NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
376164 |
1fex   |
4639 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fex
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 771
_Distance_constraint_stats_list.Viol_count 635
_Distance_constraint_stats_list.Viol_total 1658.355
_Distance_constraint_stats_list.Viol_max 3.846
_Distance_constraint_stats_list.Viol_rms 0.0734
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.1045
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 3 ILE 42.830 3.846 9 22 "[*******-+*** ********* *.]"
1 4 ALA 0.389 0.065 14 0 "[ . 1 . 2 .]"
1 5 PHE 42.519 3.846 9 22 "[*******-+*** ********* *.]"
1 6 THR 0.001 0.001 7 0 "[ . 1 . 2 .]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 9 ASP 0.167 0.046 9 0 "[ . 1 . 2 .]"
1 10 ASP 0.244 0.052 20 0 "[ . 1 . 2 .]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 ALA 0.268 0.049 4 0 "[ . 1 . 2 .]"
1 13 ILE 0.244 0.052 20 0 "[ . 1 . 2 .]"
1 14 LEU 1.151 0.072 4 0 "[ . 1 . 2 .]"
1 15 THR 1.464 0.072 4 0 "[ . 1 . 2 .]"
1 16 TYR 0.084 0.083 11 0 "[ . 1 . 2 .]"
1 17 VAL 0.440 0.058 24 0 "[ . 1 . 2 .]"
1 18 LYS 0.044 0.017 19 0 "[ . 1 . 2 .]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 ASN 0.544 0.074 10 0 "[ . 1 . 2 .]"
1 21 ALA 1.687 0.097 12 0 "[ . 1 . 2 .]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 SER 0.656 0.072 7 0 "[ . 1 . 2 .]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 SER 1.937 0.103 17 0 "[ . 1 . 2 .]"
1 27 VAL 0.293 0.074 19 0 "[ . 1 . 2 .]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 29 GLY 0.016 0.016 13 0 "[ . 1 . 2 .]"
1 30 ASN 0.003 0.003 6 0 "[ . 1 . 2 .]"
1 31 ALA 1.800 0.111 20 0 "[ . 1 . 2 .]"
1 32 LEU 6.203 0.103 17 0 "[ . 1 . 2 .]"
1 33 TRP 2.898 0.082 23 0 "[ . 1 . 2 .]"
1 34 LYS 2.981 0.173 17 0 "[ . 1 . 2 .]"
1 35 ALA 0.205 0.083 17 0 "[ . 1 . 2 .]"
1 36 MET 0.131 0.074 14 0 "[ . 1 . 2 .]"
1 37 GLU 0.067 0.031 11 0 "[ . 1 . 2 .]"
1 38 LYS 0.000 0.000 9 0 "[ . 1 . 2 .]"
1 39 SER 0.014 0.004 25 0 "[ . 1 . 2 .]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 41 LEU 0.978 0.260 11 0 "[ . 1 . 2 .]"
1 42 THR 0.301 0.053 2 0 "[ . 1 . 2 .]"
1 43 GLN 1.301 0.100 5 0 "[ . 1 . 2 .]"
1 44 HIS 4.557 0.158 2 0 "[ . 1 . 2 .]"
1 45 SER 3.440 0.158 2 0 "[ . 1 . 2 .]"
1 46 TRP 4.427 0.260 11 0 "[ . 1 . 2 .]"
1 47 GLN 0.355 0.260 11 0 "[ . 1 . 2 .]"
1 48 SER 0.021 0.015 9 0 "[ . 1 . 2 .]"
1 49 LEU 1.510 0.106 13 0 "[ . 1 . 2 .]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 ASP 0.121 0.028 13 0 "[ . 1 . 2 .]"
1 52 ARG 0.626 0.052 17 0 "[ . 1 . 2 .]"
1 53 TYR 0.970 0.068 20 0 "[ . 1 . 2 .]"
1 54 LEU 0.190 0.068 20 0 "[ . 1 . 2 .]"
1 55 LYS 0.084 0.035 17 0 "[ . 1 . 2 .]"
1 56 HIS 0.499 0.052 17 0 "[ . 1 . 2 .]"
1 57 LEU 0.850 0.071 17 0 "[ . 1 . 2 .]"
1 58 ARG 0.569 0.132 4 0 "[ . 1 . 2 .]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ILE H 1 5 PHE HZ 2.000 . 5.000 6.679 4.556 8.846 3.846 9 22 "[*******-+*** ********* *.]" 1
2 1 3 ILE MD 1 4 ALA H 2.000 . 5.500 3.890 2.309 4.597 . 0 0 "[ . 1 . 2 .]" 1
3 1 3 ILE QG 1 4 ALA H 2.000 . 6.000 3.376 1.890 4.582 . 0 0 "[ . 1 . 2 .]" 1
4 1 3 ILE HB 1 4 ALA H 2.000 . 5.000 3.846 1.967 4.674 . 0 0 "[ . 1 . 2 .]" 1
5 1 4 ALA MB 1 5 PHE H 2.000 . 5.500 2.456 1.938 3.706 . 0 0 "[ . 1 . 2 .]" 1
6 1 3 ILE MD 1 5 PHE QD 2.000 . 8.500 5.620 4.120 6.404 . 0 0 "[ . 1 . 2 .]" 1
7 1 5 PHE QD 1 52 ARG QG 2.000 . 8.000 3.409 2.273 4.497 . 0 0 "[ . 1 . 2 .]" 1
8 1 5 PHE QD 1 49 LEU QD 2.000 . 9.900 4.261 3.611 5.441 . 0 0 "[ . 1 . 2 .]" 1
9 1 4 ALA MB 1 5 PHE QD 2.000 . 8.500 4.356 3.520 5.125 . 0 0 "[ . 1 . 2 .]" 1
10 1 2 ARG QB 1 5 PHE QD 2.000 . 8.000 5.621 4.113 6.603 . 0 0 "[ . 1 . 2 .]" 1
11 1 5 PHE QD 1 52 ARG QD 2.000 . 8.000 4.739 3.767 5.437 . 0 0 "[ . 1 . 2 .]" 1
12 1 5 PHE QD 1 9 ASP HB3 2.000 . 6.000 2.366 2.024 3.831 . 0 0 "[ . 1 . 2 .]" 1
13 1 5 PHE QD 1 9 ASP HB2 2.000 . 7.000 3.167 2.402 4.371 . 0 0 "[ . 1 . 2 .]" 1
14 1 4 ALA HA 1 5 PHE QD 2.000 . 7.000 3.609 2.476 5.535 . 0 0 "[ . 1 . 2 .]" 1
15 1 5 PHE QD 1 9 ASP HA 2.000 . 7.000 4.831 4.485 6.169 . 0 0 "[ . 1 . 2 .]" 1
16 1 5 PHE QD 1 6 THR H 2.000 . 7.000 3.958 2.477 4.659 . 0 0 "[ . 1 . 2 .]" 1
17 1 5 PHE QD 1 52 ARG HE 2.000 . 7.000 4.143 2.461 5.099 . 0 0 "[ . 1 . 2 .]" 1
18 1 5 PHE QE 1 52 ARG QG 2.000 . 8.000 3.455 2.215 4.498 . 0 0 "[ . 1 . 2 .]" 1
19 1 5 PHE QE 1 49 LEU QD 2.000 . 8.900 2.587 1.916 3.842 . 0 0 "[ . 1 . 2 .]" 1
20 1 5 PHE QE 1 9 ASP HB3 2.000 . 7.000 3.734 2.758 4.488 . 0 0 "[ . 1 . 2 .]" 1
21 1 5 PHE QE 1 9 ASP HB2 2.000 . 7.000 5.106 4.080 5.912 . 0 0 "[ . 1 . 2 .]" 1
22 1 5 PHE HZ 1 48 SER HB3 2.000 . 5.000 2.972 1.995 3.904 . 0 0 "[ . 1 . 2 .]" 1
23 1 5 PHE QE 1 48 SER HB2 2.000 . 6.000 4.524 3.862 5.562 . 0 0 "[ . 1 . 2 .]" 1
24 1 5 PHE HZ 1 44 HIS HB3 2.000 . 5.000 3.922 2.353 4.942 . 0 0 "[ . 1 . 2 .]" 1
25 1 5 PHE QE 1 44 HIS HB3 2.000 . 7.000 3.872 2.553 4.853 . 0 0 "[ . 1 . 2 .]" 1
26 1 6 THR H 1 9 ASP HB3 2.000 . 5.000 3.747 3.190 4.372 . 0 0 "[ . 1 . 2 .]" 1
27 1 6 THR H 1 9 ASP HB2 2.000 . 4.000 2.460 1.978 3.025 . 0 0 "[ . 1 . 2 .]" 1
28 1 5 PHE HB3 1 6 THR H 2.000 . 5.000 3.602 2.398 4.359 . 0 0 "[ . 1 . 2 .]" 1
29 1 6 THR H 1 9 ASP H 2.000 . 5.000 3.627 3.149 4.274 . 0 0 "[ . 1 . 2 .]" 1
30 1 6 THR HG1 1 7 ASP H 2.000 . 6.500 2.768 1.921 3.541 . 0 0 "[ . 1 . 2 .]" 1
31 1 7 ASP H 1 8 ALA MB 2.000 . 6.500 4.145 3.872 4.351 . 0 0 "[ . 1 . 2 .]" 1
32 1 7 ASP HA 1 10 ASP HB2 2.000 . 3.000 2.736 2.351 2.942 . 0 0 "[ . 1 . 2 .]" 1
33 1 7 ASP HB3 1 11 VAL MG2 2.000 . 6.500 3.773 3.199 4.083 . 0 0 "[ . 1 . 2 .]" 1
34 1 7 ASP HB3 1 8 ALA MB 2.000 . 6.500 4.561 4.169 4.870 . 0 0 "[ . 1 . 2 .]" 1
35 1 7 ASP HB2 1 8 ALA MB 2.000 . 6.500 4.042 3.889 4.268 . 0 0 "[ . 1 . 2 .]" 1
36 1 6 THR HG1 1 8 ALA H 2.000 . 6.500 2.760 2.034 4.096 . 0 0 "[ . 1 . 2 .]" 1
37 1 7 ASP HB2 1 8 ALA H 2.000 . 3.000 2.721 2.456 2.938 . 0 0 "[ . 1 . 2 .]" 1
38 1 7 ASP HB3 1 8 ALA H 2.000 . 4.000 3.467 3.010 3.767 . 0 0 "[ . 1 . 2 .]" 1
39 1 8 ALA HA 1 11 VAL MG1 2.000 . 5.500 4.342 3.974 4.586 . 0 0 "[ . 1 . 2 .]" 1
40 1 8 ALA HA 1 11 VAL MG2 2.000 . 5.500 3.170 2.290 3.743 . 0 0 "[ . 1 . 2 .]" 1
41 1 8 ALA HA 1 11 VAL HB 2.000 . 4.000 3.113 2.727 3.399 . 0 0 "[ . 1 . 2 .]" 1
42 1 6 THR HG1 1 9 ASP H 2.000 . 5.500 2.572 1.872 3.707 . 0 0 "[ . 1 . 2 .]" 1
43 1 8 ALA MB 1 9 ASP H 2.000 . 4.500 2.569 2.216 2.831 . 0 0 "[ . 1 . 2 .]" 1
44 1 5 PHE QD 1 9 ASP H 2.000 . 7.000 5.253 4.558 6.270 . 0 0 "[ . 1 . 2 .]" 1
45 1 9 ASP HA 1 12 ALA MB 2.000 . 4.500 2.587 2.286 3.028 . 0 0 "[ . 1 . 2 .]" 1
46 1 9 ASP H 1 10 ASP HB2 2.000 . 5.000 4.489 4.250 4.782 . 0 0 "[ . 1 . 2 .]" 1
47 1 9 ASP HA 1 42 THR HG1 2.000 . 6.000 3.049 2.067 4.129 . 0 0 "[ . 1 . 2 .]" 1
48 1 9 ASP HB3 1 10 ASP H 2.000 . 5.000 3.457 3.069 3.836 . 0 0 "[ . 1 . 2 .]" 1
49 1 9 ASP HB2 1 10 ASP H 2.000 . 3.000 2.666 2.323 2.993 . 0 0 "[ . 1 . 2 .]" 1
50 1 10 ASP HA 1 13 ILE QG 2.000 . 7.900 3.638 3.285 3.823 . 0 0 "[ . 1 . 2 .]" 1
51 1 10 ASP HA 1 13 ILE HB 2.000 . 3.000 2.926 2.572 3.052 0.052 20 0 "[ . 1 . 2 .]" 1
52 1 10 ASP HB3 1 57 LEU QD 2.000 . 7.900 4.318 2.887 5.011 . 0 0 "[ . 1 . 2 .]" 1
53 1 10 ASP HB2 1 57 LEU QD 2.000 . 8.900 5.436 4.032 6.181 . 0 0 "[ . 1 . 2 .]" 1
54 1 10 ASP HB3 1 11 VAL H 2.000 . 5.000 3.363 2.887 3.766 . 0 0 "[ . 1 . 2 .]" 1
55 1 10 ASP HB2 1 11 VAL H 2.000 . 3.000 2.688 2.470 2.895 . 0 0 "[ . 1 . 2 .]" 1
56 1 11 VAL HA 1 14 LEU QB 2.000 . 4.000 2.557 2.258 2.922 . 0 0 "[ . 1 . 2 .]" 1
57 1 11 VAL HA 1 14 LEU HG 2.000 . 5.000 4.709 4.236 4.994 . 0 0 "[ . 1 . 2 .]" 1
58 1 10 ASP HB3 1 11 VAL HA 2.000 . 5.000 4.259 4.021 4.521 . 0 0 "[ . 1 . 2 .]" 1
59 1 8 ALA MB 1 12 ALA H 2.000 . 6.500 4.820 4.556 5.092 . 0 0 "[ . 1 . 2 .]" 1
60 1 8 ALA MB 1 12 ALA MB 2.000 . 8.000 4.247 3.808 4.767 . 0 0 "[ . 1 . 2 .]" 1
61 1 12 ALA HA 1 16 TYR QB 2.000 . 6.000 4.141 3.798 4.696 . 0 0 "[ . 1 . 2 .]" 1
62 1 12 ALA MB 1 13 ILE H 2.000 . 4.500 2.421 2.181 2.773 . 0 0 "[ . 1 . 2 .]" 1
63 1 13 ILE HA 1 17 VAL MG2 2.000 . 5.500 3.317 2.902 3.599 . 0 0 "[ . 1 . 2 .]" 1
64 1 13 ILE HA 1 16 TYR QB 2.000 . 4.000 2.708 2.456 3.042 . 0 0 "[ . 1 . 2 .]" 1
65 1 12 ALA MB 1 13 ILE HA 2.000 . 6.500 3.835 3.738 3.907 . 0 0 "[ . 1 . 2 .]" 1
66 1 13 ILE QG 1 17 VAL MG2 2.000 . 8.900 2.325 1.938 2.655 . 0 0 "[ . 1 . 2 .]" 1
67 1 13 ILE QG 1 14 LEU H 2.000 . 8.900 3.261 3.050 3.476 . 0 0 "[ . 1 . 2 .]" 1
68 1 13 ILE HB 1 14 LEU H 2.000 . 4.000 2.573 2.327 2.943 . 0 0 "[ . 1 . 2 .]" 1
69 1 14 LEU HA 1 17 VAL MG1 2.000 . 6.500 4.063 4.006 4.103 . 0 0 "[ . 1 . 2 .]" 1
70 1 14 LEU HA 1 17 VAL MG2 2.000 . 5.500 3.534 3.131 3.882 . 0 0 "[ . 1 . 2 .]" 1
71 1 14 LEU HA 1 17 VAL HB 2.000 . 3.000 2.827 2.658 2.953 . 0 0 "[ . 1 . 2 .]" 1
72 1 14 LEU HA 1 57 LEU QD 2.000 . 8.900 4.682 3.515 5.421 . 0 0 "[ . 1 . 2 .]" 1
73 1 14 LEU H 1 17 VAL MG2 2.000 . 6.500 4.565 4.110 4.832 . 0 0 "[ . 1 . 2 .]" 1
74 1 14 LEU QB 1 17 VAL MG1 2.000 . 7.500 5.534 5.477 5.581 . 0 0 "[ . 1 . 2 .]" 1
75 1 14 LEU QB 1 57 LEU QD 2.000 . 9.900 4.078 2.883 4.969 . 0 0 "[ . 1 . 2 .]" 1
76 1 11 VAL MG1 1 15 THR H 2.000 . 6.500 3.822 3.449 4.022 . 0 0 "[ . 1 . 2 .]" 1
77 1 11 VAL MG2 1 15 THR H 2.000 . 6.500 5.337 5.162 5.437 . 0 0 "[ . 1 . 2 .]" 1
78 1 14 LEU HG 1 15 THR H 2.000 . 3.000 3.046 3.020 3.072 0.072 4 0 "[ . 1 . 2 .]" 1
79 1 14 LEU QB 1 15 THR H 2.000 . 4.000 2.174 2.067 2.344 . 0 0 "[ . 1 . 2 .]" 1
80 1 15 THR H 1 16 TYR QB 2.000 . 6.000 4.520 4.435 4.607 . 0 0 "[ . 1 . 2 .]" 1
81 1 15 THR HA 1 18 LYS QB 2.000 . 4.000 2.757 2.453 3.185 . 0 0 "[ . 1 . 2 .]" 1
82 1 12 ALA MB 1 16 TYR H 2.000 . 6.500 4.696 4.398 5.010 . 0 0 "[ . 1 . 2 .]" 1
83 1 16 TYR H 1 17 VAL HB 2.000 . 5.000 4.708 4.472 4.887 . 0 0 "[ . 1 . 2 .]" 1
84 1 15 THR HG1 1 16 TYR H 2.000 . 6.500 3.274 1.959 3.669 . 0 0 "[ . 1 . 2 .]" 1
85 1 15 THR HB 1 16 TYR H 2.000 . 4.000 2.580 2.176 4.001 0.001 24 0 "[ . 1 . 2 .]" 1
86 1 16 TYR QD 1 32 LEU QD 2.000 . 8.500 3.133 2.407 4.222 . 0 0 "[ . 1 . 2 .]" 1
87 1 16 TYR QD 1 32 LEU HB3 2.000 . 8.000 5.077 4.716 5.378 . 0 0 "[ . 1 . 2 .]" 1
88 1 16 TYR QD 1 17 VAL MG2 2.000 . 8.500 2.373 2.064 2.727 . 0 0 "[ . 1 . 2 .]" 1
89 1 16 TYR QD 1 32 LEU HG 2.000 . 7.000 4.194 3.842 4.907 . 0 0 "[ . 1 . 2 .]" 1
90 1 16 TYR QD 1 41 LEU QD 2.000 . 10.900 4.425 2.352 5.240 . 0 0 "[ . 1 . 2 .]" 1
91 1 16 TYR QD 1 36 MET QG 2.000 . 8.000 3.258 2.774 4.346 . 0 0 "[ . 1 . 2 .]" 1
92 1 16 TYR QD 1 41 LEU HB2 2.000 . 7.000 4.978 3.318 6.352 . 0 0 "[ . 1 . 2 .]" 1
93 1 16 TYR QD 1 20 ASN HB3 2.000 . 7.000 5.647 5.282 6.199 . 0 0 "[ . 1 . 2 .]" 1
94 1 16 TYR QD 1 20 ASN HB2 2.000 . 7.000 4.319 3.801 4.719 . 0 0 "[ . 1 . 2 .]" 1
95 1 16 TYR QD 1 40 SER QB 2.000 . 8.000 4.821 3.109 5.772 . 0 0 "[ . 1 . 2 .]" 1
96 1 16 TYR QE 1 32 LEU QD 2.000 . 9.900 2.823 2.020 3.695 . 0 0 "[ . 1 . 2 .]" 1
97 1 16 TYR QE 1 32 LEU HB3 2.000 . 6.000 3.907 3.592 4.105 . 0 0 "[ . 1 . 2 .]" 1
98 1 16 TYR QE 1 32 LEU HG 2.000 . 5.000 2.445 2.066 3.089 . 0 0 "[ . 1 . 2 .]" 1
99 1 16 TYR QE 1 41 LEU QD 2.000 . 9.900 5.200 3.502 5.771 . 0 0 "[ . 1 . 2 .]" 1
100 1 16 TYR QE 1 36 MET QG 2.000 . 6.000 2.974 2.451 4.168 . 0 0 "[ . 1 . 2 .]" 1
101 1 16 TYR QE 1 35 ALA MB 2.000 . 8.500 3.850 3.199 4.316 . 0 0 "[ . 1 . 2 .]" 1
102 1 16 TYR QE 1 41 LEU HB2 2.000 . 7.000 5.704 4.567 6.344 . 0 0 "[ . 1 . 2 .]" 1
103 1 16 TYR QE 1 20 ASN HB3 2.000 . 7.000 4.821 4.354 5.398 . 0 0 "[ . 1 . 2 .]" 1
104 1 16 TYR QE 1 20 ASN HB2 2.000 . 6.000 4.000 3.570 4.301 . 0 0 "[ . 1 . 2 .]" 1
105 1 16 TYR QE 1 40 SER QB 2.000 . 7.000 4.582 3.419 5.381 . 0 0 "[ . 1 . 2 .]" 1
106 1 16 TYR QB 1 17 VAL MG2 2.000 . 8.500 2.853 2.731 3.027 . 0 0 "[ . 1 . 2 .]" 1
107 1 15 THR HG1 1 16 TYR QB 2.000 . 7.500 4.119 2.848 4.495 . 0 0 "[ . 1 . 2 .]" 1
108 1 16 TYR QB 1 36 MET QB 2.000 . 7.000 4.917 4.252 5.505 . 0 0 "[ . 1 . 2 .]" 1
109 1 16 TYR QB 1 41 LEU QD 2.000 . 10.900 4.326 1.717 5.268 0.083 11 0 "[ . 1 . 2 .]" 1
110 1 16 TYR HA 1 19 GLU QB 2.000 . 5.000 2.724 2.413 3.174 . 0 0 "[ . 1 . 2 .]" 1
111 1 16 TYR QE 1 33 TRP HA 2.000 . 6.000 4.197 3.476 4.601 . 0 0 "[ . 1 . 2 .]" 1
112 1 13 ILE QG 1 17 VAL H 2.000 . 8.900 4.005 3.629 4.381 . 0 0 "[ . 1 . 2 .]" 1
113 1 16 TYR QD 1 17 VAL H 2.000 . 7.000 2.974 2.691 3.448 . 0 0 "[ . 1 . 2 .]" 1
114 1 17 VAL HA 1 32 LEU QD 2.000 . 7.900 2.289 1.843 2.744 . 0 0 "[ . 1 . 2 .]" 1
115 1 17 VAL HA 1 32 LEU HB3 2.000 . 5.000 4.787 4.229 5.058 0.058 24 0 "[ . 1 . 2 .]" 1
116 1 17 VAL HA 1 21 ALA MB 2.000 . 5.500 2.661 1.970 3.497 . 0 0 "[ . 1 . 2 .]" 1
117 1 17 VAL MG2 1 32 LEU QD 2.000 . 8.400 3.062 2.663 3.668 . 0 0 "[ . 1 . 2 .]" 1
118 1 17 VAL MG1 1 32 LEU QD 2.000 . 9.400 2.972 2.313 3.377 . 0 0 "[ . 1 . 2 .]" 1
119 1 13 ILE QG 1 17 VAL HB 2.000 . 8.900 3.923 3.461 4.359 . 0 0 "[ . 1 . 2 .]" 1
120 1 16 TYR QB 1 17 VAL H 2.000 . 4.000 2.301 2.163 2.627 . 0 0 "[ . 1 . 2 .]" 1
121 1 17 VAL MG1 1 18 LYS H 2.000 . 6.500 3.241 3.020 3.607 . 0 0 "[ . 1 . 2 .]" 1
122 1 17 VAL MG2 1 18 LYS H 2.000 . 6.500 3.832 3.686 3.936 . 0 0 "[ . 1 . 2 .]" 1
123 1 17 VAL MG2 1 18 LYS HA 2.000 . 6.500 5.476 5.448 5.500 . 0 0 "[ . 1 . 2 .]" 1
124 1 18 LYS HA 1 21 ALA MB 2.000 . 5.500 3.626 3.159 4.115 . 0 0 "[ . 1 . 2 .]" 1
125 1 18 LYS QB 1 19 GLU H 2.000 . 5.000 2.945 2.529 3.403 . 0 0 "[ . 1 . 2 .]" 1
126 1 19 GLU QB 1 20 ASN H 2.000 . 4.000 2.662 2.288 3.089 . 0 0 "[ . 1 . 2 .]" 1
127 1 20 ASN H 1 21 ALA MB 2.000 . 6.500 3.885 3.603 4.194 . 0 0 "[ . 1 . 2 .]" 1
128 1 16 TYR QD 1 20 ASN QD 2.000 . 8.000 3.112 2.621 3.783 . 0 0 "[ . 1 . 2 .]" 1
129 1 16 TYR QE 1 20 ASN QD 2.000 . 7.000 2.552 2.357 3.003 . 0 0 "[ . 1 . 2 .]" 1
130 1 19 GLU H 1 20 ASN QD 2.000 . 7.000 4.878 4.110 5.690 . 0 0 "[ . 1 . 2 .]" 1
131 1 20 ASN QD 1 32 LEU HB3 2.000 . 6.000 5.090 5.043 5.134 . 0 0 "[ . 1 . 2 .]" 1
132 1 19 GLU QB 1 20 ASN QD 2.000 . 5.000 3.675 3.014 4.029 . 0 0 "[ . 1 . 2 .]" 1
133 1 16 TYR HA 1 20 ASN QD 2.000 . 5.000 3.689 2.666 4.466 . 0 0 "[ . 1 . 2 .]" 1
134 1 20 ASN HB2 1 32 LEU HB3 2.000 . 5.000 4.764 4.639 4.875 . 0 0 "[ . 1 . 2 .]" 1
135 1 20 ASN HB2 1 32 LEU QD 2.000 . 8.900 1.806 1.735 1.912 0.065 3 0 "[ . 1 . 2 .]" 1
136 1 20 ASN HB3 1 32 LEU QD 2.000 . 8.900 1.875 1.726 2.110 0.074 10 0 "[ . 1 . 2 .]" 1
137 1 19 GLU QB 1 21 ALA H 2.000 . 6.000 4.820 4.527 5.147 . 0 0 "[ . 1 . 2 .]" 1
138 1 20 ASN HB3 1 21 ALA H 2.000 . 5.000 3.358 3.087 3.715 . 0 0 "[ . 1 . 2 .]" 1
139 1 20 ASN HB2 1 21 ALA H 2.000 . 5.000 2.119 1.982 2.376 . 0 0 "[ . 1 . 2 .]" 1
140 1 21 ALA H 1 32 LEU QD 2.000 . 8.900 1.928 1.841 2.086 . 0 0 "[ . 1 . 2 .]" 1
141 1 21 ALA H 1 32 LEU HB3 2.000 . 5.000 5.041 4.949 5.097 0.097 12 0 "[ . 1 . 2 .]" 1
142 1 20 ASN QD 1 21 ALA H 2.000 . 6.000 4.079 3.637 4.341 . 0 0 "[ . 1 . 2 .]" 1
143 1 21 ALA HA 1 32 LEU QD 2.000 . 8.900 2.280 1.995 2.785 . 0 0 "[ . 1 . 2 .]" 1
144 1 21 ALA HA 1 32 LEU HB3 2.000 . 5.000 5.004 4.891 5.068 0.068 19 0 "[ . 1 . 2 .]" 1
145 1 26 SER QB 1 27 VAL H 2.000 . 5.000 2.663 2.090 3.690 . 0 0 "[ . 1 . 2 .]" 1
146 1 27 VAL H 1 32 LEU QD 2.000 . 8.900 4.215 3.510 4.872 . 0 0 "[ . 1 . 2 .]" 1
147 1 27 VAL HA 1 32 LEU QD 2.000 . 6.900 4.270 3.893 4.937 . 0 0 "[ . 1 . 2 .]" 1
148 1 27 VAL HA 1 32 LEU HB3 2.000 . 5.000 4.499 3.560 4.986 . 0 0 "[ . 1 . 2 .]" 1
149 1 17 VAL MG2 1 27 VAL MG1 2.000 . 7.000 3.936 3.338 4.384 . 0 0 "[ . 1 . 2 .]" 1
150 1 17 VAL MG1 1 27 VAL MG1 2.000 . 6.000 2.474 1.960 2.723 . 0 0 "[ . 1 . 2 .]" 1
151 1 17 VAL MG1 1 27 VAL MG2 2.000 . 7.000 4.575 3.733 4.892 . 0 0 "[ . 1 . 2 .]" 1
152 1 27 VAL HB 1 32 LEU QD 2.000 . 8.900 5.496 4.461 5.982 . 0 0 "[ . 1 . 2 .]" 1
153 1 27 VAL MG1 1 32 LEU QD 2.000 . 8.400 3.214 1.887 3.598 . 0 0 "[ . 1 . 2 .]" 1
154 1 26 SER QB 1 28 THR H 2.000 . 6.000 4.516 4.039 5.180 . 0 0 "[ . 1 . 2 .]" 1
155 1 27 VAL HB 1 28 THR H 2.000 . 5.000 4.115 3.795 4.496 . 0 0 "[ . 1 . 2 .]" 1
156 1 27 VAL MG1 1 28 THR H 2.000 . 6.500 4.052 3.838 4.274 . 0 0 "[ . 1 . 2 .]" 1
157 1 27 VAL MG2 1 28 THR H 2.000 . 4.500 2.427 1.915 3.507 . 0 0 "[ . 1 . 2 .]" 1
158 1 28 THR HG1 1 29 GLY H 2.000 . 6.500 3.385 2.074 4.133 . 0 0 "[ . 1 . 2 .]" 1
159 1 27 VAL HA 1 29 GLY H 2.000 . 5.000 4.376 4.007 5.016 0.016 13 0 "[ . 1 . 2 .]" 1
160 1 30 ASN H 1 31 ALA MB 2.000 . 6.500 3.873 3.262 4.445 . 0 0 "[ . 1 . 2 .]" 1
161 1 30 ASN HA 1 33 TRP HB2 2.000 . 5.000 2.923 2.547 3.352 . 0 0 "[ . 1 . 2 .]" 1
162 1 30 ASN HA 1 50 LYS QB 2.000 . 6.000 4.330 3.923 4.823 . 0 0 "[ . 1 . 2 .]" 1
163 1 30 ASN QD 1 47 GLN QG 2.000 . 7.000 5.081 4.454 5.611 . 0 0 "[ . 1 . 2 .]" 1
164 1 31 ALA H 1 32 LEU HB3 2.000 . 5.000 5.031 4.934 5.074 0.074 12 0 "[ . 1 . 2 .]" 1
165 1 30 ASN HB3 1 31 ALA H 2.000 . 5.000 4.476 4.392 4.515 . 0 0 "[ . 1 . 2 .]" 1
166 1 30 ASN HB2 1 31 ALA H 2.000 . 5.000 3.986 3.882 4.138 . 0 0 "[ . 1 . 2 .]" 1
167 1 31 ALA HA 1 34 LYS HG2 2.000 . 5.000 5.025 4.868 5.111 0.111 20 0 "[ . 1 . 2 .]" 1
168 1 30 ASN HB3 1 31 ALA HA 2.000 . 5.000 4.896 4.728 4.970 . 0 0 "[ . 1 . 2 .]" 1
169 1 30 ASN HB2 1 31 ALA HA 2.000 . 5.000 4.656 4.574 4.776 . 0 0 "[ . 1 . 2 .]" 1
170 1 31 ALA MB 1 32 LEU H 2.000 . 4.500 2.194 1.959 2.593 . 0 0 "[ . 1 . 2 .]" 1
171 1 32 LEU QD 1 33 TRP H 2.000 . 8.900 4.120 3.998 4.209 . 0 0 "[ . 1 . 2 .]" 1
172 1 32 LEU HB3 1 33 TRP H 2.000 . 3.000 2.894 2.679 3.053 0.053 5 0 "[ . 1 . 2 .]" 1
173 1 32 LEU HG 1 33 TRP H 2.000 . 5.000 4.674 4.537 4.869 . 0 0 "[ . 1 . 2 .]" 1
174 1 32 LEU HB2 1 33 TRP H 2.000 . 4.000 3.564 3.364 3.725 . 0 0 "[ . 1 . 2 .]" 1
175 1 31 ALA MB 1 33 TRP H 2.000 . 6.500 4.139 3.974 4.409 . 0 0 "[ . 1 . 2 .]" 1
176 1 32 LEU QD 1 33 TRP HH2 2.000 . 8.900 5.018 4.532 5.500 . 0 0 "[ . 1 . 2 .]" 1
177 1 17 VAL MG2 1 33 TRP HH2 2.000 . 4.500 2.522 2.178 2.953 . 0 0 "[ . 1 . 2 .]" 1
178 1 17 VAL MG1 1 33 TRP HH2 2.000 . 6.500 2.479 1.970 2.962 . 0 0 "[ . 1 . 2 .]" 1
179 1 27 VAL MG1 1 33 TRP HH2 2.000 . 6.500 3.841 3.358 4.232 . 0 0 "[ . 1 . 2 .]" 1
180 1 13 ILE MG 1 33 TRP HH2 2.000 . 6.000 3.876 3.347 4.462 . 0 0 "[ . 1 . 2 .]" 1
181 1 27 VAL HB 1 33 TRP HH2 2.000 . 5.000 4.884 4.422 5.074 0.074 19 0 "[ . 1 . 2 .]" 1
182 1 33 TRP HH2 1 53 TYR HB3 2.000 . 5.000 3.563 3.120 3.875 . 0 0 "[ . 1 . 2 .]" 1
183 1 33 TRP HH2 1 53 TYR HB2 2.000 . 4.000 2.712 2.373 2.995 . 0 0 "[ . 1 . 2 .]" 1
184 1 33 TRP HH2 1 53 TYR HA 2.000 . 5.000 4.547 4.119 4.794 . 0 0 "[ . 1 . 2 .]" 1
185 1 33 TRP HH2 1 53 TYR QD 2.000 . 7.000 2.885 2.653 3.223 . 0 0 "[ . 1 . 2 .]" 1
186 1 33 TRP HH2 1 53 TYR H 2.000 . 5.000 4.879 4.569 5.057 0.057 1 0 "[ . 1 . 2 .]" 1
187 1 32 LEU QD 1 33 TRP HZ3 2.000 . 8.900 5.290 4.656 5.962 . 0 0 "[ . 1 . 2 .]" 1
188 1 17 VAL MG2 1 33 TRP HZ3 2.000 . 5.500 2.377 2.053 2.610 . 0 0 "[ . 1 . 2 .]" 1
189 1 13 ILE QG 1 33 TRP HZ3 2.000 . 7.900 2.485 2.018 2.899 . 0 0 "[ . 1 . 2 .]" 1
190 1 33 TRP HZ3 1 53 TYR HB3 2.000 . 5.000 4.888 4.130 5.054 0.054 8 0 "[ . 1 . 2 .]" 1
191 1 33 TRP HZ3 1 53 TYR HB2 2.000 . 5.000 3.440 2.987 3.695 . 0 0 "[ . 1 . 2 .]" 1
192 1 33 TRP HZ2 1 53 TYR QE 2.000 . 7.000 3.875 3.043 4.626 . 0 0 "[ . 1 . 2 .]" 1
193 1 33 TRP HZ2 1 53 TYR QD 2.000 . 7.000 3.157 2.187 4.037 . 0 0 "[ . 1 . 2 .]" 1
194 1 32 LEU QD 1 33 TRP HZ2 2.000 . 7.000 4.557 4.378 4.796 . 0 0 "[ . 1 . 2 .]" 1
195 1 32 LEU HB3 1 33 TRP HZ2 2.000 . 5.000 5.054 5.007 5.082 0.082 23 0 "[ . 1 . 2 .]" 1
196 1 17 VAL MG2 1 33 TRP HZ2 2.000 . 5.500 3.835 3.459 4.194 . 0 0 "[ . 1 . 2 .]" 1
197 1 17 VAL MG1 1 33 TRP HZ2 2.000 . 6.500 3.272 2.556 4.055 . 0 0 "[ . 1 . 2 .]" 1
198 1 27 VAL MG1 1 33 TRP HZ2 2.000 . 5.500 2.605 2.126 3.270 . 0 0 "[ . 1 . 2 .]" 1
199 1 27 VAL MG2 1 33 TRP HZ2 2.000 . 6.500 4.295 3.679 4.522 . 0 0 "[ . 1 . 2 .]" 1
200 1 27 VAL HB 1 33 TRP HZ2 2.000 . 5.000 2.962 2.349 3.285 . 0 0 "[ . 1 . 2 .]" 1
201 1 33 TRP HZ2 1 53 TYR HB3 2.000 . 5.000 3.890 2.939 4.361 . 0 0 "[ . 1 . 2 .]" 1
202 1 33 TRP HZ2 1 53 TYR HB2 2.000 . 5.000 4.069 3.284 4.564 . 0 0 "[ . 1 . 2 .]" 1
203 1 32 LEU QD 1 33 TRP HE3 2.000 . 8.900 5.175 4.729 5.764 . 0 0 "[ . 1 . 2 .]" 1
204 1 17 VAL MG2 1 33 TRP HE3 2.000 . 6.500 3.672 3.397 3.868 . 0 0 "[ . 1 . 2 .]" 1
205 1 30 ASN HA 1 33 TRP HE1 2.000 . 5.000 4.164 3.746 4.436 . 0 0 "[ . 1 . 2 .]" 1
206 1 27 VAL HA 1 33 TRP HE1 2.000 . 4.000 2.068 1.936 2.687 . 0 0 "[ . 1 . 2 .]" 1
207 1 27 VAL HB 1 33 TRP HE1 2.000 . 5.000 4.061 2.096 4.690 . 0 0 "[ . 1 . 2 .]" 1
208 1 33 TRP HE1 1 50 LYS QB 2.000 . 6.000 4.653 3.962 5.251 . 0 0 "[ . 1 . 2 .]" 1
209 1 27 VAL MG2 1 33 TRP HE1 2.000 . 6.500 4.503 3.737 4.780 . 0 0 "[ . 1 . 2 .]" 1
210 1 27 VAL MG1 1 33 TRP HE1 2.000 . 6.500 3.774 2.224 4.573 . 0 0 "[ . 1 . 2 .]" 1
211 1 33 TRP HE1 1 50 LYS QG 2.000 . 6.000 3.274 2.296 5.032 . 0 0 "[ . 1 . 2 .]" 1
212 1 33 TRP HD1 1 50 LYS QG 2.000 . 6.000 3.331 2.191 4.838 . 0 0 "[ . 1 . 2 .]" 1
213 1 33 TRP HD1 1 50 LYS QB 2.000 . 6.000 4.030 3.084 4.674 . 0 0 "[ . 1 . 2 .]" 1
214 1 33 TRP HD1 1 46 TRP HZ3 2.000 . 5.000 4.385 3.685 4.936 . 0 0 "[ . 1 . 2 .]" 1
215 1 33 TRP HD1 1 46 TRP HE3 2.000 . 5.000 4.092 3.629 4.317 . 0 0 "[ . 1 . 2 .]" 1
216 1 32 LEU HB3 1 33 TRP HD1 2.000 . 5.000 4.178 3.870 4.634 . 0 0 "[ . 1 . 2 .]" 1
217 1 32 LEU QD 1 33 TRP HD1 2.000 . 8.900 5.081 4.875 5.472 . 0 0 "[ . 1 . 2 .]" 1
218 1 33 TRP HA 1 36 MET QB 2.000 . 6.000 2.839 2.560 4.228 . 0 0 "[ . 1 . 2 .]" 1
219 1 17 VAL HB 1 33 TRP HH2 2.000 . 5.000 4.366 3.955 4.802 . 0 0 "[ . 1 . 2 .]" 1
220 1 17 VAL HB 1 33 TRP HZ3 2.000 . 5.000 4.901 4.522 5.052 0.052 1 0 "[ . 1 . 2 .]" 1
221 1 33 TRP HA 1 36 MET QG 2.000 . 6.000 4.322 2.234 4.965 . 0 0 "[ . 1 . 2 .]" 1
222 1 23 SER HB3 1 26 SER H 2.000 . 5.000 5.020 4.924 5.072 0.072 7 0 "[ . 1 . 2 .]" 1
223 1 26 SER H 1 27 VAL MG1 2.000 . 6.500 4.258 3.835 4.735 . 0 0 "[ . 1 . 2 .]" 1
224 1 26 SER H 1 27 VAL MG2 2.000 . 6.500 3.802 3.529 4.307 . 0 0 "[ . 1 . 2 .]" 1
225 1 26 SER H 1 32 LEU HB2 2.000 . 5.000 5.040 4.953 5.096 0.096 11 0 "[ . 1 . 2 .]" 1
226 1 26 SER HA 1 32 LEU QD 2.000 . 7.900 3.282 2.189 3.889 . 0 0 "[ . 1 . 2 .]" 1
227 1 26 SER QB 1 32 LEU QD 2.000 . 8.900 1.948 1.697 2.408 0.103 17 0 "[ . 1 . 2 .]" 1
228 1 26 SER QB 1 32 LEU HB2 2.000 . 5.000 2.282 1.953 3.061 . 0 0 "[ . 1 . 2 .]" 1
229 1 26 SER QB 1 27 VAL MG1 2.000 . 7.500 2.938 2.379 3.663 . 0 0 "[ . 1 . 2 .]" 1
230 1 35 ALA MB 1 36 MET H 2.000 . 5.500 2.478 2.032 2.661 . 0 0 "[ . 1 . 2 .]" 1
231 1 36 MET QB 1 37 GLU H 2.000 . 4.000 2.506 2.211 3.619 . 0 0 "[ . 1 . 2 .]" 1
232 1 36 MET QG 1 37 GLU H 2.000 . 5.000 3.916 2.065 4.343 . 0 0 "[ . 1 . 2 .]" 1
233 1 37 GLU H 1 49 LEU QD 2.000 . 8.900 4.188 3.437 5.694 . 0 0 "[ . 1 . 2 .]" 1
234 1 37 GLU H 1 46 TRP HB3 2.000 . 5.000 3.773 3.195 4.328 . 0 0 "[ . 1 . 2 .]" 1
235 1 37 GLU HA 1 49 LEU QD 2.000 . 7.900 4.339 3.476 5.562 . 0 0 "[ . 1 . 2 .]" 1
236 1 37 GLU QG 1 45 SER HA 2.000 . 5.000 2.453 1.923 3.716 . 0 0 "[ . 1 . 2 .]" 1
237 1 37 GLU QG 1 49 LEU QD 2.000 . 9.900 4.479 3.101 5.582 . 0 0 "[ . 1 . 2 .]" 1
238 1 37 GLU HB3 1 38 LYS H 2.000 . 4.000 2.693 2.369 2.955 . 0 0 "[ . 1 . 2 .]" 1
239 1 37 GLU HB2 1 38 LYS H 2.000 . 5.000 3.828 3.653 4.069 . 0 0 "[ . 1 . 2 .]" 1
240 1 37 GLU HB3 1 38 LYS HA 2.000 . 5.000 4.340 4.138 4.594 . 0 0 "[ . 1 . 2 .]" 1
241 1 38 LYS QB 1 39 SER H 2.000 . 5.000 3.011 2.122 3.821 . 0 0 "[ . 1 . 2 .]" 1
242 1 38 LYS QG 1 39 SER H 2.000 . 6.000 4.283 2.727 4.646 . 0 0 "[ . 1 . 2 .]" 1
243 1 36 MET HA 1 39 SER QB 2.000 . 5.000 3.454 2.011 4.371 . 0 0 "[ . 1 . 2 .]" 1
244 1 22 ARG QB 1 23 SER H 2.000 . 5.000 3.396 2.403 4.022 . 0 0 "[ . 1 . 2 .]" 1
245 1 21 ALA MB 1 23 SER H 2.000 . 6.500 3.979 2.540 5.073 . 0 0 "[ . 1 . 2 .]" 1
246 1 23 SER HA 1 24 PRO QD 2.000 . 5.000 2.172 2.064 2.244 . 0 0 "[ . 1 . 2 .]" 1
247 1 23 SER HA 1 24 PRO QG 2.000 . 6.000 4.107 4.003 4.184 . 0 0 "[ . 1 . 2 .]" 1
248 1 23 SER HA 1 24 PRO QB 2.000 . 6.000 4.638 4.601 4.668 . 0 0 "[ . 1 . 2 .]" 1
249 1 24 PRO HA 1 27 VAL MG2 2.000 . 6.500 3.174 1.980 4.456 . 0 0 "[ . 1 . 2 .]" 1
250 1 40 SER QB 1 41 LEU H 2.000 . 6.000 3.177 2.034 4.068 . 0 0 "[ . 1 . 2 .]" 1
251 1 41 LEU H 1 42 THR HG1 2.000 . 6.500 4.528 3.267 5.221 . 0 0 "[ . 1 . 2 .]" 1
252 1 41 LEU HB2 1 42 THR H 2.000 . 5.000 3.794 3.355 4.505 . 0 0 "[ . 1 . 2 .]" 1
253 1 42 THR HB 1 43 GLN H 2.000 . 3.000 2.176 1.938 3.038 0.038 3 0 "[ . 1 . 2 .]" 1
254 1 42 THR HG1 1 43 GLN H 2.000 . 4.500 2.782 1.929 3.687 . 0 0 "[ . 1 . 2 .]" 1
255 1 42 THR HB 1 44 HIS H 2.000 . 5.000 4.854 4.397 5.019 0.019 17 0 "[ . 1 . 2 .]" 1
256 1 43 GLN QG 1 44 HIS H 2.000 . 6.000 4.168 3.415 4.669 . 0 0 "[ . 1 . 2 .]" 1
257 1 43 GLN QB 1 44 HIS H 2.000 . 6.000 3.872 3.693 4.021 . 0 0 "[ . 1 . 2 .]" 1
258 1 42 THR HG1 1 44 HIS H 2.000 . 6.500 4.520 3.426 5.171 . 0 0 "[ . 1 . 2 .]" 1
259 1 44 HIS H 1 49 LEU QD 2.000 . 8.900 4.538 3.232 5.707 . 0 0 "[ . 1 . 2 .]" 1
260 1 5 PHE QE 1 44 HIS HE1 2.000 . 7.000 3.235 2.484 4.216 . 0 0 "[ . 1 . 2 .]" 1
261 1 4 ALA H 1 44 HIS HE1 2.000 . 5.000 4.150 2.462 5.064 0.064 18 0 "[ . 1 . 2 .]" 1
262 1 44 HIS HE1 1 45 SER H 2.000 . 5.000 5.087 5.045 5.158 0.158 2 0 "[ . 1 . 2 .]" 1
263 1 3 ILE HA 1 44 HIS HE1 2.000 . 5.000 4.546 2.452 5.067 0.067 21 0 "[ . 1 . 2 .]" 1
264 1 4 ALA HA 1 44 HIS HE1 2.000 . 5.000 4.659 3.516 5.065 0.065 14 0 "[ . 1 . 2 .]" 1
265 1 3 ILE MD 1 44 HIS HE1 2.000 . 6.500 3.271 1.889 5.388 . 0 0 "[ . 1 . 2 .]" 1
266 1 4 ALA MB 1 44 HIS HE1 2.000 . 6.500 4.797 2.069 5.506 . 0 0 "[ . 1 . 2 .]" 1
267 1 3 ILE HB 1 44 HIS HE1 2.000 . 5.000 4.111 2.072 5.113 0.113 2 0 "[ . 1 . 2 .]" 1
268 1 42 THR HB 1 44 HIS HD2 2.000 . 4.000 3.476 2.820 4.053 0.053 2 0 "[ . 1 . 2 .]" 1
269 1 43 GLN HA 1 44 HIS HD2 2.000 . 5.000 5.048 4.970 5.100 0.100 5 0 "[ . 1 . 2 .]" 1
270 1 9 ASP HB3 1 44 HIS HD2 2.000 . 5.000 4.863 4.085 5.046 0.046 9 0 "[ . 1 . 2 .]" 1
271 1 43 GLN QB 1 44 HIS HD2 2.000 . 6.000 4.142 3.437 5.443 . 0 0 "[ . 1 . 2 .]" 1
272 1 42 THR HG1 1 44 HIS HD2 2.000 . 6.500 3.183 2.135 4.637 . 0 0 "[ . 1 . 2 .]" 1
273 1 3 ILE MD 1 44 HIS HD2 2.000 . 6.500 4.459 3.348 5.382 . 0 0 "[ . 1 . 2 .]" 1
274 1 44 HIS HD2 1 49 LEU QD 2.000 . 8.900 4.707 3.474 5.646 . 0 0 "[ . 1 . 2 .]" 1
275 1 43 GLN H 1 44 HIS HD2 2.000 . 5.000 3.612 3.210 4.831 . 0 0 "[ . 1 . 2 .]" 1
276 1 44 HIS HB3 1 49 LEU QD 2.000 . 7.900 2.499 1.802 3.737 . 0 0 "[ . 1 . 2 .]" 1
277 1 42 THR HG1 1 44 HIS HB2 2.000 . 6.500 3.484 2.455 4.714 . 0 0 "[ . 1 . 2 .]" 1
278 1 44 HIS HB3 1 49 LEU QB 2.000 . 5.000 4.268 3.380 4.618 . 0 0 "[ . 1 . 2 .]" 1
279 1 44 HIS HB2 1 45 SER H 2.000 . 5.000 4.009 3.748 4.240 . 0 0 "[ . 1 . 2 .]" 1
280 1 44 HIS HB3 1 45 SER H 2.000 . 4.000 2.679 2.272 3.065 . 0 0 "[ . 1 . 2 .]" 1
281 1 45 SER HB3 1 46 TRP H 2.000 . 5.000 3.613 3.195 4.645 . 0 0 "[ . 1 . 2 .]" 1
282 1 45 SER HB2 1 46 TRP H 2.000 . 4.000 2.703 1.971 4.127 0.127 11 0 "[ . 1 . 2 .]" 1
283 1 34 LYS HA 1 46 TRP H 2.000 . 5.000 4.457 4.068 5.045 0.045 11 0 "[ . 1 . 2 .]" 1
284 1 37 GLU QG 1 46 TRP H 2.000 . 6.000 2.887 2.164 4.573 . 0 0 "[ . 1 . 2 .]" 1
285 1 37 GLU HB3 1 46 TRP H 2.000 . 5.000 4.323 3.345 4.969 . 0 0 "[ . 1 . 2 .]" 1
286 1 37 GLU HB2 1 46 TRP H 2.000 . 4.000 3.185 2.005 3.926 . 0 0 "[ . 1 . 2 .]" 1
287 1 46 TRP H 1 49 LEU QD 2.000 . 8.900 4.150 1.953 5.371 . 0 0 "[ . 1 . 2 .]" 1
288 1 34 LYS HG3 1 46 TRP HE1 2.000 . 5.000 4.659 4.168 5.011 0.011 18 0 "[ . 1 . 2 .]" 1
289 1 34 LYS HG2 1 46 TRP HE1 2.000 . 5.000 4.127 3.622 5.049 0.049 14 0 "[ . 1 . 2 .]" 1
290 1 34 LYS QE 1 46 TRP HE1 2.000 . 6.000 2.719 1.979 4.906 . 0 0 "[ . 1 . 2 .]" 1
291 1 46 TRP HZ3 1 47 GLN QG 2.000 . 6.000 3.952 3.245 4.678 . 0 0 "[ . 1 . 2 .]" 1
292 1 46 TRP HZ3 1 50 LYS QB 2.000 . 5.000 2.645 2.483 2.825 . 0 0 "[ . 1 . 2 .]" 1
293 1 46 TRP HE1 1 47 GLN QE 2.000 . 7.000 4.518 2.680 6.201 . 0 0 "[ . 1 . 2 .]" 1
294 1 46 TRP HZ3 1 47 GLN HA 2.000 . 5.000 3.369 2.923 3.924 . 0 0 "[ . 1 . 2 .]" 1
295 1 33 TRP HB2 1 46 TRP HZ3 2.000 . 5.000 4.128 3.781 4.360 . 0 0 "[ . 1 . 2 .]" 1
296 1 30 ASN HB3 1 46 TRP HZ3 2.000 . 4.000 3.413 2.870 3.904 . 0 0 "[ . 1 . 2 .]" 1
297 1 30 ASN HB2 1 46 TRP HZ3 2.000 . 5.000 4.658 4.221 5.003 0.003 6 0 "[ . 1 . 2 .]" 1
298 1 46 TRP HH2 1 47 GLN QG 2.000 . 6.000 3.330 2.711 3.934 . 0 0 "[ . 1 . 2 .]" 1
299 1 46 TRP HH2 1 50 LYS QB 2.000 . 5.000 4.513 4.435 4.574 . 0 0 "[ . 1 . 2 .]" 1
300 1 34 LYS QE 1 46 TRP HH2 2.000 . 6.000 4.845 4.008 5.365 . 0 0 "[ . 1 . 2 .]" 1
301 1 46 TRP HE3 1 47 GLN QG 2.000 . 6.000 4.448 4.143 4.998 . 0 0 "[ . 1 . 2 .]" 1
302 1 46 TRP HE3 1 49 LEU QD 2.000 . 8.900 4.838 3.658 5.495 . 0 0 "[ . 1 . 2 .]" 1
303 1 46 TRP HE3 1 49 LEU HG 2.000 . 6.000 5.748 4.429 6.106 0.106 13 0 "[ . 1 . 2 .]" 1
304 1 30 ASN HB3 1 46 TRP HE3 2.000 . 5.000 3.833 3.359 4.322 . 0 0 "[ . 1 . 2 .]" 1
305 1 46 TRP HE3 1 47 GLN HA 2.000 . 4.000 3.164 2.786 3.605 . 0 0 "[ . 1 . 2 .]" 1
306 1 33 TRP H 1 46 TRP HE3 2.000 . 5.000 4.928 4.664 5.049 0.049 14 0 "[ . 1 . 2 .]" 1
307 1 34 LYS HA 1 46 TRP HE3 2.000 . 5.000 4.875 4.587 5.052 0.052 14 0 "[ . 1 . 2 .]" 1
308 1 33 TRP HB3 1 46 TRP HE3 2.000 . 4.000 2.531 2.089 2.889 . 0 0 "[ . 1 . 2 .]" 1
309 1 33 TRP HZ3 1 49 LEU HA 2.000 . 5.000 4.636 3.975 5.049 0.049 2 0 "[ . 1 . 2 .]" 1
310 1 46 TRP HZ2 1 47 GLN QG 2.000 . 6.000 3.252 2.668 4.398 . 0 0 "[ . 1 . 2 .]" 1
311 1 33 TRP HE3 1 49 LEU QD 2.000 . 6.900 2.460 1.799 3.505 0.001 5 0 "[ . 1 . 2 .]" 1
312 1 34 LYS QE 1 46 TRP HZ2 2.000 . 6.000 3.560 2.581 4.644 . 0 0 "[ . 1 . 2 .]" 1
313 1 33 TRP HE3 1 49 LEU QB 2.000 . 4.000 2.607 1.896 3.311 . 0 0 "[ . 1 . 2 .]" 1
314 1 45 SER HA 1 46 TRP HD1 2.000 . 5.000 4.513 3.894 4.815 . 0 0 "[ . 1 . 2 .]" 1
315 1 45 SER HB3 1 46 TRP HD1 2.000 . 5.000 5.045 5.011 5.094 0.094 11 0 "[ . 1 . 2 .]" 1
316 1 34 LYS HA 1 46 TRP HD1 2.000 . 5.000 3.621 3.209 3.913 . 0 0 "[ . 1 . 2 .]" 1
317 1 37 GLU HB3 1 46 TRP HD1 2.000 . 5.000 4.433 3.537 5.012 0.012 6 0 "[ . 1 . 2 .]" 1
318 1 37 GLU HB2 1 46 TRP HD1 2.000 . 5.000 4.213 3.495 5.031 0.031 11 0 "[ . 1 . 2 .]" 1
319 1 34 LYS QE 1 46 TRP HD1 2.000 . 6.000 3.544 2.530 5.337 . 0 0 "[ . 1 . 2 .]" 1
320 1 34 LYS HG3 1 46 TRP HD1 2.000 . 5.000 4.512 2.941 5.044 0.044 15 0 "[ . 1 . 2 .]" 1
321 1 46 TRP HZ2 1 47 GLN QE 2.000 . 6.000 3.979 2.359 5.361 . 0 0 "[ . 1 . 2 .]" 1
322 1 30 ASN HA 1 46 TRP HZ3 2.000 . 5.000 3.451 2.919 3.936 . 0 0 "[ . 1 . 2 .]" 1
323 1 30 ASN HA 1 46 TRP HE3 2.000 . 5.000 3.726 3.228 4.198 . 0 0 "[ . 1 . 2 .]" 1
324 1 46 TRP HA 1 49 LEU QD 2.000 . 8.900 2.441 1.826 3.732 . 0 0 "[ . 1 . 2 .]" 1
325 1 46 TRP HA 1 49 LEU QB 2.000 . 6.000 2.881 2.037 4.605 . 0 0 "[ . 1 . 2 .]" 1
326 1 37 GLU HB2 1 46 TRP HB3 2.000 . 4.000 2.431 1.937 3.312 . 0 0 "[ . 1 . 2 .]" 1
327 1 37 GLU HB3 1 46 TRP HB3 2.000 . 5.000 3.294 2.626 3.725 . 0 0 "[ . 1 . 2 .]" 1
328 1 37 GLU HB2 1 46 TRP HB2 2.000 . 5.000 3.737 3.155 4.515 . 0 0 "[ . 1 . 2 .]" 1
329 1 37 GLU HB3 1 46 TRP HB2 2.000 . 5.000 4.667 4.130 5.024 0.024 4 0 "[ . 1 . 2 .]" 1
330 1 34 LYS QE 1 46 TRP HB3 2.000 . 6.000 4.803 4.137 5.462 . 0 0 "[ . 1 . 2 .]" 1
331 1 34 LYS QE 1 46 TRP HB2 2.000 . 6.000 4.833 4.450 5.276 . 0 0 "[ . 1 . 2 .]" 1
332 1 34 LYS H 1 46 TRP HB2 2.000 . 3.000 3.041 2.941 3.080 0.080 22 0 "[ . 1 . 2 .]" 1
333 1 47 GLN HA 1 50 LYS QB 2.000 . 6.000 2.785 2.003 3.557 . 0 0 "[ . 1 . 2 .]" 1
334 1 45 SER HB2 1 47 GLN H 2.000 . 3.000 2.651 2.484 2.882 . 0 0 "[ . 1 . 2 .]" 1
335 1 47 GLN HB3 1 48 SER H 2.000 . 4.000 2.498 1.985 2.985 . 0 0 "[ . 1 . 2 .]" 1
336 1 47 GLN HB2 1 48 SER H 2.000 . 5.000 3.090 2.144 3.695 . 0 0 "[ . 1 . 2 .]" 1
337 1 48 SER HA 1 51 ASP QB 2.000 . 4.000 2.854 2.247 3.449 . 0 0 "[ . 1 . 2 .]" 1
338 1 48 SER QB 1 49 LEU H 2.000 . 6.000 2.644 1.951 2.885 . 0 0 "[ . 1 . 2 .]" 1
339 1 49 LEU HA 1 52 ARG QB 2.000 . 6.000 2.878 2.358 3.588 . 0 0 "[ . 1 . 2 .]" 1
340 1 49 LEU QB 1 50 LYS H 2.000 . 5.000 2.667 2.134 3.659 . 0 0 "[ . 1 . 2 .]" 1
341 1 33 TRP HB3 1 50 LYS H 2.000 . 5.000 3.826 3.377 4.442 . 0 0 "[ . 1 . 2 .]" 1
342 1 51 ASP HA 1 54 LEU QD 2.000 . 8.900 3.438 2.115 4.308 . 0 0 "[ . 1 . 2 .]" 1
343 1 51 ASP HA 1 54 LEU QB 2.000 . 5.000 3.201 2.847 4.401 . 0 0 "[ . 1 . 2 .]" 1
344 1 51 ASP QB 1 55 LYS QD 2.000 . 7.000 4.971 3.325 5.513 . 0 0 "[ . 1 . 2 .]" 1
345 1 51 ASP HB3 1 52 ARG H 2.000 . 4.000 2.549 2.184 2.896 . 0 0 "[ . 1 . 2 .]" 1
346 1 5 PHE HB3 1 52 ARG HE 2.000 . 5.000 4.284 2.692 5.027 0.027 18 0 "[ . 1 . 2 .]" 1
347 1 5 PHE HB2 1 52 ARG HE 2.000 . 5.000 4.384 3.046 5.017 0.017 24 0 "[ . 1 . 2 .]" 1
348 1 52 ARG HE 1 57 LEU HG 2.000 . 5.000 4.661 3.938 5.030 0.030 21 0 "[ . 1 . 2 .]" 1
349 1 52 ARG HE 1 57 LEU QD 2.000 . 8.900 2.998 2.156 4.261 . 0 0 "[ . 1 . 2 .]" 1
350 1 52 ARG HE 1 56 HIS HD2 2.000 . 5.000 4.520 4.107 4.850 . 0 0 "[ . 1 . 2 .]" 1
351 1 52 ARG QB 1 53 TYR H 2.000 . 4.000 2.680 2.538 2.811 . 0 0 "[ . 1 . 2 .]" 1
352 1 13 ILE MG 1 53 TYR H 2.000 . 7.900 4.848 4.055 5.445 . 0 0 "[ . 1 . 2 .]" 1
353 1 53 TYR H 1 54 LEU QB 2.000 . 6.000 4.627 4.463 5.191 . 0 0 "[ . 1 . 2 .]" 1
354 1 52 ARG QD 1 53 TYR H 2.000 . 6.000 4.208 3.899 4.383 . 0 0 "[ . 1 . 2 .]" 1
355 1 52 ARG QG 1 53 TYR H 2.000 . 6.000 4.054 3.071 4.585 . 0 0 "[ . 1 . 2 .]" 1
356 1 53 TYR QD 1 54 LEU HA 2.000 . 6.000 4.242 3.624 4.653 . 0 0 "[ . 1 . 2 .]" 1
357 1 53 TYR QD 1 54 LEU HG 2.000 . 6.000 3.120 2.659 4.499 . 0 0 "[ . 1 . 2 .]" 1
358 1 53 TYR QD 1 57 LEU QB 2.000 . 7.000 2.881 1.995 3.394 . 0 0 "[ . 1 . 2 .]" 1
359 1 53 TYR QD 1 57 LEU HG 2.000 . 6.000 4.806 4.259 5.404 . 0 0 "[ . 1 . 2 .]" 1
360 1 13 ILE QG 1 53 TYR QD 2.000 . 9.900 3.552 2.885 4.791 . 0 0 "[ . 1 . 2 .]" 1
361 1 53 TYR QD 1 54 LEU QD 2.000 . 9.900 3.341 2.482 3.909 . 0 0 "[ . 1 . 2 .]" 1
362 1 17 VAL MG1 1 53 TYR QD 2.000 . 7.500 3.575 3.184 4.025 . 0 0 "[ . 1 . 2 .]" 1
363 1 17 VAL MG2 1 53 TYR QD 2.000 . 8.500 3.749 3.211 4.464 . 0 0 "[ . 1 . 2 .]" 1
364 1 53 TYR QD 1 58 ARG HA 2.000 . 7.000 4.649 3.532 5.607 . 0 0 "[ . 1 . 2 .]" 1
365 1 17 VAL MG2 1 53 TYR QE 2.000 . 8.500 3.844 3.200 4.858 . 0 0 "[ . 1 . 2 .]" 1
366 1 17 VAL MG1 1 53 TYR QE 2.000 . 7.500 2.741 2.185 3.298 . 0 0 "[ . 1 . 2 .]" 1
367 1 53 TYR QE 1 54 LEU QD 2.000 . 9.900 4.484 3.494 5.219 . 0 0 "[ . 1 . 2 .]" 1
368 1 27 VAL MG1 1 53 TYR QE 2.000 . 7.500 2.779 2.024 4.262 . 0 0 "[ . 1 . 2 .]" 1
369 1 27 VAL MG2 1 53 TYR QE 2.000 . 6.500 3.572 3.040 4.041 . 0 0 "[ . 1 . 2 .]" 1
370 1 14 LEU MD1 1 53 TYR QE 2.000 . 7.500 3.274 2.297 4.254 . 0 0 "[ . 1 . 2 .]" 1
371 1 53 TYR QE 1 57 LEU HG 2.000 . 7.000 6.090 5.831 6.408 . 0 0 "[ . 1 . 2 .]" 1
372 1 53 TYR QE 1 58 ARG QB 2.000 . 8.000 3.693 2.509 5.471 . 0 0 "[ . 1 . 2 .]" 1
373 1 53 TYR QE 1 54 LEU HG 2.000 . 7.000 5.147 4.569 6.342 . 0 0 "[ . 1 . 2 .]" 1
374 1 27 VAL HB 1 53 TYR QE 2.000 . 6.000 2.889 1.999 4.872 . 0 0 "[ . 1 . 2 .]" 1
375 1 53 TYR QE 1 54 LEU HA 2.000 . 7.000 5.661 4.793 6.261 . 0 0 "[ . 1 . 2 .]" 1
376 1 53 TYR QE 1 58 ARG HA 2.000 . 7.000 3.846 2.881 5.110 . 0 0 "[ . 1 . 2 .]" 1
377 1 14 LEU HA 1 53 TYR QE 2.000 . 7.000 3.879 2.285 5.088 . 0 0 "[ . 1 . 2 .]" 1
378 1 53 TYR HA 1 57 LEU HG 2.000 . 5.000 3.400 3.160 3.685 . 0 0 "[ . 1 . 2 .]" 1
379 1 53 TYR HA 1 57 LEU QD 2.000 . 8.900 1.941 1.874 2.025 . 0 0 "[ . 1 . 2 .]" 1
380 1 53 TYR HA 1 57 LEU QB 2.000 . 5.000 1.952 1.899 2.035 . 0 0 "[ . 1 . 2 .]" 1
381 1 49 LEU QD 1 53 TYR HB2 2.000 . 7.900 4.994 3.749 5.795 . 0 0 "[ . 1 . 2 .]" 1
382 1 53 TYR HB2 1 54 LEU HG 2.000 . 5.000 4.732 4.303 5.068 0.068 20 0 "[ . 1 . 2 .]" 1
383 1 17 VAL MG2 1 53 TYR HB2 2.000 . 6.500 4.401 3.811 5.024 . 0 0 "[ . 1 . 2 .]" 1
384 1 50 LYS QD 1 53 TYR H 2.000 . 6.000 4.974 4.687 5.404 . 0 0 "[ . 1 . 2 .]" 1
385 1 14 LEU MD1 1 53 TYR QD 2.000 . 8.500 4.639 3.852 5.360 . 0 0 "[ . 1 . 2 .]" 1
386 1 34 LYS HG3 1 35 ALA H 2.000 . 5.000 4.843 4.572 5.033 0.033 23 0 "[ . 1 . 2 .]" 1
387 1 34 LYS HG2 1 35 ALA H 2.000 . 5.000 4.772 4.494 5.083 0.083 17 0 "[ . 1 . 2 .]" 1
388 1 35 ALA HA 1 38 LYS QB 2.000 . 5.000 3.024 2.554 4.211 . 0 0 "[ . 1 . 2 .]" 1
389 1 16 TYR QE 1 35 ALA H 2.000 . 7.000 5.548 5.150 5.918 . 0 0 "[ . 1 . 2 .]" 1
390 1 54 LEU QD 1 55 LYS H 2.000 . 8.900 4.169 2.479 4.453 . 0 0 "[ . 1 . 2 .]" 1
391 1 56 HIS H 1 57 LEU HG 2.000 . 5.000 2.965 2.759 3.600 . 0 0 "[ . 1 . 2 .]" 1
392 1 55 LYS HB3 1 56 HIS H 2.000 . 5.000 2.976 2.644 3.357 . 0 0 "[ . 1 . 2 .]" 1
393 1 55 LYS HB2 1 56 HIS H 2.000 . 5.000 2.625 2.431 2.780 . 0 0 "[ . 1 . 2 .]" 1
394 1 56 HIS HD2 1 57 LEU QD 2.000 . 6.900 2.854 2.635 3.268 . 0 0 "[ . 1 . 2 .]" 1
395 1 55 LYS HB3 1 56 HIS HD2 2.000 . 4.000 3.402 3.120 3.893 . 0 0 "[ . 1 . 2 .]" 1
396 1 55 LYS HB2 1 56 HIS HD2 2.000 . 4.000 3.250 2.839 3.821 . 0 0 "[ . 1 . 2 .]" 1
397 1 52 ARG QD 1 56 HIS HD2 2.000 . 5.000 2.331 2.089 2.585 . 0 0 "[ . 1 . 2 .]" 1
398 1 52 ARG HA 1 56 HIS HD2 2.000 . 4.000 3.962 3.699 4.052 0.052 17 0 "[ . 1 . 2 .]" 1
399 1 56 HIS HD2 1 57 LEU HA 2.000 . 5.000 4.295 3.674 4.700 . 0 0 "[ . 1 . 2 .]" 1
400 1 55 LYS H 1 56 HIS HD2 2.000 . 5.000 4.315 3.965 4.825 . 0 0 "[ . 1 . 2 .]" 1
401 1 55 LYS HB3 1 56 HIS HE1 2.000 . 5.000 4.626 3.138 5.035 0.035 17 0 "[ . 1 . 2 .]" 1
402 1 56 HIS HD2 1 57 LEU H 2.000 . 5.000 3.484 2.762 3.960 . 0 0 "[ . 1 . 2 .]" 1
403 1 56 HIS HB3 1 57 LEU QD 2.000 . 8.900 5.117 4.745 5.784 . 0 0 "[ . 1 . 2 .]" 1
404 1 56 HIS HB2 1 57 LEU QD 2.000 . 8.900 4.254 3.463 5.004 . 0 0 "[ . 1 . 2 .]" 1
405 1 52 ARG QD 1 56 HIS HB3 2.000 . 6.000 5.333 5.169 5.522 . 0 0 "[ . 1 . 2 .]" 1
406 1 52 ARG QD 1 56 HIS HB2 2.000 . 6.000 5.386 4.732 5.568 . 0 0 "[ . 1 . 2 .]" 1
407 1 56 HIS QB 1 57 LEU H 2.000 . 6.000 4.057 3.963 4.084 . 0 0 "[ . 1 . 2 .]" 1
408 1 56 HIS HB2 1 57 LEU H 2.000 . 5.000 4.444 4.260 4.496 . 0 0 "[ . 1 . 2 .]" 1
409 1 54 LEU QB 1 57 LEU H 2.000 . 6.000 5.444 5.361 5.487 . 0 0 "[ . 1 . 2 .]" 1
410 1 57 LEU H 1 58 ARG QB 2.000 . 6.000 3.894 3.308 4.586 . 0 0 "[ . 1 . 2 .]" 1
411 1 53 TYR HB3 1 54 LEU H 2.000 . 3.000 2.464 1.957 2.737 . 0 0 "[ . 1 . 2 .]" 1
412 1 53 TYR HB2 1 54 LEU H 2.000 . 5.000 3.619 3.362 3.846 . 0 0 "[ . 1 . 2 .]" 1
413 1 53 TYR QD 1 54 LEU H 2.000 . 6.000 3.954 2.997 4.386 . 0 0 "[ . 1 . 2 .]" 1
414 1 53 TYR HB3 1 54 LEU HA 2.000 . 5.000 4.222 4.105 4.406 . 0 0 "[ . 1 . 2 .]" 1
415 1 54 LEU HA 1 58 ARG QB 2.000 . 6.000 3.530 1.928 5.257 . 0 0 "[ . 1 . 2 .]" 1
416 1 54 LEU HA 1 58 ARG QG 2.000 . 6.000 4.033 1.962 5.318 . 0 0 "[ . 1 . 2 .]" 1
417 1 58 ARG QG 1 59 GLY H 2.000 . 6.000 3.650 2.020 4.594 . 0 0 "[ . 1 . 2 .]" 1
418 1 58 ARG QB 1 59 GLY H 2.000 . 6.000 3.138 2.055 4.037 . 0 0 "[ . 1 . 2 .]" 1
419 1 30 ASN HB3 1 34 LYS H 2.000 . 5.000 4.237 3.770 4.535 . 0 0 "[ . 1 . 2 .]" 1
420 1 34 LYS HA 1 37 GLU HB2 2.000 . 4.000 3.292 2.540 3.872 . 0 0 "[ . 1 . 2 .]" 1
421 1 34 LYS HA 1 37 GLU HB3 2.000 . 4.000 3.191 2.709 3.683 . 0 0 "[ . 1 . 2 .]" 1
422 1 34 LYS HA 1 46 TRP HB3 2.000 . 4.000 2.221 2.023 2.497 . 0 0 "[ . 1 . 2 .]" 1
423 1 34 LYS HA 1 46 TRP HB2 2.000 . 4.000 2.520 2.208 2.969 . 0 0 "[ . 1 . 2 .]" 1
424 1 57 LEU QD 1 58 ARG H 2.000 . 8.900 3.836 3.637 3.981 . 0 0 "[ . 1 . 2 .]" 1
425 1 57 LEU HG 1 58 ARG H 2.000 . 5.000 4.250 4.089 4.499 . 0 0 "[ . 1 . 2 .]" 1
426 1 53 TYR QD 1 58 ARG H 2.000 . 7.000 4.024 3.468 4.458 . 0 0 "[ . 1 . 2 .]" 1
427 1 54 LEU QD 1 58 ARG QD 2.000 . 8.900 3.632 1.881 5.462 . 0 0 "[ . 1 . 2 .]" 1
428 1 53 TYR HB3 1 58 ARG H 2.000 . 5.000 4.920 4.591 5.058 0.058 12 0 "[ . 1 . 2 .]" 1
429 1 17 VAL H 1 36 MET ME 2.000 . 6.500 3.711 3.146 4.583 . 0 0 "[ . 1 . 2 .]" 1
430 1 13 ILE H 1 36 MET ME 2.000 . 6.500 4.946 4.080 5.300 . 0 0 "[ . 1 . 2 .]" 1
431 1 16 TYR H 1 36 MET ME 2.000 . 6.500 4.661 4.026 5.327 . 0 0 "[ . 1 . 2 .]" 1
432 1 16 TYR QD 1 36 MET ME 2.000 . 6.500 2.322 1.889 2.985 . 0 0 "[ . 1 . 2 .]" 1
433 1 16 TYR QE 1 36 MET ME 2.000 . 8.500 2.945 2.374 3.772 . 0 0 "[ . 1 . 2 .]" 1
434 1 33 TRP HH2 1 36 MET ME 2.000 . 6.500 4.830 3.943 5.391 . 0 0 "[ . 1 . 2 .]" 1
435 1 13 ILE HA 1 36 MET ME 2.000 . 4.500 2.587 1.915 2.979 . 0 0 "[ . 1 . 2 .]" 1
436 1 16 TYR QB 1 36 MET ME 2.000 . 5.500 2.560 1.976 3.302 . 0 0 "[ . 1 . 2 .]" 1
437 1 32 LEU QD 1 36 MET ME 2.000 . 9.400 3.967 3.021 4.757 . 0 0 "[ . 1 . 2 .]" 1
438 1 32 LEU HB3 1 36 MET ME 2.000 . 6.500 4.842 4.213 5.287 . 0 0 "[ . 1 . 2 .]" 1
439 1 17 VAL MG2 1 36 MET ME 2.000 . 7.000 2.406 1.905 2.946 . 0 0 "[ . 1 . 2 .]" 1
440 1 32 LEU HG 1 36 MET ME 2.000 . 6.500 4.801 4.076 5.211 . 0 0 "[ . 1 . 2 .]" 1
441 1 36 MET ME 1 49 LEU QD 2.000 . 8.900 2.146 1.726 3.086 0.074 14 0 "[ . 1 . 2 .]" 1
442 1 13 ILE HB 1 36 MET ME 2.000 . 6.500 4.647 3.876 5.219 . 0 0 "[ . 1 . 2 .]" 1
443 1 33 TRP HZ3 1 36 MET ME 2.000 . 5.500 3.106 2.016 3.737 . 0 0 "[ . 1 . 2 .]" 1
444 1 33 TRP HA 1 36 MET ME 2.000 . 6.500 3.105 2.326 3.898 . 0 0 "[ . 1 . 2 .]" 1
445 1 22 ARG QG 1 23 SER HB3 2.000 . 7.000 4.979 2.597 5.750 . 0 0 "[ . 1 . 2 .]" 1
446 1 2 ARG HA 1 3 ILE H 2.000 . 3.000 2.497 2.189 2.848 . 0 0 "[ . 1 . 2 .]" 1
447 1 3 ILE HA 1 4 ALA H 2.000 . 3.000 2.583 2.183 2.992 . 0 0 "[ . 1 . 2 .]" 1
448 1 4 ALA HA 1 5 PHE H 2.000 . 3.000 2.597 2.331 3.050 0.050 14 0 "[ . 1 . 2 .]" 1
449 1 5 PHE HA 1 6 THR H 2.000 . 5.000 2.321 2.201 2.611 . 0 0 "[ . 1 . 2 .]" 1
450 1 6 THR HA 1 7 ASP H 2.000 . 4.000 2.669 2.429 2.918 . 0 0 "[ . 1 . 2 .]" 1
451 1 7 ASP HA 1 8 ALA H 2.000 . 4.000 3.552 3.516 3.582 . 0 0 "[ . 1 . 2 .]" 1
452 1 8 ALA HA 1 9 ASP H 2.000 . 4.000 3.553 3.504 3.591 . 0 0 "[ . 1 . 2 .]" 1
453 1 9 ASP HA 1 10 ASP H 2.000 . 4.000 3.558 3.508 3.593 . 0 0 "[ . 1 . 2 .]" 1
454 1 10 ASP HA 1 11 VAL H 2.000 . 4.000 3.562 3.518 3.595 . 0 0 "[ . 1 . 2 .]" 1
455 1 12 ALA HA 1 13 ILE H 2.000 . 4.000 3.572 3.528 3.593 . 0 0 "[ . 1 . 2 .]" 1
456 1 13 ILE HA 1 14 LEU H 2.000 . 4.000 3.554 3.499 3.593 . 0 0 "[ . 1 . 2 .]" 1
457 1 14 LEU HA 1 15 THR H 2.000 . 4.000 3.591 3.581 3.599 . 0 0 "[ . 1 . 2 .]" 1
458 1 16 TYR HA 1 17 VAL H 2.000 . 4.000 3.576 3.541 3.593 . 0 0 "[ . 1 . 2 .]" 1
459 1 19 GLU HA 1 20 ASN H 2.000 . 5.000 3.556 3.465 3.599 . 0 0 "[ . 1 . 2 .]" 1
460 1 20 ASN HA 1 21 ALA H 2.000 . 5.000 3.586 3.567 3.599 . 0 0 "[ . 1 . 2 .]" 1
461 1 21 ALA HA 1 22 ARG H 2.000 . 5.000 2.625 2.175 3.584 . 0 0 "[ . 1 . 2 .]" 1
462 1 22 ARG HA 1 23 SER H 2.000 . 5.000 3.202 2.966 3.577 . 0 0 "[ . 1 . 2 .]" 1
463 1 25 SER HA 1 26 SER H 2.000 . 4.000 3.568 3.206 3.597 . 0 0 "[ . 1 . 2 .]" 1
464 1 27 VAL HA 1 28 THR H 2.000 . 5.000 3.386 2.944 3.562 . 0 0 "[ . 1 . 2 .]" 1
465 1 28 THR HA 1 29 GLY H 2.000 . 4.000 3.394 2.988 3.569 . 0 0 "[ . 1 . 2 .]" 1
466 1 29 GLY QA 1 30 ASN H 2.000 . 4.000 2.525 2.217 2.963 . 0 0 "[ . 1 . 2 .]" 1
467 1 30 ASN HA 1 31 ALA H 2.000 . 5.000 3.049 2.928 3.176 . 0 0 "[ . 1 . 2 .]" 1
468 1 31 ALA HA 1 32 LEU H 2.000 . 5.000 3.588 3.562 3.603 . 0 0 "[ . 1 . 2 .]" 1
469 1 32 LEU HA 1 33 TRP H 2.000 . 4.000 3.517 3.481 3.554 . 0 0 "[ . 1 . 2 .]" 1
470 1 33 TRP HA 1 34 LYS H 2.000 . 5.000 3.586 3.559 3.625 . 0 0 "[ . 1 . 2 .]" 1
471 1 34 LYS HA 1 35 ALA H 2.000 . 5.000 3.562 3.539 3.582 . 0 0 "[ . 1 . 2 .]" 1
472 1 35 ALA HA 1 36 MET H 2.000 . 4.000 3.561 3.536 3.604 . 0 0 "[ . 1 . 2 .]" 1
473 1 36 MET HA 1 37 GLU H 2.000 . 5.000 3.567 3.503 3.593 . 0 0 "[ . 1 . 2 .]" 1
474 1 37 GLU HA 1 38 LYS H 2.000 . 5.000 3.539 3.508 3.578 . 0 0 "[ . 1 . 2 .]" 1
475 1 38 LYS HA 1 39 SER H 2.000 . 5.000 3.419 3.056 3.594 . 0 0 "[ . 1 . 2 .]" 1
476 1 41 LEU HA 1 42 THR H 2.000 . 4.000 3.124 2.242 3.587 . 0 0 "[ . 1 . 2 .]" 1
477 1 42 THR HA 1 43 GLN H 2.000 . 4.000 2.888 2.578 3.580 . 0 0 "[ . 1 . 2 .]" 1
478 1 43 GLN HA 1 44 HIS H 2.000 . 4.000 2.343 2.230 2.572 . 0 0 "[ . 1 . 2 .]" 1
479 1 45 SER HA 1 46 TRP H 2.000 . 5.000 2.500 2.206 3.085 . 0 0 "[ . 1 . 2 .]" 1
480 1 46 TRP HA 1 47 GLN H 2.000 . 4.000 3.539 3.517 3.560 . 0 0 "[ . 1 . 2 .]" 1
481 1 47 GLN HA 1 48 SER H 2.000 . 4.000 3.580 3.550 3.596 . 0 0 "[ . 1 . 2 .]" 1
482 1 48 SER HA 1 49 LEU H 2.000 . 4.000 3.523 3.493 3.586 . 0 0 "[ . 1 . 2 .]" 1
483 1 49 LEU HA 1 50 LYS H 2.000 . 4.000 3.548 3.479 3.595 . 0 0 "[ . 1 . 2 .]" 1
484 1 52 ARG HA 1 53 TYR H 2.000 . 4.000 3.562 3.526 3.591 . 0 0 "[ . 1 . 2 .]" 1
485 1 53 TYR HA 1 54 LEU H 2.000 . 4.000 3.559 3.522 3.591 . 0 0 "[ . 1 . 2 .]" 1
486 1 54 LEU HA 1 55 LYS H 2.000 . 4.000 3.491 3.386 3.537 . 0 0 "[ . 1 . 2 .]" 1
487 1 55 LYS HA 1 56 HIS H 2.000 . 4.000 3.595 3.582 3.608 . 0 0 "[ . 1 . 2 .]" 1
488 1 57 LEU HA 1 58 ARG H 2.000 . 5.000 3.581 3.565 3.598 . 0 0 "[ . 1 . 2 .]" 1
489 1 5 PHE H 1 6 THR H 2.000 . 5.000 4.076 2.966 4.552 . 0 0 "[ . 1 . 2 .]" 1
490 1 7 ASP H 1 8 ALA H 2.000 . 3.000 2.622 2.370 2.820 . 0 0 "[ . 1 . 2 .]" 1
491 1 8 ALA H 1 9 ASP H 2.000 . 3.000 2.678 2.492 2.905 . 0 0 "[ . 1 . 2 .]" 1
492 1 9 ASP H 1 10 ASP H 2.000 . 3.000 2.645 2.404 2.790 . 0 0 "[ . 1 . 2 .]" 1
493 1 10 ASP H 1 11 VAL H 2.000 . 3.000 2.723 2.572 2.911 . 0 0 "[ . 1 . 2 .]" 1
494 1 12 ALA H 1 13 ILE H 2.000 . 3.000 2.677 2.550 2.893 . 0 0 "[ . 1 . 2 .]" 1
495 1 13 ILE H 1 14 LEU H 2.000 . 3.000 2.645 2.434 2.842 . 0 0 "[ . 1 . 2 .]" 1
496 1 14 LEU H 1 15 THR H 2.000 . 3.000 2.855 2.691 3.010 0.010 9 0 "[ . 1 . 2 .]" 1
497 1 15 THR H 1 16 TYR H 2.000 . 3.000 2.879 2.788 2.989 . 0 0 "[ . 1 . 2 .]" 1
498 1 16 TYR H 1 17 VAL H 2.000 . 3.000 2.752 2.489 2.924 . 0 0 "[ . 1 . 2 .]" 1
499 1 17 VAL H 1 18 LYS H 2.000 . 3.000 2.736 2.378 2.917 . 0 0 "[ . 1 . 2 .]" 1
500 1 19 GLU H 1 20 ASN H 2.000 . 3.000 2.436 1.980 2.787 . 0 0 "[ . 1 . 2 .]" 1
501 1 20 ASN H 1 21 ALA H 2.000 . 3.000 2.473 2.073 2.793 . 0 0 "[ . 1 . 2 .]" 1
502 1 26 SER H 1 27 VAL H 2.000 . 4.000 2.799 2.534 3.115 . 0 0 "[ . 1 . 2 .]" 1
503 1 27 VAL H 1 28 THR H 2.000 . 5.000 2.594 2.220 2.904 . 0 0 "[ . 1 . 2 .]" 1
504 1 28 THR H 1 29 GLY H 2.000 . 5.000 2.245 1.971 2.528 . 0 0 "[ . 1 . 2 .]" 1
505 1 29 GLY H 1 30 ASN H 2.000 . 5.000 3.490 1.961 4.661 . 0 0 "[ . 1 . 2 .]" 1
506 1 30 ASN H 1 31 ALA H 2.000 . 3.000 2.605 2.133 2.946 . 0 0 "[ . 1 . 2 .]" 1
507 1 31 ALA H 1 32 LEU H 2.000 . 3.000 2.580 2.359 2.753 . 0 0 "[ . 1 . 2 .]" 1
508 1 32 LEU H 1 33 TRP H 2.000 . 3.000 2.732 2.569 2.797 . 0 0 "[ . 1 . 2 .]" 1
509 1 33 TRP H 1 34 LYS H 2.000 . 3.000 2.591 2.402 2.786 . 0 0 "[ . 1 . 2 .]" 1
510 1 34 LYS H 1 35 ALA H 2.000 . 3.000 2.774 2.675 2.870 . 0 0 "[ . 1 . 2 .]" 1
511 1 35 ALA H 1 36 MET H 2.000 . 3.000 2.729 2.559 3.018 0.018 22 0 "[ . 1 . 2 .]" 1
512 1 36 MET H 1 37 GLU H 2.000 . 3.000 2.747 2.587 2.869 . 0 0 "[ . 1 . 2 .]" 1
513 1 37 GLU H 1 38 LYS H 2.000 . 3.000 2.735 2.471 2.905 . 0 0 "[ . 1 . 2 .]" 1
514 1 38 LYS H 1 39 SER H 2.000 . 3.000 2.492 2.248 2.750 . 0 0 "[ . 1 . 2 .]" 1
515 1 42 THR H 1 43 GLN H 2.000 . 5.000 4.151 2.349 4.686 . 0 0 "[ . 1 . 2 .]" 1
516 1 43 GLN H 1 44 HIS H 2.000 . 5.000 3.881 2.813 4.195 . 0 0 "[ . 1 . 2 .]" 1
517 1 46 TRP H 1 47 GLN H 2.000 . 3.000 2.582 2.145 3.260 0.260 11 0 "[ . 1 . 2 .]" 1
518 1 48 SER H 1 49 LEU H 2.000 . 3.000 2.753 2.502 3.015 0.015 9 0 "[ . 1 . 2 .]" 1
519 1 49 LEU H 1 50 LYS H 2.000 . 3.000 2.561 2.326 2.845 . 0 0 "[ . 1 . 2 .]" 1
520 1 50 LYS H 1 51 ASP H 2.000 . 3.000 2.598 2.406 2.770 . 0 0 "[ . 1 . 2 .]" 1
521 1 51 ASP H 1 52 ARG H 2.000 . 3.000 2.716 2.585 2.908 . 0 0 "[ . 1 . 2 .]" 1
522 1 52 ARG H 1 53 TYR H 2.000 . 3.000 2.692 2.584 2.847 . 0 0 "[ . 1 . 2 .]" 1
523 1 53 TYR H 1 54 LEU H 2.000 . 3.000 2.784 2.636 3.051 0.051 20 0 "[ . 1 . 2 .]" 1
524 1 54 LEU H 1 55 LYS H 2.000 . 3.000 2.400 2.271 2.767 . 0 0 "[ . 1 . 2 .]" 1
525 1 55 LYS H 1 56 HIS H 2.000 . 4.000 2.858 2.545 3.064 . 0 0 "[ . 1 . 2 .]" 1
526 1 56 HIS H 1 57 LEU H 2.000 . 4.000 2.358 2.014 2.525 . 0 0 "[ . 1 . 2 .]" 1
527 1 8 ALA HA 1 11 VAL H 2.000 . 4.000 3.693 3.482 3.898 . 0 0 "[ . 1 . 2 .]" 1
528 1 7 ASP HA 1 11 VAL H 2.000 . 5.000 4.383 3.746 4.780 . 0 0 "[ . 1 . 2 .]" 1
529 1 10 ASP HA 1 13 ILE H 2.000 . 4.000 3.724 3.466 3.924 . 0 0 "[ . 1 . 2 .]" 1
530 1 11 VAL HA 1 14 LEU H 2.000 . 4.000 3.637 3.343 3.901 . 0 0 "[ . 1 . 2 .]" 1
531 1 10 ASP HA 1 14 LEU H 2.000 . 5.000 3.976 3.619 4.516 . 0 0 "[ . 1 . 2 .]" 1
532 1 12 ALA HA 1 15 THR H 2.000 . 4.000 3.989 3.866 4.049 0.049 4 0 "[ . 1 . 2 .]" 1
533 1 11 VAL HA 1 15 THR H 2.000 . 5.000 3.635 3.419 3.812 . 0 0 "[ . 1 . 2 .]" 1
534 1 13 ILE HA 1 16 TYR H 2.000 . 5.000 3.869 3.637 4.204 . 0 0 "[ . 1 . 2 .]" 1
535 1 13 ILE HA 1 17 VAL H 2.000 . 5.000 3.862 3.509 4.361 . 0 0 "[ . 1 . 2 .]" 1
536 1 14 LEU HA 1 17 VAL H 2.000 . 4.000 3.722 3.377 3.952 . 0 0 "[ . 1 . 2 .]" 1
537 1 15 THR HA 1 18 LYS H 2.000 . 4.000 3.790 3.456 4.017 0.017 19 0 "[ . 1 . 2 .]" 1
538 1 17 VAL HA 1 20 ASN H 2.000 . 4.000 3.575 3.283 3.915 . 0 0 "[ . 1 . 2 .]" 1
539 1 17 VAL HA 1 21 ALA H 2.000 . 5.000 2.893 2.530 3.590 . 0 0 "[ . 1 . 2 .]" 1
540 1 25 SER HA 1 28 THR H 2.000 . 5.000 3.668 3.188 3.975 . 0 0 "[ . 1 . 2 .]" 1
541 1 29 GLY QA 1 31 ALA H 2.000 . 6.000 3.377 3.190 3.779 . 0 0 "[ . 1 . 2 .]" 1
542 1 30 ASN HA 1 33 TRP H 2.000 . 5.000 3.631 3.465 3.758 . 0 0 "[ . 1 . 2 .]" 1
543 1 31 ALA HA 1 34 LYS H 2.000 . 4.000 3.635 3.335 3.927 . 0 0 "[ . 1 . 2 .]" 1
544 1 31 ALA HA 1 35 ALA H 2.000 . 5.000 3.899 3.587 4.246 . 0 0 "[ . 1 . 2 .]" 1
545 1 32 LEU HA 1 36 MET H 2.000 . 5.000 4.344 3.953 4.639 . 0 0 "[ . 1 . 2 .]" 1
546 1 34 LYS HA 1 37 GLU H 2.000 . 4.000 3.532 3.308 3.803 . 0 0 "[ . 1 . 2 .]" 1
547 1 36 MET HA 1 39 SER H 2.000 . 4.000 3.338 2.986 3.824 . 0 0 "[ . 1 . 2 .]" 1
548 1 47 GLN HA 1 50 LYS H 2.000 . 5.000 3.486 3.165 3.823 . 0 0 "[ . 1 . 2 .]" 1
549 1 48 SER HA 1 51 ASP H 2.000 . 4.000 3.734 3.527 3.978 . 0 0 "[ . 1 . 2 .]" 1
550 1 47 GLN HA 1 51 ASP H 2.000 . 4.000 3.851 3.503 4.028 0.028 13 0 "[ . 1 . 2 .]" 1
551 1 49 LEU HA 1 52 ARG H 2.000 . 5.000 3.749 3.233 4.108 . 0 0 "[ . 1 . 2 .]" 1
552 1 49 LEU HA 1 53 TYR H 2.000 . 5.000 4.400 3.896 4.783 . 0 0 "[ . 1 . 2 .]" 1
553 1 51 ASP HA 1 54 LEU H 2.000 . 4.000 3.680 3.381 4.013 0.013 24 0 "[ . 1 . 2 .]" 1
554 1 51 ASP HA 1 55 LYS H 2.000 . 5.000 4.184 3.892 4.850 . 0 0 "[ . 1 . 2 .]" 1
555 1 52 ARG HA 1 56 HIS H 2.000 . 5.000 4.083 3.876 4.265 . 0 0 "[ . 1 . 2 .]" 1
556 1 53 TYR HA 1 56 HIS H 2.000 . 5.000 4.352 4.010 4.780 . 0 0 "[ . 1 . 2 .]" 1
557 1 54 LEU HA 1 58 ARG H 2.000 . 5.000 3.602 2.972 4.101 . 0 0 "[ . 1 . 2 .]" 1
558 1 30 ASN HA 1 34 LYS H 2.000 . 5.000 3.886 3.548 4.246 . 0 0 "[ . 1 . 2 .]" 1
559 1 7 ASP H 1 9 ASP H 2.000 . 5.000 4.211 3.915 4.794 . 0 0 "[ . 1 . 2 .]" 1
560 1 8 ALA H 1 10 ASP H 2.000 . 5.000 4.192 3.824 4.623 . 0 0 "[ . 1 . 2 .]" 1
561 1 9 ASP H 1 11 VAL H 2.000 . 5.000 4.228 3.924 4.584 . 0 0 "[ . 1 . 2 .]" 1
562 1 10 ASP H 1 12 ALA H 2.000 . 5.000 4.168 3.807 4.631 . 0 0 "[ . 1 . 2 .]" 1
563 1 11 VAL H 1 13 ILE H 2.000 . 5.000 4.229 3.857 4.547 . 0 0 "[ . 1 . 2 .]" 1
564 1 12 ALA H 1 14 LEU H 2.000 . 5.000 4.064 3.789 4.402 . 0 0 "[ . 1 . 2 .]" 1
565 1 13 ILE H 1 15 THR H 2.000 . 5.000 4.563 4.322 4.779 . 0 0 "[ . 1 . 2 .]" 1
566 1 16 TYR H 1 18 LYS H 2.000 . 5.000 4.192 3.846 4.665 . 0 0 "[ . 1 . 2 .]" 1
567 1 17 VAL H 1 19 GLU H 2.000 . 5.000 3.968 3.751 4.236 . 0 0 "[ . 1 . 2 .]" 1
568 1 19 GLU H 1 21 ALA H 2.000 . 5.000 4.196 3.741 4.469 . 0 0 "[ . 1 . 2 .]" 1
569 1 32 LEU H 1 34 LYS H 2.000 . 5.000 4.516 4.214 4.763 . 0 0 "[ . 1 . 2 .]" 1
570 1 33 TRP H 1 35 ALA H 2.000 . 5.000 3.918 3.805 4.037 . 0 0 "[ . 1 . 2 .]" 1
571 1 35 ALA H 1 37 GLU H 2.000 . 5.000 4.280 3.873 4.653 . 0 0 "[ . 1 . 2 .]" 1
572 1 49 LEU H 1 51 ASP H 2.000 . 5.000 4.091 3.716 4.759 . 0 0 "[ . 1 . 2 .]" 1
573 1 52 ARG H 1 54 LEU H 2.000 . 5.000 4.381 4.091 5.014 0.014 20 0 "[ . 1 . 2 .]" 1
574 1 54 LEU H 1 56 HIS H 2.000 . 5.000 4.596 4.371 4.843 . 0 0 "[ . 1 . 2 .]" 1
575 1 55 LYS H 1 57 LEU H 2.000 . 5.000 4.224 3.603 4.475 . 0 0 "[ . 1 . 2 .]" 1
576 1 56 HIS H 1 58 ARG H 2.000 . 5.000 4.393 3.944 4.813 . 0 0 "[ . 1 . 2 .]" 1
577 1 2 ARG H 1 2 ARG QB 2.000 . 6.000 2.639 2.056 3.287 . 0 0 "[ . 1 . 2 .]" 1
578 1 2 ARG H 1 2 ARG QG 2.000 . 6.000 2.734 1.959 4.117 . 0 0 "[ . 1 . 2 .]" 1
579 1 3 ILE H 1 3 ILE HB 2.000 . 4.000 2.785 2.134 3.944 . 0 0 "[ . 1 . 2 .]" 1
580 1 4 ALA H 1 4 ALA HA 2.000 . 3.000 2.780 2.354 3.000 0.000 24 0 "[ . 1 . 2 .]" 1
581 1 4 ALA H 1 4 ALA MB 2.000 . 4.500 2.365 2.018 2.812 . 0 0 "[ . 1 . 2 .]" 1
582 1 5 PHE H 1 5 PHE HB2 2.000 . 3.000 2.470 2.184 2.790 . 0 0 "[ . 1 . 2 .]" 1
583 1 6 THR H 1 6 THR HA 2.000 . 3.000 2.940 2.868 3.001 0.001 7 0 "[ . 1 . 2 .]" 1
584 1 6 THR H 1 6 THR HG1 2.000 . 4.500 2.229 1.862 2.793 . 0 0 "[ . 1 . 2 .]" 1
585 1 6 THR HA 1 6 THR HG1 2.000 . 4.500 2.348 2.074 2.982 . 0 0 "[ . 1 . 2 .]" 1
586 1 7 ASP H 1 7 ASP HB2 2.000 . 3.000 2.196 2.016 2.356 . 0 0 "[ . 1 . 2 .]" 1
587 1 7 ASP HA 1 7 ASP HB3 2.000 . 3.000 2.609 2.513 2.737 . 0 0 "[ . 1 . 2 .]" 1
588 1 8 ALA H 1 8 ALA HA 2.000 . 3.000 2.876 2.831 2.918 . 0 0 "[ . 1 . 2 .]" 1
589 1 8 ALA H 1 8 ALA MB 2.000 . 4.500 2.032 1.939 2.170 . 0 0 "[ . 1 . 2 .]" 1
590 1 9 ASP H 1 9 ASP HB2 2.000 . 3.000 2.219 2.020 2.429 . 0 0 "[ . 1 . 2 .]" 1
591 1 9 ASP HA 1 9 ASP HB3 2.000 . 3.000 2.595 2.504 2.729 . 0 0 "[ . 1 . 2 .]" 1
592 1 10 ASP H 1 10 ASP HA 2.000 . 3.000 2.864 2.825 2.916 . 0 0 "[ . 1 . 2 .]" 1
593 1 10 ASP H 1 10 ASP HB2 2.000 . 3.000 2.184 2.024 2.416 . 0 0 "[ . 1 . 2 .]" 1
594 1 10 ASP HA 1 10 ASP HB3 2.000 . 3.000 2.628 2.495 2.740 . 0 0 "[ . 1 . 2 .]" 1
595 1 11 VAL H 1 11 VAL HA 2.000 . 3.000 2.892 2.846 2.936 . 0 0 "[ . 1 . 2 .]" 1
596 1 11 VAL H 1 11 VAL HB 2.000 . 3.000 2.406 2.333 2.474 . 0 0 "[ . 1 . 2 .]" 1
597 1 11 VAL H 1 11 VAL MG1 2.000 . 5.500 3.720 3.713 3.733 . 0 0 "[ . 1 . 2 .]" 1
598 1 11 VAL H 1 11 VAL MG2 2.000 . 4.500 2.075 1.946 2.305 . 0 0 "[ . 1 . 2 .]" 1
599 1 11 VAL HA 1 11 VAL MG1 2.000 . 4.500 2.368 2.287 2.448 . 0 0 "[ . 1 . 2 .]" 1
600 1 11 VAL HA 1 11 VAL MG2 2.000 . 4.500 2.353 2.219 2.432 . 0 0 "[ . 1 . 2 .]" 1
601 1 12 ALA H 1 12 ALA MB 2.000 . 4.500 2.078 1.958 2.169 . 0 0 "[ . 1 . 2 .]" 1
602 1 12 ALA H 1 12 ALA HA 2.000 . 3.000 2.885 2.847 2.922 . 0 0 "[ . 1 . 2 .]" 1
603 1 13 ILE H 1 13 ILE HB 2.000 . 3.000 2.391 2.309 2.430 . 0 0 "[ . 1 . 2 .]" 1
604 1 14 LEU H 1 14 LEU HA 2.000 . 3.000 2.880 2.814 2.937 . 0 0 "[ . 1 . 2 .]" 1
605 1 14 LEU H 1 14 LEU MD1 2.000 . 6.500 4.084 4.040 4.143 . 0 0 "[ . 1 . 2 .]" 1
606 1 14 LEU H 1 14 LEU MD2 2.000 . 6.500 4.158 4.108 4.196 . 0 0 "[ . 1 . 2 .]" 1
607 1 14 LEU H 1 14 LEU HG 2.000 . 5.000 4.334 4.262 4.372 . 0 0 "[ . 1 . 2 .]" 1
608 1 14 LEU H 1 14 LEU QB 2.000 . 4.000 2.158 2.122 2.175 . 0 0 "[ . 1 . 2 .]" 1
609 1 14 LEU HA 1 14 LEU MD1 2.000 . 4.500 2.090 1.955 2.339 . 0 0 "[ . 1 . 2 .]" 1
610 1 14 LEU HA 1 14 LEU MD2 2.000 . 6.500 3.873 3.850 3.919 . 0 0 "[ . 1 . 2 .]" 1
611 1 14 LEU HA 1 14 LEU HG 2.000 . 4.000 3.118 2.919 3.261 . 0 0 "[ . 1 . 2 .]" 1
612 1 14 LEU HA 1 14 LEU QB 2.000 . 6.000 2.339 2.314 2.353 . 0 0 "[ . 1 . 2 .]" 1
613 1 15 THR H 1 15 THR HG1 2.000 . 6.500 2.633 1.948 3.045 . 0 0 "[ . 1 . 2 .]" 1
614 1 15 THR H 1 15 THR HB 2.000 . 3.000 2.589 2.416 2.805 . 0 0 "[ . 1 . 2 .]" 1
615 1 15 THR HA 1 15 THR HG1 2.000 . 4.500 2.249 2.058 2.797 . 0 0 "[ . 1 . 2 .]" 1
616 1 15 THR H 1 15 THR HA 2.000 . 3.000 2.818 2.793 2.845 . 0 0 "[ . 1 . 2 .]" 1
617 1 16 TYR H 1 16 TYR QB 2.000 . 4.000 2.178 2.162 2.202 . 0 0 "[ . 1 . 2 .]" 1
618 1 16 TYR H 1 16 TYR QD 2.000 . 7.000 4.142 4.118 4.153 . 0 0 "[ . 1 . 2 .]" 1
619 1 16 TYR HA 1 16 TYR QB 2.000 . 5.000 2.375 2.349 2.404 . 0 0 "[ . 1 . 2 .]" 1
620 1 16 TYR HA 1 16 TYR QD 2.000 . 7.000 3.027 2.748 3.122 . 0 0 "[ . 1 . 2 .]" 1
621 1 17 VAL H 1 17 VAL MG1 2.000 . 6.500 3.704 3.681 3.717 . 0 0 "[ . 1 . 2 .]" 1
622 1 17 VAL H 1 17 VAL MG2 2.000 . 4.500 2.093 1.967 2.279 . 0 0 "[ . 1 . 2 .]" 1
623 1 17 VAL H 1 17 VAL HB 2.000 . 3.000 2.343 2.247 2.411 . 0 0 "[ . 1 . 2 .]" 1
624 1 17 VAL HA 1 17 VAL MG1 2.000 . 4.500 2.438 2.324 2.515 . 0 0 "[ . 1 . 2 .]" 1
625 1 17 VAL HA 1 17 VAL MG2 2.000 . 4.500 2.366 2.291 2.407 . 0 0 "[ . 1 . 2 .]" 1
626 1 17 VAL H 1 17 VAL HA 2.000 . 3.000 2.874 2.842 2.943 . 0 0 "[ . 1 . 2 .]" 1
627 1 18 LYS H 1 18 LYS QB 2.000 . 4.000 2.109 1.991 2.202 . 0 0 "[ . 1 . 2 .]" 1
628 1 18 LYS HA 1 18 LYS QB 2.000 . 5.000 2.448 2.377 2.520 . 0 0 "[ . 1 . 2 .]" 1
629 1 18 LYS HA 1 18 LYS QG 2.000 . 6.000 2.309 1.998 2.786 . 0 0 "[ . 1 . 2 .]" 1
630 1 19 GLU H 1 19 GLU QB 2.000 . 4.000 2.082 1.989 2.342 . 0 0 "[ . 1 . 2 .]" 1
631 1 19 GLU H 1 19 GLU QG 2.000 . 6.000 2.964 2.644 3.678 . 0 0 "[ . 1 . 2 .]" 1
632 1 19 GLU HA 1 19 GLU QG 2.000 . 4.000 2.249 1.998 2.555 . 0 0 "[ . 1 . 2 .]" 1
633 1 20 ASN H 1 20 ASN HB2 2.000 . 3.000 2.529 2.367 2.780 . 0 0 "[ . 1 . 2 .]" 1
634 1 20 ASN H 1 20 ASN QD 2.000 . 4.000 3.468 2.989 3.643 . 0 0 "[ . 1 . 2 .]" 1
635 1 20 ASN HA 1 20 ASN HB3 2.000 . 3.000 2.434 2.378 2.509 . 0 0 "[ . 1 . 2 .]" 1
636 1 21 ALA H 1 21 ALA HA 2.000 . 3.000 2.800 2.743 2.879 . 0 0 "[ . 1 . 2 .]" 1
637 1 21 ALA H 1 21 ALA MB 2.000 . 4.500 2.035 1.936 2.175 . 0 0 "[ . 1 . 2 .]" 1
638 1 23 SER H 1 23 SER HA 2.000 . 3.000 2.942 2.903 2.983 . 0 0 "[ . 1 . 2 .]" 1
639 1 23 SER H 1 23 SER HB3 2.000 . 4.000 2.940 2.250 3.397 . 0 0 "[ . 1 . 2 .]" 1
640 1 23 SER HA 1 23 SER HB3 2.000 . 3.000 2.583 2.446 2.700 . 0 0 "[ . 1 . 2 .]" 1
641 1 23 SER HA 1 23 SER HB2 2.000 . 3.000 2.386 2.311 2.510 . 0 0 "[ . 1 . 2 .]" 1
642 1 25 SER H 1 25 SER QB 2.000 . 5.000 2.796 2.523 3.209 . 0 0 "[ . 1 . 2 .]" 1
643 1 25 SER HA 1 25 SER QB 2.000 . 4.000 2.379 2.201 2.551 . 0 0 "[ . 1 . 2 .]" 1
644 1 26 SER H 1 26 SER HA 2.000 . 3.000 2.866 2.823 2.952 . 0 0 "[ . 1 . 2 .]" 1
645 1 26 SER H 1 26 SER QB 2.000 . 4.000 2.350 1.972 2.763 . 0 0 "[ . 1 . 2 .]" 1
646 1 26 SER HA 1 26 SER QB 2.000 . 4.000 2.362 2.190 2.540 . 0 0 "[ . 1 . 2 .]" 1
647 1 27 VAL H 1 27 VAL MG1 2.000 . 4.500 2.236 1.965 2.600 . 0 0 "[ . 1 . 2 .]" 1
648 1 27 VAL H 1 27 VAL MG2 2.000 . 4.500 1.987 1.909 2.069 . 0 0 "[ . 1 . 2 .]" 1
649 1 27 VAL H 1 27 VAL HB 2.000 . 4.000 3.583 3.541 3.648 . 0 0 "[ . 1 . 2 .]" 1
650 1 27 VAL HA 1 27 VAL MG1 2.000 . 4.500 2.319 2.235 2.406 . 0 0 "[ . 1 . 2 .]" 1
651 1 27 VAL HA 1 27 VAL MG2 2.000 . 5.500 3.205 3.194 3.219 . 0 0 "[ . 1 . 2 .]" 1
652 1 28 THR H 1 28 THR HG1 2.000 . 5.500 2.717 1.929 3.570 . 0 0 "[ . 1 . 2 .]" 1
653 1 28 THR HA 1 28 THR HG1 2.000 . 5.500 2.274 2.019 2.671 . 0 0 "[ . 1 . 2 .]" 1
654 1 30 ASN H 1 30 ASN HB2 2.000 . 4.000 2.930 2.363 3.517 . 0 0 "[ . 1 . 2 .]" 1
655 1 30 ASN HA 1 30 ASN HB3 2.000 . 3.000 2.487 2.456 2.536 . 0 0 "[ . 1 . 2 .]" 1
656 1 31 ALA H 1 31 ALA HA 2.000 . 3.000 2.960 2.956 2.965 . 0 0 "[ . 1 . 2 .]" 1
657 1 31 ALA H 1 31 ALA MB 2.000 . 4.000 2.095 1.994 2.223 . 0 0 "[ . 1 . 2 .]" 1
658 1 32 LEU H 1 32 LEU QD 2.000 . 8.900 3.176 3.022 3.334 . 0 0 "[ . 1 . 2 .]" 1
659 1 32 LEU H 1 32 LEU HG 2.000 . 5.000 4.300 4.057 4.400 . 0 0 "[ . 1 . 2 .]" 1
660 1 32 LEU H 1 32 LEU HB3 2.000 . 3.000 2.978 2.891 3.028 0.028 4 0 "[ . 1 . 2 .]" 1
661 1 32 LEU H 1 32 LEU HB2 2.000 . 3.000 2.029 1.992 2.092 . 0 0 "[ . 1 . 2 .]" 1
662 1 32 LEU HA 1 32 LEU QD 2.000 . 8.900 2.453 2.041 2.906 . 0 0 "[ . 1 . 2 .]" 1
663 1 32 LEU HA 1 32 LEU HB2 2.000 . 3.000 2.723 2.682 2.761 . 0 0 "[ . 1 . 2 .]" 1
664 1 32 LEU H 1 32 LEU HA 2.000 . 3.000 2.837 2.817 2.892 . 0 0 "[ . 1 . 2 .]" 1
665 1 33 TRP H 1 33 TRP HB2 2.000 . 3.000 2.511 2.404 2.592 . 0 0 "[ . 1 . 2 .]" 1
666 1 33 TRP H 1 33 TRP HE1 2.000 . 5.000 4.238 4.076 4.553 . 0 0 "[ . 1 . 2 .]" 1
667 1 33 TRP H 1 33 TRP HA 2.000 . 3.000 2.923 2.887 2.946 . 0 0 "[ . 1 . 2 .]" 1
668 1 34 LYS H 1 34 LYS HA 2.000 . 3.000 2.841 2.818 2.862 . 0 0 "[ . 1 . 2 .]" 1
669 1 34 LYS H 1 34 LYS HB3 2.000 . 4.000 3.468 3.388 3.516 . 0 0 "[ . 1 . 2 .]" 1
670 1 34 LYS H 1 34 LYS HG3 2.000 . 5.000 3.214 2.570 3.817 . 0 0 "[ . 1 . 2 .]" 1
671 1 34 LYS H 1 34 LYS HG2 2.000 . 4.000 3.138 2.423 4.173 0.173 17 0 "[ . 1 . 2 .]" 1
672 1 34 LYS HA 1 34 LYS HG3 2.000 . 4.000 3.220 2.012 3.640 . 0 0 "[ . 1 . 2 .]" 1
673 1 34 LYS HA 1 34 LYS HG2 2.000 . 5.000 2.407 2.043 3.454 . 0 0 "[ . 1 . 2 .]" 1
674 1 34 LYS QD 1 34 LYS HG3 2.000 . 5.000 2.416 2.154 2.520 . 0 0 "[ . 1 . 2 .]" 1
675 1 34 LYS QD 1 34 LYS HG2 2.000 . 5.000 2.312 2.216 2.534 . 0 0 "[ . 1 . 2 .]" 1
676 1 34 LYS HB3 1 34 LYS HG3 2.000 . 3.000 2.778 2.559 3.029 0.029 9 0 "[ . 1 . 2 .]" 1
677 1 34 LYS HB2 1 34 LYS HG3 2.000 . 3.000 2.400 2.286 3.003 0.003 14 0 "[ . 1 . 2 .]" 1
678 1 35 ALA H 1 35 ALA HA 2.000 . 3.000 2.856 2.807 2.896 . 0 0 "[ . 1 . 2 .]" 1
679 1 35 ALA H 1 35 ALA MB 2.000 . 5.000 2.092 1.948 2.163 . 0 0 "[ . 1 . 2 .]" 1
680 1 36 MET H 1 36 MET QB 2.000 . 5.000 2.114 1.958 2.389 . 0 0 "[ . 1 . 2 .]" 1
681 1 36 MET H 1 36 MET HA 2.000 . 3.000 2.857 2.811 2.903 . 0 0 "[ . 1 . 2 .]" 1
682 1 37 GLU H 1 37 GLU HA 2.000 . 3.000 2.845 2.801 2.917 . 0 0 "[ . 1 . 2 .]" 1
683 1 37 GLU H 1 37 GLU HB3 2.000 . 3.000 2.608 2.334 2.885 . 0 0 "[ . 1 . 2 .]" 1
684 1 37 GLU H 1 37 GLU HB2 2.000 . 3.000 2.304 2.062 2.563 . 0 0 "[ . 1 . 2 .]" 1
685 1 37 GLU HA 1 37 GLU HB2 2.000 . 3.000 2.539 2.432 2.677 . 0 0 "[ . 1 . 2 .]" 1
686 1 37 GLU HB3 1 37 GLU QG 2.000 . 6.000 2.491 2.389 2.551 . 0 0 "[ . 1 . 2 .]" 1
687 1 37 GLU HB2 1 37 GLU QG 2.000 . 4.000 2.209 2.169 2.346 . 0 0 "[ . 1 . 2 .]" 1
688 1 38 LYS H 1 38 LYS HA 2.000 . 3.000 2.950 2.861 3.000 . 9 0 "[ . 1 . 2 .]" 1
689 1 38 LYS H 1 38 LYS QB 2.000 . 4.000 2.198 2.019 2.633 . 0 0 "[ . 1 . 2 .]" 1
690 1 38 LYS H 1 38 LYS QG 2.000 . 6.000 3.256 1.927 4.066 . 0 0 "[ . 1 . 2 .]" 1
691 1 38 LYS HA 1 38 LYS QB 2.000 . 5.000 2.459 2.199 2.540 . 0 0 "[ . 1 . 2 .]" 1
692 1 38 LYS HA 1 38 LYS QG 2.000 . 6.000 2.340 1.972 3.325 . 0 0 "[ . 1 . 2 .]" 1
693 1 38 LYS HA 1 38 LYS QD 2.000 . 6.000 3.351 1.988 4.322 . 0 0 "[ . 1 . 2 .]" 1
694 1 39 SER H 1 39 SER QB 2.000 . 4.000 2.535 2.095 2.931 . 0 0 "[ . 1 . 2 .]" 1
695 1 39 SER HA 1 39 SER QB 2.000 . 4.000 2.380 2.201 2.539 . 0 0 "[ . 1 . 2 .]" 1
696 1 39 SER H 1 39 SER HA 2.000 . 3.000 2.969 2.877 3.004 0.004 25 0 "[ . 1 . 2 .]" 1
697 1 40 SER H 1 40 SER QB 2.000 . 5.000 2.691 2.095 3.163 . 0 0 "[ . 1 . 2 .]" 1
698 1 40 SER H 1 40 SER HA 2.000 . 3.000 2.939 2.357 2.999 . 0 0 "[ . 1 . 2 .]" 1
699 1 41 LEU H 1 41 LEU HB3 2.000 . 3.000 2.885 2.445 3.260 0.260 11 0 "[ . 1 . 2 .]" 1
700 1 41 LEU H 1 41 LEU HB2 2.000 . 3.000 2.580 2.083 3.058 0.058 2 0 "[ . 1 . 2 .]" 1
701 1 41 LEU H 1 41 LEU MD1 2.000 . 6.500 4.136 3.607 4.674 . 0 0 "[ . 1 . 2 .]" 1
702 1 41 LEU H 1 41 LEU MD2 2.000 . 6.500 4.267 3.589 4.719 . 0 0 "[ . 1 . 2 .]" 1
703 1 41 LEU HA 1 41 LEU HB2 2.000 . 3.000 2.643 2.400 2.750 . 0 0 "[ . 1 . 2 .]" 1
704 1 41 LEU HA 1 41 LEU MD1 2.000 . 5.500 2.757 1.967 3.751 . 0 0 "[ . 1 . 2 .]" 1
705 1 41 LEU HA 1 41 LEU MD2 2.000 . 5.500 3.045 1.937 3.863 . 0 0 "[ . 1 . 2 .]" 1
706 1 42 THR H 1 42 THR HG1 2.000 . 5.500 2.496 1.854 3.430 . 0 0 "[ . 1 . 2 .]" 1
707 1 42 THR HA 1 42 THR HG1 2.000 . 4.500 2.188 1.974 2.395 . 0 0 "[ . 1 . 2 .]" 1
708 1 43 GLN H 1 43 GLN QB 2.000 . 4.000 2.406 1.967 3.328 . 0 0 "[ . 1 . 2 .]" 1
709 1 43 GLN H 1 43 GLN QG 2.000 . 5.000 3.212 2.079 4.288 . 0 0 "[ . 1 . 2 .]" 1
710 1 43 GLN HA 1 43 GLN QB 2.000 . 5.000 2.440 2.199 2.549 . 0 0 "[ . 1 . 2 .]" 1
711 1 43 GLN HA 1 43 GLN QG 2.000 . 6.000 2.387 1.979 3.326 . 0 0 "[ . 1 . 2 .]" 1
712 1 44 HIS H 1 44 HIS HB2 2.000 . 4.000 2.665 2.329 2.813 . 0 0 "[ . 1 . 2 .]" 1
713 1 44 HIS HA 1 44 HIS HB3 2.000 . 3.000 2.786 2.759 2.827 . 0 0 "[ . 1 . 2 .]" 1
714 1 44 HIS HB2 1 44 HIS HD2 2.000 . 4.000 2.824 2.772 2.923 . 0 0 "[ . 1 . 2 .]" 1
715 1 44 HIS H 1 44 HIS HD2 2.000 . 5.000 4.430 4.051 4.630 . 0 0 "[ . 1 . 2 .]" 1
716 1 45 SER H 1 45 SER HA 2.000 . 3.000 2.973 2.898 3.008 0.008 7 0 "[ . 1 . 2 .]" 1
717 1 45 SER H 1 45 SER HB3 2.000 . 4.000 3.186 2.885 3.430 . 0 0 "[ . 1 . 2 .]" 1
718 1 46 TRP H 1 46 TRP HB2 2.000 . 4.000 3.563 3.462 3.843 . 0 0 "[ . 1 . 2 .]" 1
719 1 46 TRP HB2 1 46 TRP HD1 2.000 . 4.000 3.743 3.669 3.779 . 0 0 "[ . 1 . 2 .]" 1
720 1 46 TRP H 1 46 TRP HA 2.000 . 3.000 2.862 2.310 2.987 . 0 0 "[ . 1 . 2 .]" 1
721 1 47 GLN H 1 47 GLN HA 2.000 . 3.000 2.857 2.816 2.909 . 0 0 "[ . 1 . 2 .]" 1
722 1 47 GLN H 1 47 GLN HB3 2.000 . 4.000 3.052 2.582 3.536 . 0 0 "[ . 1 . 2 .]" 1
723 1 48 SER H 1 48 SER QB 2.000 . 5.000 2.111 2.000 2.181 . 0 0 "[ . 1 . 2 .]" 1
724 1 48 SER H 1 48 SER HA 2.000 . 3.000 2.846 2.817 2.907 . 0 0 "[ . 1 . 2 .]" 1
725 1 49 LEU H 1 49 LEU HA 2.000 . 3.000 2.908 2.830 2.950 . 0 0 "[ . 1 . 2 .]" 1
726 1 49 LEU H 1 49 LEU QB 2.000 . 4.000 2.353 1.953 2.786 . 0 0 "[ . 1 . 2 .]" 1
727 1 49 LEU H 1 49 LEU HG 2.000 . 5.000 2.887 1.979 4.465 . 0 0 "[ . 1 . 2 .]" 1
728 1 49 LEU HA 1 49 LEU MD1 2.000 . 5.500 3.259 1.968 4.037 . 0 0 "[ . 1 . 2 .]" 1
729 1 49 LEU HA 1 49 LEU MD2 2.000 . 5.500 2.743 1.939 3.847 . 0 0 "[ . 1 . 2 .]" 1
730 1 49 LEU HA 1 49 LEU QB 2.000 . 6.000 2.362 2.184 2.547 . 0 0 "[ . 1 . 2 .]" 1
731 1 51 ASP H 1 51 ASP HA 2.000 . 3.000 2.866 2.823 2.910 . 0 0 "[ . 1 . 2 .]" 1
732 1 51 ASP H 1 51 ASP HB3 2.000 . 3.000 2.713 2.496 2.999 . 0 0 "[ . 1 . 2 .]" 1
733 1 51 ASP H 1 51 ASP HB2 2.000 . 3.000 2.215 2.006 2.393 . 0 0 "[ . 1 . 2 .]" 1
734 1 52 ARG H 1 52 ARG HA 2.000 . 3.000 2.868 2.835 2.897 . 0 0 "[ . 1 . 2 .]" 1
735 1 52 ARG H 1 52 ARG QB 2.000 . 4.000 2.034 1.959 2.147 . 0 0 "[ . 1 . 2 .]" 1
736 1 52 ARG H 1 52 ARG HG3 2.000 . 5.000 4.289 4.187 4.385 . 0 0 "[ . 1 . 2 .]" 1
737 1 52 ARG H 1 52 ARG HG2 2.000 . 5.000 4.091 3.571 4.559 . 0 0 "[ . 1 . 2 .]" 1
738 1 52 ARG HA 1 52 ARG QB 2.000 . 4.000 2.444 2.275 2.558 . 0 0 "[ . 1 . 2 .]" 1
739 1 52 ARG HA 1 52 ARG HG3 2.000 . 5.000 3.465 3.361 3.546 . 0 0 "[ . 1 . 2 .]" 1
740 1 52 ARG HA 1 52 ARG HG2 2.000 . 5.000 2.894 2.045 3.863 . 0 0 "[ . 1 . 2 .]" 1
741 1 52 ARG HA 1 52 ARG HE 2.000 . 5.000 4.639 4.240 4.861 . 0 0 "[ . 1 . 2 .]" 1
742 1 52 ARG QB 1 52 ARG HE 2.000 . 5.000 3.250 1.989 4.108 . 0 0 "[ . 1 . 2 .]" 1
743 1 52 ARG HE 1 52 ARG QG 2.000 . 5.000 2.499 2.156 2.789 . 0 0 "[ . 1 . 2 .]" 1
744 1 53 TYR H 1 53 TYR HA 2.000 . 3.000 2.849 2.818 2.886 . 0 0 "[ . 1 . 2 .]" 1
745 1 53 TYR H 1 53 TYR HB3 2.000 . 3.000 2.723 2.411 2.860 . 0 0 "[ . 1 . 2 .]" 1
746 1 53 TYR H 1 53 TYR HB2 2.000 . 3.000 2.224 2.105 2.478 . 0 0 "[ . 1 . 2 .]" 1
747 1 53 TYR HA 1 53 TYR HB2 2.000 . 3.000 2.590 2.454 2.668 . 0 0 "[ . 1 . 2 .]" 1
748 1 53 TYR HB2 1 53 TYR QE 2.000 . 5.000 4.500 4.462 4.530 . 0 0 "[ . 1 . 2 .]" 1
749 1 53 TYR HA 1 53 TYR QD 2.000 . 7.000 2.313 2.055 2.752 . 0 0 "[ . 1 . 2 .]" 1
750 1 54 LEU H 1 54 LEU QD 2.000 . 7.900 3.126 2.773 3.368 . 0 0 "[ . 1 . 2 .]" 1
751 1 54 LEU H 1 54 LEU QB 2.000 . 4.000 2.195 2.090 2.446 . 0 0 "[ . 1 . 2 .]" 1
752 1 54 LEU H 1 54 LEU HG 2.000 . 3.000 2.615 1.901 3.000 0.000 11 0 "[ . 1 . 2 .]" 1
753 1 54 LEU HA 1 54 LEU QB 2.000 . 5.000 2.430 2.199 2.481 . 0 0 "[ . 1 . 2 .]" 1
754 1 54 LEU HA 1 54 LEU QD 2.000 . 6.900 2.226 1.946 3.387 . 0 0 "[ . 1 . 2 .]" 1
755 1 54 LEU H 1 54 LEU HA 2.000 . 3.000 2.940 2.851 2.963 . 0 0 "[ . 1 . 2 .]" 1
756 1 55 LYS H 1 55 LYS HA 2.000 . 3.000 2.847 2.809 2.925 . 0 0 "[ . 1 . 2 .]" 1
757 1 55 LYS H 1 55 LYS HB3 2.000 . 4.000 3.436 3.385 3.509 . 0 0 "[ . 1 . 2 .]" 1
758 1 55 LYS H 1 55 LYS HB2 2.000 . 3.000 2.075 2.010 2.223 . 0 0 "[ . 1 . 2 .]" 1
759 1 55 LYS H 1 55 LYS QG 2.000 . 5.000 2.778 2.475 2.961 . 0 0 "[ . 1 . 2 .]" 1
760 1 55 LYS H 1 55 LYS QD 2.000 . 6.000 4.251 3.815 4.436 . 0 0 "[ . 1 . 2 .]" 1
761 1 56 HIS H 1 56 HIS QB 2.000 . 6.000 3.297 3.210 3.364 . 0 0 "[ . 1 . 2 .]" 1
762 1 56 HIS H 1 56 HIS HD2 2.000 . 5.000 2.031 1.944 2.511 . 0 0 "[ . 1 . 2 .]" 1
763 1 57 LEU H 1 57 LEU HG 2.000 . 3.000 3.020 2.888 3.071 0.071 17 0 "[ . 1 . 2 .]" 1
764 1 57 LEU H 1 57 LEU QB 2.000 . 5.000 2.485 2.117 2.611 . 0 0 "[ . 1 . 2 .]" 1
765 1 57 LEU HA 1 57 LEU QD 2.000 . 6.900 2.025 1.924 2.155 . 0 0 "[ . 1 . 2 .]" 1
766 1 57 LEU HA 1 57 LEU QB 2.000 . 6.000 2.416 2.375 2.496 . 0 0 "[ . 1 . 2 .]" 1
767 1 58 ARG H 1 58 ARG QG 2.000 . 4.000 3.433 2.041 4.132 0.132 4 0 "[ . 1 . 2 .]" 1
768 1 58 ARG H 1 58 ARG QB 2.000 . 4.000 2.455 2.009 3.243 . 0 0 "[ . 1 . 2 .]" 1
769 1 58 ARG HA 1 58 ARG QB 2.000 . 5.000 2.426 2.202 2.556 . 0 0 "[ . 1 . 2 .]" 1
770 1 58 ARG HA 1 58 ARG QG 2.000 . 6.000 2.378 1.951 3.385 . 0 0 "[ . 1 . 2 .]" 1
771 1 58 ARG H 1 58 ARG HA 2.000 . 3.000 2.718 2.360 3.002 0.002 19 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 28
_Distance_constraint_stats_list.Viol_count 72
_Distance_constraint_stats_list.Viol_total 50.042
_Distance_constraint_stats_list.Viol_max 0.097
_Distance_constraint_stats_list.Viol_rms 0.0110
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0278
_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 7 ASP 0.054 0.024 11 0 "[ . 1 . 2 .]"
1 8 ALA 0.009 0.009 16 0 "[ . 1 . 2 .]"
1 9 ASP 0.007 0.007 9 0 "[ . 1 . 2 .]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 VAL 0.054 0.024 11 0 "[ . 1 . 2 .]"
1 12 ALA 0.009 0.009 16 0 "[ . 1 . 2 .]"
1 13 ILE 0.010 0.007 9 0 "[ . 1 . 2 .]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 THR 0.109 0.032 1 0 "[ . 1 . 2 .]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 VAL 0.078 0.036 14 0 "[ . 1 . 2 .]"
1 19 GLU 0.109 0.032 1 0 "[ . 1 . 2 .]"
1 21 ALA 0.075 0.036 14 0 "[ . 1 . 2 .]"
1 30 ASN 0.758 0.071 14 0 "[ . 1 . 2 .]"
1 33 TRP 0.140 0.069 11 0 "[ . 1 . 2 .]"
1 34 LYS 0.758 0.071 14 0 "[ . 1 . 2 .]"
1 35 ALA 0.229 0.054 22 0 "[ . 1 . 2 .]"
1 37 GLU 0.140 0.069 11 0 "[ . 1 . 2 .]"
1 39 SER 0.229 0.054 22 0 "[ . 1 . 2 .]"
1 50 LYS 0.618 0.097 7 0 "[ . 1 . 2 .]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 LEU 0.618 0.097 7 0 "[ . 1 . 2 .]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ASP O 1 13 ILE H 2.000 . 2.500 1.996 1.757 2.507 0.007 9 0 "[ . 1 . 2 .]" 2
2 1 9 ASP O 1 13 ILE N 2.700 2.400 3.500 2.947 2.727 3.417 . 0 0 "[ . 1 . 2 .]" 2
3 1 10 ASP O 1 14 LEU H 2.000 . 2.500 2.106 1.801 2.380 . 0 0 "[ . 1 . 2 .]" 2
4 1 10 ASP O 1 14 LEU N 2.700 2.400 3.500 2.993 2.692 3.285 . 0 0 "[ . 1 . 2 .]" 2
5 1 11 VAL O 1 15 THR H 2.000 . 2.500 2.013 1.819 2.260 . 0 0 "[ . 1 . 2 .]" 2
6 1 11 VAL O 1 15 THR N 2.700 2.400 3.500 2.945 2.739 3.202 . 0 0 "[ . 1 . 2 .]" 2
7 1 12 ALA O 1 16 TYR H 2.000 . 2.500 2.120 1.721 2.469 . 0 0 "[ . 1 . 2 .]" 2
8 1 12 ALA O 1 16 TYR N 2.700 2.400 3.500 3.021 2.647 3.426 . 0 0 "[ . 1 . 2 .]" 2
9 1 13 ILE O 1 17 VAL H 2.000 . 2.500 2.024 1.700 2.503 0.003 13 0 "[ . 1 . 2 .]" 2
10 1 13 ILE O 1 17 VAL N 2.700 2.400 3.500 2.956 2.656 3.410 . 0 0 "[ . 1 . 2 .]" 2
11 1 15 THR O 1 19 GLU H 2.000 . 2.500 2.350 2.014 2.532 0.032 1 0 "[ . 1 . 2 .]" 2
12 1 15 THR O 1 19 GLU N 2.700 2.400 3.500 3.030 2.654 3.377 . 0 0 "[ . 1 . 2 .]" 2
13 1 30 ASN O 1 34 LYS H 2.000 . 2.500 2.527 2.466 2.571 0.071 14 0 "[ . 1 . 2 .]" 2
14 1 30 ASN O 1 34 LYS N 2.700 2.400 3.500 3.399 3.314 3.511 0.011 14 0 "[ . 1 . 2 .]" 2
15 1 50 LYS O 1 54 LEU H 2.000 . 2.500 2.490 2.346 2.597 0.097 7 0 "[ . 1 . 2 .]" 2
16 1 50 LYS O 1 54 LEU N 2.700 2.400 3.500 3.407 3.245 3.518 0.018 9 0 "[ . 1 . 2 .]" 2
17 1 51 ASP O 1 55 LYS H 2.000 . 2.500 1.968 1.741 2.474 . 0 0 "[ . 1 . 2 .]" 2
18 1 51 ASP O 1 55 LYS N 2.700 2.400 3.500 2.741 2.575 3.058 . 0 0 "[ . 1 . 2 .]" 2
19 1 33 TRP O 1 37 GLU H 2.000 . 2.500 2.282 1.978 2.569 0.069 11 0 "[ . 1 . 2 .]" 2
20 1 33 TRP O 1 37 GLU N 2.700 2.400 3.500 3.209 2.923 3.481 . 0 0 "[ . 1 . 2 .]" 2
21 1 35 ALA O 1 39 SER H 2.000 . 2.500 2.297 1.717 2.554 0.054 22 0 "[ . 1 . 2 .]" 2
22 1 35 ALA O 1 39 SER N 2.700 2.400 3.500 2.953 2.582 3.471 . 0 0 "[ . 1 . 2 .]" 2
23 1 7 ASP O 1 11 VAL H 2.000 . 2.500 2.350 1.919 2.524 0.024 11 0 "[ . 1 . 2 .]" 2
24 1 7 ASP O 1 11 VAL N 2.700 2.400 3.500 3.268 2.889 3.470 . 0 0 "[ . 1 . 2 .]" 2
25 1 8 ALA O 1 12 ALA H 2.000 . 2.500 2.274 1.978 2.509 0.009 16 0 "[ . 1 . 2 .]" 2
26 1 8 ALA O 1 12 ALA N 2.700 2.400 3.500 3.174 2.868 3.402 . 0 0 "[ . 1 . 2 .]" 2
27 1 17 VAL O 1 21 ALA H 2.000 . 2.500 2.247 1.954 2.536 0.036 14 0 "[ . 1 . 2 .]" 2
28 1 17 VAL O 1 21 ALA N 2.700 2.400 3.500 2.794 2.580 3.306 . 0 0 "[ . 1 . 2 .]" 2
stop_
save_
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