Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
435983 | 2k06 RC | 15642 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k06
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 825
_Distance_constraint_stats_list.Viol_count 488
_Distance_constraint_stats_list.Viol_total 659.768
_Distance_constraint_stats_list.Viol_max 0.985
_Distance_constraint_stats_list.Viol_rms 0.0299
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0676
_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 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.524 0.435 9 0 "[ . 1 . 2]"
1 8 ARG 0.032 0.011 16 0 "[ . 1 . 2]"
1 9 TRP 6.393 0.494 11 0 "[ . 1 . 2]"
1 10 TYR 0.146 0.018 14 0 "[ . 1 . 2]"
1 11 VAL 0.148 0.019 12 0 "[ . 1 . 2]"
1 12 VAL 0.106 0.012 4 0 "[ . 1 . 2]"
1 13 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.028 0.011 7 0 "[ . 1 . 2]"
1 15 PHE 3.754 0.828 20 3 "[ * . 1 - +]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.005 0.003 8 0 "[ . 1 . 2]"
1 18 PHE 3.675 0.828 20 3 "[ * . 1 - +]"
1 19 GLU 0.593 0.377 16 0 "[ . 1 . 2]"
1 20 GLY 6.999 0.806 6 8 "[- *+* *1* . **2]"
1 21 ARG 0.004 0.003 16 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 THR 0.004 0.003 16 0 "[ . 1 . 2]"
1 25 SER 0.002 0.002 19 0 "[ . 1 . 2]"
1 26 LEU 0.037 0.013 3 0 "[ . 1 . 2]"
1 27 ARG 0.418 0.212 16 0 "[ . 1 . 2]"
1 28 GLU 0.220 0.192 16 0 "[ . 1 . 2]"
1 29 HIS 0.038 0.013 3 0 "[ . 1 . 2]"
1 30 ILE 0.072 0.030 13 0 "[ . 1 . 2]"
1 31 LYS 0.032 0.021 5 0 "[ . 1 . 2]"
1 32 LEU 0.011 0.011 3 0 "[ . 1 . 2]"
1 33 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASN 0.011 0.011 3 0 "[ . 1 . 2]"
1 35 MET 0.107 0.023 15 0 "[ . 1 . 2]"
1 36 GLU 0.003 0.003 16 0 "[ . 1 . 2]"
1 37 ASP 0.057 0.026 5 0 "[ . 1 . 2]"
1 38 LEU 1.998 0.638 18 3 "[ . *- 1 . + 2]"
1 39 PHE 0.241 0.026 5 0 "[ . 1 . 2]"
1 40 GLY 0.010 0.008 9 0 "[ . 1 . 2]"
1 41 GLU 1.925 0.494 11 0 "[ . 1 . 2]"
1 42 VAL 2.144 0.707 4 3 "[- +. * 1 . 2]"
1 43 MET 3.297 0.985 2 4 "[-+ *. * 1 . 2]"
1 44 VAL 7.594 0.806 6 8 "[- *+* *1* . **2]"
1 45 PRO 0.483 0.472 4 0 "[ . 1 . 2]"
1 46 THR 0.057 0.013 12 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.006 0.006 15 0 "[ . 1 . 2]"
1 51 GLU 0.013 0.008 6 0 "[ . 1 . 2]"
1 52 ILE 0.020 0.008 6 0 "[ . 1 . 2]"
1 53 ARG 0.013 0.007 14 0 "[ . 1 . 2]"
1 59 LYS 0.555 0.555 5 1 "[ + 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 0.555 0.555 5 1 "[ + 1 . 2]"
1 62 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PHE 0.026 0.008 16 0 "[ . 1 . 2]"
1 67 GLY 0.011 0.005 6 0 "[ . 1 . 2]"
1 68 TYR 0.227 0.195 2 0 "[ . 1 . 2]"
1 69 VAL 0.166 0.029 17 0 "[ . 1 . 2]"
1 70 LEU 1.299 0.985 2 1 "[ + . 1 . 2]"
1 71 VAL 0.002 0.002 17 0 "[ . 1 . 2]"
1 72 GLN 0.576 0.435 9 0 "[ . 1 . 2]"
1 73 MET 0.153 0.018 14 0 "[ . 1 . 2]"
1 74 VAL 0.007 0.004 20 0 "[ . 1 . 2]"
1 75 MET 0.129 0.022 8 0 "[ . 1 . 2]"
1 76 ASN 0.023 0.010 16 0 "[ . 1 . 2]"
1 77 ASP 0.710 0.686 14 1 "[ . 1 +. 2]"
1 78 ALA 1.120 0.458 18 0 "[ . 1 . 2]"
1 79 SER 2.105 0.778 5 3 "[ + 1 -*. 2]"
1 80 TRP 1.332 0.687 5 1 "[ + 1 . 2]"
1 81 HIS 1.120 0.458 18 0 "[ . 1 . 2]"
1 82 LEU 2.406 0.778 5 2 "[ + 1 - . 2]"
1 83 VAL 0.032 0.016 5 0 "[ . 1 . 2]"
1 84 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.090 0.038 15 0 "[ . 1 . 2]"
1 87 PRO 0.006 0.006 10 0 "[ . 1 . 2]"
1 88 ARG 0.097 0.070 14 0 "[ . 1 . 2]"
1 89 VAL 0.066 0.012 13 0 "[ . 1 . 2]"
1 90 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLY 0.007 0.004 12 0 "[ . 1 . 2]"
1 92 PHE 0.263 0.033 15 0 "[ . 1 . 2]"
1 93 ILE 0.439 0.195 2 0 "[ . 1 . 2]"
1 94 GLY 0.039 0.013 16 0 "[ . 1 . 2]"
1 95 GLY 0.192 0.026 12 0 "[ . 1 . 2]"
1 96 THR 0.052 0.028 16 0 "[ . 1 . 2]"
1 97 SER 1.377 0.110 18 0 "[ . 1 . 2]"
1 98 ASP 1.353 0.110 18 0 "[ . 1 . 2]"
1 99 ARG 0.166 0.022 2 0 "[ . 1 . 2]"
1 100 PRO 0.215 0.022 8 0 "[ . 1 . 2]"
1 101 ALA 0.204 0.026 12 0 "[ . 1 . 2]"
1 102 PRO 0.072 0.016 12 0 "[ . 1 . 2]"
1 103 ILE 0.107 0.016 12 0 "[ . 1 . 2]"
1 104 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LYS 0.025 0.007 3 0 "[ . 1 . 2]"
1 107 GLU 0.005 0.005 15 0 "[ . 1 . 2]"
1 108 VAL 0.027 0.007 8 0 "[ . 1 . 2]"
1 109 ASP 0.025 0.007 3 0 "[ . 1 . 2]"
1 110 ALA 0.036 0.007 16 0 "[ . 1 . 2]"
1 111 ILE 0.055 0.008 16 0 "[ . 1 . 2]"
1 112 MET 0.032 0.008 16 0 "[ . 1 . 2]"
1 113 ASN 0.036 0.007 16 0 "[ . 1 . 2]"
1 114 ARG 0.086 0.034 12 0 "[ . 1 . 2]"
1 115 LEU 0.561 0.472 4 0 "[ . 1 . 2]"
1 116 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 GLN 0.034 0.018 12 0 "[ . 1 . 2]"
1 118 VAL 0.001 0.001 16 0 "[ . 1 . 2]"
1 119 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ASP 0.001 0.001 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU HA 1 4 ALA H 0.000 . 4.000 2.884 2.228 3.546 . 0 0 "[ . 1 . 2]" 1
2 1 4 ALA HA 1 5 PRO HD2 0.000 . 4.000 2.201 1.948 2.576 . 0 0 "[ . 1 . 2]" 1
3 1 4 ALA HA 1 5 PRO HD3 0.000 . 4.000 2.588 2.294 3.136 . 0 0 "[ . 1 . 2]" 1
4 1 4 ALA MB 1 5 PRO HD2 0.000 . 5.000 3.045 2.044 3.888 . 0 0 "[ . 1 . 2]" 1
5 1 4 ALA MB 1 5 PRO HD3 0.000 . 5.000 3.809 3.141 4.194 . 0 0 "[ . 1 . 2]" 1
6 1 5 PRO HA 1 6 LYS H 0.000 . 4.000 2.487 2.226 3.483 . 0 0 "[ . 1 . 2]" 1
7 1 6 LYS HA 1 7 LYS H 0.000 . 3.000 2.439 2.205 2.999 . 0 0 "[ . 1 . 2]" 1
8 1 7 LYS HA 1 8 ARG H 0.000 . 4.000 2.276 2.188 2.777 . 0 0 "[ . 1 . 2]" 1
9 1 7 LYS HA 1 72 GLN HG2 0.000 . 4.000 3.763 2.790 4.026 0.026 19 0 "[ . 1 . 2]" 1
10 1 7 LYS HA 1 73 MET H 0.000 . 5.000 4.648 3.479 4.928 . 0 0 "[ . 1 . 2]" 1
11 1 7 LYS HB2 1 72 GLN HG2 0.000 . 5.000 3.790 2.794 5.435 0.435 9 0 "[ . 1 . 2]" 1
12 1 8 ARG H 1 10 TYR QE 0.000 . 5.000 3.789 2.677 4.859 . 0 0 "[ . 1 . 2]" 1
13 1 8 ARG H 1 72 GLN HA 0.000 . 5.000 4.549 4.281 4.924 . 0 0 "[ . 1 . 2]" 1
14 1 8 ARG H 1 72 GLN HG2 0.000 . 5.000 3.296 2.909 4.399 . 0 0 "[ . 1 . 2]" 1
15 1 8 ARG H 1 73 MET H 0.000 . 4.000 3.189 3.004 3.614 . 0 0 "[ . 1 . 2]" 1
16 1 8 ARG H 1 74 VAL H 0.000 . 5.000 4.792 4.397 5.004 0.004 20 0 "[ . 1 . 2]" 1
17 1 8 ARG HA 1 73 MET H 0.000 . 5.000 4.926 4.740 5.011 0.011 16 0 "[ . 1 . 2]" 1
18 1 9 TRP H 1 103 ILE MD 0.000 . 5.000 4.762 4.527 4.933 . 0 0 "[ . 1 . 2]" 1
19 1 9 TRP H 1 103 ILE HG12 0.000 . 5.000 3.741 3.507 4.022 . 0 0 "[ . 1 . 2]" 1
20 1 9 TRP HA 1 10 TYR H 0.000 . 4.000 2.209 2.191 2.233 . 0 0 "[ . 1 . 2]" 1
21 1 9 TRP HA 1 72 GLN HA 0.000 . 3.000 2.062 1.880 2.274 . 0 0 "[ . 1 . 2]" 1
22 1 9 TRP HA 1 73 MET H 0.000 . 5.000 3.428 3.143 3.652 . 0 0 "[ . 1 . 2]" 1
23 1 9 TRP HB2 1 103 ILE H 0.000 . 5.000 3.825 3.627 3.968 . 0 0 "[ . 1 . 2]" 1
24 1 9 TRP HB2 1 103 ILE MG 0.000 . 5.000 4.579 4.229 4.794 . 0 0 "[ . 1 . 2]" 1
25 1 9 TRP HB2 1 108 VAL MG2 0.000 . 5.000 2.490 1.995 2.818 . 0 0 "[ . 1 . 2]" 1
26 1 9 TRP HB3 1 9 TRP HE1 0.000 . 5.000 5.219 5.202 5.237 0.237 7 0 "[ . 1 . 2]" 1
27 1 9 TRP HB3 1 103 ILE H 0.000 . 5.000 4.860 4.461 5.009 0.009 14 0 "[ . 1 . 2]" 1
28 1 9 TRP HB3 1 103 ILE MD 0.000 . 5.000 2.687 2.207 2.978 . 0 0 "[ . 1 . 2]" 1
29 1 9 TRP HB3 1 103 ILE MG 0.000 . 5.000 4.721 4.226 4.979 . 0 0 "[ . 1 . 2]" 1
30 1 9 TRP HB3 1 108 VAL MG2 0.000 . 5.000 2.223 1.976 2.538 . 0 0 "[ . 1 . 2]" 1
31 1 9 TRP HD1 1 103 ILE MD 0.000 . 5.000 4.947 4.497 5.005 0.005 14 0 "[ . 1 . 2]" 1
32 1 9 TRP HD1 1 105 ASP HA 0.000 . 4.000 2.958 2.212 3.432 . 0 0 "[ . 1 . 2]" 1
33 1 9 TRP HD1 1 108 VAL HB 0.000 . 5.000 4.714 4.222 5.002 0.002 16 0 "[ . 1 . 2]" 1
34 1 9 TRP HD1 1 108 VAL MG1 0.000 . 5.000 4.808 4.396 5.004 0.004 3 0 "[ . 1 . 2]" 1
35 1 9 TRP HD1 1 108 VAL MG2 0.000 . 4.000 3.246 2.771 3.720 . 0 0 "[ . 1 . 2]" 1
36 1 9 TRP HE1 1 72 GLN HE21 0.000 . 5.000 3.096 2.055 5.004 0.004 1 0 "[ . 1 . 2]" 1
37 1 9 TRP HE1 1 72 GLN HE22 0.000 . 5.000 3.435 2.728 4.228 . 0 0 "[ . 1 . 2]" 1
38 1 9 TRP HE1 1 105 ASP HA 0.000 . 5.000 4.178 3.537 4.762 . 0 0 "[ . 1 . 2]" 1
39 1 9 TRP HE3 1 10 TYR H 0.000 . 4.000 3.295 2.942 3.544 . 0 0 "[ . 1 . 2]" 1
40 1 9 TRP HE3 1 43 MET QG 0.000 . 5.000 4.060 3.357 4.791 . 0 0 "[ . 1 . 2]" 1
41 1 9 TRP HE3 1 70 LEU HA 0.000 . 5.000 4.044 3.765 4.254 . 0 0 "[ . 1 . 2]" 1
42 1 9 TRP HE3 1 70 LEU HB2 0.000 . 4.000 3.787 2.861 3.999 . 0 0 "[ . 1 . 2]" 1
43 1 9 TRP HE3 1 70 LEU HB3 0.000 . 3.000 2.642 2.289 2.802 . 0 0 "[ . 1 . 2]" 1
44 1 9 TRP HE3 1 70 LEU QD 0.000 . 5.000 3.939 3.490 4.136 . 0 0 "[ . 1 . 2]" 1
45 1 9 TRP HE3 1 71 VAL H 0.000 . 4.000 3.116 2.880 3.376 . 0 0 "[ . 1 . 2]" 1
46 1 9 TRP HE3 1 71 VAL QG 0.000 . 5.000 4.355 4.219 4.476 . 0 0 "[ . 1 . 2]" 1
47 1 9 TRP HE3 1 72 GLN H 0.000 . 5.000 3.385 3.195 3.605 . 0 0 "[ . 1 . 2]" 1
48 1 9 TRP HE3 1 72 GLN HA 0.000 . 5.000 3.459 3.274 3.763 . 0 0 "[ . 1 . 2]" 1
49 1 9 TRP HE3 1 103 ILE MD 0.000 . 5.000 4.677 3.989 4.990 . 0 0 "[ . 1 . 2]" 1
50 1 9 TRP HH2 1 41 GLU HB2 0.000 . 4.000 3.229 2.014 4.008 0.008 13 0 "[ . 1 . 2]" 1
51 1 9 TRP HH2 1 41 GLU HB3 0.000 . 4.000 2.711 2.210 3.442 . 0 0 "[ . 1 . 2]" 1
52 1 9 TRP HH2 1 41 GLU HG2 0.000 . 5.000 4.116 2.682 5.494 0.494 11 0 "[ . 1 . 2]" 1
53 1 9 TRP HH2 1 43 MET ME 0.000 . 5.000 3.912 2.144 4.854 . 0 0 "[ . 1 . 2]" 1
54 1 9 TRP HH2 1 43 MET QG 0.000 . 3.000 2.517 1.959 2.819 . 0 0 "[ . 1 . 2]" 1
55 1 9 TRP HH2 1 72 GLN H 0.000 . 5.000 3.740 3.324 4.086 . 0 0 "[ . 1 . 2]" 1
56 1 9 TRP HH2 1 108 VAL MG1 0.000 . 5.000 4.687 4.129 5.007 0.007 8 0 "[ . 1 . 2]" 1
57 1 9 TRP HZ2 1 41 GLU HB2 0.000 . 5.000 3.932 2.670 4.926 . 0 0 "[ . 1 . 2]" 1
58 1 9 TRP HZ2 1 41 GLU HB3 0.000 . 5.000 3.864 2.450 5.004 0.004 17 0 "[ . 1 . 2]" 1
59 1 9 TRP HZ2 1 43 MET HG3 0.000 . 5.000 4.769 4.089 5.073 0.073 14 0 "[ . 1 . 2]" 1
60 1 9 TRP HZ2 1 72 GLN HG3 0.000 . 5.000 4.614 3.772 5.001 0.001 10 0 "[ . 1 . 2]" 1
61 1 9 TRP HZ2 1 108 VAL MG1 0.000 . 5.000 4.571 4.178 5.005 0.005 8 0 "[ . 1 . 2]" 1
62 1 9 TRP HZ3 1 42 VAL HA 0.000 . 5.000 3.143 2.737 3.651 . 0 0 "[ . 1 . 2]" 1
63 1 9 TRP HZ3 1 43 MET H 0.000 . 5.000 3.337 3.054 3.632 . 0 0 "[ . 1 . 2]" 1
64 1 9 TRP HZ3 1 43 MET HB2 0.000 . 5.000 3.543 2.918 4.018 . 0 0 "[ . 1 . 2]" 1
65 1 9 TRP HZ3 1 43 MET HB3 0.000 . 5.000 4.781 4.447 5.007 0.007 15 0 "[ . 1 . 2]" 1
66 1 9 TRP HZ3 1 43 MET ME 0.000 . 5.000 3.855 2.327 4.812 . 0 0 "[ . 1 . 2]" 1
67 1 9 TRP HZ3 1 43 MET HG3 0.000 . 4.000 2.444 1.878 3.175 . 0 0 "[ . 1 . 2]" 1
68 1 9 TRP HZ3 1 70 LEU HB2 0.000 . 4.000 3.630 3.069 3.900 . 0 0 "[ . 1 . 2]" 1
69 1 9 TRP HZ3 1 70 LEU HB3 0.000 . 4.000 3.651 3.236 3.974 . 0 0 "[ . 1 . 2]" 1
70 1 9 TRP HZ3 1 70 LEU QD 0.000 . 5.000 4.498 4.267 4.635 . 0 0 "[ . 1 . 2]" 1
71 1 9 TRP HZ3 1 71 VAL H 0.000 . 5.000 4.040 3.552 4.375 . 0 0 "[ . 1 . 2]" 1
72 1 9 TRP HZ3 1 71 VAL HA 0.000 . 5.000 2.511 2.089 2.905 . 0 0 "[ . 1 . 2]" 1
73 1 9 TRP HZ3 1 71 VAL QG 0.000 . 5.000 3.748 3.369 4.033 . 0 0 "[ . 1 . 2]" 1
74 1 9 TRP HZ3 1 72 GLN H 0.000 . 5.000 2.658 2.308 2.930 . 0 0 "[ . 1 . 2]" 1
75 1 10 TYR H 1 70 LEU HB3 0.000 . 5.000 4.670 3.483 5.008 0.008 17 0 "[ . 1 . 2]" 1
76 1 10 TYR H 1 71 VAL H 0.000 . 5.000 3.017 2.445 3.213 . 0 0 "[ . 1 . 2]" 1
77 1 10 TYR H 1 71 VAL QG 0.000 . 5.000 4.434 4.161 4.607 . 0 0 "[ . 1 . 2]" 1
78 1 10 TYR H 1 72 GLN HA 0.000 . 5.000 3.100 2.928 3.522 . 0 0 "[ . 1 . 2]" 1
79 1 10 TYR H 1 72 GLN HG3 0.000 . 5.000 4.922 4.842 5.009 0.009 18 0 "[ . 1 . 2]" 1
80 1 10 TYR H 1 73 MET H 0.000 . 5.000 3.986 3.686 4.232 . 0 0 "[ . 1 . 2]" 1
81 1 10 TYR H 1 73 MET HB3 0.000 . 5.000 4.973 4.749 5.018 0.018 14 0 "[ . 1 . 2]" 1
82 1 10 TYR HA 1 11 VAL H 0.000 . 3.000 2.338 2.242 2.436 . 0 0 "[ . 1 . 2]" 1
83 1 10 TYR HA 1 75 MET ME 0.000 . 5.000 4.700 3.937 5.008 0.008 10 0 "[ . 1 . 2]" 1
84 1 10 TYR HB2 1 92 PHE QD 0.000 . 5.000 4.479 3.711 5.013 0.013 16 0 "[ . 1 . 2]" 1
85 1 10 TYR HB3 1 92 PHE QD 0.000 . 5.000 3.190 2.439 3.929 . 0 0 "[ . 1 . 2]" 1
86 1 10 TYR QD 1 73 MET QG 0.000 . 6.000 4.281 3.557 5.025 . 0 0 "[ . 1 . 2]" 1
87 1 10 TYR QD 1 75 MET ME 0.000 . 5.000 2.810 2.335 3.256 . 0 0 "[ . 1 . 2]" 1
88 1 10 TYR QD 1 100 PRO HB2 0.000 . 5.000 2.424 1.868 3.497 . 0 0 "[ . 1 . 2]" 1
89 1 10 TYR QD 1 100 PRO HB3 0.000 . 5.000 4.065 3.496 5.003 0.003 20 0 "[ . 1 . 2]" 1
90 1 10 TYR QD 1 102 PRO HD3 0.000 . 6.000 5.086 4.472 5.600 . 0 0 "[ . 1 . 2]" 1
91 1 10 TYR QE 1 75 MET ME 0.000 . 5.000 3.022 2.446 3.931 . 0 0 "[ . 1 . 2]" 1
92 1 11 VAL H 1 11 VAL HB 0.000 . 3.000 2.587 2.380 2.732 . 0 0 "[ . 1 . 2]" 1
93 1 11 VAL H 1 92 PHE QD 0.000 . 5.000 3.863 3.154 5.002 0.002 16 0 "[ . 1 . 2]" 1
94 1 11 VAL H 1 93 ILE H 0.000 . 5.000 3.902 3.501 4.415 . 0 0 "[ . 1 . 2]" 1
95 1 11 VAL H 1 93 ILE HB 0.000 . 5.000 3.906 3.181 4.374 . 0 0 "[ . 1 . 2]" 1
96 1 11 VAL H 1 103 ILE MD 0.000 . 5.000 4.645 3.996 5.003 0.003 15 0 "[ . 1 . 2]" 1
97 1 11 VAL HA 1 11 VAL MG1 0.000 . 3.000 2.264 2.154 2.431 . 0 0 "[ . 1 . 2]" 1
98 1 11 VAL HA 1 11 VAL MG2 0.000 . 3.000 2.419 2.263 2.558 . 0 0 "[ . 1 . 2]" 1
99 1 11 VAL HA 1 12 VAL H 0.000 . 4.000 2.273 2.203 2.385 . 0 0 "[ . 1 . 2]" 1
100 1 11 VAL HA 1 69 VAL H 0.000 . 5.000 4.401 4.093 4.754 . 0 0 "[ . 1 . 2]" 1
101 1 11 VAL HA 1 70 LEU HA 0.000 . 4.000 2.500 1.978 3.075 . 0 0 "[ . 1 . 2]" 1
102 1 11 VAL HA 1 70 LEU QD 0.000 . 5.000 3.636 2.163 4.389 . 0 0 "[ . 1 . 2]" 1
103 1 11 VAL HA 1 70 LEU HG 0.000 . 5.000 3.533 2.463 4.990 . 0 0 "[ . 1 . 2]" 1
104 1 11 VAL HA 1 71 VAL H 0.000 . 4.000 3.625 3.347 4.002 0.002 17 0 "[ . 1 . 2]" 1
105 1 11 VAL HB 1 68 TYR QE 0.000 . 5.000 4.598 3.923 5.003 0.003 20 0 "[ . 1 . 2]" 1
106 1 11 VAL HB 1 93 ILE HB 0.000 . 3.000 1.878 1.854 1.924 . 0 0 "[ . 1 . 2]" 1
107 1 11 VAL HB 1 93 ILE MG 0.000 . 5.000 3.381 3.013 3.667 . 0 0 "[ . 1 . 2]" 1
108 1 11 VAL MG1 1 68 TYR QD 0.000 . 3.000 2.543 1.759 2.998 . 0 0 "[ . 1 . 2]" 1
109 1 11 VAL MG1 1 68 TYR QE 0.000 . 4.000 2.719 1.819 3.178 . 0 0 "[ . 1 . 2]" 1
110 1 11 VAL MG1 1 93 ILE H 0.000 . 5.000 4.037 3.111 4.876 . 0 0 "[ . 1 . 2]" 1
111 1 11 VAL MG1 1 93 ILE MG 0.000 . 5.000 3.122 2.382 3.527 . 0 0 "[ . 1 . 2]" 1
112 1 11 VAL MG2 1 68 TYR QE 0.000 . 4.000 3.768 2.645 4.009 0.009 5 0 "[ . 1 . 2]" 1
113 1 11 VAL MG2 1 93 ILE H 0.000 . 5.000 4.549 3.742 4.991 . 0 0 "[ . 1 . 2]" 1
114 1 11 VAL MG2 1 93 ILE HB 0.000 . 5.000 3.015 2.487 3.326 . 0 0 "[ . 1 . 2]" 1
115 1 11 VAL MG2 1 93 ILE MD 0.000 . 5.000 4.594 2.603 5.019 0.019 12 0 "[ . 1 . 2]" 1
116 1 11 VAL MG2 1 93 ILE HG12 0.000 . 5.000 4.703 4.398 5.008 0.008 19 0 "[ . 1 . 2]" 1
117 1 11 VAL MG2 1 93 ILE HG13 0.000 . 5.000 4.206 3.863 4.544 . 0 0 "[ . 1 . 2]" 1
118 1 12 VAL H 1 12 VAL HB 0.000 . 3.000 2.682 2.617 2.837 . 0 0 "[ . 1 . 2]" 1
119 1 12 VAL H 1 69 VAL H 0.000 . 4.000 2.724 2.441 3.291 . 0 0 "[ . 1 . 2]" 1
120 1 12 VAL H 1 70 LEU HA 0.000 . 4.000 3.500 2.790 3.975 . 0 0 "[ . 1 . 2]" 1
121 1 12 VAL HA 1 12 VAL MG2 0.000 . 3.000 2.355 2.277 2.482 . 0 0 "[ . 1 . 2]" 1
122 1 12 VAL HA 1 13 GLN H 0.000 . 4.000 2.199 2.191 2.219 . 0 0 "[ . 1 . 2]" 1
123 1 12 VAL HA 1 92 PHE HA 0.000 . 3.000 2.890 2.638 3.008 0.008 20 0 "[ . 1 . 2]" 1
124 1 12 VAL HA 1 93 ILE H 0.000 . 4.000 3.939 3.299 4.012 0.012 4 0 "[ . 1 . 2]" 1
125 1 12 VAL MG1 1 13 GLN H 0.000 . 4.000 2.702 2.452 3.168 . 0 0 "[ . 1 . 2]" 1
126 1 12 VAL MG1 1 71 VAL QG 0.000 . 4.000 3.804 3.358 3.920 . 0 0 "[ . 1 . 2]" 1
127 1 12 VAL MG1 1 83 VAL MG2 0.000 . 5.000 3.775 3.138 4.339 . 0 0 "[ . 1 . 2]" 1
128 1 12 VAL MG1 1 92 PHE HA 0.000 . 5.000 4.005 3.572 4.353 . 0 0 "[ . 1 . 2]" 1
129 1 12 VAL MG1 1 92 PHE QD 0.000 . 5.000 4.415 3.890 4.836 . 0 0 "[ . 1 . 2]" 1
130 1 12 VAL MG2 1 71 VAL H 0.000 . 5.000 3.414 3.059 3.854 . 0 0 "[ . 1 . 2]" 1
131 1 12 VAL MG2 1 71 VAL HB 0.000 . 4.000 2.736 2.241 3.037 . 0 0 "[ . 1 . 2]" 1
132 1 12 VAL MG2 1 83 VAL MG2 0.000 . 5.000 3.441 2.618 3.704 . 0 0 "[ . 1 . 2]" 1
133 1 12 VAL MG2 1 92 PHE HA 0.000 . 5.000 4.168 3.922 4.424 . 0 0 "[ . 1 . 2]" 1
134 1 12 VAL MG2 1 92 PHE QD 0.000 . 4.000 3.451 2.940 3.882 . 0 0 "[ . 1 . 2]" 1
135 1 12 VAL MG2 1 92 PHE QE 0.000 . 4.000 2.681 1.853 3.920 . 0 0 "[ . 1 . 2]" 1
136 1 13 GLN H 1 91 GLY H 0.000 . 5.000 3.235 2.943 4.004 . 0 0 "[ . 1 . 2]" 1
137 1 13 GLN H 1 92 PHE HA 0.000 . 4.000 3.085 2.795 3.365 . 0 0 "[ . 1 . 2]" 1
138 1 13 GLN HA 1 68 TYR HA 0.000 . 4.000 3.160 2.793 3.803 . 0 0 "[ . 1 . 2]" 1
139 1 13 GLN HA 1 69 VAL H 0.000 . 5.000 3.961 3.644 4.506 . 0 0 "[ . 1 . 2]" 1
140 1 13 GLN QB 1 91 GLY H 0.000 . 5.000 2.117 1.870 2.579 . 0 0 "[ . 1 . 2]" 1
141 1 13 GLN HE21 1 90 MET ME 0.000 . 5.000 3.326 2.100 4.926 . 0 0 "[ . 1 . 2]" 1
142 1 13 GLN HE21 1 93 ILE MD 0.000 . 6.000 3.650 1.779 5.327 . 0 0 "[ . 1 . 2]" 1
143 1 13 GLN HE22 1 90 MET ME 0.000 . 5.000 3.418 2.064 4.985 . 0 0 "[ . 1 . 2]" 1
144 1 13 GLN HE22 1 93 ILE MD 0.000 . 6.000 3.855 2.629 5.412 . 0 0 "[ . 1 . 2]" 1
145 1 13 GLN QG 1 91 GLY H 0.000 . 5.000 3.846 3.511 4.461 . 0 0 "[ . 1 . 2]" 1
146 1 13 GLN QG 1 93 ILE MD 0.000 . 5.000 2.556 1.760 3.289 . 0 0 "[ . 1 . 2]" 1
147 1 14 ALA HA 1 15 PHE H 0.000 . 3.000 2.486 2.314 2.936 . 0 0 "[ . 1 . 2]" 1
148 1 14 ALA HA 1 22 VAL MG2 0.000 . 5.000 3.598 3.058 4.175 . 0 0 "[ . 1 . 2]" 1
149 1 14 ALA HA 1 89 VAL H 0.000 . 5.000 4.832 4.556 5.011 0.011 7 0 "[ . 1 . 2]" 1
150 1 14 ALA HA 1 89 VAL HA 0.000 . 3.000 2.319 1.928 2.629 . 0 0 "[ . 1 . 2]" 1
151 1 14 ALA HA 1 89 VAL QG 0.000 . 5.000 3.371 2.647 3.666 . 0 0 "[ . 1 . 2]" 1
152 1 14 ALA HA 1 90 MET H 0.000 . 4.000 2.195 1.867 3.126 . 0 0 "[ . 1 . 2]" 1
153 1 14 ALA HA 1 90 MET QG 0.000 . 6.000 2.840 2.231 4.269 . 0 0 "[ . 1 . 2]" 1
154 1 14 ALA MB 1 15 PHE H 0.000 . 4.000 2.502 1.872 2.827 . 0 0 "[ . 1 . 2]" 1
155 1 14 ALA MB 1 18 PHE H 0.000 . 5.000 4.686 4.403 5.009 0.009 10 0 "[ . 1 . 2]" 1
156 1 14 ALA MB 1 19 GLU HA 0.000 . 4.000 2.355 1.848 3.213 . 0 0 "[ . 1 . 2]" 1
157 1 14 ALA MB 1 22 VAL H 0.000 . 5.000 4.337 3.897 4.972 . 0 0 "[ . 1 . 2]" 1
158 1 14 ALA MB 1 22 VAL MG1 0.000 . 5.000 2.444 1.884 3.224 . 0 0 "[ . 1 . 2]" 1
159 1 14 ALA MB 1 69 VAL HB 0.000 . 5.000 4.233 3.006 4.662 . 0 0 "[ . 1 . 2]" 1
160 1 15 PHE H 1 15 PHE HB2 0.000 . 3.000 2.507 2.417 2.802 . 0 0 "[ . 1 . 2]" 1
161 1 15 PHE H 1 18 PHE HB3 0.000 . 5.000 5.006 4.137 5.828 0.828 20 3 "[ * . 1 - +]" 1
162 1 15 PHE H 1 19 GLU HA 0.000 . 5.000 4.799 4.067 5.004 0.004 5 0 "[ . 1 . 2]" 1
163 1 15 PHE H 1 88 ARG HA 0.000 . 5.000 4.239 3.745 4.901 . 0 0 "[ . 1 . 2]" 1
164 1 15 PHE H 1 89 VAL HA 0.000 . 4.000 3.842 3.560 4.001 0.001 3 0 "[ . 1 . 2]" 1
165 1 15 PHE H 1 90 MET QG 0.000 . 5.000 3.573 2.952 4.508 . 0 0 "[ . 1 . 2]" 1
166 1 15 PHE HA 1 16 SER H 0.000 . 3.000 2.264 2.217 2.310 . 0 0 "[ . 1 . 2]" 1
167 1 15 PHE HB2 1 18 PHE H 0.000 . 5.000 3.993 3.535 5.007 0.007 10 0 "[ . 1 . 2]" 1
168 1 15 PHE HB2 1 18 PHE QD 0.000 . 4.000 2.618 1.873 3.033 . 0 0 "[ . 1 . 2]" 1
169 1 15 PHE HB2 1 18 PHE HE2 0.000 . 5.000 4.595 3.731 5.000 . 0 0 "[ . 1 . 2]" 1
170 1 15 PHE HB2 1 88 ARG HD3 0.000 . 5.000 4.403 3.489 5.070 0.070 14 0 "[ . 1 . 2]" 1
171 1 15 PHE HB2 1 88 ARG QG 0.000 . 6.000 4.370 2.893 5.152 . 0 0 "[ . 1 . 2]" 1
172 1 15 PHE HB3 1 18 PHE H 0.000 . 5.000 4.257 3.325 4.582 . 0 0 "[ . 1 . 2]" 1
173 1 15 PHE HB3 1 18 PHE QD 0.000 . 4.000 2.890 1.886 3.608 . 0 0 "[ . 1 . 2]" 1
174 1 15 PHE HB3 1 18 PHE HE2 0.000 . 5.000 4.313 3.364 4.855 . 0 0 "[ . 1 . 2]" 1
175 1 16 SER HA 1 17 GLY H 0.000 . 3.000 2.267 2.194 2.327 . 0 0 "[ . 1 . 2]" 1
176 1 16 SER QB 1 18 PHE H 0.000 . 6.000 4.550 4.424 4.714 . 0 0 "[ . 1 . 2]" 1
177 1 17 GLY H 1 18 PHE H 0.000 . 3.000 2.928 2.612 3.003 0.003 8 0 "[ . 1 . 2]" 1
178 1 17 GLY H 1 19 GLU H 0.000 . 4.000 3.014 2.910 3.084 . 0 0 "[ . 1 . 2]" 1
179 1 17 GLY HA3 1 18 PHE H 0.000 . 5.000 2.961 2.919 3.123 . 0 0 "[ . 1 . 2]" 1
180 1 18 PHE H 1 19 GLU H 0.000 . 3.000 2.290 2.156 2.539 . 0 0 "[ . 1 . 2]" 1
181 1 18 PHE HA 1 21 ARG H 0.000 . 5.000 3.049 2.746 3.188 . 0 0 "[ . 1 . 2]" 1
182 1 18 PHE HA 1 21 ARG HB2 0.000 . 5.000 3.444 2.573 3.909 . 0 0 "[ . 1 . 2]" 1
183 1 18 PHE HA 1 21 ARG HB3 0.000 . 5.000 3.063 2.610 3.452 . 0 0 "[ . 1 . 2]" 1
184 1 18 PHE QD 1 88 ARG QB 0.000 . 6.000 3.932 2.975 5.154 . 0 0 "[ . 1 . 2]" 1
185 1 18 PHE HE2 1 88 ARG QD 0.000 . 5.000 4.701 3.689 5.004 0.004 13 0 "[ . 1 . 2]" 1
186 1 19 GLU H 1 20 GLY H 0.000 . 4.000 2.776 2.652 2.858 . 0 0 "[ . 1 . 2]" 1
187 1 19 GLU H 1 67 GLY H 0.000 . 5.000 4.920 4.619 5.005 0.005 6 0 "[ . 1 . 2]" 1
188 1 19 GLU HA 1 22 VAL H 0.000 . 5.000 3.801 3.520 4.390 . 0 0 "[ . 1 . 2]" 1
189 1 19 GLU HA 1 22 VAL HB 0.000 . 5.000 2.949 2.463 3.982 . 0 0 "[ . 1 . 2]" 1
190 1 19 GLU HA 1 22 VAL MG2 0.000 . 5.000 2.925 2.385 3.741 . 0 0 "[ . 1 . 2]" 1
191 1 19 GLU HA 1 44 VAL MG1 0.000 . 6.000 5.744 4.756 6.377 0.377 16 0 "[ . 1 . 2]" 1
192 1 19 GLU HA 1 69 VAL MG2 0.000 . 4.000 3.246 2.437 3.816 . 0 0 "[ . 1 . 2]" 1
193 1 19 GLU QB 1 20 GLY H 0.000 . 4.000 2.848 2.460 3.464 . 0 0 "[ . 1 . 2]" 1
194 1 19 GLU QG 1 44 VAL MG1 0.000 . 6.000 3.641 2.683 5.028 . 0 0 "[ . 1 . 2]" 1
195 1 19 GLU QG 1 44 VAL MG2 0.000 . 6.000 4.168 2.012 6.004 0.004 14 0 "[ . 1 . 2]" 1
196 1 19 GLU QG 1 46 THR MG 0.000 . 5.000 3.204 2.092 4.851 . 0 0 "[ . 1 . 2]" 1
197 1 19 GLU QG 1 69 VAL MG1 0.000 . 6.000 4.214 3.471 5.359 . 0 0 "[ . 1 . 2]" 1
198 1 19 GLU QG 1 69 VAL MG2 0.000 . 5.000 2.330 1.630 3.739 . 0 0 "[ . 1 . 2]" 1
199 1 20 GLY H 1 21 ARG H 0.000 . 4.000 2.625 2.289 2.781 . 0 0 "[ . 1 . 2]" 1
200 1 20 GLY H 1 22 VAL H 0.000 . 5.000 4.095 3.626 4.489 . 0 0 "[ . 1 . 2]" 1
201 1 20 GLY H 1 44 VAL MG2 0.000 . 5.000 5.254 3.524 5.806 0.806 6 8 "[- *+* *1* . **2]" 1
202 1 20 GLY QA 1 21 ARG H 0.000 . 5.000 2.677 2.563 2.785 . 0 0 "[ . 1 . 2]" 1
203 1 20 GLY QA 1 22 VAL H 0.000 . 5.000 4.121 3.859 4.409 . 0 0 "[ . 1 . 2]" 1
204 1 20 GLY QA 1 23 ALA H 0.000 . 5.000 3.476 3.251 3.584 . 0 0 "[ . 1 . 2]" 1
205 1 20 GLY QA 1 23 ALA MB 0.000 . 5.000 2.919 2.348 3.227 . 0 0 "[ . 1 . 2]" 1
206 1 20 GLY QA 1 44 VAL MG2 0.000 . 4.000 3.082 2.478 3.570 . 0 0 "[ . 1 . 2]" 1
207 1 21 ARG H 1 22 VAL H 0.000 . 4.000 2.780 2.664 2.965 . 0 0 "[ . 1 . 2]" 1
208 1 21 ARG H 1 23 ALA H 0.000 . 5.000 4.267 4.101 4.462 . 0 0 "[ . 1 . 2]" 1
209 1 21 ARG HA 1 23 ALA H 0.000 . 5.000 4.214 4.060 4.417 . 0 0 "[ . 1 . 2]" 1
210 1 21 ARG HA 1 24 THR H 0.000 . 5.000 3.232 3.138 3.364 . 0 0 "[ . 1 . 2]" 1
211 1 21 ARG HA 1 24 THR MG 0.000 . 5.000 4.257 3.972 4.692 . 0 0 "[ . 1 . 2]" 1
212 1 21 ARG HA 1 25 SER H 0.000 . 5.000 4.189 3.875 4.683 . 0 0 "[ . 1 . 2]" 1
213 1 21 ARG QB 1 24 THR H 0.000 . 6.000 4.880 4.765 5.055 . 0 0 "[ . 1 . 2]" 1
214 1 21 ARG HG2 1 24 THR H 0.000 . 5.000 4.823 4.648 5.000 0.000 14 0 "[ . 1 . 2]" 1
215 1 21 ARG HG3 1 24 THR H 0.000 . 5.000 4.962 4.889 5.003 0.003 16 0 "[ . 1 . 2]" 1
216 1 22 VAL H 1 22 VAL HB 0.000 . 2.700 2.467 2.414 2.569 . 0 0 "[ . 1 . 2]" 1
217 1 22 VAL H 1 22 VAL MG2 0.000 . 3.000 2.318 2.077 2.459 . 0 0 "[ . 1 . 2]" 1
218 1 22 VAL H 1 23 ALA H 0.000 . 4.000 2.849 2.730 2.932 . 0 0 "[ . 1 . 2]" 1
219 1 22 VAL H 1 24 THR H 0.000 . 5.000 4.314 4.141 4.718 . 0 0 "[ . 1 . 2]" 1
220 1 22 VAL H 1 88 ARG QB 0.000 . 5.000 4.357 3.931 4.613 . 0 0 "[ . 1 . 2]" 1
221 1 22 VAL HA 1 25 SER H 0.000 . 5.000 3.447 3.307 3.605 . 0 0 "[ . 1 . 2]" 1
222 1 22 VAL HA 1 25 SER HB2 0.000 . 5.000 3.126 2.317 4.487 . 0 0 "[ . 1 . 2]" 1
223 1 22 VAL HA 1 25 SER HB3 0.000 . 5.000 4.097 2.586 4.776 . 0 0 "[ . 1 . 2]" 1
224 1 22 VAL HA 1 26 LEU H 0.000 . 5.000 4.182 3.346 4.967 . 0 0 "[ . 1 . 2]" 1
225 1 22 VAL HA 1 86 VAL QG 0.000 . 5.000 3.283 2.465 4.493 . 0 0 "[ . 1 . 2]" 1
226 1 22 VAL MG1 1 69 VAL HB 0.000 . 5.000 4.452 3.906 4.957 . 0 0 "[ . 1 . 2]" 1
227 1 22 VAL MG2 1 86 VAL QG 0.000 . 5.000 3.437 2.433 4.662 . 0 0 "[ . 1 . 2]" 1
228 1 22 VAL MG2 1 89 VAL H 0.000 . 5.000 4.339 3.706 4.828 . 0 0 "[ . 1 . 2]" 1
229 1 22 VAL MG2 1 89 VAL HA 0.000 . 5.000 3.379 2.695 3.917 . 0 0 "[ . 1 . 2]" 1
230 1 22 VAL MG2 1 89 VAL QG 0.000 . 4.000 3.135 2.789 3.658 . 0 0 "[ . 1 . 2]" 1
231 1 23 ALA H 1 24 THR H 0.000 . 4.000 2.721 2.620 2.943 . 0 0 "[ . 1 . 2]" 1
232 1 23 ALA H 1 69 VAL MG1 0.000 . 5.000 4.692 4.193 4.952 . 0 0 "[ . 1 . 2]" 1
233 1 23 ALA H 1 69 VAL MG2 0.000 . 5.000 4.348 3.679 4.792 . 0 0 "[ . 1 . 2]" 1
234 1 23 ALA HA 1 26 LEU H 0.000 . 5.000 3.569 3.318 3.978 . 0 0 "[ . 1 . 2]" 1
235 1 23 ALA HA 1 26 LEU HB3 0.000 . 5.000 3.907 2.786 4.967 . 0 0 "[ . 1 . 2]" 1
236 1 23 ALA HA 1 42 VAL MG1 0.000 . 5.000 3.706 2.872 4.700 . 0 0 "[ . 1 . 2]" 1
237 1 23 ALA HA 1 42 VAL QG 0.000 . 5.000 3.395 2.769 4.034 . 0 0 "[ . 1 . 2]" 1
238 1 23 ALA HA 1 69 VAL MG1 0.000 . 5.000 4.176 3.396 4.729 . 0 0 "[ . 1 . 2]" 1
239 1 23 ALA MB 1 24 THR H 0.000 . 4.000 2.555 2.174 2.743 . 0 0 "[ . 1 . 2]" 1
240 1 23 ALA MB 1 27 ARG H 0.000 . 5.000 4.905 4.774 4.996 . 0 0 "[ . 1 . 2]" 1
241 1 23 ALA MB 1 42 VAL QG 0.000 . 5.000 2.413 1.720 2.779 . 0 0 "[ . 1 . 2]" 1
242 1 23 ALA MB 1 44 VAL MG2 0.000 . 4.000 2.725 1.882 3.538 . 0 0 "[ . 1 . 2]" 1
243 1 24 THR H 1 25 SER H 0.000 . 4.000 2.684 2.553 2.782 . 0 0 "[ . 1 . 2]" 1
244 1 24 THR H 1 26 LEU H 0.000 . 5.000 4.197 3.927 4.542 . 0 0 "[ . 1 . 2]" 1
245 1 24 THR HA 1 27 ARG H 0.000 . 5.000 3.615 3.387 4.106 . 0 0 "[ . 1 . 2]" 1
246 1 24 THR HA 1 27 ARG HB2 0.000 . 5.000 3.658 3.285 4.507 . 0 0 "[ . 1 . 2]" 1
247 1 24 THR HA 1 27 ARG HB3 0.000 . 5.000 3.406 2.839 3.783 . 0 0 "[ . 1 . 2]" 1
248 1 24 THR HB 1 25 SER H 0.000 . 4.000 2.548 2.351 2.769 . 0 0 "[ . 1 . 2]" 1
249 1 24 THR MG 1 25 SER H 0.000 . 5.000 3.528 3.330 3.704 . 0 0 "[ . 1 . 2]" 1
250 1 24 THR MG 1 28 GLU QG 0.000 . 5.000 3.917 3.140 4.765 . 0 0 "[ . 1 . 2]" 1
251 1 25 SER H 1 26 LEU H 0.000 . 4.000 2.749 2.620 2.995 . 0 0 "[ . 1 . 2]" 1
252 1 25 SER H 1 27 ARG H 0.000 . 5.000 4.484 4.206 5.002 0.002 19 0 "[ . 1 . 2]" 1
253 1 25 SER H 1 86 VAL QG 0.000 . 5.000 4.231 3.699 4.796 . 0 0 "[ . 1 . 2]" 1
254 1 25 SER HA 1 28 GLU H 0.000 . 4.000 3.431 3.243 3.716 . 0 0 "[ . 1 . 2]" 1
255 1 25 SER HA 1 28 GLU HB2 0.000 . 5.000 2.957 2.618 3.392 . 0 0 "[ . 1 . 2]" 1
256 1 25 SER HA 1 28 GLU HB3 0.000 . 5.000 3.945 2.473 4.933 . 0 0 "[ . 1 . 2]" 1
257 1 25 SER HA 1 28 GLU QG 0.000 . 5.000 3.688 2.911 4.479 . 0 0 "[ . 1 . 2]" 1
258 1 25 SER HA 1 29 HIS H 0.000 . 5.000 4.351 3.745 4.967 . 0 0 "[ . 1 . 2]" 1
259 1 25 SER HA 1 29 HIS HD2 0.000 . 5.000 4.120 3.474 4.984 . 0 0 "[ . 1 . 2]" 1
260 1 25 SER HA 1 86 VAL QG 0.000 . 5.000 4.153 3.535 4.798 . 0 0 "[ . 1 . 2]" 1
261 1 25 SER HB2 1 86 VAL QG 0.000 . 4.000 2.489 1.744 3.471 . 0 0 "[ . 1 . 2]" 1
262 1 25 SER HB3 1 86 VAL QG 0.000 . 4.000 2.693 1.868 3.930 . 0 0 "[ . 1 . 2]" 1
263 1 26 LEU H 1 27 ARG H 0.000 . 4.000 2.904 2.722 3.197 . 0 0 "[ . 1 . 2]" 1
264 1 26 LEU H 1 28 GLU H 0.000 . 5.000 4.211 3.995 4.429 . 0 0 "[ . 1 . 2]" 1
265 1 26 LEU H 1 86 VAL QG 0.000 . 5.000 3.093 2.315 3.631 . 0 0 "[ . 1 . 2]" 1
266 1 26 LEU HA 1 29 HIS H 0.000 . 5.000 3.476 3.239 3.750 . 0 0 "[ . 1 . 2]" 1
267 1 26 LEU HA 1 29 HIS HB2 0.000 . 5.000 3.019 2.563 3.415 . 0 0 "[ . 1 . 2]" 1
268 1 26 LEU HA 1 29 HIS HB3 0.000 . 5.000 4.652 4.279 5.013 0.013 3 0 "[ . 1 . 2]" 1
269 1 26 LEU HA 1 29 HIS HD2 0.000 . 5.000 2.318 1.877 3.034 . 0 0 "[ . 1 . 2]" 1
270 1 26 LEU QD 1 27 ARG H 0.000 . 5.000 3.767 2.966 4.040 . 0 0 "[ . 1 . 2]" 1
271 1 26 LEU QD 1 29 HIS HD2 0.000 . 4.000 3.225 2.506 3.868 . 0 0 "[ . 1 . 2]" 1
272 1 26 LEU QD 1 71 VAL QG 0.000 . 3.000 2.024 1.829 2.169 . 0 0 "[ . 1 . 2]" 1
273 1 26 LEU QD 1 71 VAL QG 0.000 . 3.000 2.394 1.930 2.797 . 0 0 "[ . 1 . 2]" 1
274 1 26 LEU HG 1 29 HIS HD2 0.000 . 5.000 4.559 3.539 5.006 0.006 10 0 "[ . 1 . 2]" 1
275 1 27 ARG H 1 28 GLU H 0.000 . 4.000 2.839 2.632 3.058 . 0 0 "[ . 1 . 2]" 1
276 1 27 ARG H 1 29 HIS H 0.000 . 5.000 4.464 4.268 4.652 . 0 0 "[ . 1 . 2]" 1
277 1 27 ARG H 1 30 ILE MD 0.000 . 5.000 4.124 3.041 4.936 . 0 0 "[ . 1 . 2]" 1
278 1 27 ARG H 1 86 VAL QG 0.000 . 6.000 4.868 4.240 5.292 . 0 0 "[ . 1 . 2]" 1
279 1 27 ARG HA 1 28 GLU H 0.000 . 4.000 3.554 3.491 3.587 . 0 0 "[ . 1 . 2]" 1
280 1 27 ARG HA 1 30 ILE H 0.000 . 4.000 3.490 3.080 4.003 0.003 11 0 "[ . 1 . 2]" 1
281 1 27 ARG HA 1 30 ILE HB 0.000 . 5.000 2.611 1.878 3.042 . 0 0 "[ . 1 . 2]" 1
282 1 27 ARG HA 1 30 ILE MD 0.000 . 4.000 3.047 1.844 3.982 . 0 0 "[ . 1 . 2]" 1
283 1 27 ARG HA 1 30 ILE MG 0.000 . 4.000 3.837 3.235 4.006 0.006 13 0 "[ . 1 . 2]" 1
284 1 27 ARG HA 1 31 LYS H 0.000 . 5.000 3.744 3.317 4.399 . 0 0 "[ . 1 . 2]" 1
285 1 27 ARG HG2 1 28 GLU HA 0.000 . 5.000 3.860 3.633 5.192 0.192 16 0 "[ . 1 . 2]" 1
286 1 27 ARG HG3 1 42 VAL QG 0.000 . 6.000 5.518 4.548 6.212 0.212 16 0 "[ . 1 . 2]" 1
287 1 28 GLU H 1 29 HIS H 0.000 . 4.000 2.786 2.672 2.918 . 0 0 "[ . 1 . 2]" 1
288 1 28 GLU H 1 30 ILE H 0.000 . 5.000 4.032 3.803 4.270 . 0 0 "[ . 1 . 2]" 1
289 1 28 GLU H 1 31 LYS H 0.000 . 5.000 4.742 4.346 5.021 0.021 5 0 "[ . 1 . 2]" 1
290 1 28 GLU HA 1 31 LYS H 0.000 . 5.000 3.740 3.459 4.028 . 0 0 "[ . 1 . 2]" 1
291 1 28 GLU QG 1 32 LEU HG 0.000 . 5.000 4.300 3.105 4.809 . 0 0 "[ . 1 . 2]" 1
292 1 29 HIS H 1 30 ILE H 0.000 . 5.000 2.649 2.346 2.907 . 0 0 "[ . 1 . 2]" 1
293 1 29 HIS H 1 31 LYS H 0.000 . 5.000 4.383 4.070 4.649 . 0 0 "[ . 1 . 2]" 1
294 1 29 HIS H 1 32 LEU H 0.000 . 5.000 4.749 4.536 4.931 . 0 0 "[ . 1 . 2]" 1
295 1 29 HIS H 1 82 LEU QD 0.000 . 5.000 4.149 3.783 4.556 . 0 0 "[ . 1 . 2]" 1
296 1 29 HIS H 1 86 VAL QG 0.000 . 5.000 4.236 3.870 4.541 . 0 0 "[ . 1 . 2]" 1
297 1 29 HIS HA 1 30 ILE H 0.000 . 5.000 3.539 3.454 3.583 . 0 0 "[ . 1 . 2]" 1
298 1 29 HIS HA 1 32 LEU H 0.000 . 5.000 3.544 3.238 3.872 . 0 0 "[ . 1 . 2]" 1
299 1 29 HIS HA 1 32 LEU HB2 0.000 . 5.000 2.582 2.175 2.919 . 0 0 "[ . 1 . 2]" 1
300 1 29 HIS HA 1 32 LEU HB3 0.000 . 5.000 4.178 3.706 4.567 . 0 0 "[ . 1 . 2]" 1
301 1 29 HIS HA 1 33 HIS H 0.000 . 5.000 3.654 3.258 3.898 . 0 0 "[ . 1 . 2]" 1
302 1 29 HIS HA 1 33 HIS HD2 0.000 . 3.000 2.708 2.043 2.985 . 0 0 "[ . 1 . 2]" 1
303 1 29 HIS HB2 1 32 LEU H 0.000 . 6.000 5.575 5.474 5.793 . 0 0 "[ . 1 . 2]" 1
304 1 29 HIS HB2 1 33 HIS HD2 0.000 . 5.000 3.775 3.316 4.611 . 0 0 "[ . 1 . 2]" 1
305 1 29 HIS HB2 1 82 LEU QD 0.000 . 3.000 2.395 2.103 2.792 . 0 0 "[ . 1 . 2]" 1
306 1 29 HIS HB3 1 32 LEU H 0.000 . 6.000 5.477 5.134 5.791 . 0 0 "[ . 1 . 2]" 1
307 1 29 HIS HB3 1 33 HIS HD2 0.000 . 5.000 2.398 1.898 3.117 . 0 0 "[ . 1 . 2]" 1
308 1 29 HIS HB3 1 82 LEU HA 0.000 . 5.000 4.430 3.619 4.934 . 0 0 "[ . 1 . 2]" 1
309 1 29 HIS HB3 1 82 LEU QD 0.000 . 5.000 1.900 1.667 2.610 . 0 0 "[ . 1 . 2]" 1
310 1 29 HIS HB3 1 86 VAL QG 0.000 . 5.000 3.826 3.021 4.788 . 0 0 "[ . 1 . 2]" 1
311 1 29 HIS HD2 1 82 LEU QD 0.000 . 5.000 4.165 3.734 4.587 . 0 0 "[ . 1 . 2]" 1
312 1 29 HIS HD2 1 82 LEU HG 0.000 . 5.000 4.828 4.342 4.999 . 0 0 "[ . 1 . 2]" 1
313 1 29 HIS HD2 1 86 VAL QG 0.000 . 4.000 2.121 1.795 2.881 . 0 0 "[ . 1 . 2]" 1
314 1 29 HIS HE1 1 86 VAL HA 0.000 . 4.000 3.830 3.372 4.001 0.001 13 0 "[ . 1 . 2]" 1
315 1 29 HIS HE1 1 87 PRO HD3 0.000 . 5.000 3.473 2.727 4.620 . 0 0 "[ . 1 . 2]" 1
316 1 30 ILE H 1 31 LYS H 0.000 . 4.000 2.759 2.586 2.884 . 0 0 "[ . 1 . 2]" 1
317 1 30 ILE H 1 82 LEU QD 0.000 . 5.000 3.149 2.731 3.760 . 0 0 "[ . 1 . 2]" 1
318 1 30 ILE HA 1 33 HIS H 0.000 . 5.000 3.683 3.435 3.996 . 0 0 "[ . 1 . 2]" 1
319 1 30 ILE HA 1 39 PHE QE 0.000 . 5.000 3.932 3.709 4.463 . 0 0 "[ . 1 . 2]" 1
320 1 30 ILE MD 1 36 GLU HA 0.000 . 5.000 3.786 3.196 4.442 . 0 0 "[ . 1 . 2]" 1
321 1 30 ILE MD 1 39 PHE H 0.000 . 5.000 4.121 3.819 4.994 . 0 0 "[ . 1 . 2]" 1
322 1 30 ILE MD 1 39 PHE HB3 0.000 . 5.000 3.245 2.732 3.890 . 0 0 "[ . 1 . 2]" 1
323 1 30 ILE MD 1 39 PHE QD 0.000 . 5.000 2.418 2.167 2.662 . 0 0 "[ . 1 . 2]" 1
324 1 30 ILE MD 1 39 PHE QE 0.000 . 5.000 2.666 2.305 3.068 . 0 0 "[ . 1 . 2]" 1
325 1 30 ILE MD 1 42 VAL MG2 0.000 . 5.000 4.438 3.698 4.991 . 0 0 "[ . 1 . 2]" 1
326 1 30 ILE MD 1 82 LEU HG 0.000 . 5.000 4.640 3.813 5.030 0.030 13 0 "[ . 1 . 2]" 1
327 1 30 ILE HG12 1 39 PHE QD 0.000 . 5.000 3.561 2.664 4.759 . 0 0 "[ . 1 . 2]" 1
328 1 30 ILE MG 1 35 MET H 0.000 . 3.000 2.249 1.853 2.926 . 0 0 "[ . 1 . 2]" 1
329 1 30 ILE MG 1 35 MET QG 0.000 . 6.000 3.379 2.834 4.164 . 0 0 "[ . 1 . 2]" 1
330 1 30 ILE MG 1 36 GLU H 0.000 . 5.000 2.172 1.915 2.645 . 0 0 "[ . 1 . 2]" 1
331 1 30 ILE MG 1 36 GLU HA 0.000 . 3.000 2.093 1.761 2.641 . 0 0 "[ . 1 . 2]" 1
332 1 30 ILE MG 1 36 GLU HG2 0.000 . 4.000 2.065 1.820 2.364 . 0 0 "[ . 1 . 2]" 1
333 1 30 ILE MG 1 36 GLU HG3 0.000 . 4.000 2.324 1.858 3.381 . 0 0 "[ . 1 . 2]" 1
334 1 30 ILE MG 1 37 ASP H 0.000 . 5.000 4.086 3.865 4.480 . 0 0 "[ . 1 . 2]" 1
335 1 30 ILE MG 1 39 PHE H 0.000 . 5.000 3.527 3.365 3.988 . 0 0 "[ . 1 . 2]" 1
336 1 30 ILE MG 1 39 PHE HB3 0.000 . 5.000 3.824 3.042 4.281 . 0 0 "[ . 1 . 2]" 1
337 1 30 ILE MG 1 39 PHE QD 0.000 . 5.000 2.103 1.848 2.549 . 0 0 "[ . 1 . 2]" 1
338 1 30 ILE MG 1 39 PHE QE 0.000 . 5.000 3.302 2.667 3.721 . 0 0 "[ . 1 . 2]" 1
339 1 31 LYS H 1 32 LEU H 0.000 . 4.000 2.722 2.568 2.845 . 0 0 "[ . 1 . 2]" 1
340 1 31 LYS H 1 34 ASN H 0.000 . 5.000 4.619 4.433 4.776 . 0 0 "[ . 1 . 2]" 1
341 1 31 LYS HA 1 34 ASN H 0.000 . 4.000 3.483 3.269 3.589 . 0 0 "[ . 1 . 2]" 1
342 1 31 LYS HA 1 34 ASN HA 0.000 . 5.000 3.262 2.899 3.438 . 0 0 "[ . 1 . 2]" 1
343 1 31 LYS HA 1 35 MET H 0.000 . 5.000 4.062 3.742 4.399 . 0 0 "[ . 1 . 2]" 1
344 1 31 LYS HA 1 36 GLU H 0.000 . 5.000 4.231 3.803 4.589 . 0 0 "[ . 1 . 2]" 1
345 1 31 LYS HA 1 36 GLU QB 0.000 . 5.000 4.765 4.472 5.003 0.003 16 0 "[ . 1 . 2]" 1
346 1 31 LYS HA 1 36 GLU HG2 0.000 . 5.000 3.837 2.860 4.257 . 0 0 "[ . 1 . 2]" 1
347 1 31 LYS HA 1 36 GLU HG3 0.000 . 5.000 2.958 2.525 3.785 . 0 0 "[ . 1 . 2]" 1
348 1 32 LEU H 1 33 HIS H 0.000 . 4.000 2.762 2.626 2.940 . 0 0 "[ . 1 . 2]" 1
349 1 32 LEU H 1 34 ASN H 0.000 . 5.000 3.650 3.574 3.774 . 0 0 "[ . 1 . 2]" 1
350 1 32 LEU HA 1 34 ASN H 0.000 . 5.000 3.789 3.675 4.014 . 0 0 "[ . 1 . 2]" 1
351 1 32 LEU HB2 1 33 HIS H 0.000 . 5.000 2.385 2.291 2.494 . 0 0 "[ . 1 . 2]" 1
352 1 32 LEU HB2 1 33 HIS HD2 0.000 . 4.000 3.254 2.658 3.867 . 0 0 "[ . 1 . 2]" 1
353 1 32 LEU HB2 1 34 ASN H 0.000 . 5.000 4.480 4.366 4.582 . 0 0 "[ . 1 . 2]" 1
354 1 32 LEU HB3 1 34 ASN H 0.000 . 5.000 4.952 4.906 5.011 0.011 3 0 "[ . 1 . 2]" 1
355 1 33 HIS H 1 34 ASN H 0.000 . 4.000 2.573 2.441 2.644 . 0 0 "[ . 1 . 2]" 1
356 1 33 HIS H 1 35 MET H 0.000 . 5.000 4.015 3.899 4.295 . 0 0 "[ . 1 . 2]" 1
357 1 33 HIS HB2 1 34 ASN H 0.000 . 4.000 3.579 3.305 3.750 . 0 0 "[ . 1 . 2]" 1
358 1 33 HIS HB2 1 35 MET ME 0.000 . 4.000 3.682 2.623 3.979 . 0 0 "[ . 1 . 2]" 1
359 1 33 HIS HB2 1 82 LEU QD 0.000 . 5.000 2.393 1.935 2.673 . 0 0 "[ . 1 . 2]" 1
360 1 33 HIS HB3 1 35 MET ME 0.000 . 4.000 3.373 1.850 3.905 . 0 0 "[ . 1 . 2]" 1
361 1 33 HIS HB3 1 82 LEU QD 0.000 . 5.000 3.241 2.329 3.759 . 0 0 "[ . 1 . 2]" 1
362 1 33 HIS HD2 1 82 LEU QD 0.000 . 3.000 1.988 1.808 2.352 . 0 0 "[ . 1 . 2]" 1
363 1 34 ASN H 1 35 MET H 0.000 . 4.000 2.844 2.670 2.954 . 0 0 "[ . 1 . 2]" 1
364 1 34 ASN H 1 36 GLU H 0.000 . 5.000 4.567 4.394 4.778 . 0 0 "[ . 1 . 2]" 1
365 1 34 ASN H 1 82 LEU QD 0.000 . 6.000 4.809 4.486 5.122 . 0 0 "[ . 1 . 2]" 1
366 1 34 ASN HA 1 36 GLU H 0.000 . 5.000 3.085 3.033 3.176 . 0 0 "[ . 1 . 2]" 1
367 1 35 MET H 1 36 GLU H 0.000 . 4.000 2.431 2.250 2.619 . 0 0 "[ . 1 . 2]" 1
368 1 35 MET H 1 37 ASP H 0.000 . 5.000 4.737 4.480 5.000 . 0 0 "[ . 1 . 2]" 1
369 1 35 MET H 1 82 LEU QD 0.000 . 5.000 3.923 3.691 4.471 . 0 0 "[ . 1 . 2]" 1
370 1 35 MET HA 1 36 GLU H 0.000 . 5.000 3.222 3.075 3.318 . 0 0 "[ . 1 . 2]" 1
371 1 35 MET HA 1 37 ASP H 0.000 . 5.000 3.452 3.060 3.600 . 0 0 "[ . 1 . 2]" 1
372 1 35 MET HA 1 38 LEU H 0.000 . 5.000 3.344 3.213 3.703 . 0 0 "[ . 1 . 2]" 1
373 1 35 MET HB2 1 39 PHE QD 0.000 . 5.000 2.729 2.082 3.859 . 0 0 "[ . 1 . 2]" 1
374 1 35 MET HB2 1 79 SER HA 0.000 . 5.000 4.984 4.919 5.013 0.013 16 0 "[ . 1 . 2]" 1
375 1 35 MET HB3 1 79 SER HA 0.000 . 5.000 4.131 3.820 4.599 . 0 0 "[ . 1 . 2]" 1
376 1 35 MET ME 1 38 LEU QD 0.000 . 4.000 2.178 1.624 3.563 . 0 0 "[ . 1 . 2]" 1
377 1 35 MET ME 1 39 PHE QE 0.000 . 5.000 3.244 2.632 4.271 . 0 0 "[ . 1 . 2]" 1
378 1 35 MET ME 1 78 ALA MB 0.000 . 3.000 1.864 1.668 2.297 . 0 0 "[ . 1 . 2]" 1
379 1 35 MET ME 1 79 SER H 0.000 . 5.000 2.770 2.227 3.548 . 0 0 "[ . 1 . 2]" 1
380 1 35 MET ME 1 79 SER HA 0.000 . 4.000 2.323 1.874 2.979 . 0 0 "[ . 1 . 2]" 1
381 1 35 MET ME 1 79 SER QB 0.000 . 5.000 3.194 2.190 4.105 . 0 0 "[ . 1 . 2]" 1
382 1 35 MET ME 1 82 LEU H 0.000 . 4.000 3.803 3.147 4.005 0.005 20 0 "[ . 1 . 2]" 1
383 1 35 MET ME 1 82 LEU QD 0.000 . 3.000 2.559 1.844 2.855 . 0 0 "[ . 1 . 2]" 1
384 1 35 MET QG 1 38 LEU QD 0.000 . 5.000 2.916 1.649 3.517 . 0 0 "[ . 1 . 2]" 1
385 1 35 MET QG 1 39 PHE QE 0.000 . 3.000 2.986 2.872 3.023 0.023 15 0 "[ . 1 . 2]" 1
386 1 35 MET QG 1 82 LEU QD 0.000 . 5.000 2.072 1.680 3.458 . 0 0 "[ . 1 . 2]" 1
387 1 35 MET HG2 1 38 LEU QD 0.000 . 5.000 3.423 1.776 4.224 . 0 0 "[ . 1 . 2]" 1
388 1 35 MET HG2 1 82 LEU QD 0.000 . 5.000 2.878 2.474 4.056 . 0 0 "[ . 1 . 2]" 1
389 1 35 MET HG3 1 38 LEU QD 0.000 . 5.000 3.233 1.786 3.763 . 0 0 "[ . 1 . 2]" 1
390 1 35 MET HG3 1 82 LEU QD 0.000 . 5.000 2.316 1.697 4.666 . 0 0 "[ . 1 . 2]" 1
391 1 36 GLU H 1 36 GLU QB 0.000 . 3.000 2.519 2.442 2.587 . 0 0 "[ . 1 . 2]" 1
392 1 36 GLU H 1 37 ASP H 0.000 . 4.000 2.796 2.615 2.921 . 0 0 "[ . 1 . 2]" 1
393 1 36 GLU H 1 38 LEU H 0.000 . 5.000 4.473 4.296 4.819 . 0 0 "[ . 1 . 2]" 1
394 1 36 GLU HA 1 38 LEU H 0.000 . 5.000 4.325 4.110 4.582 . 0 0 "[ . 1 . 2]" 1
395 1 36 GLU HA 1 39 PHE H 0.000 . 5.000 3.404 3.006 3.696 . 0 0 "[ . 1 . 2]" 1
396 1 36 GLU HA 1 39 PHE HB2 0.000 . 5.000 2.594 1.986 2.917 . 0 0 "[ . 1 . 2]" 1
397 1 36 GLU HA 1 39 PHE HB3 0.000 . 5.000 4.225 3.540 4.612 . 0 0 "[ . 1 . 2]" 1
398 1 36 GLU HA 1 39 PHE QD 0.000 . 5.000 3.361 2.839 3.902 . 0 0 "[ . 1 . 2]" 1
399 1 36 GLU HA 1 39 PHE QE 0.000 . 6.000 5.511 4.990 5.998 . 0 0 "[ . 1 . 2]" 1
400 1 37 ASP H 1 38 LEU H 0.000 . 4.000 2.758 2.619 2.862 . 0 0 "[ . 1 . 2]" 1
401 1 37 ASP H 1 39 PHE H 0.000 . 5.000 4.295 3.866 4.495 . 0 0 "[ . 1 . 2]" 1
402 1 37 ASP HA 1 39 PHE H 0.000 . 5.000 4.877 4.541 5.026 0.026 5 0 "[ . 1 . 2]" 1
403 1 37 ASP HB2 1 38 LEU H 0.000 . 5.000 2.712 2.400 3.760 . 0 0 "[ . 1 . 2]" 1
404 1 37 ASP HB3 1 38 LEU H 0.000 . 5.000 3.402 2.470 3.632 . 0 0 "[ . 1 . 2]" 1
405 1 38 LEU H 1 38 LEU HB2 0.000 . 3.000 2.816 2.606 3.638 0.638 18 3 "[ . *- 1 . + 2]" 1
406 1 38 LEU H 1 38 LEU HG 0.000 . 3.000 1.931 1.852 2.189 . 0 0 "[ . 1 . 2]" 1
407 1 38 LEU H 1 39 PHE H 0.000 . 4.000 2.630 2.252 2.804 . 0 0 "[ . 1 . 2]" 1
408 1 38 LEU HA 1 74 VAL H 0.000 . 5.000 3.225 2.868 3.570 . 0 0 "[ . 1 . 2]" 1
409 1 38 LEU HB2 1 39 PHE H 0.000 . 4.000 2.523 2.206 3.730 . 0 0 "[ . 1 . 2]" 1
410 1 38 LEU HB3 1 74 VAL H 0.000 . 5.000 2.930 2.277 3.910 . 0 0 "[ . 1 . 2]" 1
411 1 38 LEU QD 1 74 VAL H 0.000 . 5.000 3.500 3.109 3.768 . 0 0 "[ . 1 . 2]" 1
412 1 38 LEU QD 1 76 ASN H 0.000 . 5.000 4.391 3.990 4.791 . 0 0 "[ . 1 . 2]" 1
413 1 38 LEU QD 1 76 ASN HD21 0.000 . 3.000 2.353 1.927 2.746 . 0 0 "[ . 1 . 2]" 1
414 1 38 LEU QD 1 76 ASN HD22 0.000 . 3.000 1.906 1.735 2.329 . 0 0 "[ . 1 . 2]" 1
415 1 38 LEU QD 1 79 SER H 0.000 . 5.000 2.915 2.520 3.305 . 0 0 "[ . 1 . 2]" 1
416 1 38 LEU QD 1 79 SER HA 0.000 . 5.000 3.290 2.845 3.976 . 0 0 "[ . 1 . 2]" 1
417 1 38 LEU QD 1 79 SER QB 0.000 . 4.000 2.379 1.733 3.133 . 0 0 "[ . 1 . 2]" 1
418 1 38 LEU HG 1 39 PHE H 0.000 . 4.000 3.677 1.836 4.023 0.023 15 0 "[ . 1 . 2]" 1
419 1 39 PHE H 1 39 PHE HB2 0.000 . 3.000 2.430 2.286 2.546 . 0 0 "[ . 1 . 2]" 1
420 1 39 PHE H 1 73 MET HB2 0.000 . 5.000 4.325 4.103 4.613 . 0 0 "[ . 1 . 2]" 1
421 1 39 PHE H 1 73 MET QG 0.000 . 4.000 3.486 3.031 3.846 . 0 0 "[ . 1 . 2]" 1
422 1 39 PHE HA 1 40 GLY H 0.000 . 3.000 2.230 2.194 2.267 . 0 0 "[ . 1 . 2]" 1
423 1 39 PHE HA 1 41 GLU H 0.000 . 5.000 4.707 4.518 5.013 0.013 8 0 "[ . 1 . 2]" 1
424 1 39 PHE HA 1 73 MET HB2 0.000 . 5.000 2.020 1.871 2.393 . 0 0 "[ . 1 . 2]" 1
425 1 39 PHE HB2 1 71 VAL QG 0.000 . 5.000 4.671 4.346 4.933 . 0 0 "[ . 1 . 2]" 1
426 1 39 PHE HB3 1 40 GLY H 0.000 . 3.500 3.178 3.014 3.402 . 0 0 "[ . 1 . 2]" 1
427 1 39 PHE QD 1 71 VAL QG 0.000 . 3.000 2.014 1.824 2.174 . 0 0 "[ . 1 . 2]" 1
428 1 39 PHE QD 1 73 MET HB3 0.000 . 5.000 3.921 3.247 4.261 . 0 0 "[ . 1 . 2]" 1
429 1 39 PHE QE 1 71 VAL QG 0.000 . 3.000 2.839 2.289 2.978 . 0 0 "[ . 1 . 2]" 1
430 1 39 PHE QE 1 79 SER QB 0.000 . 4.000 3.150 2.293 3.510 . 0 0 "[ . 1 . 2]" 1
431 1 39 PHE QE 1 83 VAL MG2 0.000 . 4.000 3.188 2.469 3.948 . 0 0 "[ . 1 . 2]" 1
432 1 39 PHE HZ 1 73 MET ME 0.000 . 4.000 3.190 2.216 3.995 . 0 0 "[ . 1 . 2]" 1
433 1 39 PHE HZ 1 79 SER QB 0.000 . 4.000 3.027 2.226 3.481 . 0 0 "[ . 1 . 2]" 1
434 1 39 PHE HZ 1 82 LEU QD 0.000 . 4.000 2.467 1.717 3.648 . 0 0 "[ . 1 . 2]" 1
435 1 40 GLY H 1 72 GLN HB2 0.000 . 5.000 4.516 3.612 4.959 . 0 0 "[ . 1 . 2]" 1
436 1 40 GLY H 1 72 GLN HB3 0.000 . 5.000 2.931 2.066 3.313 . 0 0 "[ . 1 . 2]" 1
437 1 40 GLY H 1 72 GLN HG2 0.000 . 5.000 4.353 3.430 4.999 . 0 0 "[ . 1 . 2]" 1
438 1 40 GLY H 1 73 MET HB2 0.000 . 5.000 3.402 3.131 3.780 . 0 0 "[ . 1 . 2]" 1
439 1 40 GLY H 1 73 MET HB3 0.000 . 5.000 4.844 4.649 5.008 0.008 9 0 "[ . 1 . 2]" 1
440 1 40 GLY H 1 73 MET QG 0.000 . 5.000 4.672 4.278 4.984 . 0 0 "[ . 1 . 2]" 1
441 1 40 GLY HA2 1 41 GLU H 0.000 . 4.000 3.582 3.554 3.591 . 0 0 "[ . 1 . 2]" 1
442 1 40 GLY HA2 1 72 GLN HB3 0.000 . 5.000 4.526 3.479 4.847 . 0 0 "[ . 1 . 2]" 1
443 1 40 GLY HA3 1 41 GLU H 0.000 . 4.000 2.521 2.395 2.629 . 0 0 "[ . 1 . 2]" 1
444 1 40 GLY HA3 1 72 GLN HB2 0.000 . 5.000 4.513 3.225 4.975 . 0 0 "[ . 1 . 2]" 1
445 1 40 GLY HA3 1 72 GLN HB3 0.000 . 5.000 2.943 1.900 3.292 . 0 0 "[ . 1 . 2]" 1
446 1 41 GLU H 1 72 GLN H 0.000 . 4.000 3.054 2.529 3.325 . 0 0 "[ . 1 . 2]" 1
447 1 41 GLU H 1 72 GLN HB2 0.000 . 5.000 3.019 1.896 3.451 . 0 0 "[ . 1 . 2]" 1
448 1 41 GLU H 1 72 GLN HB3 0.000 . 5.000 2.012 1.932 2.326 . 0 0 "[ . 1 . 2]" 1
449 1 41 GLU H 1 72 GLN HG3 0.000 . 5.000 4.911 4.401 5.008 0.008 13 0 "[ . 1 . 2]" 1
450 1 41 GLU HA 1 42 VAL H 0.000 . 4.000 2.319 2.189 2.458 . 0 0 "[ . 1 . 2]" 1
451 1 41 GLU HB2 1 72 GLN QE 0.000 . 6.000 4.360 1.990 6.002 0.002 7 0 "[ . 1 . 2]" 1
452 1 41 GLU HB3 1 72 GLN QE 0.000 . 6.000 4.812 2.609 6.007 0.007 14 0 "[ . 1 . 2]" 1
453 1 42 VAL H 1 42 VAL HB 0.000 . 2.700 2.638 2.509 2.702 0.002 7 0 "[ . 1 . 2]" 1
454 1 42 VAL H 1 71 VAL QG 0.000 . 5.000 4.130 3.791 4.310 . 0 0 "[ . 1 . 2]" 1
455 1 42 VAL HA 1 43 MET H 0.000 . 4.000 2.311 2.234 2.406 . 0 0 "[ . 1 . 2]" 1
456 1 42 VAL HA 1 71 VAL HA 0.000 . 4.000 2.121 1.882 2.444 . 0 0 "[ . 1 . 2]" 1
457 1 42 VAL HA 1 71 VAL HB 0.000 . 5.000 4.599 4.324 4.758 . 0 0 "[ . 1 . 2]" 1
458 1 42 VAL HA 1 71 VAL QG 0.000 . 3.000 2.358 2.114 2.706 . 0 0 "[ . 1 . 2]" 1
459 1 42 VAL HA 1 72 GLN H 0.000 . 4.000 3.270 2.955 3.761 . 0 0 "[ . 1 . 2]" 1
460 1 42 VAL MG1 1 43 MET H 0.000 . 3.000 2.216 1.819 3.707 0.707 4 3 "[- +. * 1 . 2]" 1
461 1 43 MET H 1 69 VAL MG1 0.000 . 5.000 3.072 2.767 3.501 . 0 0 "[ . 1 . 2]" 1
462 1 43 MET H 1 70 LEU H 0.000 . 4.000 3.546 3.044 3.887 . 0 0 "[ . 1 . 2]" 1
463 1 43 MET H 1 70 LEU HB3 0.000 . 5.000 4.840 4.332 5.292 0.292 2 0 "[ . 1 . 2]" 1
464 1 43 MET H 1 71 VAL HA 0.000 . 4.000 3.092 2.854 3.303 . 0 0 "[ . 1 . 2]" 1
465 1 43 MET H 1 71 VAL QG 0.000 . 4.000 2.732 2.328 3.132 . 0 0 "[ . 1 . 2]" 1
466 1 43 MET H 1 72 GLN H 0.000 . 5.000 4.804 4.631 4.992 . 0 0 "[ . 1 . 2]" 1
467 1 43 MET HA 1 44 VAL H 0.000 . 3.000 2.281 2.187 2.414 . 0 0 "[ . 1 . 2]" 1
468 1 43 MET HA 1 112 MET ME 0.000 . 5.000 4.681 3.568 4.978 . 0 0 "[ . 1 . 2]" 1
469 1 43 MET QB 1 70 LEU H 0.000 . 5.000 2.776 2.036 3.506 . 0 0 "[ . 1 . 2]" 1
470 1 43 MET HB2 1 70 LEU HB3 0.000 . 5.000 3.516 3.367 4.398 . 0 0 "[ . 1 . 2]" 1
471 1 43 MET HB3 1 70 LEU HB3 0.000 . 5.000 4.900 4.668 5.985 0.985 2 1 "[ + . 1 . 2]" 1
472 1 43 MET ME 1 108 VAL HA 0.000 . 5.000 4.767 4.240 5.003 0.003 20 0 "[ . 1 . 2]" 1
473 1 43 MET ME 1 108 VAL MG1 0.000 . 4.000 2.183 1.625 2.604 . 0 0 "[ . 1 . 2]" 1
474 1 43 MET HG3 1 70 LEU QD 0.000 . 5.000 4.094 2.878 4.826 . 0 0 "[ . 1 . 2]" 1
475 1 44 VAL HA 1 69 VAL HA 0.000 . 5.000 3.682 2.982 4.222 . 0 0 "[ . 1 . 2]" 1
476 1 44 VAL HA 1 70 LEU H 0.000 . 5.000 4.078 3.393 4.556 . 0 0 "[ . 1 . 2]" 1
477 1 44 VAL HB 1 46 THR MG 0.000 . 5.000 4.630 3.715 5.010 0.010 9 0 "[ . 1 . 2]" 1
478 1 44 VAL MG1 1 46 THR H 0.000 . 5.000 2.303 1.726 4.870 . 0 0 "[ . 1 . 2]" 1
479 1 44 VAL MG2 1 46 THR H 0.000 . 5.000 4.499 4.162 5.004 0.004 18 0 "[ . 1 . 2]" 1
480 1 45 PRO HA 1 46 THR H 0.000 . 4.000 3.200 2.196 3.509 . 0 0 "[ . 1 . 2]" 1
481 1 45 PRO HA 1 46 THR MG 0.000 . 5.000 4.530 3.669 5.003 0.003 16 0 "[ . 1 . 2]" 1
482 1 45 PRO HA 1 112 MET ME 0.000 . 4.000 3.506 2.304 4.000 0.000 11 0 "[ . 1 . 2]" 1
483 1 45 PRO HA 1 112 MET QG 0.000 . 6.000 4.434 3.037 5.963 . 0 0 "[ . 1 . 2]" 1
484 1 45 PRO HA 1 115 LEU MD1 0.000 . 5.000 3.660 2.191 5.472 0.472 4 0 "[ . 1 . 2]" 1
485 1 45 PRO HB2 1 70 LEU QD 0.000 . 6.000 4.966 3.919 6.004 0.004 13 0 "[ . 1 . 2]" 1
486 1 45 PRO HB3 1 70 LEU QD 0.000 . 5.000 4.037 2.841 4.937 . 0 0 "[ . 1 . 2]" 1
487 1 45 PRO QD 1 70 LEU H 0.000 . 5.000 3.439 2.780 4.243 . 0 0 "[ . 1 . 2]" 1
488 1 45 PRO QG 1 65 PHE QD 0.000 . 6.000 3.527 1.934 5.274 . 0 0 "[ . 1 . 2]" 1
489 1 46 THR HA 1 115 LEU MD1 0.000 . 4.000 3.726 3.139 4.006 0.006 12 0 "[ . 1 . 2]" 1
490 1 46 THR HA 1 115 LEU MD2 0.000 . 4.000 3.963 3.756 4.013 0.013 12 0 "[ . 1 . 2]" 1
491 1 46 THR MG 1 47 GLU H 0.000 . 5.000 3.782 2.569 4.255 . 0 0 "[ . 1 . 2]" 1
492 1 49 VAL QG 1 50 VAL H 0.000 . 4.000 2.508 1.837 3.385 . 0 0 "[ . 1 . 2]" 1
493 1 50 VAL HA 1 51 GLU H 0.000 . 4.000 2.767 2.233 3.568 . 0 0 "[ . 1 . 2]" 1
494 1 50 VAL HB 1 51 GLU H 0.000 . 4.000 3.576 2.572 4.006 0.006 15 0 "[ . 1 . 2]" 1
495 1 50 VAL QG 1 51 GLU H 0.000 . 5.000 2.496 1.800 3.715 . 0 0 "[ . 1 . 2]" 1
496 1 51 GLU HA 1 52 ILE H 0.000 . 4.000 2.517 2.196 3.586 . 0 0 "[ . 1 . 2]" 1
497 1 51 GLU HG2 1 52 ILE H 0.000 . 4.000 2.690 2.086 3.993 . 0 0 "[ . 1 . 2]" 1
498 1 51 GLU HG3 1 52 ILE H 0.000 . 4.000 3.146 2.599 4.008 0.008 6 0 "[ . 1 . 2]" 1
499 1 52 ILE H 1 53 ARG H 0.000 . 4.000 3.264 2.175 4.007 0.007 14 0 "[ . 1 . 2]" 1
500 1 59 LYS HA 1 60 SER H 0.000 . 4.000 2.464 2.192 3.572 . 0 0 "[ . 1 . 2]" 1
501 1 59 LYS HG2 1 61 GLU QG 0.000 . 5.000 4.305 2.920 5.555 0.555 5 1 "[ + 1 . 2]" 1
502 1 60 SER HA 1 61 GLU H 0.000 . 5.000 2.631 2.200 3.565 . 0 0 "[ . 1 . 2]" 1
503 1 61 GLU HA 1 62 ARG H 0.000 . 4.000 2.511 2.194 3.525 . 0 0 "[ . 1 . 2]" 1
504 1 61 GLU QG 1 62 ARG H 0.000 . 5.000 4.002 2.203 4.460 . 0 0 "[ . 1 . 2]" 1
505 1 62 ARG H 1 63 LYS HA 0.000 . 5.000 4.845 4.612 4.998 . 0 0 "[ . 1 . 2]" 1
506 1 62 ARG QB 1 115 LEU QD 0.000 . 6.000 5.190 3.392 5.999 . 0 0 "[ . 1 . 2]" 1
507 1 63 LYS HA 1 64 PHE H 0.000 . 4.000 2.666 2.187 3.516 . 0 0 "[ . 1 . 2]" 1
508 1 64 PHE H 1 115 LEU QD 0.000 . 6.000 4.376 2.993 5.677 . 0 0 "[ . 1 . 2]" 1
509 1 64 PHE HA 1 65 PHE H 0.000 . 4.000 2.824 2.202 3.570 . 0 0 "[ . 1 . 2]" 1
510 1 64 PHE QB 1 65 PHE QD 0.000 . 5.000 3.274 1.909 4.795 . 0 0 "[ . 1 . 2]" 1
511 1 64 PHE QD 1 115 LEU HA 0.000 . 5.000 3.495 2.279 4.989 . 0 0 "[ . 1 . 2]" 1
512 1 64 PHE QD 1 115 LEU MD1 0.000 . 5.000 2.966 1.762 4.668 . 0 0 "[ . 1 . 2]" 1
513 1 64 PHE QD 1 115 LEU QD 0.000 . 6.000 2.406 1.760 3.519 . 0 0 "[ . 1 . 2]" 1
514 1 64 PHE QD 1 115 LEU HG 0.000 . 5.000 4.357 2.771 4.988 . 0 0 "[ . 1 . 2]" 1
515 1 65 PHE QD 1 111 ILE MG 0.000 . 5.000 3.638 2.794 4.329 . 0 0 "[ . 1 . 2]" 1
516 1 65 PHE QE 1 111 ILE HA 0.000 . 5.000 4.219 2.479 4.886 . 0 0 "[ . 1 . 2]" 1
517 1 65 PHE QE 1 111 ILE MG 0.000 . 5.000 2.336 1.740 3.030 . 0 0 "[ . 1 . 2]" 1
518 1 65 PHE QE 1 114 ARG QG 0.000 . 6.000 4.281 3.133 5.296 . 0 0 "[ . 1 . 2]" 1
519 1 65 PHE QE 1 115 LEU HA 0.000 . 5.000 3.721 2.646 5.003 0.003 19 0 "[ . 1 . 2]" 1
520 1 65 PHE HZ 1 111 ILE HA 0.000 . 5.000 3.961 3.127 4.751 . 0 0 "[ . 1 . 2]" 1
521 1 65 PHE HZ 1 111 ILE HB 0.000 . 5.000 4.885 4.603 5.008 0.008 16 0 "[ . 1 . 2]" 1
522 1 65 PHE HZ 1 111 ILE MG 0.000 . 5.000 2.468 1.905 2.797 . 0 0 "[ . 1 . 2]" 1
523 1 65 PHE HZ 1 114 ARG QD 0.000 . 5.000 3.724 2.431 4.726 . 0 0 "[ . 1 . 2]" 1
524 1 65 PHE HZ 1 115 LEU HA 0.000 . 5.000 4.755 4.212 5.001 0.001 15 0 "[ . 1 . 2]" 1
525 1 67 GLY QA 1 68 TYR H 0.000 . 4.000 2.883 2.694 2.939 . 0 0 "[ . 1 . 2]" 1
526 1 68 TYR HB3 1 69 VAL H 0.000 . 4.000 3.652 3.474 4.011 0.011 17 0 "[ . 1 . 2]" 1
527 1 68 TYR QE 1 93 ILE MD 0.000 . 3.000 2.805 2.008 2.999 . 0 0 "[ . 1 . 2]" 1
528 1 68 TYR QE 1 93 ILE HG13 0.000 . 5.000 3.487 2.214 5.195 0.195 2 0 "[ . 1 . 2]" 1
529 1 68 TYR QE 1 111 ILE MD 0.000 . 5.000 4.784 2.328 5.003 0.003 12 0 "[ . 1 . 2]" 1
530 1 69 VAL H 1 69 VAL HB 0.000 . 2.700 2.708 2.700 2.729 0.029 17 0 "[ . 1 . 2]" 1
531 1 69 VAL HA 1 70 LEU H 0.000 . 4.000 2.267 2.218 2.326 . 0 0 "[ . 1 . 2]" 1
532 1 70 LEU HA 1 71 VAL H 0.000 . 4.000 2.219 2.201 2.294 . 0 0 "[ . 1 . 2]" 1
533 1 70 LEU HA 1 71 VAL QG 0.000 . 5.000 3.600 3.370 3.712 . 0 0 "[ . 1 . 2]" 1
534 1 70 LEU QD 1 108 VAL HA 0.000 . 6.000 2.744 1.908 4.242 . 0 0 "[ . 1 . 2]" 1
535 1 70 LEU QD 1 108 VAL MG1 0.000 . 5.000 2.063 1.628 3.298 . 0 0 "[ . 1 . 2]" 1
536 1 70 LEU QD 1 108 VAL MG2 0.000 . 5.000 2.421 1.825 3.451 . 0 0 "[ . 1 . 2]" 1
537 1 71 VAL H 1 71 VAL HB 0.000 . 3.000 2.770 2.697 2.840 . 0 0 "[ . 1 . 2]" 1
538 1 71 VAL HA 1 72 GLN H 0.000 . 4.000 2.195 2.187 2.213 . 0 0 "[ . 1 . 2]" 1
539 1 71 VAL QG 1 72 GLN H 0.000 . 5.000 2.631 2.449 2.961 . 0 0 "[ . 1 . 2]" 1
540 1 71 VAL QG 1 73 MET H 0.000 . 5.000 4.480 4.285 4.758 . 0 0 "[ . 1 . 2]" 1
541 1 71 VAL QG 1 73 MET HB2 0.000 . 5.000 3.010 2.808 3.322 . 0 0 "[ . 1 . 2]" 1
542 1 71 VAL QG 1 73 MET HB3 0.000 . 4.000 3.392 3.019 3.859 . 0 0 "[ . 1 . 2]" 1
543 1 71 VAL QG 1 73 MET QG 0.000 . 5.000 4.441 4.014 4.776 . 0 0 "[ . 1 . 2]" 1
544 1 72 GLN HA 1 73 MET H 0.000 . 4.000 2.220 2.195 2.269 . 0 0 "[ . 1 . 2]" 1
545 1 73 MET HA 1 74 VAL H 0.000 . 3.000 2.367 2.294 2.445 . 0 0 "[ . 1 . 2]" 1
546 1 73 MET ME 1 75 MET ME 0.000 . 4.000 2.673 1.776 3.648 . 0 0 "[ . 1 . 2]" 1
547 1 73 MET ME 1 76 ASN H 0.000 . 4.000 3.860 2.888 4.010 0.010 16 0 "[ . 1 . 2]" 1
548 1 73 MET ME 1 79 SER QB 0.000 . 4.000 2.232 1.815 2.914 . 0 0 "[ . 1 . 2]" 1
549 1 74 VAL HA 1 75 MET H 0.000 . 2.700 2.249 2.190 2.399 . 0 0 "[ . 1 . 2]" 1
550 1 74 VAL HB 1 75 MET H 0.000 . 5.000 3.905 2.605 4.359 . 0 0 "[ . 1 . 2]" 1
551 1 75 MET HA 1 76 ASN H 0.000 . 3.000 2.197 2.186 2.240 . 0 0 "[ . 1 . 2]" 1
552 1 75 MET ME 1 80 TRP HD1 0.000 . 4.000 3.491 2.430 4.015 0.015 16 0 "[ . 1 . 2]" 1
553 1 75 MET ME 1 92 PHE QD 0.000 . 5.000 3.659 2.403 4.591 . 0 0 "[ . 1 . 2]" 1
554 1 75 MET ME 1 92 PHE QE 0.000 . 4.000 3.214 2.130 4.006 0.006 1 0 "[ . 1 . 2]" 1
555 1 75 MET ME 1 100 PRO HA 0.000 . 5.000 4.872 4.062 5.022 0.022 8 0 "[ . 1 . 2]" 1
556 1 75 MET ME 1 100 PRO HD2 0.000 . 5.000 2.790 1.886 3.984 . 0 0 "[ . 1 . 2]" 1
557 1 75 MET ME 1 100 PRO HD3 0.000 . 5.000 3.500 2.889 4.019 . 0 0 "[ . 1 . 2]" 1
558 1 76 ASN H 1 78 ALA H 0.000 . 5.000 4.615 3.683 4.998 . 0 0 "[ . 1 . 2]" 1
559 1 76 ASN H 1 79 SER H 0.000 . 5.000 4.077 3.703 4.360 . 0 0 "[ . 1 . 2]" 1
560 1 76 ASN H 1 79 SER QB 0.000 . 5.000 3.448 2.472 4.156 . 0 0 "[ . 1 . 2]" 1
561 1 76 ASN H 1 80 TRP H 0.000 . 5.000 3.063 2.477 3.846 . 0 0 "[ . 1 . 2]" 1
562 1 76 ASN HA 1 77 ASP H 0.000 . 4.000 2.586 2.416 3.068 . 0 0 "[ . 1 . 2]" 1
563 1 76 ASN HB2 1 77 ASP H 0.000 . 5.000 2.291 1.871 2.602 . 0 0 "[ . 1 . 2]" 1
564 1 76 ASN HB2 1 77 ASP HA 0.000 . 5.000 4.849 4.680 4.974 . 0 0 "[ . 1 . 2]" 1
565 1 76 ASN HB2 1 78 ALA H 0.000 . 5.000 3.017 2.695 3.915 . 0 0 "[ . 1 . 2]" 1
566 1 76 ASN HB3 1 77 ASP H 0.000 . 5.000 3.735 3.370 3.943 . 0 0 "[ . 1 . 2]" 1
567 1 76 ASN HB3 1 78 ALA H 0.000 . 5.000 4.323 4.041 4.618 . 0 0 "[ . 1 . 2]" 1
568 1 76 ASN HD21 1 78 ALA MB 0.000 . 5.000 2.722 2.379 3.058 . 0 0 "[ . 1 . 2]" 1
569 1 76 ASN HD21 1 79 SER H 0.000 . 5.000 3.274 2.939 3.531 . 0 0 "[ . 1 . 2]" 1
570 1 76 ASN HD22 1 78 ALA H 0.000 . 5.000 3.410 2.387 3.914 . 0 0 "[ . 1 . 2]" 1
571 1 76 ASN HD22 1 78 ALA MB 0.000 . 5.000 2.057 1.826 2.322 . 0 0 "[ . 1 . 2]" 1
572 1 76 ASN HD22 1 79 SER H 0.000 . 3.000 1.937 1.863 2.091 . 0 0 "[ . 1 . 2]" 1
573 1 76 ASN HD22 1 79 SER HA 0.000 . 5.000 4.110 3.677 4.444 . 0 0 "[ . 1 . 2]" 1
574 1 76 ASN HD22 1 80 TRP H 0.000 . 5.000 4.549 4.286 4.714 . 0 0 "[ . 1 . 2]" 1
575 1 77 ASP H 1 79 SER H 0.000 . 5.000 4.775 3.601 5.008 0.008 17 0 "[ . 1 . 2]" 1
576 1 77 ASP HA 1 80 TRP H 0.000 . 5.000 4.140 3.612 4.636 . 0 0 "[ . 1 . 2]" 1
577 1 77 ASP HA 1 80 TRP QB 0.000 . 4.000 2.848 2.476 3.836 . 0 0 "[ . 1 . 2]" 1
578 1 77 ASP QB 1 78 ALA H 0.000 . 4.000 2.976 2.664 3.868 . 0 0 "[ . 1 . 2]" 1
579 1 77 ASP HB2 1 79 SER H 0.000 . 6.000 5.843 5.622 6.686 0.686 14 1 "[ . 1 +. 2]" 1
580 1 78 ALA H 1 79 SER H 0.000 . 3.000 2.781 1.863 2.997 . 0 0 "[ . 1 . 2]" 1
581 1 78 ALA H 1 80 TRP H 0.000 . 5.000 3.885 2.595 4.356 . 0 0 "[ . 1 . 2]" 1
582 1 78 ALA HA 1 81 HIS H 0.000 . 5.000 3.806 3.583 3.960 . 0 0 "[ . 1 . 2]" 1
583 1 78 ALA HA 1 81 HIS HB3 0.000 . 5.000 4.190 3.029 5.458 0.458 18 0 "[ . 1 . 2]" 1
584 1 78 ALA HA 1 81 HIS HD2 0.000 . 5.000 3.912 2.557 5.038 0.038 16 0 "[ . 1 . 2]" 1
585 1 78 ALA HA 1 82 LEU H 0.000 . 5.000 4.249 3.791 4.666 . 0 0 "[ . 1 . 2]" 1
586 1 78 ALA MB 1 79 SER H 0.000 . 5.000 2.076 1.847 2.987 . 0 0 "[ . 1 . 2]" 1
587 1 78 ALA MB 1 80 TRP H 0.000 . 5.000 4.355 4.187 4.720 . 0 0 "[ . 1 . 2]" 1
588 1 79 SER H 1 80 TRP H 0.000 . 4.000 2.886 2.454 3.100 . 0 0 "[ . 1 . 2]" 1
589 1 79 SER H 1 81 HIS H 0.000 . 5.000 4.527 4.339 4.725 . 0 0 "[ . 1 . 2]" 1
590 1 79 SER H 1 82 LEU HB3 0.000 . 5.000 4.988 4.734 5.778 0.778 5 2 "[ + 1 - . 2]" 1
591 1 79 SER HA 1 82 LEU H 0.000 . 5.000 3.260 2.911 3.575 . 0 0 "[ . 1 . 2]" 1
592 1 79 SER HA 1 82 LEU HB3 0.000 . 3.000 2.366 2.075 3.032 0.032 5 0 "[ . 1 . 2]" 1
593 1 79 SER HA 1 83 VAL H 0.000 . 5.000 4.046 3.804 4.332 . 0 0 "[ . 1 . 2]" 1
594 1 79 SER HA 1 83 VAL MG2 0.000 . 5.000 4.078 3.761 4.443 . 0 0 "[ . 1 . 2]" 1
595 1 79 SER QB 1 83 VAL MG2 0.000 . 5.000 3.581 3.401 3.916 . 0 0 "[ . 1 . 2]" 1
596 1 80 TRP H 1 81 HIS H 0.000 . 4.000 2.985 2.691 3.137 . 0 0 "[ . 1 . 2]" 1
597 1 80 TRP H 1 82 LEU H 0.000 . 5.000 4.071 3.892 4.272 . 0 0 "[ . 1 . 2]" 1
598 1 80 TRP H 1 82 LEU HB3 0.000 . 5.000 4.995 4.863 5.687 0.687 5 1 "[ + 1 . 2]" 1
599 1 80 TRP HA 1 82 LEU HB3 0.000 . 6.000 5.194 4.968 5.593 . 0 0 "[ . 1 . 2]" 1
600 1 80 TRP HA 1 83 VAL H 0.000 . 5.000 3.655 3.397 3.923 . 0 0 "[ . 1 . 2]" 1
601 1 80 TRP HA 1 83 VAL HB 0.000 . 5.000 3.295 2.959 4.114 . 0 0 "[ . 1 . 2]" 1
602 1 80 TRP HA 1 83 VAL MG2 0.000 . 5.000 2.954 2.565 3.489 . 0 0 "[ . 1 . 2]" 1
603 1 80 TRP HA 1 92 PHE QE 0.000 . 5.000 2.941 2.560 3.391 . 0 0 "[ . 1 . 2]" 1
604 1 80 TRP QB 1 92 PHE QE 0.000 . 5.000 4.627 4.314 4.965 . 0 0 "[ . 1 . 2]" 1
605 1 80 TRP HD1 1 92 PHE QD 0.000 . 4.000 3.915 3.668 4.020 0.020 17 0 "[ . 1 . 2]" 1
606 1 80 TRP HD1 1 92 PHE QE 0.000 . 5.000 3.878 3.134 4.429 . 0 0 "[ . 1 . 2]" 1
607 1 80 TRP HD1 1 99 ARG HA 0.000 . 4.000 3.652 3.255 4.008 0.008 16 0 "[ . 1 . 2]" 1
608 1 80 TRP HD1 1 99 ARG QG 0.000 . 4.000 3.930 3.693 4.013 0.013 5 0 "[ . 1 . 2]" 1
609 1 80 TRP HD1 1 100 PRO HD2 0.000 . 5.000 2.961 2.707 3.206 . 0 0 "[ . 1 . 2]" 1
610 1 80 TRP HD1 1 100 PRO HD3 0.000 . 5.000 3.099 2.350 3.425 . 0 0 "[ . 1 . 2]" 1
611 1 80 TRP HD1 1 100 PRO HG3 0.000 . 4.000 3.859 2.804 4.010 0.010 5 0 "[ . 1 . 2]" 1
612 1 80 TRP HE1 1 92 PHE QD 0.000 . 5.000 3.313 2.690 3.858 . 0 0 "[ . 1 . 2]" 1
613 1 80 TRP HE1 1 98 ASP HA 0.000 . 3.000 2.505 1.897 2.991 . 0 0 "[ . 1 . 2]" 1
614 1 80 TRP HE1 1 99 ARG H 0.000 . 4.000 3.936 3.517 4.022 0.022 2 0 "[ . 1 . 2]" 1
615 1 80 TRP HE1 1 99 ARG QG 0.000 . 5.000 4.546 4.033 4.894 . 0 0 "[ . 1 . 2]" 1
616 1 80 TRP HE1 1 100 PRO HD2 0.000 . 4.000 3.813 3.518 4.022 0.022 6 0 "[ . 1 . 2]" 1
617 1 80 TRP HE1 1 100 PRO HD3 0.000 . 4.000 2.914 2.586 3.135 . 0 0 "[ . 1 . 2]" 1
618 1 80 TRP HE1 1 100 PRO HG3 0.000 . 5.000 4.699 4.408 5.005 0.005 9 0 "[ . 1 . 2]" 1
619 1 80 TRP HZ2 1 98 ASP HA 0.000 . 3.000 1.999 1.861 2.397 . 0 0 "[ . 1 . 2]" 1
620 1 81 HIS HA 1 84 ARG H 0.000 . 5.000 3.455 3.190 3.584 . 0 0 "[ . 1 . 2]" 1
621 1 81 HIS HA 1 84 ARG HB2 0.000 . 5.000 3.481 2.467 3.995 . 0 0 "[ . 1 . 2]" 1
622 1 81 HIS HA 1 84 ARG HB3 0.000 . 5.000 3.334 2.634 4.538 . 0 0 "[ . 1 . 2]" 1
623 1 82 LEU HA 1 85 SER H 0.000 . 5.000 3.415 3.131 3.617 . 0 0 "[ . 1 . 2]" 1
624 1 82 LEU HB3 1 83 VAL H 0.000 . 5.000 2.579 2.214 2.743 . 0 0 "[ . 1 . 2]" 1
625 1 82 LEU HB3 1 83 VAL MG2 0.000 . 4.000 3.348 2.561 3.595 . 0 0 "[ . 1 . 2]" 1
626 1 83 VAL H 1 83 VAL HB 0.000 . 3.000 2.490 2.357 2.790 . 0 0 "[ . 1 . 2]" 1
627 1 83 VAL H 1 84 ARG H 0.000 . 4.000 2.777 2.605 2.911 . 0 0 "[ . 1 . 2]" 1
628 1 83 VAL HA 1 85 SER H 0.000 . 5.000 4.260 3.903 4.445 . 0 0 "[ . 1 . 2]" 1
629 1 83 VAL HA 1 86 VAL H 0.000 . 5.000 3.496 3.285 3.845 . 0 0 "[ . 1 . 2]" 1
630 1 83 VAL HA 1 86 VAL QG 0.000 . 5.000 2.134 1.860 2.544 . 0 0 "[ . 1 . 2]" 1
631 1 83 VAL MG1 1 92 PHE H 0.000 . 5.000 4.901 4.387 5.016 0.016 5 0 "[ . 1 . 2]" 1
632 1 83 VAL MG1 1 92 PHE QD 0.000 . 4.000 3.235 2.622 3.810 . 0 0 "[ . 1 . 2]" 1
633 1 83 VAL MG1 1 92 PHE QE 0.000 . 4.000 2.483 1.978 3.050 . 0 0 "[ . 1 . 2]" 1
634 1 83 VAL MG1 1 92 PHE HZ 0.000 . 5.000 2.808 2.416 3.238 . 0 0 "[ . 1 . 2]" 1
635 1 83 VAL MG2 1 92 PHE QD 0.000 . 5.000 4.019 3.740 4.399 . 0 0 "[ . 1 . 2]" 1
636 1 83 VAL MG2 1 92 PHE QE 0.000 . 4.000 2.120 1.820 2.874 . 0 0 "[ . 1 . 2]" 1
637 1 83 VAL MG2 1 92 PHE HZ 0.000 . 4.000 1.933 1.716 3.052 . 0 0 "[ . 1 . 2]" 1
638 1 84 ARG H 1 86 VAL H 0.000 . 5.000 4.205 3.838 4.965 . 0 0 "[ . 1 . 2]" 1
639 1 84 ARG HA 1 86 VAL H 0.000 . 5.000 4.141 3.787 4.914 . 0 0 "[ . 1 . 2]" 1
640 1 84 ARG HA 1 89 VAL QG 0.000 . 4.000 3.140 2.622 3.672 . 0 0 "[ . 1 . 2]" 1
641 1 85 SER H 1 86 VAL H 0.000 . 4.000 2.666 2.403 2.971 . 0 0 "[ . 1 . 2]" 1
642 1 85 SER HA 1 86 VAL H 0.000 . 4.000 3.520 3.440 3.590 . 0 0 "[ . 1 . 2]" 1
643 1 85 SER QB 1 86 VAL H 0.000 . 4.000 2.985 2.040 3.679 . 0 0 "[ . 1 . 2]" 1
644 1 86 VAL H 1 86 VAL HB 0.000 . 2.700 2.626 2.428 2.738 0.038 15 0 "[ . 1 . 2]" 1
645 1 86 VAL H 1 86 VAL QG 0.000 . 3.000 1.998 1.829 2.377 . 0 0 "[ . 1 . 2]" 1
646 1 86 VAL H 1 89 VAL QG 0.000 . 4.000 3.638 3.283 3.933 . 0 0 "[ . 1 . 2]" 1
647 1 86 VAL HA 1 87 PRO HD3 0.000 . 4.000 2.331 2.304 2.388 . 0 0 "[ . 1 . 2]" 1
648 1 87 PRO HA 1 88 ARG H 0.000 . 2.700 2.400 2.279 2.706 0.006 10 0 "[ . 1 . 2]" 1
649 1 87 PRO HA 1 89 VAL H 0.000 . 5.000 3.516 3.040 3.954 . 0 0 "[ . 1 . 2]" 1
650 1 88 ARG H 1 88 ARG HA 0.000 . 2.700 2.346 2.343 2.348 . 0 0 "[ . 1 . 2]" 1
651 1 88 ARG H 1 89 VAL H 0.000 . 3.000 2.689 2.623 2.803 . 0 0 "[ . 1 . 2]" 1
652 1 89 VAL H 1 89 VAL HB 0.000 . 3.000 2.832 2.601 3.012 0.012 13 0 "[ . 1 . 2]" 1
653 1 89 VAL H 1 89 VAL QG 0.000 . 3.000 2.445 2.003 2.904 . 0 0 "[ . 1 . 2]" 1
654 1 89 VAL HA 1 90 MET H 0.000 . 4.000 2.201 2.190 2.232 . 0 0 "[ . 1 . 2]" 1
655 1 89 VAL HA 1 91 GLY H 0.000 . 5.000 4.087 3.806 4.498 . 0 0 "[ . 1 . 2]" 1
656 1 89 VAL QG 1 90 MET H 0.000 . 5.000 2.587 2.233 2.896 . 0 0 "[ . 1 . 2]" 1
657 1 89 VAL QG 1 91 GLY H 0.000 . 3.000 2.424 2.187 2.779 . 0 0 "[ . 1 . 2]" 1
658 1 89 VAL QG 1 91 GLY HA2 0.000 . 5.000 2.982 2.721 3.197 . 0 0 "[ . 1 . 2]" 1
659 1 89 VAL QG 1 91 GLY HA3 0.000 . 5.000 4.098 3.947 4.314 . 0 0 "[ . 1 . 2]" 1
660 1 90 MET H 1 91 GLY H 0.000 . 3.000 2.637 2.352 2.853 . 0 0 "[ . 1 . 2]" 1
661 1 90 MET HB2 1 91 GLY H 0.000 . 3.000 2.513 2.249 2.690 . 0 0 "[ . 1 . 2]" 1
662 1 91 GLY HA2 1 92 PHE H 0.000 . 3.000 2.920 2.651 3.004 0.004 12 0 "[ . 1 . 2]" 1
663 1 91 GLY HA3 1 92 PHE H 0.000 . 3.000 2.349 2.284 2.566 . 0 0 "[ . 1 . 2]" 1
664 1 92 PHE HA 1 93 ILE H 0.000 . 4.000 2.422 2.373 2.510 . 0 0 "[ . 1 . 2]" 1
665 1 92 PHE HB2 1 93 ILE H 0.000 . 4.000 3.941 3.634 4.010 0.010 19 0 "[ . 1 . 2]" 1
666 1 92 PHE HB2 1 99 ARG H 0.000 . 5.000 3.991 3.232 4.262 . 0 0 "[ . 1 . 2]" 1
667 1 92 PHE HB3 1 93 ILE H 0.000 . 3.000 2.633 2.530 2.696 . 0 0 "[ . 1 . 2]" 1
668 1 92 PHE HB3 1 99 ARG H 0.000 . 4.000 3.547 3.186 3.803 . 0 0 "[ . 1 . 2]" 1
669 1 92 PHE QD 1 97 SER HA 0.000 . 6.000 5.277 3.560 6.033 0.033 15 0 "[ . 1 . 2]" 1
670 1 92 PHE QD 1 100 PRO HB2 0.000 . 5.000 3.628 3.269 4.250 . 0 0 "[ . 1 . 2]" 1
671 1 92 PHE QD 1 100 PRO HB3 0.000 . 5.000 2.927 2.194 3.653 . 0 0 "[ . 1 . 2]" 1
672 1 92 PHE QE 1 100 PRO HB2 0.000 . 5.000 4.929 4.727 5.006 0.006 9 0 "[ . 1 . 2]" 1
673 1 92 PHE QE 1 100 PRO HB3 0.000 . 5.000 4.735 3.965 5.005 0.005 2 0 "[ . 1 . 2]" 1
674 1 92 PHE QE 1 100 PRO HG2 0.000 . 5.000 4.636 4.296 4.891 . 0 0 "[ . 1 . 2]" 1
675 1 92 PHE QE 1 100 PRO HG3 0.000 . 5.000 3.497 2.866 3.917 . 0 0 "[ . 1 . 2]" 1
676 1 92 PHE HZ 1 100 PRO QB 0.000 . 6.000 5.758 5.231 6.003 0.003 4 0 "[ . 1 . 2]" 1
677 1 93 ILE HA 1 94 GLY H 0.000 . 3.000 2.213 2.190 2.337 . 0 0 "[ . 1 . 2]" 1
678 1 93 ILE MD 1 94 GLY H 0.000 . 5.000 3.998 3.428 5.009 0.009 5 0 "[ . 1 . 2]" 1
679 1 93 ILE MG 1 94 GLY H 0.000 . 3.000 2.554 1.854 2.956 . 0 0 "[ . 1 . 2]" 1
680 1 93 ILE MG 1 94 GLY HA3 0.000 . 5.000 4.278 3.654 4.613 . 0 0 "[ . 1 . 2]" 1
681 1 94 GLY HA2 1 95 GLY H 0.000 . 4.000 2.968 2.219 3.391 . 0 0 "[ . 1 . 2]" 1
682 1 94 GLY HA2 1 101 ALA H 0.000 . 5.000 3.450 2.748 5.013 0.013 16 0 "[ . 1 . 2]" 1
683 1 94 GLY HA3 1 95 GLY H 0.000 . 4.000 2.357 2.186 3.144 . 0 0 "[ . 1 . 2]" 1
684 1 94 GLY HA3 1 96 THR H 0.000 . 5.000 4.069 3.502 5.008 0.008 17 0 "[ . 1 . 2]" 1
685 1 94 GLY HA3 1 101 ALA H 0.000 . 5.000 2.230 1.870 3.324 . 0 0 "[ . 1 . 2]" 1
686 1 94 GLY HA3 1 101 ALA MB 0.000 . 5.000 3.257 2.663 3.572 . 0 0 "[ . 1 . 2]" 1
687 1 95 GLY H 1 101 ALA H 0.000 . 5.000 2.255 1.871 4.262 . 0 0 "[ . 1 . 2]" 1
688 1 95 GLY H 1 101 ALA MB 0.000 . 5.000 2.370 2.065 3.459 . 0 0 "[ . 1 . 2]" 1
689 1 95 GLY HA2 1 96 THR H 0.000 . 4.000 3.547 3.486 3.591 . 0 0 "[ . 1 . 2]" 1
690 1 95 GLY HA2 1 101 ALA H 0.000 . 5.000 4.844 4.664 4.986 . 0 0 "[ . 1 . 2]" 1
691 1 95 GLY HA2 1 101 ALA MB 0.000 . 4.000 3.981 3.540 4.026 0.026 12 0 "[ . 1 . 2]" 1
692 1 95 GLY HA3 1 96 THR H 0.000 . 4.000 2.700 2.277 2.988 . 0 0 "[ . 1 . 2]" 1
693 1 95 GLY HA3 1 101 ALA H 0.000 . 5.000 4.043 3.475 4.348 . 0 0 "[ . 1 . 2]" 1
694 1 95 GLY HA3 1 101 ALA MB 0.000 . 4.000 3.333 2.918 3.453 . 0 0 "[ . 1 . 2]" 1
695 1 96 THR H 1 96 THR MG 0.000 . 3.000 2.455 1.868 2.764 . 0 0 "[ . 1 . 2]" 1
696 1 96 THR H 1 99 ARG H 0.000 . 5.000 3.685 3.370 3.963 . 0 0 "[ . 1 . 2]" 1
697 1 96 THR H 1 99 ARG QB 0.000 . 5.000 4.302 4.021 4.517 . 0 0 "[ . 1 . 2]" 1
698 1 96 THR H 1 101 ALA H 0.000 . 5.000 3.949 3.559 4.267 . 0 0 "[ . 1 . 2]" 1
699 1 96 THR H 1 101 ALA MB 0.000 . 5.000 4.499 4.284 4.867 . 0 0 "[ . 1 . 2]" 1
700 1 96 THR HB 1 98 ASP H 0.000 . 5.000 3.400 2.942 4.222 . 0 0 "[ . 1 . 2]" 1
701 1 96 THR HB 1 99 ARG H 0.000 . 5.000 4.344 3.736 5.007 0.007 4 0 "[ . 1 . 2]" 1
702 1 96 THR MG 1 98 ASP H 0.000 . 5.000 3.669 1.836 5.028 0.028 16 0 "[ . 1 . 2]" 1
703 1 97 SER HA 1 98 ASP H 0.000 . 3.000 3.059 2.845 3.110 0.110 18 0 "[ . 1 . 2]" 1
704 1 97 SER QB 1 98 ASP H 0.000 . 5.000 3.892 3.626 4.003 . 0 0 "[ . 1 . 2]" 1
705 1 97 SER QB 1 99 ARG H 0.000 . 6.000 5.206 4.083 5.436 . 0 0 "[ . 1 . 2]" 1
706 1 98 ASP H 1 99 ARG H 0.000 . 3.000 1.879 1.786 2.612 . 0 0 "[ . 1 . 2]" 1
707 1 98 ASP HA 1 99 ARG H 0.000 . 4.000 3.389 2.868 3.520 . 0 0 "[ . 1 . 2]" 1
708 1 99 ARG HA 1 100 PRO HD2 0.000 . 4.000 1.929 1.875 1.977 . 0 0 "[ . 1 . 2]" 1
709 1 99 ARG HA 1 100 PRO HD3 0.000 . 4.000 2.675 2.546 2.850 . 0 0 "[ . 1 . 2]" 1
710 1 100 PRO HA 1 101 ALA H 0.000 . 4.000 2.200 2.179 2.230 . 0 0 "[ . 1 . 2]" 1
711 1 101 ALA HA 1 102 PRO HD3 0.000 . 4.000 2.298 2.258 2.328 . 0 0 "[ . 1 . 2]" 1
712 1 101 ALA MB 1 102 PRO HD2 0.000 . 4.000 2.517 2.333 2.735 . 0 0 "[ . 1 . 2]" 1
713 1 101 ALA MB 1 102 PRO HD3 0.000 . 4.000 3.588 3.438 3.730 . 0 0 "[ . 1 . 2]" 1
714 1 102 PRO HA 1 103 ILE H 0.000 . 2.700 2.303 2.293 2.319 . 0 0 "[ . 1 . 2]" 1
715 1 102 PRO HB2 1 103 ILE H 0.000 . 3.000 2.995 2.950 3.016 0.016 12 0 "[ . 1 . 2]" 1
716 1 103 ILE H 1 103 ILE MG 0.000 . 3.000 2.617 2.419 2.779 . 0 0 "[ . 1 . 2]" 1
717 1 103 ILE HA 1 104 SER H 0.000 . 4.000 2.380 2.334 2.440 . 0 0 "[ . 1 . 2]" 1
718 1 103 ILE HB 1 104 SER H 0.000 . 3.000 2.692 2.561 2.806 . 0 0 "[ . 1 . 2]" 1
719 1 103 ILE HB 1 107 GLU QB 0.000 . 5.000 2.638 2.281 2.869 . 0 0 "[ . 1 . 2]" 1
720 1 103 ILE MD 1 107 GLU H 0.000 . 5.000 4.624 4.293 4.902 . 0 0 "[ . 1 . 2]" 1
721 1 103 ILE MD 1 107 GLU HA 0.000 . 5.000 4.775 4.405 5.005 0.005 15 0 "[ . 1 . 2]" 1
722 1 103 ILE MD 1 107 GLU QB 0.000 . 5.000 2.511 2.063 2.793 . 0 0 "[ . 1 . 2]" 1
723 1 103 ILE MD 1 108 VAL H 0.000 . 5.000 3.044 2.737 3.326 . 0 0 "[ . 1 . 2]" 1
724 1 103 ILE MD 1 108 VAL HA 0.000 . 4.000 3.026 2.664 3.253 . 0 0 "[ . 1 . 2]" 1
725 1 103 ILE MD 1 108 VAL MG2 0.000 . 4.000 1.718 1.588 1.933 . 0 0 "[ . 1 . 2]" 1
726 1 103 ILE QG 1 107 GLU H 0.000 . 6.000 4.627 4.400 4.768 . 0 0 "[ . 1 . 2]" 1
727 1 103 ILE QG 1 107 GLU QB 0.000 . 5.000 3.004 2.672 3.230 . 0 0 "[ . 1 . 2]" 1
728 1 103 ILE QG 1 107 GLU QG 0.000 . 6.000 3.893 3.088 4.505 . 0 0 "[ . 1 . 2]" 1
729 1 103 ILE HG12 1 108 VAL H 0.000 . 5.000 4.876 4.690 5.002 0.002 5 0 "[ . 1 . 2]" 1
730 1 103 ILE HG12 1 104 SER H 0.000 . 5.000 4.673 4.544 4.755 . 0 0 "[ . 1 . 2]" 1
731 1 103 ILE HG13 1 104 SER H 0.000 . 5.000 3.545 3.352 3.696 . 0 0 "[ . 1 . 2]" 1
732 1 103 ILE HG13 1 107 GLU QB 0.000 . 5.000 3.195 2.831 3.486 . 0 0 "[ . 1 . 2]" 1
733 1 103 ILE HG13 1 108 VAL MG2 0.000 . 5.000 2.498 2.137 2.857 . 0 0 "[ . 1 . 2]" 1
734 1 104 SER H 1 104 SER QB 0.000 . 3.000 2.495 2.411 2.530 . 0 0 "[ . 1 . 2]" 1
735 1 104 SER H 1 107 GLU H 0.000 . 5.000 4.116 3.942 4.294 . 0 0 "[ . 1 . 2]" 1
736 1 104 SER H 1 107 GLU QB 0.000 . 5.000 3.033 2.872 3.232 . 0 0 "[ . 1 . 2]" 1
737 1 104 SER H 1 107 GLU QG 0.000 . 5.000 3.582 2.250 4.837 . 0 0 "[ . 1 . 2]" 1
738 1 104 SER HA 1 105 ASP H 0.000 . 4.000 2.306 2.265 2.353 . 0 0 "[ . 1 . 2]" 1
739 1 104 SER QB 1 105 ASP H 0.000 . 3.000 2.798 2.713 2.916 . 0 0 "[ . 1 . 2]" 1
740 1 104 SER QB 1 106 LYS H 0.000 . 5.000 2.806 2.676 2.995 . 0 0 "[ . 1 . 2]" 1
741 1 104 SER QB 1 106 LYS QB 0.000 . 5.000 3.055 2.944 3.434 . 0 0 "[ . 1 . 2]" 1
742 1 104 SER QB 1 107 GLU H 0.000 . 5.000 2.593 2.399 3.535 . 0 0 "[ . 1 . 2]" 1
743 1 105 ASP H 1 105 ASP HB2 0.000 . 3.000 2.489 2.461 2.521 . 0 0 "[ . 1 . 2]" 1
744 1 105 ASP H 1 106 LYS H 0.000 . 4.000 2.740 2.630 2.841 . 0 0 "[ . 1 . 2]" 1
745 1 105 ASP H 1 107 GLU H 0.000 . 5.000 4.267 4.180 4.358 . 0 0 "[ . 1 . 2]" 1
746 1 105 ASP HA 1 106 LYS H 0.000 . 4.000 3.548 3.514 3.562 . 0 0 "[ . 1 . 2]" 1
747 1 105 ASP HA 1 108 VAL H 0.000 . 4.000 3.431 3.326 3.527 . 0 0 "[ . 1 . 2]" 1
748 1 105 ASP HA 1 108 VAL HB 0.000 . 4.000 3.182 2.889 3.476 . 0 0 "[ . 1 . 2]" 1
749 1 105 ASP HA 1 108 VAL MG1 0.000 . 5.000 4.475 4.258 4.708 . 0 0 "[ . 1 . 2]" 1
750 1 105 ASP HA 1 108 VAL MG2 0.000 . 4.000 2.908 2.728 3.109 . 0 0 "[ . 1 . 2]" 1
751 1 105 ASP HB2 1 106 LYS H 0.000 . 4.000 2.676 2.585 2.844 . 0 0 "[ . 1 . 2]" 1
752 1 106 LYS H 1 107 GLU H 0.000 . 5.000 2.726 2.632 2.827 . 0 0 "[ . 1 . 2]" 1
753 1 106 LYS H 1 108 VAL H 0.000 . 5.000 4.325 4.181 4.450 . 0 0 "[ . 1 . 2]" 1
754 1 106 LYS H 1 109 ASP H 0.000 . 5.000 4.944 4.804 5.007 0.007 3 0 "[ . 1 . 2]" 1
755 1 106 LYS HA 1 109 ASP H 0.000 . 5.000 3.315 3.164 3.393 . 0 0 "[ . 1 . 2]" 1
756 1 106 LYS HA 1 109 ASP HB2 0.000 . 3.000 2.789 2.565 2.955 . 0 0 "[ . 1 . 2]" 1
757 1 106 LYS HA 1 109 ASP HB3 0.000 . 5.000 4.362 4.171 4.492 . 0 0 "[ . 1 . 2]" 1
758 1 106 LYS QB 1 107 GLU H 0.000 . 3.000 2.572 2.456 2.692 . 0 0 "[ . 1 . 2]" 1
759 1 106 LYS QG 1 107 GLU HA 0.000 . 5.000 3.729 3.634 3.808 . 0 0 "[ . 1 . 2]" 1
760 1 107 GLU H 1 108 VAL H 0.000 . 5.000 2.789 2.657 2.898 . 0 0 "[ . 1 . 2]" 1
761 1 107 GLU HA 1 110 ALA H 0.000 . 5.000 3.330 3.185 3.423 . 0 0 "[ . 1 . 2]" 1
762 1 107 GLU HA 1 110 ALA MB 0.000 . 5.000 2.627 2.341 2.860 . 0 0 "[ . 1 . 2]" 1
763 1 107 GLU QB 1 108 VAL H 0.000 . 3.000 2.489 2.358 2.563 . 0 0 "[ . 1 . 2]" 1
764 1 107 GLU QB 1 109 ASP H 0.000 . 5.000 4.638 4.579 4.683 . 0 0 "[ . 1 . 2]" 1
765 1 107 GLU QB 1 110 ALA H 0.000 . 6.000 4.798 4.603 4.990 . 0 0 "[ . 1 . 2]" 1
766 1 108 VAL H 1 108 VAL HB 0.000 . 2.700 2.474 2.430 2.532 . 0 0 "[ . 1 . 2]" 1
767 1 108 VAL H 1 108 VAL MG2 0.000 . 3.000 2.193 2.025 2.392 . 0 0 "[ . 1 . 2]" 1
768 1 108 VAL HA 1 110 ALA H 0.000 . 5.000 4.311 4.172 4.461 . 0 0 "[ . 1 . 2]" 1
769 1 108 VAL HA 1 111 ILE H 0.000 . 5.000 3.539 3.346 3.695 . 0 0 "[ . 1 . 2]" 1
770 1 108 VAL HA 1 111 ILE MD 0.000 . 4.000 2.543 1.995 3.951 . 0 0 "[ . 1 . 2]" 1
771 1 108 VAL HA 1 112 MET H 0.000 . 5.000 4.578 4.278 5.002 0.002 3 0 "[ . 1 . 2]" 1
772 1 108 VAL HB 1 109 ASP H 0.000 . 3.000 2.678 2.537 2.774 . 0 0 "[ . 1 . 2]" 1
773 1 108 VAL MG1 1 109 ASP HA 0.000 . 5.000 3.493 3.272 3.629 . 0 0 "[ . 1 . 2]" 1
774 1 108 VAL MG1 1 112 MET ME 0.000 . 5.000 4.485 2.841 4.999 . 0 0 "[ . 1 . 2]" 1
775 1 109 ASP H 1 109 ASP HB2 0.000 . 3.000 2.432 2.412 2.448 . 0 0 "[ . 1 . 2]" 1
776 1 109 ASP H 1 110 ALA H 0.000 . 5.000 2.611 2.507 2.734 . 0 0 "[ . 1 . 2]" 1
777 1 109 ASP HA 1 109 ASP HB3 0.000 . 3.000 2.519 2.510 2.529 . 0 0 "[ . 1 . 2]" 1
778 1 109 ASP HA 1 110 ALA H 0.000 . 5.000 3.539 3.519 3.559 . 0 0 "[ . 1 . 2]" 1
779 1 109 ASP HA 1 112 MET H 0.000 . 5.000 3.647 3.524 3.759 . 0 0 "[ . 1 . 2]" 1
780 1 109 ASP HA 1 112 MET QB 0.000 . 5.000 3.142 2.848 3.581 . 0 0 "[ . 1 . 2]" 1
781 1 109 ASP HA 1 113 ASN H 0.000 . 5.000 4.298 3.845 4.700 . 0 0 "[ . 1 . 2]" 1
782 1 109 ASP HB2 1 110 ALA H 0.000 . 5.000 2.724 2.612 2.843 . 0 0 "[ . 1 . 2]" 1
783 1 109 ASP HB3 1 110 ALA H 0.000 . 5.000 3.686 3.572 3.788 . 0 0 "[ . 1 . 2]" 1
784 1 109 ASP HB3 1 113 ASN H 0.000 . 6.000 5.033 4.630 5.338 . 0 0 "[ . 1 . 2]" 1
785 1 110 ALA H 1 111 ILE H 0.000 . 3.000 2.725 2.598 2.868 . 0 0 "[ . 1 . 2]" 1
786 1 110 ALA H 1 112 MET H 0.000 . 5.000 4.451 4.344 4.647 . 0 0 "[ . 1 . 2]" 1
787 1 110 ALA HA 1 113 ASN H 0.000 . 4.000 3.294 3.143 3.406 . 0 0 "[ . 1 . 2]" 1
788 1 110 ALA HA 1 113 ASN HA 0.000 . 6.000 5.009 4.792 5.100 . 0 0 "[ . 1 . 2]" 1
789 1 110 ALA HA 1 113 ASN HB2 0.000 . 5.000 2.513 2.272 2.696 . 0 0 "[ . 1 . 2]" 1
790 1 110 ALA HA 1 113 ASN HB3 0.000 . 5.000 3.567 2.396 4.037 . 0 0 "[ . 1 . 2]" 1
791 1 110 ALA HA 1 113 ASN HD21 0.000 . 5.000 3.086 1.958 4.939 . 0 0 "[ . 1 . 2]" 1
792 1 110 ALA HA 1 113 ASN HD22 0.000 . 5.000 3.905 2.905 5.007 0.007 16 0 "[ . 1 . 2]" 1
793 1 110 ALA HA 1 114 ARG H 0.000 . 5.000 4.358 4.103 4.606 . 0 0 "[ . 1 . 2]" 1
794 1 110 ALA MB 1 111 ILE H 0.000 . 4.000 2.492 2.237 2.713 . 0 0 "[ . 1 . 2]" 1
795 1 110 ALA MB 1 113 ASN HB2 0.000 . 5.000 3.851 3.650 4.323 . 0 0 "[ . 1 . 2]" 1
796 1 110 ALA MB 1 113 ASN HB3 0.000 . 5.000 4.665 3.456 5.006 0.006 12 0 "[ . 1 . 2]" 1
797 1 110 ALA MB 1 114 ARG QD 0.000 . 6.000 4.841 3.987 5.979 . 0 0 "[ . 1 . 2]" 1
798 1 111 ILE H 1 111 ILE HB 0.000 . 3.000 2.603 2.534 2.670 . 0 0 "[ . 1 . 2]" 1
799 1 111 ILE H 1 112 MET H 0.000 . 3.000 2.942 2.875 3.008 0.008 16 0 "[ . 1 . 2]" 1
800 1 111 ILE HB 1 112 MET H 0.000 . 5.000 2.319 2.212 2.428 . 0 0 "[ . 1 . 2]" 1
801 1 111 ILE MG 1 112 MET H 0.000 . 4.000 3.259 3.189 3.366 . 0 0 "[ . 1 . 2]" 1
802 1 112 MET HA 1 113 ASN H 0.000 . 5.000 3.541 3.517 3.553 . 0 0 "[ . 1 . 2]" 1
803 1 112 MET HA 1 115 LEU H 0.000 . 5.000 3.459 3.284 3.567 . 0 0 "[ . 1 . 2]" 1
804 1 112 MET HA 1 115 LEU QB 0.000 . 5.000 3.280 2.745 3.843 . 0 0 "[ . 1 . 2]" 1
805 1 112 MET HA 1 115 LEU QD 0.000 . 5.000 3.606 2.340 4.323 . 0 0 "[ . 1 . 2]" 1
806 1 112 MET HB2 1 113 ASN H 0.000 . 5.000 2.878 2.613 3.884 . 0 0 "[ . 1 . 2]" 1
807 1 112 MET HB3 1 113 ASN H 0.000 . 5.000 3.565 2.642 3.846 . 0 0 "[ . 1 . 2]" 1
808 1 113 ASN HA 1 114 ARG H 0.000 . 5.000 3.547 3.521 3.578 . 0 0 "[ . 1 . 2]" 1
809 1 113 ASN HA 1 116 GLN H 0.000 . 4.000 3.456 3.308 3.650 . 0 0 "[ . 1 . 2]" 1
810 1 113 ASN HA 1 116 GLN QB 0.000 . 6.000 3.141 2.731 3.601 . 0 0 "[ . 1 . 2]" 1
811 1 114 ARG HA 1 115 LEU H 0.000 . 4.000 3.571 3.543 3.587 . 0 0 "[ . 1 . 2]" 1
812 1 114 ARG HA 1 117 GLN H 0.000 . 4.000 3.188 3.039 3.303 . 0 0 "[ . 1 . 2]" 1
813 1 114 ARG HA 1 117 GLN HB2 0.000 . 3.000 2.860 2.346 3.008 0.008 4 0 "[ . 1 . 2]" 1
814 1 114 ARG HA 1 117 GLN HB3 0.000 . 3.000 2.843 2.202 3.018 0.018 12 0 "[ . 1 . 2]" 1
815 1 114 ARG HA 1 117 GLN QG 0.000 . 5.000 4.524 3.972 4.752 . 0 0 "[ . 1 . 2]" 1
816 1 114 ARG QB 1 115 LEU HG 0.000 . 6.000 5.355 3.327 6.034 0.034 12 0 "[ . 1 . 2]" 1
817 1 115 LEU HA 1 116 GLN H 0.000 . 5.000 3.566 3.547 3.580 . 0 0 "[ . 1 . 2]" 1
818 1 115 LEU MD2 1 116 GLN HA 0.000 . 6.000 4.655 3.963 5.764 . 0 0 "[ . 1 . 2]" 1
819 1 116 GLN HA 1 117 GLN H 0.000 . 5.000 3.484 3.228 3.540 . 0 0 "[ . 1 . 2]" 1
820 1 117 GLN HA 1 118 VAL H 0.000 . 4.000 2.423 2.195 3.547 . 0 0 "[ . 1 . 2]" 1
821 1 118 VAL HA 1 119 GLY H 0.000 . 4.000 2.689 2.212 3.566 . 0 0 "[ . 1 . 2]" 1
822 1 118 VAL HB 1 120 ASP H 0.000 . 5.000 3.306 2.381 4.950 . 0 0 "[ . 1 . 2]" 1
823 1 118 VAL HB 1 120 ASP HA 0.000 . 5.000 4.856 4.449 5.001 0.001 16 0 "[ . 1 . 2]" 1
824 1 118 VAL QG 1 120 ASP H 0.000 . 6.000 2.831 1.875 4.496 . 0 0 "[ . 1 . 2]" 1
825 1 119 GLY QA 1 120 ASP H 0.000 . 4.000 2.704 2.186 2.939 . 0 0 "[ . 1 . 2]" 1
stop_
save_