NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
532025 |
2lox   |
18229 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lox
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 1427
_Distance_constraint_stats_list.Viol_count 1854
_Distance_constraint_stats_list.Viol_total 2116.205
_Distance_constraint_stats_list.Viol_max 0.950
_Distance_constraint_stats_list.Viol_rms 0.0261
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0571
_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 PRO 0.517 0.122 1 0 "[ . 1 . 2]"
1 2 SER 0.517 0.122 1 0 "[ . 1 . 2]"
1 3 HIS 0.003 0.003 9 0 "[ . 1 . 2]"
1 4 SER 0.153 0.026 13 0 "[ . 1 . 2]"
1 5 GLY 1.179 0.069 7 0 "[ . 1 . 2]"
1 6 ALA 0.830 0.042 14 0 "[ . 1 . 2]"
1 7 ALA 0.315 0.071 10 0 "[ . 1 . 2]"
1 8 ILE 0.099 0.040 3 0 "[ . 1 . 2]"
1 9 PHE 0.922 0.059 11 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 1.080 0.067 7 0 "[ . 1 . 2]"
1 13 SER 1.028 0.067 7 0 "[ . 1 . 2]"
1 14 GLY 0.004 0.004 6 0 "[ . 1 . 2]"
1 15 ILE 1.240 0.056 15 0 "[ . 1 . 2]"
1 16 ILE 3.105 0.195 2 0 "[ . 1 . 2]"
1 17 ALA 0.503 0.040 10 0 "[ . 1 . 2]"
1 18 ILE 0.658 0.073 13 0 "[ . 1 . 2]"
1 19 ASN 0.009 0.005 19 0 "[ . 1 . 2]"
1 20 GLU 1.040 0.062 11 0 "[ . 1 . 2]"
1 21 ASP 0.167 0.023 9 0 "[ . 1 . 2]"
1 22 VAL 1.101 0.048 9 0 "[ . 1 . 2]"
1 23 SER 0.524 0.035 9 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.397 0.060 14 0 "[ . 1 . 2]"
1 26 GLU 0.950 0.062 11 0 "[ . 1 . 2]"
1 27 LEU 1.797 0.118 10 0 "[ . 1 . 2]"
1 28 THR 1.602 0.112 20 0 "[ . 1 . 2]"
1 29 TRP 7.093 0.210 6 0 "[ . 1 . 2]"
1 30 ARG 1.076 0.084 2 0 "[ . 1 . 2]"
1 31 SER 0.081 0.014 5 0 "[ . 1 . 2]"
1 32 THR 2.922 0.088 6 0 "[ . 1 . 2]"
1 33 ASP 3.346 0.088 6 0 "[ . 1 . 2]"
1 34 GLY 0.067 0.012 14 0 "[ . 1 . 2]"
1 35 ASP 1.429 0.072 2 0 "[ . 1 . 2]"
1 36 LYS 1.346 0.072 2 0 "[ . 1 . 2]"
1 37 VAL 3.168 0.112 20 0 "[ . 1 . 2]"
1 38 HIS 0.081 0.014 5 0 "[ . 1 . 2]"
1 39 THR 0.208 0.025 4 0 "[ . 1 . 2]"
1 40 VAL 0.809 0.085 12 0 "[ . 1 . 2]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 3.454 0.156 4 0 "[ . 1 . 2]"
1 43 SER 2.207 0.124 16 0 "[ . 1 . 2]"
1 44 THR 2.920 0.146 9 0 "[ . 1 . 2]"
1 45 ILE 3.646 0.124 16 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 1.274 0.147 9 0 "[ . 1 . 2]"
1 49 GLN 0.298 0.033 4 0 "[ . 1 . 2]"
1 50 ALA 4.429 0.190 13 0 "[ . 1 . 2]"
1 51 THR 0.287 0.080 4 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.303 0.029 14 0 "[ . 1 . 2]"
1 55 SER 1.853 0.100 4 0 "[ . 1 . 2]"
1 56 GLU 0.206 0.022 6 0 "[ . 1 . 2]"
1 57 LYS 2.126 0.117 11 0 "[ . 1 . 2]"
1 58 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 MET 14.707 0.950 9 17 "[********+1****. *-**]"
1 60 LEU 4.791 0.190 13 0 "[ . 1 . 2]"
1 61 ARG 0.406 0.039 1 0 "[ . 1 . 2]"
1 62 LEU 3.206 0.118 10 0 "[ . 1 . 2]"
1 63 ILE 0.790 0.098 19 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 0.042 0.018 5 0 "[ . 1 . 2]"
1 66 VAL 0.363 0.034 10 0 "[ . 1 . 2]"
1 67 ASP 0.095 0.039 10 0 "[ . 1 . 2]"
1 68 GLU 0.395 0.044 17 0 "[ . 1 . 2]"
1 69 SER 1.027 0.056 16 0 "[ . 1 . 2]"
1 70 LYS 0.661 0.056 16 0 "[ . 1 . 2]"
1 71 LYS 0.357 0.032 20 0 "[ . 1 . 2]"
1 72 ARG 0.534 0.032 20 0 "[ . 1 . 2]"
1 73 LYS 0.023 0.011 9 0 "[ . 1 . 2]"
1 74 ASP 1.099 0.125 10 0 "[ . 1 . 2]"
1 75 ASN 2.134 0.125 10 0 "[ . 1 . 2]"
1 76 GLU 1.066 0.081 10 0 "[ . 1 . 2]"
1 77 GLY 0.024 0.011 8 0 "[ . 1 . 2]"
1 78 ASN 0.460 0.110 19 0 "[ . 1 . 2]"
1 79 GLU 0.452 0.110 19 0 "[ . 1 . 2]"
1 80 VAL 3.886 0.184 12 0 "[ . 1 . 2]"
1 81 VAL 1.139 0.155 9 0 "[ . 1 . 2]"
1 82 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LYS 0.003 0.003 16 0 "[ . 1 . 2]"
1 84 PRO 0.223 0.034 10 0 "[ . 1 . 2]"
1 85 GLN 0.007 0.007 5 0 "[ . 1 . 2]"
1 86 ARG 0.424 0.098 19 0 "[ . 1 . 2]"
1 87 HIS 0.681 0.035 7 0 "[ . 1 . 2]"
1 88 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.377 0.071 10 0 "[ . 1 . 2]"
1 90 SER 0.806 0.075 4 0 "[ . 1 . 2]"
1 91 PHE 1.050 0.084 4 0 "[ . 1 . 2]"
1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASN 2.481 0.093 12 0 "[ . 1 . 2]"
1 94 ARG 1.258 0.072 4 0 "[ . 1 . 2]"
1 95 THR 6.199 0.150 4 0 "[ . 1 . 2]"
1 96 VAL 2.075 0.093 12 0 "[ . 1 . 2]"
1 97 MET 0.903 0.072 4 0 "[ . 1 . 2]"
1 98 ASP 2.662 0.078 18 0 "[ . 1 . 2]"
1 99 ASN 1.608 0.078 18 0 "[ . 1 . 2]"
1 100 ILE 0.160 0.028 1 0 "[ . 1 . 2]"
1 101 LYS 0.488 0.142 14 0 "[ . 1 . 2]"
1 102 MET 0.938 0.084 3 0 "[ . 1 . 2]"
1 103 THR 2.345 0.097 8 0 "[ . 1 . 2]"
1 104 LEU 1.766 0.156 4 0 "[ . 1 . 2]"
1 105 GLN 0.225 0.088 7 0 "[ . 1 . 2]"
1 106 GLN 0.983 0.097 8 0 "[ . 1 . 2]"
1 107 ILE 4.777 0.325 15 0 "[ . 1 . 2]"
1 108 ILE 2.706 0.119 1 0 "[ . 1 . 2]"
1 109 SER 3.537 0.119 1 0 "[ . 1 . 2]"
1 110 ARG 2.157 0.062 13 0 "[ . 1 . 2]"
1 111 TYR 6.566 0.325 15 0 "[ . 1 . 2]"
1 112 LYS 3.726 0.080 11 0 "[ . 1 . 2]"
1 113 ASP 2.806 0.069 1 0 "[ . 1 . 2]"
1 114 ALA 5.140 0.104 1 0 "[ . 1 . 2]"
1 115 ASP 0.406 0.032 10 0 "[ . 1 . 2]"
2 22 ASP 0.002 0.001 6 0 "[ . 1 . 2]"
2 23 LEU 0.002 0.001 6 0 "[ . 1 . 2]"
2 24 GLU 0.330 0.083 17 0 "[ . 1 . 2]"
2 25 VAL 0.067 0.011 17 0 "[ . 1 . 2]"
2 26 LEU 14.146 0.950 9 17 "[********+1****. *-**]"
2 27 SER 0.865 0.119 8 0 "[ . 1 . 2]"
2 28 GLU 4.569 0.194 4 0 "[ . 1 . 2]"
2 29 GLU 4.391 0.194 4 0 "[ . 1 . 2]"
2 30 LEU 0.840 0.119 8 0 "[ . 1 . 2]"
2 31 PHE 0.078 0.063 4 0 "[ . 1 . 2]"
2 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 VAL 1.840 0.147 9 0 "[ . 1 . 2]"
2 35 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 THR 0.312 0.082 13 0 "[ . 1 . 2]"
2 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 SER 0.439 0.108 18 0 "[ . 1 . 2]"
2 39 GLN 0.439 0.108 18 0 "[ . 1 . 2]"
2 40 ILE 0.118 0.030 20 0 "[ . 1 . 2]"
2 41 SER 0.118 0.030 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 PRO HA 1 2 SER H 3.400 . 3.400 2.759 2.149 3.522 0.122 1 0 "[ . 1 . 2]" 1
2 1 1 PRO QB 1 2 SER H 5.600 . 5.600 3.588 2.674 3.958 . 0 0 "[ . 1 . 2]" 1
3 1 1 PRO QG 1 2 SER H 5.600 . 5.600 4.269 2.393 4.930 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER H 1 2 SER QB 3.808 . 3.808 2.575 2.223 3.044 . 0 0 "[ . 1 . 2]" 1
5 1 1 PRO HA 1 4 SER H 5.000 . 5.000 4.118 3.931 4.454 . 0 0 "[ . 1 . 2]" 1
6 1 2 SER HA 1 4 SER H 5.000 . 5.000 3.629 3.498 3.999 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER H 1 4 SER H 5.000 . 5.000 3.924 3.605 4.461 . 0 0 "[ . 1 . 2]" 1
8 1 3 HIS HA 1 4 SER H 3.400 . 3.400 3.091 2.960 3.403 0.003 9 0 "[ . 1 . 2]" 1
9 1 4 SER H 1 4 SER QB 3.808 . 3.808 3.306 3.234 3.350 . 0 0 "[ . 1 . 2]" 1
10 1 4 SER H 1 5 GLY H 5.000 . 5.000 4.328 4.163 4.425 . 0 0 "[ . 1 . 2]" 1
11 1 4 SER H 1 17 ALA HA 5.000 . 5.000 4.503 4.333 4.716 . 0 0 "[ . 1 . 2]" 1
12 1 4 SER H 1 18 ILE H 5.000 . 5.000 4.138 4.026 4.494 . 0 0 "[ . 1 . 2]" 1
13 1 4 SER H 1 100 ILE MD 4.080 . 4.080 3.201 3.043 3.423 . 0 0 "[ . 1 . 2]" 1
14 1 4 SER HA 1 5 GLY H 2.800 . 2.800 2.280 2.138 2.374 . 0 0 "[ . 1 . 2]" 1
15 1 4 SER QB 1 5 GLY H 3.808 . 3.808 2.627 2.461 3.021 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLY H 1 15 ILE HA 5.000 . 5.000 5.004 4.912 5.056 0.056 15 0 "[ . 1 . 2]" 1
17 1 5 GLY H 1 16 ILE HA 5.000 . 5.000 4.768 4.645 4.843 . 0 0 "[ . 1 . 2]" 1
18 1 5 GLY H 1 16 ILE HB 5.000 . 5.000 4.120 3.955 4.233 . 0 0 "[ . 1 . 2]" 1
19 1 5 GLY H 1 17 ALA HA 5.000 . 5.000 3.014 2.927 3.112 . 0 0 "[ . 1 . 2]" 1
20 1 5 GLY H 1 17 ALA MB 5.600 . 5.600 3.572 3.432 3.746 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLY H 1 96 VAL QG 5.600 . 5.600 4.107 3.974 4.163 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLY H 1 100 ILE MD 6.000 . 6.000 2.646 2.578 2.752 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLY QA 1 6 ALA H 3.136 . 3.136 2.169 2.141 2.323 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLY H 1 6 ALA H 5.000 . 5.000 4.099 4.013 4.361 . 0 0 "[ . 1 . 2]" 1
25 1 6 ALA H 1 6 ALA MB 3.136 . 3.136 2.237 2.178 2.435 . 0 0 "[ . 1 . 2]" 1
26 1 6 ALA H 1 15 ILE HA 5.000 . 5.000 4.370 4.299 4.636 . 0 0 "[ . 1 . 2]" 1
27 1 6 ALA H 1 16 ILE H 5.000 . 5.000 3.993 3.966 4.025 . 0 0 "[ . 1 . 2]" 1
28 1 6 ALA H 1 96 VAL HB 5.000 . 5.000 4.114 3.234 4.462 . 0 0 "[ . 1 . 2]" 1
29 1 6 ALA H 1 100 ILE MD 6.000 . 6.000 4.616 4.376 4.740 . 0 0 "[ . 1 . 2]" 1
30 1 6 ALA HA 1 7 ALA H 2.800 . 2.800 2.191 2.137 2.237 . 0 0 "[ . 1 . 2]" 1
31 1 6 ALA H 1 7 ALA H 5.000 . 5.000 4.575 4.368 4.605 . 0 0 "[ . 1 . 2]" 1
32 1 7 ALA H 1 15 ILE HA 3.400 . 3.400 2.794 2.737 2.884 . 0 0 "[ . 1 . 2]" 1
33 1 7 ALA H 1 15 ILE QG 6.000 . 6.000 5.351 5.329 5.361 . 0 0 "[ . 1 . 2]" 1
34 1 7 ALA H 1 16 ILE HB 5.000 . 5.000 3.600 3.263 3.857 . 0 0 "[ . 1 . 2]" 1
35 1 7 ALA H 1 16 ILE H 5.000 . 5.000 3.098 2.844 3.292 . 0 0 "[ . 1 . 2]" 1
36 1 7 ALA H 1 29 TRP HD1 5.000 . 5.000 3.232 3.116 3.424 . 0 0 "[ . 1 . 2]" 1
37 1 7 ALA H 1 29 TRP HE1 5.000 . 5.000 3.183 3.086 3.345 . 0 0 "[ . 1 . 2]" 1
38 1 7 ALA HA 1 8 ILE H 3.400 . 3.400 2.498 2.476 2.506 . 0 0 "[ . 1 . 2]" 1
39 1 8 ILE H 1 8 ILE HB 3.400 . 3.400 2.579 2.531 2.616 . 0 0 "[ . 1 . 2]" 1
40 1 8 ILE H 1 8 ILE MD 4.080 . 4.080 2.515 2.409 2.912 . 0 0 "[ . 1 . 2]" 1
41 1 8 ILE H 1 8 ILE QG 4.080 . 4.080 3.017 2.638 3.124 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE H 1 90 SER QB 5.600 . 5.600 3.129 2.849 3.273 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE H 1 91 PHE HA 5.000 . 5.000 3.707 3.561 3.994 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE H 1 91 PHE QE 5.600 . 5.600 4.978 4.686 5.026 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE HA 1 9 PHE H 2.800 . 2.800 2.161 2.157 2.174 . 0 0 "[ . 1 . 2]" 1
46 1 8 ILE HB 1 9 PHE H 5.000 . 5.000 4.177 4.094 4.238 . 0 0 "[ . 1 . 2]" 1
47 1 8 ILE MD 1 9 PHE H 6.000 . 6.000 3.788 3.746 3.819 . 0 0 "[ . 1 . 2]" 1
48 1 8 ILE QG 1 9 PHE H 6.000 . 6.000 4.661 4.570 4.786 . 0 0 "[ . 1 . 2]" 1
49 1 8 ILE MG 1 9 PHE H 4.080 . 4.080 2.671 2.559 2.783 . 0 0 "[ . 1 . 2]" 1
50 1 8 ILE H 1 9 PHE H 5.000 . 5.000 4.445 4.400 4.480 . 0 0 "[ . 1 . 2]" 1
51 1 9 PHE H 1 9 PHE QD 5.600 . 5.600 4.297 4.278 4.312 . 0 0 "[ . 1 . 2]" 1
52 1 9 PHE H 1 10 GLU H 5.000 . 5.000 4.086 4.055 4.140 . 0 0 "[ . 1 . 2]" 1
53 1 9 PHE H 1 12 VAL HB 5.000 . 5.000 3.711 3.590 3.766 . 0 0 "[ . 1 . 2]" 1
54 1 9 PHE H 1 12 VAL H 3.400 . 3.400 3.391 3.187 3.417 0.017 20 0 "[ . 1 . 2]" 1
55 1 9 PHE H 1 13 SER HA 5.000 . 5.000 3.502 3.353 3.573 . 0 0 "[ . 1 . 2]" 1
56 1 9 PHE H 1 14 GLY H 5.000 . 5.000 3.798 3.474 4.447 . 0 0 "[ . 1 . 2]" 1
57 1 9 PHE H 1 29 TRP HD1 5.000 . 5.000 5.039 5.001 5.059 0.059 11 0 "[ . 1 . 2]" 1
58 1 9 PHE H 1 29 TRP HE1 5.000 . 5.000 3.077 3.006 3.122 . 0 0 "[ . 1 . 2]" 1
59 1 9 PHE H 1 29 TRP HH2 5.000 . 5.000 3.953 3.869 4.274 . 0 0 "[ . 1 . 2]" 1
60 1 9 PHE H 1 29 TRP HZ2 3.400 . 3.400 2.375 2.256 2.658 . 0 0 "[ . 1 . 2]" 1
61 1 9 PHE H 1 89 PHE QD 5.600 . 5.600 4.922 4.599 5.022 . 0 0 "[ . 1 . 2]" 1
62 1 8 ILE MG 1 10 GLU H 4.080 . 4.080 3.450 3.438 3.463 . 0 0 "[ . 1 . 2]" 1
63 1 9 PHE HA 1 10 GLU H 3.400 . 3.400 2.125 2.115 2.146 . 0 0 "[ . 1 . 2]" 1
64 1 9 PHE QD 1 10 GLU H 3.808 . 3.808 3.301 2.162 3.435 . 0 0 "[ . 1 . 2]" 1
65 1 10 GLU H 1 10 GLU QB 3.808 . 3.808 3.244 3.159 3.346 . 0 0 "[ . 1 . 2]" 1
66 1 10 GLU H 1 10 GLU QG 3.808 . 3.808 3.046 2.781 3.255 . 0 0 "[ . 1 . 2]" 1
67 1 10 GLU H 1 11 LYS H 3.400 . 3.400 2.723 2.694 2.895 . 0 0 "[ . 1 . 2]" 1
68 1 8 ILE MG 1 11 LYS H 4.080 . 4.080 2.561 2.382 2.698 . 0 0 "[ . 1 . 2]" 1
69 1 9 PHE HA 1 11 LYS H 5.000 . 5.000 4.216 4.099 4.364 . 0 0 "[ . 1 . 2]" 1
70 1 10 GLU HA 1 11 LYS H 3.400 . 3.400 2.665 2.600 2.728 . 0 0 "[ . 1 . 2]" 1
71 1 10 GLU QG 1 11 LYS H 5.600 . 5.600 4.569 4.442 4.791 . 0 0 "[ . 1 . 2]" 1
72 1 11 LYS H 1 11 LYS QG 3.808 . 3.808 2.994 2.616 3.401 . 0 0 "[ . 1 . 2]" 1
73 1 8 ILE HA 1 12 VAL H 5.000 . 5.000 4.679 4.580 4.776 . 0 0 "[ . 1 . 2]" 1
74 1 8 ILE MG 1 12 VAL H 4.080 . 4.080 2.873 2.716 2.966 . 0 0 "[ . 1 . 2]" 1
75 1 9 PHE HA 1 12 VAL H 5.000 . 5.000 4.584 4.490 4.632 . 0 0 "[ . 1 . 2]" 1
76 1 9 PHE QD 1 12 VAL H 5.600 . 5.600 4.771 4.657 5.040 . 0 0 "[ . 1 . 2]" 1
77 1 10 GLU HA 1 12 VAL H 5.000 . 5.000 4.116 4.056 4.219 . 0 0 "[ . 1 . 2]" 1
78 1 10 GLU QB 1 12 VAL H 5.600 . 5.600 3.464 3.400 3.535 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLU H 1 12 VAL H 5.000 . 5.000 3.946 3.837 4.016 . 0 0 "[ . 1 . 2]" 1
80 1 11 LYS HA 1 12 VAL H 3.400 . 3.400 3.335 3.303 3.371 . 0 0 "[ . 1 . 2]" 1
81 1 11 LYS QB 1 12 VAL H 5.600 . 5.600 3.385 3.345 3.446 . 0 0 "[ . 1 . 2]" 1
82 1 12 VAL H 1 12 VAL HB 2.800 . 2.800 2.404 2.378 2.459 . 0 0 "[ . 1 . 2]" 1
83 1 12 VAL H 1 12 VAL MG2 3.360 . 3.360 2.837 2.820 2.851 . 0 0 "[ . 1 . 2]" 1
84 1 12 VAL H 1 13 SER HA 5.000 . 5.000 5.047 5.019 5.067 0.067 7 0 "[ . 1 . 2]" 1
85 1 12 VAL H 1 13 SER H 5.000 . 5.000 4.504 4.487 4.519 . 0 0 "[ . 1 . 2]" 1
86 1 12 VAL H 1 29 TRP HH2 5.000 . 5.000 4.291 4.207 4.654 . 0 0 "[ . 1 . 2]" 1
87 1 12 VAL H 1 29 TRP HZ2 5.000 . 5.000 4.213 4.145 4.465 . 0 0 "[ . 1 . 2]" 1
88 1 8 ILE MD 1 13 SER H 6.000 . 6.000 4.235 3.626 4.425 . 0 0 "[ . 1 . 2]" 1
89 1 8 ILE QG 1 13 SER H 6.000 . 6.000 5.225 5.098 5.361 . 0 0 "[ . 1 . 2]" 1
90 1 8 ILE MG 1 13 SER H 6.000 . 6.000 4.048 3.798 4.168 . 0 0 "[ . 1 . 2]" 1
91 1 12 VAL HA 1 13 SER H 2.800 . 2.800 2.228 2.187 2.252 . 0 0 "[ . 1 . 2]" 1
92 1 12 VAL HB 1 13 SER H 5.000 . 5.000 3.991 3.908 4.072 . 0 0 "[ . 1 . 2]" 1
93 1 12 VAL MG1 1 13 SER H 4.080 . 4.080 1.960 1.929 2.073 . 0 0 "[ . 1 . 2]" 1
94 1 12 VAL MG2 1 13 SER H 4.080 . 4.080 3.487 3.480 3.498 . 0 0 "[ . 1 . 2]" 1
95 1 13 SER H 1 13 SER QB 3.136 . 3.136 2.799 2.795 2.804 . 0 0 "[ . 1 . 2]" 1
96 1 13 SER H 1 29 TRP HZ2 5.000 . 5.000 3.857 3.716 3.957 . 0 0 "[ . 1 . 2]" 1
97 1 8 ILE HA 1 14 GLY H 3.400 . 3.400 3.074 2.720 3.404 0.004 6 0 "[ . 1 . 2]" 1
98 1 8 ILE MD 1 14 GLY H 6.000 . 6.000 3.029 2.826 3.144 . 0 0 "[ . 1 . 2]" 1
99 1 8 ILE QG 1 14 GLY H 6.000 . 6.000 5.124 4.935 5.235 . 0 0 "[ . 1 . 2]" 1
100 1 8 ILE MG 1 14 GLY H 6.000 . 6.000 4.619 4.311 4.899 . 0 0 "[ . 1 . 2]" 1
101 1 13 SER HA 1 14 GLY H 2.800 . 2.800 2.124 2.112 2.218 . 0 0 "[ . 1 . 2]" 1
102 1 13 SER QB 1 14 GLY H 3.808 . 3.808 3.374 2.815 3.412 . 0 0 "[ . 1 . 2]" 1
103 1 13 SER H 1 14 GLY H 5.000 . 5.000 4.275 4.223 4.512 . 0 0 "[ . 1 . 2]" 1
104 1 14 GLY H 1 29 TRP HD1 5.000 . 5.000 4.476 4.321 4.931 . 0 0 "[ . 1 . 2]" 1
105 1 14 GLY H 1 29 TRP HE1 3.400 . 3.400 2.141 1.925 2.738 . 0 0 "[ . 1 . 2]" 1
106 1 14 GLY H 1 29 TRP HZ2 5.000 . 5.000 2.693 2.592 3.489 . 0 0 "[ . 1 . 2]" 1
107 1 14 GLY QA 1 15 ILE H 3.808 . 3.808 2.153 2.086 2.275 . 0 0 "[ . 1 . 2]" 1
108 1 15 ILE H 1 15 ILE HB 3.400 . 3.400 2.843 2.680 2.931 . 0 0 "[ . 1 . 2]" 1
109 1 15 ILE H 1 16 ILE HA 5.000 . 5.000 4.795 4.680 5.020 0.020 3 0 "[ . 1 . 2]" 1
110 1 15 ILE H 1 29 TRP HA 5.000 . 5.000 4.127 3.983 4.428 . 0 0 "[ . 1 . 2]" 1
111 1 15 ILE H 1 29 TRP HD1 5.000 . 5.000 4.309 4.080 4.678 . 0 0 "[ . 1 . 2]" 1
112 1 15 ILE H 1 29 TRP HE1 5.000 . 5.000 4.125 3.779 4.493 . 0 0 "[ . 1 . 2]" 1
113 1 15 ILE H 1 30 ARG QB 5.600 . 5.600 3.642 3.292 4.439 . 0 0 "[ . 1 . 2]" 1
114 1 15 ILE H 1 32 THR HA 5.000 . 5.000 4.441 4.047 4.613 . 0 0 "[ . 1 . 2]" 1
115 1 15 ILE H 1 32 THR H 5.000 . 5.000 4.666 4.446 4.900 . 0 0 "[ . 1 . 2]" 1
116 1 5 GLY H 1 16 ILE H 3.400 . 3.400 3.416 3.372 3.435 0.035 17 0 "[ . 1 . 2]" 1
117 1 7 ALA MB 1 16 ILE H 5.600 . 5.600 3.865 3.752 3.962 . 0 0 "[ . 1 . 2]" 1
118 1 15 ILE HA 1 16 ILE H 3.400 . 3.400 2.166 2.150 2.176 . 0 0 "[ . 1 . 2]" 1
119 1 15 ILE H 1 16 ILE H 5.000 . 5.000 4.342 4.277 4.461 . 0 0 "[ . 1 . 2]" 1
120 1 16 ILE H 1 16 ILE HB 3.400 . 3.400 2.352 2.334 2.374 . 0 0 "[ . 1 . 2]" 1
121 1 16 ILE H 1 17 ALA H 5.000 . 5.000 4.420 4.265 4.476 . 0 0 "[ . 1 . 2]" 1
122 1 16 ILE H 1 29 TRP HD1 5.000 . 5.000 3.852 3.767 3.936 . 0 0 "[ . 1 . 2]" 1
123 1 16 ILE H 1 100 ILE MD 6.000 . 6.000 4.372 4.298 4.496 . 0 0 "[ . 1 . 2]" 1
124 1 5 GLY H 1 17 ALA H 5.000 . 5.000 4.652 4.528 4.751 . 0 0 "[ . 1 . 2]" 1
125 1 16 ILE HA 1 17 ALA H 2.800 . 2.800 2.226 2.145 2.274 . 0 0 "[ . 1 . 2]" 1
126 1 16 ILE MD 1 17 ALA H 6.000 . 6.000 4.577 4.389 4.998 . 0 0 "[ . 1 . 2]" 1
127 1 16 ILE QG 1 17 ALA H 4.080 . 4.080 3.296 3.126 3.615 . 0 0 "[ . 1 . 2]" 1
128 1 17 ALA H 1 27 LEU MD2 5.600 . 5.600 4.723 4.686 4.743 . 0 0 "[ . 1 . 2]" 1
129 1 17 ALA H 1 28 THR HB 5.000 . 5.000 3.809 3.162 4.220 . 0 0 "[ . 1 . 2]" 1
130 1 17 ALA H 1 28 THR H 3.400 . 3.400 2.680 2.423 2.919 . 0 0 "[ . 1 . 2]" 1
131 1 17 ALA H 1 29 TRP HA 3.400 . 3.400 3.410 3.277 3.440 0.040 10 0 "[ . 1 . 2]" 1
132 1 17 ALA H 1 30 ARG H 5.000 . 5.000 4.588 4.219 4.726 . 0 0 "[ . 1 . 2]" 1
133 1 4 SER HA 1 18 ILE H 5.000 . 5.000 2.639 2.429 2.833 . 0 0 "[ . 1 . 2]" 1
134 1 4 SER QB 1 18 ILE H 5.600 . 5.600 3.894 3.612 4.077 . 0 0 "[ . 1 . 2]" 1
135 1 17 ALA HA 1 18 ILE H 2.800 . 2.800 2.054 2.042 2.063 . 0 0 "[ . 1 . 2]" 1
136 1 17 ALA MB 1 18 ILE H 3.808 . 3.808 3.218 3.196 3.248 . 0 0 "[ . 1 . 2]" 1
137 1 17 ALA H 1 18 ILE H 5.000 . 5.000 4.045 3.964 4.185 . 0 0 "[ . 1 . 2]" 1
138 1 18 ILE H 1 18 ILE HB 3.400 . 3.400 2.507 2.426 2.603 . 0 0 "[ . 1 . 2]" 1
139 1 18 ILE H 1 18 ILE QG 4.080 . 4.080 2.288 2.048 2.501 . 0 0 "[ . 1 . 2]" 1
140 1 18 ILE H 1 19 ASN H 5.000 . 5.000 4.566 4.519 4.576 . 0 0 "[ . 1 . 2]" 1
141 1 18 ILE H 1 100 ILE MD 6.000 . 6.000 3.610 3.392 3.785 . 0 0 "[ . 1 . 2]" 1
142 1 19 ASN HD21 1 22 VAL MG2 4.080 . 4.080 2.260 1.941 3.409 . 0 0 "[ . 1 . 2]" 1
143 1 18 ILE HA 1 19 ASN H 2.800 . 2.800 2.189 2.145 2.201 . 0 0 "[ . 1 . 2]" 1
144 1 18 ILE HB 1 19 ASN H 5.000 . 5.000 3.938 3.833 4.092 . 0 0 "[ . 1 . 2]" 1
145 1 18 ILE QG 1 19 ASN H 6.000 . 6.000 4.047 3.916 4.167 . 0 0 "[ . 1 . 2]" 1
146 1 18 ILE MG 1 19 ASN H 4.080 . 4.080 2.022 1.922 2.309 . 0 0 "[ . 1 . 2]" 1
147 1 19 ASN H 1 19 ASN QB 3.808 . 3.808 2.467 2.370 2.547 . 0 0 "[ . 1 . 2]" 1
148 1 19 ASN H 1 20 GLU H 5.000 . 5.000 3.900 3.851 4.114 . 0 0 "[ . 1 . 2]" 1
149 1 19 ASN H 1 27 LEU QB 5.600 . 5.600 4.259 3.919 4.918 . 0 0 "[ . 1 . 2]" 1
150 1 18 ILE MG 1 20 GLU H 6.000 . 6.000 3.331 3.209 3.630 . 0 0 "[ . 1 . 2]" 1
151 1 19 ASN HA 1 20 GLU H 2.800 . 2.800 2.219 2.149 2.230 . 0 0 "[ . 1 . 2]" 1
152 1 19 ASN QB 1 20 GLU H 5.600 . 5.600 3.905 3.758 4.014 . 0 0 "[ . 1 . 2]" 1
153 1 20 GLU H 1 20 GLU QB 3.808 . 3.808 2.221 2.086 2.965 . 0 0 "[ . 1 . 2]" 1
154 1 20 GLU H 1 22 VAL H 5.000 . 5.000 4.423 4.158 4.460 . 0 0 "[ . 1 . 2]" 1
155 1 19 ASN HA 1 21 ASP H 3.400 . 3.400 3.199 3.177 3.364 . 0 0 "[ . 1 . 2]" 1
156 1 19 ASN HD21 1 21 ASP H 3.400 . 3.400 2.466 1.999 3.401 0.001 11 0 "[ . 1 . 2]" 1
157 1 19 ASN HD22 1 21 ASP H 5.000 . 5.000 3.522 2.478 4.988 . 0 0 "[ . 1 . 2]" 1
158 1 20 GLU HA 1 21 ASP H 3.400 . 3.400 3.275 3.260 3.291 . 0 0 "[ . 1 . 2]" 1
159 1 20 GLU QB 1 21 ASP H 5.600 . 5.600 3.455 3.384 3.848 . 0 0 "[ . 1 . 2]" 1
160 1 20 GLU QG 1 21 ASP H 5.600 . 5.600 4.588 2.935 4.897 . 0 0 "[ . 1 . 2]" 1
161 1 20 GLU H 1 21 ASP H 3.400 . 3.400 2.544 2.272 2.586 . 0 0 "[ . 1 . 2]" 1
162 1 21 ASP H 1 21 ASP QB 3.808 . 3.808 2.289 2.200 2.343 . 0 0 "[ . 1 . 2]" 1
163 1 21 ASP H 1 22 VAL HA 5.000 . 5.000 5.008 5.000 5.023 0.023 9 0 "[ . 1 . 2]" 1
164 1 21 ASP H 1 22 VAL MG2 4.080 . 4.080 3.030 2.974 3.097 . 0 0 "[ . 1 . 2]" 1
165 1 21 ASP H 1 22 VAL H 2.800 . 2.800 2.544 2.516 2.561 . 0 0 "[ . 1 . 2]" 1
166 1 19 ASN HA 1 22 VAL H 5.000 . 5.000 4.967 4.919 5.005 0.005 19 0 "[ . 1 . 2]" 1
167 1 20 GLU HA 1 22 VAL H 3.400 . 3.400 3.257 3.165 3.291 . 0 0 "[ . 1 . 2]" 1
168 1 20 GLU QB 1 22 VAL H 5.600 . 5.600 4.555 4.445 4.583 . 0 0 "[ . 1 . 2]" 1
169 1 21 ASP QB 1 22 VAL H 3.808 . 3.808 3.407 3.316 3.419 . 0 0 "[ . 1 . 2]" 1
170 1 22 VAL H 1 22 VAL HB 3.400 . 3.400 3.347 3.251 3.389 . 0 0 "[ . 1 . 2]" 1
171 1 22 VAL H 1 22 VAL MG2 3.360 . 3.360 1.860 1.829 1.872 . 0 0 "[ . 1 . 2]" 1
172 1 22 VAL H 1 25 ALA HA 5.000 . 5.000 3.308 3.204 3.371 . 0 0 "[ . 1 . 2]" 1
173 1 22 VAL H 1 25 ALA MB 5.600 . 5.600 4.072 4.017 4.143 . 0 0 "[ . 1 . 2]" 1
174 1 22 VAL HA 1 23 SER H 2.800 . 2.800 2.809 2.800 2.835 0.035 9 0 "[ . 1 . 2]" 1
175 1 22 VAL HB 1 23 SER H 2.800 . 2.800 1.783 1.779 1.787 0.021 13 0 "[ . 1 . 2]" 1
176 1 22 VAL MG2 1 23 SER H 4.080 . 4.080 3.481 3.472 3.494 . 0 0 "[ . 1 . 2]" 1
177 1 22 VAL H 1 23 SER H 5.000 . 5.000 4.313 4.287 4.323 . 0 0 "[ . 1 . 2]" 1
178 1 23 SER H 1 23 SER QB 3.808 . 3.808 3.178 2.920 3.394 . 0 0 "[ . 1 . 2]" 1
179 1 23 SER H 1 24 PRO QD 5.600 . 5.600 4.109 4.081 4.130 . 0 0 "[ . 1 . 2]" 1
180 1 22 VAL MG2 1 25 ALA H 6.000 . 6.000 4.422 4.376 4.481 . 0 0 "[ . 1 . 2]" 1
181 1 23 SER QB 1 25 ALA H 5.600 . 5.600 5.009 4.992 5.017 . 0 0 "[ . 1 . 2]" 1
182 1 24 PRO HA 1 25 ALA H 3.400 . 3.400 2.350 2.315 2.380 . 0 0 "[ . 1 . 2]" 1
183 1 24 PRO QD 1 25 ALA H 5.600 . 5.600 4.910 4.846 4.988 . 0 0 "[ . 1 . 2]" 1
184 1 25 ALA H 1 25 ALA MB 3.136 . 3.136 2.053 2.045 2.068 . 0 0 "[ . 1 . 2]" 1
185 1 25 ALA H 1 41 VAL MG1 6.000 . 6.000 4.677 4.490 4.954 . 0 0 "[ . 1 . 2]" 1
186 1 25 ALA H 1 111 TYR QD 5.600 . 5.600 4.977 4.888 5.004 . 0 0 "[ . 1 . 2]" 1
187 1 25 ALA H 1 111 TYR QE 5.600 . 5.600 3.642 3.465 3.756 . 0 0 "[ . 1 . 2]" 1
188 1 19 ASN QB 1 26 GLU H 5.600 . 5.600 3.259 3.096 3.586 . 0 0 "[ . 1 . 2]" 1
189 1 19 ASN H 1 26 GLU H 5.000 . 5.000 2.883 2.746 3.028 . 0 0 "[ . 1 . 2]" 1
190 1 20 GLU HA 1 26 GLU H 5.000 . 5.000 3.978 3.811 4.095 . 0 0 "[ . 1 . 2]" 1
191 1 20 GLU H 1 26 GLU H 5.000 . 5.000 5.046 5.037 5.062 0.062 11 0 "[ . 1 . 2]" 1
192 1 22 VAL H 1 26 GLU H 5.000 . 5.000 4.702 4.621 4.799 . 0 0 "[ . 1 . 2]" 1
193 1 25 ALA HA 1 26 GLU H 2.800 . 2.800 2.576 2.512 2.700 . 0 0 "[ . 1 . 2]" 1
194 1 25 ALA MB 1 26 GLU H 3.808 . 3.808 2.260 2.139 2.320 . 0 0 "[ . 1 . 2]" 1
195 1 25 ALA H 1 26 GLU H 5.000 . 5.000 4.578 4.537 4.602 . 0 0 "[ . 1 . 2]" 1
196 1 26 GLU H 1 26 GLU QB 3.808 . 3.808 3.137 2.823 3.328 . 0 0 "[ . 1 . 2]" 1
197 1 26 GLU H 1 27 LEU H 5.000 . 5.000 4.187 4.152 4.264 . 0 0 "[ . 1 . 2]" 1
198 1 26 GLU H 1 42 LEU H 5.000 . 5.000 4.502 4.418 4.593 . 0 0 "[ . 1 . 2]" 1
199 1 27 LEU H 1 27 LEU QB 3.808 . 3.808 2.534 2.267 2.645 . 0 0 "[ . 1 . 2]" 1
200 1 27 LEU H 1 28 THR H 5.000 . 5.000 4.482 4.400 4.525 . 0 0 "[ . 1 . 2]" 1
201 1 27 LEU H 1 39 THR HA 5.000 . 5.000 4.766 4.647 4.834 . 0 0 "[ . 1 . 2]" 1
202 1 27 LEU H 1 39 THR MG 6.000 . 6.000 4.130 3.822 4.295 . 0 0 "[ . 1 . 2]" 1
203 1 27 LEU H 1 40 VAL MG1 6.000 . 6.000 2.109 1.968 2.230 . 0 0 "[ . 1 . 2]" 1
204 1 27 LEU H 1 40 VAL MG2 6.000 . 6.000 4.577 4.523 4.668 . 0 0 "[ . 1 . 2]" 1
205 1 27 LEU H 1 41 VAL HA 5.000 . 5.000 3.767 3.584 3.888 . 0 0 "[ . 1 . 2]" 1
206 1 18 ILE HA 1 28 THR H 3.400 . 3.400 3.380 3.286 3.411 0.011 15 0 "[ . 1 . 2]" 1
207 1 27 LEU HA 1 28 THR H 2.800 . 2.800 2.259 2.157 2.342 . 0 0 "[ . 1 . 2]" 1
208 1 27 LEU QB 1 28 THR H 5.600 . 5.600 3.229 2.927 3.580 . 0 0 "[ . 1 . 2]" 1
209 1 28 THR H 1 28 THR HB 3.400 . 3.400 2.895 2.668 3.173 . 0 0 "[ . 1 . 2]" 1
210 1 8 ILE HA 1 29 TRP HE1 3.400 . 3.400 2.900 2.793 3.060 . 0 0 "[ . 1 . 2]" 1
211 1 9 PHE QB 1 29 TRP HE1 5.600 . 5.600 3.337 3.057 3.423 . 0 0 "[ . 1 . 2]" 1
212 1 13 SER HA 1 29 TRP HE1 5.000 . 5.000 3.549 3.508 3.637 . 0 0 "[ . 1 . 2]" 1
213 1 13 SER QB 1 29 TRP HE1 5.600 . 5.600 5.025 5.013 5.041 . 0 0 "[ . 1 . 2]" 1
214 1 14 GLY QA 1 29 TRP HE1 5.600 . 5.600 3.262 2.807 3.519 . 0 0 "[ . 1 . 2]" 1
215 1 16 ILE QG 1 29 TRP HE1 6.000 . 6.000 4.184 3.867 4.296 . 0 0 "[ . 1 . 2]" 1
216 1 27 LEU MD1 1 29 TRP H 6.000 . 6.000 3.342 2.737 5.005 . 0 0 "[ . 1 . 2]" 1
217 1 28 THR HA 1 29 TRP H 2.800 . 2.800 2.156 2.146 2.175 . 0 0 "[ . 1 . 2]" 1
218 1 28 THR HB 1 29 TRP H 5.000 . 5.000 4.215 4.159 4.360 . 0 0 "[ . 1 . 2]" 1
219 1 28 THR MG 1 29 TRP H 4.080 . 4.080 3.056 2.954 3.306 . 0 0 "[ . 1 . 2]" 1
220 1 29 TRP H 1 29 TRP QB 3.808 . 3.808 2.274 2.259 2.288 . 0 0 "[ . 1 . 2]" 1
221 1 29 TRP H 1 29 TRP HD1 5.000 . 5.000 5.191 5.171 5.210 0.210 6 0 "[ . 1 . 2]" 1
222 1 29 TRP H 1 29 TRP HE3 5.000 . 5.000 4.256 4.163 4.315 . 0 0 "[ . 1 . 2]" 1
223 1 29 TRP H 1 30 ARG H 5.000 . 5.000 4.296 4.285 4.331 . 0 0 "[ . 1 . 2]" 1
224 1 29 TRP H 1 37 VAL QG 5.600 . 5.600 3.050 2.996 3.148 . 0 0 "[ . 1 . 2]" 1
225 1 29 TRP H 1 38 HIS HA 5.000 . 5.000 4.677 4.586 4.807 . 0 0 "[ . 1 . 2]" 1
226 1 29 TRP H 1 38 HIS H 5.000 . 5.000 2.990 2.850 3.181 . 0 0 "[ . 1 . 2]" 1
227 1 29 TRP H 1 39 THR HA 3.400 . 3.400 3.410 3.402 3.425 0.025 4 0 "[ . 1 . 2]" 1
228 1 30 ARG HE 1 37 VAL QG 5.600 . 5.600 3.640 2.496 4.155 . 0 0 "[ . 1 . 2]" 1
229 1 14 GLY QA 1 30 ARG H 5.600 . 5.600 4.261 3.964 4.442 . 0 0 "[ . 1 . 2]" 1
230 1 15 ILE MG 1 30 ARG H 6.000 . 6.000 4.287 4.231 4.388 . 0 0 "[ . 1 . 2]" 1
231 1 15 ILE H 1 30 ARG H 3.400 . 3.400 2.794 2.638 3.006 . 0 0 "[ . 1 . 2]" 1
232 1 16 ILE HA 1 30 ARG H 3.400 . 3.400 3.454 3.434 3.484 0.084 2 0 "[ . 1 . 2]" 1
233 1 29 TRP HA 1 30 ARG H 2.800 . 2.800 2.169 2.154 2.177 . 0 0 "[ . 1 . 2]" 1
234 1 29 TRP QB 1 30 ARG H 5.600 . 5.600 3.908 3.879 3.916 . 0 0 "[ . 1 . 2]" 1
235 1 29 TRP HD1 1 30 ARG H 5.000 . 5.000 4.377 4.257 4.414 . 0 0 "[ . 1 . 2]" 1
236 1 30 ARG H 1 37 VAL HA 5.000 . 5.000 4.557 4.418 4.696 . 0 0 "[ . 1 . 2]" 1
237 1 30 ARG H 1 37 VAL QG 5.600 . 5.600 3.703 3.612 3.783 . 0 0 "[ . 1 . 2]" 1
238 1 29 TRP HE3 1 31 SER H 5.000 . 5.000 4.403 4.272 4.493 . 0 0 "[ . 1 . 2]" 1
239 1 29 TRP HH2 1 31 SER H 5.000 . 5.000 4.596 4.413 4.659 . 0 0 "[ . 1 . 2]" 1
240 1 29 TRP HZ3 1 31 SER H 5.000 . 5.000 4.039 3.845 4.113 . 0 0 "[ . 1 . 2]" 1
241 1 30 ARG HA 1 31 SER H 3.400 . 3.400 2.179 2.165 2.198 . 0 0 "[ . 1 . 2]" 1
242 1 30 ARG H 1 31 SER H 5.000 . 5.000 4.448 4.425 4.477 . 0 0 "[ . 1 . 2]" 1
243 1 31 SER H 1 31 SER QB 3.808 . 3.808 2.303 2.079 2.412 . 0 0 "[ . 1 . 2]" 1
244 1 31 SER H 1 32 THR H 5.000 . 5.000 4.660 4.655 4.665 . 0 0 "[ . 1 . 2]" 1
245 1 31 SER H 1 35 ASP H 5.000 . 5.000 4.308 4.209 4.374 . 0 0 "[ . 1 . 2]" 1
246 1 31 SER H 1 36 LYS QB 5.600 . 5.600 4.969 4.866 5.001 . 0 0 "[ . 1 . 2]" 1
247 1 31 SER H 1 36 LYS H 3.400 . 3.400 3.154 3.042 3.309 . 0 0 "[ . 1 . 2]" 1
248 1 31 SER H 1 37 VAL HA 3.400 . 3.400 3.021 2.936 3.156 . 0 0 "[ . 1 . 2]" 1
249 1 31 SER H 1 37 VAL HB 5.000 . 5.000 3.394 3.289 3.563 . 0 0 "[ . 1 . 2]" 1
250 1 31 SER H 1 37 VAL QG 5.600 . 5.600 3.952 3.889 4.065 . 0 0 "[ . 1 . 2]" 1
251 1 31 SER H 1 38 HIS H 5.000 . 5.000 4.994 4.924 5.014 0.014 5 0 "[ . 1 . 2]" 1
252 1 12 VAL MG1 1 32 THR H 6.000 . 6.000 3.319 3.225 3.465 . 0 0 "[ . 1 . 2]" 1
253 1 14 GLY QA 1 32 THR H 3.808 . 3.808 2.220 2.131 2.483 . 0 0 "[ . 1 . 2]" 1
254 1 31 SER QB 1 32 THR H 3.808 . 3.808 2.879 2.364 3.399 . 0 0 "[ . 1 . 2]" 1
255 1 32 THR H 1 33 ASP HA 5.000 . 5.000 5.074 5.063 5.086 0.086 14 0 "[ . 1 . 2]" 1
256 1 32 THR H 1 33 ASP H 3.400 . 3.400 2.398 2.381 2.419 . 0 0 "[ . 1 . 2]" 1
257 1 12 VAL MG1 1 33 ASP H 6.000 . 6.000 4.327 4.116 4.666 . 0 0 "[ . 1 . 2]" 1
258 1 31 SER QB 1 33 ASP H 5.600 . 5.600 2.978 2.531 3.649 . 0 0 "[ . 1 . 2]" 1
259 1 32 THR HA 1 33 ASP H 3.400 . 3.400 3.472 3.464 3.488 0.088 6 0 "[ . 1 . 2]" 1
260 1 32 THR HB 1 33 ASP H 2.800 . 2.800 2.697 2.509 2.799 . 0 0 "[ . 1 . 2]" 1
261 1 32 THR MG 1 33 ASP H 4.080 . 4.080 3.430 3.424 3.439 . 0 0 "[ . 1 . 2]" 1
262 1 33 ASP H 1 33 ASP QB 3.808 . 3.808 2.316 2.177 2.751 . 0 0 "[ . 1 . 2]" 1
263 1 33 ASP H 1 34 GLY QA 5.600 . 5.600 4.315 4.273 4.385 . 0 0 "[ . 1 . 2]" 1
264 1 33 ASP H 1 34 GLY H 3.400 . 3.400 2.361 2.306 2.482 . 0 0 "[ . 1 . 2]" 1
265 1 31 SER QB 1 34 GLY H 5.600 . 5.600 2.337 1.968 2.772 . 0 0 "[ . 1 . 2]" 1
266 1 32 THR HA 1 34 GLY H 5.000 . 5.000 4.011 3.774 4.081 . 0 0 "[ . 1 . 2]" 1
267 1 32 THR H 1 34 GLY H 5.000 . 5.000 3.610 3.483 3.674 . 0 0 "[ . 1 . 2]" 1
268 1 33 ASP HA 1 34 GLY H 3.400 . 3.400 3.399 3.354 3.412 0.012 14 0 "[ . 1 . 2]" 1
269 1 33 ASP QB 1 34 GLY H 5.600 . 5.600 3.229 3.093 3.723 . 0 0 "[ . 1 . 2]" 1
270 1 34 GLY H 1 36 LYS H 5.000 . 5.000 4.023 3.956 4.179 . 0 0 "[ . 1 . 2]" 1
271 1 33 ASP HA 1 35 ASP H 5.000 . 5.000 5.018 5.011 5.036 0.036 18 0 "[ . 1 . 2]" 1
272 1 34 GLY QA 1 35 ASP H 3.808 . 3.808 2.764 2.696 2.781 . 0 0 "[ . 1 . 2]" 1
273 1 34 GLY H 1 35 ASP H 3.400 . 3.400 2.359 2.303 2.620 . 0 0 "[ . 1 . 2]" 1
274 1 35 ASP H 1 35 ASP QB 3.136 . 3.136 2.317 2.137 2.751 . 0 0 "[ . 1 . 2]" 1
275 1 35 ASP H 1 36 LYS QB 5.600 . 5.600 4.992 4.899 5.027 . 0 0 "[ . 1 . 2]" 1
276 1 35 ASP H 1 36 LYS H 3.400 . 3.400 2.315 2.105 2.359 . 0 0 "[ . 1 . 2]" 1
277 1 29 TRP HZ3 1 36 LYS H 5.000 . 5.000 5.012 4.959 5.029 0.029 2 0 "[ . 1 . 2]" 1
278 1 31 SER QB 1 36 LYS H 3.808 . 3.808 1.982 1.930 2.144 . 0 0 "[ . 1 . 2]" 1
279 1 34 GLY QA 1 36 LYS H 5.600 . 5.600 3.427 3.354 3.491 . 0 0 "[ . 1 . 2]" 1
280 1 35 ASP HA 1 36 LYS H 3.400 . 3.400 3.454 3.439 3.472 0.072 2 0 "[ . 1 . 2]" 1
281 1 35 ASP QB 1 36 LYS H 5.600 . 5.600 3.023 2.909 3.565 . 0 0 "[ . 1 . 2]" 1
282 1 36 LYS H 1 36 LYS QB 3.808 . 3.808 3.293 3.220 3.396 . 0 0 "[ . 1 . 2]" 1
283 1 36 LYS H 1 36 LYS QG 3.808 . 3.808 2.811 2.499 2.916 . 0 0 "[ . 1 . 2]" 1
284 1 29 TRP HE3 1 37 VAL H 5.000 . 5.000 4.971 4.913 5.015 0.015 2 0 "[ . 1 . 2]" 1
285 1 29 TRP HZ3 1 37 VAL H 5.000 . 5.000 4.661 4.548 4.760 . 0 0 "[ . 1 . 2]" 1
286 1 36 LYS HA 1 37 VAL H 2.800 . 2.800 2.342 2.253 2.384 . 0 0 "[ . 1 . 2]" 1
287 1 36 LYS QB 1 37 VAL H 3.808 . 3.808 2.427 2.326 2.608 . 0 0 "[ . 1 . 2]" 1
288 1 36 LYS H 1 37 VAL H 5.000 . 5.000 4.316 4.284 4.330 . 0 0 "[ . 1 . 2]" 1
289 1 37 VAL H 1 37 VAL HB 3.400 . 3.400 3.484 3.475 3.488 0.088 1 0 "[ . 1 . 2]" 1
290 1 37 VAL H 1 37 VAL QG 3.808 . 3.808 2.068 2.011 2.079 . 0 0 "[ . 1 . 2]" 1
291 1 37 VAL H 1 38 HIS H 5.000 . 5.000 4.341 4.209 4.399 . 0 0 "[ . 1 . 2]" 1
292 1 28 THR MG 1 38 HIS H 6.000 . 6.000 3.688 3.399 4.152 . 0 0 "[ . 1 . 2]" 1
293 1 29 TRP QB 1 38 HIS H 5.600 . 5.600 2.798 2.735 2.863 . 0 0 "[ . 1 . 2]" 1
294 1 29 TRP HE3 1 38 HIS H 3.400 . 3.400 2.280 2.055 2.440 . 0 0 "[ . 1 . 2]" 1
295 1 29 TRP HZ3 1 38 HIS H 5.000 . 5.000 4.277 3.998 4.448 . 0 0 "[ . 1 . 2]" 1
296 1 30 ARG HA 1 38 HIS H 5.000 . 5.000 3.560 3.495 3.662 . 0 0 "[ . 1 . 2]" 1
297 1 30 ARG H 1 38 HIS H 5.000 . 5.000 4.680 4.608 4.775 . 0 0 "[ . 1 . 2]" 1
298 1 37 VAL HA 1 38 HIS H 2.800 . 2.800 2.259 2.176 2.326 . 0 0 "[ . 1 . 2]" 1
299 1 37 VAL HB 1 38 HIS H 5.000 . 5.000 3.789 3.645 4.025 . 0 0 "[ . 1 . 2]" 1
300 1 37 VAL QG 1 38 HIS H 3.808 . 3.808 2.031 1.955 2.444 . 0 0 "[ . 1 . 2]" 1
301 1 38 HIS H 1 39 THR H 5.000 . 5.000 4.271 4.195 4.376 . 0 0 "[ . 1 . 2]" 1
302 1 38 HIS HA 1 39 THR H 2.800 . 2.800 2.144 2.140 2.150 . 0 0 "[ . 1 . 2]" 1
303 1 38 HIS QB 1 39 THR H 3.808 . 3.808 3.375 3.318 3.398 . 0 0 "[ . 1 . 2]" 1
304 1 27 LEU QB 1 40 VAL H 5.600 . 5.600 4.084 3.058 4.439 . 0 0 "[ . 1 . 2]" 1
305 1 27 LEU MD1 1 40 VAL H 6.000 . 6.000 3.508 2.920 5.017 . 0 0 "[ . 1 . 2]" 1
306 1 27 LEU MD2 1 40 VAL H 5.600 . 5.600 4.214 2.793 4.691 . 0 0 "[ . 1 . 2]" 1
307 1 27 LEU H 1 40 VAL H 5.000 . 5.000 2.855 2.660 2.957 . 0 0 "[ . 1 . 2]" 1
308 1 28 THR HA 1 40 VAL H 3.400 . 3.400 3.301 3.156 3.426 0.026 4 0 "[ . 1 . 2]" 1
309 1 39 THR HA 1 40 VAL H 2.800 . 2.800 2.195 2.144 2.242 . 0 0 "[ . 1 . 2]" 1
310 1 39 THR HB 1 40 VAL H 5.000 . 5.000 3.624 3.459 3.865 . 0 0 "[ . 1 . 2]" 1
311 1 39 THR MG 1 40 VAL H 4.080 . 4.080 2.786 2.592 2.969 . 0 0 "[ . 1 . 2]" 1
312 1 39 THR H 1 40 VAL H 5.000 . 5.000 4.520 4.457 4.557 . 0 0 "[ . 1 . 2]" 1
313 1 40 VAL H 1 40 VAL HB 3.400 . 3.400 2.509 2.404 2.589 . 0 0 "[ . 1 . 2]" 1
314 1 40 VAL H 1 40 VAL MG1 4.080 . 4.080 3.211 3.139 3.293 . 0 0 "[ . 1 . 2]" 1
315 1 40 VAL H 1 41 VAL H 5.000 . 5.000 4.416 4.369 4.468 . 0 0 "[ . 1 . 2]" 1
316 1 40 VAL HA 1 41 VAL H 2.800 . 2.800 2.193 2.186 2.199 . 0 0 "[ . 1 . 2]" 1
317 1 40 VAL HB 1 41 VAL H 5.000 . 5.000 4.323 4.303 4.363 . 0 0 "[ . 1 . 2]" 1
318 1 40 VAL MG1 1 41 VAL H 6.000 . 6.000 2.735 2.681 2.820 . 0 0 "[ . 1 . 2]" 1
319 1 40 VAL MG2 1 41 VAL H 4.080 . 4.080 3.065 2.985 3.190 . 0 0 "[ . 1 . 2]" 1
320 1 41 VAL H 1 41 VAL HB 3.400 . 3.400 2.652 2.611 2.799 . 0 0 "[ . 1 . 2]" 1
321 1 41 VAL H 1 41 VAL MG2 4.080 . 4.080 2.496 2.388 2.666 . 0 0 "[ . 1 . 2]" 1
322 1 41 VAL H 1 42 LEU H 5.000 . 5.000 4.017 3.986 4.044 . 0 0 "[ . 1 . 2]" 1
323 1 41 VAL H 1 44 THR MG 6.000 . 6.000 3.926 3.867 4.023 . 0 0 "[ . 1 . 2]" 1
324 1 25 ALA MB 1 42 LEU H 5.600 . 5.600 3.753 3.662 3.851 . 0 0 "[ . 1 . 2]" 1
325 1 26 GLU HA 1 42 LEU H 3.400 . 3.400 2.468 2.310 2.626 . 0 0 "[ . 1 . 2]" 1
326 1 27 LEU H 1 42 LEU H 5.000 . 5.000 3.570 3.481 3.631 . 0 0 "[ . 1 . 2]" 1
327 1 41 VAL HA 1 42 LEU H 3.400 . 3.400 2.214 2.199 2.225 . 0 0 "[ . 1 . 2]" 1
328 1 41 VAL HB 1 42 LEU H 5.000 . 5.000 4.402 4.322 4.429 . 0 0 "[ . 1 . 2]" 1
329 1 41 VAL MG1 1 42 LEU H 4.080 . 4.080 3.290 3.174 3.400 . 0 0 "[ . 1 . 2]" 1
330 1 41 VAL MG2 1 42 LEU H 6.000 . 6.000 4.299 4.238 4.363 . 0 0 "[ . 1 . 2]" 1
331 1 42 LEU H 1 42 LEU HG 3.400 . 3.400 3.480 3.466 3.504 0.104 7 0 "[ . 1 . 2]" 1
332 1 42 LEU H 1 111 TYR QE 5.600 . 5.600 4.784 4.676 4.881 . 0 0 "[ . 1 . 2]" 1
333 1 24 PRO QB 1 43 SER H 5.600 . 5.600 2.810 2.723 2.926 . 0 0 "[ . 1 . 2]" 1
334 1 41 VAL HB 1 43 SER H 5.000 . 5.000 3.767 3.579 3.857 . 0 0 "[ . 1 . 2]" 1
335 1 41 VAL MG1 1 43 SER H 4.080 . 4.080 2.058 1.955 2.331 . 0 0 "[ . 1 . 2]" 1
336 1 41 VAL MG2 1 43 SER H 6.000 . 6.000 4.540 4.503 4.615 . 0 0 "[ . 1 . 2]" 1
337 1 42 LEU QB 1 43 SER H 5.600 . 5.600 2.961 2.923 3.008 . 0 0 "[ . 1 . 2]" 1
338 1 42 LEU MD1 1 43 SER H 6.000 . 6.000 4.958 4.926 4.986 . 0 0 "[ . 1 . 2]" 1
339 1 42 LEU MD2 1 43 SER H 5.600 . 5.600 4.059 4.032 4.086 . 0 0 "[ . 1 . 2]" 1
340 1 42 LEU H 1 43 SER H 5.000 . 5.000 2.930 2.902 2.948 . 0 0 "[ . 1 . 2]" 1
341 1 43 SER H 1 43 SER QB 3.808 . 3.808 2.161 2.075 2.795 . 0 0 "[ . 1 . 2]" 1
342 1 43 SER H 1 44 THR MG 6.000 . 6.000 3.895 3.803 3.979 . 0 0 "[ . 1 . 2]" 1
343 1 43 SER H 1 44 THR H 3.400 . 3.400 2.513 2.471 2.557 . 0 0 "[ . 1 . 2]" 1
344 1 43 SER H 1 111 TYR QE 5.600 . 5.600 3.803 3.660 3.941 . 0 0 "[ . 1 . 2]" 1
345 1 41 VAL HB 1 44 THR H 5.000 . 5.000 2.524 2.327 2.601 . 0 0 "[ . 1 . 2]" 1
346 1 41 VAL MG1 1 44 THR H 4.080 . 4.080 2.120 1.945 2.611 . 0 0 "[ . 1 . 2]" 1
347 1 41 VAL MG2 1 44 THR H 6.000 . 6.000 4.053 3.984 4.095 . 0 0 "[ . 1 . 2]" 1
348 1 42 LEU H 1 44 THR H 5.000 . 5.000 4.621 4.588 4.650 . 0 0 "[ . 1 . 2]" 1
349 1 43 SER HA 1 44 THR H 5.000 . 5.000 3.558 3.553 3.563 . 0 0 "[ . 1 . 2]" 1
350 1 43 SER QB 1 44 THR H 5.600 . 5.600 2.661 2.526 3.122 . 0 0 "[ . 1 . 2]" 1
351 1 44 THR H 1 44 THR HB 3.400 . 3.400 3.544 3.542 3.546 0.146 9 0 "[ . 1 . 2]" 1
352 1 44 THR H 1 44 THR MG 4.080 . 4.080 1.968 1.925 2.034 . 0 0 "[ . 1 . 2]" 1
353 1 44 THR H 1 45 ILE HB 5.000 . 5.000 4.779 4.737 4.845 . 0 0 "[ . 1 . 2]" 1
354 1 44 THR H 1 45 ILE MD 6.000 . 6.000 4.881 4.745 4.983 . 0 0 "[ . 1 . 2]" 1
355 1 44 THR H 1 45 ILE QG 6.000 . 6.000 3.832 3.792 3.889 . 0 0 "[ . 1 . 2]" 1
356 1 40 VAL MG2 1 45 ILE H 6.000 . 6.000 5.078 5.064 5.109 . 0 0 "[ . 1 . 2]" 1
357 1 43 SER H 1 45 ILE H 3.400 . 3.400 3.510 3.494 3.524 0.124 16 0 "[ . 1 . 2]" 1
358 1 44 THR HA 1 45 ILE H 5.000 . 5.000 3.481 3.474 3.491 . 0 0 "[ . 1 . 2]" 1
359 1 44 THR HB 1 45 ILE H 5.000 . 5.000 3.992 3.958 4.013 . 0 0 "[ . 1 . 2]" 1
360 1 44 THR MG 1 45 ILE H 6.000 . 6.000 3.820 3.789 3.855 . 0 0 "[ . 1 . 2]" 1
361 1 44 THR H 1 45 ILE H 3.400 . 3.400 2.498 2.483 2.522 . 0 0 "[ . 1 . 2]" 1
362 1 45 ILE H 1 45 ILE HB 3.400 . 3.400 2.547 2.510 2.579 . 0 0 "[ . 1 . 2]" 1
363 1 45 ILE H 1 45 ILE MD 4.080 . 4.080 3.245 3.143 3.326 . 0 0 "[ . 1 . 2]" 1
364 1 45 ILE H 1 45 ILE QG 4.080 . 4.080 2.037 1.990 2.077 . 0 0 "[ . 1 . 2]" 1
365 1 45 ILE HA 1 46 ASP H 3.400 . 3.400 2.182 2.162 2.213 . 0 0 "[ . 1 . 2]" 1
366 1 45 ILE MD 1 46 ASP H 6.000 . 6.000 3.753 3.676 3.889 . 0 0 "[ . 1 . 2]" 1
367 1 45 ILE MG 1 46 ASP H 4.080 . 4.080 3.136 3.036 3.283 . 0 0 "[ . 1 . 2]" 1
368 1 45 ILE H 1 46 ASP H 5.000 . 5.000 4.379 4.293 4.435 . 0 0 "[ . 1 . 2]" 1
369 1 46 ASP H 1 46 ASP QB 3.808 . 3.808 2.205 2.071 2.257 . 0 0 "[ . 1 . 2]" 1
370 1 46 ASP H 1 47 LYS H 3.400 . 3.400 2.779 2.732 2.836 . 0 0 "[ . 1 . 2]" 1
371 1 46 ASP H 1 64 GLY QA 5.600 . 5.600 2.025 1.936 2.181 . 0 0 "[ . 1 . 2]" 1
372 1 45 ILE HA 1 47 LYS H 5.000 . 5.000 3.619 3.460 3.722 . 0 0 "[ . 1 . 2]" 1
373 1 45 ILE MG 1 47 LYS H 4.080 . 4.080 1.957 1.911 2.170 . 0 0 "[ . 1 . 2]" 1
374 1 46 ASP QB 1 47 LYS H 3.808 . 3.808 2.798 2.651 3.057 . 0 0 "[ . 1 . 2]" 1
375 1 47 LYS H 1 47 LYS QB 3.808 . 3.808 3.256 2.795 3.313 . 0 0 "[ . 1 . 2]" 1
376 1 47 LYS H 1 47 LYS QG 3.808 . 3.808 2.856 2.662 3.463 . 0 0 "[ . 1 . 2]" 1
377 1 47 LYS H 1 62 LEU HA 5.000 . 5.000 4.496 4.429 4.615 . 0 0 "[ . 1 . 2]" 1
378 1 47 LYS H 1 63 ILE HB 3.400 . 3.400 2.505 2.034 3.019 . 0 0 "[ . 1 . 2]" 1
379 1 47 LYS H 1 108 ILE MD 6.000 . 6.000 5.017 4.984 5.059 . 0 0 "[ . 1 . 2]" 1
380 1 47 LYS HA 1 48 LEU H 2.800 . 2.800 2.403 2.332 2.458 . 0 0 "[ . 1 . 2]" 1
381 1 47 LYS QB 1 48 LEU H 3.808 . 3.808 2.422 2.305 2.611 . 0 0 "[ . 1 . 2]" 1
382 1 47 LYS QG 1 48 LEU H 3.808 . 3.808 3.381 3.245 3.456 . 0 0 "[ . 1 . 2]" 1
383 1 47 LYS H 1 48 LEU H 5.000 . 5.000 4.333 4.290 4.357 . 0 0 "[ . 1 . 2]" 1
384 1 48 LEU H 1 48 LEU QB 3.808 . 3.808 2.367 2.326 2.397 . 0 0 "[ . 1 . 2]" 1
385 1 48 LEU H 1 49 GLN H 5.000 . 5.000 4.349 4.306 4.400 . 0 0 "[ . 1 . 2]" 1
386 1 48 LEU H 1 108 ILE MD 6.000 . 6.000 3.523 3.283 3.972 . 0 0 "[ . 1 . 2]" 1
387 1 49 GLN HE21 1 63 ILE MD 6.000 . 6.000 3.603 1.976 4.954 . 0 0 "[ . 1 . 2]" 1
388 1 49 GLN HE22 1 63 ILE MD 6.000 . 6.000 3.486 1.976 4.764 . 0 0 "[ . 1 . 2]" 1
389 1 48 LEU HA 1 49 GLN H 2.800 . 2.800 2.173 2.162 2.191 . 0 0 "[ . 1 . 2]" 1
390 1 48 LEU HG 1 49 GLN H 3.400 . 3.400 3.164 2.958 3.423 0.023 5 0 "[ . 1 . 2]" 1
391 1 49 GLN H 1 49 GLN QB 3.808 . 3.808 2.500 2.314 2.714 . 0 0 "[ . 1 . 2]" 1
392 1 49 GLN H 1 61 ARG QB 3.808 . 3.808 3.438 3.425 3.457 . 0 0 "[ . 1 . 2]" 1
393 1 49 GLN H 1 61 ARG H 3.400 . 3.400 3.404 3.357 3.433 0.033 4 0 "[ . 1 . 2]" 1
394 1 49 GLN H 1 62 LEU HA 5.000 . 5.000 2.791 2.644 2.900 . 0 0 "[ . 1 . 2]" 1
395 1 49 GLN H 1 63 ILE MD 6.000 . 6.000 4.152 3.580 4.788 . 0 0 "[ . 1 . 2]" 1
396 1 49 GLN HA 1 50 ALA H 3.400 . 3.400 2.252 2.201 2.303 . 0 0 "[ . 1 . 2]" 1
397 1 49 GLN QB 1 50 ALA H 3.808 . 3.808 3.159 2.701 3.403 . 0 0 "[ . 1 . 2]" 1
398 1 49 GLN QG 1 50 ALA H 5.600 . 5.600 3.268 2.233 4.549 . 0 0 "[ . 1 . 2]" 1
399 1 50 ALA H 1 50 ALA MB 3.136 . 3.136 2.674 2.666 2.687 . 0 0 "[ . 1 . 2]" 1
400 1 50 ALA HA 1 51 THR H 2.800 . 2.800 2.265 2.215 2.317 . 0 0 "[ . 1 . 2]" 1
401 1 50 ALA MB 1 51 THR H 3.808 . 3.808 2.810 2.682 2.970 . 0 0 "[ . 1 . 2]" 1
402 1 50 ALA H 1 51 THR H 5.000 . 5.000 4.297 4.234 4.346 . 0 0 "[ . 1 . 2]" 1
403 1 51 THR H 1 51 THR MG 4.080 . 4.080 2.262 1.919 2.506 . 0 0 "[ . 1 . 2]" 1
404 1 51 THR H 1 59 MET QB 3.808 . 3.808 3.439 3.418 3.452 . 0 0 "[ . 1 . 2]" 1
405 1 51 THR H 1 60 LEU HA 5.000 . 5.000 3.309 3.172 3.433 . 0 0 "[ . 1 . 2]" 1
406 1 51 THR H 1 60 LEU MD2 5.600 . 5.600 2.862 2.630 3.010 . 0 0 "[ . 1 . 2]" 1
407 1 51 THR H 1 61 ARG H 5.000 . 5.000 4.969 4.815 5.039 0.039 1 0 "[ . 1 . 2]" 1
408 1 51 THR H 1 97 MET ME 3.808 . 3.808 3.197 3.186 3.211 . 0 0 "[ . 1 . 2]" 1
409 1 52 PRO HA 1 53 ALA H 3.400 . 3.400 2.350 2.346 2.354 . 0 0 "[ . 1 . 2]" 1
410 1 52 PRO HA 1 54 SER H 5.000 . 5.000 4.118 4.026 4.174 . 0 0 "[ . 1 . 2]" 1
411 1 52 PRO QB 1 54 SER H 5.600 . 5.600 2.370 2.290 2.434 . 0 0 "[ . 1 . 2]" 1
412 1 52 PRO QG 1 54 SER H 5.600 . 5.600 3.437 3.000 3.844 . 0 0 "[ . 1 . 2]" 1
413 1 53 ALA MB 1 54 SER H 3.808 . 3.808 2.846 2.753 2.964 . 0 0 "[ . 1 . 2]" 1
414 1 54 SER H 1 54 SER QB 3.808 . 3.808 2.330 2.151 2.857 . 0 0 "[ . 1 . 2]" 1
415 1 52 PRO QB 1 55 SER H 5.600 . 5.600 3.325 2.892 4.004 . 0 0 "[ . 1 . 2]" 1
416 1 52 PRO QG 1 55 SER H 3.808 . 3.808 2.692 2.455 3.239 . 0 0 "[ . 1 . 2]" 1
417 1 53 ALA MB 1 55 SER H 5.600 . 5.600 4.334 4.272 4.392 . 0 0 "[ . 1 . 2]" 1
418 1 54 SER HA 1 55 SER H 3.400 . 3.400 3.366 3.072 3.429 0.029 14 0 "[ . 1 . 2]" 1
419 1 55 SER H 1 55 SER QB 3.136 . 3.136 2.370 2.226 2.719 . 0 0 "[ . 1 . 2]" 1
420 1 55 SER H 1 56 GLU H 5.000 . 5.000 4.415 4.293 4.498 . 0 0 "[ . 1 . 2]" 1
421 1 55 SER H 1 57 LYS H 5.000 . 5.000 5.011 4.957 5.035 0.035 8 0 "[ . 1 . 2]" 1
422 1 55 SER HA 1 56 GLU H 2.800 . 2.800 2.130 2.126 2.137 . 0 0 "[ . 1 . 2]" 1
423 1 55 SER QB 1 56 GLU H 5.600 . 5.600 3.529 3.278 3.862 . 0 0 "[ . 1 . 2]" 1
424 1 56 GLU H 1 56 GLU QB 3.808 . 3.808 2.283 2.098 2.649 . 0 0 "[ . 1 . 2]" 1
425 1 55 SER HA 1 57 LYS H 3.400 . 3.400 3.462 3.436 3.500 0.100 4 0 "[ . 1 . 2]" 1
426 1 55 SER QB 1 57 LYS H 5.600 . 5.600 2.785 2.353 3.424 . 0 0 "[ . 1 . 2]" 1
427 1 56 GLU HA 1 57 LYS H 3.400 . 3.400 3.407 3.369 3.422 0.022 6 0 "[ . 1 . 2]" 1
428 1 56 GLU QB 1 57 LYS H 3.808 . 3.808 3.097 3.018 3.225 . 0 0 "[ . 1 . 2]" 1
429 1 56 GLU QG 1 57 LYS H 5.600 . 5.600 4.355 3.986 4.729 . 0 0 "[ . 1 . 2]" 1
430 1 56 GLU H 1 57 LYS H 3.400 . 3.400 2.671 2.626 2.697 . 0 0 "[ . 1 . 2]" 1
431 1 57 LYS H 1 57 LYS QB 3.808 . 3.808 2.793 2.227 3.307 . 0 0 "[ . 1 . 2]" 1
432 1 57 LYS H 1 57 LYS QD 3.808 . 3.808 2.758 1.700 3.411 0.100 13 0 "[ . 1 . 2]" 1
433 1 57 LYS H 1 57 LYS QG 3.808 . 3.808 2.261 1.949 3.404 . 0 0 "[ . 1 . 2]" 1
434 1 57 LYS HA 1 58 MET H 2.800 . 2.800 2.261 2.127 2.640 . 0 0 "[ . 1 . 2]" 1
435 1 57 LYS QB 1 58 MET H 5.600 . 5.600 3.129 1.951 3.870 . 0 0 "[ . 1 . 2]" 1
436 1 58 MET H 1 58 MET QB 3.808 . 3.808 2.677 2.150 3.055 . 0 0 "[ . 1 . 2]" 1
437 1 51 THR MG 1 59 MET H 4.080 . 4.080 2.244 1.938 2.778 . 0 0 "[ . 1 . 2]" 1
438 1 59 MET H 1 59 MET QB 3.808 . 3.808 2.791 2.669 2.884 . 0 0 "[ . 1 . 2]" 1
439 1 59 MET H 1 60 LEU H 5.000 . 5.000 4.304 4.256 4.382 . 0 0 "[ . 1 . 2]" 1
440 1 59 MET H 1 90 SER HA 5.000 . 5.000 5.028 5.003 5.057 0.057 7 0 "[ . 1 . 2]" 1
441 1 59 MET HA 1 60 LEU H 3.400 . 3.400 2.207 2.164 2.296 . 0 0 "[ . 1 . 2]" 1
442 1 59 MET QB 1 60 LEU H 5.600 . 5.600 2.914 2.581 3.604 . 0 0 "[ . 1 . 2]" 1
443 1 59 MET QG 1 60 LEU H 5.600 . 5.600 3.947 2.587 4.168 . 0 0 "[ . 1 . 2]" 1
444 1 60 LEU H 1 60 LEU MD2 5.600 . 5.600 3.453 3.381 3.608 . 0 0 "[ . 1 . 2]" 1
445 1 60 LEU H 1 90 SER HA 3.400 . 3.400 3.350 3.150 3.436 0.036 20 0 "[ . 1 . 2]" 1
446 1 60 LEU H 1 91 PHE QD 5.600 . 5.600 2.405 2.204 2.783 . 0 0 "[ . 1 . 2]" 1
447 1 60 LEU H 1 91 PHE QE 3.808 . 3.808 3.042 2.357 3.401 . 0 0 "[ . 1 . 2]" 1
448 1 60 LEU H 1 91 PHE H 3.400 . 3.400 3.448 3.424 3.484 0.084 4 0 "[ . 1 . 2]" 1
449 1 49 GLN HA 1 61 ARG H 5.000 . 5.000 4.629 4.582 4.668 . 0 0 "[ . 1 . 2]" 1
450 1 49 GLN QB 1 61 ARG H 3.808 . 3.808 3.428 3.414 3.440 . 0 0 "[ . 1 . 2]" 1
451 1 50 ALA HA 1 61 ARG H 5.000 . 5.000 2.935 2.768 3.041 . 0 0 "[ . 1 . 2]" 1
452 1 50 ALA MB 1 61 ARG H 3.808 . 3.808 3.200 3.181 3.214 . 0 0 "[ . 1 . 2]" 1
453 1 60 LEU HA 1 61 ARG H 3.400 . 3.400 2.261 2.213 2.314 . 0 0 "[ . 1 . 2]" 1
454 1 60 LEU QB 1 61 ARG H 5.600 . 5.600 2.785 2.609 2.908 . 0 0 "[ . 1 . 2]" 1
455 1 60 LEU H 1 61 ARG H 5.000 . 5.000 4.463 4.431 4.486 . 0 0 "[ . 1 . 2]" 1
456 1 61 ARG H 1 61 ARG QB 3.808 . 3.808 2.688 2.575 3.002 . 0 0 "[ . 1 . 2]" 1
457 1 61 ARG HA 1 62 LEU H 3.400 . 3.400 2.260 2.227 2.319 . 0 0 "[ . 1 . 2]" 1
458 1 62 LEU H 1 62 LEU QD 3.808 . 3.808 2.839 2.826 2.863 . 0 0 "[ . 1 . 2]" 1
459 1 62 LEU H 1 62 LEU HG 3.400 . 3.400 3.362 3.250 3.407 0.007 2 0 "[ . 1 . 2]" 1
460 1 62 LEU H 1 88 MET HA 5.000 . 5.000 3.784 3.477 4.088 . 0 0 "[ . 1 . 2]" 1
461 1 45 ILE MG 1 63 ILE H 4.080 . 4.080 2.552 2.493 2.698 . 0 0 "[ . 1 . 2]" 1
462 1 47 LYS H 1 63 ILE H 5.000 . 5.000 3.028 2.842 3.295 . 0 0 "[ . 1 . 2]" 1
463 1 48 LEU HA 1 63 ILE H 5.000 . 5.000 3.411 3.217 3.690 . 0 0 "[ . 1 . 2]" 1
464 1 62 LEU HA 1 63 ILE H 3.400 . 3.400 2.160 2.151 2.179 . 0 0 "[ . 1 . 2]" 1
465 1 62 LEU QB 1 63 ILE H 5.600 . 5.600 3.378 3.331 3.490 . 0 0 "[ . 1 . 2]" 1
466 1 63 ILE H 1 63 ILE MD 4.080 . 4.080 2.894 2.669 3.253 . 0 0 "[ . 1 . 2]" 1
467 1 63 ILE H 1 63 ILE QG 4.080 . 4.080 1.959 1.923 2.022 . 0 0 "[ . 1 . 2]" 1
468 1 45 ILE HA 1 64 GLY H 5.000 . 5.000 4.781 4.601 4.877 . 0 0 "[ . 1 . 2]" 1
469 1 63 ILE HA 1 64 GLY H 2.800 . 2.800 2.327 2.252 2.346 . 0 0 "[ . 1 . 2]" 1
470 1 63 ILE HB 1 64 GLY H 5.000 . 5.000 3.539 3.447 3.715 . 0 0 "[ . 1 . 2]" 1
471 1 63 ILE MD 1 64 GLY H 6.000 . 6.000 3.789 3.573 3.944 . 0 0 "[ . 1 . 2]" 1
472 1 63 ILE MG 1 64 GLY H 4.080 . 4.080 1.941 1.889 2.053 . 0 0 "[ . 1 . 2]" 1
473 1 64 GLY H 1 86 ARG HA 5.000 . 5.000 2.866 2.595 3.156 . 0 0 "[ . 1 . 2]" 1
474 1 64 GLY H 1 86 ARG QG 5.600 . 5.600 3.331 2.331 4.861 . 0 0 "[ . 1 . 2]" 1
475 1 44 THR HA 1 65 LYS H 5.000 . 5.000 4.689 4.250 5.018 0.018 5 0 "[ . 1 . 2]" 1
476 1 46 ASP QB 1 65 LYS H 5.600 . 5.600 3.031 2.373 3.662 . 0 0 "[ . 1 . 2]" 1
477 1 46 ASP H 1 65 LYS H 5.000 . 5.000 3.065 2.568 3.867 . 0 0 "[ . 1 . 2]" 1
478 1 63 ILE MG 1 65 LYS H 6.000 . 6.000 4.828 4.428 5.031 . 0 0 "[ . 1 . 2]" 1
479 1 64 GLY QA 1 65 LYS H 3.808 . 3.808 2.192 2.114 2.284 . 0 0 "[ . 1 . 2]" 1
480 1 64 GLY H 1 65 LYS H 5.000 . 5.000 4.467 4.349 4.537 . 0 0 "[ . 1 . 2]" 1
481 1 65 LYS H 1 65 LYS QB 3.808 . 3.808 2.461 2.147 2.668 . 0 0 "[ . 1 . 2]" 1
482 1 65 LYS H 1 65 LYS QD 5.600 . 5.600 3.464 2.483 4.254 . 0 0 "[ . 1 . 2]" 1
483 1 65 LYS H 1 65 LYS QG 3.808 . 3.808 2.398 1.961 3.397 . 0 0 "[ . 1 . 2]" 1
484 1 65 LYS H 1 66 VAL H 5.000 . 5.000 4.467 4.385 4.548 . 0 0 "[ . 1 . 2]" 1
485 1 46 ASP QB 1 66 VAL H 5.600 . 5.600 4.164 3.559 4.701 . 0 0 "[ . 1 . 2]" 1
486 1 65 LYS HA 1 66 VAL H 2.800 . 2.800 2.144 2.135 2.189 . 0 0 "[ . 1 . 2]" 1
487 1 65 LYS QB 1 66 VAL H 3.808 . 3.808 3.312 3.000 3.405 . 0 0 "[ . 1 . 2]" 1
488 1 65 LYS QG 1 66 VAL H 5.600 . 5.600 4.221 3.737 4.885 . 0 0 "[ . 1 . 2]" 1
489 1 66 VAL H 1 66 VAL HB 2.800 . 2.800 2.776 2.534 2.826 0.026 15 0 "[ . 1 . 2]" 1
490 1 66 VAL H 1 66 VAL MG1 3.360 . 3.360 2.030 1.951 2.213 . 0 0 "[ . 1 . 2]" 1
491 1 66 VAL HA 1 67 ASP H 2.800 . 2.800 2.372 2.341 2.394 . 0 0 "[ . 1 . 2]" 1
492 1 66 VAL MG1 1 67 ASP H 4.080 . 4.080 3.407 3.358 3.427 . 0 0 "[ . 1 . 2]" 1
493 1 66 VAL MG2 1 67 ASP H 4.080 . 4.080 1.878 1.840 1.934 . 0 0 "[ . 1 . 2]" 1
494 1 66 VAL H 1 67 ASP H 5.000 . 5.000 4.564 4.535 4.633 . 0 0 "[ . 1 . 2]" 1
495 1 67 ASP H 1 67 ASP QB 3.808 . 3.808 2.567 2.257 3.116 . 0 0 "[ . 1 . 2]" 1
496 1 67 ASP HA 1 68 GLU H 2.800 . 2.800 2.645 2.376 2.839 0.039 10 0 "[ . 1 . 2]" 1
497 1 67 ASP QB 1 68 GLU H 5.600 . 5.600 3.913 3.838 4.040 . 0 0 "[ . 1 . 2]" 1
498 1 67 ASP H 1 68 GLU H 5.000 . 5.000 3.106 2.522 3.755 . 0 0 "[ . 1 . 2]" 1
499 1 68 GLU H 1 68 GLU QB 3.808 . 3.808 2.570 2.038 3.140 . 0 0 "[ . 1 . 2]" 1
500 1 68 GLU H 1 68 GLU QG 3.808 . 3.808 2.338 1.976 3.393 . 0 0 "[ . 1 . 2]" 1
501 1 68 GLU H 1 70 LYS H 5.000 . 5.000 4.463 4.064 5.013 0.013 9 0 "[ . 1 . 2]" 1
502 1 67 ASP QB 1 69 SER H 5.600 . 5.600 3.803 3.268 4.500 . 0 0 "[ . 1 . 2]" 1
503 1 68 GLU HA 1 69 SER H 3.400 . 3.400 3.285 2.797 3.444 0.044 17 0 "[ . 1 . 2]" 1
504 1 68 GLU QB 1 69 SER H 5.600 . 5.600 3.657 2.940 4.051 . 0 0 "[ . 1 . 2]" 1
505 1 68 GLU QG 1 69 SER H 5.600 . 5.600 3.216 2.249 4.606 . 0 0 "[ . 1 . 2]" 1
506 1 68 GLU H 1 69 SER H 3.400 . 3.400 2.736 2.550 3.189 . 0 0 "[ . 1 . 2]" 1
507 1 69 SER H 1 69 SER QB 3.136 . 3.136 2.384 2.113 2.754 . 0 0 "[ . 1 . 2]" 1
508 1 69 SER H 1 70 LYS QB 5.600 . 5.600 4.417 3.646 4.832 . 0 0 "[ . 1 . 2]" 1
509 1 69 SER H 1 70 LYS QG 5.600 . 5.600 4.161 3.099 4.997 . 0 0 "[ . 1 . 2]" 1
510 1 69 SER H 1 70 LYS H 2.800 . 2.800 2.542 1.979 2.810 0.010 14 0 "[ . 1 . 2]" 1
511 1 67 ASP QB 1 70 LYS H 5.600 . 5.600 3.873 3.053 5.009 . 0 0 "[ . 1 . 2]" 1
512 1 68 GLU HA 1 70 LYS H 5.000 . 5.000 3.598 3.289 4.096 . 0 0 "[ . 1 . 2]" 1
513 1 69 SER HA 1 70 LYS H 3.400 . 3.400 3.355 2.867 3.456 0.056 16 0 "[ . 1 . 2]" 1
514 1 69 SER QB 1 70 LYS H 5.600 . 5.600 3.140 2.868 3.841 . 0 0 "[ . 1 . 2]" 1
515 1 70 LYS H 1 70 LYS QB 3.808 . 3.808 2.377 2.150 2.623 . 0 0 "[ . 1 . 2]" 1
516 1 70 LYS H 1 70 LYS QD 5.600 . 5.600 4.038 3.516 4.496 . 0 0 "[ . 1 . 2]" 1
517 1 70 LYS H 1 70 LYS QG 3.808 . 3.808 2.591 1.985 3.383 . 0 0 "[ . 1 . 2]" 1
518 1 68 GLU HA 1 71 LYS H 5.000 . 5.000 3.870 3.452 4.667 . 0 0 "[ . 1 . 2]" 1
519 1 69 SER H 1 71 LYS H 5.000 . 5.000 4.846 4.002 5.020 0.020 4 0 "[ . 1 . 2]" 1
520 1 71 LYS H 1 71 LYS QG 3.808 . 3.808 2.873 2.487 3.100 . 0 0 "[ . 1 . 2]" 1
521 1 71 LYS H 1 72 ARG H 3.400 . 3.400 3.410 3.351 3.432 0.032 20 0 "[ . 1 . 2]" 1
522 1 71 LYS HA 1 72 ARG H 2.800 . 2.800 2.250 2.203 2.326 . 0 0 "[ . 1 . 2]" 1
523 1 71 LYS QG 1 72 ARG H 5.600 . 5.600 4.335 4.102 4.517 . 0 0 "[ . 1 . 2]" 1
524 1 72 ARG H 1 72 ARG QB 3.808 . 3.808 2.624 2.029 3.329 . 0 0 "[ . 1 . 2]" 1
525 1 72 ARG H 1 72 ARG QD 5.600 . 5.600 3.767 1.883 4.879 . 0 0 "[ . 1 . 2]" 1
526 1 72 ARG H 1 72 ARG QG 3.808 . 3.808 2.783 2.263 3.408 . 0 0 "[ . 1 . 2]" 1
527 1 72 ARG H 1 80 VAL QG 5.600 . 5.600 3.779 3.296 4.159 . 0 0 "[ . 1 . 2]" 1
528 1 72 ARG H 1 80 VAL H 3.400 . 3.400 3.414 3.401 3.429 0.029 20 0 "[ . 1 . 2]" 1
529 1 72 ARG H 1 81 VAL QG 5.600 . 5.600 3.950 3.247 4.164 . 0 0 "[ . 1 . 2]" 1
530 1 72 ARG HA 1 73 LYS H 2.800 . 2.800 2.400 2.135 2.666 . 0 0 "[ . 1 . 2]" 1
531 1 72 ARG QB 1 73 LYS H 3.808 . 3.808 2.597 1.958 3.361 . 0 0 "[ . 1 . 2]" 1
532 1 73 LYS HA 1 74 ASP H 2.800 . 2.800 2.547 2.265 2.762 . 0 0 "[ . 1 . 2]" 1
533 1 73 LYS QB 1 74 ASP H 3.136 . 3.136 2.258 1.948 2.801 . 0 0 "[ . 1 . 2]" 1
534 1 73 LYS QD 1 74 ASP H 5.600 . 5.600 4.075 3.149 4.992 . 0 0 "[ . 1 . 2]" 1
535 1 73 LYS QG 1 74 ASP H 5.600 . 5.600 4.003 3.093 4.597 . 0 0 "[ . 1 . 2]" 1
536 1 74 ASP H 1 74 ASP QB 3.808 . 3.808 2.509 2.250 3.006 . 0 0 "[ . 1 . 2]" 1
537 1 74 ASP H 1 77 GLY QA 5.600 . 5.600 3.969 2.957 4.906 . 0 0 "[ . 1 . 2]" 1
538 1 75 ASN QB 1 75 ASN HD22 3.808 . 3.808 3.271 3.214 3.393 . 0 0 "[ . 1 . 2]" 1
539 1 74 ASP HA 1 75 ASN H 3.400 . 3.400 3.116 2.483 3.525 0.125 10 0 "[ . 1 . 2]" 1
540 1 74 ASP QB 1 75 ASN H 3.808 . 3.808 2.534 1.961 3.379 . 0 0 "[ . 1 . 2]" 1
541 1 74 ASP H 1 75 ASN H 5.000 . 5.000 3.172 1.975 4.560 . 0 0 "[ . 1 . 2]" 1
542 1 75 ASN H 1 75 ASN QB 3.808 . 3.808 2.723 2.103 3.403 . 0 0 "[ . 1 . 2]" 1
543 1 74 ASP QB 1 76 GLU H 5.600 . 5.600 2.777 2.201 4.088 . 0 0 "[ . 1 . 2]" 1
544 1 75 ASN HA 1 76 GLU H 3.400 . 3.400 3.452 3.406 3.481 0.081 10 0 "[ . 1 . 2]" 1
545 1 75 ASN QB 1 76 GLU H 3.808 . 3.808 2.979 2.777 3.401 . 0 0 "[ . 1 . 2]" 1
546 1 75 ASN H 1 76 GLU H 3.400 . 3.400 2.260 1.877 2.712 . 0 0 "[ . 1 . 2]" 1
547 1 76 GLU H 1 76 GLU QB 3.136 . 3.136 2.400 2.226 2.570 . 0 0 "[ . 1 . 2]" 1
548 1 76 GLU H 1 77 GLY QA 5.600 . 5.600 4.409 4.138 4.652 . 0 0 "[ . 1 . 2]" 1
549 1 76 GLU H 1 78 ASN HD22 5.000 . 5.000 4.237 2.010 5.002 0.002 14 0 "[ . 1 . 2]" 1
550 1 76 GLU H 1 78 ASN H 3.400 . 3.400 3.131 2.830 3.407 0.007 19 0 "[ . 1 . 2]" 1
551 1 73 LYS QB 1 77 GLY H 5.600 . 5.600 3.684 2.774 4.323 . 0 0 "[ . 1 . 2]" 1
552 1 73 LYS QD 1 77 GLY H 5.600 . 5.600 4.708 3.960 5.005 . 0 0 "[ . 1 . 2]" 1
553 1 75 ASN HA 1 77 GLY H 5.000 . 5.000 3.759 3.552 4.268 . 0 0 "[ . 1 . 2]" 1
554 1 76 GLU HA 1 77 GLY H 3.400 . 3.400 2.941 2.799 3.411 0.011 8 0 "[ . 1 . 2]" 1
555 1 76 GLU QB 1 77 GLY H 5.600 . 5.600 3.760 3.110 3.889 . 0 0 "[ . 1 . 2]" 1
556 1 76 GLU QB 1 78 ASN HD21 3.808 . 3.808 2.804 1.969 3.396 . 0 0 "[ . 1 . 2]" 1
557 1 76 GLU QB 1 78 ASN HD22 3.808 . 3.808 2.404 1.949 3.396 . 0 0 "[ . 1 . 2]" 1
558 1 78 ASN QB 1 78 ASN HD22 3.808 . 3.808 3.271 3.213 3.419 . 0 0 "[ . 1 . 2]" 1
559 1 73 LYS QB 1 78 ASN H 5.600 . 5.600 3.454 2.583 4.471 . 0 0 "[ . 1 . 2]" 1
560 1 76 GLU HA 1 78 ASN H 5.000 . 5.000 4.435 4.235 4.891 . 0 0 "[ . 1 . 2]" 1
561 1 76 GLU QB 1 78 ASN H 3.808 . 3.808 3.373 3.203 3.416 . 0 0 "[ . 1 . 2]" 1
562 1 77 GLY QA 1 78 ASN H 3.808 . 3.808 2.845 2.714 2.925 . 0 0 "[ . 1 . 2]" 1
563 1 77 GLY H 1 78 ASN H 2.800 . 2.800 2.698 1.958 2.805 0.005 19 0 "[ . 1 . 2]" 1
564 1 78 ASN H 1 78 ASN QB 3.808 . 3.808 2.387 2.054 2.671 . 0 0 "[ . 1 . 2]" 1
565 1 73 LYS QB 1 79 GLU H 5.600 . 5.600 4.665 2.702 5.003 . 0 0 "[ . 1 . 2]" 1
566 1 78 ASN QB 1 79 GLU H 3.808 . 3.808 2.459 1.868 3.435 . 0 0 "[ . 1 . 2]" 1
567 1 79 GLU H 1 79 GLU QB 3.136 . 3.136 2.682 2.259 2.865 . 0 0 "[ . 1 . 2]" 1
568 1 79 GLU H 1 80 VAL QG 5.600 . 5.600 4.011 3.617 4.169 . 0 0 "[ . 1 . 2]" 1
569 1 73 LYS HA 1 80 VAL H 3.400 . 3.400 2.808 2.536 3.053 . 0 0 "[ . 1 . 2]" 1
570 1 73 LYS QD 1 80 VAL H 5.600 . 5.600 4.676 3.316 4.995 . 0 0 "[ . 1 . 2]" 1
571 1 79 GLU HA 1 80 VAL H 2.800 . 2.800 2.164 2.131 2.383 . 0 0 "[ . 1 . 2]" 1
572 1 79 GLU QG 1 80 VAL H 5.600 . 5.600 3.652 2.792 4.522 . 0 0 "[ . 1 . 2]" 1
573 1 80 VAL H 1 80 VAL QG 3.136 . 3.136 2.312 2.075 2.346 . 0 0 "[ . 1 . 2]" 1
574 1 80 VAL QG 1 81 VAL H 3.808 . 3.808 2.612 1.893 2.852 . 0 0 "[ . 1 . 2]" 1
575 1 81 VAL H 1 81 VAL HB 2.800 . 2.800 2.793 2.569 2.955 0.155 9 0 "[ . 1 . 2]" 1
576 1 81 VAL H 1 81 VAL QG 3.808 . 3.808 2.677 1.971 2.855 . 0 0 "[ . 1 . 2]" 1
577 1 81 VAL H 1 82 PRO QD 5.600 . 5.600 3.217 2.784 3.918 . 0 0 "[ . 1 . 2]" 1
578 1 80 VAL QG 1 83 LYS H 6.720 . 6.720 4.975 4.834 5.005 . 0 0 "[ . 1 . 2]" 1
579 1 82 PRO HA 1 83 LYS H 2.800 . 2.800 2.184 2.131 2.273 . 0 0 "[ . 1 . 2]" 1
580 1 82 PRO QB 1 83 LYS H 3.808 . 3.808 3.171 2.830 3.397 . 0 0 "[ . 1 . 2]" 1
581 1 83 LYS H 1 83 LYS QB 3.808 . 3.808 2.446 2.154 2.842 . 0 0 "[ . 1 . 2]" 1
582 1 83 LYS H 1 83 LYS QG 3.808 . 3.808 2.518 1.988 3.393 . 0 0 "[ . 1 . 2]" 1
583 1 83 LYS H 1 84 PRO QD 5.600 . 5.600 4.331 4.261 4.365 . 0 0 "[ . 1 . 2]" 1
584 1 63 ILE MG 1 85 GLN H 6.000 . 6.000 4.555 3.849 4.999 . 0 0 "[ . 1 . 2]" 1
585 1 64 GLY H 1 85 GLN H 5.000 . 5.000 4.068 3.434 4.882 . 0 0 "[ . 1 . 2]" 1
586 1 84 PRO HA 1 85 GLN H 2.800 . 2.800 2.298 2.149 2.807 0.007 5 0 "[ . 1 . 2]" 1
587 1 85 GLN H 1 85 GLN QG 3.808 . 3.808 2.540 1.947 3.395 . 0 0 "[ . 1 . 2]" 1
588 1 85 GLN H 1 86 ARG H 5.000 . 5.000 4.454 4.160 4.653 . 0 0 "[ . 1 . 2]" 1
589 1 85 GLN HA 1 86 ARG H 2.800 . 2.800 2.235 2.133 2.488 . 0 0 "[ . 1 . 2]" 1
590 1 85 GLN QB 1 86 ARG H 3.808 . 3.808 3.005 2.214 3.407 . 0 0 "[ . 1 . 2]" 1
591 1 85 GLN QG 1 86 ARG H 5.600 . 5.600 4.016 3.012 4.464 . 0 0 "[ . 1 . 2]" 1
592 1 86 ARG H 1 86 ARG QD 5.600 . 5.600 3.600 2.048 4.661 . 0 0 "[ . 1 . 2]" 1
593 1 61 ARG HA 1 87 HIS H 5.000 . 5.000 4.805 4.637 5.008 0.008 20 0 "[ . 1 . 2]" 1
594 1 62 LEU QB 1 87 HIS H 5.600 . 5.600 3.242 3.181 3.348 . 0 0 "[ . 1 . 2]" 1
595 1 62 LEU QD 1 87 HIS H 5.600 . 5.600 4.204 4.173 4.227 . 0 0 "[ . 1 . 2]" 1
596 1 62 LEU H 1 87 HIS H 5.000 . 5.000 2.870 2.730 3.040 . 0 0 "[ . 1 . 2]" 1
597 1 63 ILE HA 1 87 HIS H 3.400 . 3.400 3.418 3.402 3.435 0.035 7 0 "[ . 1 . 2]" 1
598 1 86 ARG HA 1 87 HIS H 2.800 . 2.800 2.215 2.167 2.272 . 0 0 "[ . 1 . 2]" 1
599 1 86 ARG H 1 87 HIS H 5.000 . 5.000 4.312 3.912 4.491 . 0 0 "[ . 1 . 2]" 1
600 1 9 PHE QD 1 88 MET H 5.600 . 5.600 4.572 3.609 4.809 . 0 0 "[ . 1 . 2]" 1
601 1 9 PHE QE 1 88 MET H 5.600 . 5.600 4.004 3.341 4.320 . 0 0 "[ . 1 . 2]" 1
602 1 87 HIS HA 1 88 MET H 2.800 . 2.800 2.149 2.144 2.155 . 0 0 "[ . 1 . 2]" 1
603 1 87 HIS QB 1 88 MET H 5.600 . 5.600 3.465 3.389 3.483 . 0 0 "[ . 1 . 2]" 1
604 1 88 MET H 1 88 MET QB 3.808 . 3.808 2.308 2.191 2.424 . 0 0 "[ . 1 . 2]" 1
605 1 88 MET H 1 89 PHE H 5.000 . 5.000 4.450 4.318 4.547 . 0 0 "[ . 1 . 2]" 1
606 1 61 ARG HA 1 89 PHE H 3.400 . 3.400 2.925 2.653 3.075 . 0 0 "[ . 1 . 2]" 1
607 1 62 LEU H 1 89 PHE H 5.000 . 5.000 4.858 4.534 5.014 0.014 14 0 "[ . 1 . 2]" 1
608 1 88 MET HA 1 89 PHE H 3.400 . 3.400 2.151 2.120 2.202 . 0 0 "[ . 1 . 2]" 1
609 1 88 MET QB 1 89 PHE H 5.600 . 5.600 3.617 3.298 3.875 . 0 0 "[ . 1 . 2]" 1
610 1 88 MET QG 1 89 PHE H 5.600 . 5.600 2.863 2.210 3.634 . 0 0 "[ . 1 . 2]" 1
611 1 89 PHE H 1 89 PHE QB 3.808 . 3.808 2.712 2.509 2.975 . 0 0 "[ . 1 . 2]" 1
612 1 89 PHE H 1 89 PHE QD 3.808 . 3.808 2.732 2.077 3.048 . 0 0 "[ . 1 . 2]" 1
613 1 89 PHE H 1 89 PHE QE 5.600 . 5.600 4.681 4.213 4.963 . 0 0 "[ . 1 . 2]" 1
614 1 89 PHE H 1 91 PHE QE 5.600 . 5.600 4.550 3.795 4.998 . 0 0 "[ . 1 . 2]" 1
615 1 7 ALA HA 1 90 SER H 5.000 . 5.000 4.496 4.312 4.759 . 0 0 "[ . 1 . 2]" 1
616 1 7 ALA MB 1 90 SER H 5.600 . 5.600 3.308 2.953 3.563 . 0 0 "[ . 1 . 2]" 1
617 1 8 ILE HB 1 90 SER H 3.400 . 3.400 2.313 2.229 2.399 . 0 0 "[ . 1 . 2]" 1
618 1 8 ILE MD 1 90 SER H 6.000 . 6.000 4.130 3.987 4.356 . 0 0 "[ . 1 . 2]" 1
619 1 8 ILE MG 1 90 SER H 6.000 . 6.000 3.671 3.595 3.767 . 0 0 "[ . 1 . 2]" 1
620 1 8 ILE H 1 90 SER H 5.000 . 5.000 2.197 2.031 2.430 . 0 0 "[ . 1 . 2]" 1
621 1 9 PHE HA 1 90 SER H 5.000 . 5.000 4.288 4.196 4.443 . 0 0 "[ . 1 . 2]" 1
622 1 89 PHE HA 1 90 SER H 2.800 . 2.800 2.151 2.136 2.161 . 0 0 "[ . 1 . 2]" 1
623 1 89 PHE QB 1 90 SER H 3.808 . 3.808 3.361 3.152 3.391 . 0 0 "[ . 1 . 2]" 1
624 1 89 PHE QD 1 90 SER H 5.600 . 5.600 4.502 4.219 4.852 . 0 0 "[ . 1 . 2]" 1
625 1 89 PHE H 1 90 SER H 5.000 . 5.000 4.185 4.090 4.290 . 0 0 "[ . 1 . 2]" 1
626 1 90 SER H 1 90 SER QB 3.808 . 3.808 2.669 2.285 2.844 . 0 0 "[ . 1 . 2]" 1
627 1 59 MET HA 1 91 PHE H 5.000 . 5.000 1.964 1.845 2.185 . 0 0 "[ . 1 . 2]" 1
628 1 90 SER HA 1 91 PHE H 3.400 . 3.400 2.137 2.123 2.151 . 0 0 "[ . 1 . 2]" 1
629 1 90 SER QB 1 91 PHE H 5.600 . 5.600 3.508 3.395 3.794 . 0 0 "[ . 1 . 2]" 1
630 1 90 SER H 1 91 PHE H 5.000 . 5.000 4.356 4.316 4.398 . 0 0 "[ . 1 . 2]" 1
631 1 91 PHE H 1 91 PHE QB 3.808 . 3.808 2.320 2.224 2.442 . 0 0 "[ . 1 . 2]" 1
632 1 91 PHE H 1 91 PHE QD 3.808 . 3.808 2.231 1.935 2.449 . 0 0 "[ . 1 . 2]" 1
633 1 91 PHE H 1 91 PHE QE 5.600 . 5.600 4.542 4.237 4.785 . 0 0 "[ . 1 . 2]" 1
634 1 8 ILE MD 1 92 ASN HD21 6.000 . 6.000 3.074 2.254 4.921 . 0 0 "[ . 1 . 2]" 1
635 1 8 ILE MD 1 92 ASN HD22 6.000 . 6.000 3.361 2.299 4.996 . 0 0 "[ . 1 . 2]" 1
636 1 92 ASN QB 1 92 ASN HD22 3.808 . 3.808 3.241 3.214 3.373 . 0 0 "[ . 1 . 2]" 1
637 1 91 PHE HA 1 92 ASN H 3.400 . 3.400 2.207 2.164 2.349 . 0 0 "[ . 1 . 2]" 1
638 1 91 PHE QB 1 92 ASN H 5.600 . 5.600 2.926 2.525 3.102 . 0 0 "[ . 1 . 2]" 1
639 1 91 PHE QD 1 92 ASN H 5.600 . 5.600 4.102 3.719 4.386 . 0 0 "[ . 1 . 2]" 1
640 1 92 ASN H 1 92 ASN QB 3.808 . 3.808 2.270 2.218 2.389 . 0 0 "[ . 1 . 2]" 1
641 1 92 ASN H 1 93 ASN H 3.400 . 3.400 2.851 2.590 3.153 . 0 0 "[ . 1 . 2]" 1
642 1 93 ASN HD21 1 96 VAL QG 5.600 . 5.600 2.851 2.757 3.083 . 0 0 "[ . 1 . 2]" 1
643 1 93 ASN HA 1 93 ASN HD22 5.000 . 5.000 4.415 4.254 4.458 . 0 0 "[ . 1 . 2]" 1
644 1 93 ASN QB 1 93 ASN HD22 3.808 . 3.808 3.210 3.207 3.216 . 0 0 "[ . 1 . 2]" 1
645 1 93 ASN HD22 1 96 VAL QG 5.600 . 5.600 4.146 3.817 4.170 . 0 0 "[ . 1 . 2]" 1
646 1 91 PHE QB 1 93 ASN H 3.808 . 3.808 2.538 2.334 2.821 . 0 0 "[ . 1 . 2]" 1
647 1 91 PHE QD 1 93 ASN H 5.600 . 5.600 4.337 3.898 4.842 . 0 0 "[ . 1 . 2]" 1
648 1 91 PHE H 1 93 ASN H 5.000 . 5.000 4.941 4.817 5.046 0.046 4 0 "[ . 1 . 2]" 1
649 1 92 ASN HA 1 93 ASN H 3.400 . 3.400 2.868 2.746 2.955 . 0 0 "[ . 1 . 2]" 1
650 1 93 ASN H 1 94 ARG H 5.000 . 5.000 3.779 3.621 3.898 . 0 0 "[ . 1 . 2]" 1
651 1 93 ASN H 1 96 VAL HB 5.000 . 5.000 4.654 3.815 4.834 . 0 0 "[ . 1 . 2]" 1
652 1 93 ASN H 1 96 VAL QG 5.600 . 5.600 3.348 3.138 4.159 . 0 0 "[ . 1 . 2]" 1
653 1 93 ASN H 1 97 MET QG 5.600 . 5.600 4.514 3.626 4.725 . 0 0 "[ . 1 . 2]" 1
654 1 93 ASN HA 1 94 ARG H 3.400 . 3.400 2.134 2.123 2.145 . 0 0 "[ . 1 . 2]" 1
655 1 93 ASN QB 1 94 ARG H 5.600 . 5.600 3.583 3.423 3.819 . 0 0 "[ . 1 . 2]" 1
656 1 94 ARG H 1 94 ARG QB 3.808 . 3.808 2.158 2.041 2.261 . 0 0 "[ . 1 . 2]" 1
657 1 94 ARG H 1 95 THR H 5.000 . 5.000 2.694 2.584 2.758 . 0 0 "[ . 1 . 2]" 1
658 1 94 ARG H 1 96 VAL H 5.000 . 5.000 4.563 4.328 4.678 . 0 0 "[ . 1 . 2]" 1
659 1 93 ASN HA 1 95 THR H 3.400 . 3.400 3.464 3.454 3.484 0.084 3 0 "[ . 1 . 2]" 1
660 1 93 ASN QB 1 95 THR H 5.600 . 5.600 2.637 2.455 3.302 . 0 0 "[ . 1 . 2]" 1
661 1 94 ARG HA 1 95 THR H 3.400 . 3.400 3.417 3.388 3.442 0.042 4 0 "[ . 1 . 2]" 1
662 1 94 ARG QB 1 95 THR H 3.808 . 3.808 3.106 2.989 3.189 . 0 0 "[ . 1 . 2]" 1
663 1 94 ARG QG 1 95 THR H 5.600 . 5.600 4.370 4.011 4.771 . 0 0 "[ . 1 . 2]" 1
664 1 95 THR H 1 95 THR HB 2.800 . 2.800 2.378 2.060 2.950 0.150 4 0 "[ . 1 . 2]" 1
665 1 95 THR H 1 95 THR MG 4.080 . 4.080 3.462 3.434 3.506 . 0 0 "[ . 1 . 2]" 1
666 1 95 THR H 1 96 VAL H 3.400 . 3.400 2.547 2.456 2.620 . 0 0 "[ . 1 . 2]" 1
667 1 95 THR H 1 97 MET H 5.000 . 5.000 3.970 3.775 4.107 . 0 0 "[ . 1 . 2]" 1
668 1 95 THR H 1 98 ASP H 5.000 . 5.000 4.342 4.285 4.586 . 0 0 "[ . 1 . 2]" 1
669 1 93 ASN QB 1 96 VAL H 5.600 . 5.600 2.284 2.095 2.358 . 0 0 "[ . 1 . 2]" 1
670 1 93 ASN HD21 1 96 VAL H 5.000 . 5.000 4.234 3.214 4.605 . 0 0 "[ . 1 . 2]" 1
671 1 95 THR HA 1 96 VAL H 5.000 . 5.000 3.530 3.507 3.547 . 0 0 "[ . 1 . 2]" 1
672 1 95 THR HB 1 96 VAL H 3.400 . 3.400 2.751 2.528 2.909 . 0 0 "[ . 1 . 2]" 1
673 1 96 VAL H 1 96 VAL HB 3.400 . 3.400 3.069 2.363 3.175 . 0 0 "[ . 1 . 2]" 1
674 1 96 VAL H 1 96 VAL QG 3.136 . 3.136 1.819 1.756 2.328 0.044 19 0 "[ . 1 . 2]" 1
675 1 96 VAL H 1 97 MET H 3.400 . 3.400 2.611 2.558 2.727 . 0 0 "[ . 1 . 2]" 1
676 1 96 VAL H 1 98 ASP H 5.000 . 5.000 3.877 3.775 4.219 . 0 0 "[ . 1 . 2]" 1
677 1 91 PHE QB 1 97 MET H 5.600 . 5.600 3.224 2.933 3.528 . 0 0 "[ . 1 . 2]" 1
678 1 91 PHE QD 1 97 MET H 3.808 . 3.808 3.009 2.177 3.416 . 0 0 "[ . 1 . 2]" 1
679 1 94 ARG HA 1 97 MET H 3.400 . 3.400 3.445 3.433 3.472 0.072 4 0 "[ . 1 . 2]" 1
680 1 96 VAL HA 1 97 MET H 5.000 . 5.000 3.539 3.523 3.557 . 0 0 "[ . 1 . 2]" 1
681 1 96 VAL QG 1 97 MET H 3.808 . 3.808 2.870 2.858 2.889 . 0 0 "[ . 1 . 2]" 1
682 1 97 MET H 1 97 MET QB 3.808 . 3.808 2.309 2.218 2.803 . 0 0 "[ . 1 . 2]" 1
683 1 97 MET H 1 97 MET QG 3.808 . 3.808 2.605 1.919 2.766 . 0 0 "[ . 1 . 2]" 1
684 1 97 MET H 1 98 ASP H 3.400 . 3.400 2.626 2.553 2.766 . 0 0 "[ . 1 . 2]" 1
685 1 97 MET H 1 99 ASN H 5.000 . 5.000 3.981 3.827 4.061 . 0 0 "[ . 1 . 2]" 1
686 1 94 ARG HA 1 98 ASP H 5.000 . 5.000 3.649 3.557 3.991 . 0 0 "[ . 1 . 2]" 1
687 1 95 THR HA 1 98 ASP H 3.400 . 3.400 3.468 3.455 3.478 0.078 10 0 "[ . 1 . 2]" 1
688 1 95 THR MG 1 98 ASP H 6.000 . 6.000 4.804 4.668 4.978 . 0 0 "[ . 1 . 2]" 1
689 1 97 MET QB 1 98 ASP H 3.808 . 3.808 3.335 2.366 3.460 . 0 0 "[ . 1 . 2]" 1
690 1 97 MET ME 1 98 ASP H 5.600 . 5.600 4.649 4.306 4.692 . 0 0 "[ . 1 . 2]" 1
691 1 97 MET QG 1 98 ASP H 3.808 . 3.808 2.091 1.892 3.467 . 0 0 "[ . 1 . 2]" 1
692 1 98 ASP H 1 98 ASP QB 3.808 . 3.808 2.224 2.128 2.277 . 0 0 "[ . 1 . 2]" 1
693 1 98 ASP H 1 99 ASN H 3.400 . 3.400 2.553 2.445 2.711 . 0 0 "[ . 1 . 2]" 1
694 1 96 VAL HA 1 99 ASN HD21 5.000 . 5.000 2.828 2.043 5.004 0.004 5 0 "[ . 1 . 2]" 1
695 1 95 THR MG 1 99 ASN HD22 4.080 . 4.080 2.720 2.050 3.400 . 0 0 "[ . 1 . 2]" 1
696 1 96 VAL HA 1 99 ASN HD22 5.000 . 5.000 4.111 2.704 4.955 . 0 0 "[ . 1 . 2]" 1
697 1 99 ASN HA 1 99 ASN HD22 5.000 . 5.000 4.399 3.669 4.823 . 0 0 "[ . 1 . 2]" 1
698 1 95 THR HA 1 99 ASN H 5.000 . 5.000 4.288 3.955 4.670 . 0 0 "[ . 1 . 2]" 1
699 1 96 VAL HA 1 99 ASN H 3.400 . 3.400 3.409 3.342 3.438 0.038 4 0 "[ . 1 . 2]" 1
700 1 97 MET HA 1 99 ASN H 5.000 . 5.000 4.029 3.847 4.250 . 0 0 "[ . 1 . 2]" 1
701 1 98 ASP HA 1 99 ASN H 3.400 . 3.400 3.465 3.435 3.478 0.078 18 0 "[ . 1 . 2]" 1
702 1 98 ASP QB 1 99 ASN H 3.808 . 3.808 2.815 2.709 2.954 . 0 0 "[ . 1 . 2]" 1
703 1 99 ASN H 1 99 ASN QB 3.808 . 3.808 2.331 2.095 2.598 . 0 0 "[ . 1 . 2]" 1
704 1 99 ASN H 1 101 LYS H 5.000 . 5.000 4.208 3.955 4.372 . 0 0 "[ . 1 . 2]" 1
705 1 60 LEU MD1 1 100 ILE H 6.000 . 6.000 3.610 3.301 3.806 . 0 0 "[ . 1 . 2]" 1
706 1 98 ASP H 1 100 ILE H 5.000 . 5.000 4.180 3.761 4.667 . 0 0 "[ . 1 . 2]" 1
707 1 99 ASN HA 1 100 ILE H 5.000 . 5.000 3.522 3.456 3.577 . 0 0 "[ . 1 . 2]" 1
708 1 99 ASN QB 1 100 ILE H 3.808 . 3.808 2.546 1.998 2.949 . 0 0 "[ . 1 . 2]" 1
709 1 99 ASN HD21 1 100 ILE H 5.000 . 5.000 4.617 4.125 4.973 . 0 0 "[ . 1 . 2]" 1
710 1 100 ILE H 1 100 ILE HB 3.400 . 3.400 2.468 2.304 2.636 . 0 0 "[ . 1 . 2]" 1
711 1 100 ILE H 1 100 ILE QG 4.080 . 4.080 2.283 1.917 2.761 . 0 0 "[ . 1 . 2]" 1
712 1 100 ILE H 1 101 LYS H 3.400 . 3.400 2.755 2.485 3.026 . 0 0 "[ . 1 . 2]" 1
713 1 60 LEU MD1 1 101 LYS H 4.080 . 4.080 1.994 1.857 2.330 . 0 0 "[ . 1 . 2]" 1
714 1 60 LEU MD2 1 101 LYS H 5.600 . 5.600 3.487 3.326 3.655 . 0 0 "[ . 1 . 2]" 1
715 1 98 ASP HA 1 101 LYS H 5.000 . 5.000 4.202 3.733 4.644 . 0 0 "[ . 1 . 2]" 1
716 1 100 ILE HB 1 101 LYS H 3.400 . 3.400 2.222 2.096 2.422 . 0 0 "[ . 1 . 2]" 1
717 1 100 ILE MD 1 101 LYS H 6.000 . 6.000 4.645 4.593 4.783 . 0 0 "[ . 1 . 2]" 1
718 1 100 ILE MG 1 101 LYS H 4.080 . 4.080 2.940 2.649 3.293 . 0 0 "[ . 1 . 2]" 1
719 1 101 LYS H 1 101 LYS QD 5.600 . 5.600 4.601 4.387 4.803 . 0 0 "[ . 1 . 2]" 1
720 1 101 LYS H 1 102 MET H 3.400 . 3.400 2.822 2.738 2.884 . 0 0 "[ . 1 . 2]" 1
721 1 60 LEU MD1 1 102 MET H 6.000 . 6.000 4.217 4.055 4.517 . 0 0 "[ . 1 . 2]" 1
722 1 98 ASP HA 1 102 MET H 5.000 . 5.000 4.136 3.810 4.397 . 0 0 "[ . 1 . 2]" 1
723 1 99 ASN HA 1 102 MET H 5.000 . 5.000 3.890 3.636 4.171 . 0 0 "[ . 1 . 2]" 1
724 1 100 ILE MG 1 102 MET H 6.000 . 6.000 4.568 4.303 4.817 . 0 0 "[ . 1 . 2]" 1
725 1 101 LYS HA 1 102 MET H 5.000 . 5.000 3.506 3.480 3.541 . 0 0 "[ . 1 . 2]" 1
726 1 101 LYS QD 1 102 MET H 5.600 . 5.600 4.126 3.522 5.037 . 0 0 "[ . 1 . 2]" 1
727 1 101 LYS QE 1 102 MET H 5.600 . 5.600 4.626 3.734 4.991 . 0 0 "[ . 1 . 2]" 1
728 1 101 LYS QG 1 102 MET H 5.600 . 5.600 3.932 2.435 4.375 . 0 0 "[ . 1 . 2]" 1
729 1 102 MET H 1 102 MET QB 3.808 . 3.808 2.363 2.151 2.701 . 0 0 "[ . 1 . 2]" 1
730 1 102 MET H 1 102 MET QG 3.808 . 3.808 2.603 1.925 3.139 . 0 0 "[ . 1 . 2]" 1
731 1 102 MET H 1 103 THR HA 5.000 . 5.000 5.044 5.027 5.084 0.084 3 0 "[ . 1 . 2]" 1
732 1 102 MET H 1 103 THR H 3.400 . 3.400 2.425 2.390 2.492 . 0 0 "[ . 1 . 2]" 1
733 1 102 MET H 1 104 LEU H 5.000 . 5.000 4.079 3.677 4.400 . 0 0 "[ . 1 . 2]" 1
734 1 102 MET H 1 105 GLN H 5.000 . 5.000 4.912 4.798 5.014 0.014 18 0 "[ . 1 . 2]" 1
735 1 99 ASN HA 1 103 THR H 5.000 . 5.000 4.266 3.915 4.674 . 0 0 "[ . 1 . 2]" 1
736 1 100 ILE HA 1 103 THR H 3.400 . 3.400 3.232 3.110 3.404 0.004 5 0 "[ . 1 . 2]" 1
737 1 100 ILE MD 1 103 THR H 6.000 . 6.000 5.044 5.026 5.062 . 0 0 "[ . 1 . 2]" 1
738 1 102 MET HA 1 103 THR H 5.000 . 5.000 3.528 3.495 3.558 . 0 0 "[ . 1 . 2]" 1
739 1 102 MET QB 1 103 THR H 3.808 . 3.808 3.105 2.552 3.459 . 0 0 "[ . 1 . 2]" 1
740 1 102 MET QG 1 103 THR H 5.600 . 5.600 3.185 1.834 4.426 . 0 0 "[ . 1 . 2]" 1
741 1 103 THR H 1 103 THR HB 3.400 . 3.400 2.565 2.097 3.071 . 0 0 "[ . 1 . 2]" 1
742 1 103 THR H 1 103 THR MG 4.080 . 4.080 3.492 3.452 3.542 . 0 0 "[ . 1 . 2]" 1
743 1 103 THR H 1 104 LEU H 3.400 . 3.400 2.634 2.261 2.938 . 0 0 "[ . 1 . 2]" 1
744 1 103 THR H 1 105 GLN H 5.000 . 5.000 4.305 4.116 4.507 . 0 0 "[ . 1 . 2]" 1
745 1 48 LEU MD1 1 104 LEU H 6.000 . 6.000 4.611 4.407 5.003 . 0 0 "[ . 1 . 2]" 1
746 1 103 THR HB 1 104 LEU H 3.400 . 3.400 2.689 2.123 3.265 . 0 0 "[ . 1 . 2]" 1
747 1 104 LEU H 1 104 LEU QB 3.808 . 3.808 2.535 2.131 2.722 . 0 0 "[ . 1 . 2]" 1
748 1 104 LEU H 1 104 LEU HG 3.400 . 3.400 2.136 1.788 3.073 0.012 1 0 "[ . 1 . 2]" 1
749 1 104 LEU H 1 105 GLN H 5.000 . 5.000 2.826 2.471 2.990 . 0 0 "[ . 1 . 2]" 1
750 1 48 LEU QD 1 105 GLN HE22 3.808 . 3.808 2.811 2.401 2.847 . 0 0 "[ . 1 . 2]" 1
751 1 102 MET HA 1 105 GLN H 5.000 . 5.000 3.746 3.501 3.900 . 0 0 "[ . 1 . 2]" 1
752 1 105 GLN H 1 105 GLN QB 3.808 . 3.808 2.324 2.033 2.706 . 0 0 "[ . 1 . 2]" 1
753 1 105 GLN H 1 105 GLN QG 3.808 . 3.808 2.610 1.862 3.396 . 0 0 "[ . 1 . 2]" 1
754 1 105 GLN H 1 106 GLN H 3.400 . 3.400 2.748 2.496 2.856 . 0 0 "[ . 1 . 2]" 1
755 1 103 THR HA 1 106 GLN HE21 5.000 . 5.000 3.548 2.194 4.867 . 0 0 "[ . 1 . 2]" 1
756 1 103 THR HA 1 106 GLN HE22 5.000 . 5.000 4.364 3.347 5.010 0.010 12 0 "[ . 1 . 2]" 1
757 1 106 GLN HE22 1 106 GLN QG 3.808 . 3.808 3.290 3.216 3.397 . 0 0 "[ . 1 . 2]" 1
758 1 102 MET HA 1 106 GLN H 5.000 . 5.000 3.981 3.775 4.386 . 0 0 "[ . 1 . 2]" 1
759 1 103 THR HA 1 106 GLN H 3.400 . 3.400 3.444 3.410 3.497 0.097 8 0 "[ . 1 . 2]" 1
760 1 103 THR MG 1 106 GLN H 6.000 . 6.000 4.840 4.760 5.004 . 0 0 "[ . 1 . 2]" 1
761 1 104 LEU H 1 106 GLN H 5.000 . 5.000 4.123 3.791 4.388 . 0 0 "[ . 1 . 2]" 1
762 1 105 GLN HA 1 106 GLN H 5.000 . 5.000 3.560 3.519 3.608 . 0 0 "[ . 1 . 2]" 1
763 1 106 GLN H 1 106 GLN QB 3.808 . 3.808 2.247 2.074 2.766 . 0 0 "[ . 1 . 2]" 1
764 1 106 GLN H 1 106 GLN QG 3.808 . 3.808 2.744 1.898 3.219 . 0 0 "[ . 1 . 2]" 1
765 1 106 GLN H 1 107 ILE H 3.400 . 3.400 2.744 2.634 2.822 . 0 0 "[ . 1 . 2]" 1
766 1 106 GLN HA 1 107 ILE H 5.000 . 5.000 3.485 3.464 3.493 . 0 0 "[ . 1 . 2]" 1
767 1 106 GLN QB 1 107 ILE H 3.808 . 3.808 2.920 2.725 3.440 . 0 0 "[ . 1 . 2]" 1
768 1 107 ILE H 1 107 ILE HB 3.400 . 3.400 2.659 2.619 2.696 . 0 0 "[ . 1 . 2]" 1
769 1 107 ILE H 1 107 ILE MD 4.080 . 4.080 3.277 2.876 3.407 . 0 0 "[ . 1 . 2]" 1
770 1 107 ILE H 1 108 ILE H 3.400 . 3.400 2.440 2.406 2.578 . 0 0 "[ . 1 . 2]" 1
771 1 105 GLN HA 1 108 ILE H 5.000 . 5.000 3.205 3.057 3.365 . 0 0 "[ . 1 . 2]" 1
772 1 106 GLN HA 1 108 ILE H 5.000 . 5.000 4.993 4.873 5.014 0.014 5 0 "[ . 1 . 2]" 1
773 1 106 GLN H 1 108 ILE H 5.000 . 5.000 4.355 4.185 4.502 . 0 0 "[ . 1 . 2]" 1
774 1 107 ILE HA 1 108 ILE H 5.000 . 5.000 3.541 3.534 3.557 . 0 0 "[ . 1 . 2]" 1
775 1 107 ILE MD 1 108 ILE H 6.000 . 6.000 3.943 3.721 4.077 . 0 0 "[ . 1 . 2]" 1
776 1 107 ILE MG 1 108 ILE H 4.080 . 4.080 3.515 3.471 3.536 . 0 0 "[ . 1 . 2]" 1
777 1 108 ILE H 1 108 ILE HB 2.800 . 2.800 2.773 2.737 2.808 0.008 6 0 "[ . 1 . 2]" 1
778 1 108 ILE H 1 108 ILE QG 4.080 . 4.080 2.025 1.992 2.064 . 0 0 "[ . 1 . 2]" 1
779 1 108 ILE H 1 109 SER H 3.400 . 3.400 3.054 2.996 3.097 . 0 0 "[ . 1 . 2]" 1
780 1 105 GLN HA 1 109 SER H 5.000 . 5.000 3.429 3.180 3.729 . 0 0 "[ . 1 . 2]" 1
781 1 107 ILE HA 1 109 SER H 5.000 . 5.000 4.674 4.620 4.771 . 0 0 "[ . 1 . 2]" 1
782 1 108 ILE HA 1 109 SER H 3.400 . 3.400 3.516 3.513 3.519 0.119 1 0 "[ . 1 . 2]" 1
783 1 108 ILE HB 1 109 SER H 3.400 . 3.400 2.147 2.081 2.183 . 0 0 "[ . 1 . 2]" 1
784 1 108 ILE QG 1 109 SER H 4.080 . 4.080 3.673 3.659 3.692 . 0 0 "[ . 1 . 2]" 1
785 1 108 ILE MG 1 109 SER H 4.080 . 4.080 3.194 3.089 3.265 . 0 0 "[ . 1 . 2]" 1
786 1 109 SER H 1 109 SER QB 3.808 . 3.808 2.580 2.074 2.879 . 0 0 "[ . 1 . 2]" 1
787 1 109 SER H 1 110 ARG H 3.400 . 3.400 2.809 2.785 2.820 . 0 0 "[ . 1 . 2]" 1
788 1 109 SER H 1 111 TYR H 5.000 . 5.000 4.228 4.208 4.271 . 0 0 "[ . 1 . 2]" 1
789 1 107 ILE HA 1 110 ARG H 5.000 . 5.000 3.536 3.510 3.567 . 0 0 "[ . 1 . 2]" 1
790 1 107 ILE MG 1 110 ARG H 6.000 . 6.000 4.136 4.094 4.184 . 0 0 "[ . 1 . 2]" 1
791 1 108 ILE HA 1 110 ARG H 5.000 . 5.000 3.850 3.811 3.894 . 0 0 "[ . 1 . 2]" 1
792 1 108 ILE MG 1 110 ARG H 6.000 . 6.000 4.535 4.478 4.581 . 0 0 "[ . 1 . 2]" 1
793 1 108 ILE H 1 110 ARG H 5.000 . 5.000 4.074 4.041 4.110 . 0 0 "[ . 1 . 2]" 1
794 1 109 SER HA 1 110 ARG H 3.400 . 3.400 3.454 3.446 3.462 0.062 13 0 "[ . 1 . 2]" 1
795 1 109 SER QB 1 110 ARG H 3.808 . 3.808 3.129 2.847 3.409 . 0 0 "[ . 1 . 2]" 1
796 1 110 ARG H 1 110 ARG QD 5.600 . 5.600 4.106 3.731 4.685 . 0 0 "[ . 1 . 2]" 1
797 1 110 ARG H 1 110 ARG QG 3.808 . 3.808 2.656 1.972 3.416 . 0 0 "[ . 1 . 2]" 1
798 1 110 ARG H 1 111 TYR H 3.400 . 3.400 2.501 2.474 2.521 . 0 0 "[ . 1 . 2]" 1
799 1 110 ARG H 1 113 ASP H 5.000 . 5.000 4.454 4.424 4.490 . 0 0 "[ . 1 . 2]" 1
800 1 107 ILE MG 1 111 TYR H 6.000 . 6.000 4.576 4.557 4.598 . 0 0 "[ . 1 . 2]" 1
801 1 108 ILE HA 1 111 TYR H 3.400 . 3.400 3.335 3.300 3.377 . 0 0 "[ . 1 . 2]" 1
802 1 108 ILE MG 1 111 TYR H 6.000 . 6.000 4.036 4.005 4.058 . 0 0 "[ . 1 . 2]" 1
803 1 109 SER HA 1 111 TYR H 5.000 . 5.000 3.949 3.901 3.971 . 0 0 "[ . 1 . 2]" 1
804 1 110 ARG HA 1 111 TYR H 3.400 . 3.400 3.454 3.451 3.459 0.059 7 0 "[ . 1 . 2]" 1
805 1 110 ARG QB 1 111 TYR H 3.808 . 3.808 3.057 2.943 3.389 . 0 0 "[ . 1 . 2]" 1
806 1 110 ARG QG 1 111 TYR H 5.600 . 5.600 3.917 2.916 4.604 . 0 0 "[ . 1 . 2]" 1
807 1 111 TYR H 1 111 TYR QB 3.808 . 3.808 2.759 2.745 2.777 . 0 0 "[ . 1 . 2]" 1
808 1 111 TYR H 1 111 TYR QD 3.808 . 3.808 2.204 2.102 2.276 . 0 0 "[ . 1 . 2]" 1
809 1 111 TYR H 1 111 TYR QE 5.600 . 5.600 3.847 3.833 3.869 . 0 0 "[ . 1 . 2]" 1
810 1 111 TYR H 1 112 LYS HA 5.000 . 5.000 5.053 5.042 5.062 0.062 11 0 "[ . 1 . 2]" 1
811 1 111 TYR H 1 113 ASP H 5.000 . 5.000 3.713 3.683 3.730 . 0 0 "[ . 1 . 2]" 1
812 1 108 ILE MG 1 112 LYS H 6.000 . 6.000 4.132 4.086 4.169 . 0 0 "[ . 1 . 2]" 1
813 1 109 SER HA 1 112 LYS H 3.400 . 3.400 3.399 3.328 3.418 0.018 2 0 "[ . 1 . 2]" 1
814 1 109 SER QB 1 112 LYS H 5.600 . 5.600 4.872 4.796 5.029 . 0 0 "[ . 1 . 2]" 1
815 1 110 ARG HA 1 112 LYS H 5.000 . 5.000 4.183 4.103 4.245 . 0 0 "[ . 1 . 2]" 1
816 1 110 ARG H 1 112 LYS H 5.000 . 5.000 4.075 4.029 4.109 . 0 0 "[ . 1 . 2]" 1
817 1 111 TYR HA 1 112 LYS H 5.000 . 5.000 3.484 3.480 3.492 . 0 0 "[ . 1 . 2]" 1
818 1 111 TYR QB 1 112 LYS H 5.600 . 5.600 2.728 2.667 2.767 . 0 0 "[ . 1 . 2]" 1
819 1 111 TYR QD 1 112 LYS H 5.600 . 5.600 4.083 4.054 4.096 . 0 0 "[ . 1 . 2]" 1
820 1 111 TYR H 1 112 LYS H 3.400 . 3.400 2.389 2.377 2.404 . 0 0 "[ . 1 . 2]" 1
821 1 112 LYS H 1 112 LYS QB 3.808 . 3.808 3.000 2.994 3.006 . 0 0 "[ . 1 . 2]" 1
822 1 112 LYS H 1 112 LYS QE 3.808 . 3.808 3.518 3.506 3.532 . 0 0 "[ . 1 . 2]" 1
823 1 112 LYS H 1 112 LYS QG 3.808 . 3.808 1.930 1.915 1.943 . 0 0 "[ . 1 . 2]" 1
824 1 112 LYS H 1 113 ASP H 3.400 . 3.400 2.221 2.200 2.249 . 0 0 "[ . 1 . 2]" 1
825 1 109 SER HA 1 113 ASP H 5.000 . 5.000 3.739 3.663 3.785 . 0 0 "[ . 1 . 2]" 1
826 1 109 SER QB 1 113 ASP H 5.600 . 5.600 4.459 4.270 4.898 . 0 0 "[ . 1 . 2]" 1
827 1 110 ARG HA 1 113 ASP H 5.000 . 5.000 3.300 3.207 3.363 . 0 0 "[ . 1 . 2]" 1
828 1 111 TYR QB 1 113 ASP H 5.600 . 5.600 4.679 4.645 4.706 . 0 0 "[ . 1 . 2]" 1
829 1 112 LYS HA 1 113 ASP H 3.400 . 3.400 3.457 3.456 3.459 0.059 4 0 "[ . 1 . 2]" 1
830 1 112 LYS QB 1 113 ASP H 3.808 . 3.808 2.922 2.907 2.963 . 0 0 "[ . 1 . 2]" 1
831 1 112 LYS QD 1 113 ASP H 3.808 . 3.808 3.519 3.505 3.529 . 0 0 "[ . 1 . 2]" 1
832 1 112 LYS QE 1 113 ASP H 5.600 . 5.600 4.867 4.853 4.920 . 0 0 "[ . 1 . 2]" 1
833 1 112 LYS QG 1 113 ASP H 5.600 . 5.600 2.290 2.251 2.335 . 0 0 "[ . 1 . 2]" 1
834 1 113 ASP H 1 113 ASP HA 2.800 . 2.800 2.817 2.815 2.820 0.020 1 0 "[ . 1 . 2]" 1
835 1 113 ASP H 1 113 ASP QB 3.136 . 3.136 2.269 2.260 2.302 . 0 0 "[ . 1 . 2]" 1
836 1 113 ASP H 1 114 ALA H 3.400 . 3.400 2.525 2.519 2.535 . 0 0 "[ . 1 . 2]" 1
837 1 111 TYR QD 1 114 ALA H 5.600 . 5.600 5.040 5.035 5.052 . 0 0 "[ . 1 . 2]" 1
838 1 111 TYR H 1 114 ALA H 5.000 . 5.000 4.215 4.201 4.225 . 0 0 "[ . 1 . 2]" 1
839 1 112 LYS H 1 114 ALA H 3.400 . 3.400 3.469 3.460 3.480 0.080 11 0 "[ . 1 . 2]" 1
840 1 113 ASP HA 1 114 ALA H 3.400 . 3.400 3.466 3.463 3.469 0.069 1 0 "[ . 1 . 2]" 1
841 1 113 ASP QB 1 114 ALA H 3.136 . 3.136 2.760 2.736 2.795 . 0 0 "[ . 1 . 2]" 1
842 1 114 ALA H 1 114 ALA HA 2.800 . 2.800 2.903 2.900 2.904 0.104 1 0 "[ . 1 . 2]" 1
843 1 114 ALA H 1 114 ALA MB 3.136 . 3.136 2.324 2.310 2.333 . 0 0 "[ . 1 . 2]" 1
844 1 112 LYS QD 1 115 ASP H 5.600 . 5.600 4.876 4.841 4.912 . 0 0 "[ . 1 . 2]" 1
845 1 112 LYS QG 1 115 ASP H 5.600 . 5.600 5.058 5.053 5.077 . 0 0 "[ . 1 . 2]" 1
846 1 114 ALA HA 1 115 ASP H 3.400 . 3.400 3.420 3.414 3.432 0.032 10 0 "[ . 1 . 2]" 1
847 1 114 ALA H 1 115 ASP H 2.800 . 2.800 2.196 2.185 2.208 . 0 0 "[ . 1 . 2]" 1
848 1 115 ASP H 1 115 ASP QB 3.136 . 3.136 2.306 2.125 2.801 . 0 0 "[ . 1 . 2]" 1
849 1 2 SER HA 1 99 ASN QB 5.600 . 5.600 2.438 1.917 3.452 . 0 0 "[ . 1 . 2]" 1
850 1 3 HIS HA 1 3 HIS HD2 3.400 . 3.400 2.419 2.039 3.055 . 0 0 "[ . 1 . 2]" 1
851 1 3 HIS HA 1 18 ILE MD 3.360 . 3.360 2.605 2.309 2.816 . 0 0 "[ . 1 . 2]" 1
852 1 3 HIS HA 1 18 ILE MG 4.080 . 4.080 3.437 3.414 3.465 . 0 0 "[ . 1 . 2]" 1
853 1 4 SER HA 1 16 ILE MG 4.080 . 4.080 3.408 3.358 3.435 . 0 0 "[ . 1 . 2]" 1
854 1 4 SER HA 1 17 ALA MB 3.808 . 3.808 3.021 2.875 3.196 . 0 0 "[ . 1 . 2]" 1
855 1 4 SER HA 1 100 ILE MD 4.080 . 4.080 2.928 2.818 3.029 . 0 0 "[ . 1 . 2]" 1
856 1 4 SER QB 1 15 ILE MG 4.570 . 4.570 3.410 3.400 3.424 . 0 0 "[ . 1 . 2]" 1
857 1 4 SER QB 1 17 ALA HA 3.808 . 3.808 3.013 2.760 3.158 . 0 0 "[ . 1 . 2]" 1
858 1 4 SER QB 1 100 ILE MD 6.720 . 6.720 4.075 3.957 4.198 . 0 0 "[ . 1 . 2]" 1
859 1 5 GLY QA 1 15 ILE MD 6.720 . 6.720 4.985 4.848 5.002 . 0 0 "[ . 1 . 2]" 1
860 1 5 GLY QA 1 96 VAL MG1 4.570 . 4.570 1.785 1.731 1.847 0.069 7 0 "[ . 1 . 2]" 1
861 1 6 ALA HA 1 15 ILE HA 2.800 . 2.800 1.770 1.758 1.810 0.042 14 0 "[ . 1 . 2]" 1
862 1 6 ALA HA 1 15 ILE QG 6.000 . 6.000 4.473 4.436 4.497 . 0 0 "[ . 1 . 2]" 1
863 1 6 ALA MB 1 7 ALA HA 5.600 . 5.600 3.960 3.904 4.047 . 0 0 "[ . 1 . 2]" 1
864 1 6 ALA MB 1 15 ILE HA 3.808 . 3.808 2.607 2.550 2.683 . 0 0 "[ . 1 . 2]" 1
865 1 6 ALA MB 1 15 ILE MG 3.763 . 3.763 2.671 2.659 2.681 . 0 0 "[ . 1 . 2]" 1
866 1 6 ALA MB 1 96 VAL MG1 4.570 . 4.570 3.176 3.158 3.189 . 0 0 "[ . 1 . 2]" 1
867 1 7 ALA HA 1 91 PHE HA 3.400 . 3.400 2.385 2.143 2.707 . 0 0 "[ . 1 . 2]" 1
868 1 7 ALA HA 1 91 PHE QD 5.600 . 5.600 3.775 3.567 3.961 . 0 0 "[ . 1 . 2]" 1
869 1 7 ALA MB 1 8 ILE HA 5.600 . 5.600 4.127 4.106 4.156 . 0 0 "[ . 1 . 2]" 1
870 1 7 ALA MB 1 16 ILE MD 3.763 . 3.763 2.111 1.957 2.237 . 0 0 "[ . 1 . 2]" 1
871 1 7 ALA MB 1 16 ILE QG 6.720 . 6.720 2.668 2.368 2.920 . 0 0 "[ . 1 . 2]" 1
872 1 7 ALA MB 1 29 TRP HD1 5.600 . 5.600 2.700 2.472 3.026 . 0 0 "[ . 1 . 2]" 1
873 1 7 ALA MB 1 89 PHE HA 5.600 . 5.600 3.220 3.038 3.464 . 0 0 "[ . 1 . 2]" 1
874 1 7 ALA MB 1 89 PHE QB 4.265 . 4.265 1.814 1.729 1.940 0.071 10 0 "[ . 1 . 2]" 1
875 1 7 ALA MB 1 91 PHE HA 5.600 . 5.600 3.203 3.049 3.370 . 0 0 "[ . 1 . 2]" 1
876 1 7 ALA MB 1 91 PHE QD 4.265 . 4.265 2.685 2.259 2.875 . 0 0 "[ . 1 . 2]" 1
877 1 7 ALA MB 1 91 PHE QE 3.512 . 3.512 2.471 2.155 2.602 . 0 0 "[ . 1 . 2]" 1
878 1 8 ILE HA 1 13 SER HA 2.800 . 2.800 2.337 2.192 2.432 . 0 0 "[ . 1 . 2]" 1
879 1 8 ILE HB 1 90 SER QB 3.808 . 3.808 1.916 1.811 1.960 . 0 0 "[ . 1 . 2]" 1
880 1 7 ALA HA 1 8 ILE MD 4.080 . 4.080 2.711 2.577 3.325 . 0 0 "[ . 1 . 2]" 1
881 1 8 ILE HA 1 8 ILE MD 3.360 . 3.360 1.905 1.873 1.960 . 0 0 "[ . 1 . 2]" 1
882 1 8 ILE MD 1 90 SER QB 4.570 . 4.570 3.419 3.401 3.456 . 0 0 "[ . 1 . 2]" 1
883 1 8 ILE HA 1 8 ILE MG 3.360 . 3.360 2.417 2.395 2.443 . 0 0 "[ . 1 . 2]" 1
884 1 8 ILE MG 1 12 VAL HA 6.000 . 6.000 3.702 3.494 3.810 . 0 0 "[ . 1 . 2]" 1
885 1 8 ILE MG 1 90 SER QB 4.570 . 4.570 3.161 2.947 3.313 . 0 0 "[ . 1 . 2]" 1
886 1 9 PHE HA 1 89 PHE QD 5.600 . 5.600 4.166 3.664 4.363 . 0 0 "[ . 1 . 2]" 1
887 1 10 GLU HA 1 10 GLU QG 3.808 . 3.808 2.321 2.127 2.674 . 0 0 "[ . 1 . 2]" 1
888 1 8 ILE MG 1 11 LYS HA 3.360 . 3.360 2.741 2.633 2.805 . 0 0 "[ . 1 . 2]" 1
889 1 11 LYS HA 1 11 LYS QG 3.136 . 3.136 2.454 2.045 2.794 . 0 0 "[ . 1 . 2]" 1
890 1 8 ILE MG 1 11 LYS QG 6.720 . 6.720 4.260 4.095 4.448 . 0 0 "[ . 1 . 2]" 1
891 1 10 GLU HA 1 11 LYS QG 5.600 . 5.600 3.747 2.987 4.916 . 0 0 "[ . 1 . 2]" 1
892 1 12 VAL HA 1 12 VAL MG1 3.360 . 3.360 2.523 2.500 2.536 . 0 0 "[ . 1 . 2]" 1
893 1 12 VAL HB 1 29 TRP HH2 3.400 . 3.400 2.151 2.094 2.395 . 0 0 "[ . 1 . 2]" 1
894 1 12 VAL HB 1 29 TRP HZ2 5.000 . 5.000 3.096 2.931 3.197 . 0 0 "[ . 1 . 2]" 1
895 1 12 VAL MG1 1 31 SER HA 3.360 . 3.360 2.822 2.812 2.842 . 0 0 "[ . 1 . 2]" 1
896 1 12 VAL MG1 1 36 LYS QD 4.570 . 4.570 3.062 2.484 3.389 . 0 0 "[ . 1 . 2]" 1
897 1 12 VAL HA 1 12 VAL MG2 3.360 . 3.360 2.218 2.194 2.239 . 0 0 "[ . 1 . 2]" 1
898 1 12 VAL MG2 1 36 LYS QE 4.570 . 4.570 3.391 3.389 3.392 . 0 0 "[ . 1 . 2]" 1
899 1 8 ILE MD 1 13 SER HA 4.080 . 4.080 1.904 1.760 1.972 0.040 3 0 "[ . 1 . 2]" 1
900 1 8 ILE QG 1 13 SER HA 4.080 . 4.080 3.648 3.617 3.695 . 0 0 "[ . 1 . 2]" 1
901 1 8 ILE MG 1 13 SER HA 4.080 . 4.080 3.146 2.916 3.236 . 0 0 "[ . 1 . 2]" 1
902 1 8 ILE MD 1 13 SER QB 4.570 . 4.570 2.197 1.974 2.529 . 0 0 "[ . 1 . 2]" 1
903 1 7 ALA MB 1 15 ILE HA 5.600 . 5.600 4.681 4.669 4.701 . 0 0 "[ . 1 . 2]" 1
904 1 6 ALA HA 1 15 ILE MD 3.360 . 3.360 2.742 2.633 2.802 . 0 0 "[ . 1 . 2]" 1
905 1 6 ALA MB 1 15 ILE MD 3.763 . 3.763 1.791 1.765 1.838 0.035 14 0 "[ . 1 . 2]" 1
906 1 15 ILE HA 1 15 ILE MD 3.360 . 3.360 1.946 1.906 2.031 . 0 0 "[ . 1 . 2]" 1
907 1 15 ILE MD 1 32 THR HA 4.080 . 4.080 3.411 3.404 3.416 . 0 0 "[ . 1 . 2]" 1
908 1 4 SER HA 1 15 ILE MG 6.000 . 6.000 4.325 4.143 4.436 . 0 0 "[ . 1 . 2]" 1
909 1 16 ILE HA 1 29 TRP HA 3.400 . 3.400 1.953 1.902 2.019 . 0 0 "[ . 1 . 2]" 1
910 1 16 ILE HA 1 29 TRP HD1 5.000 . 5.000 3.349 3.015 3.659 . 0 0 "[ . 1 . 2]" 1
911 1 7 ALA MB 1 16 ILE HB 3.808 . 3.808 2.571 2.284 2.838 . 0 0 "[ . 1 . 2]" 1
912 1 16 ILE HB 1 29 TRP HA 5.000 . 5.000 4.498 4.312 4.722 . 0 0 "[ . 1 . 2]" 1
913 1 16 ILE HB 1 100 ILE MD 4.080 . 4.080 3.450 3.427 3.471 . 0 0 "[ . 1 . 2]" 1
914 1 16 ILE MD 1 27 LEU HG 6.000 . 6.000 4.283 3.379 4.710 . 0 0 "[ . 1 . 2]" 1
915 1 16 ILE MD 1 89 PHE QB 6.720 . 6.720 2.036 1.889 2.288 . 0 0 "[ . 1 . 2]" 1
916 1 16 ILE MD 1 91 PHE QE 6.720 . 6.720 2.728 2.424 2.987 . 0 0 "[ . 1 . 2]" 1
917 1 16 ILE MD 1 100 ILE MD 4.896 . 4.896 3.409 3.371 3.425 . 0 0 "[ . 1 . 2]" 1
918 1 16 ILE QG 1 29 TRP HA 6.000 . 6.000 2.796 2.560 2.983 . 0 0 "[ . 1 . 2]" 1
919 1 16 ILE MG 1 27 LEU MD1 4.032 . 4.032 2.705 2.259 2.823 . 0 0 "[ . 1 . 2]" 1
920 1 16 ILE MG 1 91 PHE QE 6.720 . 6.720 3.328 2.891 3.769 . 0 0 "[ . 1 . 2]" 1
921 1 4 SER HA 1 17 ALA HA 2.800 . 2.800 1.804 1.774 1.909 0.026 13 0 "[ . 1 . 2]" 1
922 1 16 ILE MG 1 17 ALA HA 4.080 . 4.080 3.061 2.955 3.302 . 0 0 "[ . 1 . 2]" 1
923 1 4 SER QB 1 17 ALA MB 3.512 . 3.512 2.618 2.611 2.626 . 0 0 "[ . 1 . 2]" 1
924 1 15 ILE MG 1 17 ALA MB 3.763 . 3.763 2.718 2.698 2.739 . 0 0 "[ . 1 . 2]" 1
925 1 17 ALA MB 1 28 THR HB 3.808 . 3.808 3.179 3.149 3.187 . 0 0 "[ . 1 . 2]" 1
926 1 18 ILE HA 1 27 LEU HA 3.400 . 3.400 1.952 1.808 2.240 . 0 0 "[ . 1 . 2]" 1
927 1 3 HIS HA 1 18 ILE HB 5.000 . 5.000 2.156 1.969 2.347 . 0 0 "[ . 1 . 2]" 1
928 1 3 HIS QB 1 18 ILE HB 5.600 . 5.600 2.917 2.064 4.012 . 0 0 "[ . 1 . 2]" 1
929 1 3 HIS HD2 1 18 ILE HB 3.400 . 3.400 2.886 1.997 3.277 . 0 0 "[ . 1 . 2]" 1
930 1 3 HIS HD2 1 18 ILE MD 4.080 . 4.080 3.323 2.600 3.413 . 0 0 "[ . 1 . 2]" 1
931 1 18 ILE MD 1 100 ILE MD 4.032 . 4.032 2.172 1.773 2.798 0.027 19 0 "[ . 1 . 2]" 1
932 1 18 ILE MD 1 103 THR HB 3.360 . 3.360 2.256 1.727 2.816 0.073 13 0 "[ . 1 . 2]" 1
933 1 18 ILE MD 1 104 LEU HA 4.080 . 4.080 3.118 2.608 3.417 . 0 0 "[ . 1 . 2]" 1
934 1 3 HIS HD2 1 18 ILE MG 4.080 . 4.080 2.596 1.926 3.105 . 0 0 "[ . 1 . 2]" 1
935 1 18 ILE HA 1 18 ILE MG 3.360 . 3.360 2.293 2.230 2.374 . 0 0 "[ . 1 . 2]" 1
936 1 18 ILE MG 1 20 GLU QG 4.570 . 4.570 3.367 2.865 3.405 . 0 0 "[ . 1 . 2]" 1
937 1 18 ILE MG 1 27 LEU HA 4.080 . 4.080 3.414 3.279 3.456 . 0 0 "[ . 1 . 2]" 1
938 1 18 ILE MG 1 19 ASN HA 6.000 . 6.000 3.717 3.557 3.848 . 0 0 "[ . 1 . 2]" 1
939 1 19 ASN QB 1 22 VAL MG2 4.570 . 4.570 2.109 2.003 2.560 . 0 0 "[ . 1 . 2]" 1
940 1 20 GLU HA 1 20 GLU QG 3.808 . 3.808 2.268 2.037 3.304 . 0 0 "[ . 1 . 2]" 1
941 1 20 GLU HA 1 25 ALA HA 3.400 . 3.400 3.374 3.073 3.413 0.013 3 0 "[ . 1 . 2]" 1
942 1 3 HIS HD2 1 20 GLU QG 5.600 . 5.600 3.511 2.820 3.975 . 0 0 "[ . 1 . 2]" 1
943 1 20 GLU QG 1 25 ALA MB 6.272 . 6.272 3.033 2.716 4.658 . 0 0 "[ . 1 . 2]" 1
944 1 21 ASP QB 1 22 VAL MG1 6.720 . 6.720 4.232 4.076 4.433 . 0 0 "[ . 1 . 2]" 1
945 1 22 VAL HA 1 22 VAL HB 2.800 . 2.800 2.819 2.802 2.848 0.048 9 0 "[ . 1 . 2]" 1
946 1 22 VAL HA 1 22 VAL MG1 3.360 . 3.360 2.060 1.976 2.141 . 0 0 "[ . 1 . 2]" 1
947 1 22 VAL MG1 1 26 GLU QG 4.570 . 4.570 3.102 2.593 3.401 . 0 0 "[ . 1 . 2]" 1
948 1 21 ASP HA 1 22 VAL MG2 6.000 . 6.000 4.396 4.353 4.438 . 0 0 "[ . 1 . 2]" 1
949 1 22 VAL HA 1 22 VAL MG2 3.360 . 3.360 2.936 2.898 2.959 . 0 0 "[ . 1 . 2]" 1
950 1 22 VAL MG2 1 25 ALA MB 4.570 . 4.570 3.201 3.188 3.211 . 0 0 "[ . 1 . 2]" 1
951 1 22 VAL MG2 1 26 GLU QG 4.570 . 4.570 2.140 1.790 2.903 0.010 20 0 "[ . 1 . 2]" 1
952 1 23 SER HA 1 24 PRO QB 5.600 . 5.600 3.845 3.791 3.887 . 0 0 "[ . 1 . 2]" 1
953 1 23 SER QB 1 24 PRO HA 5.600 . 5.600 3.629 3.468 3.883 . 0 0 "[ . 1 . 2]" 1
954 1 24 PRO QB 1 41 VAL MG1 4.570 . 4.570 2.597 2.416 2.814 . 0 0 "[ . 1 . 2]" 1
955 1 24 PRO QB 1 41 VAL MG2 6.720 . 6.720 4.863 4.701 4.999 . 0 0 "[ . 1 . 2]" 1
956 1 24 PRO QB 1 111 TYR QE 6.272 . 6.272 4.107 3.904 4.245 . 0 0 "[ . 1 . 2]" 1
957 1 24 PRO QD 1 41 VAL MG1 4.570 . 4.570 3.233 2.965 3.416 . 0 0 "[ . 1 . 2]" 1
958 1 24 PRO QG 1 41 VAL MG1 3.763 . 3.763 2.514 1.950 2.814 . 0 0 "[ . 1 . 2]" 1
959 1 24 PRO QG 1 41 VAL MG2 6.720 . 6.720 4.536 3.746 4.988 . 0 0 "[ . 1 . 2]" 1
960 1 22 VAL HB 1 25 ALA HA 5.000 . 5.000 2.981 2.812 3.087 . 0 0 "[ . 1 . 2]" 1
961 1 22 VAL MG1 1 25 ALA HA 6.000 . 6.000 4.354 4.247 4.409 . 0 0 "[ . 1 . 2]" 1
962 1 22 VAL MG2 1 25 ALA HA 3.360 . 3.360 1.942 1.916 2.006 . 0 0 "[ . 1 . 2]" 1
963 1 18 ILE MG 1 25 ALA MB 4.570 . 4.570 3.029 2.880 3.173 . 0 0 "[ . 1 . 2]" 1
964 1 20 GLU HA 1 25 ALA MB 3.136 . 3.136 2.275 2.105 2.393 . 0 0 "[ . 1 . 2]" 1
965 1 20 GLU QB 1 25 ALA MB 6.272 . 6.272 3.936 3.146 4.175 . 0 0 "[ . 1 . 2]" 1
966 1 25 ALA MB 1 42 LEU MD2 4.265 . 4.265 3.025 3.004 3.041 . 0 0 "[ . 1 . 2]" 1
967 1 25 ALA MB 1 111 TYR QD 6.720 . 6.720 4.947 4.892 4.993 . 0 0 "[ . 1 . 2]" 1
968 1 26 GLU HA 1 41 VAL HA 3.400 . 3.400 2.469 2.261 2.708 . 0 0 "[ . 1 . 2]" 1
969 1 26 GLU HA 1 41 VAL MG1 6.000 . 6.000 3.991 3.844 4.196 . 0 0 "[ . 1 . 2]" 1
970 1 26 GLU HA 1 41 VAL MG2 6.000 . 6.000 4.096 3.889 4.327 . 0 0 "[ . 1 . 2]" 1
971 1 26 GLU HA 1 42 LEU MD2 3.808 . 3.808 2.206 2.084 2.265 . 0 0 "[ . 1 . 2]" 1
972 1 26 GLU QG 1 41 VAL HA 5.600 . 5.600 3.925 1.903 4.991 . 0 0 "[ . 1 . 2]" 1
973 1 18 ILE MD 1 27 LEU HA 6.000 . 6.000 4.824 4.483 4.999 . 0 0 "[ . 1 . 2]" 1
974 1 18 ILE QG 1 27 LEU HA 6.000 . 6.000 3.267 2.811 3.420 . 0 0 "[ . 1 . 2]" 1
975 1 16 ILE MD 1 27 LEU MD1 4.032 . 4.032 2.289 1.952 2.572 . 0 0 "[ . 1 . 2]" 1
976 1 16 ILE QG 1 27 LEU MD1 4.896 . 4.896 2.291 1.900 2.743 . 0 0 "[ . 1 . 2]" 1
977 1 18 ILE HA 1 27 LEU MD1 6.000 . 6.000 4.389 4.293 4.603 . 0 0 "[ . 1 . 2]" 1
978 1 27 LEU HA 1 27 LEU MD1 4.080 . 4.080 3.307 3.211 3.482 . 0 0 "[ . 1 . 2]" 1
979 1 16 ILE MD 1 27 LEU MD2 3.763 . 3.763 2.553 2.413 2.612 . 0 0 "[ . 1 . 2]" 1
980 1 27 LEU MD2 1 40 VAL MG1 3.763 . 3.763 2.315 2.198 2.642 . 0 0 "[ . 1 . 2]" 1
981 1 27 LEU MD2 1 62 LEU MD1 3.763 . 3.763 1.935 1.682 2.632 0.118 10 0 "[ . 1 . 2]" 1
982 1 28 THR HA 1 37 VAL MG2 4.080 . 4.080 3.447 3.441 3.457 . 0 0 "[ . 1 . 2]" 1
983 1 28 THR HA 1 39 THR MG 3.360 . 3.360 2.800 2.799 2.802 . 0 0 "[ . 1 . 2]" 1
984 1 28 THR HA 1 28 THR MG 3.360 . 3.360 2.185 2.085 2.405 . 0 0 "[ . 1 . 2]" 1
985 1 28 THR MG 1 37 VAL HB 6.000 . 6.000 3.843 3.638 4.245 . 0 0 "[ . 1 . 2]" 1
986 1 28 THR MG 1 37 VAL QG 3.763 . 3.763 1.755 1.688 2.039 0.112 20 0 "[ . 1 . 2]" 1
987 1 27 LEU MD2 1 29 TRP QB 6.272 . 6.272 4.060 2.714 4.537 . 0 0 "[ . 1 . 2]" 1
988 1 16 ILE HB 1 29 TRP HD1 3.400 . 3.400 3.436 3.407 3.468 0.068 2 0 "[ . 1 . 2]" 1
989 1 16 ILE MD 1 29 TRP HD1 6.000 . 6.000 3.211 2.928 3.362 . 0 0 "[ . 1 . 2]" 1
990 1 16 ILE QG 1 29 TRP HD1 4.080 . 4.080 1.758 1.605 1.830 0.195 2 0 "[ . 1 . 2]" 1
991 1 16 ILE MG 1 29 TRP HD1 6.000 . 6.000 4.479 4.335 4.518 . 0 0 "[ . 1 . 2]" 1
992 1 29 TRP HA 1 29 TRP HD1 5.000 . 5.000 3.160 3.116 3.192 . 0 0 "[ . 1 . 2]" 1
993 1 12 VAL MG1 1 29 TRP HH2 4.080 . 4.080 1.912 1.842 1.956 . 0 0 "[ . 1 . 2]" 1
994 1 12 VAL MG1 1 29 TRP HZ2 4.080 . 4.080 1.943 1.881 1.966 . 0 0 "[ . 1 . 2]" 1
995 1 30 ARG HA 1 37 VAL HA 2.800 . 2.800 2.132 1.964 2.312 . 0 0 "[ . 1 . 2]" 1
996 1 30 ARG HA 1 37 VAL QG 3.808 . 3.808 2.721 2.678 2.829 . 0 0 "[ . 1 . 2]" 1
997 1 30 ARG QB 1 37 VAL HA 5.600 . 5.600 4.003 3.493 4.302 . 0 0 "[ . 1 . 2]" 1
998 1 30 ARG QB 1 37 VAL QG 4.265 . 4.265 2.517 2.119 2.819 . 0 0 "[ . 1 . 2]" 1
999 1 30 ARG QD 1 37 VAL QG 6.272 . 6.272 3.498 2.171 4.082 . 0 0 "[ . 1 . 2]" 1
1000 1 30 ARG QG 1 34 GLY QA 6.272 . 6.272 3.350 2.765 4.981 . 0 0 "[ . 1 . 2]" 1
1001 1 15 ILE MD 1 32 THR MG 4.896 . 4.896 3.407 3.401 3.414 . 0 0 "[ . 1 . 2]" 1
1002 1 32 THR MG 1 33 ASP HA 6.000 . 6.000 3.453 3.421 3.550 . 0 0 "[ . 1 . 2]" 1
1003 1 36 LYS HA 1 37 VAL QG 3.808 . 3.808 2.897 2.892 2.903 . 0 0 "[ . 1 . 2]" 1
1004 1 12 VAL MG2 1 36 LYS QD 3.763 . 3.763 2.797 2.795 2.800 . 0 0 "[ . 1 . 2]" 1
1005 1 9 PHE QD 1 36 LYS QE 6.272 . 6.272 4.960 4.773 4.982 . 0 0 "[ . 1 . 2]" 1
1006 1 36 LYS HA 1 36 LYS QG 3.808 . 3.808 3.358 3.340 3.370 . 0 0 "[ . 1 . 2]" 1
1007 1 30 ARG QG 1 37 VAL HA 5.600 . 5.600 3.995 3.567 5.023 . 0 0 "[ . 1 . 2]" 1
1008 1 30 ARG HA 1 37 VAL HB 5.000 . 5.000 2.027 1.988 2.174 . 0 0 "[ . 1 . 2]" 1
1009 1 28 THR MG 1 39 THR HB 6.000 . 6.000 4.268 4.074 4.587 . 0 0 "[ . 1 . 2]" 1
1010 1 39 THR HA 1 39 THR MG 3.360 . 3.360 2.066 2.045 2.141 . 0 0 "[ . 1 . 2]" 1
1011 1 39 THR MG 1 40 VAL HA 6.000 . 6.000 4.534 4.434 4.633 . 0 0 "[ . 1 . 2]" 1
1012 1 27 LEU MD2 1 40 VAL QG 3.512 . 3.512 2.183 2.171 2.210 . 0 0 "[ . 1 . 2]" 1
1013 1 27 LEU QB 1 40 VAL MG1 4.570 . 4.570 2.537 1.715 2.857 0.085 12 0 "[ . 1 . 2]" 1
1014 1 40 VAL MG1 1 42 LEU MD1 4.896 . 4.896 3.170 3.050 3.236 . 0 0 "[ . 1 . 2]" 1
1015 1 40 VAL MG1 1 42 LEU MD2 3.763 . 3.763 1.810 1.748 1.855 0.052 12 0 "[ . 1 . 2]" 1
1016 1 40 VAL MG1 1 45 ILE MD 4.032 . 4.032 2.257 2.143 2.397 . 0 0 "[ . 1 . 2]" 1
1017 1 27 LEU MD1 1 40 VAL MG2 4.896 . 4.896 3.455 3.446 3.461 . 0 0 "[ . 1 . 2]" 1
1018 1 40 VAL HA 1 40 VAL MG2 3.360 . 3.360 2.040 1.996 2.127 . 0 0 "[ . 1 . 2]" 1
1019 1 40 VAL MG2 1 89 PHE HZ 3.360 . 3.360 2.724 2.312 2.823 . 0 0 "[ . 1 . 2]" 1
1020 1 41 VAL HB 1 44 THR MG 4.080 . 4.080 1.902 1.893 1.959 . 0 0 "[ . 1 . 2]" 1
1021 1 41 VAL HA 1 41 VAL MG1 3.360 . 3.360 2.315 2.199 2.368 . 0 0 "[ . 1 . 2]" 1
1022 1 41 VAL HA 1 41 VAL MG2 3.360 . 3.360 2.457 2.338 2.531 . 0 0 "[ . 1 . 2]" 1
1023 1 40 VAL MG2 1 42 LEU HA 6.000 . 6.000 4.768 4.725 4.817 . 0 0 "[ . 1 . 2]" 1
1024 1 42 LEU HA 1 45 ILE MD 6.000 . 6.000 3.584 3.523 3.649 . 0 0 "[ . 1 . 2]" 1
1025 1 42 LEU QD 1 111 TYR QE 5.000 . 5.000 3.332 3.316 3.342 . 0 0 "[ . 1 . 2]" 1
1026 1 26 GLU HA 1 42 LEU MD1 6.000 . 6.000 4.998 4.898 5.041 . 0 0 "[ . 1 . 2]" 1
1027 1 27 LEU QB 1 42 LEU MD1 4.570 . 4.570 3.479 3.449 3.495 . 0 0 "[ . 1 . 2]" 1
1028 1 40 VAL MG2 1 42 LEU MD1 7.200 . 7.200 4.939 4.813 4.999 . 0 0 "[ . 1 . 2]" 1
1029 1 42 LEU HA 1 42 LEU MD1 4.080 . 4.080 2.436 2.367 2.480 . 0 0 "[ . 1 . 2]" 1
1030 1 42 LEU MD1 1 62 LEU MD1 4.896 . 4.896 3.413 3.403 3.423 . 0 0 "[ . 1 . 2]" 1
1031 1 42 LEU MD1 1 104 LEU MD2 3.763 . 3.763 1.718 1.644 1.807 0.156 4 0 "[ . 1 . 2]" 1
1032 1 27 LEU QB 1 42 LEU MD2 4.265 . 4.265 1.998 1.943 2.081 . 0 0 "[ . 1 . 2]" 1
1033 1 42 LEU HA 1 42 LEU MD2 3.808 . 3.808 2.189 2.122 2.234 . 0 0 "[ . 1 . 2]" 1
1034 1 42 LEU MD2 1 45 ILE QG 4.570 . 4.570 2.686 2.617 2.754 . 0 0 "[ . 1 . 2]" 1
1035 1 42 LEU MD2 1 62 LEU MD2 3.512 . 3.512 2.528 2.513 2.545 . 0 0 "[ . 1 . 2]" 1
1036 1 42 LEU MD2 1 104 LEU HA 5.600 . 5.600 4.341 4.213 4.520 . 0 0 "[ . 1 . 2]" 1
1037 1 26 GLU HA 1 42 LEU HG 5.000 . 5.000 4.336 4.256 4.432 . 0 0 "[ . 1 . 2]" 1
1038 1 43 SER HA 1 111 TYR QB 5.000 . 5.000 3.875 3.689 4.246 . 0 0 "[ . 1 . 2]" 1
1039 1 44 THR HB 1 65 LYS QD 5.600 . 5.600 4.082 3.118 4.989 . 0 0 "[ . 1 . 2]" 1
1040 1 41 VAL MG1 1 44 THR MG 4.032 . 4.032 1.957 1.891 2.120 . 0 0 "[ . 1 . 2]" 1
1041 1 41 VAL MG2 1 44 THR MG 4.896 . 4.896 2.451 2.323 2.599 . 0 0 "[ . 1 . 2]" 1
1042 1 44 THR HA 1 44 THR MG 3.360 . 3.360 2.534 2.498 2.560 . 0 0 "[ . 1 . 2]" 1
1043 1 45 ILE HA 1 45 ILE MD 4.080 . 4.080 2.118 2.039 2.211 . 0 0 "[ . 1 . 2]" 1
1044 1 40 VAL MG2 1 45 ILE MD 4.032 . 4.032 1.822 1.779 1.951 0.021 14 0 "[ . 1 . 2]" 1
1045 1 45 ILE MD 1 62 LEU HG 6.000 . 6.000 3.986 3.914 4.014 . 0 0 "[ . 1 . 2]" 1
1046 1 45 ILE MD 1 87 HIS HD2 6.000 . 6.000 1.930 1.886 2.057 . 0 0 "[ . 1 . 2]" 1
1047 1 42 LEU HA 1 45 ILE MG 6.000 . 6.000 3.533 3.372 3.609 . 0 0 "[ . 1 . 2]" 1
1048 1 45 ILE MG 1 62 LEU HA 6.000 . 6.000 2.608 2.541 2.688 . 0 0 "[ . 1 . 2]" 1
1049 1 45 ILE MG 1 62 LEU HG 4.080 . 4.080 3.416 3.402 3.445 . 0 0 "[ . 1 . 2]" 1
1050 1 46 ASP HA 1 65 LYS QE 3.808 . 3.808 2.885 2.171 3.397 . 0 0 "[ . 1 . 2]" 1
1051 1 46 ASP HA 1 65 LYS QG 5.600 . 5.600 3.103 1.857 4.784 . 0 0 "[ . 1 . 2]" 1
1052 1 46 ASP QB 1 63 ILE MG 6.720 . 6.720 2.343 1.937 2.832 . 0 0 "[ . 1 . 2]" 1
1053 1 46 ASP QB 1 65 LYS QG 6.272 . 6.272 2.944 1.895 4.080 . 0 0 "[ . 1 . 2]" 1
1054 1 45 ILE MG 1 47 LYS HA 4.080 . 4.080 3.135 3.069 3.390 . 0 0 "[ . 1 . 2]" 1
1055 1 47 LYS HA 1 108 ILE MD 6.000 . 6.000 3.844 3.633 4.162 . 0 0 "[ . 1 . 2]" 1
1056 1 47 LYS HA 1 108 ILE MG 6.000 . 6.000 4.106 3.906 4.421 . 0 0 "[ . 1 . 2]" 1
1057 1 47 LYS QB 1 63 ILE HB 5.600 . 5.600 3.656 1.940 3.914 . 0 0 "[ . 1 . 2]" 1
1058 1 47 LYS QB 1 63 ILE MD 6.720 . 6.720 4.923 3.500 5.029 . 0 0 "[ . 1 . 2]" 1
1059 1 47 LYS QB 1 63 ILE MG 6.720 . 6.720 4.463 2.970 4.727 . 0 0 "[ . 1 . 2]" 1
1060 1 47 LYS HA 1 47 LYS QG 3.808 . 3.808 3.287 2.254 3.345 . 0 0 "[ . 1 . 2]" 1
1061 1 47 LYS QG 1 63 ILE HB 3.808 . 3.808 1.995 1.880 3.356 . 0 0 "[ . 1 . 2]" 1
1062 1 47 LYS QG 1 63 ILE MD 6.720 . 6.720 3.320 3.214 4.997 . 0 0 "[ . 1 . 2]" 1
1063 1 48 LEU HA 1 48 LEU MD1 4.080 . 4.080 2.219 1.890 2.556 . 0 0 "[ . 1 . 2]" 1
1064 1 48 LEU HA 1 62 LEU HA 3.400 . 3.400 2.436 2.279 2.642 . 0 0 "[ . 1 . 2]" 1
1065 1 48 LEU QB 1 108 ILE MD 4.570 . 4.570 2.000 1.832 2.457 . 0 0 "[ . 1 . 2]" 1
1066 1 48 LEU MD1 1 62 LEU HA 4.080 . 4.080 3.107 2.916 3.436 . 0 0 "[ . 1 . 2]" 1
1067 1 48 LEU MD2 1 101 LYS HA 5.600 . 5.600 3.030 2.533 3.878 . 0 0 "[ . 1 . 2]" 1
1068 1 48 LEU MD2 1 105 GLN HA 3.808 . 3.808 2.915 2.182 3.202 . 0 0 "[ . 1 . 2]" 1
1069 1 48 LEU MD2 1 105 GLN QG 6.272 . 6.272 2.378 1.783 3.359 0.017 13 0 "[ . 1 . 2]" 1
1070 1 50 ALA HA 1 60 LEU HA 3.400 . 3.400 2.037 1.952 2.162 . 0 0 "[ . 1 . 2]" 1
1071 1 50 ALA HA 1 60 LEU MD1 6.000 . 6.000 4.908 4.802 4.963 . 0 0 "[ . 1 . 2]" 1
1072 1 50 ALA HA 1 60 LEU MD2 3.808 . 3.808 2.507 2.297 2.605 . 0 0 "[ . 1 . 2]" 1
1073 1 50 ALA HA 1 60 LEU HG 5.000 . 5.000 4.957 4.774 5.022 0.022 5 0 "[ . 1 . 2]" 1
1074 1 50 ALA MB 1 101 LYS QD 4.265 . 4.265 2.836 1.658 3.167 0.142 14 0 "[ . 1 . 2]" 1
1075 1 50 ALA MB 1 101 LYS QE 4.265 . 4.265 2.509 1.911 3.186 . 0 0 "[ . 1 . 2]" 1
1076 1 51 THR HB 1 55 SER QB 3.808 . 3.808 2.594 1.941 3.397 . 0 0 "[ . 1 . 2]" 1
1077 1 51 THR MG 1 59 MET QB 6.720 . 6.720 1.819 1.720 2.022 0.080 4 0 "[ . 1 . 2]" 1
1078 1 51 THR MG 1 59 MET ME 3.763 . 3.763 2.387 1.894 2.616 . 0 0 "[ . 1 . 2]" 1
1079 1 52 PRO HA 1 53 ALA MB 5.600 . 5.600 4.083 4.002 4.148 . 0 0 "[ . 1 . 2]" 1
1080 1 51 THR HA 1 52 PRO QG 5.600 . 5.600 3.952 3.847 4.050 . 0 0 "[ . 1 . 2]" 1
1081 1 51 THR HB 1 52 PRO QG 5.600 . 5.600 4.089 3.761 4.495 . 0 0 "[ . 1 . 2]" 1
1082 1 53 ALA MB 1 94 ARG QD 6.272 . 6.272 3.910 2.069 4.654 . 0 0 "[ . 1 . 2]" 1
1083 1 53 ALA MB 1 54 SER HA 5.600 . 5.600 3.850 3.779 3.954 . 0 0 "[ . 1 . 2]" 1
1084 1 55 SER HA 1 56 GLU HA 5.000 . 5.000 4.376 4.353 4.399 . 0 0 "[ . 1 . 2]" 1
1085 1 51 THR MG 1 55 SER QB 6.720 . 6.720 3.477 2.638 3.990 . 0 0 "[ . 1 . 2]" 1
1086 1 52 PRO QG 1 55 SER QB 6.272 . 6.272 2.304 1.840 3.643 . 0 0 "[ . 1 . 2]" 1
1087 1 56 GLU HA 1 56 GLU QG 3.808 . 3.808 2.310 2.131 2.526 . 0 0 "[ . 1 . 2]" 1
1088 1 57 LYS HA 1 57 LYS QG 3.808 . 3.808 3.120 2.149 3.444 . 0 0 "[ . 1 . 2]" 1
1089 1 57 LYS HA 1 57 LYS QD 3.808 . 3.808 2.830 1.940 3.489 . 0 0 "[ . 1 . 2]" 1
1090 1 51 THR MG 1 59 MET HA 6.000 . 6.000 3.775 3.576 4.079 . 0 0 "[ . 1 . 2]" 1
1091 1 59 MET HA 1 91 PHE QD 5.600 . 5.600 2.577 2.106 3.009 . 0 0 "[ . 1 . 2]" 1
1092 1 59 MET HA 1 91 PHE QE 5.600 . 5.600 4.521 3.993 4.865 . 0 0 "[ . 1 . 2]" 1
1093 1 57 LYS QE 1 59 MET ME 4.265 . 4.265 2.762 1.817 3.165 . 0 0 "[ . 1 . 2]" 1
1094 1 59 MET HA 1 59 MET ME 5.600 . 5.600 4.619 4.206 4.701 . 0 0 "[ . 1 . 2]" 1
1095 1 59 MET QB 1 59 MET ME 4.265 . 4.265 2.491 1.889 3.081 . 0 0 "[ . 1 . 2]" 1
1096 1 59 MET ME 1 90 SER HA 5.600 . 5.600 4.573 4.354 4.692 . 0 0 "[ . 1 . 2]" 1
1097 1 51 THR MG 1 59 MET QG 6.720 . 6.720 2.684 2.121 3.557 . 0 0 "[ . 1 . 2]" 1
1098 1 50 ALA MB 1 60 LEU HA 3.808 . 3.808 2.497 2.414 2.638 . 0 0 "[ . 1 . 2]" 1
1099 1 60 LEU HA 1 60 LEU MD2 3.808 . 3.808 1.854 1.775 1.910 0.025 19 0 "[ . 1 . 2]" 1
1100 1 50 ALA MB 1 60 LEU MD1 4.570 . 4.570 3.222 3.209 3.239 . 0 0 "[ . 1 . 2]" 1
1101 1 60 LEU MD1 1 91 PHE HZ 3.360 . 3.360 2.702 2.275 2.825 . 0 0 "[ . 1 . 2]" 1
1102 1 60 LEU MD1 1 101 LYS HA 4.080 . 4.080 2.223 1.969 2.689 . 0 0 "[ . 1 . 2]" 1
1103 1 50 ALA MB 1 60 LEU MD2 3.512 . 3.512 1.622 1.610 1.636 0.190 13 0 "[ . 1 . 2]" 1
1104 1 60 LEU MD2 1 97 MET ME 4.265 . 4.265 2.673 2.229 2.850 . 0 0 "[ . 1 . 2]" 1
1105 1 60 LEU MD2 1 101 LYS HA 3.808 . 3.808 3.210 3.195 3.230 . 0 0 "[ . 1 . 2]" 1
1106 1 45 ILE MD 1 62 LEU HA 6.000 . 6.000 3.721 3.669 3.767 . 0 0 "[ . 1 . 2]" 1
1107 1 62 LEU HA 1 62 LEU MD2 3.808 . 3.808 3.133 3.049 3.176 . 0 0 "[ . 1 . 2]" 1
1108 1 45 ILE MD 1 62 LEU QB 6.720 . 6.720 1.733 1.689 1.751 0.111 1 0 "[ . 1 . 2]" 1
1109 1 40 VAL MG1 1 62 LEU MD1 4.032 . 4.032 2.082 1.878 2.292 . 0 0 "[ . 1 . 2]" 1
1110 1 45 ILE MD 1 62 LEU MD1 4.032 . 4.032 2.816 2.808 2.824 . 0 0 "[ . 1 . 2]" 1
1111 1 61 ARG HA 1 62 LEU MD1 6.000 . 6.000 3.368 3.231 3.657 . 0 0 "[ . 1 . 2]" 1
1112 1 62 LEU MD1 1 104 LEU MD1 4.032 . 4.032 2.799 2.716 2.812 . 0 0 "[ . 1 . 2]" 1
1113 1 62 LEU MD1 1 104 LEU MD2 3.763 . 3.763 2.598 2.473 2.626 . 0 0 "[ . 1 . 2]" 1
1114 1 45 ILE MD 1 62 LEU MD2 3.763 . 3.763 2.600 2.548 2.622 . 0 0 "[ . 1 . 2]" 1
1115 1 48 LEU HA 1 62 LEU MD2 3.808 . 3.808 3.234 3.215 3.272 . 0 0 "[ . 1 . 2]" 1
1116 1 62 LEU MD2 1 104 LEU MD1 3.763 . 3.763 2.611 2.553 2.632 . 0 0 "[ . 1 . 2]" 1
1117 1 48 LEU HA 1 62 LEU HG 5.000 . 5.000 3.387 3.256 3.595 . 0 0 "[ . 1 . 2]" 1
1118 1 62 LEU HA 1 62 LEU HG 3.400 . 3.400 2.526 2.499 2.560 . 0 0 "[ . 1 . 2]" 1
1119 1 63 ILE HA 1 86 ARG HA 3.400 . 3.400 2.180 1.986 2.313 . 0 0 "[ . 1 . 2]" 1
1120 1 63 ILE HA 1 86 ARG QG 5.600 . 5.600 2.915 1.915 4.097 . 0 0 "[ . 1 . 2]" 1
1121 1 47 LYS QE 1 63 ILE MD 4.570 . 4.570 3.123 2.753 3.392 . 0 0 "[ . 1 . 2]" 1
1122 1 63 ILE HA 1 63 ILE MD 4.080 . 4.080 2.035 1.959 2.180 . 0 0 "[ . 1 . 2]" 1
1123 1 63 ILE MD 1 86 ARG HA 4.080 . 4.080 3.350 3.029 3.412 . 0 0 "[ . 1 . 2]" 1
1124 1 63 ILE MD 1 86 ARG QB 6.720 . 6.720 2.020 1.708 3.340 0.092 8 0 "[ . 1 . 2]" 1
1125 1 63 ILE MD 1 86 ARG QD 4.570 . 4.570 2.724 1.780 3.401 0.020 10 0 "[ . 1 . 2]" 1
1126 1 63 ILE MD 1 86 ARG QG 4.570 . 4.570 2.394 1.702 3.391 0.098 19 0 "[ . 1 . 2]" 1
1127 1 47 LYS QE 1 63 ILE MG 4.570 . 4.570 2.794 2.260 3.391 . 0 0 "[ . 1 . 2]" 1
1128 1 46 ASP HA 1 65 LYS HA 5.000 . 5.000 4.296 3.703 4.993 . 0 0 "[ . 1 . 2]" 1
1129 1 46 ASP QB 1 65 LYS HA 3.808 . 3.808 2.490 1.984 2.947 . 0 0 "[ . 1 . 2]" 1
1130 1 44 THR HA 1 65 LYS QD 5.600 . 5.600 2.953 2.167 4.300 . 0 0 "[ . 1 . 2]" 1
1131 1 44 THR HA 1 65 LYS QE 5.600 . 5.600 3.522 1.957 4.585 . 0 0 "[ . 1 . 2]" 1
1132 1 65 LYS HA 1 65 LYS QE 5.600 . 5.600 4.365 3.196 4.968 . 0 0 "[ . 1 . 2]" 1
1133 1 65 LYS HA 1 65 LYS QG 3.808 . 3.808 2.657 2.166 3.350 . 0 0 "[ . 1 . 2]" 1
1134 1 66 VAL HA 1 66 VAL HB 2.800 . 2.800 2.476 2.455 2.502 . 0 0 "[ . 1 . 2]" 1
1135 1 66 VAL HA 1 84 PRO HA 3.400 . 3.400 3.410 3.392 3.434 0.034 10 0 "[ . 1 . 2]" 1
1136 1 66 VAL HA 1 84 PRO QB 5.600 . 5.600 4.182 3.267 4.647 . 0 0 "[ . 1 . 2]" 1
1137 1 66 VAL MG1 1 84 PRO HA 4.080 . 4.080 3.416 3.401 3.430 . 0 0 "[ . 1 . 2]" 1
1138 1 66 VAL MG1 1 84 PRO QD 6.720 . 6.720 3.859 3.124 4.371 . 0 0 "[ . 1 . 2]" 1
1139 1 66 VAL HA 1 66 VAL MG2 3.360 . 3.360 2.241 2.180 2.298 . 0 0 "[ . 1 . 2]" 1
1140 1 66 VAL MG2 1 84 PRO QB 6.720 . 6.720 3.343 2.691 4.073 . 0 0 "[ . 1 . 2]" 1
1141 1 66 VAL HA 1 67 ASP HA 5.000 . 5.000 4.404 4.354 4.466 . 0 0 "[ . 1 . 2]" 1
1142 1 66 VAL MG2 1 68 GLU HA 4.080 . 4.080 3.334 2.932 3.433 . 0 0 "[ . 1 . 2]" 1
1143 1 68 GLU HA 1 81 VAL MG2 4.080 . 4.080 2.902 1.855 3.406 . 0 0 "[ . 1 . 2]" 1
1144 1 70 LYS HA 1 70 LYS QG 3.808 . 3.808 2.700 2.292 3.412 . 0 0 "[ . 1 . 2]" 1
1145 1 70 LYS HA 1 70 LYS QD 3.136 . 3.136 2.309 1.987 2.806 . 0 0 "[ . 1 . 2]" 1
1146 1 71 LYS HA 1 71 LYS QG 3.808 . 3.808 2.564 2.262 3.336 . 0 0 "[ . 1 . 2]" 1
1147 1 71 LYS HA 1 81 VAL QG 3.808 . 3.808 2.686 1.883 2.836 . 0 0 "[ . 1 . 2]" 1
1148 1 71 LYS HA 1 82 PRO QD 3.808 . 3.808 3.333 2.752 3.404 . 0 0 "[ . 1 . 2]" 1
1149 1 72 ARG HA 1 73 LYS HA 5.000 . 5.000 4.403 4.310 4.531 . 0 0 "[ . 1 . 2]" 1
1150 1 72 ARG HA 1 72 ARG QD 3.808 . 3.808 3.390 2.830 3.468 . 0 0 "[ . 1 . 2]" 1
1151 1 72 ARG QD 1 80 VAL MG2 4.570 . 4.570 3.030 1.843 3.396 . 0 0 "[ . 1 . 2]" 1
1152 1 73 LYS HA 1 73 LYS QD 3.808 . 3.808 3.089 1.981 3.421 . 0 0 "[ . 1 . 2]" 1
1153 1 73 LYS HA 1 79 GLU QB 5.600 . 5.600 4.430 3.729 4.874 . 0 0 "[ . 1 . 2]" 1
1154 1 73 LYS HA 1 80 VAL MG2 4.080 . 4.080 2.999 2.297 3.405 . 0 0 "[ . 1 . 2]" 1
1155 1 73 LYS HA 1 73 LYS QG 3.808 . 3.808 2.586 2.146 3.268 . 0 0 "[ . 1 . 2]" 1
1156 1 73 LYS HA 1 74 ASP HA 5.000 . 5.000 4.421 4.338 4.533 . 0 0 "[ . 1 . 2]" 1
1157 1 74 ASP HA 1 80 VAL MG2 6.000 . 6.000 3.886 2.740 4.672 . 0 0 "[ . 1 . 2]" 1
1158 1 74 ASP QB 1 80 VAL MG2 4.570 . 4.570 2.961 1.915 3.400 . 0 0 "[ . 1 . 2]" 1
1159 1 75 ASN QB 1 76 GLU QG 6.272 . 6.272 4.145 2.797 4.979 . 0 0 "[ . 1 . 2]" 1
1160 1 76 GLU HA 1 76 GLU QG 3.136 . 3.136 2.364 2.102 2.793 . 0 0 "[ . 1 . 2]" 1
1161 1 73 LYS QB 1 77 GLY QA 6.272 . 6.272 2.888 1.934 3.991 . 0 0 "[ . 1 . 2]" 1
1162 1 73 LYS QD 1 77 GLY QA 6.272 . 6.272 2.959 2.163 3.796 . 0 0 "[ . 1 . 2]" 1
1163 1 78 ASN QB 1 80 VAL QG 6.272 . 6.272 3.415 2.710 3.935 . 0 0 "[ . 1 . 2]" 1
1164 1 73 LYS HA 1 79 GLU HA 2.800 . 2.800 2.453 1.986 2.811 0.011 9 0 "[ . 1 . 2]" 1
1165 1 73 LYS QG 1 79 GLU HA 5.600 . 5.600 3.174 2.401 4.803 . 0 0 "[ . 1 . 2]" 1
1166 1 78 ASN HA 1 79 GLU HA 5.000 . 5.000 4.641 4.390 5.110 0.110 19 0 "[ . 1 . 2]" 1
1167 1 79 GLU HA 1 79 GLU QG 3.808 . 3.808 2.498 2.094 3.341 . 0 0 "[ . 1 . 2]" 1
1168 1 79 GLU HA 1 80 VAL QG 5.600 . 5.600 3.536 3.129 3.934 . 0 0 "[ . 1 . 2]" 1
1169 1 73 LYS QE 1 79 GLU QB 6.272 . 6.272 4.299 2.333 4.984 . 0 0 "[ . 1 . 2]" 1
1170 1 80 VAL HA 1 80 VAL HB 2.800 . 2.800 2.980 2.960 2.984 0.184 12 0 "[ . 1 . 2]" 1
1171 1 80 VAL HA 1 80 VAL QG 3.136 . 3.136 2.108 2.021 2.153 . 0 0 "[ . 1 . 2]" 1
1172 1 71 LYS QG 1 81 VAL HA 5.600 . 5.600 3.761 3.103 4.632 . 0 0 "[ . 1 . 2]" 1
1173 1 81 VAL HA 1 82 PRO QD 3.136 . 3.136 2.019 1.817 2.199 . 0 0 "[ . 1 . 2]" 1
1174 1 80 VAL MG1 1 82 PRO HA 4.080 . 4.080 3.402 3.242 3.443 . 0 0 "[ . 1 . 2]" 1
1175 1 82 PRO HA 1 82 PRO QG 3.808 . 3.808 2.983 2.808 3.461 . 0 0 "[ . 1 . 2]" 1
1176 1 66 VAL MG1 1 83 LYS HA 6.000 . 6.000 4.472 3.550 5.001 . 0 0 "[ . 1 . 2]" 1
1177 1 66 VAL MG2 1 83 LYS HA 6.000 . 6.000 3.205 1.876 4.934 . 0 0 "[ . 1 . 2]" 1
1178 1 83 LYS HA 1 83 LYS QG 3.808 . 3.808 2.696 2.102 3.344 . 0 0 "[ . 1 . 2]" 1
1179 1 63 ILE MG 1 84 PRO HA 6.000 . 6.000 4.833 4.373 5.013 . 0 0 "[ . 1 . 2]" 1
1180 1 66 VAL MG2 1 84 PRO HA 4.080 . 4.080 2.637 1.955 3.316 . 0 0 "[ . 1 . 2]" 1
1181 1 63 ILE MG 1 84 PRO QB 4.570 . 4.570 3.054 2.410 3.394 . 0 0 "[ . 1 . 2]" 1
1182 1 66 VAL MG1 1 84 PRO QB 4.570 . 4.570 2.596 2.277 2.913 . 0 0 "[ . 1 . 2]" 1
1183 1 83 LYS HA 1 84 PRO QD 3.136 . 3.136 1.877 1.797 1.947 0.003 16 0 "[ . 1 . 2]" 1
1184 1 66 VAL MG1 1 84 PRO QG 4.570 . 4.570 2.341 1.892 2.904 . 0 0 "[ . 1 . 2]" 1
1185 1 83 LYS HA 1 84 PRO QG 3.808 . 3.808 3.481 3.463 3.507 . 0 0 "[ . 1 . 2]" 1
1186 1 84 PRO HA 1 84 PRO QG 3.808 . 3.808 3.183 3.080 3.254 . 0 0 "[ . 1 . 2]" 1
1187 1 85 GLN HA 1 85 GLN QG 3.808 . 3.808 2.688 2.035 3.395 . 0 0 "[ . 1 . 2]" 1
1188 1 63 ILE MG 1 86 ARG HA 6.000 . 6.000 3.483 3.356 3.674 . 0 0 "[ . 1 . 2]" 1
1189 1 86 ARG HA 1 87 HIS HD2 5.000 . 5.000 3.693 3.556 3.924 . 0 0 "[ . 1 . 2]" 1
1190 1 63 ILE MG 1 86 ARG QD 6.720 . 6.720 3.317 2.217 4.651 . 0 0 "[ . 1 . 2]" 1
1191 1 63 ILE MG 1 86 ARG QG 4.570 . 4.570 2.410 1.799 3.415 0.001 17 0 "[ . 1 . 2]" 1
1192 1 9 PHE QE 1 87 HIS HA 3.808 . 3.808 3.372 2.895 3.405 . 0 0 "[ . 1 . 2]" 1
1193 1 62 LEU QB 1 87 HIS QB 6.272 . 6.272 2.515 2.308 2.869 . 0 0 "[ . 1 . 2]" 1
1194 1 62 LEU MD1 1 87 HIS QB 6.720 . 6.720 2.531 2.250 2.843 . 0 0 "[ . 1 . 2]" 1
1195 1 40 VAL MG2 1 87 HIS HD2 6.000 . 6.000 2.539 2.411 2.611 . 0 0 "[ . 1 . 2]" 1
1196 1 62 LEU HG 1 87 HIS HD2 5.000 . 5.000 5.015 5.007 5.023 0.023 9 0 "[ . 1 . 2]" 1
1197 1 61 ARG HA 1 88 MET HA 3.400 . 3.400 2.588 2.168 2.892 . 0 0 "[ . 1 . 2]" 1
1198 1 88 MET HA 1 88 MET ME 5.600 . 5.600 4.349 3.725 4.664 . 0 0 "[ . 1 . 2]" 1
1199 1 61 ARG HA 1 88 MET QB 5.600 . 5.600 4.666 4.038 4.997 . 0 0 "[ . 1 . 2]" 1
1200 1 59 MET QG 1 88 MET ME 6.272 . 6.272 3.814 1.935 4.504 . 0 0 "[ . 1 . 2]" 1
1201 1 61 ARG HA 1 88 MET QG 5.600 . 5.600 4.027 3.561 4.405 . 0 0 "[ . 1 . 2]" 1
1202 1 9 PHE HA 1 89 PHE HA 5.000 . 5.000 3.459 3.256 3.667 . 0 0 "[ . 1 . 2]" 1
1203 1 9 PHE QD 1 89 PHE HA 5.600 . 5.600 4.409 4.113 4.806 . 0 0 "[ . 1 . 2]" 1
1204 1 89 PHE HA 1 89 PHE QD 3.808 . 3.808 2.981 2.688 3.320 . 0 0 "[ . 1 . 2]" 1
1205 1 89 PHE HA 1 89 PHE QE 5.600 . 5.600 4.752 4.574 5.002 . 0 0 "[ . 1 . 2]" 1
1206 1 27 LEU MD1 1 89 PHE QD 6.720 . 6.720 4.023 3.556 4.182 . 0 0 "[ . 1 . 2]" 1
1207 1 62 LEU MD1 1 89 PHE QD 4.570 . 4.570 2.736 2.189 3.396 . 0 0 "[ . 1 . 2]" 1
1208 1 27 LEU MD1 1 89 PHE QE 4.570 . 4.570 3.049 2.843 3.391 . 0 0 "[ . 1 . 2]" 1
1209 1 40 VAL MG2 1 89 PHE QE 4.570 . 4.570 3.138 2.750 3.402 . 0 0 "[ . 1 . 2]" 1
1210 1 59 MET HA 1 90 SER HA 3.400 . 3.400 2.407 2.261 2.606 . 0 0 "[ . 1 . 2]" 1
1211 1 59 MET QG 1 90 SER HA 5.600 . 5.600 2.003 1.725 2.266 0.075 4 0 "[ . 1 . 2]" 1
1212 1 90 SER HA 1 91 PHE QD 5.600 . 5.600 3.285 3.020 3.484 . 0 0 "[ . 1 . 2]" 1
1213 1 59 MET HA 1 90 SER QB 5.600 . 5.600 4.239 3.920 4.636 . 0 0 "[ . 1 . 2]" 1
1214 1 59 MET ME 1 90 SER QB 6.272 . 6.272 4.283 3.820 4.663 . 0 0 "[ . 1 . 2]" 1
1215 1 59 MET QG 1 90 SER QB 6.272 . 6.272 2.653 2.046 3.519 . 0 0 "[ . 1 . 2]" 1
1216 1 8 ILE MD 1 91 PHE HA 6.000 . 6.000 3.633 3.288 4.614 . 0 0 "[ . 1 . 2]" 1
1217 1 91 PHE QE 1 100 ILE HB 5.600 . 5.600 3.193 2.029 3.796 . 0 0 "[ . 1 . 2]" 1
1218 1 16 ILE MD 1 91 PHE HZ 4.080 . 4.080 2.263 1.918 2.893 . 0 0 "[ . 1 . 2]" 1
1219 1 6 ALA MB 1 92 ASN QB 6.272 . 6.272 4.657 4.617 4.664 . 0 0 "[ . 1 . 2]" 1
1220 1 8 ILE MD 1 92 ASN QB 6.720 . 6.720 3.791 3.278 4.186 . 0 0 "[ . 1 . 2]" 1
1221 1 93 ASN HA 1 96 VAL MG2 6.000 . 6.000 3.869 3.712 4.662 . 0 0 "[ . 1 . 2]" 1
1222 1 58 MET ME 1 94 ARG HA 3.808 . 3.808 2.996 2.554 3.194 . 0 0 "[ . 1 . 2]" 1
1223 1 94 ARG HA 1 94 ARG QD 3.808 . 3.808 3.165 2.128 3.401 . 0 0 "[ . 1 . 2]" 1
1224 1 94 ARG HA 1 97 MET QB 3.808 . 3.808 3.186 3.011 3.376 . 0 0 "[ . 1 . 2]" 1
1225 1 95 THR HA 1 98 ASP QB 5.600 . 5.600 2.415 2.239 2.708 . 0 0 "[ . 1 . 2]" 1
1226 1 95 THR HA 1 95 THR HB 2.800 . 2.800 2.909 2.904 2.916 0.116 11 0 "[ . 1 . 2]" 1
1227 1 95 THR HA 1 95 THR MG 3.360 . 3.360 2.607 2.217 2.822 . 0 0 "[ . 1 . 2]" 1
1228 1 96 VAL HA 1 96 VAL MG1 3.360 . 3.360 2.108 2.011 2.521 . 0 0 "[ . 1 . 2]" 1
1229 1 96 VAL HA 1 96 VAL MG2 3.360 . 3.360 2.758 2.334 2.824 . 0 0 "[ . 1 . 2]" 1
1230 1 96 VAL HA 1 99 ASN QB 5.600 . 5.600 2.732 2.394 3.075 . 0 0 "[ . 1 . 2]" 1
1231 1 93 ASN QB 1 96 VAL HB 5.600 . 5.600 3.730 2.069 4.022 . 0 0 "[ . 1 . 2]" 1
1232 1 91 PHE QD 1 96 VAL MG1 6.720 . 6.720 2.920 1.855 3.568 . 0 0 "[ . 1 . 2]" 1
1233 1 91 PHE QE 1 96 VAL MG1 3.763 . 3.763 2.740 2.074 2.805 . 0 0 "[ . 1 . 2]" 1
1234 1 96 VAL MG1 1 99 ASN QB 6.720 . 6.720 3.615 3.327 3.813 . 0 0 "[ . 1 . 2]" 1
1235 1 96 VAL MG1 1 100 ILE MD 4.896 . 4.896 3.410 3.397 3.423 . 0 0 "[ . 1 . 2]" 1
1236 1 93 ASN QB 1 96 VAL MG2 4.570 . 4.570 1.762 1.707 2.139 0.093 12 0 "[ . 1 . 2]" 1
1237 1 95 THR HB 1 96 VAL MG2 4.080 . 4.080 3.299 3.012 3.439 . 0 0 "[ . 1 . 2]" 1
1238 1 94 ARG HA 1 97 MET ME 3.808 . 3.808 3.198 3.178 3.215 . 0 0 "[ . 1 . 2]" 1
1239 1 98 ASP HA 1 101 LYS QB 3.808 . 3.808 3.094 2.881 3.421 . 0 0 "[ . 1 . 2]" 1
1240 1 99 ASN HA 1 102 MET ME 3.808 . 3.808 2.740 2.158 3.197 . 0 0 "[ . 1 . 2]" 1
1241 1 18 ILE MD 1 100 ILE HA 4.080 . 4.080 2.687 2.288 3.333 . 0 0 "[ . 1 . 2]" 1
1242 1 100 ILE HA 1 100 ILE MD 3.360 . 3.360 2.339 2.196 2.550 . 0 0 "[ . 1 . 2]" 1
1243 1 100 ILE HA 1 103 THR HB 3.400 . 3.400 2.853 2.266 3.428 0.028 1 0 "[ . 1 . 2]" 1
1244 1 5 GLY QA 1 100 ILE MD 6.720 . 6.720 2.045 1.947 2.172 . 0 0 "[ . 1 . 2]" 1
1245 1 17 ALA HA 1 100 ILE MD 6.000 . 6.000 3.584 3.338 3.843 . 0 0 "[ . 1 . 2]" 1
1246 1 18 ILE QG 1 100 ILE MD 4.032 . 4.032 2.875 2.566 3.011 . 0 0 "[ . 1 . 2]" 1
1247 1 91 PHE QE 1 100 ILE MD 6.720 . 6.720 3.092 2.501 3.567 . 0 0 "[ . 1 . 2]" 1
1248 1 16 ILE MD 1 100 ILE MG 4.896 . 4.896 2.808 2.466 3.134 . 0 0 "[ . 1 . 2]" 1
1249 1 48 LEU MD1 1 101 LYS HA 6.000 . 6.000 3.706 3.406 4.608 . 0 0 "[ . 1 . 2]" 1
1250 1 98 ASP HA 1 101 LYS QE 3.808 . 3.808 3.142 2.585 3.394 . 0 0 "[ . 1 . 2]" 1
1251 1 102 MET HA 1 105 GLN QB 5.600 . 5.600 3.270 2.510 4.553 . 0 0 "[ . 1 . 2]" 1
1252 1 99 ASN HA 1 102 MET QB 5.600 . 5.600 3.330 2.592 4.102 . 0 0 "[ . 1 . 2]" 1
1253 1 102 MET HA 1 102 MET ME 5.600 . 5.600 4.287 3.915 4.705 . 0 0 "[ . 1 . 2]" 1
1254 1 99 ASN HA 1 102 MET QG 5.600 . 5.600 3.273 1.908 4.464 . 0 0 "[ . 1 . 2]" 1
1255 1 102 MET HA 1 102 MET QG 3.808 . 3.808 2.765 2.098 3.377 . 0 0 "[ . 1 . 2]" 1
1256 1 3 HIS HA 1 103 THR MG 6.000 . 6.000 1.982 1.898 2.099 . 0 0 "[ . 1 . 2]" 1
1257 1 3 HIS HD2 1 103 THR MG 4.080 . 4.080 1.974 1.811 2.326 . 0 0 "[ . 1 . 2]" 1
1258 1 18 ILE HB 1 103 THR MG 4.080 . 4.080 2.763 2.323 3.202 . 0 0 "[ . 1 . 2]" 1
1259 1 18 ILE QG 1 103 THR MG 4.896 . 4.896 3.375 2.977 3.685 . 0 0 "[ . 1 . 2]" 1
1260 1 100 ILE HA 1 103 THR MG 6.000 . 6.000 3.642 3.283 3.969 . 0 0 "[ . 1 . 2]" 1
1261 1 103 THR HA 1 103 THR MG 3.360 . 3.360 2.484 2.091 2.805 . 0 0 "[ . 1 . 2]" 1
1262 1 103 THR MG 1 107 ILE MD 4.032 . 4.032 2.547 1.903 2.803 . 0 0 "[ . 1 . 2]" 1
1263 1 104 LEU HA 1 107 ILE HB 5.000 . 5.000 3.554 3.348 3.880 . 0 0 "[ . 1 . 2]" 1
1264 1 18 ILE QG 1 104 LEU MD2 4.570 . 4.570 2.286 1.885 2.764 . 0 0 "[ . 1 . 2]" 1
1265 1 42 LEU MD2 1 104 LEU MD2 3.512 . 3.512 2.471 2.461 2.485 . 0 0 "[ . 1 . 2]" 1
1266 1 62 LEU MD2 1 104 LEU MD2 3.512 . 3.512 1.974 1.748 2.234 0.052 4 0 "[ . 1 . 2]" 1
1267 1 101 LYS HA 1 104 LEU MD2 5.600 . 5.600 4.720 4.688 4.739 . 0 0 "[ . 1 . 2]" 1
1268 1 104 LEU HA 1 104 LEU MD2 3.136 . 3.136 2.351 2.149 2.507 . 0 0 "[ . 1 . 2]" 1
1269 1 105 GLN HA 1 108 ILE HB 5.000 . 5.000 2.272 1.997 2.556 . 0 0 "[ . 1 . 2]" 1
1270 1 48 LEU MD2 1 105 GLN QB 6.272 . 6.272 2.860 1.973 3.502 . 0 0 "[ . 1 . 2]" 1
1271 1 102 MET HA 1 105 GLN QG 5.600 . 5.600 3.636 2.053 4.992 . 0 0 "[ . 1 . 2]" 1
1272 1 103 THR HA 1 106 GLN QB 5.600 . 5.600 2.488 1.994 3.815 . 0 0 "[ . 1 . 2]" 1
1273 1 103 THR HA 1 106 GLN QG 3.808 . 3.808 2.997 1.781 3.397 0.019 12 0 "[ . 1 . 2]" 1
1274 1 106 GLN HA 1 106 GLN QG 3.808 . 3.808 2.436 2.041 3.428 . 0 0 "[ . 1 . 2]" 1
1275 1 107 ILE HA 1 110 ARG QB 5.600 . 5.600 2.987 2.603 3.313 . 0 0 "[ . 1 . 2]" 1
1276 1 107 ILE HA 1 110 ARG QG 5.600 . 5.600 2.924 2.032 4.247 . 0 0 "[ . 1 . 2]" 1
1277 1 107 ILE HA 1 111 TYR QE 3.808 . 3.808 3.471 3.458 3.487 . 0 0 "[ . 1 . 2]" 1
1278 1 20 GLU QG 1 107 ILE MD 6.720 . 6.720 2.313 1.768 3.947 0.032 11 0 "[ . 1 . 2]" 1
1279 1 25 ALA MB 1 107 ILE MD 3.763 . 3.763 2.350 2.036 2.611 . 0 0 "[ . 1 . 2]" 1
1280 1 104 LEU HA 1 107 ILE MD 4.080 . 4.080 2.399 1.946 2.684 . 0 0 "[ . 1 . 2]" 1
1281 1 25 ALA MB 1 107 ILE MG 3.763 . 3.763 1.805 1.740 1.870 0.060 14 0 "[ . 1 . 2]" 1
1282 1 42 LEU QB 1 107 ILE MG 4.570 . 4.570 3.325 3.210 3.399 . 0 0 "[ . 1 . 2]" 1
1283 1 104 LEU HA 1 107 ILE MG 6.000 . 6.000 4.796 4.592 5.031 . 0 0 "[ . 1 . 2]" 1
1284 1 107 ILE HA 1 107 ILE MG 3.360 . 3.360 2.168 2.141 2.215 . 0 0 "[ . 1 . 2]" 1
1285 1 107 ILE MG 1 108 ILE HA 6.000 . 6.000 3.906 3.823 3.941 . 0 0 "[ . 1 . 2]" 1
1286 1 107 ILE MG 1 111 TYR QD 4.570 . 4.570 3.450 3.441 3.462 . 0 0 "[ . 1 . 2]" 1
1287 1 107 ILE MG 1 111 TYR QE 3.763 . 3.763 1.579 1.475 1.599 0.325 15 0 "[ . 1 . 2]" 1
1288 1 108 ILE HA 1 111 TYR QD 5.600 . 5.600 2.962 2.916 3.058 . 0 0 "[ . 1 . 2]" 1
1289 1 108 ILE HA 1 111 TYR QE 5.600 . 5.600 2.703 2.639 2.808 . 0 0 "[ . 1 . 2]" 1
1290 1 45 ILE HB 1 108 ILE MD 4.080 . 4.080 3.360 3.227 3.416 . 0 0 "[ . 1 . 2]" 1
1291 1 48 LEU HA 1 108 ILE MD 6.000 . 6.000 3.828 3.541 4.071 . 0 0 "[ . 1 . 2]" 1
1292 1 48 LEU MD1 1 108 ILE MD 4.032 . 4.032 2.668 1.794 2.803 0.006 14 0 "[ . 1 . 2]" 1
1293 1 48 LEU HG 1 108 ILE MD 6.000 . 6.000 4.283 3.624 4.726 . 0 0 "[ . 1 . 2]" 1
1294 1 105 GLN HA 1 108 ILE MD 4.080 . 4.080 3.431 3.399 3.468 . 0 0 "[ . 1 . 2]" 1
1295 1 45 ILE HB 1 108 ILE MG 6.000 . 6.000 4.818 4.644 4.948 . 0 0 "[ . 1 . 2]" 1
1296 1 108 ILE HA 1 108 ILE MG 3.360 . 3.360 2.322 2.290 2.343 . 0 0 "[ . 1 . 2]" 1
1297 1 108 ILE MG 1 109 SER HA 6.000 . 6.000 3.362 3.262 3.426 . 0 0 "[ . 1 . 2]" 1
1298 1 108 ILE MG 1 111 TYR QD 4.570 . 4.570 2.877 2.738 3.015 . 0 0 "[ . 1 . 2]" 1
1299 1 108 ILE MG 1 112 LYS QE 4.570 . 4.570 3.101 2.973 3.222 . 0 0 "[ . 1 . 2]" 1
1300 1 108 ILE MG 1 112 LYS QG 4.570 . 4.570 3.418 3.410 3.424 . 0 0 "[ . 1 . 2]" 1
1301 1 109 SER HA 1 112 LYS QB 5.600 . 5.600 3.937 3.888 3.969 . 0 0 "[ . 1 . 2]" 1
1302 1 109 SER QB 1 110 ARG QB 6.272 . 6.272 4.629 4.078 5.007 . 0 0 "[ . 1 . 2]" 1
1303 1 110 ARG HA 1 113 ASP QB 3.808 . 3.808 1.990 1.926 2.089 . 0 0 "[ . 1 . 2]" 1
1304 1 107 ILE HA 1 110 ARG QD 5.600 . 5.600 2.827 1.918 5.005 . 0 0 "[ . 1 . 2]" 1
1305 1 110 ARG QD 1 111 TYR QE 6.272 . 6.272 3.922 3.364 4.807 . 0 0 "[ . 1 . 2]" 1
1306 1 110 ARG HA 1 110 ARG QG 3.808 . 3.808 2.552 1.995 3.330 . 0 0 "[ . 1 . 2]" 1
1307 1 108 ILE HA 1 111 TYR QB 5.600 . 5.600 3.717 3.665 3.805 . 0 0 "[ . 1 . 2]" 1
1308 1 43 SER HA 1 111 TYR QD 3.808 . 3.808 2.648 2.459 2.874 . 0 0 "[ . 1 . 2]" 1
1309 1 24 PRO HA 1 111 TYR QE 5.600 . 5.600 4.785 4.425 4.999 . 0 0 "[ . 1 . 2]" 1
1310 1 25 ALA MB 1 111 TYR QE 4.265 . 4.265 3.172 3.143 3.183 . 0 0 "[ . 1 . 2]" 1
1311 1 42 LEU QB 1 111 TYR QE 6.272 . 6.272 1.871 1.808 1.934 . 0 0 "[ . 1 . 2]" 1
1312 1 43 SER HA 1 111 TYR QE 5.600 . 5.600 3.057 2.991 3.142 . 0 0 "[ . 1 . 2]" 1
1313 1 108 ILE MD 1 111 TYR QE 3.763 . 3.763 2.795 2.711 2.812 . 0 0 "[ . 1 . 2]" 1
1314 1 112 LYS HA 1 112 LYS QD 3.136 . 3.136 2.921 2.913 2.934 . 0 0 "[ . 1 . 2]" 1
1315 1 112 LYS HA 1 115 ASP QB 5.600 . 5.600 2.083 1.928 3.002 . 0 0 "[ . 1 . 2]" 1
1316 1 108 ILE MG 1 112 LYS QD 3.763 . 3.763 1.888 1.857 1.928 . 0 0 "[ . 1 . 2]" 1
1317 1 109 SER HA 1 112 LYS QD 3.808 . 3.808 2.543 2.446 2.616 . 0 0 "[ . 1 . 2]" 1
1318 1 112 LYS HA 1 112 LYS QE 5.600 . 5.600 3.327 3.214 3.579 . 0 0 "[ . 1 . 2]" 1
1319 1 109 SER HA 1 112 LYS QG 5.600 . 5.600 1.931 1.884 1.963 . 0 0 "[ . 1 . 2]" 1
1320 1 112 LYS HA 1 112 LYS QG 3.808 . 3.808 3.442 3.436 3.444 . 0 0 "[ . 1 . 2]" 1
1321 1 113 ASP QB 1 114 ALA HA 5.600 . 5.600 4.198 4.015 4.283 . 0 0 "[ . 1 . 2]" 1
1322 1 114 ALA HA 1 115 ASP HA 5.000 . 5.000 4.831 4.499 4.918 . 0 0 "[ . 1 . 2]" 1
1323 1 111 TYR HA 1 114 ALA MB 3.808 . 3.808 2.585 2.511 2.640 . 0 0 "[ . 1 . 2]" 1
1324 1 113 ASP QB 1 114 ALA MB 6.272 . 6.272 3.684 3.650 3.729 . 0 0 "[ . 1 . 2]" 1
1325 1 114 ALA MB 1 115 ASP HA 5.600 . 5.600 3.966 3.928 4.192 . 0 0 "[ . 1 . 2]" 1
1326 2 31 PHE HA 2 32 GLU H 3.400 . 3.400 2.217 2.134 2.443 . 0 0 "[ . 1 . 2]" 1
1327 2 37 LYS HA 2 38 SER H 3.400 . 3.400 2.316 2.138 2.432 . 0 0 "[ . 1 . 2]" 1
1328 2 30 LEU HA 2 31 PHE H 3.400 . 3.400 3.093 3.048 3.463 0.063 4 0 "[ . 1 . 2]" 1
1329 2 38 SER HA 2 39 GLN H 3.400 . 3.400 2.698 2.142 3.508 0.108 18 0 "[ . 1 . 2]" 1
1330 2 40 ILE HA 2 41 SER H 3.400 . 3.400 2.855 2.204 3.430 0.030 20 0 "[ . 1 . 2]" 1
1331 2 27 SER HA 2 28 GLU H 3.400 . 3.400 2.667 2.206 3.519 0.119 8 0 "[ . 1 . 2]" 1
1332 2 29 GLU HA 2 30 LEU H 3.400 . 3.400 3.369 3.155 3.519 0.119 8 0 "[ . 1 . 2]" 1
1333 2 28 GLU HA 2 29 GLU H 2.800 . 2.800 2.987 2.984 2.994 0.194 4 0 "[ . 1 . 2]" 1
1334 2 25 VAL HA 2 26 LEU H 2.800 . 2.800 2.482 2.212 2.802 0.002 19 0 "[ . 1 . 2]" 1
1335 2 22 ASP HA 2 23 LEU H 2.800 . 2.800 2.390 2.211 2.801 0.001 6 0 "[ . 1 . 2]" 1
1336 2 26 LEU HA 2 27 SER H 2.800 . 2.800 2.380 2.138 2.825 0.025 4 0 "[ . 1 . 2]" 1
1337 2 24 GLU HA 2 25 VAL H 2.800 . 2.800 2.368 2.213 2.808 0.008 20 0 "[ . 1 . 2]" 1
1338 2 39 GLN HA 2 40 ILE H 2.800 . 2.800 2.334 2.141 2.739 . 0 0 "[ . 1 . 2]" 1
1339 2 24 GLU H 2 24 GLU HA 2.800 . 2.800 2.604 2.272 2.883 0.083 17 0 "[ . 1 . 2]" 1
1340 2 23 LEU H 2 24 GLU H 3.400 . 3.400 2.532 1.916 3.398 . 0 0 "[ . 1 . 2]" 1
1341 2 24 GLU H 2 25 VAL H 3.400 . 3.400 3.219 2.031 3.411 0.011 17 0 "[ . 1 . 2]" 1
1342 2 25 VAL H 2 26 LEU H 3.400 . 3.400 3.142 2.379 3.404 0.004 2 0 "[ . 1 . 2]" 1
1343 2 27 SER H 2 28 GLU H 3.400 . 3.400 3.235 1.978 3.438 0.038 4 0 "[ . 1 . 2]" 1
1344 2 29 GLU H 2 30 LEU H 3.400 . 3.400 2.278 2.049 2.545 . 0 0 "[ . 1 . 2]" 1
1345 2 30 LEU H 2 31 PHE H 3.400 . 3.400 2.362 1.905 2.624 . 0 0 "[ . 1 . 2]" 1
1346 2 31 PHE H 2 32 GLU H 5.000 . 5.000 4.541 4.464 4.611 . 0 0 "[ . 1 . 2]" 1
1347 2 37 LYS H 2 38 SER H 5.000 . 5.000 4.391 3.658 4.655 . 0 0 "[ . 1 . 2]" 1
1348 2 39 GLN H 2 40 ILE H 5.000 . 5.000 4.014 3.190 4.645 . 0 0 "[ . 1 . 2]" 1
1349 2 40 ILE H 2 41 SER H 3.400 . 3.400 2.702 1.995 3.405 0.005 4 0 "[ . 1 . 2]" 1
1350 1 59 MET ME 2 26 LEU QD 6.000 2.800 6.000 2.103 1.850 2.791 0.950 9 17 "[********+1****. *-**]" 1
1351 1 59 MET QB 2 31 PHE QE 6.000 . 6.000 2.753 2.057 4.620 . 0 0 "[ . 1 . 2]" 1
1352 1 59 MET QG 2 31 PHE QE 6.000 . 6.000 3.799 3.295 4.773 . 0 0 "[ . 1 . 2]" 1
1353 1 59 MET ME 2 27 SER HA 6.000 . 6.000 4.290 2.930 5.002 . 0 0 "[ . 1 . 2]" 1
1354 1 59 MET ME 2 27 SER QB 6.000 . 6.000 3.915 3.001 4.461 . 0 0 "[ . 1 . 2]" 1
1355 1 59 MET ME 2 30 LEU QD 5.000 . 5.000 2.839 2.037 3.104 . 0 0 "[ . 1 . 2]" 1
1356 1 59 MET ME 2 31 PHE QD 6.000 . 6.000 3.422 2.978 3.861 . 0 0 "[ . 1 . 2]" 1
1357 1 59 MET ME 2 31 PHE QE 6.000 . 6.000 2.085 1.803 3.837 . 0 0 "[ . 1 . 2]" 1
1358 1 50 ALA HA 2 31 PHE QD 5.000 . 5.000 3.846 3.216 4.456 . 0 0 "[ . 1 . 2]" 1
1359 1 51 THR MG 2 31 PHE QD 6.000 . 6.000 3.043 2.448 3.768 . 0 0 "[ . 1 . 2]" 1
1360 1 51 THR MG 2 31 PHE QE 6.000 . 6.000 2.934 2.242 4.478 . 0 0 "[ . 1 . 2]" 1
1361 1 57 LYS QD 2 26 LEU QD 6.000 . 6.000 3.689 3.035 3.975 . 0 0 "[ . 1 . 2]" 1
1362 1 57 LYS QE 2 26 LEU QD 6.000 . 6.000 2.967 1.683 3.879 0.117 11 0 "[ . 1 . 2]" 1
1363 1 57 LYS QE 2 30 LEU MD1 6.000 . 6.000 3.026 1.783 4.451 0.017 20 0 "[ . 1 . 2]" 1
1364 1 57 LYS QG 2 30 LEU MD1 6.000 . 6.000 3.216 1.965 4.447 . 0 0 "[ . 1 . 2]" 1
1365 1 57 LYS QD 2 30 LEU MD1 6.000 . 6.000 3.785 2.854 4.454 . 0 0 "[ . 1 . 2]" 1
1366 1 57 LYS QE 2 30 LEU MD2 6.000 . 6.000 3.099 1.708 4.317 0.092 12 0 "[ . 1 . 2]" 1
1367 1 57 LYS QG 2 30 LEU MD2 6.000 . 6.000 3.009 1.808 4.456 . 0 0 "[ . 1 . 2]" 1
1368 1 57 LYS QD 2 30 LEU MD2 6.000 . 6.000 3.823 2.103 4.456 . 0 0 "[ . 1 . 2]" 1
1369 1 88 MET ME 2 26 LEU QD 6.000 . 6.000 2.894 1.937 3.709 . 0 0 "[ . 1 . 2]" 1
1370 1 88 MET QG 2 31 PHE QE 6.000 . 6.000 3.189 2.738 3.731 . 0 0 "[ . 1 . 2]" 1
1371 1 88 MET QG 2 31 PHE QD 6.000 . 6.000 4.597 4.243 4.770 . 0 0 "[ . 1 . 2]" 1
1372 1 88 MET ME 2 31 PHE QB 6.000 . 6.000 4.410 3.893 4.462 . 0 0 "[ . 1 . 2]" 1
1373 1 88 MET ME 2 31 PHE QD 5.000 . 5.000 3.468 2.903 3.714 . 0 0 "[ . 1 . 2]" 1
1374 1 88 MET ME 2 31 PHE QE 5.000 . 5.000 2.410 1.902 3.380 . 0 0 "[ . 1 . 2]" 1
1375 1 49 GLN HA 2 34 VAL QG 6.000 . 6.000 2.794 2.207 3.184 . 0 0 "[ . 1 . 2]" 1
1376 1 49 GLN HA 2 33 ASP HA 6.000 . 6.000 2.128 1.940 2.523 . 0 0 "[ . 1 . 2]" 1
1377 1 49 GLN QB 2 33 ASP HA 6.000 . 6.000 3.413 2.669 4.146 . 0 0 "[ . 1 . 2]" 1
1378 1 49 GLN QG 2 33 ASP HA 6.000 . 6.000 2.495 1.867 4.140 . 0 0 "[ . 1 . 2]" 1
1379 1 49 GLN QB 2 33 ASP QB 6.000 . 6.000 4.135 3.552 4.765 . 0 0 "[ . 1 . 2]" 1
1380 1 49 GLN QG 2 33 ASP QB 6.000 . 6.000 3.014 1.972 3.999 . 0 0 "[ . 1 . 2]" 1
1381 1 50 ALA HA 2 34 VAL QG 6.000 . 6.000 3.912 3.513 4.053 . 0 0 "[ . 1 . 2]" 1
1382 1 50 ALA MB 2 34 VAL QG 6.000 . 6.000 1.789 1.713 1.845 0.087 7 0 "[ . 1 . 2]" 1
1383 1 60 LEU QD 2 34 VAL QG 6.000 . 6.000 3.318 3.303 3.325 . 0 0 "[ . 1 . 2]" 1
1384 1 105 GLN QB 2 34 VAL QG 6.000 . 6.000 3.305 2.383 3.969 . 0 0 "[ . 1 . 2]" 1
1385 1 105 GLN HA 2 34 VAL QG 6.000 . 6.000 4.358 4.055 4.471 . 0 0 "[ . 1 . 2]" 1
1386 1 105 GLN QG 2 34 VAL QG 6.000 . 6.000 2.812 1.712 3.968 0.088 7 0 "[ . 1 . 2]" 1
1387 1 105 GLN QG 2 36 THR MG 6.000 . 6.000 3.268 1.793 4.457 0.007 15 0 "[ . 1 . 2]" 1
1388 1 105 GLN HA 2 36 THR MG 6.000 . 6.000 3.020 2.447 3.629 . 0 0 "[ . 1 . 2]" 1
1389 1 105 GLN QG 2 36 THR HA 6.000 . 6.000 4.153 2.544 5.267 . 0 0 "[ . 1 . 2]" 1
1390 1 108 ILE MG 2 36 THR HA 6.000 . 6.000 4.188 3.906 4.397 . 0 0 "[ . 1 . 2]" 1
1391 1 108 ILE MG 2 36 THR HB 5.000 . 5.000 2.842 2.044 3.754 . 0 0 "[ . 1 . 2]" 1
1392 1 108 ILE MD 2 36 THR MG 5.000 . 5.000 2.603 2.294 2.928 . 0 0 "[ . 1 . 2]" 1
1393 1 108 ILE MG 2 36 THR MG 5.000 . 5.000 1.863 1.718 2.060 0.082 13 0 "[ . 1 . 2]" 1
1394 1 108 ILE HB 2 36 THR MG 6.000 . 6.000 2.415 2.006 2.991 . 0 0 "[ . 1 . 2]" 1
1395 1 109 SER QB 2 36 THR HA 6.000 . 6.000 4.188 3.643 4.878 . 0 0 "[ . 1 . 2]" 1
1396 1 109 SER HA 2 36 THR HA 6.000 . 6.000 4.627 4.220 4.954 . 0 0 "[ . 1 . 2]" 1
1397 1 109 SER QB 2 36 THR HB 6.000 . 6.000 5.004 3.925 5.361 . 0 0 "[ . 1 . 2]" 1
1398 1 109 SER HA 2 36 THR HB 6.000 . 6.000 4.255 3.299 4.967 . 0 0 "[ . 1 . 2]" 1
1399 1 109 SER HA 2 36 THR MG 6.000 . 6.000 4.169 3.362 4.722 . 0 0 "[ . 1 . 2]" 1
1400 1 109 SER QB 2 36 THR MG 6.000 . 6.000 4.327 3.717 4.456 . 0 0 "[ . 1 . 2]" 1
1401 1 112 LYS QD 2 36 THR HA 6.000 . 6.000 5.278 5.054 5.366 . 0 0 "[ . 1 . 2]" 1
1402 1 112 LYS QE 2 36 THR HA 6.000 . 6.000 5.357 5.350 5.364 . 0 0 "[ . 1 . 2]" 1
1403 1 112 LYS QG 2 36 THR HB 6.000 . 6.000 3.632 2.976 4.265 . 0 0 "[ . 1 . 2]" 1
1404 1 112 LYS QD 2 36 THR HB 6.000 . 6.000 3.701 2.988 4.466 . 0 0 "[ . 1 . 2]" 1
1405 1 112 LYS QE 2 36 THR HB 6.000 . 6.000 3.235 2.814 3.718 . 0 0 "[ . 1 . 2]" 1
1406 1 112 LYS QD 2 36 THR MG 6.000 . 6.000 3.782 2.831 4.359 . 0 0 "[ . 1 . 2]" 1
1407 1 112 LYS QE 2 36 THR MG 6.000 . 6.000 4.083 2.804 4.465 . 0 0 "[ . 1 . 2]" 1
1408 1 101 LYS HA 2 34 VAL QG 6.000 . 6.000 3.859 3.561 4.099 . 0 0 "[ . 1 . 2]" 1
1409 1 101 LYS QD 2 34 VAL QG 5.000 . 5.000 1.878 1.735 2.355 0.065 5 0 "[ . 1 . 2]" 1
1410 1 101 LYS QE 2 34 VAL QG 5.000 . 5.000 3.078 2.531 3.307 . 0 0 "[ . 1 . 2]" 1
1411 1 48 LEU HA 2 34 VAL QG 6.000 . 6.000 4.046 3.693 4.453 . 0 0 "[ . 1 . 2]" 1
1412 1 48 LEU QB 2 34 VAL QG 6.000 . 6.000 2.534 2.054 3.545 . 0 0 "[ . 1 . 2]" 1
1413 1 48 LEU QB 2 36 THR MG 6.000 . 6.000 2.751 2.495 3.066 . 0 0 "[ . 1 . 2]" 1
1414 1 48 LEU QB 2 34 VAL HB 6.000 . 6.000 4.249 1.926 5.164 . 0 0 "[ . 1 . 2]" 1
1415 1 48 LEU HG 2 34 VAL QG 5.000 . 5.000 2.301 1.903 3.239 . 0 0 "[ . 1 . 2]" 1
1416 1 48 LEU HG 2 34 VAL HB 6.000 . 6.000 4.526 2.926 5.168 . 0 0 "[ . 1 . 2]" 1
1417 1 48 LEU QD 2 34 VAL HB 6.000 . 6.000 3.351 2.365 3.751 . 0 0 "[ . 1 . 2]" 1
1418 1 48 LEU QD 2 36 THR MG 5.000 . 5.000 3.058 2.726 3.151 . 0 0 "[ . 1 . 2]" 1
1419 1 48 LEU QD 2 34 VAL QG 5.000 . 5.000 1.897 1.653 2.752 0.147 9 0 "[ . 1 . 2]" 1
1420 1 47 LYS HA 2 36 THR MG 6.000 . 6.000 4.194 3.632 4.673 . 0 0 "[ . 1 . 2]" 1
1421 2 30 LEU H 2 31 PHE QD 3.800 . 3.800 3.247 2.753 3.408 . 0 0 "[ . 1 . 2]" 1
1422 2 31 PHE QD 2 32 GLU H 5.600 . 5.600 3.897 2.984 4.399 . 0 0 "[ . 1 . 2]" 1
1423 2 31 PHE QB 2 32 GLU H 5.600 . 5.600 3.113 2.444 3.466 . 0 0 "[ . 1 . 2]" 1
1424 2 35 PRO HA 2 36 THR H 5.000 . 5.000 2.174 2.137 2.279 . 0 0 "[ . 1 . 2]" 1
1425 2 35 PRO QB 2 36 THR H 3.800 . 3.800 3.196 2.800 3.338 . 0 0 "[ . 1 . 2]" 1
1426 2 35 PRO QD 2 36 THR H 5.600 . 5.600 4.975 4.902 5.002 . 0 0 "[ . 1 . 2]" 1
1427 2 34 VAL H 2 35 PRO QD 5.600 . 5.600 4.347 4.186 4.411 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 3.013
_Distance_constraint_stats_list.Viol_max 0.019
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0084
_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 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.003 0.002 4 0 "[ . 1 . 2]"
1 19 ASN 0.148 0.019 14 0 "[ . 1 . 2]"
1 26 GLU 0.148 0.019 14 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.003 0.002 4 0 "[ . 1 . 2]"
1 29 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ILE H 1 90 SER O 2.000 . 2.500 1.912 1.800 2.089 . 0 0 "[ . 1 . 2]" 2
2 1 8 ILE N 1 90 SER O 3.000 2.300 3.500 2.632 2.548 2.830 . 0 0 "[ . 1 . 2]" 2
3 1 15 ILE H 1 30 ARG O 2.000 . 2.500 1.550 1.486 1.603 . 0 0 "[ . 1 . 2]" 2
4 1 15 ILE N 1 30 ARG O 3.000 2.300 3.500 2.446 2.425 2.464 . 0 0 "[ . 1 . 2]" 2
5 1 5 GLY O 1 16 ILE H 2.000 . 2.500 1.718 1.596 1.778 . 0 0 "[ . 1 . 2]" 2
6 1 5 GLY O 1 16 ILE N 3.000 2.300 3.500 2.478 2.397 2.538 . 0 0 "[ . 1 . 2]" 2
7 1 17 ALA H 1 28 THR O 2.000 . 2.500 2.207 1.815 2.441 . 0 0 "[ . 1 . 2]" 2
8 1 17 ALA N 1 28 THR O 3.000 2.300 3.500 2.937 2.784 3.044 . 0 0 "[ . 1 . 2]" 2
9 1 19 ASN O 1 26 GLU H 2.000 . 2.500 2.483 2.040 2.519 0.019 14 0 "[ . 1 . 2]" 2
10 1 19 ASN O 1 26 GLU N 3.000 2.300 3.500 3.303 2.963 3.361 . 0 0 "[ . 1 . 2]" 2
11 1 27 LEU H 1 40 VAL O 2.000 . 2.500 1.805 1.580 1.942 . 0 0 "[ . 1 . 2]" 2
12 1 27 LEU N 1 40 VAL O 3.000 2.300 3.500 2.669 2.536 2.797 . 0 0 "[ . 1 . 2]" 2
13 1 17 ALA O 1 28 THR H 2.000 . 2.500 1.864 1.617 2.502 0.002 4 0 "[ . 1 . 2]" 2
14 1 17 ALA O 1 28 THR N 3.000 2.300 3.500 2.730 2.582 3.128 . 0 0 "[ . 1 . 2]" 2
15 1 29 TRP H 1 38 HIS O 2.000 . 2.500 1.768 1.704 1.825 . 0 0 "[ . 1 . 2]" 2
16 1 29 TRP N 1 38 HIS O 3.000 2.300 3.500 2.715 2.658 2.757 . 0 0 "[ . 1 . 2]" 2
17 1 15 ILE O 1 30 ARG H 2.000 . 2.500 1.647 1.630 1.683 . 0 0 "[ . 1 . 2]" 2
18 1 15 ILE O 1 30 ARG N 3.000 2.300 3.500 2.560 2.533 2.608 . 0 0 "[ . 1 . 2]" 2
19 1 29 TRP O 1 38 HIS H 2.000 . 2.500 1.680 1.633 1.804 . 0 0 "[ . 1 . 2]" 2
20 1 29 TRP O 1 38 HIS N 3.000 2.300 3.500 2.597 2.558 2.717 . 0 0 "[ . 1 . 2]" 2
21 1 27 LEU O 1 40 VAL H 2.000 . 2.500 1.617 1.582 1.650 . 0 0 "[ . 1 . 2]" 2
22 1 27 LEU O 1 40 VAL N 3.000 2.300 3.500 2.555 2.513 2.605 . 0 0 "[ . 1 . 2]" 2
23 1 49 GLN H 1 61 ARG O 2.000 . 2.500 1.608 1.570 1.650 . 0 0 "[ . 1 . 2]" 2
24 1 49 GLN N 1 61 ARG O 3.000 2.300 3.500 2.515 2.474 2.559 . 0 0 "[ . 1 . 2]" 2
25 1 60 LEU H 1 89 PHE O 2.000 . 2.500 1.705 1.606 1.920 . 0 0 "[ . 1 . 2]" 2
26 1 60 LEU N 1 89 PHE O 3.000 2.300 3.500 2.616 2.534 2.885 . 0 0 "[ . 1 . 2]" 2
27 1 49 GLN O 1 61 ARG H 2.000 . 2.500 1.486 1.459 1.522 . 0 0 "[ . 1 . 2]" 2
28 1 49 GLN O 1 61 ARG N 3.000 2.300 3.500 2.417 2.362 2.452 . 0 0 "[ . 1 . 2]" 2
29 1 62 LEU H 1 87 HIS O 2.000 . 2.500 1.848 1.651 2.052 . 0 0 "[ . 1 . 2]" 2
30 1 62 LEU N 1 87 HIS O 3.000 2.300 3.500 2.775 2.588 2.962 . 0 0 "[ . 1 . 2]" 2
31 1 47 LYS O 1 63 ILE H 2.000 . 2.500 1.890 1.776 2.164 . 0 0 "[ . 1 . 2]" 2
32 1 47 LYS O 1 63 ILE N 3.000 2.300 3.500 2.750 2.650 2.949 . 0 0 "[ . 1 . 2]" 2
33 1 60 LEU O 1 89 PHE H 2.000 . 2.500 1.764 1.643 1.896 . 0 0 "[ . 1 . 2]" 2
34 1 60 LEU O 1 89 PHE N 3.000 2.300 3.500 2.605 2.543 2.694 . 0 0 "[ . 1 . 2]" 2
35 1 8 ILE O 1 90 SER H 2.000 . 2.500 2.081 1.985 2.214 . 0 0 "[ . 1 . 2]" 2
36 1 8 ILE O 1 90 SER N 3.000 2.300 3.500 3.007 2.914 3.127 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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