NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430462 |
2joa   |
15154 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2joa
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 1275
_Distance_constraint_stats_list.Viol_count 259
_Distance_constraint_stats_list.Viol_total 134.364
_Distance_constraint_stats_list.Viol_max 0.151
_Distance_constraint_stats_list.Viol_rms 0.0038
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0259
_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 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TYR 0.004 0.004 13 0 "[ . 1 . 2]"
1 8 ILE 0.396 0.064 20 0 "[ . 1 . 2]"
1 9 GLY 0.273 0.042 18 0 "[ . 1 . 2]"
1 10 ILE 0.396 0.064 20 0 "[ . 1 . 2]"
1 11 ARG 0.174 0.024 14 0 "[ . 1 . 2]"
1 12 MET 0.431 0.136 7 0 "[ . 1 . 2]"
1 13 MET 0.074 0.033 10 0 "[ . 1 . 2]"
1 14 SER 0.066 0.018 6 0 "[ . 1 . 2]"
1 15 LEU 0.118 0.072 6 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.004 0.004 11 0 "[ . 1 . 2]"
1 23 LEU 0.090 0.072 6 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 HIS 0.245 0.054 15 0 "[ . 1 . 2]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 0.245 0.054 15 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.028 0.017 3 0 "[ . 1 . 2]"
1 37 ALA 0.070 0.054 3 0 "[ . 1 . 2]"
1 38 TYR 0.069 0.018 6 0 "[ . 1 . 2]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.669 0.133 18 0 "[ . 1 . 2]"
1 43 ILE 0.795 0.079 11 0 "[ . 1 . 2]"
1 44 PRO 0.243 0.056 5 0 "[ . 1 . 2]"
1 45 ASP 0.419 0.077 20 0 "[ . 1 . 2]"
1 46 THR 0.612 0.079 11 0 "[ . 1 . 2]"
1 47 PRO 0.024 0.019 10 0 "[ . 1 . 2]"
1 48 ALA 0.686 0.133 18 0 "[ . 1 . 2]"
1 49 GLU 0.118 0.044 1 0 "[ . 1 . 2]"
1 50 ALA 0.001 0.001 19 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.001 0.001 19 0 "[ . 1 . 2]"
1 53 LEU 1.057 0.086 5 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 0.004 0.004 12 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.004 0.004 12 0 "[ . 1 . 2]"
1 60 ILE 0.082 0.038 10 0 "[ . 1 . 2]"
1 61 SER 0.044 0.029 7 0 "[ . 1 . 2]"
1 62 ILE 0.110 0.016 17 0 "[ . 1 . 2]"
1 63 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.110 0.016 17 0 "[ . 1 . 2]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.008 0.004 14 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASN 0.014 0.004 14 0 "[ . 1 . 2]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 0.070 0.054 3 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ILE 0.007 0.007 12 0 "[ . 1 . 2]"
1 78 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 0.319 0.039 15 0 "[ . 1 . 2]"
1 80 GLU 0.511 0.039 15 0 "[ . 1 . 2]"
1 81 SER 0.010 0.006 4 0 "[ . 1 . 2]"
1 82 THR 0.185 0.031 15 0 "[ . 1 . 2]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.462 0.049 8 0 "[ . 1 . 2]"
1 88 ARG 0.006 0.006 5 0 "[ . 1 . 2]"
1 89 ARG 0.586 0.151 6 0 "[ . 1 . 2]"
1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASN 0.270 0.047 12 0 "[ . 1 . 2]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ILE 1.048 0.151 6 0 "[ . 1 . 2]"
1 95 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 VAL 0.010 0.006 8 0 "[ . 1 . 2]"
1 99 ILE 0.009 0.004 7 0 "[ . 1 . 2]"
1 100 PRO 0.010 0.006 4 0 "[ . 1 . 2]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLU 0.004 0.004 13 0 "[ . 1 . 2]"
1 103 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 SER 0.074 0.033 10 0 "[ . 1 . 2]"
2 3 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 ILE 0.041 0.027 13 0 "[ . 1 . 2]"
2 5 TRP 0.021 0.014 13 0 "[ . 1 . 2]"
2 6 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 VAL 0.611 0.136 7 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 6 LYS HA 1 102 GLU HA 5.500 . 5.500 3.014 2.315 3.433 . 0 0 "[ . 1 . 2]" 1
2 1 6 LYS HB2 1 7 TYR H 4.500 . 4.500 3.855 3.121 4.480 . 0 0 "[ . 1 . 2]" 1
3 1 6 LYS HB3 1 7 TYR H 4.500 . 4.500 2.659 1.972 3.628 . 0 0 "[ . 1 . 2]" 1
4 1 7 TYR HA 1 8 ILE MG 5.500 . 6.000 4.100 3.866 4.306 . 0 0 "[ . 1 . 2]" 1
5 1 7 TYR HA 1 8 ILE H 3.600 . 3.600 2.155 2.130 2.360 . 0 0 "[ . 1 . 2]" 1
6 1 7 TYR HB2 1 8 ILE HA 6.000 . 6.000 5.805 5.686 5.873 . 0 0 "[ . 1 . 2]" 1
7 1 7 TYR HB2 1 102 GLU HA 6.000 . 6.000 5.121 4.077 6.004 0.004 13 0 "[ . 1 . 2]" 1
8 1 7 TYR HB2 1 103 ILE MD 5.500 . 6.000 4.160 2.140 4.903 . 0 0 "[ . 1 . 2]" 1
9 1 7 TYR HB2 1 103 ILE MG 4.500 . 5.000 2.114 1.819 2.682 . 0 0 "[ . 1 . 2]" 1
10 1 7 TYR HB3 1 103 ILE MD 5.500 . 6.000 3.887 2.660 4.582 . 0 0 "[ . 1 . 2]" 1
11 1 7 TYR HB3 1 103 ILE MG 4.500 . 5.000 2.460 1.837 2.871 . 0 0 "[ . 1 . 2]" 1
12 1 7 TYR QD 1 8 ILE H 5.500 . 6.500 3.295 2.726 3.747 . 0 0 "[ . 1 . 2]" 1
13 1 7 TYR QD 1 9 GLY HA2 5.500 . 6.500 4.153 3.537 4.950 . 0 0 "[ . 1 . 2]" 1
14 1 7 TYR QD 1 9 GLY HA3 6.000 . 7.000 4.320 3.574 4.990 . 0 0 "[ . 1 . 2]" 1
15 1 7 TYR QD 1 9 GLY H 6.000 . 7.000 3.190 2.459 4.099 . 0 0 "[ . 1 . 2]" 1
16 1 7 TYR QD 1 46 THR HB 6.000 . 7.000 4.665 3.322 6.142 . 0 0 "[ . 1 . 2]" 1
17 1 7 TYR QD 1 47 PRO HD3 6.000 . 7.000 5.116 3.815 6.130 . 0 0 "[ . 1 . 2]" 1
18 1 7 TYR QD 1 47 PRO HD2 6.000 . 7.000 4.997 3.804 6.046 . 0 0 "[ . 1 . 2]" 1
19 1 7 TYR QD 1 103 ILE MD 4.500 . 6.000 3.497 2.291 4.487 . 0 0 "[ . 1 . 2]" 1
20 1 7 TYR QD 1 103 ILE MG 4.500 . 6.000 3.003 2.141 3.695 . 0 0 "[ . 1 . 2]" 1
21 1 7 TYR QE 1 9 GLY HA2 5.500 . 6.500 2.905 2.013 4.228 . 0 0 "[ . 1 . 2]" 1
22 1 7 TYR QE 1 9 GLY HA3 5.500 . 6.500 3.136 2.360 4.008 . 0 0 "[ . 1 . 2]" 1
23 1 7 TYR QE 1 9 GLY H 6.000 . 7.000 3.316 2.975 4.039 . 0 0 "[ . 1 . 2]" 1
24 1 7 TYR QE 1 43 ILE MG 6.000 . 7.500 4.421 3.214 5.014 . 0 0 "[ . 1 . 2]" 1
25 1 7 TYR QE 1 46 THR HB 6.000 . 7.000 4.383 3.252 5.781 . 0 0 "[ . 1 . 2]" 1
26 1 7 TYR QE 1 103 ILE MD 6.000 . 7.500 4.133 3.079 4.945 . 0 0 "[ . 1 . 2]" 1
27 1 7 TYR QE 1 103 ILE MG 5.500 . 7.000 4.415 3.382 5.216 . 0 0 "[ . 1 . 2]" 1
28 1 7 TYR H 1 100 PRO HA 6.000 . 6.000 4.331 3.540 5.010 . 0 0 "[ . 1 . 2]" 1
29 1 7 TYR H 1 101 GLU H 6.000 . 6.000 2.992 2.468 3.723 . 0 0 "[ . 1 . 2]" 1
30 1 8 ILE HA 1 47 PRO HD2 5.500 . 5.500 2.403 1.976 2.904 . 0 0 "[ . 1 . 2]" 1
31 1 8 ILE HA 1 47 PRO HG2 5.500 . 5.500 2.955 2.233 3.987 . 0 0 "[ . 1 . 2]" 1
32 1 8 ILE HA 1 48 ALA H 5.500 . 5.500 4.211 3.529 4.998 . 0 0 "[ . 1 . 2]" 1
33 1 8 ILE HA 1 98 VAL MG1 6.000 . 6.500 4.566 4.023 5.353 . 0 0 "[ . 1 . 2]" 1
34 1 8 ILE HA 1 101 GLU H 6.000 . 6.000 3.853 3.392 4.414 . 0 0 "[ . 1 . 2]" 1
35 1 8 ILE HB 1 48 ALA MB 5.500 . 6.000 2.877 2.235 3.723 . 0 0 "[ . 1 . 2]" 1
36 1 8 ILE MD 1 9 GLY H 5.500 . 6.000 4.452 3.557 4.966 . 0 0 "[ . 1 . 2]" 1
37 1 8 ILE MD 1 10 ILE MG 3.600 . 4.600 1.803 1.736 1.890 0.064 20 0 "[ . 1 . 2]" 1
38 1 8 ILE MD 1 48 ALA HA 6.000 . 6.500 4.844 4.393 5.081 . 0 0 "[ . 1 . 2]" 1
39 1 8 ILE MD 1 48 ALA H 6.000 . 6.500 5.223 4.627 5.338 . 0 0 "[ . 1 . 2]" 1
40 1 8 ILE MD 1 77 ILE MD 3.600 . 4.600 2.207 1.874 2.558 . 0 0 "[ . 1 . 2]" 1
41 1 8 ILE MD 1 77 ILE HG13 4.500 . 5.000 3.882 3.445 4.162 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE MD 1 100 PRO HA 6.000 . 6.500 4.894 4.456 5.350 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE HG13 1 9 GLY H 5.500 . 5.500 2.921 1.832 3.645 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE HG13 1 10 ILE MG 4.500 . 5.000 1.911 1.794 2.214 0.006 7 0 "[ . 1 . 2]" 1
45 1 8 ILE HG13 1 10 ILE H 5.500 . 5.500 2.932 2.710 3.181 . 0 0 "[ . 1 . 2]" 1
46 1 8 ILE HG12 1 9 GLY HA2 6.000 . 6.000 5.513 5.337 5.766 . 0 0 "[ . 1 . 2]" 1
47 1 8 ILE HG12 1 9 GLY H 6.000 . 6.000 3.556 3.047 3.940 . 0 0 "[ . 1 . 2]" 1
48 1 8 ILE HG12 1 10 ILE MG 4.500 . 5.000 3.237 3.122 3.586 . 0 0 "[ . 1 . 2]" 1
49 1 8 ILE HG12 1 10 ILE H 4.500 . 4.500 4.435 4.145 4.524 0.024 7 0 "[ . 1 . 2]" 1
50 1 8 ILE MG 1 46 THR HB 6.000 . 6.500 4.863 4.231 5.379 . 0 0 "[ . 1 . 2]" 1
51 1 8 ILE MG 1 47 PRO HD2 6.000 . 6.500 3.483 2.251 4.100 . 0 0 "[ . 1 . 2]" 1
52 1 8 ILE MG 1 47 PRO HG3 6.000 . 6.500 3.750 2.360 5.021 . 0 0 "[ . 1 . 2]" 1
53 1 8 ILE MG 1 100 PRO HA 3.600 . 4.100 2.009 1.863 2.301 . 0 0 "[ . 1 . 2]" 1
54 1 8 ILE MG 1 100 PRO HG3 6.000 . 6.500 3.310 1.969 3.743 . 0 0 "[ . 1 . 2]" 1
55 1 8 ILE MG 1 101 GLU H 4.500 . 5.000 3.284 2.560 3.902 . 0 0 "[ . 1 . 2]" 1
56 1 8 ILE H 1 8 ILE MD 5.500 . 6.000 3.762 3.655 3.968 . 0 0 "[ . 1 . 2]" 1
57 1 8 ILE H 1 8 ILE HG13 5.500 . 5.500 2.618 2.393 2.813 . 0 0 "[ . 1 . 2]" 1
58 1 8 ILE H 1 8 ILE HG12 5.500 . 5.500 2.145 1.989 2.409 . 0 0 "[ . 1 . 2]" 1
59 1 8 ILE H 1 9 GLY HA2 6.000 . 6.000 4.208 4.035 4.393 . 0 0 "[ . 1 . 2]" 1
60 1 9 GLY HA2 1 43 ILE HB 4.500 . 4.500 4.261 3.404 4.542 0.042 18 0 "[ . 1 . 2]" 1
61 1 9 GLY HA2 1 43 ILE MD 6.000 . 6.500 3.986 2.872 4.925 . 0 0 "[ . 1 . 2]" 1
62 1 9 GLY HA2 1 43 ILE MG 6.000 . 6.500 4.891 4.215 5.256 . 0 0 "[ . 1 . 2]" 1
63 1 9 GLY HA2 1 46 THR HB 5.500 . 5.500 4.610 3.885 5.239 . 0 0 "[ . 1 . 2]" 1
64 1 9 GLY HA2 1 46 THR MG 6.000 . 6.500 3.397 3.170 4.544 . 0 0 "[ . 1 . 2]" 1
65 1 9 GLY HA3 1 42 VAL MG1 6.000 . 6.500 4.522 3.990 5.237 . 0 0 "[ . 1 . 2]" 1
66 1 9 GLY HA3 1 43 ILE HB 3.600 . 3.600 3.111 2.349 3.605 0.005 6 0 "[ . 1 . 2]" 1
67 1 9 GLY HA3 1 43 ILE H 4.500 . 4.500 3.956 3.392 4.509 0.009 3 0 "[ . 1 . 2]" 1
68 1 9 GLY HA3 1 46 THR HB 5.500 . 5.500 3.032 2.160 3.742 . 0 0 "[ . 1 . 2]" 1
69 1 9 GLY HA3 1 46 THR MG 3.600 . 4.100 1.951 1.766 3.376 0.034 18 0 "[ . 1 . 2]" 1
70 1 9 GLY H 1 10 ILE MG 5.500 . 6.000 3.853 2.994 4.123 . 0 0 "[ . 1 . 2]" 1
71 1 9 GLY H 1 10 ILE H 4.500 . 4.500 2.974 2.184 3.236 . 0 0 "[ . 1 . 2]" 1
72 1 10 ILE HA 1 11 ARG H 3.600 . 3.600 2.177 2.139 2.293 . 0 0 "[ . 1 . 2]" 1
73 1 10 ILE HA 1 42 VAL HA 4.500 . 4.500 2.591 2.271 2.947 . 0 0 "[ . 1 . 2]" 1
74 1 10 ILE HA 1 42 VAL MG1 4.500 . 5.000 3.489 3.006 4.001 . 0 0 "[ . 1 . 2]" 1
75 1 10 ILE HA 1 42 VAL MG2 5.500 . 6.000 3.687 3.115 4.202 . 0 0 "[ . 1 . 2]" 1
76 1 10 ILE HA 1 43 ILE MD 5.500 . 6.000 3.765 2.881 4.614 . 0 0 "[ . 1 . 2]" 1
77 1 10 ILE HA 1 43 ILE H 5.500 . 5.500 3.617 3.302 3.912 . 0 0 "[ . 1 . 2]" 1
78 1 10 ILE HB 1 11 ARG H 4.500 . 4.500 4.151 3.883 4.314 . 0 0 "[ . 1 . 2]" 1
79 1 10 ILE HB 1 42 VAL MG1 4.500 . 5.000 2.712 2.157 3.328 . 0 0 "[ . 1 . 2]" 1
80 1 10 ILE HB 1 43 ILE H 5.500 . 5.500 4.207 3.823 4.498 . 0 0 "[ . 1 . 2]" 1
81 1 10 ILE MD 1 11 ARG HA 6.000 . 6.500 4.491 3.340 5.408 . 0 0 "[ . 1 . 2]" 1
82 1 10 ILE MD 1 11 ARG H 4.500 . 5.000 2.906 1.956 4.115 . 0 0 "[ . 1 . 2]" 1
83 1 10 ILE MD 1 12 MET HA 6.000 . 6.500 4.532 3.139 5.156 . 0 0 "[ . 1 . 2]" 1
84 1 10 ILE MD 1 39 ILE HA 5.500 . 6.000 3.483 2.662 3.887 . 0 0 "[ . 1 . 2]" 1
85 1 10 ILE MD 1 40 ILE H 4.500 . 5.000 3.591 2.920 4.054 . 0 0 "[ . 1 . 2]" 1
86 1 10 ILE MG 1 11 ARG H 4.500 . 5.000 3.954 3.620 4.151 . 0 0 "[ . 1 . 2]" 1
87 1 10 ILE MG 1 42 VAL HA 5.500 . 6.000 4.802 4.419 5.027 . 0 0 "[ . 1 . 2]" 1
88 1 10 ILE MG 1 43 ILE H 6.000 . 6.500 5.348 5.059 5.454 . 0 0 "[ . 1 . 2]" 1
89 1 10 ILE MG 1 48 ALA HA 5.500 . 6.000 4.516 3.502 4.852 . 0 0 "[ . 1 . 2]" 1
90 1 10 ILE MG 1 48 ALA MB 3.600 . 4.600 2.655 1.934 3.017 . 0 0 "[ . 1 . 2]" 1
91 1 10 ILE H 1 10 ILE MG 3.600 . 4.100 2.383 2.138 2.656 . 0 0 "[ . 1 . 2]" 1
92 1 10 ILE H 2 6 TRP HA 6.000 . 6.000 4.251 3.789 4.802 . 0 0 "[ . 1 . 2]" 1
93 1 10 ILE H 2 7 VAL HA 6.000 . 6.000 5.047 4.328 5.519 . 0 0 "[ . 1 . 2]" 1
94 1 11 ARG HA 1 12 MET ME 6.000 . 6.500 4.686 4.290 5.305 . 0 0 "[ . 1 . 2]" 1
95 1 11 ARG HA 1 12 MET HG2 6.000 . 6.000 4.539 3.750 4.955 . 0 0 "[ . 1 . 2]" 1
96 1 11 ARG HA 1 12 MET HG3 6.000 . 6.000 3.560 3.333 3.928 . 0 0 "[ . 1 . 2]" 1
97 1 11 ARG HA 1 12 MET H 3.600 . 3.600 2.179 2.131 2.354 . 0 0 "[ . 1 . 2]" 1
98 1 11 ARG HA 1 40 ILE MD 6.000 . 6.500 4.021 3.532 5.480 . 0 0 "[ . 1 . 2]" 1
99 1 11 ARG HA 1 40 ILE MG 6.000 . 6.500 5.300 5.028 5.400 . 0 0 "[ . 1 . 2]" 1
100 1 11 ARG HA 2 4 ILE HA 6.000 . 6.000 5.439 5.047 5.876 . 0 0 "[ . 1 . 2]" 1
101 1 11 ARG HA 2 4 ILE MG 6.000 . 6.500 5.249 4.907 5.376 . 0 0 "[ . 1 . 2]" 1
102 1 11 ARG HA 2 6 TRP HA 4.500 . 4.500 2.225 1.960 2.637 . 0 0 "[ . 1 . 2]" 1
103 1 11 ARG HA 2 6 TRP QB 6.000 . 6.000 4.099 3.650 4.570 . 0 0 "[ . 1 . 2]" 1
104 1 11 ARG HA 2 6 TRP HD1 6.000 . 6.000 3.678 3.007 4.760 . 0 0 "[ . 1 . 2]" 1
105 1 11 ARG HA 2 7 VAL HA 6.000 . 6.000 5.927 5.615 6.024 0.024 14 0 "[ . 1 . 2]" 1
106 1 11 ARG HD2 1 40 ILE MG 4.500 . 5.000 3.927 3.756 4.052 . 0 0 "[ . 1 . 2]" 1
107 1 11 ARG HD3 1 40 ILE MG 4.500 . 5.000 2.711 2.359 3.029 . 0 0 "[ . 1 . 2]" 1
108 1 11 ARG HE 1 40 ILE MG 6.000 . 6.500 4.427 2.781 5.156 . 0 0 "[ . 1 . 2]" 1
109 1 11 ARG HE 2 4 ILE MG 6.000 . 6.500 4.484 2.861 5.280 . 0 0 "[ . 1 . 2]" 1
110 1 11 ARG H 1 40 ILE HB 5.500 . 5.500 3.769 3.184 4.136 . 0 0 "[ . 1 . 2]" 1
111 1 11 ARG H 1 40 ILE MG 5.500 . 6.000 4.746 4.364 4.928 . 0 0 "[ . 1 . 2]" 1
112 1 11 ARG H 1 41 GLU H 6.000 . 6.000 3.135 2.678 4.385 . 0 0 "[ . 1 . 2]" 1
113 1 11 ARG H 1 42 VAL HA 5.500 . 5.500 3.746 3.314 4.132 . 0 0 "[ . 1 . 2]" 1
114 1 11 ARG H 1 43 ILE H 6.000 . 6.000 5.319 4.890 5.718 . 0 0 "[ . 1 . 2]" 1
115 1 12 MET HA 1 13 MET H 3.600 . 3.600 2.227 2.153 2.337 . 0 0 "[ . 1 . 2]" 1
116 1 12 MET HA 1 39 ILE HA 4.500 . 4.500 2.937 2.654 3.348 . 0 0 "[ . 1 . 2]" 1
117 1 12 MET HA 1 39 ILE MG 6.000 . 6.500 4.360 4.084 4.766 . 0 0 "[ . 1 . 2]" 1
118 1 12 MET HA 1 40 ILE MD 4.500 . 5.000 2.421 1.944 3.161 . 0 0 "[ . 1 . 2]" 1
119 1 12 MET HA 1 40 ILE HG13 5.500 . 5.500 3.366 2.195 4.001 . 0 0 "[ . 1 . 2]" 1
120 1 12 MET HA 1 40 ILE HG12 5.500 . 5.500 4.160 2.002 4.960 . 0 0 "[ . 1 . 2]" 1
121 1 12 MET HA 1 40 ILE H 4.500 . 4.500 2.759 2.535 2.991 . 0 0 "[ . 1 . 2]" 1
122 1 12 MET HA 1 70 ALA MB 6.000 . 6.500 4.473 4.278 4.801 . 0 0 "[ . 1 . 2]" 1
123 1 12 MET ME 1 13 MET HA 6.000 . 6.500 4.938 4.409 5.375 . 0 0 "[ . 1 . 2]" 1
124 1 12 MET ME 1 70 ALA HA 5.500 . 6.000 3.363 2.938 3.515 . 0 0 "[ . 1 . 2]" 1
125 1 12 MET ME 1 70 ALA MB 3.600 . 4.600 2.372 1.939 2.656 . 0 0 "[ . 1 . 2]" 1
126 1 12 MET ME 1 70 ALA H 6.000 . 6.500 5.180 4.749 5.372 . 0 0 "[ . 1 . 2]" 1
127 1 12 MET ME 1 73 VAL HA 6.000 . 6.500 4.913 4.672 5.145 . 0 0 "[ . 1 . 2]" 1
128 1 12 MET ME 1 73 VAL H 5.500 . 6.000 4.223 3.927 4.549 . 0 0 "[ . 1 . 2]" 1
129 1 12 MET ME 1 74 SER HB2 3.600 . 4.100 2.190 1.843 2.492 . 0 0 "[ . 1 . 2]" 1
130 1 12 MET ME 1 74 SER HB3 5.500 . 6.000 3.579 3.095 3.878 . 0 0 "[ . 1 . 2]" 1
131 1 12 MET ME 1 74 SER H 4.500 . 5.000 2.697 2.302 2.964 . 0 0 "[ . 1 . 2]" 1
132 1 12 MET ME 1 75 ASP H 6.000 . 6.500 4.785 4.504 4.971 . 0 0 "[ . 1 . 2]" 1
133 1 12 MET ME 1 77 ILE MD 3.600 . 4.600 2.791 2.452 2.997 . 0 0 "[ . 1 . 2]" 1
134 1 12 MET ME 2 5 TRP HA 4.500 . 5.000 3.983 3.914 4.064 . 0 0 "[ . 1 . 2]" 1
135 1 12 MET ME 2 5 TRP HB2 4.500 . 5.000 2.061 1.875 2.276 . 0 0 "[ . 1 . 2]" 1
136 1 12 MET ME 2 5 TRP HB3 3.600 . 4.100 1.956 1.842 2.201 . 0 0 "[ . 1 . 2]" 1
137 1 12 MET ME 2 5 TRP HE3 4.500 . 5.000 2.310 2.042 2.801 . 0 0 "[ . 1 . 2]" 1
138 1 12 MET ME 2 5 TRP HZ3 5.500 . 6.000 4.055 3.788 4.426 . 0 0 "[ . 1 . 2]" 1
139 1 12 MET ME 2 7 VAL HB 3.600 . 4.100 2.662 2.258 3.372 . 0 0 "[ . 1 . 2]" 1
140 1 12 MET ME 2 7 VAL QG 3.600 . 4.600 1.815 1.664 1.952 0.136 7 0 "[ . 1 . 2]" 1
141 1 12 MET ME 1 12 MET HG2 3.600 . 4.100 2.755 2.612 3.155 . 0 0 "[ . 1 . 2]" 1
142 1 12 MET ME 1 12 MET HG3 3.600 . 4.100 2.192 2.125 2.262 . 0 0 "[ . 1 . 2]" 1
143 1 12 MET QG 2 5 TRP HB2 5.500 . 5.500 2.576 2.148 3.038 . 0 0 "[ . 1 . 2]" 1
144 1 12 MET H 1 40 ILE MD 5.500 . 6.000 3.300 2.760 4.571 . 0 0 "[ . 1 . 2]" 1
145 1 12 MET H 1 40 ILE H 6.000 . 6.000 4.705 4.524 4.969 . 0 0 "[ . 1 . 2]" 1
146 1 12 MET H 2 4 ILE HA 5.500 . 5.500 4.210 3.854 4.575 . 0 0 "[ . 1 . 2]" 1
147 1 12 MET H 2 4 ILE MG 6.000 . 6.500 4.862 4.338 5.188 . 0 0 "[ . 1 . 2]" 1
148 1 12 MET H 2 5 TRP HB3 5.500 . 5.500 4.183 3.767 4.680 . 0 0 "[ . 1 . 2]" 1
149 1 12 MET H 2 5 TRP H 5.500 . 5.500 2.586 1.987 3.398 . 0 0 "[ . 1 . 2]" 1
150 1 12 MET H 2 6 TRP HA 5.500 . 5.500 3.774 3.484 4.032 . 0 0 "[ . 1 . 2]" 1
151 1 13 MET HA 1 14 SER H 3.600 . 3.600 2.460 2.331 2.625 . 0 0 "[ . 1 . 2]" 1
152 1 13 MET HA 1 37 ALA MB 6.000 . 6.500 4.816 4.201 5.279 . 0 0 "[ . 1 . 2]" 1
153 1 13 MET HA 1 70 ALA MB 4.500 . 5.000 2.452 2.083 2.742 . 0 0 "[ . 1 . 2]" 1
154 1 13 MET HA 2 4 ILE HA 4.500 . 4.500 3.141 2.756 3.854 . 0 0 "[ . 1 . 2]" 1
155 1 13 MET HA 2 5 TRP HD1 4.500 . 4.500 3.220 2.544 3.926 . 0 0 "[ . 1 . 2]" 1
156 1 13 MET ME 1 15 LEU HA 5.500 . 6.000 4.645 3.920 4.985 . 0 0 "[ . 1 . 2]" 1
157 1 13 MET ME 1 15 LEU MD1 5.500 . 6.500 4.271 4.075 4.491 . 0 0 "[ . 1 . 2]" 1
158 1 13 MET ME 1 16 THR MG 5.500 . 6.500 4.228 3.436 4.347 . 0 0 "[ . 1 . 2]" 1
159 1 13 MET ME 1 40 ILE MD 4.500 . 5.500 3.215 2.865 3.563 . 0 0 "[ . 1 . 2]" 1
160 1 13 MET ME 2 2 SER HA 3.600 . 4.100 1.952 1.831 2.873 . 0 0 "[ . 1 . 2]" 1
161 1 13 MET ME 2 2 SER QB 5.500 . 6.000 2.453 1.789 3.603 0.011 8 0 "[ . 1 . 2]" 1
162 1 13 MET ME 2 4 ILE MG 3.600 . 4.600 2.855 2.697 2.987 . 0 0 "[ . 1 . 2]" 1
163 1 13 MET ME 1 13 MET HG3 3.600 . 4.100 2.756 2.358 3.385 . 0 0 "[ . 1 . 2]" 1
164 1 13 MET HG3 1 14 SER H 5.500 . 5.500 3.777 3.418 4.129 . 0 0 "[ . 1 . 2]" 1
165 1 13 MET HG3 1 40 ILE MD 4.500 . 5.000 3.715 3.018 3.990 . 0 0 "[ . 1 . 2]" 1
166 1 13 MET HG3 2 4 ILE HA 6.000 . 6.000 5.379 5.077 5.840 . 0 0 "[ . 1 . 2]" 1
167 1 13 MET ME 1 13 MET HG2 3.600 . 4.100 3.185 2.380 3.397 . 0 0 "[ . 1 . 2]" 1
168 1 13 MET HG2 1 14 SER H 5.500 . 5.500 4.521 4.047 4.787 . 0 0 "[ . 1 . 2]" 1
169 1 13 MET HG2 1 37 ALA MB 6.000 . 6.500 5.153 4.862 5.292 . 0 0 "[ . 1 . 2]" 1
170 1 13 MET HG2 1 40 ILE MD 4.500 . 5.000 2.579 1.875 3.000 . 0 0 "[ . 1 . 2]" 1
171 1 13 MET HG2 2 2 SER HA 6.000 . 6.000 5.663 4.483 6.033 0.033 10 0 "[ . 1 . 2]" 1
172 1 13 MET HG2 2 4 ILE HA 6.000 . 6.000 4.669 4.108 5.189 . 0 0 "[ . 1 . 2]" 1
173 1 13 MET H 1 13 MET HG3 4.500 . 4.500 3.077 2.202 3.585 . 0 0 "[ . 1 . 2]" 1
174 1 13 MET H 1 13 MET HG2 4.500 . 4.500 2.158 1.917 2.912 . 0 0 "[ . 1 . 2]" 1
175 1 13 MET H 1 37 ALA HA 6.000 . 6.000 4.598 3.852 4.993 . 0 0 "[ . 1 . 2]" 1
176 1 13 MET H 1 37 ALA MB 5.500 . 6.000 3.704 2.853 4.170 . 0 0 "[ . 1 . 2]" 1
177 1 13 MET H 1 38 TYR HA 6.000 . 6.000 4.761 4.574 5.029 . 0 0 "[ . 1 . 2]" 1
178 1 13 MET H 1 38 TYR H 4.500 . 4.500 2.939 2.519 3.378 . 0 0 "[ . 1 . 2]" 1
179 1 13 MET H 1 39 ILE HA 5.500 . 5.500 4.231 3.965 4.460 . 0 0 "[ . 1 . 2]" 1
180 1 13 MET H 1 40 ILE MD 4.500 . 5.000 2.738 2.102 3.284 . 0 0 "[ . 1 . 2]" 1
181 1 13 MET H 1 40 ILE H 5.500 . 5.500 4.278 3.940 4.547 . 0 0 "[ . 1 . 2]" 1
182 1 13 MET H 1 70 ALA MB 5.500 . 6.000 3.605 3.402 3.964 . 0 0 "[ . 1 . 2]" 1
183 1 14 SER HA 1 15 LEU H 3.600 . 3.600 2.264 2.135 3.176 . 0 0 "[ . 1 . 2]" 1
184 1 14 SER HA 1 37 ALA HA 3.600 . 3.600 3.033 2.643 3.367 . 0 0 "[ . 1 . 2]" 1
185 1 14 SER HA 1 37 ALA MB 4.500 . 5.000 3.641 2.916 4.030 . 0 0 "[ . 1 . 2]" 1
186 1 14 SER HA 1 38 TYR HB2 6.000 . 6.000 5.835 5.228 6.018 0.018 6 0 "[ . 1 . 2]" 1
187 1 14 SER HA 1 38 TYR H 5.500 . 5.500 3.881 3.450 4.102 . 0 0 "[ . 1 . 2]" 1
188 1 14 SER HA 1 70 ALA HA 6.000 . 6.000 4.434 4.212 4.672 . 0 0 "[ . 1 . 2]" 1
189 1 14 SER HA 1 70 ALA MB 4.500 . 5.000 3.235 2.981 3.737 . 0 0 "[ . 1 . 2]" 1
190 1 14 SER HA 1 70 ALA H 4.500 . 4.500 2.287 1.984 2.902 . 0 0 "[ . 1 . 2]" 1
191 1 14 SER HB3 1 70 ALA MB 5.500 . 6.000 2.750 2.437 3.492 . 0 0 "[ . 1 . 2]" 1
192 1 14 SER HB3 1 70 ALA H 4.500 . 4.500 2.090 1.982 2.417 . 0 0 "[ . 1 . 2]" 1
193 1 14 SER H 1 40 ILE MD 6.000 . 6.500 5.187 5.006 5.320 . 0 0 "[ . 1 . 2]" 1
194 1 14 SER H 1 70 ALA MB 4.500 . 5.000 2.968 2.537 3.458 . 0 0 "[ . 1 . 2]" 1
195 1 14 SER H 1 70 ALA H 5.500 . 5.500 3.758 3.433 4.194 . 0 0 "[ . 1 . 2]" 1
196 1 14 SER H 2 5 TRP HD1 6.000 . 6.000 4.655 3.729 5.620 . 0 0 "[ . 1 . 2]" 1
197 1 15 LEU HA 1 15 LEU MD1 3.600 . 4.100 1.964 1.868 2.144 . 0 0 "[ . 1 . 2]" 1
198 1 15 LEU HA 1 38 TYR HB2 5.500 . 5.500 3.949 3.491 4.331 . 0 0 "[ . 1 . 2]" 1
199 1 15 LEU HB2 1 35 SER HA 6.000 . 6.000 5.341 4.770 5.966 . 0 0 "[ . 1 . 2]" 1
200 1 15 LEU HB2 1 38 TYR HB2 6.000 . 6.000 3.318 2.700 3.927 . 0 0 "[ . 1 . 2]" 1
201 1 15 LEU HB2 1 38 TYR H 5.500 . 5.500 3.651 3.253 4.112 . 0 0 "[ . 1 . 2]" 1
202 1 15 LEU HB3 1 35 SER HA 5.500 . 5.500 4.198 3.697 4.531 . 0 0 "[ . 1 . 2]" 1
203 1 15 LEU HB3 1 38 TYR HB2 6.000 . 6.000 4.839 4.326 5.334 . 0 0 "[ . 1 . 2]" 1
204 1 15 LEU MD1 1 19 LYS HA 6.000 . 6.500 4.670 4.071 5.178 . 0 0 "[ . 1 . 2]" 1
205 1 15 LEU MD1 1 19 LYS H 6.000 . 6.500 4.792 4.289 5.245 . 0 0 "[ . 1 . 2]" 1
206 1 15 LEU MD1 1 23 LEU MD1 3.600 . 4.600 2.239 1.728 2.684 0.072 6 0 "[ . 1 . 2]" 1
207 1 15 LEU MD1 1 38 TYR HB2 3.600 . 4.100 1.869 1.797 2.144 0.003 12 0 "[ . 1 . 2]" 1
208 1 15 LEU MD1 1 38 TYR H 4.500 . 5.000 3.645 3.079 3.962 . 0 0 "[ . 1 . 2]" 1
209 1 15 LEU MD2 1 20 ALA HA 4.500 . 5.000 2.714 1.962 3.154 . 0 0 "[ . 1 . 2]" 1
210 1 15 LEU MD2 1 20 ALA MB 3.600 . 4.600 2.612 2.129 2.906 . 0 0 "[ . 1 . 2]" 1
211 1 15 LEU MD2 1 23 LEU MD1 4.500 . 5.500 2.622 1.840 3.432 . 0 0 "[ . 1 . 2]" 1
212 1 15 LEU MD2 1 34 ILE HA 5.500 . 6.000 3.759 2.932 4.634 . 0 0 "[ . 1 . 2]" 1
213 1 15 LEU MD2 1 35 SER HA 5.500 . 6.000 4.633 4.152 4.852 . 0 0 "[ . 1 . 2]" 1
214 1 15 LEU MD2 1 38 TYR HB2 5.500 . 6.000 3.185 2.769 3.672 . 0 0 "[ . 1 . 2]" 1
215 1 15 LEU H 1 15 LEU HB2 3.600 . 3.600 2.205 2.084 2.953 . 0 0 "[ . 1 . 2]" 1
216 1 15 LEU H 1 15 LEU MD1 4.500 . 5.000 3.330 3.180 3.490 . 0 0 "[ . 1 . 2]" 1
217 1 15 LEU H 1 36 GLY H 5.500 . 5.500 4.965 4.525 5.517 0.017 3 0 "[ . 1 . 2]" 1
218 1 15 LEU H 1 37 ALA HA 4.500 . 4.500 2.817 2.096 4.376 . 0 0 "[ . 1 . 2]" 1
219 1 15 LEU H 1 38 TYR HB2 6.000 . 6.000 4.307 3.791 4.763 . 0 0 "[ . 1 . 2]" 1
220 1 15 LEU H 1 38 TYR H 5.500 . 5.500 3.330 3.015 3.742 . 0 0 "[ . 1 . 2]" 1
221 1 15 LEU H 1 70 ALA MB 6.000 . 6.500 4.855 4.612 5.141 . 0 0 "[ . 1 . 2]" 1
222 1 15 LEU H 1 70 ALA H 6.000 . 6.000 4.362 3.907 5.289 . 0 0 "[ . 1 . 2]" 1
223 1 16 THR MG 1 17 SER H 6.000 . 6.500 3.610 3.290 3.809 . 0 0 "[ . 1 . 2]" 1
224 1 16 THR MG 1 19 LYS HA 5.500 . 6.000 4.008 3.700 4.383 . 0 0 "[ . 1 . 2]" 1
225 1 16 THR MG 1 20 ALA MB 6.000 . 7.000 4.300 4.021 4.565 . 0 0 "[ . 1 . 2]" 1
226 1 17 SER HA 1 20 ALA MB 3.600 . 4.100 2.607 2.019 3.034 . 0 0 "[ . 1 . 2]" 1
227 1 17 SER HA 1 20 ALA H 4.500 . 4.500 3.659 3.289 4.144 . 0 0 "[ . 1 . 2]" 1
228 1 17 SER HA 1 21 LYS H 5.500 . 5.500 3.640 2.823 4.238 . 0 0 "[ . 1 . 2]" 1
229 1 18 SER H 1 19 LYS H 4.500 . 4.500 2.584 2.320 2.871 . 0 0 "[ . 1 . 2]" 1
230 1 19 LYS HA 1 22 GLU QG 5.500 . 5.500 4.005 3.395 4.530 . 0 0 "[ . 1 . 2]" 1
231 1 19 LYS HA 1 22 GLU H 4.500 . 4.500 3.305 3.053 3.633 . 0 0 "[ . 1 . 2]" 1
232 1 19 LYS HA 1 23 LEU MD2 6.000 . 6.500 4.974 4.509 5.221 . 0 0 "[ . 1 . 2]" 1
233 1 19 LYS HA 1 23 LEU H 6.000 . 6.000 4.054 3.471 4.423 . 0 0 "[ . 1 . 2]" 1
234 1 19 LYS H 1 20 ALA MB 6.000 . 6.500 4.052 3.756 4.405 . 0 0 "[ . 1 . 2]" 1
235 1 19 LYS H 1 20 ALA H 3.600 . 3.600 2.418 2.167 2.836 . 0 0 "[ . 1 . 2]" 1
236 1 20 ALA HA 1 23 LEU MD1 4.500 . 5.000 2.478 1.950 3.231 . 0 0 "[ . 1 . 2]" 1
237 1 20 ALA HA 1 23 LEU HG 4.500 . 4.500 3.942 3.339 4.327 . 0 0 "[ . 1 . 2]" 1
238 1 20 ALA HA 1 34 ILE HA 6.000 . 6.000 4.972 4.345 5.756 . 0 0 "[ . 1 . 2]" 1
239 1 20 ALA MB 1 21 LYS H 3.600 . 4.100 2.526 2.133 2.787 . 0 0 "[ . 1 . 2]" 1
240 1 20 ALA MB 1 22 GLU H 5.500 . 6.000 4.363 4.154 4.535 . 0 0 "[ . 1 . 2]" 1
241 1 20 ALA MB 1 23 LEU MD1 5.500 . 6.500 3.790 3.282 4.394 . 0 0 "[ . 1 . 2]" 1
242 1 20 ALA MB 1 34 ILE HA 3.600 . 4.100 2.832 2.287 3.268 . 0 0 "[ . 1 . 2]" 1
243 1 20 ALA MB 1 35 SER HA 6.000 . 6.500 5.041 4.263 5.437 . 0 0 "[ . 1 . 2]" 1
244 1 20 ALA H 1 21 LYS H 4.500 . 4.500 2.776 2.650 2.938 . 0 0 "[ . 1 . 2]" 1
245 1 20 ALA H 1 22 GLU H 6.000 . 6.000 3.957 3.836 4.067 . 0 0 "[ . 1 . 2]" 1
246 1 21 LYS HA 1 24 LYS H 4.500 . 4.500 3.484 3.201 3.802 . 0 0 "[ . 1 . 2]" 1
247 1 21 LYS H 1 22 GLU H 4.500 . 4.500 2.448 2.257 2.685 . 0 0 "[ . 1 . 2]" 1
248 1 22 GLU HA 1 25 ASP HB2 4.500 . 4.500 2.770 2.395 3.317 . 0 0 "[ . 1 . 2]" 1
249 1 22 GLU HA 1 25 ASP HB3 4.500 . 4.500 3.762 2.644 4.452 . 0 0 "[ . 1 . 2]" 1
250 1 22 GLU HA 1 25 ASP H 5.500 . 5.500 3.473 3.153 3.786 . 0 0 "[ . 1 . 2]" 1
251 1 22 GLU H 1 23 LEU HG 4.500 . 4.500 4.406 4.192 4.504 0.004 11 0 "[ . 1 . 2]" 1
252 1 22 GLU H 1 23 LEU H 4.500 . 4.500 2.608 2.440 2.788 . 0 0 "[ . 1 . 2]" 1
253 1 23 LEU HA 1 23 LEU MD2 3.600 . 4.100 2.270 1.967 2.617 . 0 0 "[ . 1 . 2]" 1
254 1 23 LEU HA 1 26 ARG H 5.500 . 5.500 3.595 3.116 3.893 . 0 0 "[ . 1 . 2]" 1
255 1 23 LEU HA 1 27 HIS H 5.500 . 5.500 3.686 3.236 4.299 . 0 0 "[ . 1 . 2]" 1
256 1 23 LEU HB2 1 24 LYS H 4.500 . 4.500 2.629 2.292 2.859 . 0 0 "[ . 1 . 2]" 1
257 1 23 LEU HB3 1 24 LYS H 4.500 . 4.500 3.607 3.323 3.904 . 0 0 "[ . 1 . 2]" 1
258 1 23 LEU MD1 1 24 LYS H 5.500 . 6.000 4.330 3.876 4.635 . 0 0 "[ . 1 . 2]" 1
259 1 23 LEU MD2 1 24 LYS H 5.500 . 6.000 4.762 4.643 4.901 . 0 0 "[ . 1 . 2]" 1
260 1 23 LEU H 1 23 LEU HB2 3.600 . 3.600 2.451 2.356 2.622 . 0 0 "[ . 1 . 2]" 1
261 1 23 LEU H 1 23 LEU MD1 4.500 . 5.000 3.355 2.994 3.680 . 0 0 "[ . 1 . 2]" 1
262 1 23 LEU H 1 23 LEU HG 4.500 . 4.500 2.354 2.040 2.611 . 0 0 "[ . 1 . 2]" 1
263 1 23 LEU H 1 24 LYS HA 6.000 . 6.000 5.254 5.086 5.360 . 0 0 "[ . 1 . 2]" 1
264 1 24 LYS HA 1 27 HIS H 4.500 . 4.500 3.814 3.118 4.363 . 0 0 "[ . 1 . 2]" 1
265 1 24 LYS HA 1 30 PHE HB2 4.500 . 4.500 3.122 2.401 3.676 . 0 0 "[ . 1 . 2]" 1
266 1 24 LYS HA 1 30 PHE HB3 5.500 . 5.500 4.558 3.661 5.265 . 0 0 "[ . 1 . 2]" 1
267 1 24 LYS HA 1 30 PHE H 4.500 . 4.500 4.043 3.644 4.429 . 0 0 "[ . 1 . 2]" 1
268 1 24 LYS H 1 25 ASP H 3.600 . 3.600 2.574 2.328 2.753 . 0 0 "[ . 1 . 2]" 1
269 1 24 LYS H 1 30 PHE HB2 5.500 . 5.500 4.896 4.213 5.449 . 0 0 "[ . 1 . 2]" 1
270 1 25 ASP HB2 1 26 ARG H 4.500 . 4.500 3.228 2.818 3.870 . 0 0 "[ . 1 . 2]" 1
271 1 25 ASP HB3 1 26 ARG H 4.500 . 4.500 2.999 2.203 3.753 . 0 0 "[ . 1 . 2]" 1
272 1 25 ASP H 1 25 ASP HB2 3.600 . 3.600 2.178 2.065 2.396 . 0 0 "[ . 1 . 2]" 1
273 1 25 ASP H 1 26 ARG H 4.500 . 4.500 2.601 2.268 2.911 . 0 0 "[ . 1 . 2]" 1
274 1 25 ASP H 1 27 HIS H 5.500 . 5.500 4.208 3.750 4.710 . 0 0 "[ . 1 . 2]" 1
275 1 26 ARG H 1 27 HIS H 3.600 . 3.600 2.547 2.219 2.805 . 0 0 "[ . 1 . 2]" 1
276 1 27 HIS HA 1 28 ARG H 3.600 . 3.600 2.751 2.139 3.572 . 0 0 "[ . 1 . 2]" 1
277 1 27 HIS HA 1 29 ASP H 4.500 . 4.500 3.936 3.222 4.297 . 0 0 "[ . 1 . 2]" 1
278 1 27 HIS HA 1 30 PHE H 6.000 . 6.000 5.475 4.545 6.054 0.054 15 0 "[ . 1 . 2]" 1
279 1 27 HIS H 1 27 HIS HD2 4.500 . 4.500 4.025 3.244 4.447 . 0 0 "[ . 1 . 2]" 1
280 1 27 HIS H 1 28 ARG H 4.500 . 4.500 3.432 2.343 4.254 . 0 0 "[ . 1 . 2]" 1
281 1 28 ARG HA 1 29 ASP H 3.600 . 3.600 3.114 2.474 3.574 . 0 0 "[ . 1 . 2]" 1
282 1 28 ARG HA 1 30 PHE H 4.500 . 4.500 3.643 3.365 4.043 . 0 0 "[ . 1 . 2]" 1
283 1 29 ASP HA 1 30 PHE H 3.600 . 3.600 3.262 2.845 3.490 . 0 0 "[ . 1 . 2]" 1
284 1 29 ASP H 1 30 PHE HB2 6.000 . 6.000 4.260 3.468 5.035 . 0 0 "[ . 1 . 2]" 1
285 1 29 ASP H 1 30 PHE H 3.600 . 3.600 2.406 1.829 3.281 . 0 0 "[ . 1 . 2]" 1
286 1 30 PHE HA 1 31 PRO HG3 5.500 . 5.500 4.383 4.100 4.691 . 0 0 "[ . 1 . 2]" 1
287 1 30 PHE HA 1 31 PRO HG2 5.500 . 5.500 4.556 4.254 4.764 . 0 0 "[ . 1 . 2]" 1
288 1 30 PHE H 1 30 PHE HB2 3.600 . 3.600 2.290 2.204 2.533 . 0 0 "[ . 1 . 2]" 1
289 1 31 PRO HA 1 32 ASP HA 5.500 . 5.500 4.515 4.313 5.292 . 0 0 "[ . 1 . 2]" 1
290 1 31 PRO HA 1 32 ASP H 3.600 . 3.600 2.694 2.387 3.493 . 0 0 "[ . 1 . 2]" 1
291 1 31 PRO HB2 1 32 ASP H 3.600 . 3.600 2.588 1.998 3.223 . 0 0 "[ . 1 . 2]" 1
292 1 31 PRO HB2 1 33 VAL MG1 3.600 . 4.100 2.916 2.183 3.295 . 0 0 "[ . 1 . 2]" 1
293 1 31 PRO HB2 1 33 VAL MG2 3.600 . 4.100 2.142 1.887 3.059 . 0 0 "[ . 1 . 2]" 1
294 1 31 PRO HB3 1 32 ASP H 4.500 . 4.500 3.156 2.399 4.236 . 0 0 "[ . 1 . 2]" 1
295 1 32 ASP HA 1 33 VAL H 3.600 . 3.600 2.926 2.500 3.453 . 0 0 "[ . 1 . 2]" 1
296 1 32 ASP HA 1 34 ILE MG 5.500 . 6.000 4.652 3.720 4.948 . 0 0 "[ . 1 . 2]" 1
297 1 32 ASP H 1 33 VAL MG2 4.500 . 5.000 3.734 3.399 4.017 . 0 0 "[ . 1 . 2]" 1
298 1 32 ASP H 1 33 VAL H 3.600 . 3.600 2.743 2.175 3.598 . 0 0 "[ . 1 . 2]" 1
299 1 33 VAL HA 1 34 ILE H 3.600 . 3.600 2.338 2.139 3.448 . 0 0 "[ . 1 . 2]" 1
300 1 33 VAL HB 1 34 ILE H 4.500 . 4.500 3.203 1.999 4.099 . 0 0 "[ . 1 . 2]" 1
301 1 33 VAL HB 1 35 SER H 4.500 . 4.500 3.354 2.407 4.459 . 0 0 "[ . 1 . 2]" 1
302 1 33 VAL H 1 33 VAL MG2 4.500 . 5.000 2.010 1.906 2.199 . 0 0 "[ . 1 . 2]" 1
303 1 34 ILE MD 1 35 SER HA 6.000 . 6.500 3.757 2.674 4.941 . 0 0 "[ . 1 . 2]" 1
304 1 34 ILE MD 1 35 SER H 3.600 . 4.100 2.822 1.973 3.372 . 0 0 "[ . 1 . 2]" 1
305 1 34 ILE H 1 34 ILE MD 4.500 . 5.000 3.013 1.865 4.094 . 0 0 "[ . 1 . 2]" 1
306 1 34 ILE H 1 34 ILE MG 4.500 . 5.000 2.744 2.010 3.417 . 0 0 "[ . 1 . 2]" 1
307 1 34 ILE H 1 35 SER H 3.600 . 3.600 2.311 1.892 3.390 . 0 0 "[ . 1 . 2]" 1
308 1 35 SER HA 1 36 GLY H 3.600 . 3.600 2.298 2.159 2.615 . 0 0 "[ . 1 . 2]" 1
309 1 35 SER HA 1 68 VAL HA 6.000 . 6.000 3.968 3.257 4.831 . 0 0 "[ . 1 . 2]" 1
310 1 35 SER HA 1 68 VAL MG1 6.000 . 6.500 4.416 3.841 5.099 . 0 0 "[ . 1 . 2]" 1
311 1 35 SER QB 1 68 VAL HA 5.500 . 5.500 2.613 2.085 3.312 . 0 0 "[ . 1 . 2]" 1
312 1 35 SER QB 1 68 VAL HB 5.500 . 5.500 3.079 2.149 4.034 . 0 0 "[ . 1 . 2]" 1
313 1 35 SER HB2 1 68 VAL MG1 3.600 . 4.100 2.780 2.051 3.204 . 0 0 "[ . 1 . 2]" 1
314 1 35 SER HB3 1 68 VAL MG1 3.600 . 4.100 2.906 2.294 3.259 . 0 0 "[ . 1 . 2]" 1
315 1 36 GLY HA2 1 37 ALA HA 6.000 . 6.000 4.372 4.335 4.511 . 0 0 "[ . 1 . 2]" 1
316 1 36 GLY HA2 1 58 VAL MG1 4.500 . 5.000 3.919 3.639 4.194 . 0 0 "[ . 1 . 2]" 1
317 1 36 GLY HA2 1 60 ILE HA 5.500 . 5.500 3.116 2.482 3.862 . 0 0 "[ . 1 . 2]" 1
318 1 36 GLY HA2 1 60 ILE MG 4.500 . 5.000 3.534 3.043 3.962 . 0 0 "[ . 1 . 2]" 1
319 1 36 GLY HA2 1 67 VAL HB 6.000 . 6.000 3.667 3.000 4.428 . 0 0 "[ . 1 . 2]" 1
320 1 36 GLY HA2 1 67 VAL MG1 5.500 . 6.000 3.367 2.417 4.028 . 0 0 "[ . 1 . 2]" 1
321 1 36 GLY HA2 1 68 VAL HA 4.500 . 4.500 2.833 2.171 3.310 . 0 0 "[ . 1 . 2]" 1
322 1 36 GLY HA2 1 68 VAL MG1 6.000 . 6.500 4.512 3.833 4.932 . 0 0 "[ . 1 . 2]" 1
323 1 36 GLY HA3 1 37 ALA HA 6.000 . 6.000 4.502 4.368 4.586 . 0 0 "[ . 1 . 2]" 1
324 1 36 GLY HA3 1 58 VAL MG1 3.600 . 4.100 2.684 2.386 3.158 . 0 0 "[ . 1 . 2]" 1
325 1 36 GLY HA3 1 59 ILE H 6.000 . 6.000 4.906 4.429 5.606 . 0 0 "[ . 1 . 2]" 1
326 1 36 GLY HA3 1 60 ILE HA 6.000 . 6.000 3.408 2.835 4.402 . 0 0 "[ . 1 . 2]" 1
327 1 36 GLY HA3 1 60 ILE MG 4.500 . 5.000 2.798 2.041 3.646 . 0 0 "[ . 1 . 2]" 1
328 1 36 GLY H 1 68 VAL HA 4.500 . 4.500 2.522 1.996 3.832 . 0 0 "[ . 1 . 2]" 1
329 1 37 ALA HA 1 38 TYR HB2 6.000 . 6.000 4.500 4.367 4.568 . 0 0 "[ . 1 . 2]" 1
330 1 37 ALA HA 1 38 TYR H 3.600 . 3.600 2.248 2.141 2.483 . 0 0 "[ . 1 . 2]" 1
331 1 37 ALA HA 1 58 VAL MG1 5.500 . 6.000 3.848 3.587 4.159 . 0 0 "[ . 1 . 2]" 1
332 1 37 ALA HA 1 59 ILE HB 6.000 . 6.000 4.904 4.667 5.293 . 0 0 "[ . 1 . 2]" 1
333 1 37 ALA HA 1 59 ILE MD 6.000 . 6.500 4.424 3.940 5.117 . 0 0 "[ . 1 . 2]" 1
334 1 37 ALA HA 1 70 ALA HA 6.000 . 6.000 4.520 4.148 4.949 . 0 0 "[ . 1 . 2]" 1
335 1 37 ALA HA 1 70 ALA MB 6.000 . 6.500 4.310 3.961 4.646 . 0 0 "[ . 1 . 2]" 1
336 1 37 ALA HA 1 73 VAL MG2 6.000 . 6.500 4.214 3.721 4.755 . 0 0 "[ . 1 . 2]" 1
337 1 37 ALA MB 1 59 ILE HB 3.600 . 4.100 2.378 1.959 3.025 . 0 0 "[ . 1 . 2]" 1
338 1 37 ALA MB 1 59 ILE MD 3.600 . 4.600 2.135 1.865 2.747 . 0 0 "[ . 1 . 2]" 1
339 1 37 ALA MB 1 59 ILE H 4.500 . 5.000 3.326 3.068 3.654 . 0 0 "[ . 1 . 2]" 1
340 1 37 ALA MB 1 70 ALA HA 3.600 . 4.100 2.635 2.378 3.050 . 0 0 "[ . 1 . 2]" 1
341 1 37 ALA MB 1 70 ALA H 5.500 . 6.000 3.455 2.650 4.236 . 0 0 "[ . 1 . 2]" 1
342 1 37 ALA MB 1 73 VAL HB 5.500 . 6.000 3.681 3.423 4.021 . 0 0 "[ . 1 . 2]" 1
343 1 37 ALA MB 1 73 VAL MG2 3.600 . 4.600 1.956 1.746 2.263 0.054 3 0 "[ . 1 . 2]" 1
344 1 37 ALA MB 1 73 VAL H 5.500 . 6.000 4.165 3.882 4.429 . 0 0 "[ . 1 . 2]" 1
345 1 37 ALA H 1 58 VAL MG1 3.600 . 4.100 2.960 2.212 3.332 . 0 0 "[ . 1 . 2]" 1
346 1 37 ALA H 1 59 ILE HB 4.500 . 4.500 2.949 2.649 3.499 . 0 0 "[ . 1 . 2]" 1
347 1 37 ALA H 1 59 ILE H 5.500 . 5.500 3.340 2.998 3.683 . 0 0 "[ . 1 . 2]" 1
348 1 37 ALA H 1 67 VAL MG1 4.500 . 5.000 3.457 2.831 3.866 . 0 0 "[ . 1 . 2]" 1
349 1 37 ALA H 1 68 VAL HA 5.500 . 5.500 5.077 4.712 5.469 . 0 0 "[ . 1 . 2]" 1
350 1 38 TYR HA 1 39 ILE MD 6.000 . 6.500 4.734 4.207 5.041 . 0 0 "[ . 1 . 2]" 1
351 1 38 TYR HA 1 39 ILE H 3.600 . 3.600 2.166 2.150 2.195 . 0 0 "[ . 1 . 2]" 1
352 1 38 TYR HA 1 58 VAL MG1 5.500 . 6.000 2.904 2.462 3.248 . 0 0 "[ . 1 . 2]" 1
353 1 38 TYR HA 1 58 VAL MG2 5.500 . 6.000 2.761 2.493 3.016 . 0 0 "[ . 1 . 2]" 1
354 1 38 TYR HB2 1 58 VAL MG1 6.000 . 6.500 3.545 3.003 4.003 . 0 0 "[ . 1 . 2]" 1
355 1 38 TYR HB2 1 58 VAL MG2 5.500 . 6.000 3.379 3.075 3.687 . 0 0 "[ . 1 . 2]" 1
356 1 38 TYR H 1 38 TYR HB2 3.600 . 3.600 2.902 2.759 3.118 . 0 0 "[ . 1 . 2]" 1
357 1 39 ILE HA 1 40 ILE H 3.600 . 3.600 2.145 2.131 2.159 . 0 0 "[ . 1 . 2]" 1
358 1 39 ILE HB 1 55 GLU HA 4.500 . 4.500 2.452 2.046 3.094 . 0 0 "[ . 1 . 2]" 1
359 1 39 ILE HB 1 56 ASN H 4.500 . 4.500 3.253 2.409 3.665 . 0 0 "[ . 1 . 2]" 1
360 1 39 ILE HB 1 57 ASP H 3.600 . 3.600 2.513 1.991 3.160 . 0 0 "[ . 1 . 2]" 1
361 1 39 ILE MD 1 53 LEU HB3 4.500 . 5.000 2.913 2.140 3.549 . 0 0 "[ . 1 . 2]" 1
362 1 39 ILE MD 1 54 LYS HA 6.000 . 6.500 4.561 4.219 5.210 . 0 0 "[ . 1 . 2]" 1
363 1 39 ILE MD 1 54 LYS H 4.500 . 5.000 2.660 2.135 3.296 . 0 0 "[ . 1 . 2]" 1
364 1 39 ILE MD 1 55 GLU HA 5.500 . 6.000 3.642 3.277 4.619 . 0 0 "[ . 1 . 2]" 1
365 1 39 ILE MD 1 57 ASP HA 4.500 . 5.000 3.931 3.558 4.011 . 0 0 "[ . 1 . 2]" 1
366 1 39 ILE MD 1 57 ASP HB2 4.500 . 5.000 1.854 1.817 1.929 . 0 0 "[ . 1 . 2]" 1
367 1 39 ILE MD 1 57 ASP HB3 4.500 . 5.000 2.523 1.886 3.273 . 0 0 "[ . 1 . 2]" 1
368 1 39 ILE MD 1 57 ASP H 4.500 . 5.000 2.872 2.162 3.632 . 0 0 "[ . 1 . 2]" 1
369 1 39 ILE MD 1 59 ILE H 5.500 . 6.000 3.807 3.245 4.128 . 0 0 "[ . 1 . 2]" 1
370 1 39 ILE MG 1 40 ILE H 4.500 . 5.000 2.785 2.544 3.052 . 0 0 "[ . 1 . 2]" 1
371 1 39 ILE MG 1 41 GLU HA 5.500 . 6.000 3.848 3.536 4.775 . 0 0 "[ . 1 . 2]" 1
372 1 39 ILE MG 1 55 GLU HA 3.600 . 4.100 2.056 1.872 2.714 . 0 0 "[ . 1 . 2]" 1
373 1 39 ILE MG 1 55 GLU HB2 5.500 . 6.000 3.751 3.093 4.751 . 0 0 "[ . 1 . 2]" 1
374 1 39 ILE MG 1 55 GLU HB3 5.500 . 6.000 3.353 2.948 4.035 . 0 0 "[ . 1 . 2]" 1
375 1 39 ILE MG 1 55 GLU H 5.500 . 6.000 3.683 3.076 4.181 . 0 0 "[ . 1 . 2]" 1
376 1 39 ILE MG 1 56 ASN H 4.500 . 5.000 3.801 3.344 4.067 . 0 0 "[ . 1 . 2]" 1
377 1 39 ILE MG 1 57 ASP H 4.500 . 5.000 3.907 3.486 4.151 . 0 0 "[ . 1 . 2]" 1
378 1 39 ILE H 1 39 ILE HB 3.600 . 3.600 2.632 2.578 2.686 . 0 0 "[ . 1 . 2]" 1
379 1 39 ILE H 1 39 ILE MD 4.500 . 5.000 3.418 2.892 3.754 . 0 0 "[ . 1 . 2]" 1
380 1 39 ILE H 1 39 ILE QG 4.500 . 4.500 2.067 1.954 2.227 . 0 0 "[ . 1 . 2]" 1
381 1 39 ILE H 1 55 GLU HA 6.000 . 6.000 4.806 4.338 5.289 . 0 0 "[ . 1 . 2]" 1
382 1 39 ILE H 1 56 ASN HA 6.000 . 6.000 5.332 5.066 5.841 . 0 0 "[ . 1 . 2]" 1
383 1 39 ILE H 1 56 ASN H 6.000 . 6.000 4.889 4.094 5.749 . 0 0 "[ . 1 . 2]" 1
384 1 39 ILE H 1 57 ASP H 5.500 . 5.500 3.535 3.159 4.694 . 0 0 "[ . 1 . 2]" 1
385 1 39 ILE H 1 58 VAL HA 6.000 . 6.000 3.058 2.706 3.308 . 0 0 "[ . 1 . 2]" 1
386 1 39 ILE H 1 58 VAL MG2 5.500 . 6.000 3.651 3.320 4.105 . 0 0 "[ . 1 . 2]" 1
387 1 39 ILE H 1 59 ILE MD 6.000 . 6.500 3.872 3.099 4.710 . 0 0 "[ . 1 . 2]" 1
388 1 39 ILE H 1 59 ILE H 5.500 . 5.500 4.197 3.930 4.422 . 0 0 "[ . 1 . 2]" 1
389 1 40 ILE HB 1 41 GLU H 3.600 . 3.600 2.136 1.904 2.339 . 0 0 "[ . 1 . 2]" 1
390 1 40 ILE MD 1 41 GLU H 5.500 . 6.000 3.972 3.742 4.454 . 0 0 "[ . 1 . 2]" 1
391 1 40 ILE MD 2 2 SER HA 6.000 2.300 6.500 5.204 5.119 5.304 . 0 0 "[ . 1 . 2]" 1
392 1 40 ILE MD 2 4 ILE HA 4.500 . 5.000 2.560 2.138 3.610 . 0 0 "[ . 1 . 2]" 1
393 1 40 ILE MG 1 41 GLU HA 5.500 . 6.000 4.030 3.734 4.431 . 0 0 "[ . 1 . 2]" 1
394 1 40 ILE MG 1 41 GLU H 4.500 . 5.000 2.760 1.837 3.247 . 0 0 "[ . 1 . 2]" 1
395 1 40 ILE H 1 40 ILE MD 4.500 . 5.000 2.872 2.231 3.796 . 0 0 "[ . 1 . 2]" 1
396 1 40 ILE H 1 55 GLU HA 6.000 . 6.000 4.700 4.327 5.019 . 0 0 "[ . 1 . 2]" 1
397 1 40 ILE H 1 59 ILE MD 6.000 . 6.500 5.175 4.675 5.412 . 0 0 "[ . 1 . 2]" 1
398 1 41 GLU HA 1 42 VAL H 3.600 . 3.600 2.298 2.194 2.442 . 0 0 "[ . 1 . 2]" 1
399 1 41 GLU HA 1 55 GLU HA 5.500 . 5.500 4.001 3.622 4.612 . 0 0 "[ . 1 . 2]" 1
400 1 41 GLU HA 1 55 GLU HB2 5.500 . 5.500 3.003 1.977 3.789 . 0 0 "[ . 1 . 2]" 1
401 1 41 GLU HA 1 55 GLU HB3 3.600 . 3.600 2.117 1.945 2.495 . 0 0 "[ . 1 . 2]" 1
402 1 41 GLU H 1 42 VAL MG2 6.000 . 6.500 4.121 3.785 4.839 . 0 0 "[ . 1 . 2]" 1
403 1 42 VAL HA 1 43 ILE H 3.600 . 3.600 2.251 2.172 2.359 . 0 0 "[ . 1 . 2]" 1
404 1 42 VAL HA 1 48 ALA MB 5.500 . 6.000 3.919 3.657 4.307 . 0 0 "[ . 1 . 2]" 1
405 1 42 VAL MG1 1 43 ILE H 3.600 . 4.100 2.179 1.923 2.431 . 0 0 "[ . 1 . 2]" 1
406 1 42 VAL MG1 1 46 THR MG 4.500 . 5.500 3.196 1.903 3.659 . 0 0 "[ . 1 . 2]" 1
407 1 42 VAL MG1 1 46 THR H 5.500 . 6.000 4.435 4.021 4.673 . 0 0 "[ . 1 . 2]" 1
408 1 42 VAL MG1 1 48 ALA MB 3.600 . 4.600 1.824 1.667 2.179 0.133 18 0 "[ . 1 . 2]" 1
409 1 42 VAL MG1 1 48 ALA H 4.500 . 5.000 3.849 3.636 4.095 . 0 0 "[ . 1 . 2]" 1
410 1 42 VAL MG1 1 49 GLU HA 3.600 . 4.100 2.915 2.546 3.219 . 0 0 "[ . 1 . 2]" 1
411 1 42 VAL MG1 1 49 GLU HB2 4.500 . 5.000 2.040 1.848 2.241 . 0 0 "[ . 1 . 2]" 1
412 1 42 VAL MG1 1 49 GLU HB3 5.500 . 6.000 3.356 2.865 3.732 . 0 0 "[ . 1 . 2]" 1
413 1 42 VAL MG1 1 49 GLU H 3.600 . 4.100 2.384 2.052 2.902 . 0 0 "[ . 1 . 2]" 1
414 1 42 VAL MG1 1 50 ALA H 5.500 . 6.000 4.362 4.119 4.814 . 0 0 "[ . 1 . 2]" 1
415 1 42 VAL MG2 1 43 ILE H 4.500 . 5.000 4.019 3.887 4.157 . 0 0 "[ . 1 . 2]" 1
416 1 42 VAL MG2 1 48 ALA HA 6.000 . 6.500 4.863 4.598 5.141 . 0 0 "[ . 1 . 2]" 1
417 1 42 VAL MG2 1 48 ALA MB 3.600 . 4.600 2.655 2.448 2.927 . 0 0 "[ . 1 . 2]" 1
418 1 42 VAL MG2 1 49 GLU HA 5.500 . 6.000 3.991 3.330 4.492 . 0 0 "[ . 1 . 2]" 1
419 1 42 VAL MG2 1 54 LYS HA 3.600 . 4.100 2.704 2.218 3.238 . 0 0 "[ . 1 . 2]" 1
420 1 42 VAL MG2 1 55 GLU HA 6.000 . 6.500 3.686 2.713 4.468 . 0 0 "[ . 1 . 2]" 1
421 1 42 VAL MG2 1 55 GLU HB3 6.000 . 6.500 3.266 2.020 3.907 . 0 0 "[ . 1 . 2]" 1
422 1 42 VAL MG2 1 55 GLU H 5.500 . 6.000 3.278 2.739 3.748 . 0 0 "[ . 1 . 2]" 1
423 1 42 VAL H 1 42 VAL HB 3.600 . 3.600 2.752 2.657 2.846 . 0 0 "[ . 1 . 2]" 1
424 1 42 VAL H 1 42 VAL MG2 4.500 . 5.000 2.600 2.353 2.860 . 0 0 "[ . 1 . 2]" 1
425 1 42 VAL H 1 55 GLU HA 6.000 . 6.000 5.257 4.365 5.881 . 0 0 "[ . 1 . 2]" 1
426 1 42 VAL H 1 55 GLU H 5.500 . 5.500 4.663 4.056 5.334 . 0 0 "[ . 1 . 2]" 1
427 1 43 ILE HA 1 44 PRO QD 4.500 . 4.500 1.914 1.790 2.080 0.010 4 0 "[ . 1 . 2]" 1
428 1 43 ILE HB 1 45 ASP H 5.500 . 5.500 3.445 2.688 5.554 0.054 19 0 "[ . 1 . 2]" 1
429 1 43 ILE HB 1 46 THR MG 3.600 . 4.100 1.876 1.721 2.879 0.079 11 0 "[ . 1 . 2]" 1
430 1 43 ILE MD 2 6 TRP HZ2 3.600 . 4.100 2.723 2.077 3.281 . 0 0 "[ . 1 . 2]" 1
431 1 43 ILE MD 1 43 ILE MG 3.600 . 4.600 2.600 1.825 3.258 . 0 0 "[ . 1 . 2]" 1
432 1 43 ILE MG 1 44 PRO QD 4.500 . 5.000 1.861 1.744 2.077 0.056 5 0 "[ . 1 . 2]" 1
433 1 43 ILE MG 1 44 PRO QG 5.500 . 6.000 3.369 2.747 3.882 . 0 0 "[ . 1 . 2]" 1
434 1 43 ILE MG 1 46 THR MG 3.600 . 4.600 2.521 1.816 3.024 . 0 0 "[ . 1 . 2]" 1
435 1 43 ILE MG 1 46 THR H 5.500 . 6.000 4.382 2.836 4.847 . 0 0 "[ . 1 . 2]" 1
436 1 43 ILE MG 2 6 TRP HZ2 5.500 . 6.000 4.450 4.015 4.854 . 0 0 "[ . 1 . 2]" 1
437 1 43 ILE H 1 43 ILE HB 3.600 . 3.600 2.530 2.159 2.783 . 0 0 "[ . 1 . 2]" 1
438 1 43 ILE H 1 43 ILE MD 4.500 . 5.000 2.703 2.035 3.294 . 0 0 "[ . 1 . 2]" 1
439 1 43 ILE H 1 43 ILE MG 4.500 . 5.000 3.728 3.123 3.831 . 0 0 "[ . 1 . 2]" 1
440 1 43 ILE H 1 44 PRO QD 6.000 . 6.000 4.365 4.275 4.424 . 0 0 "[ . 1 . 2]" 1
441 1 43 ILE H 1 45 ASP H 6.000 . 6.000 4.789 4.538 5.555 . 0 0 "[ . 1 . 2]" 1
442 1 43 ILE H 1 46 THR MG 3.600 . 4.100 2.890 2.300 3.264 . 0 0 "[ . 1 . 2]" 1
443 1 43 ILE H 1 48 ALA MB 5.500 . 6.000 3.873 3.413 4.311 . 0 0 "[ . 1 . 2]" 1
444 1 44 PRO HA 1 45 ASP H 3.600 . 3.600 3.079 2.195 3.463 . 0 0 "[ . 1 . 2]" 1
445 1 44 PRO QD 1 46 THR MG 6.000 . 6.500 4.349 4.175 4.575 . 0 0 "[ . 1 . 2]" 1
446 1 45 ASP HA 1 46 THR H 3.600 . 3.600 2.604 2.318 2.865 . 0 0 "[ . 1 . 2]" 1
447 1 45 ASP HB2 1 46 THR MG 5.500 . 6.000 3.781 3.336 4.823 . 0 0 "[ . 1 . 2]" 1
448 1 45 ASP H 1 46 THR HB 5.500 . 5.500 5.183 3.860 5.577 0.077 20 0 "[ . 1 . 2]" 1
449 1 45 ASP H 1 46 THR MG 6.000 . 6.500 2.602 2.218 4.315 . 0 0 "[ . 1 . 2]" 1
450 1 45 ASP H 1 46 THR H 4.500 . 4.500 2.773 1.965 3.499 . 0 0 "[ . 1 . 2]" 1
451 1 45 ASP H 1 49 GLU HB2 6.000 . 6.000 4.894 3.976 5.498 . 0 0 "[ . 1 . 2]" 1
452 1 45 ASP H 1 49 GLU H 6.000 . 6.000 5.533 4.558 6.044 0.044 1 0 "[ . 1 . 2]" 1
453 1 46 THR HA 1 47 PRO HD3 4.500 . 4.500 2.206 1.942 2.501 . 0 0 "[ . 1 . 2]" 1
454 1 46 THR HA 1 47 PRO HD2 4.500 . 4.500 2.876 2.379 3.086 . 0 0 "[ . 1 . 2]" 1
455 1 46 THR HA 1 47 PRO HG3 5.500 . 5.500 4.349 4.027 4.703 . 0 0 "[ . 1 . 2]" 1
456 1 46 THR HA 1 47 PRO HG2 5.500 . 5.500 4.696 4.520 4.907 . 0 0 "[ . 1 . 2]" 1
457 1 46 THR HA 1 48 ALA H 5.500 . 5.500 4.059 3.887 4.185 . 0 0 "[ . 1 . 2]" 1
458 1 46 THR HB 1 47 PRO HD3 4.500 . 4.500 2.977 2.569 3.723 . 0 0 "[ . 1 . 2]" 1
459 1 46 THR HB 1 47 PRO HD2 4.500 . 4.500 2.208 1.781 3.726 0.019 10 0 "[ . 1 . 2]" 1
460 1 46 THR HB 1 48 ALA MB 5.500 . 6.000 3.664 2.599 4.317 . 0 0 "[ . 1 . 2]" 1
461 1 46 THR HB 1 48 ALA H 4.500 . 4.500 3.182 2.164 4.283 . 0 0 "[ . 1 . 2]" 1
462 1 46 THR HB 1 49 GLU H 6.000 . 6.000 4.682 3.347 5.272 . 0 0 "[ . 1 . 2]" 1
463 1 46 THR MG 1 47 PRO HD3 4.500 . 5.000 4.043 3.574 4.282 . 0 0 "[ . 1 . 2]" 1
464 1 46 THR MG 1 47 PRO HD2 6.000 . 6.500 3.639 2.519 3.961 . 0 0 "[ . 1 . 2]" 1
465 1 46 THR MG 1 48 ALA MB 4.500 . 5.500 3.427 2.126 3.695 . 0 0 "[ . 1 . 2]" 1
466 1 46 THR MG 1 48 ALA H 6.000 . 6.500 3.901 2.788 4.160 . 0 0 "[ . 1 . 2]" 1
467 1 46 THR MG 1 50 ALA H 6.000 . 6.500 5.292 4.412 5.506 . 0 0 "[ . 1 . 2]" 1
468 1 46 THR H 1 49 GLU HB2 6.000 . 6.000 4.356 3.913 4.893 . 0 0 "[ . 1 . 2]" 1
469 1 46 THR H 1 49 GLU HB3 4.500 . 4.500 3.538 3.163 3.954 . 0 0 "[ . 1 . 2]" 1
470 1 46 THR H 1 49 GLU H 5.500 . 5.500 3.917 3.539 4.337 . 0 0 "[ . 1 . 2]" 1
471 1 46 THR H 1 50 ALA H 6.000 . 6.000 4.103 3.400 5.234 . 0 0 "[ . 1 . 2]" 1
472 1 47 PRO HA 1 48 ALA HA 6.000 . 6.000 4.845 4.776 4.891 . 0 0 "[ . 1 . 2]" 1
473 1 47 PRO HA 1 50 ALA MB 3.600 . 4.100 2.201 1.975 2.548 . 0 0 "[ . 1 . 2]" 1
474 1 47 PRO HA 1 50 ALA H 4.500 . 4.500 3.382 2.988 3.704 . 0 0 "[ . 1 . 2]" 1
475 1 47 PRO HA 1 51 GLY H 6.000 . 6.000 3.669 3.402 4.020 . 0 0 "[ . 1 . 2]" 1
476 1 47 PRO HA 1 98 VAL MG1 5.500 . 6.000 3.576 3.271 3.993 . 0 0 "[ . 1 . 2]" 1
477 1 47 PRO QB 1 98 VAL MG1 5.500 . 6.000 1.876 1.796 2.136 0.004 8 0 "[ . 1 . 2]" 1
478 1 47 PRO HD3 1 48 ALA H 5.500 . 5.500 3.824 3.671 3.939 . 0 0 "[ . 1 . 2]" 1
479 1 47 PRO HD2 1 48 ALA H 4.500 . 4.500 2.630 2.357 2.806 . 0 0 "[ . 1 . 2]" 1
480 1 47 PRO HD2 1 101 GLU H 6.000 . 6.000 4.887 4.111 5.530 . 0 0 "[ . 1 . 2]" 1
481 1 47 PRO HG3 1 98 VAL MG1 4.500 . 5.000 3.859 3.199 4.212 . 0 0 "[ . 1 . 2]" 1
482 1 47 PRO HG2 1 48 ALA H 5.500 . 5.500 3.604 2.664 4.338 . 0 0 "[ . 1 . 2]" 1
483 1 47 PRO HG2 1 100 PRO HA 5.500 . 5.500 2.968 1.980 3.661 . 0 0 "[ . 1 . 2]" 1
484 1 48 ALA HA 1 53 LEU MD1 3.600 . 4.100 1.943 1.801 3.426 . 0 0 "[ . 1 . 2]" 1
485 1 48 ALA HA 1 98 VAL HA 6.000 . 6.000 5.488 4.920 6.006 0.006 8 0 "[ . 1 . 2]" 1
486 1 48 ALA HA 1 98 VAL MG1 3.600 . 4.100 2.548 2.160 2.919 . 0 0 "[ . 1 . 2]" 1
487 1 48 ALA HA 1 98 VAL MG2 3.600 . 4.100 2.792 2.300 3.251 . 0 0 "[ . 1 . 2]" 1
488 1 48 ALA MB 1 49 GLU HB2 6.000 . 6.500 3.712 3.540 3.993 . 0 0 "[ . 1 . 2]" 1
489 1 48 ALA MB 1 49 GLU HB3 5.500 . 6.000 4.479 4.203 4.773 . 0 0 "[ . 1 . 2]" 1
490 1 48 ALA MB 1 49 GLU H 3.600 . 4.100 2.294 2.102 2.684 . 0 0 "[ . 1 . 2]" 1
491 1 48 ALA MB 1 50 ALA H 5.500 . 6.000 4.165 4.046 4.419 . 0 0 "[ . 1 . 2]" 1
492 1 48 ALA MB 1 51 GLY H 6.000 . 6.500 4.564 4.399 4.755 . 0 0 "[ . 1 . 2]" 1
493 1 48 ALA MB 1 53 LEU MD1 3.600 . 4.600 2.010 1.789 2.779 0.011 15 0 "[ . 1 . 2]" 1
494 1 48 ALA H 1 49 GLU H 4.500 . 4.500 2.837 2.707 2.927 . 0 0 "[ . 1 . 2]" 1
495 1 48 ALA H 1 50 ALA H 5.500 . 5.500 3.771 3.654 4.031 . 0 0 "[ . 1 . 2]" 1
496 1 48 ALA H 1 98 VAL MG1 5.500 . 6.000 3.416 3.179 3.746 . 0 0 "[ . 1 . 2]" 1
497 1 49 GLU HB3 1 50 ALA MB 5.500 . 6.000 3.962 3.785 4.091 . 0 0 "[ . 1 . 2]" 1
498 1 49 GLU HB3 1 50 ALA H 3.600 . 3.600 2.862 2.645 3.034 . 0 0 "[ . 1 . 2]" 1
499 1 49 GLU H 1 49 GLU HB2 3.600 . 3.600 2.426 2.264 2.683 . 0 0 "[ . 1 . 2]" 1
500 1 49 GLU H 1 49 GLU HB3 3.600 . 3.600 2.667 2.447 2.859 . 0 0 "[ . 1 . 2]" 1
501 1 49 GLU H 1 50 ALA MB 6.000 . 6.500 4.169 3.973 4.344 . 0 0 "[ . 1 . 2]" 1
502 1 49 GLU H 1 50 ALA H 3.600 . 3.600 2.492 2.315 2.626 . 0 0 "[ . 1 . 2]" 1
503 1 49 GLU H 1 51 GLY H 6.000 . 6.000 3.961 3.841 4.066 . 0 0 "[ . 1 . 2]" 1
504 1 49 GLU H 1 53 LEU HG 6.000 . 6.000 5.104 4.220 5.335 . 0 0 "[ . 1 . 2]" 1
505 1 50 ALA HA 1 52 GLY HA2 6.000 . 6.000 5.422 5.101 6.001 0.001 19 0 "[ . 1 . 2]" 1
506 1 50 ALA MB 1 51 GLY HA2 6.000 . 6.500 3.888 3.840 3.969 . 0 0 "[ . 1 . 2]" 1
507 1 50 ALA MB 1 51 GLY HA3 5.500 . 6.000 4.365 4.266 4.518 . 0 0 "[ . 1 . 2]" 1
508 1 50 ALA MB 1 51 GLY H 3.600 . 4.100 2.888 2.688 3.236 . 0 0 "[ . 1 . 2]" 1
509 1 50 ALA H 1 51 GLY HA3 6.000 . 6.000 4.741 4.618 5.018 . 0 0 "[ . 1 . 2]" 1
510 1 50 ALA H 1 51 GLY H 3.600 . 3.600 2.456 2.333 2.704 . 0 0 "[ . 1 . 2]" 1
511 1 50 ALA H 1 52 GLY H 6.000 . 6.000 4.390 4.097 4.966 . 0 0 "[ . 1 . 2]" 1
512 1 51 GLY HA2 1 53 LEU H 6.000 . 6.000 5.206 4.980 5.484 . 0 0 "[ . 1 . 2]" 1
513 1 51 GLY HA2 1 96 ILE MG 4.500 . 5.000 3.823 3.513 4.108 . 0 0 "[ . 1 . 2]" 1
514 1 51 GLY HA2 1 98 VAL MG1 6.000 . 6.500 4.327 3.862 4.848 . 0 0 "[ . 1 . 2]" 1
515 1 51 GLY HA2 1 98 VAL MG2 4.500 . 5.000 3.470 3.125 4.002 . 0 0 "[ . 1 . 2]" 1
516 1 51 GLY HA3 1 53 LEU HG 6.000 . 6.000 3.693 3.419 5.384 . 0 0 "[ . 1 . 2]" 1
517 1 51 GLY HA3 1 96 ILE MG 4.500 . 5.000 3.155 2.818 3.398 . 0 0 "[ . 1 . 2]" 1
518 1 51 GLY HA3 1 98 VAL HB 6.000 . 6.000 4.992 4.612 5.369 . 0 0 "[ . 1 . 2]" 1
519 1 51 GLY HA3 1 98 VAL MG1 6.000 . 6.500 3.306 2.870 3.664 . 0 0 "[ . 1 . 2]" 1
520 1 51 GLY HA3 1 98 VAL MG2 4.500 . 5.000 2.171 1.920 2.540 . 0 0 "[ . 1 . 2]" 1
521 1 51 GLY HA3 1 99 ILE H 6.000 . 6.000 5.454 5.139 5.810 . 0 0 "[ . 1 . 2]" 1
522 1 51 GLY H 1 52 GLY H 3.600 . 3.600 2.653 2.297 3.017 . 0 0 "[ . 1 . 2]" 1
523 1 51 GLY H 1 53 LEU MD2 5.500 . 6.000 4.875 3.912 4.983 . 0 0 "[ . 1 . 2]" 1
524 1 51 GLY H 1 53 LEU H 6.000 . 6.000 3.940 3.552 4.414 . 0 0 "[ . 1 . 2]" 1
525 1 51 GLY H 1 98 VAL MG1 5.500 . 6.000 3.760 3.356 4.332 . 0 0 "[ . 1 . 2]" 1
526 1 51 GLY H 1 98 VAL MG2 5.500 . 6.000 3.615 3.062 3.988 . 0 0 "[ . 1 . 2]" 1
527 1 52 GLY HA3 1 96 ILE MG . . 5.000 2.606 1.913 3.332 . 0 0 "[ . 1 . 2]" 1
528 1 52 GLY HA2 1 96 ILE MG 5.500 . 6.000 3.850 3.220 4.556 . 0 0 "[ . 1 . 2]" 1
529 1 52 GLY H 1 53 LEU HG 4.500 . 4.500 2.865 2.337 4.101 . 0 0 "[ . 1 . 2]" 1
530 1 52 GLY H 1 96 ILE MG 4.500 . 5.000 3.359 2.490 4.146 . 0 0 "[ . 1 . 2]" 1
531 1 52 GLY HA3 1 96 ILE MD 4.500 . 5.000 3.612 2.670 4.226 . 0 0 "[ . 1 . 2]" 1
532 1 53 LEU HA 1 53 LEU MD2 3.600 . 4.100 2.488 1.958 2.895 . 0 0 "[ . 1 . 2]" 1
533 1 53 LEU HA 1 54 LYS H 3.600 . 3.600 2.674 2.525 2.798 . 0 0 "[ . 1 . 2]" 1
534 1 53 LEU HA 1 96 ILE MD 6.000 2.300 6.500 4.348 3.787 4.896 . 0 0 "[ . 1 . 2]" 1
535 1 53 LEU MD1 1 54 LYS HA 6.000 . 6.500 5.322 5.280 5.358 . 0 0 "[ . 1 . 2]" 1
536 1 53 LEU HG 1 98 VAL MG2 4.500 . 5.000 2.918 2.618 3.393 . 0 0 "[ . 1 . 2]" 1
537 1 53 LEU H 1 53 LEU HB3 3.600 . 3.600 3.651 3.576 3.686 0.086 5 0 "[ . 1 . 2]" 1
538 1 53 LEU H 1 53 LEU MD1 4.500 . 5.000 3.510 3.314 4.224 . 0 0 "[ . 1 . 2]" 1
539 1 54 LYS HA 1 55 GLU H 3.600 . 3.600 2.358 2.206 2.590 . 0 0 "[ . 1 . 2]" 1
540 1 54 LYS H 1 57 ASP HB2 5.500 . 5.500 3.928 3.430 4.358 . 0 0 "[ . 1 . 2]" 1
541 1 54 LYS H 1 57 ASP HB3 6.000 . 6.000 5.235 4.900 5.708 . 0 0 "[ . 1 . 2]" 1
542 1 55 GLU HA 1 56 ASN H 3.600 . 3.600 2.648 2.366 2.949 . 0 0 "[ . 1 . 2]" 1
543 1 55 GLU HA 1 57 ASP H 4.500 . 4.500 3.483 3.073 4.297 . 0 0 "[ . 1 . 2]" 1
544 1 56 ASN H 1 57 ASP H 4.500 . 4.500 2.305 1.953 2.711 . 0 0 "[ . 1 . 2]" 1
545 1 57 ASP HA 1 58 VAL MG2 4.500 . 5.000 3.139 3.044 3.310 . 0 0 "[ . 1 . 2]" 1
546 1 57 ASP HA 1 58 VAL H 3.600 . 3.600 2.615 2.480 2.665 . 0 0 "[ . 1 . 2]" 1
547 1 57 ASP HB2 1 58 VAL H 4.500 . 4.500 3.370 2.900 3.607 . 0 0 "[ . 1 . 2]" 1
548 1 57 ASP HB2 1 59 ILE H 6.000 . 6.000 5.643 5.090 6.004 0.004 12 0 "[ . 1 . 2]" 1
549 1 57 ASP HB2 1 87 VAL MG1 4.500 . 5.000 2.971 2.533 3.617 . 0 0 "[ . 1 . 2]" 1
550 1 57 ASP HB3 1 58 VAL H 4.500 . 4.500 2.057 1.977 2.309 . 0 0 "[ . 1 . 2]" 1
551 1 57 ASP HB3 1 87 VAL HB 5.500 . 5.500 4.579 2.020 5.419 . 0 0 "[ . 1 . 2]" 1
552 1 57 ASP HB3 1 87 VAL MG1 3.600 . 4.100 2.113 1.839 2.606 . 0 0 "[ . 1 . 2]" 1
553 1 57 ASP HB3 1 87 VAL MG2 5.500 . 6.000 3.500 2.974 3.829 . 0 0 "[ . 1 . 2]" 1
554 1 57 ASP HB3 1 88 ARG H 6.000 . 6.000 4.429 3.492 5.444 . 0 0 "[ . 1 . 2]" 1
555 1 57 ASP H 1 57 ASP HB2 3.600 . 3.600 2.603 2.340 2.925 . 0 0 "[ . 1 . 2]" 1
556 1 58 VAL HA 1 59 ILE HA 6.000 . 6.000 4.388 4.370 4.439 . 0 0 "[ . 1 . 2]" 1
557 1 58 VAL HA 1 59 ILE MD 6.000 . 6.500 3.819 3.173 4.673 . 0 0 "[ . 1 . 2]" 1
558 1 58 VAL HA 1 59 ILE H 3.600 . 3.600 2.146 2.139 2.167 . 0 0 "[ . 1 . 2]" 1
559 1 58 VAL MG1 1 59 ILE HA 6.000 . 6.500 4.121 3.981 4.338 . 0 0 "[ . 1 . 2]" 1
560 1 58 VAL MG1 1 59 ILE H 4.500 . 5.000 2.659 2.350 2.947 . 0 0 "[ . 1 . 2]" 1
561 1 58 VAL MG1 1 60 ILE MG 3.600 . 4.600 2.895 2.765 3.032 . 0 0 "[ . 1 . 2]" 1
562 1 58 VAL MG2 1 59 ILE H 5.500 . 6.000 4.142 4.068 4.255 . 0 0 "[ . 1 . 2]" 1
563 1 58 VAL H 1 58 VAL HB 3.600 . 3.600 2.881 2.775 2.953 . 0 0 "[ . 1 . 2]" 1
564 1 58 VAL H 1 58 VAL MG2 4.500 . 5.000 2.849 2.704 2.964 . 0 0 "[ . 1 . 2]" 1
565 1 58 VAL H 1 87 VAL HA 6.000 . 6.000 4.630 3.789 5.215 . 0 0 "[ . 1 . 2]" 1
566 1 58 VAL H 1 87 VAL MG1 3.600 . 4.100 3.009 2.497 3.293 . 0 0 "[ . 1 . 2]" 1
567 1 58 VAL H 1 88 ARG H 6.000 . 6.000 4.523 3.446 5.464 . 0 0 "[ . 1 . 2]" 1
568 1 59 ILE HA 1 60 ILE HA 6.000 . 6.000 4.450 4.395 4.494 . 0 0 "[ . 1 . 2]" 1
569 1 59 ILE HA 1 60 ILE MD 6.000 . 6.500 4.891 4.681 5.130 . 0 0 "[ . 1 . 2]" 1
570 1 59 ILE HA 1 60 ILE MG 5.500 . 6.000 3.831 3.697 3.956 . 0 0 "[ . 1 . 2]" 1
571 1 59 ILE HA 1 60 ILE H 3.600 . 3.600 2.282 2.145 2.390 . 0 0 "[ . 1 . 2]" 1
572 1 59 ILE HA 1 87 VAL HA 6.000 . 6.000 4.749 4.289 5.250 . 0 0 "[ . 1 . 2]" 1
573 1 59 ILE HA 1 87 VAL MG1 5.500 . 6.000 4.552 2.891 4.873 . 0 0 "[ . 1 . 2]" 1
574 1 59 ILE HA 1 87 VAL MG2 6.000 . 6.500 4.213 3.543 5.392 . 0 0 "[ . 1 . 2]" 1
575 1 59 ILE HB 1 60 ILE HA 5.500 . 5.500 4.483 4.355 4.788 . 0 0 "[ . 1 . 2]" 1
576 1 59 ILE HB 1 73 VAL MG2 3.600 . 4.100 3.118 2.914 3.292 . 0 0 "[ . 1 . 2]" 1
577 1 59 ILE MG 1 62 ILE HA 6.000 . 6.500 4.483 4.252 4.698 . 0 0 "[ . 1 . 2]" 1
578 1 59 ILE MG 1 85 MET HB2 5.500 . 6.000 3.623 3.292 4.023 . 0 0 "[ . 1 . 2]" 1
579 1 59 ILE H 1 59 ILE HB 3.600 . 3.600 2.642 2.608 2.721 . 0 0 "[ . 1 . 2]" 1
580 1 59 ILE H 1 59 ILE MD 4.500 . 5.000 2.553 2.018 3.331 . 0 0 "[ . 1 . 2]" 1
581 1 59 ILE H 1 60 ILE MG 5.500 . 6.000 4.523 4.398 4.622 . 0 0 "[ . 1 . 2]" 1
582 1 60 ILE HA 1 67 VAL HB 4.500 . 4.500 2.949 2.643 3.344 . 0 0 "[ . 1 . 2]" 1
583 1 60 ILE HA 1 67 VAL MG2 4.500 . 5.000 4.053 3.951 4.135 . 0 0 "[ . 1 . 2]" 1
584 1 60 ILE HA 1 67 VAL H 4.500 . 4.500 3.839 3.549 4.190 . 0 0 "[ . 1 . 2]" 1
585 1 60 ILE HA 1 73 VAL MG2 6.000 . 6.500 5.259 4.709 5.433 . 0 0 "[ . 1 . 2]" 1
586 1 60 ILE HB 1 61 SER HA 6.000 . 6.000 4.482 4.376 4.658 . 0 0 "[ . 1 . 2]" 1
587 1 60 ILE HB 1 61 SER HB3 4.500 . 4.500 3.958 3.651 4.515 0.015 10 0 "[ . 1 . 2]" 1
588 1 60 ILE HB 1 61 SER H 3.600 . 3.600 3.411 3.187 3.629 0.029 7 0 "[ . 1 . 2]" 1
589 1 60 ILE HB 1 67 VAL H 6.000 . 6.000 4.535 4.307 4.852 . 0 0 "[ . 1 . 2]" 1
590 1 60 ILE MD 1 61 SER HA 4.500 . 5.000 3.365 3.184 3.706 . 0 0 "[ . 1 . 2]" 1
591 1 60 ILE MD 1 61 SER HB2 5.500 . 6.000 3.259 2.276 3.538 . 0 0 "[ . 1 . 2]" 1
592 1 60 ILE MD 1 61 SER HB3 4.500 . 5.000 1.950 1.822 2.191 . 0 0 "[ . 1 . 2]" 1
593 1 60 ILE MD 1 85 MET HA 5.500 . 6.000 4.755 4.662 4.825 . 0 0 "[ . 1 . 2]" 1
594 1 60 ILE MD 1 86 VAL HB 3.600 . 4.100 2.691 2.404 2.904 . 0 0 "[ . 1 . 2]" 1
595 1 60 ILE H 1 60 ILE MD 4.500 . 5.000 3.316 3.088 3.433 . 0 0 "[ . 1 . 2]" 1
596 1 60 ILE H 1 60 ILE QG 4.500 . 4.500 1.974 1.762 2.104 0.038 10 0 "[ . 1 . 2]" 1
597 1 61 SER HA 1 62 ILE HA 5.500 . 5.500 4.488 4.432 4.529 . 0 0 "[ . 1 . 2]" 1
598 1 61 SER HA 1 62 ILE H 3.600 . 3.600 2.320 2.231 2.384 . 0 0 "[ . 1 . 2]" 1
599 1 61 SER HA 1 65 GLN HB2 6.000 . 6.000 4.655 4.318 5.054 . 0 0 "[ . 1 . 2]" 1
600 1 61 SER HA 1 65 GLN H 6.000 . 6.000 3.981 3.712 4.188 . 0 0 "[ . 1 . 2]" 1
601 1 61 SER HA 1 67 VAL HB 5.500 . 5.500 4.180 3.670 4.730 . 0 0 "[ . 1 . 2]" 1
602 1 61 SER HA 1 67 VAL MG2 3.600 . 4.100 2.831 2.565 3.090 . 0 0 "[ . 1 . 2]" 1
603 1 61 SER HA 1 67 VAL H 3.600 . 3.600 2.841 2.644 3.214 . 0 0 "[ . 1 . 2]" 1
604 1 61 SER HB2 1 62 ILE HA 6.000 . 6.000 4.559 4.311 5.547 . 0 0 "[ . 1 . 2]" 1
605 1 61 SER HB2 1 62 ILE MG 6.000 . 6.500 4.785 4.589 5.205 . 0 0 "[ . 1 . 2]" 1
606 1 61 SER HB2 1 62 ILE H 3.600 . 3.600 2.743 2.502 3.560 . 0 0 "[ . 1 . 2]" 1
607 1 61 SER HB2 1 65 GLN HA 6.000 . 6.000 5.472 5.020 5.779 . 0 0 "[ . 1 . 2]" 1
608 1 61 SER HB2 1 67 VAL H 5.500 . 5.500 4.977 4.467 5.469 . 0 0 "[ . 1 . 2]" 1
609 1 61 SER H 1 67 VAL HB 5.500 . 5.500 4.706 4.124 5.201 . 0 0 "[ . 1 . 2]" 1
610 1 62 ILE HA 1 63 ASN H 3.600 . 3.600 2.132 2.124 2.141 . 0 0 "[ . 1 . 2]" 1
611 1 62 ILE HA 1 85 MET HA 4.500 . 4.500 2.807 2.483 3.151 . 0 0 "[ . 1 . 2]" 1
612 1 62 ILE HA 1 85 MET HB3 5.500 . 5.500 4.553 4.084 5.064 . 0 0 "[ . 1 . 2]" 1
613 1 62 ILE HA 1 85 MET QG 6.000 . 6.000 3.017 2.561 3.467 . 0 0 "[ . 1 . 2]" 1
614 1 62 ILE MD 1 76 VAL HB 4.500 . 5.000 3.196 2.691 3.799 . 0 0 "[ . 1 . 2]" 1
615 1 62 ILE MD 1 83 LEU HA 4.500 . 5.000 3.252 1.866 3.810 . 0 0 "[ . 1 . 2]" 1
616 1 62 ILE MD 1 85 MET HA 5.500 . 6.000 4.283 3.905 4.925 . 0 0 "[ . 1 . 2]" 1
617 1 62 ILE MD 1 85 MET ME 3.600 . 4.600 2.055 1.859 2.978 . 0 0 "[ . 1 . 2]" 1
618 1 62 ILE MD 1 85 MET HG2 4.500 . 5.000 2.487 2.042 4.214 . 0 0 "[ . 1 . 2]" 1
619 1 62 ILE MD 1 85 MET HG3 4.500 . 5.000 2.293 1.945 3.503 . 0 0 "[ . 1 . 2]" 1
620 1 62 ILE MG 1 63 ASN HB2 6.000 . 6.500 5.023 4.864 5.194 . 0 0 "[ . 1 . 2]" 1
621 1 62 ILE MG 1 63 ASN HB3 5.500 . 6.000 4.400 3.993 4.711 . 0 0 "[ . 1 . 2]" 1
622 1 62 ILE MG 1 63 ASN H 4.500 . 5.000 4.013 3.897 4.094 . 0 0 "[ . 1 . 2]" 1
623 1 62 ILE MG 1 64 GLY H 5.500 . 6.000 4.490 4.275 4.754 . 0 0 "[ . 1 . 2]" 1
624 1 62 ILE MG 1 65 GLN HA 6.000 . 6.500 4.265 4.089 4.497 . 0 0 "[ . 1 . 2]" 1
625 1 62 ILE MG 1 65 GLN H 4.500 . 5.000 3.261 3.004 3.634 . 0 0 "[ . 1 . 2]" 1
626 1 62 ILE MG 1 66 SER H 5.500 . 6.000 4.638 4.279 4.868 . 0 0 "[ . 1 . 2]" 1
627 1 62 ILE MG 1 76 VAL HA 5.500 . 6.000 4.508 4.213 4.745 . 0 0 "[ . 1 . 2]" 1
628 1 62 ILE MG 1 80 GLU HG2 5.500 . 6.000 4.833 4.625 4.898 . 0 0 "[ . 1 . 2]" 1
629 1 62 ILE H 1 62 ILE MG 4.500 . 5.000 2.402 2.261 2.546 . 0 0 "[ . 1 . 2]" 1
630 1 62 ILE H 1 65 GLN HB2 5.500 . 5.500 3.066 2.765 3.398 . 0 0 "[ . 1 . 2]" 1
631 1 62 ILE H 1 65 GLN H 4.500 . 4.500 2.201 2.069 2.356 . 0 0 "[ . 1 . 2]" 1
632 1 62 ILE H 1 67 VAL H 4.500 . 4.500 4.495 4.302 4.516 0.016 17 0 "[ . 1 . 2]" 1
633 1 63 ASN HA 1 64 GLY H 3.600 . 3.600 2.813 2.661 2.941 . 0 0 "[ . 1 . 2]" 1
634 1 63 ASN HA 1 84 ASN HB2 5.500 . 5.500 2.225 1.988 2.674 . 0 0 "[ . 1 . 2]" 1
635 1 63 ASN HA 1 84 ASN HB3 6.000 . 6.000 3.802 3.569 4.203 . 0 0 "[ . 1 . 2]" 1
636 1 63 ASN HD21 1 80 GLU HB2 6.000 . 6.000 3.155 2.636 3.624 . 0 0 "[ . 1 . 2]" 1
637 1 63 ASN HD21 1 80 GLU HB3 5.500 . 5.500 3.711 2.611 4.231 . 0 0 "[ . 1 . 2]" 1
638 1 63 ASN HD21 1 80 GLU HG2 5.500 . 5.500 4.408 2.833 4.991 . 0 0 "[ . 1 . 2]" 1
639 1 63 ASN HD21 1 83 LEU HA 5.500 . 5.500 2.341 1.937 3.392 . 0 0 "[ . 1 . 2]" 1
640 1 63 ASN HD22 1 80 GLU HB2 6.000 . 6.000 2.965 2.128 3.876 . 0 0 "[ . 1 . 2]" 1
641 1 63 ASN HD22 1 80 GLU HB3 5.500 . 5.500 3.601 2.978 4.224 . 0 0 "[ . 1 . 2]" 1
642 1 63 ASN HD22 1 80 GLU HG2 5.500 . 5.500 3.247 2.150 3.671 . 0 0 "[ . 1 . 2]" 1
643 1 63 ASN HD22 1 83 LEU HA 5.500 . 5.500 3.980 3.446 5.059 . 0 0 "[ . 1 . 2]" 1
644 1 63 ASN H 1 64 GLY H 4.500 . 4.500 2.923 2.823 3.038 . 0 0 "[ . 1 . 2]" 1
645 1 63 ASN H 1 65 GLN H 5.500 . 5.500 4.299 4.102 4.580 . 0 0 "[ . 1 . 2]" 1
646 1 63 ASN H 1 84 ASN HB2 4.500 . 4.500 2.300 1.990 2.736 . 0 0 "[ . 1 . 2]" 1
647 1 63 ASN H 1 84 ASN HB3 5.500 . 5.500 3.521 3.068 4.138 . 0 0 "[ . 1 . 2]" 1
648 1 63 ASN H 1 85 MET HA 5.500 . 5.500 4.103 3.690 4.590 . 0 0 "[ . 1 . 2]" 1
649 1 64 GLY H 1 65 GLN H 4.500 . 4.500 2.474 2.308 2.678 . 0 0 "[ . 1 . 2]" 1
650 1 65 GLN HA 1 66 SER H 3.600 . 3.600 2.271 2.136 2.480 . 0 0 "[ . 1 . 2]" 1
651 1 65 GLN HB2 1 76 VAL MG2 5.500 . 6.000 3.679 3.277 4.212 . 0 0 "[ . 1 . 2]" 1
652 1 65 GLN HB3 1 76 VAL MG2 5.500 . 6.000 3.713 3.033 4.237 . 0 0 "[ . 1 . 2]" 1
653 1 65 GLN H 1 65 GLN HB2 3.600 . 3.600 2.703 2.435 2.898 . 0 0 "[ . 1 . 2]" 1
654 1 67 VAL HA 1 68 VAL H 3.600 . 3.600 2.270 2.160 2.401 . 0 0 "[ . 1 . 2]" 1
655 1 67 VAL HA 1 69 SER H 5.500 . 5.500 4.023 3.556 4.321 . 0 0 "[ . 1 . 2]" 1
656 1 67 VAL HA 1 72 ASP HB2 4.500 . 4.500 3.620 3.391 3.885 . 0 0 "[ . 1 . 2]" 1
657 1 67 VAL HA 1 72 ASP HB3 4.500 . 4.500 2.858 2.563 3.172 . 0 0 "[ . 1 . 2]" 1
658 1 67 VAL HB 1 69 SER H 6.000 . 6.000 4.915 4.142 5.540 . 0 0 "[ . 1 . 2]" 1
659 1 67 VAL HB 1 72 ASP HB2 6.000 . 6.000 5.142 4.777 5.702 . 0 0 "[ . 1 . 2]" 1
660 1 67 VAL HB 1 72 ASP HB3 6.000 . 6.000 4.954 4.579 5.449 . 0 0 "[ . 1 . 2]" 1
661 1 67 VAL MG1 1 68 VAL H 4.500 . 5.000 2.026 1.869 2.654 . 0 0 "[ . 1 . 2]" 1
662 1 67 VAL MG1 1 69 SER H 4.500 . 5.000 2.584 1.935 3.039 . 0 0 "[ . 1 . 2]" 1
663 1 67 VAL MG1 1 72 ASP HA 6.000 . 6.500 4.327 3.980 5.008 . 0 0 "[ . 1 . 2]" 1
664 1 67 VAL MG1 1 72 ASP HB2 3.600 . 4.100 2.313 1.928 2.838 . 0 0 "[ . 1 . 2]" 1
665 1 67 VAL MG1 1 72 ASP HB3 3.600 . 4.100 2.395 1.974 2.949 . 0 0 "[ . 1 . 2]" 1
666 1 67 VAL MG1 1 73 VAL HA 4.500 . 5.000 2.899 2.433 3.491 . 0 0 "[ . 1 . 2]" 1
667 1 67 VAL MG2 1 72 ASP HB2 5.500 . 6.000 4.348 4.044 4.589 . 0 0 "[ . 1 . 2]" 1
668 1 67 VAL MG2 1 72 ASP HB3 4.500 . 5.000 3.502 3.243 3.790 . 0 0 "[ . 1 . 2]" 1
669 1 67 VAL MG2 1 73 VAL HA 3.600 . 4.100 3.116 2.905 3.271 . 0 0 "[ . 1 . 2]" 1
670 1 67 VAL MG2 1 73 VAL H 5.500 . 6.000 4.373 4.030 4.685 . 0 0 "[ . 1 . 2]" 1
671 1 67 VAL H 1 67 VAL HB 3.600 . 3.600 2.652 2.517 2.795 . 0 0 "[ . 1 . 2]" 1
672 1 67 VAL H 1 67 VAL MG2 4.500 . 5.000 2.360 2.155 2.686 . 0 0 "[ . 1 . 2]" 1
673 1 68 VAL HB 1 69 SER H 4.500 . 4.500 3.735 3.401 4.361 . 0 0 "[ . 1 . 2]" 1
674 1 68 VAL MG1 1 72 ASP HB3 6.000 . 6.500 5.166 4.816 5.316 . 0 0 "[ . 1 . 2]" 1
675 1 68 VAL MG2 1 69 SER HA 5.500 . 6.000 4.062 3.866 4.395 . 0 0 "[ . 1 . 2]" 1
676 1 68 VAL MG2 1 69 SER HB2 5.500 . 6.000 4.149 4.010 4.395 . 0 0 "[ . 1 . 2]" 1
677 1 68 VAL MG2 1 69 SER HB3 4.500 . 5.000 3.519 3.143 4.005 . 0 0 "[ . 1 . 2]" 1
678 1 68 VAL MG2 1 69 SER H 3.600 . 4.100 2.156 1.891 3.057 . 0 0 "[ . 1 . 2]" 1
679 1 68 VAL H 1 68 VAL MG2 4.500 . 5.000 2.039 1.924 2.329 . 0 0 "[ . 1 . 2]" 1
680 1 68 VAL H 1 69 SER H 3.600 . 3.600 1.970 1.896 2.047 . 0 0 "[ . 1 . 2]" 1
681 1 68 VAL H 1 72 ASP HB2 5.500 . 5.500 2.614 2.472 2.778 . 0 0 "[ . 1 . 2]" 1
682 1 68 VAL H 1 72 ASP HB3 4.500 . 4.500 3.083 2.878 3.319 . 0 0 "[ . 1 . 2]" 1
683 1 69 SER HA 1 70 ALA H 3.600 . 3.600 2.482 2.382 2.571 . 0 0 "[ . 1 . 2]" 1
684 1 69 SER HA 1 73 VAL H 6.000 . 6.000 5.400 5.328 5.451 . 0 0 "[ . 1 . 2]" 1
685 1 69 SER HB2 1 70 ALA H 4.500 . 4.500 2.293 2.040 2.560 . 0 0 "[ . 1 . 2]" 1
686 1 69 SER HB2 1 71 ASN HB3 5.500 . 5.500 4.363 4.159 4.531 . 0 0 "[ . 1 . 2]" 1
687 1 69 SER HB2 1 71 ASN H 4.500 . 4.500 2.639 2.489 2.837 . 0 0 "[ . 1 . 2]" 1
688 1 69 SER HB3 1 70 ALA H 4.500 . 4.500 3.374 3.257 3.585 . 0 0 "[ . 1 . 2]" 1
689 1 69 SER HB3 1 71 ASN HB3 6.000 . 6.000 5.941 5.759 6.004 0.004 14 0 "[ . 1 . 2]" 1
690 1 69 SER HB3 1 71 ASN HD21 6.000 . 6.000 4.609 3.910 5.988 . 0 0 "[ . 1 . 2]" 1
691 1 69 SER HB3 1 71 ASN H 6.000 . 6.000 4.382 4.242 4.500 . 0 0 "[ . 1 . 2]" 1
692 1 69 SER H 1 72 ASP HB2 4.500 . 4.500 2.233 2.067 2.416 . 0 0 "[ . 1 . 2]" 1
693 1 69 SER H 1 72 ASP HB3 4.500 . 4.500 3.661 3.470 3.903 . 0 0 "[ . 1 . 2]" 1
694 1 69 SER H 1 73 VAL H 6.000 . 6.000 4.314 4.162 4.549 . 0 0 "[ . 1 . 2]" 1
695 1 70 ALA HA 1 73 VAL HB 4.500 . 4.500 2.846 2.622 2.986 . 0 0 "[ . 1 . 2]" 1
696 1 70 ALA HA 1 73 VAL MG2 4.500 . 5.000 2.550 1.964 2.858 . 0 0 "[ . 1 . 2]" 1
697 1 70 ALA HA 1 73 VAL H 4.500 . 4.500 3.166 3.022 3.406 . 0 0 "[ . 1 . 2]" 1
698 1 70 ALA MB 1 71 ASN HA 6.000 . 6.500 3.771 3.675 3.846 . 0 0 "[ . 1 . 2]" 1
699 1 70 ALA MB 1 73 VAL HB 5.500 . 6.000 3.979 3.833 4.112 . 0 0 "[ . 1 . 2]" 1
700 1 70 ALA MB 2 5 TRP HA 6.000 . 6.500 4.726 4.506 4.943 . 0 0 "[ . 1 . 2]" 1
701 1 70 ALA MB 2 5 TRP HB2 4.500 . 5.000 2.554 2.276 2.877 . 0 0 "[ . 1 . 2]" 1
702 1 70 ALA MB 2 5 TRP HB3 4.500 . 5.000 3.516 3.106 3.754 . 0 0 "[ . 1 . 2]" 1
703 1 70 ALA MB 2 5 TRP HD1 3.600 . 4.100 3.217 2.750 3.473 . 0 0 "[ . 1 . 2]" 1
704 1 70 ALA MB 2 5 TRP HE3 4.500 . 5.000 3.810 3.573 4.018 . 0 0 "[ . 1 . 2]" 1
705 1 70 ALA MB 2 5 TRP HH2 6.000 . 6.500 5.179 4.920 5.289 . 0 0 "[ . 1 . 2]" 1
706 1 70 ALA MB 2 5 TRP HZ3 6.000 . 6.500 4.943 4.802 5.078 . 0 0 "[ . 1 . 2]" 1
707 1 70 ALA H 1 71 ASN H 4.500 . 4.500 2.743 2.700 2.783 . 0 0 "[ . 1 . 2]" 1
708 1 71 ASN HA 1 74 SER HB3 4.500 . 4.500 3.269 2.908 3.716 . 0 0 "[ . 1 . 2]" 1
709 1 71 ASN HA 1 74 SER H 5.500 . 5.500 3.710 3.518 4.012 . 0 0 "[ . 1 . 2]" 1
710 1 71 ASN HA 1 75 ASP H 5.500 . 5.500 4.425 4.178 4.671 . 0 0 "[ . 1 . 2]" 1
711 1 71 ASN HA 2 5 TRP HH2 3.600 . 3.600 2.886 2.698 3.234 . 0 0 "[ . 1 . 2]" 1
712 1 71 ASN HA 2 5 TRP HZ2 5.500 . 5.500 3.962 3.637 4.293 . 0 0 "[ . 1 . 2]" 1
713 1 71 ASN HA 2 5 TRP HZ3 5.500 . 5.500 2.738 2.604 3.204 . 0 0 "[ . 1 . 2]" 1
714 1 71 ASN HB2 1 72 ASP HA 6.000 . 6.000 4.503 4.389 4.579 . 0 0 "[ . 1 . 2]" 1
715 1 71 ASN HB2 1 74 SER HB3 6.000 . 6.000 5.039 4.746 5.516 . 0 0 "[ . 1 . 2]" 1
716 1 71 ASN HB2 2 5 TRP HH2 4.500 . 4.500 3.211 2.900 3.606 . 0 0 "[ . 1 . 2]" 1
717 1 71 ASN HB2 2 5 TRP HZ2 4.500 . 4.500 4.361 3.994 4.504 0.004 15 0 "[ . 1 . 2]" 1
718 1 71 ASN HB3 1 74 SER HB3 6.000 . 6.000 5.584 5.270 5.992 . 0 0 "[ . 1 . 2]" 1
719 1 71 ASN HB3 2 5 TRP HH2 4.500 . 4.500 2.889 2.289 3.288 . 0 0 "[ . 1 . 2]" 1
720 1 71 ASN HB3 2 5 TRP HZ2 4.500 . 4.500 3.002 2.661 3.220 . 0 0 "[ . 1 . 2]" 1
721 1 71 ASN H 1 71 ASN HD21 5.500 . 5.500 3.052 2.133 4.238 . 0 0 "[ . 1 . 2]" 1
722 1 71 ASN H 2 5 TRP HH2 6.000 . 6.000 4.804 4.367 4.998 . 0 0 "[ . 1 . 2]" 1
723 1 72 ASP HA 1 75 ASP H 5.500 . 5.500 4.021 3.849 4.169 . 0 0 "[ . 1 . 2]" 1
724 1 72 ASP HA 1 76 VAL H 5.500 . 5.500 4.683 4.390 4.919 . 0 0 "[ . 1 . 2]" 1
725 1 72 ASP HB2 1 73 VAL MG2 5.500 . 6.000 3.336 3.176 3.440 . 0 0 "[ . 1 . 2]" 1
726 1 72 ASP HB2 1 73 VAL H 4.500 . 4.500 2.829 2.523 3.005 . 0 0 "[ . 1 . 2]" 1
727 1 72 ASP HB3 1 73 VAL MG2 5.500 . 6.000 3.762 3.565 3.936 . 0 0 "[ . 1 . 2]" 1
728 1 72 ASP HB3 1 73 VAL H 4.500 . 4.500 3.379 2.936 3.626 . 0 0 "[ . 1 . 2]" 1
729 1 73 VAL HA 1 76 VAL HB 4.500 . 4.500 2.879 2.645 3.115 . 0 0 "[ . 1 . 2]" 1
730 1 73 VAL HA 1 76 VAL MG1 4.500 . 5.000 4.035 3.847 4.107 . 0 0 "[ . 1 . 2]" 1
731 1 73 VAL HA 1 76 VAL MG2 4.500 . 5.000 2.355 2.087 2.801 . 0 0 "[ . 1 . 2]" 1
732 1 73 VAL HA 1 76 VAL H 4.500 . 4.500 3.630 3.503 3.714 . 0 0 "[ . 1 . 2]" 1
733 1 73 VAL HA 1 77 ILE MD 5.500 . 6.000 4.027 3.866 4.322 . 0 0 "[ . 1 . 2]" 1
734 1 73 VAL HA 1 77 ILE H 6.000 . 6.000 4.316 4.044 4.619 . 0 0 "[ . 1 . 2]" 1
735 1 73 VAL HB 1 74 SER H 3.600 . 3.600 2.651 2.490 2.859 . 0 0 "[ . 1 . 2]" 1
736 1 73 VAL MG1 1 74 SER H 4.500 . 5.000 3.627 3.575 3.755 . 0 0 "[ . 1 . 2]" 1
737 1 73 VAL MG2 1 74 SER H 4.500 . 5.000 3.739 3.627 3.837 . 0 0 "[ . 1 . 2]" 1
738 1 73 VAL H 1 73 VAL HB 3.600 . 3.600 2.623 2.564 2.710 . 0 0 "[ . 1 . 2]" 1
739 1 73 VAL H 1 73 VAL MG2 4.500 . 5.000 1.959 1.905 2.099 . 0 0 "[ . 1 . 2]" 1
740 1 73 VAL H 1 74 SER HB3 6.000 . 6.000 4.966 4.533 5.335 . 0 0 "[ . 1 . 2]" 1
741 1 73 VAL H 1 74 SER H 3.600 . 3.600 2.616 2.496 2.884 . 0 0 "[ . 1 . 2]" 1
742 1 73 VAL H 1 75 ASP H 6.000 . 6.000 4.722 4.480 4.969 . 0 0 "[ . 1 . 2]" 1
743 1 74 SER HA 1 77 ILE HB 4.500 . 4.500 3.288 3.138 3.448 . 0 0 "[ . 1 . 2]" 1
744 1 74 SER HA 1 77 ILE MD 3.600 . 4.100 1.982 1.869 2.114 . 0 0 "[ . 1 . 2]" 1
745 1 74 SER HA 1 77 ILE H 5.500 . 5.500 3.540 3.430 3.723 . 0 0 "[ . 1 . 2]" 1
746 1 74 SER HB2 1 75 ASP H 4.500 . 4.500 3.554 3.378 3.800 . 0 0 "[ . 1 . 2]" 1
747 1 74 SER HB2 2 5 TRP HE3 5.500 . 5.500 2.157 1.983 2.524 . 0 0 "[ . 1 . 2]" 1
748 1 74 SER HB2 2 5 TRP HZ3 5.500 . 5.500 2.883 2.415 3.573 . 0 0 "[ . 1 . 2]" 1
749 1 74 SER HB3 1 75 ASP H 3.600 . 3.600 2.127 2.010 2.354 . 0 0 "[ . 1 . 2]" 1
750 1 74 SER HB3 2 5 TRP HE3 5.500 . 5.500 3.369 2.952 3.803 . 0 0 "[ . 1 . 2]" 1
751 1 74 SER HB3 2 5 TRP HZ3 5.500 . 5.500 2.644 2.169 3.281 . 0 0 "[ . 1 . 2]" 1
752 1 74 SER H 1 74 SER HB2 3.600 . 3.600 2.410 2.218 2.720 . 0 0 "[ . 1 . 2]" 1
753 1 74 SER H 1 74 SER HB3 3.600 . 3.600 2.675 2.366 2.901 . 0 0 "[ . 1 . 2]" 1
754 1 74 SER H 1 75 ASP H 4.500 . 4.500 3.005 2.916 3.114 . 0 0 "[ . 1 . 2]" 1
755 1 75 ASP HA 1 77 ILE H 6.000 . 6.000 4.618 4.476 4.773 . 0 0 "[ . 1 . 2]" 1
756 1 75 ASP HA 1 78 LYS H 5.500 . 5.500 3.564 3.429 3.701 . 0 0 "[ . 1 . 2]" 1
757 1 75 ASP HB2 1 76 VAL H 4.500 . 4.500 3.871 3.558 4.056 . 0 0 "[ . 1 . 2]" 1
758 1 75 ASP HB3 1 76 VAL H 4.500 . 4.500 4.033 3.899 4.186 . 0 0 "[ . 1 . 2]" 1
759 1 75 ASP H 1 75 ASP HB3 3.600 . 3.600 2.492 2.388 2.679 . 0 0 "[ . 1 . 2]" 1
760 1 75 ASP H 1 76 VAL MG2 5.500 . 6.000 4.111 3.980 4.221 . 0 0 "[ . 1 . 2]" 1
761 1 75 ASP H 1 76 VAL H 3.600 . 3.600 2.824 2.755 2.886 . 0 0 "[ . 1 . 2]" 1
762 1 76 VAL HA 1 79 ARG H 4.500 . 4.500 3.181 3.079 3.327 . 0 0 "[ . 1 . 2]" 1
763 1 76 VAL HA 1 80 GLU HG3 5.500 . 5.500 4.068 3.591 4.585 . 0 0 "[ . 1 . 2]" 1
764 1 76 VAL HA 1 80 GLU HG2 6.000 . 6.000 3.302 2.639 4.922 . 0 0 "[ . 1 . 2]" 1
765 1 76 VAL HA 1 80 GLU H 5.500 . 5.500 3.130 2.702 3.488 . 0 0 "[ . 1 . 2]" 1
766 1 76 VAL MG1 1 77 ILE HA 4.500 . 5.000 3.638 3.510 3.706 . 0 0 "[ . 1 . 2]" 1
767 1 76 VAL MG1 1 79 ARG H 5.500 . 6.000 4.204 4.046 4.340 . 0 0 "[ . 1 . 2]" 1
768 1 76 VAL MG1 1 80 GLU HB2 3.600 . 4.100 2.719 1.946 3.236 . 0 0 "[ . 1 . 2]" 1
769 1 76 VAL MG1 1 80 GLU HG3 4.500 . 5.000 2.585 1.957 3.863 . 0 0 "[ . 1 . 2]" 1
770 1 76 VAL MG1 1 80 GLU HG2 3.600 . 4.100 2.681 2.154 3.346 . 0 0 "[ . 1 . 2]" 1
771 1 76 VAL MG1 1 80 GLU H 4.500 . 5.000 3.165 2.915 3.395 . 0 0 "[ . 1 . 2]" 1
772 1 76 VAL MG2 1 77 ILE H 4.500 . 5.000 3.723 3.677 3.791 . 0 0 "[ . 1 . 2]" 1
773 1 76 VAL MG2 1 80 GLU HG3 6.000 . 6.500 4.438 3.832 5.295 . 0 0 "[ . 1 . 2]" 1
774 1 76 VAL MG2 1 80 GLU HG2 6.000 . 6.500 4.392 3.935 4.922 . 0 0 "[ . 1 . 2]" 1
775 1 76 VAL H 1 76 VAL HB 3.600 . 3.600 2.594 2.537 2.652 . 0 0 "[ . 1 . 2]" 1
776 1 76 VAL H 1 76 VAL MG2 4.500 . 5.000 2.090 1.968 2.353 . 0 0 "[ . 1 . 2]" 1
777 1 76 VAL H 1 77 ILE H 3.600 . 3.600 2.665 2.542 2.796 . 0 0 "[ . 1 . 2]" 1
778 1 76 VAL H 1 78 LYS H 6.000 . 6.000 3.955 3.794 4.182 . 0 0 "[ . 1 . 2]" 1
779 1 77 ILE HA 1 79 ARG H 5.500 . 5.500 4.072 3.872 4.278 . 0 0 "[ . 1 . 2]" 1
780 1 77 ILE HA 1 80 GLU H 5.500 . 5.500 4.148 3.864 4.483 . 0 0 "[ . 1 . 2]" 1
781 1 77 ILE HA 1 83 LEU MD1 4.500 . 5.000 2.143 1.942 2.651 . 0 0 "[ . 1 . 2]" 1
782 1 77 ILE HA 1 83 LEU MD2 3.600 . 4.100 2.182 1.963 2.716 . 0 0 "[ . 1 . 2]" 1
783 1 77 ILE MD 2 7 VAL HA 5.500 . 6.000 4.512 3.546 4.851 . 0 0 "[ . 1 . 2]" 1
784 1 77 ILE MD 2 7 VAL HB 4.500 . 5.000 2.484 2.038 2.796 . 0 0 "[ . 1 . 2]" 1
785 1 77 ILE MD 2 7 VAL QG 4.500 . 5.500 1.956 1.793 2.531 0.007 12 0 "[ . 1 . 2]" 1
786 1 77 ILE HG13 1 83 LEU MD1 3.600 . 4.100 2.958 2.484 3.300 . 0 0 "[ . 1 . 2]" 1
787 1 77 ILE HG13 1 83 LEU MD2 4.500 . 5.000 3.829 3.606 3.957 . 0 0 "[ . 1 . 2]" 1
788 1 77 ILE MG 1 78 LYS HA 4.500 . 5.000 3.744 3.569 3.860 . 0 0 "[ . 1 . 2]" 1
789 1 77 ILE MG 2 7 VAL HB 5.500 . 6.000 4.274 3.295 4.752 . 0 0 "[ . 1 . 2]" 1
790 1 77 ILE H 1 77 ILE HB 3.600 . 3.600 2.635 2.604 2.669 . 0 0 "[ . 1 . 2]" 1
791 1 77 ILE H 1 77 ILE MD 3.600 . 4.100 2.942 2.788 3.170 . 0 0 "[ . 1 . 2]" 1
792 1 77 ILE H 1 78 LYS H 4.500 . 4.500 2.686 2.639 2.753 . 0 0 "[ . 1 . 2]" 1
793 1 78 LYS HA 1 80 GLU H 6.000 . 6.000 4.952 4.693 5.429 . 0 0 "[ . 1 . 2]" 1
794 1 78 LYS H 1 79 ARG H 3.600 . 3.600 2.288 2.182 2.461 . 0 0 "[ . 1 . 2]" 1
795 1 78 LYS H 1 80 GLU H 6.000 . 6.000 4.240 4.065 4.389 . 0 0 "[ . 1 . 2]" 1
796 1 79 ARG QG 1 80 GLU HG3 5.500 . 5.500 3.968 2.694 4.655 . 0 0 "[ . 1 . 2]" 1
797 1 79 ARG H 1 80 GLU HA 6.000 . 6.000 4.947 4.871 5.102 . 0 0 "[ . 1 . 2]" 1
798 1 79 ARG H 1 80 GLU HG3 5.500 . 5.500 5.515 5.479 5.539 0.039 15 0 "[ . 1 . 2]" 1
799 1 79 ARG H 1 80 GLU H 3.600 . 3.600 2.331 2.240 2.554 . 0 0 "[ . 1 . 2]" 1
800 1 80 GLU HA 1 81 SER H 3.600 . 3.600 2.227 2.145 2.432 . 0 0 "[ . 1 . 2]" 1
801 1 80 GLU HA 1 83 LEU MD2 6.000 . 6.500 4.255 4.004 4.520 . 0 0 "[ . 1 . 2]" 1
802 1 80 GLU HB2 1 81 SER HA 6.000 . 6.000 4.885 4.573 5.246 . 0 0 "[ . 1 . 2]" 1
803 1 80 GLU HB2 1 81 SER H 4.500 . 4.500 3.810 3.263 4.272 . 0 0 "[ . 1 . 2]" 1
804 1 80 GLU HB2 1 82 THR H 4.500 . 4.500 3.995 3.589 4.511 0.011 15 0 "[ . 1 . 2]" 1
805 1 80 GLU HB2 1 83 LEU MD2 3.600 . 4.100 2.251 1.926 2.794 . 0 0 "[ . 1 . 2]" 1
806 1 80 GLU HB3 1 81 SER H 3.600 . 3.600 3.031 2.454 3.360 . 0 0 "[ . 1 . 2]" 1
807 1 80 GLU HB3 1 82 THR H 3.600 . 3.600 3.228 3.096 3.329 . 0 0 "[ . 1 . 2]" 1
808 1 80 GLU HB3 1 83 LEU MD2 4.500 . 5.000 3.261 2.723 3.636 . 0 0 "[ . 1 . 2]" 1
809 1 80 GLU HG3 1 83 LEU MD2 6.000 . 6.500 3.826 3.358 5.119 . 0 0 "[ . 1 . 2]" 1
810 1 80 GLU HG2 1 82 THR H 6.000 . 6.000 5.855 5.026 6.017 0.017 8 0 "[ . 1 . 2]" 1
811 1 80 GLU HG2 1 83 LEU MD2 5.500 . 6.000 4.015 3.562 4.631 . 0 0 "[ . 1 . 2]" 1
812 1 80 GLU H 1 80 GLU HB2 3.600 . 3.600 2.698 2.377 2.897 . 0 0 "[ . 1 . 2]" 1
813 1 80 GLU H 1 80 GLU HG3 3.600 . 3.600 3.489 3.120 3.619 0.019 18 0 "[ . 1 . 2]" 1
814 1 80 GLU H 1 80 GLU HG2 4.500 . 4.500 2.430 1.970 4.197 . 0 0 "[ . 1 . 2]" 1
815 1 80 GLU H 1 83 LEU MD2 4.500 . 5.000 3.534 3.198 4.041 . 0 0 "[ . 1 . 2]" 1
816 1 81 SER HA 1 100 PRO HG3 5.500 . 5.500 4.400 3.972 5.506 0.006 4 0 "[ . 1 . 2]" 1
817 1 81 SER H 1 82 THR H 3.600 . 3.600 2.338 2.068 2.565 . 0 0 "[ . 1 . 2]" 1
818 1 81 SER H 1 83 LEU MD2 5.500 . 6.000 4.125 3.905 4.451 . 0 0 "[ . 1 . 2]" 1
819 1 82 THR HA 1 83 LEU HA 6.000 . 6.000 4.411 4.386 4.443 . 0 0 "[ . 1 . 2]" 1
820 1 82 THR HA 1 83 LEU H 3.600 . 3.600 2.174 2.141 2.216 . 0 0 "[ . 1 . 2]" 1
821 1 82 THR HA 1 99 ILE MD 3.600 . 4.100 2.105 1.843 2.390 . 0 0 "[ . 1 . 2]" 1
822 1 82 THR HA 1 99 ILE HG12 5.500 . 5.500 4.355 3.372 4.990 . 0 0 "[ . 1 . 2]" 1
823 1 82 THR HA 1 99 ILE MG 4.500 . 5.000 3.295 2.556 3.897 . 0 0 "[ . 1 . 2]" 1
824 1 82 THR HA 1 100 PRO HD3 5.500 . 5.500 4.784 4.312 5.356 . 0 0 "[ . 1 . 2]" 1
825 1 82 THR HA 1 100 PRO HD2 6.000 . 6.000 3.753 3.222 4.637 . 0 0 "[ . 1 . 2]" 1
826 1 82 THR HB 1 99 ILE MD 4.500 . 5.000 3.174 2.589 3.987 . 0 0 "[ . 1 . 2]" 1
827 1 82 THR HB 1 99 ILE HG12 6.000 . 6.000 5.538 3.851 6.004 0.004 7 0 "[ . 1 . 2]" 1
828 1 82 THR H 1 82 THR HB 3.600 . 3.600 3.366 2.997 3.631 0.031 15 0 "[ . 1 . 2]" 1
829 1 82 THR H 1 82 THR MG 4.500 . 5.000 2.668 1.937 3.457 . 0 0 "[ . 1 . 2]" 1
830 1 82 THR H 1 83 LEU MD2 4.500 . 5.000 3.533 3.400 3.731 . 0 0 "[ . 1 . 2]" 1
831 1 82 THR H 1 83 LEU HG 6.000 . 6.000 4.931 4.604 5.161 . 0 0 "[ . 1 . 2]" 1
832 1 82 THR H 1 99 ILE MD 5.500 . 6.000 4.537 4.216 4.908 . 0 0 "[ . 1 . 2]" 1
833 1 83 LEU HA 1 83 LEU MD2 3.600 . 4.100 2.174 1.981 2.294 . 0 0 "[ . 1 . 2]" 1
834 1 83 LEU HA 1 84 ASN H 3.600 . 3.600 2.160 2.125 2.295 . 0 0 "[ . 1 . 2]" 1
835 1 83 LEU HA 1 85 MET ME 4.500 . 5.000 3.724 3.348 4.058 . 0 0 "[ . 1 . 2]" 1
836 1 83 LEU HB2 1 85 MET ME 4.500 . 5.000 2.033 1.843 2.349 . 0 0 "[ . 1 . 2]" 1
837 1 83 LEU HB2 1 98 VAL H 4.500 . 4.500 3.157 2.730 3.940 . 0 0 "[ . 1 . 2]" 1
838 1 83 LEU HB3 1 85 MET ME 5.500 . 6.000 2.021 1.825 2.227 . 0 0 "[ . 1 . 2]" 1
839 1 83 LEU MD1 1 85 MET ME 3.600 . 4.600 2.235 1.919 2.768 . 0 0 "[ . 1 . 2]" 1
840 1 83 LEU MD1 1 99 ILE HA 5.500 . 6.000 4.048 3.600 4.476 . 0 0 "[ . 1 . 2]" 1
841 1 83 LEU MD1 1 100 PRO HD2 4.500 . 5.000 3.372 3.031 3.686 . 0 0 "[ . 1 . 2]" 1
842 1 83 LEU MD1 1 100 PRO HG2 4.500 . 5.000 3.605 2.260 4.020 . 0 0 "[ . 1 . 2]" 1
843 1 83 LEU MD2 1 85 MET ME 5.500 . 6.500 3.647 3.435 3.942 . 0 0 "[ . 1 . 2]" 1
844 1 83 LEU MD2 1 100 PRO HD3 5.500 . 6.000 3.533 3.229 3.931 . 0 0 "[ . 1 . 2]" 1
845 1 83 LEU MD2 1 100 PRO HD2 5.500 . 6.000 3.593 3.266 3.924 . 0 0 "[ . 1 . 2]" 1
846 1 83 LEU MD2 1 100 PRO HG3 5.500 . 6.000 3.350 2.841 4.283 . 0 0 "[ . 1 . 2]" 1
847 1 83 LEU MD2 1 100 PRO HG2 5.500 . 6.000 4.031 3.217 4.449 . 0 0 "[ . 1 . 2]" 1
848 1 83 LEU HG 1 99 ILE HA 5.500 . 5.500 3.201 2.867 3.559 . 0 0 "[ . 1 . 2]" 1
849 1 83 LEU HG 1 100 PRO HD3 5.500 . 5.500 2.125 1.956 2.830 . 0 0 "[ . 1 . 2]" 1
850 1 83 LEU HG 1 100 PRO HD2 5.500 . 5.500 2.602 2.330 3.131 . 0 0 "[ . 1 . 2]" 1
851 1 83 LEU H 1 83 LEU MD1 4.500 . 5.000 3.809 3.557 4.009 . 0 0 "[ . 1 . 2]" 1
852 1 83 LEU H 1 83 LEU HG 3.600 . 3.600 2.273 2.007 2.546 . 0 0 "[ . 1 . 2]" 1
853 1 83 LEU H 1 97 THR HA 6.000 . 6.000 5.339 4.908 5.949 . 0 0 "[ . 1 . 2]" 1
854 1 83 LEU H 1 98 VAL H 4.500 . 4.500 3.862 3.224 4.341 . 0 0 "[ . 1 . 2]" 1
855 1 83 LEU H 1 99 ILE HA 4.500 . 4.500 2.992 2.740 3.229 . 0 0 "[ . 1 . 2]" 1
856 1 83 LEU H 1 100 PRO HD3 5.500 . 5.500 3.688 3.037 4.108 . 0 0 "[ . 1 . 2]" 1
857 1 84 ASN HA 1 85 MET H 3.600 . 3.600 2.247 2.190 2.307 . 0 0 "[ . 1 . 2]" 1
858 1 84 ASN HA 1 97 THR HA 4.500 . 4.500 2.192 1.968 2.436 . 0 0 "[ . 1 . 2]" 1
859 1 84 ASN HA 1 97 THR MG 4.500 . 5.000 3.068 2.307 3.576 . 0 0 "[ . 1 . 2]" 1
860 1 84 ASN HA 1 97 THR H 6.000 . 6.000 4.784 4.522 5.062 . 0 0 "[ . 1 . 2]" 1
861 1 84 ASN HA 1 98 VAL H 4.500 . 4.500 3.237 2.733 3.701 . 0 0 "[ . 1 . 2]" 1
862 1 84 ASN HB2 1 97 THR HA 6.000 . 6.000 4.931 4.500 5.226 . 0 0 "[ . 1 . 2]" 1
863 1 84 ASN HB3 1 97 THR HA 6.000 . 6.000 4.177 3.503 4.737 . 0 0 "[ . 1 . 2]" 1
864 1 84 ASN HD21 1 97 THR MG 4.500 . 5.000 3.307 2.412 3.882 . 0 0 "[ . 1 . 2]" 1
865 1 84 ASN HD22 1 97 THR MG 4.500 . 5.000 2.534 2.026 3.097 . 0 0 "[ . 1 . 2]" 1
866 1 84 ASN H 1 84 ASN HB2 3.600 . 3.600 2.623 2.427 2.910 . 0 0 "[ . 1 . 2]" 1
867 1 84 ASN H 1 84 ASN HD21 6.000 . 6.000 2.910 2.257 4.581 . 0 0 "[ . 1 . 2]" 1
868 1 84 ASN H 1 84 ASN HD22 6.000 . 6.000 4.379 3.819 5.084 . 0 0 "[ . 1 . 2]" 1
869 1 85 MET HA 1 85 MET ME 5.500 . 6.000 4.424 4.007 4.675 . 0 0 "[ . 1 . 2]" 1
870 1 85 MET HA 1 86 VAL MG2 5.500 . 6.000 3.392 3.159 3.582 . 0 0 "[ . 1 . 2]" 1
871 1 85 MET HA 1 86 VAL H 3.600 . 3.600 2.253 2.146 2.509 . 0 0 "[ . 1 . 2]" 1
872 1 85 MET HB2 1 96 ILE HB 5.500 . 5.500 3.270 2.807 3.628 . 0 0 "[ . 1 . 2]" 1
873 1 85 MET HB2 1 96 ILE MG 6.000 . 6.500 4.192 3.724 4.666 . 0 0 "[ . 1 . 2]" 1
874 1 85 MET HB3 1 86 VAL H 4.500 . 4.500 2.876 2.256 3.284 . 0 0 "[ . 1 . 2]" 1
875 1 85 MET ME 1 96 ILE MG 6.000 . 7.000 4.262 3.649 4.598 . 0 0 "[ . 1 . 2]" 1
876 1 85 MET ME 1 97 THR HA 5.500 . 6.000 4.078 3.186 4.629 . 0 0 "[ . 1 . 2]" 1
877 1 85 MET ME 1 98 VAL HA 5.500 . 6.000 4.411 4.092 4.800 . 0 0 "[ . 1 . 2]" 1
878 1 85 MET ME 1 98 VAL H 4.500 . 5.000 3.022 2.231 3.442 . 0 0 "[ . 1 . 2]" 1
879 1 85 MET ME 1 100 PRO HD2 6.000 . 6.500 5.459 5.351 5.489 . 0 0 "[ . 1 . 2]" 1
880 1 85 MET H 1 96 ILE HB 5.500 . 5.500 3.742 3.284 4.087 . 0 0 "[ . 1 . 2]" 1
881 1 85 MET H 1 96 ILE H 5.500 . 5.500 4.159 3.856 4.400 . 0 0 "[ . 1 . 2]" 1
882 1 85 MET H 1 97 THR HA 4.500 . 4.500 3.269 2.866 3.647 . 0 0 "[ . 1 . 2]" 1
883 1 85 MET H 1 97 THR MG 6.000 . 6.500 4.754 4.048 5.199 . 0 0 "[ . 1 . 2]" 1
884 1 85 MET H 1 97 THR H 6.000 . 6.000 5.085 4.815 5.265 . 0 0 "[ . 1 . 2]" 1
885 1 85 MET H 1 98 VAL H 5.500 . 5.500 3.867 3.449 4.301 . 0 0 "[ . 1 . 2]" 1
886 1 86 VAL HA 1 87 VAL MG2 4.500 . 5.000 3.474 3.338 3.733 . 0 0 "[ . 1 . 2]" 1
887 1 86 VAL HA 1 87 VAL H 3.600 . 3.600 2.170 2.147 2.254 . 0 0 "[ . 1 . 2]" 1
888 1 86 VAL HA 1 94 ILE H 6.000 . 6.000 4.815 4.587 5.034 . 0 0 "[ . 1 . 2]" 1
889 1 86 VAL HA 1 95 MET HA 4.500 . 4.500 2.384 2.097 2.647 . 0 0 "[ . 1 . 2]" 1
890 1 86 VAL HA 1 96 ILE H 4.500 . 4.500 2.518 2.028 2.774 . 0 0 "[ . 1 . 2]" 1
891 1 86 VAL MG1 1 87 VAL H 3.600 . 4.100 2.513 2.106 2.786 . 0 0 "[ . 1 . 2]" 1
892 1 86 VAL MG1 1 93 ASP HA 5.500 . 6.000 3.946 3.717 4.304 . 0 0 "[ . 1 . 2]" 1
893 1 86 VAL MG1 1 94 ILE HG13 6.000 . 6.500 5.071 4.882 5.371 . 0 0 "[ . 1 . 2]" 1
894 1 86 VAL MG1 1 95 MET HA 4.500 . 5.000 2.487 2.011 2.986 . 0 0 "[ . 1 . 2]" 1
895 1 86 VAL MG1 1 96 ILE H 5.500 . 6.000 3.962 3.576 4.287 . 0 0 "[ . 1 . 2]" 1
896 1 86 VAL MG2 1 95 MET HA 4.500 . 5.000 2.575 2.116 2.987 . 0 0 "[ . 1 . 2]" 1
897 1 86 VAL MG2 1 95 MET ME 3.600 . 4.600 2.227 1.855 2.732 . 0 0 "[ . 1 . 2]" 1
898 1 86 VAL H 1 86 VAL HB 3.600 . 3.600 2.692 2.612 2.872 . 0 0 "[ . 1 . 2]" 1
899 1 86 VAL H 1 86 VAL MG2 4.500 . 5.000 2.551 2.268 2.825 . 0 0 "[ . 1 . 2]" 1
900 1 87 VAL HA 1 88 ARG H 3.600 . 3.600 2.327 2.158 2.589 . 0 0 "[ . 1 . 2]" 1
901 1 87 VAL MG1 1 88 ARG H 3.600 . 4.100 2.230 1.907 3.418 . 0 0 "[ . 1 . 2]" 1
902 1 87 VAL MG2 1 96 ILE H 6.000 . 6.500 4.150 3.603 4.604 . 0 0 "[ . 1 . 2]" 1
903 1 87 VAL H 1 87 VAL MG2 4.500 . 5.000 2.474 1.976 2.832 . 0 0 "[ . 1 . 2]" 1
904 1 87 VAL H 1 93 ASP HA 6.000 . 6.000 5.346 4.822 5.756 . 0 0 "[ . 1 . 2]" 1
905 1 87 VAL H 1 94 ILE HG13 5.500 . 5.500 5.523 5.509 5.549 0.049 8 0 "[ . 1 . 2]" 1
906 1 87 VAL H 1 94 ILE H 4.500 . 4.500 3.495 3.221 3.723 . 0 0 "[ . 1 . 2]" 1
907 1 87 VAL H 1 95 MET HA 5.500 . 5.500 3.604 3.316 3.940 . 0 0 "[ . 1 . 2]" 1
908 1 87 VAL H 1 96 ILE MD 5.500 . 6.000 3.161 1.967 4.206 . 0 0 "[ . 1 . 2]" 1
909 1 87 VAL H 1 96 ILE MG 6.000 . 6.500 5.445 5.410 5.469 . 0 0 "[ . 1 . 2]" 1
910 1 87 VAL H 1 96 ILE H 5.500 . 5.500 3.793 3.502 4.122 . 0 0 "[ . 1 . 2]" 1
911 1 88 ARG HA 1 88 ARG HD3 4.500 . 4.500 3.669 2.103 4.449 . 0 0 "[ . 1 . 2]" 1
912 1 88 ARG HA 1 88 ARG HD2 4.500 . 4.500 3.611 2.756 4.506 0.006 5 0 "[ . 1 . 2]" 1
913 1 88 ARG HA 1 89 ARG H 3.600 . 3.600 2.160 2.132 2.225 . 0 0 "[ . 1 . 2]" 1
914 1 88 ARG HA 1 92 GLU H 6.000 . 6.000 4.831 4.421 5.163 . 0 0 "[ . 1 . 2]" 1
915 1 88 ARG HA 1 93 ASP HA 4.500 . 4.500 2.364 1.968 2.791 . 0 0 "[ . 1 . 2]" 1
916 1 88 ARG HA 1 94 ILE MD 4.500 . 5.000 3.262 1.957 4.002 . 0 0 "[ . 1 . 2]" 1
917 1 88 ARG HA 1 94 ILE H 5.500 . 5.500 3.039 2.713 3.329 . 0 0 "[ . 1 . 2]" 1
918 1 89 ARG HA 1 89 ARG HE 6.000 . 6.000 4.993 4.190 5.944 . 0 0 "[ . 1 . 2]" 1
919 1 89 ARG HA 1 90 GLY HA2 6.000 . 6.000 4.401 4.382 4.440 . 0 0 "[ . 1 . 2]" 1
920 1 89 ARG HA 1 90 GLY HA3 6.000 . 6.000 4.431 4.393 4.485 . 0 0 "[ . 1 . 2]" 1
921 1 89 ARG HA 1 90 GLY H 3.600 . 3.600 2.168 2.144 2.217 . 0 0 "[ . 1 . 2]" 1
922 1 89 ARG HA 1 94 ILE MD 4.500 . 5.000 3.912 3.551 4.128 . 0 0 "[ . 1 . 2]" 1
923 1 89 ARG QD 1 94 ILE MD 4.500 . 5.000 2.128 1.828 2.660 . 0 0 "[ . 1 . 2]" 1
924 1 89 ARG HE 1 94 ILE MD 6.000 . 6.500 3.814 1.819 4.731 . 0 0 "[ . 1 . 2]" 1
925 1 89 ARG H 1 92 GLU H 4.500 . 4.500 3.450 3.220 3.664 . 0 0 "[ . 1 . 2]" 1
926 1 89 ARG H 1 93 ASP HA 5.500 . 5.500 3.439 3.061 3.805 . 0 0 "[ . 1 . 2]" 1
927 1 89 ARG H 1 94 ILE MD 4.500 . 5.000 2.474 1.964 3.056 . 0 0 "[ . 1 . 2]" 1
928 1 89 ARG H 1 94 ILE H 6.000 . 6.000 4.153 3.684 4.621 . 0 0 "[ . 1 . 2]" 1
929 1 90 GLY HA2 1 92 GLU H 6.000 . 6.000 4.849 4.737 4.907 . 0 0 "[ . 1 . 2]" 1
930 1 90 GLY HA3 1 92 GLU H 4.500 . 4.500 3.826 3.703 3.931 . 0 0 "[ . 1 . 2]" 1
931 1 90 GLY H 1 94 ILE MD 6.000 . 6.500 5.197 5.002 5.371 . 0 0 "[ . 1 . 2]" 1
932 1 91 ASN HA 1 92 GLU H 3.600 . 3.600 2.973 2.920 3.044 . 0 0 "[ . 1 . 2]" 1
933 1 91 ASN H 1 91 ASN HD21 6.000 . 6.000 4.796 4.526 4.916 . 0 0 "[ . 1 . 2]" 1
934 1 91 ASN H 1 91 ASN HD22 6.000 . 6.000 5.992 5.871 6.047 0.047 12 0 "[ . 1 . 2]" 1
935 1 91 ASN H 1 92 GLU HA 5.500 . 5.500 4.609 4.569 4.751 . 0 0 "[ . 1 . 2]" 1
936 1 91 ASN H 1 92 GLU H 3.600 . 3.600 2.222 2.059 2.473 . 0 0 "[ . 1 . 2]" 1
937 1 92 GLU HA 1 93 ASP H 3.600 . 3.600 2.327 2.228 2.457 . 0 0 "[ . 1 . 2]" 1
938 1 93 ASP HA 1 94 ILE HA 5.500 . 5.500 4.413 4.403 4.426 . 0 0 "[ . 1 . 2]" 1
939 1 93 ASP HA 1 94 ILE MD 4.500 . 5.000 3.842 3.124 4.099 . 0 0 "[ . 1 . 2]" 1
940 1 93 ASP HA 1 94 ILE HG13 6.000 . 6.000 3.372 3.248 3.501 . 0 0 "[ . 1 . 2]" 1
941 1 93 ASP HA 1 94 ILE HG12 6.000 . 6.000 5.101 4.978 5.218 . 0 0 "[ . 1 . 2]" 1
942 1 93 ASP HA 1 94 ILE H 3.600 . 3.600 2.213 2.161 2.285 . 0 0 "[ . 1 . 2]" 1
943 1 94 ILE HA 1 95 MET HA 5.500 . 5.500 4.372 4.355 4.389 . 0 0 "[ . 1 . 2]" 1
944 1 94 ILE HA 1 95 MET ME 6.000 . 6.500 4.566 3.293 5.417 . 0 0 "[ . 1 . 2]" 1
945 1 94 ILE HA 1 95 MET H 3.600 . 3.600 2.218 2.142 2.361 . 0 0 "[ . 1 . 2]" 1
946 1 94 ILE HB 1 95 MET H 4.500 . 4.500 3.802 3.421 4.090 . 0 0 "[ . 1 . 2]" 1
947 1 94 ILE HB 1 96 ILE MD 3.600 . 4.100 2.677 2.213 3.191 . 0 0 "[ . 1 . 2]" 1
948 1 94 ILE MG 1 95 MET H 4.500 . 5.000 2.173 1.906 2.530 . 0 0 "[ . 1 . 2]" 1
949 1 94 ILE H 1 94 ILE MD 4.500 . 5.000 3.194 2.654 3.477 . 0 0 "[ . 1 . 2]" 1
950 1 94 ILE H 1 94 ILE HG13 4.500 . 4.500 2.706 2.575 2.922 . 0 0 "[ . 1 . 2]" 1
951 1 94 ILE H 1 94 ILE HG12 4.500 . 4.500 4.148 4.065 4.242 . 0 0 "[ . 1 . 2]" 1
952 1 95 MET HA 1 95 MET ME 4.500 . 5.000 3.697 3.149 4.172 . 0 0 "[ . 1 . 2]" 1
953 1 95 MET HA 1 96 ILE HA 5.500 . 5.500 4.396 4.390 4.414 . 0 0 "[ . 1 . 2]" 1
954 1 95 MET HA 1 96 ILE HB 5.500 . 5.500 4.754 4.635 4.865 . 0 0 "[ . 1 . 2]" 1
955 1 95 MET HA 1 96 ILE MD 5.500 . 6.000 3.477 2.698 4.133 . 0 0 "[ . 1 . 2]" 1
956 1 95 MET HA 1 96 ILE MG 6.000 . 6.500 5.445 5.399 5.470 . 0 0 "[ . 1 . 2]" 1
957 1 95 MET HA 1 96 ILE H 3.600 . 3.600 2.151 2.141 2.208 . 0 0 "[ . 1 . 2]" 1
958 1 96 ILE HA 1 96 ILE MD 3.600 . 4.100 2.599 1.972 3.379 . 0 0 "[ . 1 . 2]" 1
959 1 96 ILE HA 1 97 THR HA 6.000 . 6.000 4.401 4.379 4.450 . 0 0 "[ . 1 . 2]" 1
960 1 96 ILE HA 1 97 THR H 3.600 . 3.600 2.188 2.135 2.292 . 0 0 "[ . 1 . 2]" 1
961 1 96 ILE MG 1 97 THR HA 5.500 . 6.000 3.855 3.521 4.075 . 0 0 "[ . 1 . 2]" 1
962 1 96 ILE MG 1 97 THR H 3.600 . 4.100 2.351 1.935 2.823 . 0 0 "[ . 1 . 2]" 1
963 1 96 ILE MG 1 98 VAL H 5.500 . 6.000 4.317 3.945 4.676 . 0 0 "[ . 1 . 2]" 1
964 1 96 ILE H 1 96 ILE HB 3.600 . 3.600 2.745 2.616 2.865 . 0 0 "[ . 1 . 2]" 1
965 1 96 ILE H 1 96 ILE MD 4.500 . 5.000 2.907 2.123 3.565 . 0 0 "[ . 1 . 2]" 1
966 1 97 THR HA 1 98 VAL HA 6.000 . 6.000 4.407 4.394 4.446 . 0 0 "[ . 1 . 2]" 1
967 1 97 THR HA 1 98 VAL MG2 4.500 . 5.000 3.520 3.280 3.665 . 0 0 "[ . 1 . 2]" 1
968 1 97 THR HA 1 98 VAL H 3.600 . 3.600 2.158 2.137 2.210 . 0 0 "[ . 1 . 2]" 1
969 1 97 THR MG 1 98 VAL H 3.600 . 4.100 2.738 2.169 2.988 . 0 0 "[ . 1 . 2]" 1
970 1 97 THR H 1 97 THR HB 3.600 . 3.600 2.742 2.565 2.960 . 0 0 "[ . 1 . 2]" 1
971 1 97 THR H 1 98 VAL MG2 5.500 . 6.000 3.690 3.467 3.944 . 0 0 "[ . 1 . 2]" 1
972 1 98 VAL HA 1 99 ILE H 3.600 . 3.600 2.187 2.144 2.284 . 0 0 "[ . 1 . 2]" 1
973 1 98 VAL MG1 1 99 ILE HA 5.500 . 6.000 3.793 3.612 3.943 . 0 0 "[ . 1 . 2]" 1
974 1 98 VAL MG1 1 99 ILE H 3.600 . 4.100 2.356 1.946 2.856 . 0 0 "[ . 1 . 2]" 1
975 1 98 VAL MG1 1 100 PRO HA 6.000 . 6.500 3.873 3.755 4.000 . 0 0 "[ . 1 . 2]" 1
976 1 98 VAL MG1 1 100 PRO HD2 6.000 . 6.500 4.688 4.420 4.923 . 0 0 "[ . 1 . 2]" 1
977 1 99 ILE HA 1 99 ILE MD 3.600 . 4.100 2.243 1.964 2.701 . 0 0 "[ . 1 . 2]" 1
978 1 99 ILE HA 1 100 PRO HD3 3.600 . 3.600 2.520 2.135 2.657 . 0 0 "[ . 1 . 2]" 1
979 1 99 ILE HA 1 100 PRO HD2 3.600 . 3.600 1.995 1.881 2.344 . 0 0 "[ . 1 . 2]" 1
980 1 99 ILE HA 1 100 PRO HG3 5.500 . 5.500 4.409 4.312 4.430 . 0 0 "[ . 1 . 2]" 1
981 1 99 ILE HA 1 100 PRO HG2 5.500 . 5.500 4.165 4.056 4.407 . 0 0 "[ . 1 . 2]" 1
982 1 99 ILE H 1 99 ILE HB 3.600 . 3.600 2.663 2.492 2.837 . 0 0 "[ . 1 . 2]" 1
983 1 99 ILE H 1 99 ILE MD 4.500 . 5.000 3.106 2.242 3.663 . 0 0 "[ . 1 . 2]" 1
984 1 99 ILE H 1 99 ILE HG13 4.500 . 4.500 4.041 3.832 4.220 . 0 0 "[ . 1 . 2]" 1
985 1 99 ILE H 1 99 ILE HG12 5.500 . 5.500 3.063 2.355 4.326 . 0 0 "[ . 1 . 2]" 1
986 1 100 PRO HA 1 101 GLU H 3.600 . 3.600 2.292 2.149 2.614 . 0 0 "[ . 1 . 2]" 1
987 1 101 GLU HA 1 102 GLU H 3.600 . 3.600 2.525 2.287 2.654 . 0 0 "[ . 1 . 2]" 1
988 1 102 GLU HA 1 103 ILE MG 6.000 . 6.500 3.656 3.548 3.825 . 0 0 "[ . 1 . 2]" 1
989 1 103 ILE HB 1 104 ASP H 4.500 . 4.500 4.060 3.845 4.357 . 0 0 "[ . 1 . 2]" 1
990 1 103 ILE MD 1 104 ASP H 5.500 . 6.000 3.888 3.543 4.438 . 0 0 "[ . 1 . 2]" 1
991 1 103 ILE MD 1 105 PRO HA 6.000 . 6.500 4.733 4.271 5.276 . 0 0 "[ . 1 . 2]" 1
992 1 103 ILE QG 1 104 ASP H 5.500 . 5.500 2.225 1.924 2.769 . 0 0 "[ . 1 . 2]" 1
993 1 103 ILE MG 1 104 ASP H 4.500 . 5.000 3.777 3.528 4.085 . 0 0 "[ . 1 . 2]" 1
994 1 103 ILE MG 1 105 PRO HD3 6.000 . 6.500 3.622 3.214 4.127 . 0 0 "[ . 1 . 2]" 1
995 1 103 ILE MG 1 105 PRO HD2 6.000 . 6.500 4.878 4.466 5.267 . 0 0 "[ . 1 . 2]" 1
996 1 104 ASP HA 1 105 PRO HA 5.500 . 5.500 4.497 4.447 4.528 . 0 0 "[ . 1 . 2]" 1
997 1 104 ASP HA 1 105 PRO HD3 3.600 . 3.600 2.347 2.027 2.488 . 0 0 "[ . 1 . 2]" 1
998 1 104 ASP HA 1 105 PRO HD2 3.600 . 3.600 2.127 2.006 2.439 . 0 0 "[ . 1 . 2]" 1
999 1 104 ASP QB 1 105 PRO HD3 5.500 . 5.500 4.320 4.127 4.505 . 0 0 "[ . 1 . 2]" 1
1000 1 104 ASP QB 1 105 PRO HD2 5.500 . 5.500 3.627 3.080 4.026 . 0 0 "[ . 1 . 2]" 1
1001 2 3 ARG HA 2 4 ILE MG 5.500 . 6.000 4.270 3.989 4.710 . 0 0 "[ . 1 . 2]" 1
1002 2 3 ARG QB 2 5 TRP HD1 6.000 . 6.000 3.291 2.754 4.096 . 0 0 "[ . 1 . 2]" 1
1003 2 4 ILE HA 2 5 TRP HD1 4.500 . 4.500 3.147 2.686 3.698 . 0 0 "[ . 1 . 2]" 1
1004 2 4 ILE HB 2 5 TRP HB2 6.000 . 6.000 5.475 5.044 6.014 0.014 13 0 "[ . 1 . 2]" 1
1005 2 4 ILE MD 2 4 ILE MG 3.600 . 4.600 2.555 1.773 3.056 0.027 13 0 "[ . 1 . 2]" 1
1006 2 4 ILE MG 2 5 TRP HD1 6.000 . 6.500 4.832 4.518 5.230 . 0 0 "[ . 1 . 2]" 1
1007 2 5 TRP HA 2 5 TRP HD1 4.500 . 4.500 3.145 2.855 3.508 . 0 0 "[ . 1 . 2]" 1
1008 2 5 TRP HA 2 5 TRP HE3 5.500 . 5.500 4.407 4.060 4.641 . 0 0 "[ . 1 . 2]" 1
1009 2 6 TRP HA 2 6 TRP HE3 5.500 . 5.500 5.000 4.457 5.211 . 0 0 "[ . 1 . 2]" 1
1010 2 6 TRP HA 2 7 VAL HA 6.000 . 6.000 4.468 4.344 4.544 . 0 0 "[ . 1 . 2]" 1
1011 2 6 TRP HD1 2 7 VAL HA 6.000 . 6.000 4.531 3.728 5.308 . 0 0 "[ . 1 . 2]" 1
1012 1 6 LYS HA 1 102 GLU QB 6.000 . 6.000 4.577 3.890 5.288 . 0 0 "[ . 1 . 2]" 1
1013 1 6 LYS QB 1 77 ILE MG 5.500 . 6.000 2.539 2.023 3.282 . 0 0 "[ . 1 . 2]" 1
1014 1 6 LYS QE 1 81 SER HA 5.500 . 5.500 2.949 1.952 4.100 . 0 0 "[ . 1 . 2]" 1
1015 1 6 LYS QE 1 81 SER QB 5.500 . 5.500 3.995 3.207 4.383 . 0 0 "[ . 1 . 2]" 1
1016 1 6 LYS QE 1 100 PRO QB 5.500 . 5.500 3.385 1.972 4.290 . 0 0 "[ . 1 . 2]" 1
1017 1 6 LYS QE 1 100 PRO HG3 5.500 . 5.500 3.962 2.936 4.877 . 0 0 "[ . 1 . 2]" 1
1018 1 6 LYS QG 1 102 GLU HA 5.500 . 5.500 4.033 2.855 4.905 . 0 0 "[ . 1 . 2]" 1
1019 1 7 TYR HB2 1 101 GLU QG 6.000 . 6.000 4.720 3.719 5.358 . 0 0 "[ . 1 . 2]" 1
1020 1 7 TYR HB3 1 101 GLU QG 5.500 . 5.500 3.279 2.413 4.141 . 0 0 "[ . 1 . 2]" 1
1021 1 7 TYR QD 1 101 GLU QG 6.000 . 7.000 3.878 3.065 5.183 . 0 0 "[ . 1 . 2]" 1
1022 1 7 TYR QE 1 8 ILE H 6.000 . 6.000 4.411 3.704 4.768 . 0 0 "[ . 1 . 2]" 1
1023 1 7 TYR H 1 101 GLU QB 5.500 . 5.500 4.689 3.487 4.918 . 0 0 "[ . 1 . 2]" 1
1024 1 7 TYR H 1 101 GLU QG 6.000 . 6.000 3.597 2.841 5.081 . 0 0 "[ . 1 . 2]" 1
1025 1 8 ILE MG 1 100 PRO QB 3.500 . 4.000 1.926 1.808 2.404 . 0 0 "[ . 1 . 2]" 1
1026 1 10 ILE HA 1 11 ARG QG 5.500 . 5.500 3.866 3.380 4.463 . 0 0 "[ . 1 . 2]" 1
1027 1 10 ILE QG 1 41 GLU H 5.500 . 5.500 4.171 3.137 4.888 . 0 0 "[ . 1 . 2]" 1
1028 1 11 ARG QB 1 12 MET H 4.500 . 4.500 3.099 2.558 3.393 . 0 0 "[ . 1 . 2]" 1
1029 1 11 ARG QB 1 40 ILE MG 5.500 . 6.000 2.811 2.533 3.396 . 0 0 "[ . 1 . 2]" 1
1030 1 11 ARG QB 1 41 GLU H 6.000 . 6.000 2.662 2.115 4.325 . 0 0 "[ . 1 . 2]" 1
1031 1 11 ARG QB 2 4 ILE MG 6.000 . 6.500 3.202 2.810 3.534 . 0 0 "[ . 1 . 2]" 1
1032 1 11 ARG QD 1 41 GLU HB3 6.000 . 6.000 4.130 3.852 4.440 . 0 0 "[ . 1 . 2]" 1
1033 1 11 ARG QD 1 43 ILE MD 4.500 . 5.000 3.662 3.261 3.726 . 0 0 "[ . 1 . 2]" 1
1034 1 11 ARG QG 2 6 TRP HD1 6.000 . 6.000 3.020 1.948 4.832 . 0 0 "[ . 1 . 2]" 1
1035 1 11 ARG QG 2 6 TRP HA 4.500 . 4.500 2.594 2.176 4.018 . 0 0 "[ . 1 . 2]" 1
1036 1 11 ARG QG 2 4 ILE HB 6.000 . 6.000 3.326 2.624 3.735 . 0 0 "[ . 1 . 2]" 1
1037 1 11 ARG QG 2 4 ILE MG 6.000 . 6.000 4.205 3.359 4.463 . 0 0 "[ . 1 . 2]" 1
1038 1 11 ARG H 1 11 ARG QD 5.500 . 5.500 3.424 2.744 3.970 . 0 0 "[ . 1 . 2]" 1
1039 1 12 MET QB 1 13 MET H 3.500 . 3.500 2.858 2.530 3.089 . 0 0 "[ . 1 . 2]" 1
1040 1 12 MET QB 1 37 ALA MB 5.500 . 6.000 2.528 2.172 3.113 . 0 0 "[ . 1 . 2]" 1
1041 1 12 MET QB 1 38 TYR H 6.000 . 6.000 4.022 3.550 4.663 . 0 0 "[ . 1 . 2]" 1
1042 1 12 MET QB 1 39 ILE HA 5.500 . 5.500 3.256 3.108 3.606 . 0 0 "[ . 1 . 2]" 1
1043 1 12 MET QB 1 40 ILE MD 5.500 . 6.000 3.935 3.565 4.472 . 0 0 "[ . 1 . 2]" 1
1044 1 12 MET QB 1 40 ILE H 4.500 . 4.500 4.005 3.904 4.049 . 0 0 "[ . 1 . 2]" 1
1045 1 12 MET QB 1 59 ILE MD 3.500 . 4.000 2.810 2.381 2.977 . 0 0 "[ . 1 . 2]" 1
1046 1 12 MET QB 1 70 ALA HA 4.500 . 4.500 3.632 3.463 3.813 . 0 0 "[ . 1 . 2]" 1
1047 1 12 MET QB 1 70 ALA H 6.000 . 6.000 5.308 5.163 5.357 . 0 0 "[ . 1 . 2]" 1
1048 1 12 MET QB 1 73 VAL MG1 4.500 . 5.000 3.714 3.679 3.724 . 0 0 "[ . 1 . 2]" 1
1049 1 12 MET QB 1 73 VAL MG2 6.000 . 6.500 3.672 3.434 3.890 . 0 0 "[ . 1 . 2]" 1
1050 1 12 MET QG 1 37 ALA MB 6.000 . 6.500 4.127 3.797 4.827 . 0 0 "[ . 1 . 2]" 1
1051 1 12 MET QG 1 59 ILE MD 6.000 . 6.500 3.803 3.267 4.378 . 0 0 "[ . 1 . 2]" 1
1052 1 12 MET QG 1 70 ALA MB 4.500 . 5.000 3.500 3.271 3.714 . 0 0 "[ . 1 . 2]" 1
1053 1 12 MET QG 1 77 ILE MD 5.500 . 6.000 3.538 3.184 3.885 . 0 0 "[ . 1 . 2]" 1
1054 1 12 MET QG 2 7 VAL QG 4.500 . 5.000 3.258 2.992 3.308 . 0 0 "[ . 1 . 2]" 1
1055 1 12 MET H 1 12 MET QG 4.500 . 4.500 1.973 1.871 2.197 . 0 0 "[ . 1 . 2]" 1
1056 1 13 MET QB 1 14 SER H 4.500 . 4.500 2.277 1.989 2.541 . 0 0 "[ . 1 . 2]" 1
1057 1 13 MET QB 1 15 LEU MD1 6.000 . 6.500 4.823 4.748 4.851 . 0 0 "[ . 1 . 2]" 1
1058 1 13 MET QB 1 38 TYR QD 6.000 . 6.000 4.362 4.103 4.767 . 0 0 "[ . 1 . 2]" 1
1059 1 13 MET QB 1 40 ILE MD 3.500 . 4.000 2.186 1.936 2.508 . 0 0 "[ . 1 . 2]" 1
1060 1 13 MET QB 1 40 ILE QG 5.500 . 5.500 3.469 3.176 3.796 . 0 0 "[ . 1 . 2]" 1
1061 1 13 MET QB 2 4 ILE HA 4.500 . 4.500 2.482 2.186 2.946 . 0 0 "[ . 1 . 2]" 1
1062 1 13 MET QB 2 4 ILE MG 5.500 . 6.000 2.640 2.192 3.472 . 0 0 "[ . 1 . 2]" 1
1063 1 13 MET ME 1 38 TYR QD 5.500 . 6.000 4.170 3.456 4.460 . 0 0 "[ . 1 . 2]" 1
1064 1 13 MET HG3 1 38 TYR QD 5.500 . 5.500 3.450 3.034 4.004 . 0 0 "[ . 1 . 2]" 1
1065 1 13 MET HG3 1 40 ILE QG 5.500 . 5.500 4.204 3.714 4.942 . 0 0 "[ . 1 . 2]" 1
1066 1 13 MET HG2 1 38 TYR QD 5.500 . 5.500 2.563 2.179 3.087 . 0 0 "[ . 1 . 2]" 1
1067 1 13 MET H 1 38 TYR QD 5.500 . 5.500 3.796 3.353 4.500 . 0 0 "[ . 1 . 2]" 1
1068 1 13 MET H 1 40 ILE QG 5.500 . 5.500 3.461 2.882 4.286 . 0 0 "[ . 1 . 2]" 1
1069 1 14 SER H 2 3 ARG QB 6.000 . 6.000 4.030 2.998 5.328 . 0 0 "[ . 1 . 2]" 1
1070 1 15 LEU MD1 1 38 TYR QD 3.500 . 4.000 2.451 1.973 2.952 . 0 0 "[ . 1 . 2]" 1
1071 1 16 THR MG 1 19 LYS QG 5.500 . 6.000 3.357 2.034 4.109 . 0 0 "[ . 1 . 2]" 1
1072 1 17 SER H 1 18 SER QB 6.000 . 6.000 4.586 4.304 5.175 . 0 0 "[ . 1 . 2]" 1
1073 1 18 SER QB 1 19 LYS H 4.500 . 4.500 2.648 2.085 3.562 . 0 0 "[ . 1 . 2]" 1
1074 1 19 LYS HA 1 22 GLU QB 3.500 . 3.500 2.347 2.028 2.803 . 0 0 "[ . 1 . 2]" 1
1075 1 19 LYS H 1 19 LYS QB 3.500 . 3.500 2.211 2.046 2.538 . 0 0 "[ . 1 . 2]" 1
1076 1 19 LYS H 1 19 LYS QD 6.000 . 6.000 4.092 2.180 4.835 . 0 0 "[ . 1 . 2]" 1
1077 1 19 LYS H 1 22 GLU QB 5.500 . 5.500 4.435 4.238 4.681 . 0 0 "[ . 1 . 2]" 1
1078 1 20 ALA MB 1 21 LYS QB 4.500 . 5.000 3.625 3.493 3.711 . 0 0 "[ . 1 . 2]" 1
1079 1 21 LYS QB 1 22 GLU H 3.500 . 3.500 2.835 2.710 2.945 . 0 0 "[ . 1 . 2]" 1
1080 1 21 LYS H 1 21 LYS QB 3.500 . 3.500 2.193 2.050 2.313 . 0 0 "[ . 1 . 2]" 1
1081 1 21 LYS H 1 22 GLU QB 5.500 . 5.500 4.171 3.971 4.412 . 0 0 "[ . 1 . 2]" 1
1082 1 22 GLU QB 1 23 LEU HA 5.500 . 5.500 3.888 3.752 4.169 . 0 0 "[ . 1 . 2]" 1
1083 1 22 GLU QB 1 23 LEU MD1 6.000 . 6.500 4.493 4.196 4.782 . 0 0 "[ . 1 . 2]" 1
1084 1 22 GLU QB 1 23 LEU MD2 5.500 . 6.000 4.043 3.555 4.453 . 0 0 "[ . 1 . 2]" 1
1085 1 22 GLU QB 1 23 LEU H 3.500 . 3.500 2.710 2.458 2.905 . 0 0 "[ . 1 . 2]" 1
1086 1 22 GLU QB 1 25 ASP HB2 6.000 . 6.000 4.803 4.421 5.307 . 0 0 "[ . 1 . 2]" 1
1087 1 22 GLU QG 1 25 ASP HB2 6.000 . 6.000 4.195 3.528 4.914 . 0 0 "[ . 1 . 2]" 1
1088 1 22 GLU H 1 22 GLU QB 3.500 . 3.500 2.147 2.060 2.250 . 0 0 "[ . 1 . 2]" 1
1089 1 23 LEU HA 1 26 ARG QB 4.500 . 4.500 3.184 2.585 3.665 . 0 0 "[ . 1 . 2]" 1
1090 1 23 LEU HA 1 26 ARG QD 5.500 . 5.500 4.311 3.049 4.900 . 0 0 "[ . 1 . 2]" 1
1091 1 23 LEU MD1 1 38 TYR QD 6.000 . 6.500 2.913 2.350 3.900 . 0 0 "[ . 1 . 2]" 1
1092 1 23 LEU MD2 1 27 HIS QB 6.000 . 6.500 4.178 3.529 4.648 . 0 0 "[ . 1 . 2]" 1
1093 1 24 LYS HA 1 24 LYS QG 3.500 . 3.500 2.249 2.088 2.491 . 0 0 "[ . 1 . 2]" 1
1094 1 24 LYS HA 1 27 HIS QB 5.500 . 5.500 3.948 2.980 4.718 . 0 0 "[ . 1 . 2]" 1
1095 1 24 LYS HA 1 30 PHE QD 5.500 . 5.500 3.664 2.366 4.626 . 0 0 "[ . 1 . 2]" 1
1096 1 24 LYS QB 1 25 ASP H 4.500 . 4.500 2.816 2.511 3.011 . 0 0 "[ . 1 . 2]" 1
1097 1 24 LYS QG 1 28 ARG HA 5.500 . 5.500 4.064 3.187 4.902 . 0 0 "[ . 1 . 2]" 1
1098 1 24 LYS QG 1 30 PHE HB2 5.500 . 5.500 2.779 1.938 3.481 . 0 0 "[ . 1 . 2]" 1
1099 1 24 LYS QG 1 30 PHE HB3 5.500 . 5.500 3.362 2.292 4.355 . 0 0 "[ . 1 . 2]" 1
1100 1 24 LYS QG 1 30 PHE QD 5.500 . 5.500 3.907 2.788 4.291 . 0 0 "[ . 1 . 2]" 1
1101 1 24 LYS QG 1 30 PHE H 5.500 . 5.500 4.106 3.072 4.879 . 0 0 "[ . 1 . 2]" 1
1102 1 24 LYS H 1 24 LYS QB 3.500 . 3.500 2.214 2.087 2.371 . 0 0 "[ . 1 . 2]" 1
1103 1 24 LYS H 1 24 LYS QG 3.500 . 3.500 2.831 2.544 3.068 . 0 0 "[ . 1 . 2]" 1
1104 1 26 ARG QB 1 27 HIS HD2 5.500 . 5.500 3.688 2.822 4.752 . 0 0 "[ . 1 . 2]" 1
1105 1 26 ARG QB 1 27 HIS H 3.500 . 3.500 2.487 1.978 3.125 . 0 0 "[ . 1 . 2]" 1
1106 1 26 ARG H 1 26 ARG QB 3.500 . 3.500 2.195 2.068 2.338 . 0 0 "[ . 1 . 2]" 1
1107 1 27 HIS QB 1 28 ARG HA 6.000 . 6.000 4.381 4.134 4.602 . 0 0 "[ . 1 . 2]" 1
1108 1 27 HIS QB 1 29 ASP H 4.500 . 4.500 3.121 2.105 3.733 . 0 0 "[ . 1 . 2]" 1
1109 1 27 HIS QB 1 30 PHE HB2 5.500 . 5.500 3.911 2.937 4.809 . 0 0 "[ . 1 . 2]" 1
1110 1 27 HIS QB 1 30 PHE QD 5.500 . 5.500 2.409 1.857 3.303 . 0 0 "[ . 1 . 2]" 1
1111 1 27 HIS H 1 27 HIS QB 3.500 . 3.500 2.351 2.050 2.707 . 0 0 "[ . 1 . 2]" 1
1112 1 27 HIS H 1 28 ARG QB 6.000 . 6.000 5.088 4.229 5.369 . 0 0 "[ . 1 . 2]" 1
1113 1 28 ARG HA 1 28 ARG QG 3.500 . 3.500 2.420 2.105 2.609 . 0 0 "[ . 1 . 2]" 1
1114 1 28 ARG QB 1 28 ARG QD 3.500 . 3.500 2.082 1.934 2.329 . 0 0 "[ . 1 . 2]" 1
1115 1 28 ARG QB 1 29 ASP H 4.500 . 4.500 3.239 2.170 4.010 . 0 0 "[ . 1 . 2]" 1
1116 1 28 ARG QB 1 30 PHE H 6.000 . 6.000 4.809 4.312 5.328 . 0 0 "[ . 1 . 2]" 1
1117 1 28 ARG QG 1 29 ASP H 4.500 . 4.500 4.000 3.781 4.055 . 0 0 "[ . 1 . 2]" 1
1118 1 28 ARG QG 1 30 PHE H 6.000 . 6.000 4.889 4.362 5.362 . 0 0 "[ . 1 . 2]" 1
1119 1 28 ARG H 1 28 ARG QD 6.000 . 6.000 4.502 3.304 5.373 . 0 0 "[ . 1 . 2]" 1
1120 1 28 ARG H 1 28 ARG QG 4.500 . 4.500 3.576 1.944 4.088 . 0 0 "[ . 1 . 2]" 1
1121 1 29 ASP QB 1 30 PHE H 4.500 . 4.500 3.400 2.899 4.007 . 0 0 "[ . 1 . 2]" 1
1122 1 29 ASP H 1 29 ASP QB 3.500 . 3.500 2.438 2.056 3.135 . 0 0 "[ . 1 . 2]" 1
1123 1 30 PHE HA 1 31 PRO QD 3.500 . 3.500 2.071 1.883 2.248 . 0 0 "[ . 1 . 2]" 1
1124 1 30 PHE QD 1 31 PRO QD 5.500 . 5.500 2.414 1.848 3.651 . 0 0 "[ . 1 . 2]" 1
1125 1 30 PHE H 1 30 PHE QD 4.500 . 4.500 2.924 1.960 3.719 . 0 0 "[ . 1 . 2]" 1
1126 1 30 PHE H 1 31 PRO QD 5.500 . 5.500 4.373 4.270 4.406 . 0 0 "[ . 1 . 2]" 1
1127 1 31 PRO QD 1 33 VAL MG2 5.500 . 6.000 3.584 2.596 4.124 . 0 0 "[ . 1 . 2]" 1
1128 1 34 ILE H 1 34 ILE QG 4.500 . 4.500 2.433 1.932 4.013 . 0 0 "[ . 1 . 2]" 1
1129 1 35 SER QB 1 36 GLY H 3.500 . 3.500 2.752 1.987 3.132 . 0 0 "[ . 1 . 2]" 1
1130 1 38 TYR HA 1 39 ILE QG 5.500 . 5.500 3.445 3.352 3.573 . 0 0 "[ . 1 . 2]" 1
1131 1 38 TYR QD 1 39 ILE H 4.500 . 4.500 3.521 3.370 3.632 . 0 0 "[ . 1 . 2]" 1
1132 1 38 TYR QD 1 40 ILE HA 4.500 . 4.500 3.251 3.039 3.626 . 0 0 "[ . 1 . 2]" 1
1133 1 38 TYR QD 1 40 ILE MD 4.500 . 5.000 3.254 1.814 3.722 . 0 0 "[ . 1 . 2]" 1
1134 1 38 TYR QD 1 40 ILE QG 4.500 . 4.500 2.548 2.101 3.597 . 0 0 "[ . 1 . 2]" 1
1135 1 38 TYR QD 1 40 ILE MG 5.500 . 6.000 4.352 3.862 4.477 . 0 0 "[ . 1 . 2]" 1
1136 1 38 TYR QD 1 40 ILE H 6.000 . 6.000 3.841 3.518 4.286 . 0 0 "[ . 1 . 2]" 1
1137 1 38 TYR QD 1 58 VAL MG1 5.500 . 6.000 3.905 3.344 4.374 . 0 0 "[ . 1 . 2]" 1
1138 1 38 TYR QD 1 58 VAL MG2 3.500 . 4.000 2.437 2.082 2.904 . 0 0 "[ . 1 . 2]" 1
1139 1 39 ILE QG 1 56 ASN H 6.000 . 6.000 4.998 4.293 5.365 . 0 0 "[ . 1 . 2]" 1
1140 1 39 ILE QG 1 58 VAL HA 5.500 . 5.500 3.024 2.435 3.742 . 0 0 "[ . 1 . 2]" 1
1141 1 39 ILE QG 1 59 ILE H 4.500 . 4.500 3.250 2.962 3.571 . 0 0 "[ . 1 . 2]" 1
1142 1 39 ILE MG 1 55 GLU QG 6.000 . 6.500 4.548 4.378 4.784 . 0 0 "[ . 1 . 2]" 1
1143 1 40 ILE HA 1 55 GLU QG 6.000 . 6.000 5.351 5.270 5.371 . 0 0 "[ . 1 . 2]" 1
1144 1 40 ILE MD 2 2 SER QB 6.000 2.300 6.500 4.742 4.263 4.831 . 0 0 "[ . 1 . 2]" 1
1145 1 40 ILE QG 1 41 GLU H 5.500 . 5.500 3.983 3.492 4.209 . 0 0 "[ . 1 . 2]" 1
1146 1 40 ILE MG 1 41 GLU QG 5.500 . 6.000 2.233 1.933 2.935 . 0 0 "[ . 1 . 2]" 1
1147 1 41 GLU HA 1 55 GLU QG 4.500 . 4.500 3.680 3.054 4.013 . 0 0 "[ . 1 . 2]" 1
1148 1 41 GLU QG 1 43 ILE MD 4.500 . 5.000 3.389 3.101 3.708 . 0 0 "[ . 1 . 2]" 1
1149 1 42 VAL MG1 1 49 GLU QG 4.500 . 5.000 3.479 2.980 3.715 . 0 0 "[ . 1 . 2]" 1
1150 1 42 VAL MG2 1 49 GLU QG 6.000 . 6.500 4.471 3.703 4.830 . 0 0 "[ . 1 . 2]" 1
1151 1 42 VAL MG2 1 55 GLU QG 6.000 . 6.500 4.572 3.990 4.833 . 0 0 "[ . 1 . 2]" 1
1152 1 42 VAL H 1 55 GLU QG 6.000 . 6.000 4.701 3.914 5.258 . 0 0 "[ . 1 . 2]" 1
1153 1 43 ILE MD 1 44 PRO QD 4.500 . 5.000 3.321 2.849 3.730 . 0 0 "[ . 1 . 2]" 1
1154 1 43 ILE QG 2 6 TRP HZ2 5.500 . 5.500 3.049 2.346 3.869 . 0 0 "[ . 1 . 2]" 1
1155 1 43 ILE H 1 43 ILE QG 4.500 . 4.500 2.743 1.959 3.913 . 0 0 "[ . 1 . 2]" 1
1156 1 44 PRO HA 1 49 GLU QG 5.500 . 5.500 3.614 2.620 4.909 . 0 0 "[ . 1 . 2]" 1
1157 1 44 PRO QB 1 45 ASP H 4.500 . 4.500 3.626 3.186 4.008 . 0 0 "[ . 1 . 2]" 1
1158 1 46 THR H 1 49 GLU QG 6.000 . 6.000 5.270 4.766 5.365 . 0 0 "[ . 1 . 2]" 1
1159 1 47 PRO QB 1 50 ALA MB 5.500 . 6.000 3.820 3.420 4.191 . 0 0 "[ . 1 . 2]" 1
1160 1 47 PRO QB 1 99 ILE H 5.500 . 5.500 2.942 2.376 3.394 . 0 0 "[ . 1 . 2]" 1
1161 1 47 PRO QB 1 100 PRO HA 6.000 . 6.000 3.823 3.236 4.481 . 0 0 "[ . 1 . 2]" 1
1162 1 49 GLU QG 1 50 ALA HA 5.500 . 5.500 4.318 3.792 4.914 . 0 0 "[ . 1 . 2]" 1
1163 1 54 LYS HA 1 54 LYS QE 5.500 . 5.500 4.295 2.875 4.822 . 0 0 "[ . 1 . 2]" 1
1164 1 54 LYS HA 1 54 LYS QG 3.500 . 3.500 2.203 2.005 2.806 . 0 0 "[ . 1 . 2]" 1
1165 1 54 LYS QG 1 55 GLU H 4.500 . 4.500 2.961 1.889 3.960 . 0 0 "[ . 1 . 2]" 1
1166 1 55 GLU HA 1 56 ASN QB 6.000 . 6.000 4.636 4.332 4.985 . 0 0 "[ . 1 . 2]" 1
1167 1 55 GLU QG 1 56 ASN QB 4.500 . 4.500 3.261 2.698 3.557 . 0 0 "[ . 1 . 2]" 1
1168 1 55 GLU QG 1 56 ASN QD 5.500 . 5.500 2.911 1.879 3.734 . 0 0 "[ . 1 . 2]" 1
1169 1 55 GLU QG 1 56 ASN HD21 6.000 . 6.000 3.120 1.939 4.352 . 0 0 "[ . 1 . 2]" 1
1170 1 55 GLU QG 1 56 ASN HD22 6.000 . 6.000 3.916 2.394 5.350 . 0 0 "[ . 1 . 2]" 1
1171 1 55 GLU H 1 55 GLU QG 3.500 . 3.500 2.424 2.048 2.740 . 0 0 "[ . 1 . 2]" 1
1172 1 56 ASN QB 1 57 ASP H 4.500 . 4.500 3.747 2.695 4.022 . 0 0 "[ . 1 . 2]" 1
1173 1 56 ASN QD 1 57 ASP H 6.000 . 6.000 5.044 4.670 5.352 . 0 0 "[ . 1 . 2]" 1
1174 1 56 ASN H 1 56 ASN QD 5.500 . 5.500 3.784 2.950 4.416 . 0 0 "[ . 1 . 2]" 1
1175 1 59 ILE MG 1 85 MET QG 5.500 . 6.000 2.275 1.931 2.605 . 0 0 "[ . 1 . 2]" 1
1176 1 60 ILE QG 1 61 SER HB3 6.000 . 6.000 3.880 3.484 4.275 . 0 0 "[ . 1 . 2]" 1
1177 1 60 ILE QG 1 61 SER H 5.500 . 5.500 2.041 1.933 2.293 . 0 0 "[ . 1 . 2]" 1
1178 1 60 ILE QG 1 86 VAL MG1 5.500 . 6.000 4.376 4.099 4.459 . 0 0 "[ . 1 . 2]" 1
1179 1 60 ILE QG 1 86 VAL H 5.500 . 5.500 3.723 3.412 4.041 . 0 0 "[ . 1 . 2]" 1
1180 1 62 ILE HA 1 62 ILE QG 3.500 . 3.500 2.247 2.154 2.362 . 0 0 "[ . 1 . 2]" 1
1181 1 62 ILE QG 1 85 MET HA 6.000 . 6.000 4.135 3.704 4.485 . 0 0 "[ . 1 . 2]" 1
1182 1 62 ILE MG 1 65 GLN QG 4.500 . 5.000 2.875 2.551 3.251 . 0 0 "[ . 1 . 2]" 1
1183 1 62 ILE MG 1 85 MET QG 5.500 . 6.000 4.139 3.669 4.379 . 0 0 "[ . 1 . 2]" 1
1184 1 62 ILE H 1 65 GLN QG 6.000 . 6.000 4.359 4.049 4.699 . 0 0 "[ . 1 . 2]" 1
1185 1 63 ASN HB2 1 65 GLN QG 6.000 . 6.000 4.471 4.299 4.666 . 0 0 "[ . 1 . 2]" 1
1186 1 63 ASN QD 1 80 GLU HB2 5.500 . 5.500 2.694 2.043 3.225 . 0 0 "[ . 1 . 2]" 1
1187 1 63 ASN QD 1 80 GLU HG3 5.500 . 5.500 2.201 1.910 3.861 . 0 0 "[ . 1 . 2]" 1
1188 1 63 ASN QD 1 80 GLU HG2 4.500 . 4.500 3.165 2.089 3.577 . 0 0 "[ . 1 . 2]" 1
1189 1 63 ASN QD 1 80 GLU H 6.000 . 6.000 4.469 3.987 4.996 . 0 0 "[ . 1 . 2]" 1
1190 1 63 ASN QD 1 83 LEU HA 4.500 . 4.500 2.324 1.929 3.343 . 0 0 "[ . 1 . 2]" 1
1191 1 63 ASN QD 1 84 ASN H 4.500 . 4.500 3.153 2.750 4.012 . 0 0 "[ . 1 . 2]" 1
1192 1 65 GLN HA 1 65 GLN QG 3.500 . 3.500 2.479 2.210 2.797 . 0 0 "[ . 1 . 2]" 1
1193 1 65 GLN QE 1 76 VAL MG2 5.500 . 6.000 3.558 2.460 4.453 . 0 0 "[ . 1 . 2]" 1
1194 1 65 GLN H 1 65 GLN QG 3.500 . 3.500 3.050 2.754 3.137 . 0 0 "[ . 1 . 2]" 1
1195 1 66 SER QB 1 67 VAL H 4.500 . 4.500 3.566 3.245 3.899 . 0 0 "[ . 1 . 2]" 1
1196 1 66 SER H 1 66 SER QB 3.500 . 3.500 2.514 2.140 3.074 . 0 0 "[ . 1 . 2]" 1
1197 1 74 SER HA 2 7 VAL QG 5.500 . 6.000 2.388 2.012 2.623 . 0 0 "[ . 1 . 2]" 1
1198 1 74 SER HB2 2 7 VAL QG 5.500 . 6.000 2.559 2.033 2.872 . 0 0 "[ . 1 . 2]" 1
1199 1 74 SER HB3 2 7 VAL QG 5.500 . 6.000 3.639 3.206 3.852 . 0 0 "[ . 1 . 2]" 1
1200 1 74 SER H 2 7 VAL QG 5.500 . 6.000 4.001 3.675 4.261 . 0 0 "[ . 1 . 2]" 1
1201 1 75 ASP HA 1 78 LYS QD 4.500 . 4.500 2.678 1.943 4.011 . 0 0 "[ . 1 . 2]" 1
1202 1 75 ASP HA 1 78 LYS QE 5.500 . 5.500 2.974 1.884 3.692 . 0 0 "[ . 1 . 2]" 1
1203 1 75 ASP HA 1 78 LYS QG 5.500 . 5.500 3.146 1.920 4.805 . 0 0 "[ . 1 . 2]" 1
1204 1 75 ASP H 1 78 LYS QD 6.000 . 6.000 4.359 3.397 5.348 . 0 0 "[ . 1 . 2]" 1
1205 1 75 ASP H 1 78 LYS QE 6.000 . 6.000 4.468 3.123 5.340 . 0 0 "[ . 1 . 2]" 1
1206 1 75 ASP H 2 7 VAL QG 6.000 . 6.500 4.734 4.229 4.834 . 0 0 "[ . 1 . 2]" 1
1207 1 76 VAL HA 1 79 ARG QB 3.500 . 3.500 2.235 1.982 2.426 . 0 0 "[ . 1 . 2]" 1
1208 1 76 VAL HA 1 79 ARG QD 4.500 . 4.500 3.701 2.695 4.024 . 0 0 "[ . 1 . 2]" 1
1209 1 76 VAL HA 1 79 ARG QG 4.500 . 4.500 4.014 3.977 4.035 . 0 0 "[ . 1 . 2]" 1
1210 1 76 VAL MG2 1 79 ARG QD 6.000 . 6.500 4.326 3.816 4.618 . 0 0 "[ . 1 . 2]" 1
1211 1 77 ILE HB 2 7 VAL QG 4.500 . 5.000 2.666 1.967 3.708 . 0 0 "[ . 1 . 2]" 1
1212 1 78 LYS QB 1 78 LYS QE 3.500 . 3.500 2.407 1.921 2.784 . 0 0 "[ . 1 . 2]" 1
1213 1 78 LYS H 1 78 LYS QB 3.500 . 3.500 2.624 2.286 2.901 . 0 0 "[ . 1 . 2]" 1
1214 1 78 LYS H 1 78 LYS QG 4.500 . 4.500 2.338 1.895 3.510 . 0 0 "[ . 1 . 2]" 1
1215 1 79 ARG HA 1 79 ARG QD 4.500 . 4.500 3.871 3.652 4.041 . 0 0 "[ . 1 . 2]" 1
1216 1 79 ARG QB 1 79 ARG QD 3.500 . 3.500 2.062 1.934 2.185 . 0 0 "[ . 1 . 2]" 1
1217 1 79 ARG QD 1 80 GLU HG3 6.000 . 6.000 4.818 2.952 5.359 . 0 0 "[ . 1 . 2]" 1
1218 1 79 ARG H 1 79 ARG QB 3.500 . 3.500 2.327 2.292 2.350 . 0 0 "[ . 1 . 2]" 1
1219 1 79 ARG H 1 79 ARG QD 5.500 . 5.500 4.533 4.194 4.691 . 0 0 "[ . 1 . 2]" 1
1220 1 81 SER QB 1 82 THR MG 5.500 . 6.000 3.371 3.008 3.814 . 0 0 "[ . 1 . 2]" 1
1221 1 81 SER QB 1 82 THR H 3.500 . 3.500 2.757 2.625 2.986 . 0 0 "[ . 1 . 2]" 1
1222 1 81 SER QB 1 83 LEU MD2 6.000 . 6.500 4.812 4.566 4.835 . 0 0 "[ . 1 . 2]" 1
1223 1 81 SER H 1 81 SER QB 3.500 . 3.500 2.313 2.068 3.025 . 0 0 "[ . 1 . 2]" 1
1224 1 84 ASN QD 1 97 THR MG 3.500 . 4.000 2.439 1.944 2.947 . 0 0 "[ . 1 . 2]" 1
1225 1 84 ASN H 1 84 ASN QD 4.500 . 4.500 2.848 2.242 4.045 . 0 0 "[ . 1 . 2]" 1
1226 1 85 MET H 1 85 MET QG 4.500 . 4.500 2.393 2.212 2.555 . 0 0 "[ . 1 . 2]" 1
1227 1 86 VAL MG1 1 93 ASP QB 4.500 . 5.000 2.843 2.490 3.344 . 0 0 "[ . 1 . 2]" 1
1228 1 86 VAL MG1 1 95 MET QG 5.500 . 6.000 2.507 2.060 2.908 . 0 0 "[ . 1 . 2]" 1
1229 1 87 VAL MG2 1 96 ILE QG 3.500 . 4.000 2.390 1.846 2.925 . 0 0 "[ . 1 . 2]" 1
1230 1 87 VAL H 1 95 MET QG 6.000 . 6.000 5.090 4.675 5.353 . 0 0 "[ . 1 . 2]" 1
1231 1 88 ARG HA 1 92 GLU QG 6.000 . 6.000 4.880 4.591 5.115 . 0 0 "[ . 1 . 2]" 1
1232 1 88 ARG HA 1 93 ASP QB 6.000 . 6.000 4.199 3.593 4.791 . 0 0 "[ . 1 . 2]" 1
1233 1 88 ARG QD 1 89 ARG H 4.500 . 4.500 3.151 2.299 4.003 . 0 0 "[ . 1 . 2]" 1
1234 1 89 ARG QB 1 94 ILE MD 4.500 . 5.000 1.798 1.649 1.987 0.151 6 0 "[ . 1 . 2]" 1
1235 1 89 ARG QD 1 94 ILE HG13 6.000 . 6.000 4.631 4.064 5.041 . 0 0 "[ . 1 . 2]" 1
1236 1 89 ARG QD 1 94 ILE MG 5.500 . 6.000 4.296 3.743 4.466 . 0 0 "[ . 1 . 2]" 1
1237 1 89 ARG QB 1 89 ARG HE 4.500 . 4.500 3.182 1.968 4.046 . 0 0 "[ . 1 . 2]" 1
1238 1 89 ARG H 1 92 GLU QG 6.000 . 6.000 3.555 3.140 3.900 . 0 0 "[ . 1 . 2]" 1
1239 1 90 GLY HA2 1 92 GLU QG 6.000 . 6.000 5.350 5.251 5.376 . 0 0 "[ . 1 . 2]" 1
1240 1 90 GLY HA3 1 92 GLU QG 6.000 . 6.000 3.905 3.809 3.963 . 0 0 "[ . 1 . 2]" 1
1241 1 91 ASN HB2 1 92 GLU QG 6.000 . 6.000 5.298 5.052 5.374 . 0 0 "[ . 1 . 2]" 1
1242 1 91 ASN HB3 1 92 GLU QG 6.000 . 6.000 4.561 4.170 4.791 . 0 0 "[ . 1 . 2]" 1
1243 1 91 ASN H 1 91 ASN QD 5.500 . 5.500 4.613 4.385 4.708 . 0 0 "[ . 1 . 2]" 1
1244 1 91 ASN H 1 92 GLU QB 5.500 . 5.500 3.968 3.909 4.054 . 0 0 "[ . 1 . 2]" 1
1245 1 91 ASN H 1 92 GLU QG 5.500 . 5.500 2.725 2.563 2.970 . 0 0 "[ . 1 . 2]" 1
1246 1 92 GLU QB 1 93 ASP HA 6.000 . 6.000 4.491 4.392 4.584 . 0 0 "[ . 1 . 2]" 1
1247 1 92 GLU QB 1 93 ASP H 3.500 . 3.500 2.583 2.298 2.843 . 0 0 "[ . 1 . 2]" 1
1248 1 92 GLU QB 1 94 ILE MD 6.000 . 6.500 4.591 4.069 4.812 . 0 0 "[ . 1 . 2]" 1
1249 1 92 GLU QG 1 94 ILE MD 4.500 . 5.000 3.022 2.354 3.392 . 0 0 "[ . 1 . 2]" 1
1250 1 92 GLU QG 1 94 ILE HG13 6.000 . 6.000 2.995 2.825 3.152 . 0 0 "[ . 1 . 2]" 1
1251 1 92 GLU QG 1 94 ILE HG12 6.000 . 6.000 3.471 3.338 3.874 . 0 0 "[ . 1 . 2]" 1
1252 1 92 GLU QG 1 94 ILE MG 6.000 . 6.500 4.828 4.811 4.841 . 0 0 "[ . 1 . 2]" 1
1253 1 92 GLU H 1 92 GLU QB 3.500 . 3.500 3.151 3.132 3.183 . 0 0 "[ . 1 . 2]" 1
1254 1 92 GLU H 1 92 GLU QG 3.500 . 3.500 2.163 2.071 2.303 . 0 0 "[ . 1 . 2]" 1
1255 1 93 ASP QB 1 94 ILE HG13 6.000 . 6.000 4.531 4.447 4.662 . 0 0 "[ . 1 . 2]" 1
1256 1 93 ASP H 1 93 ASP QB 3.500 . 3.500 2.444 2.205 2.804 . 0 0 "[ . 1 . 2]" 1
1257 1 94 ILE HA 1 95 MET QG 6.000 . 6.000 4.582 3.246 5.347 . 0 0 "[ . 1 . 2]" 1
1258 1 95 MET QB 1 96 ILE MD 6.000 . 6.500 4.249 3.907 4.575 . 0 0 "[ . 1 . 2]" 1
1259 1 95 MET QB 1 96 ILE H 4.500 . 4.500 3.341 3.053 3.656 . 0 0 "[ . 1 . 2]" 1
1260 1 95 MET H 1 95 MET QG 4.500 . 4.500 3.356 2.357 3.906 . 0 0 "[ . 1 . 2]" 1
1261 1 95 MET H 1 96 ILE QG 6.000 . 6.000 4.620 4.250 4.838 . 0 0 "[ . 1 . 2]" 1
1262 1 96 ILE QG 1 97 THR H 5.500 . 5.500 4.452 4.080 4.712 . 0 0 "[ . 1 . 2]" 1
1263 1 96 ILE H 1 96 ILE QG 4.500 . 4.500 2.800 2.243 3.510 . 0 0 "[ . 1 . 2]" 1
1264 1 101 GLU QG 1 102 GLU HA 6.000 . 6.000 4.217 3.886 4.729 . 0 0 "[ . 1 . 2]" 1
1265 1 101 GLU QG 1 103 ILE MG 5.500 . 6.000 4.183 3.507 4.457 . 0 0 "[ . 1 . 2]" 1
1266 1 102 GLU H 1 102 GLU QB 3.500 . 3.500 2.637 2.328 2.963 . 0 0 "[ . 1 . 2]" 1
1267 1 102 GLU H 1 102 GLU QG 3.500 . 3.500 2.445 1.940 3.017 . 0 0 "[ . 1 . 2]" 1
1268 2 1 ASP QB 2 3 ARG QB 4.500 . 4.500 3.492 3.232 3.582 . 0 0 "[ . 1 . 2]" 1
1269 2 1 ASP QB 2 3 ARG QG 3.500 . 3.500 2.473 1.891 2.778 . 0 0 "[ . 1 . 2]" 1
1270 2 3 ARG HA 2 3 ARG QG 3.500 . 3.500 2.285 2.061 2.884 . 0 0 "[ . 1 . 2]" 1
1271 2 5 TRP HB2 2 7 VAL QG 5.500 . 6.000 3.167 2.963 3.475 . 0 0 "[ . 1 . 2]" 1
1272 2 5 TRP HB3 2 7 VAL QG 4.500 . 5.000 2.026 1.918 2.248 . 0 0 "[ . 1 . 2]" 1
1273 2 5 TRP HE3 2 7 VAL QG 3.500 . 4.000 2.509 2.254 2.807 . 0 0 "[ . 1 . 2]" 1
1274 2 5 TRP HZ3 2 7 VAL QG 5.500 . 6.000 4.066 3.730 4.366 . 0 0 "[ . 1 . 2]" 1
1275 2 6 TRP HA 2 7 VAL QG 6.000 . 6.500 3.956 3.768 4.044 . 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 42
_Distance_constraint_stats_list.Viol_count 100
_Distance_constraint_stats_list.Viol_total 28.517
_Distance_constraint_stats_list.Viol_max 0.056
_Distance_constraint_stats_list.Viol_rms 0.0063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0143
_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 12 MET 0.040 0.016 11 0 "[ . 1 . 2]"
1 13 MET 0.063 0.017 3 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.052 0.020 12 0 "[ . 1 . 2]"
1 38 TYR 0.063 0.017 3 0 "[ . 1 . 2]"
1 39 ILE 0.053 0.020 1 0 "[ . 1 . 2]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.626 0.056 17 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.626 0.056 17 0 "[ . 1 . 2]"
1 57 ASP 0.053 0.020 1 0 "[ . 1 . 2]"
1 59 ILE 0.052 0.020 12 0 "[ . 1 . 2]"
1 60 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.061 0.016 12 0 "[ . 1 . 2]"
1 65 GLN 0.061 0.016 12 0 "[ . 1 . 2]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.324 0.036 12 0 "[ . 1 . 2]"
1 73 VAL 0.327 0.036 12 0 "[ . 1 . 2]"
1 74 SER 0.077 0.019 8 0 "[ . 1 . 2]"
1 77 ILE 0.003 0.003 12 0 "[ . 1 . 2]"
1 78 LYS 0.077 0.019 8 0 "[ . 1 . 2]"
1 83 LEU 0.001 0.001 2 0 "[ . 1 . 2]"
1 85 MET 0.076 0.014 16 0 "[ . 1 . 2]"
1 87 VAL 0.011 0.011 6 0 "[ . 1 . 2]"
1 89 ARG 0.039 0.008 15 0 "[ . 1 . 2]"
1 92 GLU 0.039 0.008 15 0 "[ . 1 . 2]"
1 94 ILE 0.011 0.011 6 0 "[ . 1 . 2]"
1 96 ILE 0.076 0.014 16 0 "[ . 1 . 2]"
1 98 VAL 0.001 0.001 2 0 "[ . 1 . 2]"
2 5 TRP 0.040 0.016 11 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 13 MET H 1 38 TYR O 2.300 . 2.300 2.131 1.866 2.309 0.009 15 0 "[ . 1 . 2]" 2
2 1 13 MET N 1 38 TYR O 3.400 2.500 3.400 3.062 2.808 3.263 . 0 0 "[ . 1 . 2]" 2
3 1 16 THR O 1 20 ALA H 2.300 . 2.300 1.736 1.612 1.982 . 0 0 "[ . 1 . 2]" 2
4 1 16 THR O 1 20 ALA N 3.400 2.500 3.400 2.672 2.583 2.896 . 0 0 "[ . 1 . 2]" 2
5 1 37 ALA H 1 59 ILE O 2.300 . 2.300 2.185 1.808 2.320 0.020 12 0 "[ . 1 . 2]" 2
6 1 37 ALA N 1 59 ILE O 3.400 2.500 3.400 3.018 2.641 3.228 . 0 0 "[ . 1 . 2]" 2
7 1 13 MET O 1 38 TYR H 2.300 . 2.300 2.115 1.762 2.317 0.017 3 0 "[ . 1 . 2]" 2
8 1 13 MET O 1 38 TYR N 3.400 2.500 3.400 3.032 2.725 3.233 . 0 0 "[ . 1 . 2]" 2
9 1 39 ILE H 1 57 ASP O 2.300 . 2.300 2.156 1.778 2.320 0.020 1 0 "[ . 1 . 2]" 2
10 1 39 ILE N 1 57 ASP O 3.400 2.500 3.400 3.124 2.750 3.288 . 0 0 "[ . 1 . 2]" 2
11 1 47 PRO O 1 51 GLY H 2.300 . 2.300 1.889 1.684 2.198 . 0 0 "[ . 1 . 2]" 2
12 1 47 PRO O 1 51 GLY N 3.400 2.500 3.400 2.597 2.538 2.980 . 0 0 "[ . 1 . 2]" 2
13 1 48 ALA O 1 53 LEU H 2.300 . 2.300 2.320 2.104 2.356 0.056 17 0 "[ . 1 . 2]" 2
14 1 48 ALA O 1 53 LEU N 3.400 2.500 3.400 3.233 2.887 3.305 . 0 0 "[ . 1 . 2]" 2
15 1 37 ALA O 1 59 ILE H 2.300 . 2.300 1.903 1.715 2.217 . 0 0 "[ . 1 . 2]" 2
16 1 37 ALA O 1 59 ILE N 3.400 2.500 3.400 2.709 2.586 2.904 . 0 0 "[ . 1 . 2]" 2
17 1 62 ILE H 1 65 GLN O 2.300 . 2.300 2.213 1.786 2.316 0.016 12 0 "[ . 1 . 2]" 2
18 1 62 ILE N 1 65 GLN O 3.400 2.500 3.400 3.056 2.650 3.215 . 0 0 "[ . 1 . 2]" 2
19 1 60 ILE O 1 67 VAL H 2.300 . 2.300 1.754 1.633 1.998 . 0 0 "[ . 1 . 2]" 2
20 1 60 ILE O 1 67 VAL N 3.400 2.500 3.400 2.663 2.571 2.875 . 0 0 "[ . 1 . 2]" 2
21 1 69 SER O 1 73 VAL H 2.300 . 2.300 2.313 2.243 2.336 0.036 12 0 "[ . 1 . 2]" 2
22 1 69 SER O 1 73 VAL N 3.400 2.500 3.400 3.198 3.124 3.275 . 0 0 "[ . 1 . 2]" 2
23 1 73 VAL O 1 77 ILE H 2.300 . 2.300 2.096 1.932 2.303 0.003 12 0 "[ . 1 . 2]" 2
24 1 73 VAL O 1 77 ILE N 3.400 2.500 3.400 3.031 2.885 3.219 . 0 0 "[ . 1 . 2]" 2
25 1 74 SER O 1 78 LYS H 2.300 . 2.300 2.263 2.093 2.319 0.019 8 0 "[ . 1 . 2]" 2
26 1 74 SER O 1 78 LYS N 3.400 2.500 3.400 3.154 2.991 3.228 . 0 0 "[ . 1 . 2]" 2
27 1 85 MET H 1 96 ILE O 2.300 . 2.300 2.258 2.032 2.314 0.014 16 0 "[ . 1 . 2]" 2
28 1 85 MET N 1 96 ILE O 3.400 2.500 3.400 2.788 2.629 2.922 . 0 0 "[ . 1 . 2]" 2
29 1 87 VAL H 1 94 ILE O 2.300 . 2.300 2.035 1.744 2.311 0.011 6 0 "[ . 1 . 2]" 2
30 1 87 VAL N 1 94 ILE O 3.400 2.500 3.400 2.862 2.705 3.106 . 0 0 "[ . 1 . 2]" 2
31 1 89 ARG H 1 92 GLU O 2.300 . 2.300 2.148 1.805 2.308 0.008 15 0 "[ . 1 . 2]" 2
32 1 89 ARG N 1 92 GLU O 3.400 2.500 3.400 3.042 2.677 3.283 . 0 0 "[ . 1 . 2]" 2
33 1 89 ARG O 1 92 GLU H 2.300 . 2.300 2.182 1.943 2.305 0.005 9 0 "[ . 1 . 2]" 2
34 1 89 ARG O 1 92 GLU N 3.400 2.500 3.400 3.123 2.909 3.256 . 0 0 "[ . 1 . 2]" 2
35 1 87 VAL O 1 94 ILE H 2.300 . 2.300 1.892 1.655 2.253 . 0 0 "[ . 1 . 2]" 2
36 1 87 VAL O 1 94 ILE N 3.400 2.500 3.400 2.808 2.584 3.130 . 0 0 "[ . 1 . 2]" 2
37 1 85 MET O 1 96 ILE H 2.300 . 2.300 1.914 1.686 2.220 . 0 0 "[ . 1 . 2]" 2
38 1 85 MET O 1 96 ILE N 3.400 2.500 3.400 2.748 2.579 3.037 . 0 0 "[ . 1 . 2]" 2
39 1 83 LEU O 1 98 VAL H 2.300 . 2.300 1.933 1.630 2.301 0.001 2 0 "[ . 1 . 2]" 2
40 1 83 LEU O 1 98 VAL N 3.400 2.500 3.400 2.831 2.562 3.220 . 0 0 "[ . 1 . 2]" 2
41 1 12 MET H 2 5 TRP O 2.300 . 2.300 2.209 1.916 2.316 0.016 11 0 "[ . 1 . 2]" 2
42 1 12 MET N 2 5 TRP O 3.400 2.500 3.400 3.119 2.812 3.277 . 0 0 "[ . 1 . 2]" 2
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