . 4 . ]"
1 64 GLY 2.845 0.162 18 0 "[ . 1 . 2 . 3 . 4 . ]"
1 65 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 66 GLU 0.486 0.094 35 0 "[ . 1 . 2 . 3 . 4 . ]"
1 67 LEU 4.411 0.213 17 0 "[ . 1 . 2 . 3 . 4 . ]"
1 68 LEU 3.949 0.247 20 0 "[ . 1 . 2 . 3 . 4 . ]"
1 69 LYS 0.215 0.046 29 0 "[ . 1 . 2 . 3 . 4 . ]"
1 70 THR 0.114 0.039 14 0 "[ . 1 . 2 . 3 . 4 . ]"
1 71 ILE 0.375 0.059 40 0 "[ . 1 . 2 . 3 . 4 . ]"
1 72 ARG 0.248 0.046 29 0 "[ . 1 . 2 . 3 . 4 . ]"
1 73 ALA 0.535 0.065 28 0 "[ . 1 . 2 . 3 . 4 . ]"
1 74 ASP 0.507 0.065 28 0 "[ . 1 . 2 . 3 . 4 . ]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 77 MET 1.593 0.124 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 78 SER 0.986 0.077 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 79 ALA 1.339 0.130 30 0 "[ . 1 . 2 . 3 . 4 . ]"
1 80 LEU 7.086 0.458 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 81 PRO 4.778 0.212 32 0 "[ . 1 . 2 . 3 . 4 . ]"
1 82 VAL 7.095 0.285 4 0 "[ . 1 . 2 . 3 . 4 . ]"
1 83 LEU 7.573 0.255 3 0 "[ . 1 . 2 . 3 . 4 . ]"
1 84 MET 5.875 0.229 24 0 "[ . 1 . 2 . 3 . 4 . ]"
1 85 VAL 4.573 0.235 22 0 "[ . 1 . 2 . 3 . 4 . ]"
1 86 THR 5.725 0.211 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 87 ALA 0.418 0.069 18 0 "[ . 1 . 2 . 3 . 4 . ]"
1 89 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 90 LYS 0.807 0.112 23 0 "[ . 1 . 2 . 3 . 4 . ]"
1 91 LYS 0.082 0.065 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 92 GLU 5.352 0.221 21 0 "[ . 1 . 2 . 3 . 4 . ]"
1 93 ASN 3.797 0.129 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 94 ILE 1.469 0.075 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 95 ILE 3.080 0.113 34 0 "[ . 1 . 2 . 3 . 4 . ]"
1 96 ALA 5.329 0.089 27 0 "[ . 1 . 2 . 3 . 4 . ]"
1 97 ALA 3.508 0.089 27 0 "[ . 1 . 2 . 3 . 4 . ]"
1 98 ALA 6.826 0.166 24 0 "[ . 1 . 2 . 3 . 4 . ]"
1 99 GLN 0.712 0.062 33 0 "[ . 1 . 2 . 3 . 4 . ]"
1 100 ALA 1.880 0.071 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 101 GLY 12.848 0.292 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 102 ALA 6.615 0.292 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 103 SER 6.502 0.285 4 0 "[ . 1 . 2 . 3 . 4 . ]"
1 104 GLY 7.512 0.276 26 0 "[ . 1 . 2 . 3 . 4 . ]"
1 105 TYR 1.279 0.229 24 0 "[ . 1 . 2 . 3 . 4 . ]"
1 106 VAL 3.985 0.168 10 0 "[ . 1 . 2 . 3 . 4 . ]"
1 107 VAL 5.008 0.211 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 108 LYS 1.615 0.200 1 0 "[ . 1 . 2 . 3 . 4 . ]"
1 109 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 110 PHE 5.837 0.289 7 0 "[ . 1 . 2 . 3 . 4 . ]"
1 111 THR 7.247 0.433 14 0 "[ . 1 . 2 . 3 . 4 . ]"
1 112 ALA 11.570 0.433 14 0 "[ . 1 . 2 . 3 . 4 . ]"
1 113 ALA 6.367 0.194 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 114 THR 0.696 0.075 1 0 "[ . 1 . 2 . 3 . 4 . ]"
1 115 LEU 9.672 0.289 7 0 "[ . 1 . 2 . 3 . 4 . ]"
1 116 GLU 18.871 0.194 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 117 GLU 2.927 0.084 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 118 LYS 0.373 0.052 25 0 "[ . 1 . 2 . 3 . 4 . ]"
1 119 LEU 1.325 0.066 9 0 "[ . 1 . 2 . 3 . 4 . ]"
1 120 ASN 3.734 0.124 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 121 LYS 2.907 0.124 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 122 ILE 2.160 0.066 9 0 "[ . 1 . 2 . 3 . 4 . ]"
1 123 PHE 4.605 0.112 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 124 GLU 3.987 0.122 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 125 LYS 0.038 0.015 46 0 "[ . 1 . 2 . 3 . 4 . ]"
1 126 LEU 0.182 0.037 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 127 GLY 4.050 0.122 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 128 MET 1.407 0.130 41 0 "[ . 1 . 2 . 3 . 4 . ]"
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 ALA MB 1 29 PHE QE 1.800 . 5.000 3.428 2.398 3.906 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
2 1 1 ALA MB 1 123 PHE HZ 1.800 . 5.000 4.066 3.541 4.285 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
3 1 1 ALA MB 1 123 PHE QD 1.800 . 5.000 2.552 2.010 3.487 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
4 1 1 ALA MB 1 123 PHE HB3 1.800 . 5.000 3.542 2.994 3.964 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
5 1 1 ALA MB 1 123 PHE HB2 1.800 . 5.000 3.989 3.421 4.271 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
6 1 1 ALA MB 1 128 MET HB3 1.800 . 5.000 3.038 2.255 3.951 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
7 1 1 ALA MB 1 128 MET HB2 1.800 . 5.000 3.101 2.079 4.119 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
8 1 1 ALA MB 1 128 MET QG 1.800 . 5.000 2.884 2.193 3.611 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
9 1 1 ALA HA 1 128 MET QB 1.800 . 5.000 2.729 2.117 3.799 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
10 1 2 ASP HA 1 3 LYS H 1.800 . 2.700 2.261 2.195 2.344 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
11 1 2 ASP QB 1 3 LYS H 1.800 . 5.000 3.389 2.908 3.989 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
12 1 2 ASP QB 1 4 GLU H 1.800 . 5.000 2.438 2.084 2.973 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
13 1 2 ASP QB 1 5 LEU H 1.800 . 5.000 3.361 3.056 3.822 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
14 1 2 ASP QB 1 5 LEU QD 1.800 . 5.000 3.110 2.720 3.310 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
15 1 3 LYS H 1 4 GLU H 1.800 . 3.500 2.771 2.530 3.352 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
16 1 3 LYS H 1 5 LEU H 1.800 . 5.000 5.062 4.991 5.140 0.140 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
17 1 3 LYS QE 1 28 GLY HA3 1.800 . 5.000 3.346 2.078 4.330 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
18 1 3 LYS QE 1 28 GLY HA2 1.800 . 5.000 4.002 2.629 4.558 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
19 1 3 LYS QD 1 28 GLY HA3 1.800 . 5.000 2.989 2.247 4.476 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
20 1 3 LYS QD 1 28 GLY HA2 1.800 . 5.000 3.803 2.766 4.531 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
21 1 3 LYS HB3 1 29 PHE HA 1.800 . 5.000 4.319 3.708 5.141 0.141 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
22 1 3 LYS HB2 1 29 PHE HA 1.800 . 5.000 4.860 3.678 5.177 0.177 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
23 1 3 LYS HA 1 29 PHE QD 1.800 . 5.000 3.604 3.140 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
24 1 4 GLU H 1 5 LEU H 1.800 . 2.700 2.491 1.887 2.781 0.081 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
25 1 4 GLU HA 1 5 LEU H 1.800 . 3.500 2.829 2.672 2.991 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
26 1 4 GLU QB 1 5 LEU H 1.800 . 6.000 3.928 3.735 4.083 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
27 1 4 GLU HA 1 31 ASN HB3 1.800 . 5.000 4.283 3.581 4.929 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
28 1 4 GLU HA 1 31 ASN HB2 1.800 . 5.000 3.721 2.766 5.095 0.095 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
29 1 5 LEU H 1 5 LEU HA 1.800 . 2.700 2.888 2.832 2.921 0.221 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
30 1 5 LEU H 1 5 LEU HB3 1.800 . 2.700 2.509 2.418 2.625 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
31 1 5 LEU H 1 5 LEU HB2 1.800 . 2.700 2.587 2.496 2.708 0.008 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
32 1 5 LEU H 1 5 LEU QD 1.800 . 5.000 3.691 3.641 3.753 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
33 1 5 LEU H 1 6 LYS H 1.800 . 5.000 4.523 4.328 4.679 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
34 1 5 LEU HA 1 6 LYS H 1.800 . 3.500 2.239 2.182 2.407 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
35 1 5 LEU HG 1 6 LYS H 1.800 . 3.500 3.192 2.642 3.626 0.126 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
36 1 5 LEU QD 1 6 LYS H 1.800 . 5.000 2.378 1.831 2.931 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
37 1 5 LEU H 1 7 PHE QE 1.800 . 5.000 3.266 3.147 3.427 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
38 1 5 LEU QD 1 7 PHE HZ 1.800 . 5.000 2.975 2.691 3.150 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
39 1 5 LEU HB3 1 7 PHE QE 1.800 . 5.000 2.298 2.231 2.409 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
40 1 5 LEU HB2 1 7 PHE QE 1.800 . 5.000 3.907 3.790 4.021 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
41 1 5 LEU H 1 29 PHE QD 1.800 . 3.500 1.728 1.608 1.895 0.192 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
42 1 5 LEU QB 1 29 PHE QD 1.800 . 5.000 2.903 2.338 3.398 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
43 1 5 LEU MD1 1 51 GLY HA3 1.800 . 5.000 2.173 2.045 2.357 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
44 1 5 LEU MD1 1 51 GLY HA2 1.800 . 5.000 3.561 3.267 3.741 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
45 1 5 LEU MD2 1 51 GLY HA3 1.800 . 5.000 3.730 3.387 3.965 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
46 1 5 LEU MD2 1 51 GLY HA2 1.800 . 6.000 4.762 4.423 4.929 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
47 1 5 LEU HG 1 51 GLY HA3 1.800 . 5.000 3.551 3.389 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
48 1 5 LEU HG 1 51 GLY HA2 1.800 . 5.000 5.051 4.919 5.153 0.153 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
49 1 5 LEU MD1 1 52 PHE QB 1.800 . 5.000 3.382 2.963 3.479 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
50 1 5 LEU MD2 1 52 PHE QB 1.800 . 5.000 2.403 2.048 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
51 1 5 LEU HG 1 52 PHE QB 1.800 . 5.000 2.271 2.164 2.359 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
52 1 5 LEU HG 1 52 PHE QD 1.800 . 5.000 3.536 2.819 3.846 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
53 1 5 LEU HG 1 52 PHE QE 1.800 . 6.000 5.500 5.052 5.820 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
54 1 5 LEU MD1 1 123 PHE QE 1.800 . 6.000 4.037 3.527 4.625 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
55 1 5 LEU MD2 1 123 PHE QE 1.800 . 5.000 2.574 2.221 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
56 1 5 LEU MD1 1 123 PHE HZ 1.800 . 5.000 4.099 3.894 4.261 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
57 1 5 LEU MD2 1 123 PHE HZ 1.800 . 5.000 2.028 1.995 2.118 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
58 1 6 LYS H 1 6 LYS HB3 1.800 . 3.500 3.510 3.357 3.590 0.090 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
59 1 6 LYS H 1 6 LYS HB2 1.800 . 3.500 2.213 2.092 2.415 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
60 1 6 LYS HA 1 7 PHE H 1.800 . 2.700 2.182 2.149 2.223 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
61 1 6 LYS HA 1 31 ASN HB3 1.800 . 5.000 2.778 2.329 4.953 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
62 1 6 LYS HA 1 31 ASN HB2 1.800 . 5.000 4.239 3.090 4.912 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
63 1 6 LYS QG 1 31 ASN QB 1.800 . 5.000 2.666 2.063 3.500 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
64 1 6 LYS QG 1 32 VAL HA 1.800 . 5.000 4.186 3.557 4.528 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
65 1 6 LYS HB3 1 50 TYR HA 1.800 . 5.000 2.425 2.203 2.961 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
66 1 6 LYS HB2 1 50 TYR HA 1.800 . 5.000 2.771 2.321 3.244 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
67 1 6 LYS QG 1 50 TYR HA 1.800 . 5.000 4.208 3.926 4.502 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
68 1 6 LYS QD 1 50 TYR HA 1.800 . 5.000 3.205 2.611 4.023 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
69 1 6 LYS HB3 1 50 TYR QD 1.800 . 5.000 2.523 2.244 3.047 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
70 1 6 LYS HB2 1 50 TYR QD 1.800 . 5.000 3.974 3.184 4.403 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
71 1 6 LYS H 1 51 GLY H 1.800 . 5.000 3.493 3.029 5.294 0.294 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
72 1 6 LYS HB3 1 51 GLY H 1.800 . 5.000 3.237 2.500 5.109 0.109 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
73 1 6 LYS HB2 1 51 GLY H 1.800 . 5.000 2.426 1.886 4.922 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
74 1 7 PHE H 1 7 PHE HB3 1.800 . 3.500 3.683 3.623 3.733 0.233 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
75 1 7 PHE H 1 7 PHE HB2 1.800 . 3.500 2.482 2.379 2.595 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
76 1 7 PHE HA 1 7 PHE QD 1.800 . 5.000 3.026 2.813 3.156 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
77 1 7 PHE HA 1 8 LEU H 1.800 . 2.700 2.301 2.254 2.373 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
78 1 7 PHE HB3 1 8 LEU H 1.800 . 5.000 2.784 2.613 3.009 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
79 1 7 PHE QB 1 9 VAL QG 1.800 . 5.000 3.069 2.789 3.284 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
80 1 7 PHE HB3 1 24 LEU QD 1.800 . 5.000 3.018 2.442 3.558 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
81 1 7 PHE HB2 1 24 LEU QD 1.800 . 5.000 2.914 2.506 3.614 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
82 1 7 PHE HZ 1 24 LEU QD 1.800 . 5.000 2.857 2.610 3.237 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
83 1 7 PHE QD 1 24 LEU QD 1.800 . 5.000 2.696 2.413 3.072 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
84 1 7 PHE QE 1 29 PHE HB3 1.800 . 5.000 2.816 2.400 3.217 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
85 1 7 PHE QE 1 29 PHE HB2 1.800 . 5.000 3.778 3.293 4.176 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
86 1 7 PHE QE 1 29 PHE QD 1.800 . 5.000 2.631 2.296 2.884 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
87 1 7 PHE H 1 32 VAL HA 1.800 . 5.000 2.482 2.185 2.788 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
88 1 7 PHE H 1 32 VAL QG 1.800 . 5.000 3.014 2.309 3.706 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
89 1 7 PHE HB3 1 32 VAL HA 1.800 . 5.000 4.638 4.135 5.030 0.030 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
90 1 7 PHE HB2 1 32 VAL HA 1.800 . 5.000 3.329 2.924 3.806 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
91 1 7 PHE HB3 1 32 VAL QG 1.800 . 5.000 3.160 2.274 3.528 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
92 1 7 PHE HB2 1 32 VAL QG 1.800 . 5.000 2.317 1.914 2.942 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
93 1 7 PHE HA 1 50 TYR QD 1.800 . 5.000 3.483 3.049 5.051 0.051 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
94 1 7 PHE QD 1 52 PHE QB 1.800 . 5.000 2.568 2.305 3.040 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
95 1 7 PHE QE 1 52 PHE QE 1.800 . 5.000 3.139 2.802 3.370 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
96 1 7 PHE HA 1 52 PHE QB 1.800 . 5.000 2.350 2.221 2.895 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
97 1 7 PHE QE 1 52 PHE QB 1.800 . 5.000 3.185 3.002 3.501 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
98 1 7 PHE HA 1 52 PHE H 1.800 . 3.500 3.536 3.321 3.627 0.127 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
99 1 7 PHE HZ 1 119 LEU MD1 1.800 . 5.000 3.401 2.380 3.985 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
100 1 7 PHE HZ 1 119 LEU MD2 1.800 . 5.000 3.620 2.841 4.065 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
101 1 7 PHE HZ 1 123 PHE HZ 1.800 . 5.000 4.413 3.622 5.020 0.020 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
102 1 8 LEU HA 1 9 VAL H 1.800 . 3.500 2.209 2.173 2.263 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
103 1 8 LEU HG 1 10 VAL QG 1.800 . 5.000 2.179 2.033 2.851 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
104 1 8 LEU QD 1 10 VAL QG 1.800 . 5.000 2.291 1.920 2.599 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
105 1 8 LEU HA 1 33 GLU HB3 1.800 . 5.000 4.502 3.739 5.008 0.008 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
106 1 8 LEU HA 1 33 GLU HB2 1.800 . 5.000 3.533 2.864 5.176 0.176 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
107 1 8 LEU QD 1 33 GLU H 1.800 . 5.000 3.214 2.974 3.671 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
108 1 8 LEU HA 1 33 GLU H 1.800 . 5.000 2.561 2.277 2.704 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
109 1 8 LEU QD 1 34 GLU H 1.800 . 5.000 3.190 3.017 3.701 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
110 1 8 LEU MD1 1 35 ALA MB 1.800 . 5.000 2.575 2.144 3.137 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
111 1 8 LEU MD2 1 35 ALA MB 1.800 . 5.000 2.929 2.347 3.256 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
112 1 8 LEU QD 1 41 ALA MB 1.800 . 5.000 2.280 2.027 2.823 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
113 1 8 LEU MD1 1 41 ALA HA 1.800 . 5.000 3.731 3.240 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
114 1 8 LEU MD2 1 41 ALA HA 1.800 . 5.000 2.456 2.176 2.829 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
115 1 8 LEU MD1 1 44 LYS QB 1.800 . 5.000 3.190 2.665 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
116 1 8 LEU MD2 1 44 LYS QB 1.800 . 5.000 2.853 2.175 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
117 1 8 LEU QD 1 45 LEU HA 1.800 . 5.000 3.164 2.194 3.711 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
118 1 8 LEU QD 1 45 LEU QD 1.800 . 5.000 1.838 1.764 2.244 0.036 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
119 1 8 LEU HA 1 50 TYR QD 1.800 . 5.000 3.885 3.410 4.660 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
120 1 8 LEU HA 1 50 TYR QE 1.800 . 5.000 3.499 2.664 4.390 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
121 1 8 LEU QD 1 50 TYR QD 1.800 . 5.000 3.107 2.226 3.478 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
122 1 8 LEU QD 1 50 TYR QE 1.800 . 5.000 2.753 1.879 3.557 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
123 1 8 LEU HB3 1 50 TYR QD 1.800 . 5.000 3.795 3.015 4.184 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
124 1 8 LEU HB2 1 50 TYR QD 1.800 . 5.000 2.807 2.304 3.078 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
125 1 8 LEU HB3 1 50 TYR QE 1.800 . 5.000 4.625 3.901 4.903 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
126 1 8 LEU HB2 1 50 TYR QE 1.800 . 5.000 3.192 2.694 3.629 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
127 1 8 LEU H 1 50 TYR QD 1.800 . 5.000 3.752 3.090 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
128 1 8 LEU H 1 53 VAL QG 1.800 . 5.000 3.155 2.581 3.616 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
129 1 8 LEU QD 1 53 VAL QG 1.800 . 5.000 2.324 2.008 2.775 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
130 1 8 LEU H 1 53 VAL HA 1.800 . 3.500 2.081 1.784 2.645 0.016 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
131 1 8 LEU HB3 1 53 VAL HA 1.800 . 5.000 2.468 2.293 3.077 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
132 1 8 LEU HB2 1 53 VAL HA 1.800 . 5.000 3.830 3.380 4.652 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
133 1 8 LEU HB3 1 53 VAL QG 1.800 . 5.000 2.058 1.940 2.266 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
134 1 8 LEU HB2 1 53 VAL QG 1.800 . 5.000 2.963 2.316 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
135 1 9 VAL H 1 9 VAL HB 1.800 . 3.500 3.341 2.843 3.654 0.154 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
136 1 9 VAL QG 1 17 ARG HA 1.800 . 5.000 2.863 2.296 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
137 1 9 VAL QG 1 17 ARG QB 1.800 . 5.000 2.873 2.327 3.296 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
138 1 9 VAL H 1 32 VAL QG 1.800 . 5.000 2.924 2.329 3.397 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
139 1 9 VAL H 1 34 GLU HA 1.800 . 5.000 3.058 2.753 3.299 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
140 1 9 VAL QG 1 34 GLU QG 1.800 . 5.000 2.538 1.959 3.372 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
141 1 9 VAL QG 1 34 GLU HA 1.800 . 5.000 2.769 2.254 3.620 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
142 1 9 VAL HB 1 34 GLU HA 1.800 . 5.000 4.035 3.151 4.961 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
143 1 9 VAL QG 1 54 ILE HB 1.800 . 5.000 2.430 2.073 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
144 1 9 VAL HA 1 54 ILE HB 1.800 . 5.000 2.636 2.334 3.640 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
145 1 9 VAL HA 1 54 ILE H 1.800 . 5.000 3.350 2.863 3.727 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
146 1 10 VAL H 1 10 VAL QG 1.800 . 5.000 2.486 2.003 2.769 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
147 1 10 VAL H 1 10 VAL HA 1.800 . 2.700 2.944 2.920 2.968 0.268 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
148 1 10 VAL H 1 10 VAL HB 1.800 . 3.500 2.586 2.464 2.890 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
149 1 10 VAL HA 1 35 ALA MB 1.800 . 5.000 2.833 2.301 3.456 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
150 1 10 VAL QG 1 35 ALA MB 1.800 . 5.000 1.788 1.741 1.908 0.059 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
151 1 10 VAL HA 1 35 ALA H 1.800 . 5.000 2.326 1.987 2.746 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
152 1 10 VAL QG 1 35 ALA H 1.800 . 5.000 3.006 2.594 3.542 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
153 1 10 VAL QG 1 37 ASP H 1.800 . 3.500 2.201 1.960 2.341 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
154 1 10 VAL QG 1 41 ALA HA 1.800 . 5.000 3.123 2.715 3.480 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
155 1 10 VAL QG 1 41 ALA MB 1.800 . 5.000 1.949 1.828 2.101 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
156 1 10 VAL HB 1 41 ALA MB 1.800 . 5.000 3.948 3.533 4.165 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
157 1 10 VAL QG 1 41 ALA H 1.800 . 5.000 3.102 2.687 3.535 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
158 1 10 VAL HB 1 55 SER HA 1.800 . 5.000 2.744 2.291 3.221 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
159 1 10 VAL H 1 55 SER HA 1.800 . 5.000 2.777 2.264 3.384 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
160 1 10 VAL QG 1 55 SER HB3 1.800 . 5.000 3.360 2.850 3.788 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
161 1 10 VAL QG 1 55 SER HB2 1.800 . 5.000 3.480 2.264 3.800 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
162 1 10 VAL QG 1 55 SER HA 1.800 . 5.000 3.435 2.543 3.848 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
163 1 10 VAL HB 1 56 ASP H 1.800 . 5.000 3.715 2.693 4.382 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
164 1 11 ASP QB 1 17 ARG H 1.800 . 5.000 4.036 3.051 4.729 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
165 1 11 ASP HA 1 56 ASP H 1.800 . 5.000 4.180 2.295 5.006 0.006 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
166 1 12 ASP HA 1 36 GLU HA 1.800 . 5.000 3.817 2.580 4.802 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
167 1 12 ASP HA 1 36 GLU QB 1.800 . 5.000 4.020 2.601 4.497 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
168 1 13 PHE QD 1 15 THR HG1 1.800 . 5.000 2.538 2.064 4.017 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
169 1 13 PHE QB 1 16 MET QB 1.800 . 5.000 2.066 1.915 2.337 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
170 1 13 PHE QB 1 16 MET HG3 1.800 . 5.000 4.469 3.882 4.793 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
171 1 13 PHE QB 1 16 MET HG2 1.800 . 5.000 4.107 3.512 4.497 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
172 1 13 PHE QD 1 16 MET QB 1.800 . 5.000 3.173 2.370 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
173 1 13 PHE QB 1 16 MET H 1.800 . 5.000 2.037 1.763 2.973 0.037 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
174 1 13 PHE QB 1 17 ARG H 1.800 . 5.000 3.671 1.569 4.412 0.231 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
175 1 15 THR HA 1 16 MET H 1.800 . 5.000 3.427 3.000 3.565 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
176 1 15 THR HB 1 16 MET H 1.800 . 5.000 4.238 3.722 4.561 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
177 1 15 THR HA 1 18 ARG H 1.800 . 3.500 3.452 3.047 3.668 0.168 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
178 1 15 THR HA 1 18 ARG QB 1.800 . 5.000 3.063 2.313 4.448 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
179 1 16 MET H 1 16 MET QG 1.800 . 5.000 3.973 3.821 4.106 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
180 1 16 MET H 1 17 ARG H 1.800 . 3.500 2.766 2.241 3.544 0.044 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
181 1 16 MET QG 1 17 ARG H 1.800 . 5.000 3.385 2.090 4.303 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
182 1 16 MET HA 1 19 ILE HB 1.800 . 5.000 2.747 2.333 3.519 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
183 1 16 MET HA 1 19 ILE MD 1.800 . 5.000 2.802 2.302 4.292 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
184 1 16 MET HG3 1 20 VAL QG 1.800 . 5.000 3.057 2.206 3.559 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
185 1 16 MET HG2 1 20 VAL QG 1.800 . 5.000 3.161 2.521 3.600 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
186 1 16 MET QG 1 20 VAL QG 1.800 . 5.000 2.706 2.180 3.126 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
187 1 16 MET HA 1 20 VAL H 1.800 . 5.000 4.460 3.998 5.056 0.056 44 0 "[ . 1 . 2 . 3 . 4 . ]" 1
188 1 17 ARG HB3 1 18 ARG HA 1.800 . 5.000 5.095 4.650 5.416 0.416 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
189 1 17 ARG HB2 1 18 ARG HA 1.800 . 5.000 4.269 3.627 5.191 0.191 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
190 1 17 ARG HA 1 20 VAL H 1.800 . 5.000 3.696 3.412 3.904 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
191 1 17 ARG HA 1 20 VAL HB 1.800 . 5.000 4.364 3.484 4.754 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
192 1 18 ARG H 1 18 ARG QB 1.800 . 3.500 2.264 2.062 2.737 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
193 1 18 ARG H 1 18 ARG QG 1.800 . 5.000 3.380 1.747 4.082 0.053 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
194 1 18 ARG H 1 20 VAL H 1.800 . 5.000 4.530 4.294 4.833 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
195 1 18 ARG HA 1 21 ARG H 1.800 . 3.500 3.514 3.403 3.576 0.076 44 0 "[ . 1 . 2 . 3 . 4 . ]" 1
196 1 18 ARG HA 1 21 ARG HB3 1.800 . 5.000 3.711 3.354 3.988 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
197 1 18 ARG HA 1 21 ARG HB2 1.800 . 5.000 2.347 2.299 2.529 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
198 1 19 ILE MG 1 20 VAL MG1 1.800 . 5.000 2.972 2.817 3.089 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
199 1 19 ILE MG 1 20 VAL MG2 1.800 . 5.000 2.750 2.268 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
200 1 19 ILE MG 1 20 VAL HA 1.800 . 5.000 2.932 2.844 3.164 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
201 1 19 ILE H 1 20 VAL H 1.800 . 3.500 2.801 2.553 3.109 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
202 1 19 ILE HA 1 20 VAL H 1.800 . 5.000 3.581 3.568 3.591 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
203 1 19 ILE HB 1 20 VAL H 1.800 . 2.700 2.610 2.290 2.716 0.016 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
204 1 19 ILE H 1 21 ARG H 1.800 . 5.000 3.984 3.594 4.346 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
205 1 19 ILE HA 1 22 ASN H 1.800 . 5.000 4.037 3.704 4.385 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
206 1 19 ILE HA 1 22 ASN HB3 1.800 . 5.000 4.423 3.919 4.756 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
207 1 19 ILE HA 1 22 ASN HB2 1.800 . 5.000 3.855 3.222 4.210 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
208 1 19 ILE HA 1 23 LEU H 1.800 . 5.000 4.291 3.985 4.557 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
209 1 20 VAL H 1 20 VAL QG 1.800 . 5.000 1.613 1.594 1.645 0.206 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
210 1 20 VAL H 1 21 ARG H 1.800 . 3.500 2.677 2.494 2.850 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
211 1 20 VAL HA 1 21 ARG H 1.800 . 5.000 3.537 3.415 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
212 1 20 VAL HB 1 21 ARG H 1.800 . 3.500 3.149 2.881 3.500 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
213 1 20 VAL QG 1 21 ARG H 1.800 . 5.000 2.558 2.186 3.126 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
214 1 20 VAL HA 1 23 LEU H 1.800 . 3.500 3.471 3.318 3.537 0.037 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
215 1 20 VAL HA 1 23 LEU MD1 1.800 . 5.000 3.501 3.119 3.825 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
216 1 20 VAL HA 1 23 LEU MD2 1.800 . 5.000 3.240 2.990 3.578 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
217 1 20 VAL HA 1 23 LEU HB3 1.800 . 5.000 2.303 2.257 2.335 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
218 1 20 VAL HA 1 23 LEU HB2 1.800 . 5.000 2.721 2.438 3.083 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
219 1 20 VAL QG 1 23 LEU QB 1.800 . 5.000 2.998 2.784 3.103 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
220 1 20 VAL QG 1 54 ILE MD 1.800 . 5.000 2.579 2.162 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
221 1 20 VAL QG 1 110 PHE QE 1.800 . 5.000 2.625 2.198 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
222 1 20 VAL MG1 1 110 PHE HZ 1.800 . 5.000 2.182 2.007 2.400 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
223 1 20 VAL MG2 1 110 PHE HZ 1.800 . 5.000 3.945 3.377 4.171 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
224 1 21 ARG H 1 21 ARG HB3 1.800 . 3.500 3.463 3.382 3.538 0.038 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
225 1 21 ARG H 1 21 ARG HB2 1.800 . 3.500 2.141 2.091 2.224 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
226 1 21 ARG H 1 22 ASN H 1.800 . 3.500 2.962 2.733 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
227 1 21 ARG HB3 1 22 ASN H 1.800 . 2.700 2.722 2.505 2.776 0.076 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
228 1 21 ARG HB2 1 22 ASN H 1.800 . 2.700 2.727 2.517 2.801 0.101 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
229 1 21 ARG HA 1 24 LEU HB3 1.800 . 5.000 4.870 4.162 5.051 0.051 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
230 1 21 ARG HA 1 24 LEU HB2 1.800 . 5.000 3.371 2.749 3.605 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
231 1 22 ASN H 1 22 ASN HB3 1.800 . 2.700 3.014 2.990 3.037 0.337 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
232 1 22 ASN H 1 22 ASN HB2 1.800 . 2.700 1.989 1.960 2.011 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
233 1 22 ASN HA 1 23 LEU H 1.800 . 5.000 3.537 3.522 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
234 1 22 ASN HB3 1 23 LEU H 1.800 . 2.700 2.162 2.102 2.305 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
235 1 22 ASN HB2 1 23 LEU H 1.800 . 2.700 2.954 2.934 2.976 0.276 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
236 1 22 ASN HA 1 25 LYS QD 1.800 . 5.000 3.458 2.329 4.291 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
237 1 22 ASN HA 1 25 LYS H 1.800 . 3.500 3.427 2.951 3.530 0.030 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
238 1 22 ASN HA 1 25 LYS QB 1.800 . 5.000 2.429 2.255 2.686 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
239 1 22 ASN HA 1 26 GLU H 1.800 . 5.000 4.072 3.891 4.343 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
240 1 23 LEU H 1 23 LEU HB3 1.800 . 2.700 2.840 2.736 2.914 0.214 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
241 1 23 LEU H 1 23 LEU HB2 1.800 . 2.700 2.238 2.141 2.380 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
242 1 23 LEU H 1 24 LEU H 1.800 . 3.500 3.129 2.867 3.342 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
243 1 23 LEU HB3 1 24 LEU H 1.800 . 5.000 2.242 1.941 2.808 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
244 1 23 LEU HB2 1 24 LEU H 1.800 . 5.000 3.559 3.355 3.910 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
245 1 23 LEU QB 1 24 LEU HG 1.800 . 5.000 3.528 3.233 3.764 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
246 1 23 LEU H 1 25 LYS H 1.800 . 5.000 4.381 4.138 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
247 1 23 LEU HA 1 26 GLU H 1.800 . 3.500 3.553 3.440 3.625 0.125 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
248 1 23 LEU HA 1 26 GLU HB3 1.800 . 5.000 3.599 2.790 4.428 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
249 1 23 LEU HA 1 26 GLU HB2 1.800 . 5.000 2.889 2.530 4.416 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
250 1 23 LEU MD1 1 110 PHE QD 1.800 . 5.000 2.298 2.064 2.445 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
251 1 23 LEU MD1 1 110 PHE QE 1.800 . 5.000 2.272 2.180 2.503 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
252 1 23 LEU MD2 1 110 PHE QD 1.800 . 5.000 2.697 2.436 3.074 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
253 1 23 LEU MD2 1 110 PHE QE 1.800 . 5.000 2.134 2.045 2.408 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
254 1 23 LEU QB 1 112 ALA HA 1.800 . 5.000 4.432 4.300 4.583 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
255 1 23 LEU MD1 1 112 ALA H 1.800 . 5.000 2.428 2.183 2.776 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
256 1 23 LEU MD2 1 112 ALA H 1.800 . 5.000 4.042 3.727 4.119 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
257 1 24 LEU H 1 25 LYS H 1.800 . 3.500 2.750 2.308 2.910 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
258 1 24 LEU HA 1 27 LEU H 1.800 . 3.500 3.492 3.076 3.601 0.101 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
259 1 24 LEU HA 1 27 LEU QB 1.800 . 5.000 3.186 2.360 3.864 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
260 1 24 LEU HB3 1 29 PHE HB3 1.800 . 5.000 3.429 2.974 3.762 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
261 1 24 LEU HB3 1 29 PHE HB2 1.800 . 5.000 2.308 2.246 2.394 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
262 1 24 LEU HB2 1 29 PHE HB3 1.800 . 5.000 4.979 4.626 5.094 0.094 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
263 1 24 LEU HB2 1 29 PHE HB2 1.800 . 5.000 3.935 3.650 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
264 1 24 LEU QD 1 29 PHE QD 1.800 . 5.000 2.397 2.176 2.936 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
265 1 24 LEU HA 1 29 PHE QD 1.800 . 5.000 3.223 2.803 3.646 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
266 1 24 LEU QB 1 29 PHE QD 1.800 . 5.000 3.141 2.319 3.697 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
267 1 24 LEU QD 1 54 ILE MD 1.800 . 5.000 2.236 1.935 2.716 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
268 1 25 LYS H 1 25 LYS HA 1.800 . 2.700 2.808 2.769 2.867 0.167 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
269 1 25 LYS HA 1 26 GLU H 1.800 . 3.500 3.530 3.489 3.564 0.064 3 0 "[ . 1 . 2 . 3 . 4 . ]" 1
270 1 25 LYS HA 1 28 GLY H 1.800 . 3.500 3.379 2.972 3.528 0.028 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
271 1 25 LYS HA 1 29 PHE HB3 1.800 . 5.000 4.951 4.576 5.067 0.067 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
272 1 25 LYS HA 1 29 PHE HB2 1.800 . 5.000 3.600 3.362 3.843 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
273 1 25 LYS HA 1 29 PHE H 1.800 . 3.500 2.438 1.977 3.066 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
274 1 25 LYS HA 1 30 ASN HA 1.800 . 5.000 4.663 4.235 5.035 0.035 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
275 1 26 GLU H 1 26 GLU HA 1.800 . 2.700 2.807 2.774 2.877 0.177 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
276 1 26 GLU H 1 26 GLU HB3 1.800 . 3.500 2.971 2.168 3.591 0.091 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
277 1 26 GLU H 1 26 GLU HB2 1.800 . 3.500 2.316 2.079 3.484 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
278 1 26 GLU H 1 27 LEU H 1.800 . 3.500 2.746 2.519 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
279 1 26 GLU HA 1 27 LEU H 1.800 . 3.500 3.515 3.400 3.572 0.072 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
280 1 27 LEU H 1 28 GLY H 1.800 . 3.500 2.628 2.259 2.869 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
281 1 27 LEU HA 1 28 GLY H 1.800 . 3.500 3.517 3.252 3.577 0.077 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
282 1 27 LEU H 1 29 PHE H 1.800 . 5.000 4.186 3.473 5.008 0.008 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
283 1 27 LEU QB 1 29 PHE QD 1.800 . 5.000 2.545 2.086 2.992 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
284 1 28 GLY H 1 28 GLY HA3 1.800 . 2.700 2.904 2.837 2.955 0.255 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
285 1 28 GLY H 1 28 GLY HA2 1.800 . 2.700 2.643 2.355 2.803 0.103 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
286 1 28 GLY H 1 29 PHE H 1.800 . 2.700 2.242 1.691 2.794 0.109 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
287 1 29 PHE HA 1 29 PHE QD 1.800 . 5.000 2.522 2.291 2.939 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
288 1 29 PHE HA 1 30 ASN H 1.800 . 2.700 2.285 2.191 2.391 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
289 1 30 ASN H 1 30 ASN HB3 1.800 . 3.500 3.244 2.840 3.640 0.140 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
290 1 30 ASN H 1 30 ASN HB2 1.800 . 3.500 3.219 2.317 3.715 0.215 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
291 1 30 ASN H 1 31 ASN H 1.800 . 3.500 2.961 2.077 3.544 0.044 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
292 1 31 ASN H 1 31 ASN HB3 1.800 . 3.500 3.413 2.924 3.634 0.134 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
293 1 31 ASN H 1 31 ASN HB2 1.800 . 3.500 3.266 2.956 3.772 0.272 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
294 1 31 ASN H 1 32 VAL QG 1.800 . 5.000 2.816 2.325 3.393 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
295 1 31 ASN HB3 1 32 VAL H 1.800 . 5.000 4.251 4.034 4.469 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
296 1 31 ASN HB2 1 32 VAL H 1.800 . 5.000 4.618 3.771 4.704 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
297 1 32 VAL HA 1 33 GLU QG 1.800 . 5.000 4.130 3.640 4.517 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
298 1 32 VAL HA 1 33 GLU H 1.800 . 5.000 2.408 2.305 2.638 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
299 1 32 VAL QG 1 33 GLU H 1.800 . 3.500 2.077 1.792 2.464 0.008 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
300 1 33 GLU HA 1 34 GLU H 1.800 . 2.700 2.744 2.683 2.801 0.101 24 0 "[ . 1 . 2 . 3 . 4 . ]" 1
301 1 33 GLU QB 1 34 GLU H 1.800 . 3.500 1.989 1.823 2.526 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
302 1 33 GLU HB3 1 50 TYR QE 1.800 . 5.000 3.849 2.352 4.441 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
303 1 33 GLU HB2 1 50 TYR QE 1.800 . 5.000 2.585 2.276 4.558 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
304 1 34 GLU H 1 34 GLU QG 1.800 . 5.000 3.607 2.596 4.282 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
305 1 34 GLU HA 1 35 ALA H 1.800 . 2.700 2.294 2.226 2.399 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
306 1 34 GLU QB 1 35 ALA H 1.800 . 5.000 2.923 2.370 3.534 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
307 1 35 ALA H 1 35 ALA MB 1.800 . 5.000 2.624 2.501 2.713 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
308 1 35 ALA HA 1 36 GLU H 1.800 . 2.700 2.729 2.478 2.820 0.120 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
309 1 35 ALA MB 1 36 GLU H 1.800 . 3.500 2.171 1.900 2.626 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
310 1 35 ALA HA 1 37 ASP H 1.800 . 5.000 4.405 4.107 4.600 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
311 1 35 ALA MB 1 37 ASP H 1.800 . 5.000 2.466 2.248 2.712 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
312 1 35 ALA MB 1 40 ASP QB 1.800 . 5.000 2.162 2.048 2.366 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
313 1 35 ALA MB 1 41 ALA HA 1.800 . 5.000 2.664 2.302 3.094 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
314 1 35 ALA MB 1 41 ALA H 1.800 . 5.000 2.965 2.619 3.280 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
315 1 35 ALA MB 1 44 LYS QB 1.800 . 5.000 3.240 2.629 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
316 1 36 GLU H 1 36 GLU QG 1.800 . 3.500 2.464 1.882 3.044 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
317 1 36 GLU H 1 36 GLU QB 1.800 . 3.500 2.955 2.518 3.271 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
318 1 36 GLU H 1 37 ASP H 1.800 . 3.500 1.945 1.765 2.484 0.035 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
319 1 36 GLU QB 1 37 ASP H 1.800 . 5.000 3.640 3.129 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
320 1 36 GLU H 1 40 ASP HB3 1.800 . 3.500 1.994 1.791 2.363 0.009 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
321 1 36 GLU H 1 40 ASP HB2 1.800 . 3.500 2.750 2.502 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
322 1 37 ASP HA 1 38 GLY H 1.800 . 5.000 2.562 2.277 2.890 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
323 1 37 ASP HB3 1 38 GLY H 1.800 . 5.000 3.353 2.193 4.156 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
324 1 37 ASP HB2 1 38 GLY H 1.800 . 5.000 2.919 1.918 4.302 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
325 1 37 ASP H 1 40 ASP H 1.800 . 3.500 3.560 3.435 3.662 0.162 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
326 1 37 ASP H 1 40 ASP HB3 1.800 . 3.500 2.225 1.786 2.554 0.014 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
327 1 37 ASP H 1 40 ASP HB2 1.800 . 3.500 3.048 2.506 3.480 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
328 1 37 ASP H 1 41 ALA H 1.800 . 3.500 3.318 2.943 3.545 0.045 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
329 1 37 ASP QB 1 60 PRO QB 1.800 . 5.000 3.486 2.013 3.983 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
330 1 38 GLY H 1 39 VAL H 1.800 . 5.000 2.731 2.403 3.120 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
331 1 38 GLY QA 1 41 ALA H 1.800 . 5.000 3.187 2.834 3.462 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
332 1 38 GLY HA3 1 41 ALA MB 1.800 . 5.000 3.980 3.632 4.094 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
333 1 38 GLY HA2 1 41 ALA MB 1.800 . 5.000 2.511 2.187 2.645 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
334 1 38 GLY HA3 1 67 LEU MD1 1.800 . 5.000 2.606 2.059 3.992 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
335 1 38 GLY HA2 1 67 LEU MD1 1.800 . 5.000 2.309 2.037 3.606 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
336 1 38 GLY HA3 1 67 LEU MD2 1.800 . 5.000 3.213 2.303 4.262 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
337 1 38 GLY HA2 1 67 LEU MD2 1.800 . 5.000 2.388 2.053 3.376 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
338 1 38 GLY HA3 1 67 LEU HB3 1.800 . 5.000 4.740 3.546 5.213 0.213 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
339 1 38 GLY HA3 1 67 LEU HB2 1.800 . 5.000 3.608 2.268 5.079 0.079 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
340 1 38 GLY HA2 1 67 LEU HB3 1.800 . 5.000 4.663 3.796 5.088 0.088 3 0 "[ . 1 . 2 . 3 . 4 . ]" 1
341 1 38 GLY HA2 1 67 LEU HB2 1.800 . 5.000 3.920 2.325 5.031 0.031 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
342 1 39 VAL H 1 40 ASP H 1.800 . 2.700 2.657 2.433 2.758 0.058 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
343 1 39 VAL H 1 40 ASP QB 1.800 . 5.000 4.430 4.194 4.536 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
344 1 39 VAL HA 1 40 ASP H 1.800 . 3.500 3.531 3.485 3.566 0.066 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
345 1 39 VAL HB 1 40 ASP H 1.800 . 5.000 3.101 2.334 4.109 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
346 1 39 VAL QG 1 40 ASP H 1.800 . 5.000 2.763 1.730 3.408 0.070 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
347 1 39 VAL HA 1 42 LEU QB 1.800 . 5.000 2.823 2.251 4.015 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
348 1 39 VAL HA 1 42 LEU H 1.800 . 5.000 3.799 3.191 4.406 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
349 1 39 VAL QG 1 43 ASN QD 1.800 . 5.000 2.511 1.710 3.440 0.090 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
350 1 40 ASP H 1 40 ASP HB3 1.800 . 2.700 2.747 2.600 2.824 0.124 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
351 1 40 ASP H 1 40 ASP HB2 1.800 . 2.700 2.363 2.266 2.578 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
352 1 40 ASP H 1 41 ALA H 1.800 . 3.500 2.570 2.408 2.816 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
353 1 40 ASP HB3 1 41 ALA H 1.800 . 3.500 2.417 2.180 2.648 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
354 1 40 ASP HB2 1 41 ALA H 1.800 . 3.500 3.568 3.534 3.625 0.125 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
355 1 40 ASP HA 1 43 ASN QD 1.800 . 5.000 3.608 2.343 4.310 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
356 1 40 ASP HA 1 43 ASN QB 1.800 . 5.000 2.884 2.331 3.520 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
357 1 41 ALA H 1 42 LEU H 1.800 . 3.500 2.793 2.477 3.085 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
358 1 41 ALA HA 1 44 LYS QB 1.800 . 5.000 2.692 2.287 3.583 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
359 1 41 ALA HA 1 44 LYS H 1.800 . 5.000 3.322 2.925 3.740 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
360 1 41 ALA MB 1 67 LEU QD 1.800 . 5.000 1.998 1.794 2.285 0.006 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
361 1 41 ALA H 1 67 LEU QD 1.800 . 5.000 3.690 3.386 3.804 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
362 1 42 LEU H 1 43 ASN H 1.800 . 5.000 2.869 2.425 3.039 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
363 1 43 ASN HA 1 44 LYS H 1.800 . 3.500 3.527 3.468 3.578 0.078 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
364 1 43 ASN HB3 1 44 LYS H 1.800 . 3.500 3.476 2.972 3.557 0.057 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
365 1 43 ASN HB2 1 44 LYS H 1.800 . 3.500 2.927 2.536 3.335 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
366 1 44 LYS H 1 45 LEU H 1.800 . 3.500 2.449 2.317 2.617 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
367 1 44 LYS QB 1 45 LEU HA 1.800 . 5.000 3.959 3.663 4.247 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
368 1 44 LYS HA 1 47 ALA MB 1.800 . 5.000 3.477 2.301 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
369 1 45 LEU HA 1 48 GLY H 1.800 . 5.000 4.597 3.214 5.086 0.086 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
370 1 45 LEU QD 1 50 TYR HB3 1.800 . 5.000 3.550 2.810 3.764 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
371 1 45 LEU QD 1 50 TYR HB2 1.800 . 5.000 2.408 2.094 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
372 1 45 LEU MD1 1 50 TYR QD 1.800 . 5.000 2.841 2.191 4.027 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
373 1 45 LEU MD2 1 50 TYR QD 1.800 . 5.000 2.954 2.178 3.771 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
374 1 45 LEU QD 1 71 ILE MD 1.800 . 5.000 2.873 2.463 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
375 1 46 GLN H 1 47 ALA H 1.800 . 2.700 2.567 2.100 2.788 0.088 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
376 1 46 GLN HA 1 47 ALA H 1.800 . 3.500 3.340 3.049 3.543 0.043 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
377 1 46 GLN QB 1 47 ALA H 1.800 . 5.000 3.322 2.456 3.864 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
378 1 46 GLN QG 1 47 ALA H 1.800 . 5.000 3.961 2.421 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
379 1 47 ALA H 1 47 ALA HA 1.800 . 2.700 2.767 2.736 2.850 0.150 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
380 1 47 ALA MB 1 48 GLY H 1.800 . 3.500 2.022 1.791 2.481 0.009 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
381 1 47 ALA MB 1 50 TYR QE 1.800 . 5.000 2.361 2.065 3.184 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
382 1 48 GLY H 1 49 GLY H 1.800 . 3.500 2.148 1.762 3.521 0.038 9 0 "[ . 1 . 2 . 3 . 4 . ]" 1
383 1 48 GLY QA 1 49 GLY H 1.800 . 3.500 2.760 2.157 2.936 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
384 1 48 GLY H 1 50 TYR QD 1.800 . 5.000 3.809 2.758 4.816 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
385 1 48 GLY H 1 50 TYR QE 1.800 . 5.000 3.585 2.858 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
386 1 49 GLY H 1 50 TYR H 1.800 . 5.000 2.926 1.754 3.819 0.046 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
387 1 49 GLY H 1 50 TYR QD 1.800 . 5.000 3.733 2.676 4.784 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
388 1 49 GLY HA3 1 50 TYR H 1.800 . 3.500 3.451 2.779 3.567 0.067 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
389 1 49 GLY HA2 1 50 TYR H 1.800 . 3.500 2.520 2.190 3.560 0.060 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
390 1 50 TYR H 1 50 TYR HB3 1.800 . 3.500 3.575 3.508 3.613 0.113 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
391 1 50 TYR H 1 50 TYR HB2 1.800 . 3.500 2.366 2.180 2.868 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
392 1 50 TYR H 1 51 GLY H 1.800 . 5.000 4.338 2.692 4.662 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
393 1 50 TYR HA 1 51 GLY H 1.800 . 3.500 2.261 2.140 3.494 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
394 1 50 TYR HB3 1 51 GLY H 1.800 . 5.000 3.634 2.634 4.197 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
395 1 50 TYR HB2 1 51 GLY H 1.800 . 5.000 4.359 2.795 4.574 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
396 1 50 TYR QB 1 52 PHE H 1.800 . 5.000 2.464 2.190 2.884 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
397 1 50 TYR HB3 1 53 VAL QG 1.800 . 5.000 2.503 2.139 3.822 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
398 1 50 TYR HB2 1 53 VAL QG 1.800 . 5.000 2.589 2.037 3.747 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
399 1 51 GLY H 1 52 PHE H 1.800 . 2.700 2.605 1.972 2.803 0.103 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
400 1 51 GLY HA3 1 80 LEU QD 1.800 . 5.000 3.442 2.513 3.737 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
401 1 51 GLY HA2 1 80 LEU QD 1.800 . 5.000 2.183 1.968 2.648 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
402 1 52 PHE QD 1 53 VAL H 1.800 . 5.000 2.922 1.723 3.935 0.077 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
403 1 52 PHE HA 1 53 VAL H 1.800 . 2.700 2.284 2.211 2.367 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
404 1 52 PHE HA 1 81 PRO QB 1.800 . 5.000 3.403 2.891 3.887 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
405 1 52 PHE HA 1 81 PRO QG 1.800 . 5.000 3.501 2.929 4.065 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
406 1 52 PHE QD 1 81 PRO HB3 1.800 . 5.000 4.440 3.916 4.935 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
407 1 52 PHE QD 1 81 PRO HB2 1.800 . 5.000 3.165 2.779 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
408 1 52 PHE QE 1 81 PRO QG 1.800 . 5.000 3.040 2.280 4.129 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
409 1 52 PHE QD 1 83 LEU H 1.800 . 5.000 3.821 2.995 4.217 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
410 1 52 PHE QE 1 83 LEU H 1.800 . 5.000 3.573 2.490 4.442 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
411 1 52 PHE QE 1 83 LEU HB3 1.800 . 5.000 2.955 2.308 3.935 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
412 1 52 PHE QE 1 83 LEU HB2 1.800 . 5.000 2.434 2.230 3.329 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
413 1 52 PHE HZ 1 122 ILE MD 1.800 . 5.000 3.330 2.598 4.227 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
414 1 52 PHE QD 1 123 PHE QE 1.800 . 5.000 3.700 2.806 4.026 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
415 1 52 PHE QE 1 123 PHE QE 1.800 . 5.000 2.435 2.255 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
416 1 53 VAL H 1 53 VAL HB 1.800 . 3.500 2.815 2.547 3.686 0.186 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
417 1 53 VAL QG 1 71 ILE MD 1.800 . 5.000 2.901 2.259 3.122 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
418 1 53 VAL H 1 82 VAL HA 1.800 . 3.500 2.495 2.019 3.123 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
419 1 54 ILE HA 1 83 LEU H 1.800 . 3.500 3.150 2.628 3.608 0.108 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
420 1 54 ILE HA 1 83 LEU HB3 1.800 . 5.000 3.425 2.902 3.685 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
421 1 54 ILE HA 1 83 LEU HB2 1.800 . 5.000 4.837 3.671 5.124 0.124 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
422 1 54 ILE HA 1 83 LEU HG 1.800 . 5.000 4.982 4.388 5.255 0.255 3 0 "[ . 1 . 2 . 3 . 4 . ]" 1
423 1 55 SER H 1 84 MET HA 1.800 . 5.000 2.741 1.822 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
424 1 55 SER QB 1 84 MET HA 1.800 . 5.000 4.280 3.751 4.562 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
425 1 56 ASP HA 1 85 VAL H 1.800 . 5.000 3.035 1.946 3.979 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
426 1 56 ASP HA 1 85 VAL HB 1.800 . 5.000 3.761 2.305 5.135 0.135 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
427 1 56 ASP HA 1 85 VAL MG1 1.800 . 5.000 3.681 2.168 4.223 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
428 1 56 ASP HA 1 85 VAL MG2 1.800 . 5.000 3.422 2.188 4.237 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
429 1 57 TRP HA 1 64 GLY HA3 1.800 . 5.000 3.633 3.007 4.913 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
430 1 57 TRP HA 1 64 GLY HA2 1.800 . 5.000 4.984 4.570 5.162 0.162 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
431 1 57 TRP HH2 1 65 LEU QD 1.800 . 5.000 2.362 1.988 2.861 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
432 1 57 TRP HZ2 1 65 LEU QD 1.800 . 5.000 3.131 2.109 3.726 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
433 1 57 TRP HZ3 1 65 LEU QD 1.800 . 5.000 3.187 2.274 3.819 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
434 1 57 TRP HB3 1 86 THR HA 1.800 . 5.000 4.284 2.372 5.104 0.104 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
435 1 57 TRP HB2 1 86 THR HA 1.800 . 5.000 3.994 2.665 5.025 0.025 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
436 1 57 TRP HB3 1 86 THR HB 1.800 . 5.000 3.779 2.343 5.024 0.024 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
437 1 57 TRP HB2 1 86 THR HB 1.800 . 5.000 2.969 2.325 4.836 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
438 1 57 TRP HH2 1 93 ASN HA 1.800 . 5.000 4.266 2.334 5.031 0.031 9 0 "[ . 1 . 2 . 3 . 4 . ]" 1
439 1 57 TRP HZ2 1 93 ASN HB3 1.800 . 5.000 4.047 2.993 5.101 0.101 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
440 1 57 TRP HZ2 1 93 ASN HB2 1.800 . 5.000 4.620 2.722 5.129 0.129 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
441 1 57 TRP HZ2 1 93 ASN HA 1.800 . 5.000 3.693 2.431 5.013 0.013 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
442 1 57 TRP HH2 1 96 ALA MB 1.800 . 5.000 2.998 2.052 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
443 1 57 TRP HZ3 1 97 ALA MB 1.800 . 5.000 2.393 2.020 4.047 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
444 1 57 TRP HH2 1 97 ALA H 1.800 . 3.500 3.285 1.849 3.560 0.060 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
445 1 58 ASN HA 1 63 ASP HB3 1.800 . 5.000 4.347 2.816 5.194 0.194 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
446 1 58 ASN HA 1 63 ASP HB2 1.800 . 5.000 4.705 3.260 5.150 0.150 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
447 1 60 PRO QB 1 61 ASN QD 1.800 . 5.000 2.298 1.817 3.449 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
448 1 60 PRO QG 1 61 ASN QD 1.800 . 5.000 3.641 2.818 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
449 1 63 ASP H 1 66 GLU H 1.800 . 5.000 4.438 3.702 5.016 0.016 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
450 1 63 ASP H 1 66 GLU QB 1.800 . 5.000 4.281 3.063 4.567 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
451 1 64 GLY HA3 1 67 LEU HB3 1.800 . 5.000 4.000 2.775 5.125 0.125 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
452 1 64 GLY HA3 1 67 LEU HB2 1.800 . 5.000 3.913 3.104 5.146 0.146 24 0 "[ . 1 . 2 . 3 . 4 . ]" 1
453 1 64 GLY HA2 1 67 LEU HB3 1.800 . 5.000 3.062 2.223 4.804 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
454 1 64 GLY HA2 1 67 LEU HB2 1.800 . 5.000 2.675 2.186 3.930 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
455 1 64 GLY HA3 1 67 LEU QD 1.800 . 5.000 3.352 2.914 3.782 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
456 1 64 GLY HA2 1 67 LEU QD 1.800 . 5.000 2.570 2.029 3.256 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
457 1 65 LEU H 1 66 GLU H 1.800 . 3.500 2.810 2.310 3.360 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
458 1 65 LEU H 1 67 LEU H 1.800 . 5.000 3.677 3.273 4.226 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
459 1 65 LEU QD 1 96 ALA MB 1.800 . 5.000 2.487 2.023 2.978 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
460 1 65 LEU QD 1 100 ALA MB 1.800 . 5.000 2.600 1.943 3.016 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
461 1 66 GLU H 1 66 GLU HB3 1.800 . 3.500 2.984 2.260 3.594 0.094 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
462 1 66 GLU H 1 66 GLU HB2 1.800 . 3.500 2.352 2.078 3.590 0.090 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
463 1 66 GLU H 1 67 LEU H 1.800 . 3.500 2.638 2.341 2.969 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
464 1 66 GLU HA 1 67 LEU H 1.800 . 5.000 3.452 3.327 3.562 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
465 1 66 GLU QB 1 67 LEU H 1.800 . 5.000 2.932 2.489 3.455 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
466 1 66 GLU HA 1 69 LYS H 1.800 . 5.000 3.704 3.134 4.331 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
467 1 66 GLU HA 1 69 LYS QB 1.800 . 5.000 2.524 2.117 2.978 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
468 1 67 LEU H 1 67 LEU HB3 1.800 . 3.500 2.805 1.998 3.561 0.061 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
469 1 67 LEU H 1 67 LEU HB2 1.800 . 3.500 2.421 2.000 3.128 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
470 1 67 LEU H 1 68 LEU H 1.800 . 2.700 2.682 2.440 2.795 0.095 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
471 1 67 LEU HA 1 68 LEU H 1.800 . 5.000 3.553 3.465 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
472 1 67 LEU HA 1 70 THR HB 1.800 . 5.000 3.656 2.496 5.008 0.008 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
473 1 68 LEU H 1 68 LEU HB3 1.800 . 3.500 2.719 2.055 3.636 0.136 39 0 "[ . 1 . 2 . 3 . 4 . ]" 1
474 1 68 LEU H 1 68 LEU HB2 1.800 . 3.500 2.605 2.019 3.496 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
475 1 68 LEU H 1 69 LYS H 1.800 . 3.500 2.766 2.319 3.229 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
476 1 68 LEU MD1 1 69 LYS H 1.800 . 5.000 3.960 3.020 4.330 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
477 1 68 LEU MD2 1 69 LYS H 1.800 . 5.000 3.738 2.471 4.358 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
478 1 68 LEU QB 1 71 ILE MD 1.800 . 5.000 3.675 3.330 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
479 1 68 LEU HA 1 71 ILE MD 1.800 . 5.000 2.175 2.045 2.355 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
480 1 68 LEU HA 1 71 ILE H 1.800 . 3.500 3.371 3.130 3.559 0.059 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
481 1 68 LEU HA 1 71 ILE HB 1.800 . 5.000 2.810 2.216 3.719 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
482 1 68 LEU QB 1 100 ALA MB 1.800 . 5.000 2.982 2.016 3.831 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
483 1 68 LEU QD 1 100 ALA MB 1.800 . 5.000 2.035 1.776 2.939 0.024 3 0 "[ . 1 . 2 . 3 . 4 . ]" 1
484 1 68 LEU QD 1 101 GLY QA 1.800 . 5.000 2.710 1.996 3.495 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
485 1 68 LEU QD 1 101 GLY H 1.800 . 5.000 2.459 1.553 3.442 0.247 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
486 1 68 LEU MD1 1 102 ALA H 1.800 . 5.000 2.491 1.715 3.065 0.085 24 0 "[ . 1 . 2 . 3 . 4 . ]" 1
487 1 68 LEU MD2 1 102 ALA H 1.800 . 5.000 2.449 1.646 3.448 0.154 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
488 1 68 LEU MD1 1 102 ALA HA 1.800 . 5.000 2.760 2.070 4.044 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
489 1 68 LEU MD2 1 102 ALA HA 1.800 . 5.000 2.955 2.140 3.975 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
490 1 68 LEU MD1 1 102 ALA MB 1.800 . 5.000 2.274 1.842 3.415 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
491 1 68 LEU MD2 1 102 ALA MB 1.800 . 5.000 2.375 1.858 3.415 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
492 1 68 LEU MD1 1 103 SER H 1.800 . 5.000 4.140 3.954 4.332 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
493 1 68 LEU MD2 1 103 SER H 1.800 . 5.000 4.143 3.890 4.421 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
494 1 69 LYS H 1 69 LYS QB 1.800 . 2.700 2.206 2.075 2.349 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
495 1 69 LYS HA 1 72 ARG H 1.800 . 3.500 3.362 2.942 3.546 0.046 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
496 1 69 LYS HA 1 72 ARG QB 1.800 . 5.000 2.761 2.244 4.218 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
497 1 69 LYS HA 1 100 ALA MB 1.800 . 5.000 2.864 2.099 4.053 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
498 1 70 THR H 1 71 ILE H 1.800 . 3.500 2.719 2.487 3.082 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
499 1 70 THR HB 1 71 ILE H 1.800 . 3.500 2.843 2.182 3.524 0.024 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
500 1 70 THR HA 1 73 ALA H 1.800 . 3.500 3.239 2.858 3.539 0.039 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
501 1 70 THR HA 1 73 ALA MB 1.800 . 5.000 2.461 2.100 3.334 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
502 1 71 ILE H 1 71 ILE HB 1.800 . 2.700 2.470 2.118 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
503 1 71 ILE H 1 72 ARG H 1.800 . 3.500 2.647 2.373 2.868 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
504 1 71 ILE HA 1 72 ARG H 1.800 . 5.000 3.517 3.371 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
505 1 71 ILE HA 1 74 ASP QB 1.800 . 5.000 3.856 2.591 4.532 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
506 1 71 ILE HA 1 74 ASP H 1.800 . 5.000 3.994 3.277 4.426 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
507 1 72 ARG HA 1 73 ALA H 1.800 . 5.000 3.464 3.232 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
508 1 72 ARG HB3 1 73 ALA H 1.800 . 5.000 3.162 2.244 4.356 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
509 1 72 ARG HB2 1 73 ALA H 1.800 . 5.000 3.843 2.931 4.493 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
510 1 72 ARG HA 1 74 ASP H 1.800 . 5.000 3.846 3.474 5.034 0.034 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
511 1 72 ARG HA 1 78 SER HA 1.800 . 5.000 3.061 2.330 4.939 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
512 1 73 ALA HA 1 74 ASP H 1.800 . 3.500 3.504 3.404 3.565 0.065 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
513 1 73 ALA MB 1 74 ASP H 1.800 . 3.500 2.754 2.258 2.919 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
514 1 74 ASP QB 1 77 MET H 1.800 . 5.000 3.287 1.790 4.338 0.010 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
515 1 76 ALA HA 1 77 MET H 1.800 . 5.000 3.325 2.201 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
516 1 77 MET H 1 78 SER H 1.800 . 2.700 2.410 1.790 2.777 0.077 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
517 1 77 MET HA 1 78 SER H 1.800 . 3.500 3.252 2.607 3.571 0.071 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
518 1 77 MET HA 1 80 LEU H 1.800 . 5.000 4.739 3.564 5.124 0.124 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
519 1 78 SER H 1 79 ALA H 1.800 . 5.000 3.452 2.331 4.625 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
520 1 79 ALA H 1 80 LEU H 1.800 . 2.700 2.197 1.718 2.830 0.130 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
521 1 79 ALA HA 1 80 LEU H 1.800 . 3.500 3.171 2.547 3.562 0.062 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
522 1 80 LEU H 1 80 LEU HB3 1.800 . 3.500 3.413 2.215 3.958 0.458 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
523 1 80 LEU H 1 80 LEU HB2 1.800 . 3.500 2.579 2.097 3.717 0.217 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
524 1 81 PRO HA 1 82 VAL H 1.800 . 3.500 2.192 2.083 2.310 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
525 1 81 PRO QB 1 82 VAL H 1.800 . 5.000 3.248 2.770 3.772 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
526 1 81 PRO QB 1 103 SER QB 1.800 . 5.000 3.430 2.282 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
527 1 82 VAL H 1 82 VAL HB 1.800 . 3.500 2.521 2.324 2.711 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
528 1 82 VAL H 1 83 LEU H 1.800 . 5.000 4.240 3.929 4.394 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
529 1 82 VAL HA 1 83 LEU H 1.800 . 3.500 2.217 2.147 2.310 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
530 1 82 VAL QG 1 83 LEU HA 1.800 . 5.000 3.408 3.253 3.601 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
531 1 82 VAL QG 1 84 MET HA 1.800 . 5.000 3.224 3.119 3.356 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
532 1 82 VAL HB 1 102 ALA HA 1.800 . 5.000 3.373 2.280 5.220 0.220 24 0 "[ . 1 . 2 . 3 . 4 . ]" 1
533 1 82 VAL H 1 103 SER QB 1.800 . 5.000 2.819 1.755 3.740 0.045 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
534 1 82 VAL HB 1 103 SER H 1.800 . 3.500 3.590 2.837 3.785 0.285 4 0 "[ . 1 . 2 . 3 . 4 . ]" 1
535 1 83 LEU H 1 83 LEU HB3 1.800 . 3.500 2.657 2.500 3.020 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
536 1 83 LEU H 1 83 LEU HB2 1.800 . 3.500 2.855 2.430 3.150 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
537 1 83 LEU HA 1 84 MET H 1.800 . 2.700 2.287 2.126 2.493 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
538 1 83 LEU HA 1 104 GLY H 1.800 . 3.500 3.133 2.390 3.646 0.146 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
539 1 83 LEU QD 1 104 GLY HA3 1.800 . 5.000 2.453 2.181 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
540 1 83 LEU QD 1 104 GLY HA2 1.800 . 5.000 3.286 2.904 3.868 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
541 1 83 LEU HG 1 105 TYR HA 1.800 . 5.000 4.426 3.983 5.091 0.091 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
542 1 83 LEU QD 1 105 TYR HA 1.800 . 5.000 2.543 2.183 2.970 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
543 1 83 LEU QD 1 105 TYR H 1.800 . 5.000 2.835 2.488 3.374 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
544 1 84 MET HA 1 85 VAL QG 1.800 . 5.000 3.247 3.049 3.497 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
545 1 84 MET HA 1 85 VAL H 1.800 . 2.700 2.330 2.145 2.521 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
546 1 84 MET QB 1 102 ALA MB 1.800 . 5.000 3.360 2.582 3.855 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
547 1 84 MET H 1 104 GLY H 1.800 . 5.000 3.591 2.698 4.131 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
548 1 84 MET H 1 105 TYR HA 1.800 . 3.500 3.385 3.123 3.729 0.229 24 0 "[ . 1 . 2 . 3 . 4 . ]" 1
549 1 85 VAL H 1 85 VAL HB 1.800 . 3.500 3.099 2.521 3.735 0.235 22 0 "[ . 1 . 2 . 3 . 4 . ]" 1
550 1 85 VAL HA 1 106 VAL QG 1.800 . 5.000 2.271 2.076 2.464 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
551 1 85 VAL HA 1 106 VAL H 1.800 . 3.500 2.729 2.204 3.212 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
552 1 85 VAL QG 1 106 VAL QG 1.800 . 5.000 1.990 1.830 2.370 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
553 1 85 VAL QG 1 110 PHE QD 1.800 . 6.000 3.287 2.578 3.668 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
554 1 85 VAL QG 1 110 PHE QE 1.800 . 5.000 2.117 1.991 2.202 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
555 1 86 THR HA 1 87 ALA H 1.800 . 5.000 2.486 2.182 3.062 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
556 1 86 THR HG1 1 87 ALA HA 1.800 . 5.000 3.703 3.316 4.066 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
557 1 86 THR MG 1 89 ALA HA 1.800 . 5.000 2.649 2.053 3.760 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
558 1 86 THR H 1 106 VAL QG 1.800 . 5.000 3.486 3.348 3.706 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
559 1 86 THR H 1 107 VAL HA 1.800 . 2.700 2.786 2.706 2.911 0.211 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
560 1 86 THR MG 1 107 VAL HA 1.800 . 5.000 2.876 2.248 3.975 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
561 1 86 THR H 1 108 LYS H 1.800 . 5.000 3.251 2.192 4.808 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
562 1 87 ALA HA 1 108 LYS H 1.800 . 3.500 3.041 2.114 3.569 0.069 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
563 1 87 ALA HA 1 108 LYS QG 1.800 . 5.000 2.778 2.270 3.625 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
564 1 87 ALA MB 1 108 LYS QE 1.800 . 5.000 2.713 1.959 3.515 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
565 1 87 ALA MB 1 108 LYS QG 1.800 . 5.000 2.629 2.123 3.407 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
566 1 89 ALA HA 1 94 ILE MD 1.800 . 5.000 3.375 2.239 4.031 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
567 1 89 ALA MB 1 94 ILE MD 1.800 . 5.000 2.109 1.870 2.676 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
568 1 89 ALA MB 1 105 TYR QD 1.800 . 5.000 3.770 3.552 3.934 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
569 1 89 ALA MB 1 105 TYR QE 1.800 . 5.000 2.308 2.054 2.679 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
570 1 89 ALA HA 1 105 TYR QE 1.800 . 5.000 4.168 2.929 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
571 1 90 LYS H 1 90 LYS HB3 1.800 . 3.500 3.189 2.499 3.612 0.112 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
572 1 90 LYS H 1 90 LYS HB2 1.800 . 3.500 2.416 2.104 3.208 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
573 1 90 LYS HB3 1 93 ASN H 1.800 . 5.000 3.184 1.839 4.528 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
574 1 90 LYS HB2 1 93 ASN H 1.800 . 5.000 3.884 2.687 5.016 0.016 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
575 1 90 LYS H 1 93 ASN HB3 1.800 . 5.000 3.779 2.361 4.994 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
576 1 90 LYS H 1 93 ASN HB2 1.800 . 5.000 3.502 1.796 5.042 0.042 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
577 1 90 LYS HB3 1 93 ASN QB 1.800 . 5.000 3.299 2.290 4.517 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
578 1 90 LYS HB2 1 93 ASN QB 1.800 . 5.000 3.104 2.295 4.383 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
579 1 91 LYS HA 1 94 ILE MD 1.800 . 5.000 3.175 2.089 4.257 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
580 1 91 LYS HA 1 94 ILE HB 1.800 . 5.000 3.291 2.389 5.065 0.065 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
581 1 92 GLU H 1 92 GLU HA 1.800 . 2.700 2.816 2.747 2.921 0.221 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
582 1 92 GLU H 1 93 ASN H 1.800 . 3.500 2.740 2.319 3.317 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
583 1 92 GLU HA 1 93 ASN H 1.800 . 5.000 3.496 3.336 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
584 1 92 GLU HA 1 95 ILE H 1.800 . 5.000 3.740 2.996 4.379 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
585 1 92 GLU HA 1 95 ILE MD 1.800 . 5.000 2.997 2.140 4.216 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
586 1 92 GLU HA 1 95 ILE HB 1.800 . 5.000 3.246 2.364 4.375 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
587 1 93 ASN H 1 93 ASN HB3 1.800 . 3.500 3.127 2.097 3.592 0.092 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
588 1 93 ASN H 1 93 ASN HB2 1.800 . 3.500 2.497 2.102 3.511 0.011 9 0 "[ . 1 . 2 . 3 . 4 . ]" 1
589 1 93 ASN H 1 94 ILE H 1.800 . 3.500 2.551 2.287 3.039 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
590 1 93 ASN HA 1 94 ILE H 1.800 . 3.500 3.513 3.334 3.575 0.075 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
591 1 93 ASN HB3 1 94 ILE H 1.800 . 5.000 3.302 2.491 4.200 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
592 1 93 ASN HB2 1 94 ILE H 1.800 . 5.000 3.326 1.891 4.519 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
593 1 93 ASN HA 1 96 ALA MB 1.800 . 5.000 2.862 2.062 4.026 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
594 1 94 ILE H 1 95 ILE H 1.800 . 3.500 2.643 2.285 3.083 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
595 1 94 ILE HA 1 95 ILE H 1.800 . 5.000 3.492 3.301 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
596 1 94 ILE HA 1 97 ALA H 1.800 . 5.000 3.878 3.290 4.252 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
597 1 94 ILE HA 1 97 ALA MB 1.800 . 5.000 3.264 2.512 4.029 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
598 1 94 ILE MD 1 105 TYR QD 1.800 . 5.000 3.436 2.365 4.080 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
599 1 94 ILE MD 1 105 TYR QE 1.800 . 5.000 2.740 2.218 3.553 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
600 1 94 ILE MG 1 105 TYR QD 1.800 . 5.000 2.616 2.138 4.069 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
601 1 94 ILE MG 1 105 TYR QE 1.800 . 5.000 3.155 2.562 3.877 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
602 1 94 ILE QG 1 105 TYR QD 1.800 . 5.000 3.651 2.583 4.191 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
603 1 94 ILE QG 1 105 TYR QE 1.800 . 5.000 3.459 2.374 4.244 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
604 1 95 ILE H 1 96 ALA H 1.800 . 3.500 2.652 2.250 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
605 1 95 ILE HA 1 96 ALA H 1.800 . 3.500 3.514 3.267 3.577 0.077 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
606 1 95 ILE HA 1 98 ALA H 1.800 . 3.500 3.503 3.295 3.613 0.113 34 0 "[ . 1 . 2 . 3 . 4 . ]" 1
607 1 95 ILE HA 1 98 ALA MB 1.800 . 5.000 2.686 2.281 4.055 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
608 1 95 ILE MG 1 99 GLN QE 1.800 . 5.000 3.009 1.738 3.669 0.062 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
609 1 95 ILE MG 1 99 GLN H 1.800 . 5.000 3.766 3.177 4.194 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
610 1 96 ALA H 1 97 ALA H 1.800 . 3.500 2.864 2.487 3.099 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
611 1 96 ALA MB 1 97 ALA H 1.800 . 3.500 2.448 1.914 2.901 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
612 1 96 ALA HA 1 97 ALA H 1.800 . 3.500 3.553 3.448 3.589 0.089 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
613 1 96 ALA H 1 98 ALA H 1.800 . 5.000 4.408 3.876 4.899 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
614 1 96 ALA HA 1 99 GLN HB3 1.800 . 5.000 3.761 2.323 5.023 0.023 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
615 1 96 ALA HA 1 99 GLN HB2 1.800 . 5.000 2.850 2.308 3.949 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
616 1 96 ALA HA 1 100 ALA H 1.800 . 5.000 4.934 4.402 5.061 0.061 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
617 1 97 ALA H 1 97 ALA MB 1.800 . 3.500 2.138 2.072 2.297 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
618 1 97 ALA H 1 98 ALA H 1.800 . 3.500 2.819 2.572 3.047 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
619 1 97 ALA HA 1 98 ALA H 1.800 . 5.000 3.576 3.549 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
620 1 97 ALA HA 1 100 ALA H 1.800 . 5.000 3.542 2.927 4.016 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
621 1 97 ALA HA 1 100 ALA MB 1.800 . 5.000 3.078 2.269 3.803 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
622 1 97 ALA MB 1 102 ALA H 1.800 . 5.000 4.033 3.629 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
623 1 98 ALA H 1 98 ALA HA 1.800 . 2.700 2.801 2.769 2.845 0.145 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
624 1 98 ALA H 1 99 GLN H 1.800 . 3.500 2.806 2.608 3.021 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
625 1 98 ALA HA 1 99 GLN H 1.800 . 5.000 3.548 3.488 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
626 1 98 ALA MB 1 100 ALA H 1.800 . 5.000 4.216 4.000 4.325 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
627 1 98 ALA HA 1 101 GLY H 1.800 . 5.000 3.753 2.206 5.166 0.166 24 0 "[ . 1 . 2 . 3 . 4 . ]" 1
628 1 98 ALA HA 1 102 ALA MB 1.800 . 5.000 3.585 2.450 4.460 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
629 1 99 GLN H 1 100 ALA H 1.800 . 2.700 2.640 2.454 2.757 0.057 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
630 1 100 ALA HA 1 101 GLY H 1.800 . 3.500 3.417 3.235 3.571 0.071 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
631 1 101 GLY H 1 101 GLY HA3 1.800 . 2.700 2.694 2.348 2.953 0.253 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
632 1 101 GLY H 1 101 GLY HA2 1.800 . 2.700 2.646 2.303 2.962 0.262 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
633 1 101 GLY H 1 102 ALA H 1.800 . 3.500 2.526 1.609 3.792 0.292 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
634 1 102 ALA HA 1 103 SER H 1.800 . 3.500 3.203 3.118 3.343 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
635 1 102 ALA HA 1 104 GLY H 1.800 . 5.000 4.286 3.315 5.276 0.276 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
636 1 102 ALA MB 1 104 GLY H 1.800 . 5.000 3.566 2.791 4.167 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
637 1 103 SER QB 1 122 ILE MG 1.800 . 5.000 3.168 2.333 3.675 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
638 1 103 SER QB 1 122 ILE MD 1.800 . 5.000 3.000 2.271 3.512 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
639 1 104 GLY HA3 1 105 TYR H 1.800 . 3.500 2.824 2.340 3.268 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
640 1 104 GLY HA2 1 105 TYR H 1.800 . 3.500 2.494 2.156 2.905 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
641 1 105 TYR QD 1 106 VAL HA 1.800 . 5.000 4.021 3.659 4.322 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
642 1 105 TYR QD 1 106 VAL H 1.800 . 5.000 2.859 2.062 3.831 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
643 1 105 TYR HA 1 106 VAL H 1.800 . 3.500 2.185 2.135 2.298 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
644 1 105 TYR QD 1 107 VAL HA 1.800 . 5.000 4.038 3.645 4.970 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
645 1 106 VAL H 1 107 VAL H 1.800 . 5.000 4.374 4.167 4.536 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
646 1 106 VAL HA 1 107 VAL H 1.800 . 2.700 2.223 2.163 2.330 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
647 1 106 VAL QG 1 110 PHE QD 1.800 . 5.000 2.044 1.895 2.307 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
648 1 106 VAL QG 1 110 PHE QE 1.800 . 5.000 2.554 2.146 3.108 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
649 1 106 VAL QG 1 110 PHE HB3 1.800 . 5.000 2.433 2.145 2.805 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
650 1 106 VAL QG 1 110 PHE HB2 1.800 . 5.000 3.194 2.871 3.456 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
651 1 106 VAL QG 1 118 LYS QE 1.800 . 5.000 2.650 2.121 3.295 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
652 1 106 VAL HB 1 118 LYS QE 1.800 . 5.000 3.207 2.225 4.362 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
653 1 106 VAL HB 1 118 LYS QG 1.800 . 5.000 3.599 2.305 4.564 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
654 1 107 VAL H 1 108 LYS H 1.800 . 5.000 4.446 4.124 4.706 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
655 1 107 VAL HA 1 108 LYS H 1.800 . 2.700 2.414 2.201 2.900 0.200 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
656 1 108 LYS HA 1 109 PRO HA 1.800 . 5.000 2.446 2.371 2.619 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
657 1 108 LYS QB 1 110 PHE QD 1.800 . 5.000 3.119 2.696 3.644 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
658 1 108 LYS HA 1 110 PHE H 1.800 . 3.500 3.046 2.320 3.529 0.029 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
659 1 108 LYS HA 1 110 PHE QE 1.800 . 5.000 4.080 3.650 4.621 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
660 1 108 LYS QB 1 110 PHE QE 1.800 . 5.000 3.011 2.493 3.612 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
661 1 108 LYS QB 1 110 PHE H 1.800 . 5.000 3.544 2.713 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
662 1 109 PRO HA 1 110 PHE H 1.800 . 2.700 2.345 2.219 2.489 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
663 1 109 PRO HB3 1 110 PHE H 1.800 . 5.000 3.512 3.188 3.945 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
664 1 109 PRO HB2 1 110 PHE H 1.800 . 5.000 3.261 2.832 3.799 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
665 1 110 PHE HA 1 111 THR H 1.800 . 2.700 2.331 2.234 2.655 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
666 1 110 PHE HB3 1 111 THR H 1.800 . 3.500 3.603 3.271 3.742 0.242 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
667 1 110 PHE HB2 1 111 THR H 1.800 . 3.500 2.510 1.817 2.677 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
668 1 110 PHE QD 1 115 LEU MD1 1.800 . 5.000 3.071 2.707 4.235 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
669 1 110 PHE QD 1 115 LEU MD2 1.800 . 5.000 3.664 2.525 4.075 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
670 1 110 PHE QD 1 115 LEU QB 1.800 . 5.000 2.573 2.277 3.379 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
671 1 110 PHE QE 1 115 LEU MD1 1.800 . 5.000 2.685 2.204 3.973 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
672 1 110 PHE QE 1 115 LEU MD2 1.800 . 5.000 3.042 2.290 4.063 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
673 1 110 PHE QD 1 115 LEU H 1.800 . 3.500 3.246 3.009 3.789 0.289 7 0 "[ . 1 . 2 . 3 . 4 . ]" 1
674 1 111 THR H 1 112 ALA H 1.800 . 5.000 4.567 4.395 4.606 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
675 1 111 THR HB 1 112 ALA H 1.800 . 3.500 3.496 3.322 3.592 0.092 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
676 1 111 THR HA 1 112 ALA H 1.800 . 2.700 2.354 2.300 2.545 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
677 1 111 THR HG1 1 112 ALA H 1.800 . 3.500 2.322 1.367 2.536 0.433 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
678 1 111 THR HA 1 113 ALA H 1.800 . 5.000 3.982 3.713 4.398 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
679 1 111 THR HB 1 113 ALA H 1.800 . 5.000 2.531 2.133 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
680 1 111 THR H 1 114 THR HB 1.800 . 3.500 2.557 1.725 3.518 0.075 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
681 1 111 THR HB 1 114 THR H 1.800 . 5.000 2.567 2.067 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
682 1 112 ALA H 1 112 ALA MB 1.800 . 3.500 2.164 2.098 2.287 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
683 1 112 ALA H 1 113 ALA H 1.800 . 3.500 2.828 2.612 2.921 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
684 1 112 ALA HA 1 113 ALA H 1.800 . 5.000 3.483 3.381 3.553 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
685 1 112 ALA HA 1 115 LEU H 1.800 . 3.500 3.673 3.612 3.723 0.223 9 0 "[ . 1 . 2 . 3 . 4 . ]" 1
686 1 112 ALA HA 1 115 LEU HB3 1.800 . 5.000 3.414 3.101 3.961 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
687 1 112 ALA HA 1 115 LEU HB2 1.800 . 5.000 3.285 2.909 3.654 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
688 1 112 ALA HA 1 116 GLU H 1.800 . 3.500 3.546 3.444 3.628 0.128 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
689 1 113 ALA H 1 113 ALA MB 1.800 . 3.500 2.189 2.056 2.299 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
690 1 113 ALA H 1 114 THR H 1.800 . 3.500 2.479 2.298 2.682 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
691 1 113 ALA HA 1 116 GLU H 1.800 . 3.500 3.638 3.593 3.694 0.194 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
692 1 113 ALA HA 1 116 GLU QB 1.800 . 5.000 2.323 2.265 2.495 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
693 1 114 THR HB 1 115 LEU H 1.800 . 3.500 2.425 2.062 2.687 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
694 1 114 THR HG1 1 115 LEU H 1.800 . 5.000 2.903 2.124 3.605 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
695 1 114 THR H 1 115 LEU H 1.800 . 3.500 2.889 2.760 3.018 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
696 1 114 THR HA 1 117 GLU H 1.800 . 5.000 3.501 3.172 3.910 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
697 1 114 THR HA 1 117 GLU QB 1.800 . 5.000 2.776 2.308 3.440 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
698 1 115 LEU H 1 116 GLU H 1.800 . 3.500 2.888 2.791 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
699 1 115 LEU HB3 1 116 GLU H 1.800 . 3.500 2.804 2.463 3.325 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
700 1 115 LEU HB2 1 116 GLU H 1.800 . 3.500 3.432 3.123 3.617 0.117 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
701 1 115 LEU H 1 117 GLU H 1.800 . 5.000 4.702 4.132 5.034 0.034 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
702 1 115 LEU HA 1 118 LYS HB3 1.800 . 5.000 4.240 3.010 4.998 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
703 1 115 LEU HA 1 118 LYS HB2 1.800 . 5.000 3.011 2.378 3.679 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
704 1 116 GLU H 1 116 GLU HA 1.800 . 2.700 2.838 2.793 2.876 0.176 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
705 1 116 GLU H 1 116 GLU QB 1.800 . 2.700 2.250 2.169 2.302 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
706 1 116 GLU HA 1 117 GLU H 1.800 . 3.500 3.560 3.515 3.580 0.080 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
707 1 116 GLU H 1 117 GLU H 1.800 . 3.500 2.858 2.651 3.055 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
708 1 116 GLU H 1 118 LYS H 1.800 . 5.000 4.246 3.739 4.940 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
709 1 116 GLU HA 1 119 LEU H 1.800 . 5.000 3.337 2.933 3.849 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
710 1 116 GLU HA 1 119 LEU HB3 1.800 . 5.000 3.234 2.334 4.777 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
711 1 116 GLU HA 1 119 LEU HB2 1.800 . 5.000 2.769 2.333 3.591 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
712 1 116 GLU HA 1 120 ASN H 1.800 . 5.000 3.893 3.215 4.622 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
713 1 117 GLU H 1 118 LYS H 1.800 . 3.500 2.966 2.686 3.213 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
714 1 117 GLU H 1 119 LEU H 1.800 . 5.000 4.318 3.911 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
715 1 117 GLU HA 1 120 ASN H 1.800 . 5.000 3.954 3.370 4.707 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
716 1 117 GLU HA 1 120 ASN HB3 1.800 . 5.000 4.168 3.050 5.019 0.019 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
717 1 117 GLU HA 1 120 ASN HB2 1.800 . 5.000 3.448 2.844 5.084 0.084 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
718 1 118 LYS H 1 119 LEU H 1.800 . 3.500 2.649 2.248 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
719 1 118 LYS HA 1 119 LEU H 1.800 . 5.000 3.553 3.482 3.591 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
720 1 118 LYS HB3 1 119 LEU H 1.800 . 3.500 3.215 2.339 3.552 0.052 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
721 1 118 LYS HB2 1 119 LEU H 1.800 . 3.500 2.872 2.158 3.531 0.031 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
722 1 118 LYS HA 1 121 LYS QB 1.800 . 5.000 2.686 2.239 3.471 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
723 1 118 LYS HA 1 121 LYS H 1.800 . 5.000 3.597 3.149 4.126 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
724 1 119 LEU HA 1 120 ASN H 1.800 . 5.000 3.574 3.486 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
725 1 119 LEU HB3 1 120 ASN H 1.800 . 3.500 2.414 1.856 3.393 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
726 1 119 LEU HB2 1 120 ASN H 1.800 . 3.500 3.212 1.835 3.563 0.063 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
727 1 119 LEU HA 1 122 ILE H 1.800 . 3.500 3.433 2.926 3.566 0.066 9 0 "[ . 1 . 2 . 3 . 4 . ]" 1
728 1 119 LEU HA 1 122 ILE HB 1.800 . 5.000 2.779 2.314 3.379 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
729 1 119 LEU MD1 1 123 PHE HZ 1.800 . 5.000 3.785 3.125 4.095 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
730 1 119 LEU MD2 1 123 PHE HZ 1.800 . 5.000 3.812 2.572 4.078 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
731 1 120 ASN H 1 120 ASN HB3 1.800 . 3.500 3.268 2.266 3.574 0.074 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
732 1 120 ASN H 1 120 ASN HB2 1.800 . 3.500 2.211 2.087 3.547 0.047 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
733 1 120 ASN H 1 121 LYS H 1.800 . 3.500 2.841 2.395 3.221 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
734 1 120 ASN HB3 1 121 LYS H 1.800 . 3.500 2.996 1.891 3.529 0.029 9 0 "[ . 1 . 2 . 3 . 4 . ]" 1
735 1 120 ASN HB2 1 121 LYS H 1.800 . 3.500 3.249 2.102 3.624 0.124 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
736 1 120 ASN HA 1 121 LYS H 1.800 . 3.500 3.533 3.445 3.574 0.074 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
737 1 120 ASN H 1 122 ILE H 1.800 . 5.000 4.170 3.783 4.667 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
738 1 120 ASN HA 1 123 PHE H 1.800 . 3.500 3.468 3.197 3.589 0.089 2 0 "[ . 1 . 2 . 3 . 4 . ]" 1
739 1 120 ASN HA 1 123 PHE HB3 1.800 . 5.000 4.299 3.817 4.834 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
740 1 120 ASN HA 1 123 PHE HB2 1.800 . 5.000 2.777 2.392 3.170 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
741 1 120 ASN HA 1 123 PHE QD 1.800 . 5.000 4.038 3.034 4.864 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
742 1 121 LYS H 1 122 ILE H 1.800 . 3.500 2.614 2.281 2.889 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
743 1 121 LYS HA 1 122 ILE H 1.800 . 3.500 3.510 3.452 3.564 0.064 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
744 1 121 LYS H 1 123 PHE H 1.800 . 5.000 4.226 3.846 4.604 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
745 1 122 ILE HA 1 123 PHE H 1.800 . 5.000 3.561 3.526 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
746 1 122 ILE HB 1 123 PHE H 1.800 . 2.700 2.685 2.101 2.763 0.063 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
747 1 122 ILE H 1 123 PHE H 1.800 . 3.500 2.463 2.296 2.678 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
748 1 122 ILE MG 1 123 PHE QD 1.800 . 5.000 2.831 2.213 3.949 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
749 1 122 ILE H 1 124 GLU H 1.800 . 5.000 3.808 3.609 4.018 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
750 1 122 ILE HA 1 125 LYS H 1.800 . 5.000 3.854 3.498 4.210 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
751 1 122 ILE HA 1 125 LYS QB 1.800 . 5.000 3.881 3.284 4.448 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
752 1 122 ILE MG 1 126 LEU QB 1.800 . 5.000 3.372 2.837 3.563 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
753 1 123 PHE H 1 123 PHE HB3 1.800 . 3.500 3.555 3.507 3.612 0.112 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
754 1 123 PHE H 1 123 PHE HB2 1.800 . 3.500 2.268 2.185 2.400 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
755 1 123 PHE H 1 124 GLU H 1.800 . 3.500 2.662 2.409 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
756 1 123 PHE QE 1 126 LEU QB 1.800 . 5.000 4.049 3.269 4.400 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
757 1 123 PHE HA 1 126 LEU H 1.800 . 5.000 2.622 2.290 2.887 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
758 1 123 PHE HA 1 126 LEU HB3 1.800 . 5.000 2.562 2.299 3.191 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
759 1 123 PHE HA 1 126 LEU HB2 1.800 . 5.000 2.333 2.293 2.461 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
760 1 123 PHE HA 1 128 MET H 1.800 . 5.000 4.761 3.929 5.062 0.062 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
761 1 124 GLU H 1 124 GLU HB3 1.800 . 3.500 2.923 2.253 3.602 0.102 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
762 1 124 GLU H 1 124 GLU HB2 1.800 . 3.500 2.443 2.109 3.534 0.034 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
763 1 124 GLU H 1 125 LYS H 1.800 . 2.700 2.451 2.162 2.715 0.015 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
764 1 124 GLU HA 1 127 GLY H 1.800 . 3.500 3.579 3.536 3.622 0.122 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
765 1 125 LYS H 1 126 LEU H 1.800 . 2.700 2.161 2.009 2.347 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
766 1 126 LEU HA 1 127 GLY H 1.800 . 3.500 3.480 3.380 3.537 0.037 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
767 1 126 LEU QB 1 128 MET QG 1.800 . 5.000 3.344 2.473 3.817 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
768 1 127 GLY H 1 127 GLY QA 1.800 . 2.500 2.253 2.231 2.465 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
769 1 127 GLY H 1 128 MET H 1.800 . 3.500 3.250 2.235 3.554 0.054 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
770 1 127 GLY QA 1 128 MET H 1.800 . 3.500 2.400 2.264 2.928 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
771 1 128 MET H 1 128 MET HB3 1.800 . 3.500 3.379 3.113 3.630 0.130 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
772 1 128 MET H 1 128 MET HB2 1.800 . 3.500 2.590 2.176 3.552 0.052 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
773 1 7 PHE H 1 31 ASN O 1.500 . 2.300 2.245 2.010 2.354 0.054 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
774 1 7 PHE N 1 31 ASN O 2.400 2.400 3.300 3.183 2.963 3.315 0.015 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
775 1 8 LEU H 1 52 PHE O 1.500 . 2.300 2.444 2.344 2.542 0.242 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
776 1 8 LEU N 1 52 PHE O 2.400 2.400 3.300 3.084 2.963 3.307 0.007 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
777 1 9 VAL H 1 33 GLU O 1.500 . 2.300 2.345 2.125 2.413 0.113 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
778 1 9 VAL N 1 33 GLU O 2.400 2.400 3.300 3.282 3.027 3.332 0.032 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
779 1 10 VAL H 1 54 ILE O 1.500 . 2.300 2.283 1.921 2.449 0.149 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
780 1 10 VAL N 1 54 ILE O 2.400 2.400 3.300 3.197 2.861 3.356 0.056 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
781 1 7 PHE O 1 33 GLU H 1.500 . 2.300 2.195 1.869 2.404 0.104 31 0 "[ . 1 . 2 . 3 . 4 . ]" 1
782 1 7 PHE O 1 33 GLU N 2.400 2.400 3.300 3.083 2.805 3.271 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
783 1 9 VAL O 1 35 ALA H 1.500 . 2.300 2.346 2.201 2.407 0.107 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
784 1 9 VAL O 1 35 ALA N 2.400 2.400 3.300 3.220 2.969 3.326 0.026 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
785 1 6 LYS O 1 52 PHE H 1.500 . 2.300 2.389 2.326 2.489 0.189 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
786 1 6 LYS O 1 52 PHE N 2.400 2.400 3.300 2.965 2.799 3.137 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
787 1 53 VAL H 1 81 PRO O 1.500 . 2.300 2.392 2.218 2.512 0.212 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
788 1 53 VAL N 1 81 PRO O 2.400 2.400 3.300 3.243 2.989 3.373 0.073 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
789 1 53 VAL O 1 83 LEU H 1.500 . 2.300 2.278 1.867 2.414 0.114 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
790 1 53 VAL O 1 83 LEU N 2.400 2.400 3.300 3.085 2.805 3.248 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
791 1 84 MET H 1 104 GLY O 1.500 . 2.300 2.253 1.889 2.507 0.207 30 0 "[ . 1 . 2 . 3 . 4 . ]" 1
792 1 84 MET N 1 104 GLY O 2.400 2.400 3.300 2.989 2.544 3.290 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
793 1 55 SER O 1 85 VAL H 1.500 . 2.300 2.114 1.783 2.398 0.098 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
794 1 55 SER O 1 85 VAL N 2.400 2.400 3.300 2.944 2.624 3.285 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
795 1 86 THR H 1 106 VAL O 1.500 . 2.300 2.304 2.062 2.390 0.090 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
796 1 86 THR N 1 106 VAL O 2.400 2.400 3.300 3.238 2.991 3.344 0.044 18 0 "[ . 1 . 2 . 3 . 4 . ]" 1
797 1 84 MET O 1 106 VAL H 1.500 . 2.300 2.309 2.043 2.468 0.168 10 0 "[ . 1 . 2 . 3 . 4 . ]" 1
798 1 84 MET O 1 106 VAL N 2.400 2.400 3.300 3.240 3.005 3.368 0.068 10 0 "[ . 1 . 2 . 3 . 4 . ]" 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 42
_Distance_constraint_stats_list.Viol_count 247
_Distance_constraint_stats_list.Viol_total 337.496
_Distance_constraint_stats_list.Viol_max 0.166
_Distance_constraint_stats_list.Viol_rms 0.0132
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0297
_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 17 ARG 0.165 0.054 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 19 ILE 0.229 0.037 7 0 "[ . 1 . 2 . 3 . 4 . ]"
1 20 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 21 ARG 0.267 0.054 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 23 LEU 0.229 0.037 7 0 "[ . 1 . 2 . 3 . 4 . ]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 25 LYS 0.102 0.027 18 0 "[ . 1 . 2 . 3 . 4 . ]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 39 VAL 2.390 0.166 19 0 "[ . 1 . 2 . 3 . 4 . ]"
1 41 ALA 0.033 0.011 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 43 ASN 2.390 0.166 19 0 "[ . 1 . 2 . 3 . 4 . ]"
1 45 LEU 0.033 0.011 31 0 "[ . 1 . 2 . 3 . 4 . ]"
1 64 GLY 0.912 0.089 39 0 "[ . 1 . 2 . 3 . 4 . ]"
1 65 LEU 0.206 0.083 37 0 "[ . 1 . 2 . 3 . 4 . ]"
1 66 GLU 0.381 0.046 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 68 LEU 1.910 0.093 28 0 "[ . 1 . 2 . 3 . 4 . ]"
1 69 LYS 0.206 0.083 37 0 "[ . 1 . 2 . 3 . 4 . ]"
1 70 THR 0.381 0.046 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 72 ARG 0.998 0.093 28 0 "[ . 1 . 2 . 3 . 4 . ]"
1 111 THR 0.396 0.047 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 112 ALA 0.135 0.059 25 0 "[ . 1 . 2 . 3 . 4 . ]"
1 113 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 114 THR 0.492 0.055 40 0 "[ . 1 . 2 . 3 . 4 . ]"
1 115 LEU 0.545 0.047 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 116 GLU 0.353 0.086 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 117 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 118 LYS 1.018 0.055 40 0 "[ . 1 . 2 . 3 . 4 . ]"
1 119 LEU 0.153 0.046 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 120 ASN 0.218 0.086 2 0 "[ . 1 . 2 . 3 . 4 . ]"
1 122 ILE 0.526 0.053 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 123 PHE 0.004 0.004 16 0 "[ . 1 . 2 . 3 . 4 . ]"
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 17 ARG O 1 21 ARG H 1.500 . 2.300 2.098 1.784 2.354 0.054 45 0 "[ . 1 . 2 . 3 . 4 . ]" 2
2 1 17 ARG O 1 21 ARG N 2.400 2.400 3.300 3.004 2.600 3.252 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
3 1 19 ILE O 1 23 LEU H 1.500 . 2.300 2.180 1.915 2.337 0.037 7 0 "[ . 1 . 2 . 3 . 4 . ]" 2
4 1 19 ILE O 1 23 LEU N 2.400 2.400 3.300 3.127 2.872 3.299 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
5 1 20 VAL O 1 24 LEU H 1.500 . 2.300 1.881 1.801 2.098 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
6 1 20 VAL O 1 24 LEU N 2.400 2.400 3.300 2.831 2.695 3.038 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
7 1 21 ARG O 1 25 LYS H 1.500 . 2.300 2.170 1.985 2.327 0.027 18 0 "[ . 1 . 2 . 3 . 4 . ]" 2
8 1 21 ARG O 1 25 LYS N 2.400 2.400 3.300 3.107 2.827 3.296 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
9 1 22 ASN O 1 26 GLU H 1.500 . 2.300 1.814 1.740 1.992 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
10 1 22 ASN O 1 26 GLU N 2.400 2.400 3.300 2.703 2.573 2.843 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
11 1 37 ASP O 1 41 ALA H 1.500 . 2.300 1.832 1.599 2.130 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
12 1 37 ASP O 1 41 ALA N 2.400 2.400 3.300 2.784 2.538 3.084 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
13 1 38 GLY O 1 42 LEU H 1.500 . 2.300 1.836 1.723 2.244 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
14 1 38 GLY O 1 42 LEU N 2.400 2.400 3.300 2.735 2.430 3.094 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
15 1 39 VAL O 1 43 ASN H 1.500 . 2.300 2.348 2.189 2.466 0.166 19 0 "[ . 1 . 2 . 3 . 4 . ]" 2
16 1 39 VAL O 1 43 ASN N 2.400 2.400 3.300 3.244 3.101 3.321 0.021 25 0 "[ . 1 . 2 . 3 . 4 . ]" 2
17 1 41 ALA O 1 45 LEU H 1.500 . 2.300 1.826 1.610 2.311 0.011 31 0 "[ . 1 . 2 . 3 . 4 . ]" 2
18 1 41 ALA O 1 45 LEU N 2.400 2.400 3.300 2.542 2.390 2.983 0.010 30 0 "[ . 1 . 2 . 3 . 4 . ]" 2
19 1 64 GLY O 1 68 LEU H 1.500 . 2.300 2.168 1.750 2.389 0.089 39 0 "[ . 1 . 2 . 3 . 4 . ]" 2
20 1 64 GLY O 1 68 LEU N 2.400 2.400 3.300 3.067 2.537 3.347 0.047 31 0 "[ . 1 . 2 . 3 . 4 . ]" 2
21 1 65 LEU O 1 69 LYS H 1.500 . 2.300 2.049 1.658 2.383 0.083 37 0 "[ . 1 . 2 . 3 . 4 . ]" 2
22 1 65 LEU O 1 69 LYS N 2.400 2.400 3.300 2.939 2.527 3.265 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
23 1 66 GLU O 1 70 THR H 1.500 . 2.300 2.187 1.813 2.346 0.046 13 0 "[ . 1 . 2 . 3 . 4 . ]" 2
24 1 66 GLU O 1 70 THR N 2.400 2.400 3.300 3.065 2.654 3.296 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
25 1 68 LEU O 1 72 ARG H 1.500 . 2.300 2.223 1.765 2.393 0.093 28 0 "[ . 1 . 2 . 3 . 4 . ]" 2
26 1 68 LEU O 1 72 ARG N 2.400 2.400 3.300 3.059 2.632 3.317 0.017 19 0 "[ . 1 . 2 . 3 . 4 . ]" 2
27 1 111 THR O 1 115 LEU H 1.500 . 2.300 2.160 1.804 2.347 0.047 5 0 "[ . 1 . 2 . 3 . 4 . ]" 2
28 1 111 THR O 1 115 LEU N 2.400 2.400 3.300 2.978 2.622 3.165 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
29 1 112 ALA O 1 116 GLU H 1.500 . 2.300 2.034 1.820 2.359 0.059 25 0 "[ . 1 . 2 . 3 . 4 . ]" 2
30 1 112 ALA O 1 116 GLU N 2.400 2.400 3.300 2.871 2.624 3.186 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
31 1 113 ALA O 1 117 GLU H 1.500 . 2.300 1.920 1.786 2.291 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
32 1 113 ALA O 1 117 GLU N 2.400 2.400 3.300 2.858 2.624 3.211 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
33 1 114 THR O 1 118 LYS H 1.500 . 2.300 2.228 1.916 2.355 0.055 40 0 "[ . 1 . 2 . 3 . 4 . ]" 2
34 1 114 THR O 1 118 LYS N 2.400 2.400 3.300 3.140 2.880 3.293 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
35 1 115 LEU O 1 119 LEU H 1.500 . 2.300 2.058 1.768 2.346 0.046 36 0 "[ . 1 . 2 . 3 . 4 . ]" 2
36 1 115 LEU O 1 119 LEU N 2.400 2.400 3.300 2.956 2.661 3.265 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
37 1 116 GLU O 1 120 ASN H 1.500 . 2.300 2.064 1.783 2.386 0.086 2 0 "[ . 1 . 2 . 3 . 4 . ]" 2
38 1 116 GLU O 1 120 ASN N 2.400 2.400 3.300 2.968 2.692 3.283 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
39 1 118 LYS O 1 122 ILE H 1.500 . 2.300 2.221 1.900 2.353 0.053 45 0 "[ . 1 . 2 . 3 . 4 . ]" 2
40 1 118 LYS O 1 122 ILE N 2.400 2.400 3.300 3.022 2.595 3.260 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
41 1 119 LEU O 1 123 PHE H 1.500 . 2.300 1.904 1.675 2.304 0.004 16 0 "[ . 1 . 2 . 3 . 4 . ]" 2
42 1 119 LEU O 1 123 PHE N 2.400 2.400 3.300 2.848 2.633 3.263 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
stop_
save_
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