Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
418275 | 2e45 RC | 7365 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2e45
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 608
_Distance_constraint_stats_list.Viol_count 793
_Distance_constraint_stats_list.Viol_total 639.381
_Distance_constraint_stats_list.Viol_max 0.275
_Distance_constraint_stats_list.Viol_rms 0.0105
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0323
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 ASP 0.047 0.035 1 0 "[ . 1 . 2 .]"
1 7 SER 0.130 0.051 16 0 "[ . 1 . 2 .]"
1 8 PHE 0.083 0.051 16 0 "[ . 1 . 2 .]"
1 9 TRP 0.433 0.070 24 0 "[ . 1 . 2 .]"
1 10 ASN 0.224 0.077 9 0 "[ . 1 . 2 .]"
1 11 PRO 0.374 0.046 5 0 "[ . 1 . 2 .]"
1 12 ASN 0.550 0.074 18 0 "[ . 1 . 2 .]"
1 13 ALA 0.026 0.009 25 0 "[ . 1 . 2 .]"
1 14 PHE 0.290 0.076 9 0 "[ . 1 . 2 .]"
1 15 GLU 0.976 0.275 17 0 "[ . 1 . 2 .]"
1 16 THR 0.759 0.275 17 0 "[ . 1 . 2 .]"
1 17 ASP 0.731 0.226 10 0 "[ . 1 . 2 .]"
1 18 SER 1.687 0.075 1 0 "[ . 1 . 2 .]"
1 19 ASP 0.962 0.075 1 0 "[ . 1 . 2 .]"
1 20 LEU 1.105 0.054 5 0 "[ . 1 . 2 .]"
1 21 PRO 0.511 0.032 3 0 "[ . 1 . 2 .]"
1 22 ALA 0.697 0.068 24 0 "[ . 1 . 2 .]"
1 23 GLY 1.128 0.071 18 0 "[ . 1 . 2 .]"
1 24 TRP 3.073 0.096 15 0 "[ . 1 . 2 .]"
1 25 MET 3.344 0.273 15 0 "[ . 1 . 2 .]"
1 26 ARG 2.015 0.273 15 0 "[ . 1 . 2 .]"
1 27 VAL 1.806 0.151 12 0 "[ . 1 . 2 .]"
1 28 GLN 2.009 0.151 12 0 "[ . 1 . 2 .]"
1 29 ASP 2.730 0.116 10 0 "[ . 1 . 2 .]"
1 30 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 31 SER 0.750 0.073 4 0 "[ . 1 . 2 .]"
1 32 GLY 0.977 0.073 4 0 "[ . 1 . 2 .]"
1 33 THR 0.024 0.014 8 0 "[ . 1 . 2 .]"
1 34 TYR 1.319 0.055 6 0 "[ . 1 . 2 .]"
1 35 TYR 0.448 0.045 8 0 "[ . 1 . 2 .]"
1 36 TRP 1.753 0.107 13 0 "[ . 1 . 2 .]"
1 37 HIS 1.018 0.063 8 0 "[ . 1 . 2 .]"
1 38 ILE 1.752 0.116 22 0 "[ . 1 . 2 .]"
1 39 PRO 0.158 0.046 7 0 "[ . 1 . 2 .]"
1 40 THR 1.497 0.205 14 0 "[ . 1 . 2 .]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 42 THR 1.679 0.091 18 0 "[ . 1 . 2 .]"
1 43 THR 2.609 0.091 18 0 "[ . 1 . 2 .]"
1 44 GLN 0.076 0.035 12 0 "[ . 1 . 2 .]"
1 45 TRP 0.846 0.086 25 0 "[ . 1 . 2 .]"
1 46 GLU 0.539 0.086 25 0 "[ . 1 . 2 .]"
1 47 PRO 0.074 0.023 14 0 "[ . 1 . 2 .]"
1 48 PRO 0.057 0.030 25 0 "[ . 1 . 2 .]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 ARG 0.239 0.074 21 0 "[ . 1 . 2 .]"
1 51 ALA 0.297 0.074 21 0 "[ . 1 . 2 .]"
1 52 SER 0.157 0.072 25 0 "[ . 1 . 2 .]"
1 53 PRO 0.019 0.011 8 0 "[ . 1 . 2 .]"
1 54 SER 0.041 0.017 1 0 "[ . 1 . 2 .]"
1 55 GLN 0.022 0.017 1 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 ASP HA 1 7 SER H 2.650 . 3.500 2.754 2.212 3.535 0.035 1 0 "[ . 1 . 2 .]" 1
2 1 6 ASP HB2 1 7 SER H 3.400 . 5.000 3.712 1.894 4.680 . 0 0 "[ . 1 . 2 .]" 1
3 1 7 SER H 1 7 SER QB 3.550 . 5.300 2.651 1.979 3.438 . 0 0 "[ . 1 . 2 .]" 1
4 1 7 SER HA 1 8 PHE H 2.650 . 3.500 2.662 2.236 3.551 0.051 16 0 "[ . 1 . 2 .]" 1
5 1 7 SER QB 1 8 PHE H 3.550 . 5.300 3.242 1.858 4.003 . 0 0 "[ . 1 . 2 .]" 1
6 1 8 PHE H 1 8 PHE HA 2.650 . 3.500 2.872 2.365 3.002 . 0 0 "[ . 1 . 2 .]" 1
7 1 8 PHE H 1 8 PHE QB 2.800 . 3.800 2.414 1.961 3.159 . 0 0 "[ . 1 . 2 .]" 1
8 1 8 PHE H 1 8 PHE QD 4.150 . 6.500 3.679 1.937 4.419 . 0 0 "[ . 1 . 2 .]" 1
9 1 8 PHE HA 1 8 PHE QD 3.650 . 5.500 2.479 1.895 3.696 . 0 0 "[ . 1 . 2 .]" 1
10 1 8 PHE QB 1 9 TRP H 3.550 . 5.300 3.045 1.825 4.003 . 0 0 "[ . 1 . 2 .]" 1
11 1 9 TRP H 1 9 TRP HA 2.300 . 2.800 2.742 2.363 2.870 0.070 24 0 "[ . 1 . 2 .]" 1
12 1 9 TRP H 1 9 TRP QB 2.800 . 3.800 2.423 1.940 3.156 . 0 0 "[ . 1 . 2 .]" 1
13 1 9 TRP H 1 9 TRP HD1 3.400 . 5.000 3.432 1.874 5.015 0.015 3 0 "[ . 1 . 2 .]" 1
14 1 9 TRP HA 1 9 TRP HD1 3.400 . 5.000 3.707 1.916 4.613 . 0 0 "[ . 1 . 2 .]" 1
15 1 9 TRP HA 1 9 TRP HE3 3.400 . 5.000 3.567 2.058 4.990 . 0 0 "[ . 1 . 2 .]" 1
16 1 9 TRP QB 1 9 TRP HE3 3.550 . 5.300 2.681 2.442 3.024 . 0 0 "[ . 1 . 2 .]" 1
17 1 9 TRP HE3 1 10 ASN H 3.400 . 5.000 4.182 2.208 5.000 . 0 0 "[ . 1 . 2 .]" 1
18 1 10 ASN H 1 10 ASN HB2 2.650 . 3.500 2.412 1.967 3.553 0.053 6 0 "[ . 1 . 2 .]" 1
19 1 10 ASN H 1 10 ASN HB3 2.650 . 3.500 3.238 2.438 3.534 0.034 4 0 "[ . 1 . 2 .]" 1
20 1 10 ASN HA 1 10 ASN HB2 2.650 . 3.500 2.843 2.409 3.037 . 0 0 "[ . 1 . 2 .]" 1
21 1 10 ASN HA 1 10 ASN HB3 2.650 . 3.500 2.807 2.485 3.037 . 0 0 "[ . 1 . 2 .]" 1
22 1 10 ASN HA 1 11 PRO HD2 2.300 . 2.800 2.215 1.991 2.602 . 0 0 "[ . 1 . 2 .]" 1
23 1 10 ASN HA 1 11 PRO HD3 2.300 . 2.800 2.343 2.161 2.812 0.012 16 0 "[ . 1 . 2 .]" 1
24 1 10 ASN HA 1 11 PRO QG 3.550 . 5.300 3.904 3.810 4.076 . 0 0 "[ . 1 . 2 .]" 1
25 1 10 ASN HB2 1 10 ASN HD21 2.650 . 3.500 2.708 2.250 3.357 . 0 0 "[ . 1 . 2 .]" 1
26 1 10 ASN HB2 1 10 ASN HD22 3.400 . 5.000 3.703 3.515 3.994 . 0 0 "[ . 1 . 2 .]" 1
27 1 10 ASN HB2 1 11 PRO HD2 3.400 . 5.000 4.322 2.898 4.866 . 0 0 "[ . 1 . 2 .]" 1
28 1 10 ASN HB3 1 10 ASN HD21 2.650 . 3.500 2.765 2.244 3.577 0.077 9 0 "[ . 1 . 2 .]" 1
29 1 10 ASN HB3 1 11 PRO HD2 3.400 . 5.000 3.592 2.049 4.917 . 0 0 "[ . 1 . 2 .]" 1
30 1 10 ASN HB3 1 13 ALA MB 3.650 . 5.500 3.258 1.865 4.515 . 0 0 "[ . 1 . 2 .]" 1
31 1 11 PRO HA 1 12 ASN H 2.650 . 3.500 3.459 2.842 3.546 0.046 5 0 "[ . 1 . 2 .]" 1
32 1 11 PRO HB2 1 12 ASN H 2.650 . 3.500 2.882 1.850 3.506 0.006 2 0 "[ . 1 . 2 .]" 1
33 1 11 PRO HB3 1 12 ASN H 3.400 . 5.000 3.896 3.204 4.248 . 0 0 "[ . 1 . 2 .]" 1
34 1 11 PRO HD2 1 12 ASN H 3.400 . 5.000 2.982 2.451 5.033 0.033 15 0 "[ . 1 . 2 .]" 1
35 1 12 ASN H 1 12 ASN HA 2.650 . 3.500 2.922 2.363 3.003 . 0 0 "[ . 1 . 2 .]" 1
36 1 12 ASN H 1 12 ASN HB2 2.650 . 3.500 2.624 1.987 3.574 0.074 18 0 "[ . 1 . 2 .]" 1
37 1 12 ASN H 1 12 ASN HB3 2.650 . 3.500 2.984 2.255 3.538 0.038 3 0 "[ . 1 . 2 .]" 1
38 1 12 ASN H 1 13 ALA H 2.650 . 3.500 2.780 1.926 3.466 . 0 0 "[ . 1 . 2 .]" 1
39 1 12 ASN HA 1 12 ASN HB2 2.650 . 3.500 2.688 2.396 3.032 . 0 0 "[ . 1 . 2 .]" 1
40 1 12 ASN HA 1 12 ASN HB3 2.650 . 3.500 2.855 2.414 3.037 . 0 0 "[ . 1 . 2 .]" 1
41 1 12 ASN HB2 1 12 ASN HD21 2.650 . 3.500 2.667 2.249 3.504 0.004 16 0 "[ . 1 . 2 .]" 1
42 1 12 ASN HB2 1 12 ASN HD22 3.400 . 5.000 3.687 3.514 4.066 . 0 0 "[ . 1 . 2 .]" 1
43 1 12 ASN HB2 1 13 ALA H 3.400 . 5.000 3.958 2.371 4.685 . 0 0 "[ . 1 . 2 .]" 1
44 1 12 ASN HB3 1 12 ASN HD21 3.400 . 5.000 3.127 2.247 3.621 . 0 0 "[ . 1 . 2 .]" 1
45 1 12 ASN HB3 1 12 ASN HD22 3.400 . 5.000 3.895 3.512 4.123 . 0 0 "[ . 1 . 2 .]" 1
46 1 12 ASN HB3 1 13 ALA H 3.400 . 5.000 3.560 1.874 4.673 . 0 0 "[ . 1 . 2 .]" 1
47 1 13 ALA H 1 13 ALA HA 2.650 . 3.500 2.681 2.362 3.002 . 0 0 "[ . 1 . 2 .]" 1
48 1 13 ALA H 1 13 ALA MB 2.900 . 4.000 2.531 1.983 2.860 . 0 0 "[ . 1 . 2 .]" 1
49 1 13 ALA HA 1 14 PHE H 2.650 . 3.500 2.833 2.227 3.509 0.009 25 0 "[ . 1 . 2 .]" 1
50 1 13 ALA MB 1 14 PHE H 3.650 . 5.500 2.581 1.849 3.720 . 0 0 "[ . 1 . 2 .]" 1
51 1 13 ALA MB 1 14 PHE HA 4.150 . 6.500 4.176 3.803 4.570 . 0 0 "[ . 1 . 2 .]" 1
52 1 13 ALA MB 1 14 PHE QD 4.400 . 7.000 4.200 2.319 5.351 . 0 0 "[ . 1 . 2 .]" 1
53 1 13 ALA MB 1 15 GLU H 4.150 . 6.500 4.755 3.028 5.352 . 0 0 "[ . 1 . 2 .]" 1
54 1 14 PHE H 1 14 PHE HA 2.650 . 3.500 2.884 2.361 3.004 . 0 0 "[ . 1 . 2 .]" 1
55 1 14 PHE H 1 14 PHE HB2 2.650 . 3.500 2.571 1.948 3.576 0.076 9 0 "[ . 1 . 2 .]" 1
56 1 14 PHE H 1 14 PHE HB3 2.650 . 3.500 3.174 2.246 3.533 0.033 4 0 "[ . 1 . 2 .]" 1
57 1 14 PHE H 1 14 PHE QD 3.650 . 5.500 3.262 1.867 4.436 . 0 0 "[ . 1 . 2 .]" 1
58 1 14 PHE H 1 15 GLU H 3.400 . 5.000 3.996 2.371 4.644 . 0 0 "[ . 1 . 2 .]" 1
59 1 14 PHE HA 1 14 PHE HB2 2.650 . 3.500 2.784 2.387 3.036 . 0 0 "[ . 1 . 2 .]" 1
60 1 14 PHE HA 1 14 PHE HB3 2.650 . 3.500 2.757 2.353 3.037 . 0 0 "[ . 1 . 2 .]" 1
61 1 14 PHE HA 1 14 PHE QD 3.650 . 5.500 2.736 1.953 3.704 . 0 0 "[ . 1 . 2 .]" 1
62 1 14 PHE HA 1 15 GLU H 2.300 . 2.800 2.413 2.210 2.833 0.033 14 0 "[ . 1 . 2 .]" 1
63 1 14 PHE HB2 1 15 GLU H 3.400 . 5.000 4.312 2.063 4.699 . 0 0 "[ . 1 . 2 .]" 1
64 1 14 PHE HB3 1 15 GLU H 3.400 . 5.000 4.029 3.245 4.688 . 0 0 "[ . 1 . 2 .]" 1
65 1 14 PHE QD 1 15 GLU H 4.150 . 6.500 3.805 1.872 4.901 . 0 0 "[ . 1 . 2 .]" 1
66 1 15 GLU H 1 15 GLU HA 2.650 . 3.500 2.867 2.364 3.003 . 0 0 "[ . 1 . 2 .]" 1
67 1 15 GLU H 1 15 GLU HB2 2.650 . 3.500 2.533 1.937 3.581 0.081 8 0 "[ . 1 . 2 .]" 1
68 1 15 GLU H 1 15 GLU HB3 2.650 . 3.500 3.206 2.437 3.587 0.087 21 0 "[ . 1 . 2 .]" 1
69 1 15 GLU H 1 15 GLU QG 3.550 . 5.300 3.304 1.858 4.245 . 0 0 "[ . 1 . 2 .]" 1
70 1 15 GLU HA 1 15 GLU HB2 2.650 . 3.500 2.789 2.439 3.038 . 0 0 "[ . 1 . 2 .]" 1
71 1 15 GLU HA 1 15 GLU HB3 2.650 . 3.500 2.786 2.480 3.036 . 0 0 "[ . 1 . 2 .]" 1
72 1 15 GLU HA 1 15 GLU QG 2.800 . 3.800 2.282 1.931 3.305 . 0 0 "[ . 1 . 2 .]" 1
73 1 15 GLU HA 1 16 THR H 2.300 . 2.800 2.566 2.241 3.075 0.275 17 0 "[ . 1 . 2 .]" 1
74 1 15 GLU HB2 1 16 THR H 3.400 . 5.000 3.744 1.962 4.362 . 0 0 "[ . 1 . 2 .]" 1
75 1 15 GLU HB3 1 15 GLU QG 2.450 . 3.100 2.350 2.168 2.546 . 0 0 "[ . 1 . 2 .]" 1
76 1 15 GLU HB3 1 16 THR H 2.650 . 3.500 2.945 2.167 3.683 0.183 17 0 "[ . 1 . 2 .]" 1
77 1 16 THR H 1 16 THR HB 2.300 . 2.800 2.779 2.728 2.816 0.016 11 0 "[ . 1 . 2 .]" 1
78 1 16 THR H 1 16 THR MG 3.650 . 5.500 3.706 3.616 3.820 . 0 0 "[ . 1 . 2 .]" 1
79 1 16 THR HA 1 16 THR MG 2.900 . 4.000 2.065 2.012 2.151 . 0 0 "[ . 1 . 2 .]" 1
80 1 16 THR HA 1 17 ASP H 2.300 . 2.800 2.769 2.674 2.828 0.028 12 0 "[ . 1 . 2 .]" 1
81 1 16 THR HB 1 17 ASP H 2.300 . 2.800 2.604 2.425 2.799 . 0 0 "[ . 1 . 2 .]" 1
82 1 16 THR MG 1 17 ASP H 3.650 . 5.500 1.882 1.808 2.009 . 0 0 "[ . 1 . 2 .]" 1
83 1 17 ASP H 1 17 ASP HA 2.650 . 3.500 2.757 2.363 3.002 . 0 0 "[ . 1 . 2 .]" 1
84 1 17 ASP H 1 17 ASP HB2 2.650 . 3.500 3.045 1.952 3.539 0.039 17 0 "[ . 1 . 2 .]" 1
85 1 17 ASP H 1 17 ASP HB3 2.650 . 3.500 2.831 2.255 3.726 0.226 10 0 "[ . 1 . 2 .]" 1
86 1 17 ASP HA 1 17 ASP HB2 2.650 . 3.500 2.615 2.374 3.038 . 0 0 "[ . 1 . 2 .]" 1
87 1 17 ASP HA 1 17 ASP HB3 2.650 . 3.500 2.633 2.329 3.038 . 0 0 "[ . 1 . 2 .]" 1
88 1 17 ASP HA 1 18 SER H 2.650 . 3.500 2.519 2.212 2.914 . 0 0 "[ . 1 . 2 .]" 1
89 1 17 ASP HB2 1 18 SER H 3.400 . 5.000 3.216 1.871 4.607 . 0 0 "[ . 1 . 2 .]" 1
90 1 17 ASP HB2 1 20 LEU HB2 3.400 . 5.000 3.658 1.872 5.015 0.015 11 0 "[ . 1 . 2 .]" 1
91 1 17 ASP HB2 1 20 LEU HG 3.400 . 5.000 4.259 3.085 5.002 0.002 9 0 "[ . 1 . 2 .]" 1
92 1 17 ASP HB3 1 18 SER H 3.400 . 5.000 3.527 1.867 4.568 . 0 0 "[ . 1 . 2 .]" 1
93 1 17 ASP HB3 1 20 LEU HB2 3.400 . 5.000 4.142 2.689 5.008 0.008 5 0 "[ . 1 . 2 .]" 1
94 1 17 ASP HB3 1 20 LEU MD2 4.150 . 6.500 3.369 1.837 5.123 . 0 0 "[ . 1 . 2 .]" 1
95 1 18 SER H 1 18 SER HA 2.650 . 3.500 2.925 2.762 2.999 . 0 0 "[ . 1 . 2 .]" 1
96 1 18 SER H 1 18 SER HB2 2.650 . 3.500 3.079 1.944 3.548 0.048 8 0 "[ . 1 . 2 .]" 1
97 1 18 SER H 1 18 SER HB3 2.650 . 3.500 2.944 2.014 3.372 . 0 0 "[ . 1 . 2 .]" 1
98 1 18 SER H 1 19 ASP H 2.650 . 3.500 2.892 2.080 3.502 0.002 16 0 "[ . 1 . 2 .]" 1
99 1 18 SER HA 1 18 SER HB2 2.300 . 2.800 2.664 2.285 2.858 0.058 7 0 "[ . 1 . 2 .]" 1
100 1 18 SER HA 1 18 SER HB3 2.300 . 2.800 2.526 2.265 2.855 0.055 13 0 "[ . 1 . 2 .]" 1
101 1 18 SER HA 1 19 ASP H 2.650 . 3.500 3.391 2.730 3.575 0.075 1 0 "[ . 1 . 2 .]" 1
102 1 18 SER HB2 1 19 ASP H 3.400 . 5.000 3.191 1.931 4.513 . 0 0 "[ . 1 . 2 .]" 1
103 1 18 SER HB3 1 19 ASP H 3.400 . 5.000 3.457 1.867 4.686 . 0 0 "[ . 1 . 2 .]" 1
104 1 19 ASP H 1 19 ASP HA 2.650 . 3.500 2.822 2.361 3.002 . 0 0 "[ . 1 . 2 .]" 1
105 1 19 ASP H 1 19 ASP QB 2.800 . 3.800 2.835 2.317 3.328 . 0 0 "[ . 1 . 2 .]" 1
106 1 19 ASP H 1 20 LEU H 2.650 . 3.500 2.822 2.281 3.509 0.009 11 0 "[ . 1 . 2 .]" 1
107 1 19 ASP HA 1 19 ASP QB 2.450 . 3.100 2.422 2.199 2.547 . 0 0 "[ . 1 . 2 .]" 1
108 1 19 ASP HA 1 20 LEU H 2.300 . 2.800 2.678 2.289 2.816 0.016 13 0 "[ . 1 . 2 .]" 1
109 1 19 ASP QB 1 20 LEU H 3.550 . 5.300 3.938 3.791 4.079 . 0 0 "[ . 1 . 2 .]" 1
110 1 20 LEU H 1 20 LEU HB2 2.300 . 2.800 2.154 2.040 2.226 . 0 0 "[ . 1 . 2 .]" 1
111 1 20 LEU H 1 20 LEU HB3 2.650 . 3.500 3.488 3.413 3.534 0.034 21 0 "[ . 1 . 2 .]" 1
112 1 20 LEU H 1 20 LEU MD2 3.650 . 5.500 2.015 1.773 2.370 0.027 17 0 "[ . 1 . 2 .]" 1
113 1 20 LEU H 1 20 LEU HG 3.400 . 5.000 3.905 3.711 4.087 . 0 0 "[ . 1 . 2 .]" 1
114 1 20 LEU HA 1 20 LEU HB2 2.650 . 3.500 3.012 2.981 3.029 . 0 0 "[ . 1 . 2 .]" 1
115 1 20 LEU HA 1 20 LEU HB3 2.650 . 3.500 2.626 2.564 2.706 . 0 0 "[ . 1 . 2 .]" 1
116 1 20 LEU HA 1 20 LEU MD1 2.900 . 4.000 1.856 1.804 1.943 . 0 0 "[ . 1 . 2 .]" 1
117 1 20 LEU HA 1 20 LEU MD2 2.900 . 4.000 2.488 2.025 2.757 . 0 0 "[ . 1 . 2 .]" 1
118 1 20 LEU HA 1 20 LEU HG 3.400 . 5.000 3.595 3.578 3.627 . 0 0 "[ . 1 . 2 .]" 1
119 1 20 LEU HA 1 21 PRO HD2 2.650 . 3.500 2.602 2.552 2.665 . 0 0 "[ . 1 . 2 .]" 1
120 1 20 LEU HA 1 21 PRO HD3 2.300 . 2.800 2.380 2.299 2.453 . 0 0 "[ . 1 . 2 .]" 1
121 1 20 LEU HB2 1 20 LEU MD2 2.900 . 4.000 2.287 2.178 2.484 . 0 0 "[ . 1 . 2 .]" 1
122 1 20 LEU HB2 1 20 LEU HG 2.300 . 2.800 2.484 2.414 2.529 . 0 0 "[ . 1 . 2 .]" 1
123 1 20 LEU HB2 1 21 PRO HD2 2.650 . 3.500 3.502 3.473 3.513 0.013 4 0 "[ . 1 . 2 .]" 1
124 1 20 LEU HB2 1 21 PRO HD3 3.400 . 5.000 4.598 4.561 4.639 . 0 0 "[ . 1 . 2 .]" 1
125 1 20 LEU HB2 1 24 TRP H 3.400 . 5.000 5.009 4.892 5.054 0.054 5 0 "[ . 1 . 2 .]" 1
126 1 20 LEU HB2 1 24 TRP HB2 3.400 . 5.000 4.115 3.849 4.298 . 0 0 "[ . 1 . 2 .]" 1
127 1 20 LEU HB2 1 24 TRP HB3 3.400 . 5.000 4.170 3.944 4.359 . 0 0 "[ . 1 . 2 .]" 1
128 1 20 LEU HB3 1 20 LEU HG 2.650 . 3.500 2.454 2.407 2.526 . 0 0 "[ . 1 . 2 .]" 1
129 1 20 LEU HB3 1 21 PRO HD2 2.650 . 3.500 1.853 1.835 1.867 . 0 0 "[ . 1 . 2 .]" 1
130 1 20 LEU HB3 1 21 PRO HD3 2.650 . 3.500 3.303 3.278 3.333 . 0 0 "[ . 1 . 2 .]" 1
131 1 20 LEU HB3 1 24 TRP H 3.400 . 5.000 4.158 3.900 4.428 . 0 0 "[ . 1 . 2 .]" 1
132 1 20 LEU HB3 1 24 TRP HB2 2.650 . 3.500 2.648 2.510 2.740 . 0 0 "[ . 1 . 2 .]" 1
133 1 20 LEU HB3 1 24 TRP HB3 2.650 . 3.500 2.780 2.522 3.076 . 0 0 "[ . 1 . 2 .]" 1
134 1 20 LEU HB3 1 24 TRP HD1 3.400 . 5.000 4.917 4.552 5.016 0.016 7 0 "[ . 1 . 2 .]" 1
135 1 20 LEU MD1 1 21 PRO HD2 3.650 . 5.500 1.929 1.787 2.200 0.013 19 0 "[ . 1 . 2 .]" 1
136 1 20 LEU MD1 1 21 PRO HD3 3.650 . 5.500 2.358 2.014 2.620 . 0 0 "[ . 1 . 2 .]" 1
137 1 20 LEU MD1 1 21 PRO HG2 3.650 . 5.500 3.888 3.488 4.219 . 0 0 "[ . 1 . 2 .]" 1
138 1 20 LEU MD1 1 24 TRP HB2 3.650 . 5.500 3.753 3.176 4.141 . 0 0 "[ . 1 . 2 .]" 1
139 1 20 LEU MD1 1 24 TRP HB3 3.650 . 5.500 3.184 2.398 3.660 . 0 0 "[ . 1 . 2 .]" 1
140 1 20 LEU MD1 1 35 TYR HB3 4.150 . 6.500 4.262 3.346 4.951 . 0 0 "[ . 1 . 2 .]" 1
141 1 20 LEU MD1 1 35 TYR QD 4.400 . 7.000 3.002 2.368 3.776 . 0 0 "[ . 1 . 2 .]" 1
142 1 20 LEU MD1 1 35 TYR QE 3.900 . 6.000 2.412 1.812 3.680 . 0 0 "[ . 1 . 2 .]" 1
143 1 20 LEU MD1 1 47 PRO HA 4.150 . 6.500 2.587 1.969 3.170 . 0 0 "[ . 1 . 2 .]" 1
144 1 20 LEU MD1 1 47 PRO HB3 4.150 . 6.500 2.992 2.017 3.966 . 0 0 "[ . 1 . 2 .]" 1
145 1 20 LEU HG 1 24 TRP HB2 3.400 . 5.000 4.432 4.106 4.592 . 0 0 "[ . 1 . 2 .]" 1
146 1 20 LEU HG 1 24 TRP HB3 2.650 . 3.500 3.488 3.418 3.520 0.020 20 0 "[ . 1 . 2 .]" 1
147 1 20 LEU HG 1 35 TYR HB3 3.400 . 5.000 4.733 4.198 5.015 0.015 8 0 "[ . 1 . 2 .]" 1
148 1 20 LEU HG 1 35 TYR QD 3.650 . 5.500 2.722 2.439 3.569 . 0 0 "[ . 1 . 2 .]" 1
149 1 20 LEU HG 1 35 TYR QE 3.650 . 5.500 2.632 1.860 3.968 . 0 0 "[ . 1 . 2 .]" 1
150 1 21 PRO HA 1 22 ALA H 2.300 . 2.800 2.774 2.524 2.832 0.032 3 0 "[ . 1 . 2 .]" 1
151 1 21 PRO HB2 1 22 ALA H 2.650 . 3.500 2.011 1.878 2.559 . 0 0 "[ . 1 . 2 .]" 1
152 1 21 PRO HB2 1 24 TRP HD1 2.650 . 3.500 3.014 2.836 3.300 . 0 0 "[ . 1 . 2 .]" 1
153 1 21 PRO HB3 1 22 ALA H 2.650 . 3.500 3.260 3.209 3.493 . 0 0 "[ . 1 . 2 .]" 1
154 1 21 PRO HB3 1 24 TRP HD1 3.400 . 5.000 4.300 4.141 4.535 . 0 0 "[ . 1 . 2 .]" 1
155 1 21 PRO HD2 1 24 TRP HB2 3.400 . 5.000 2.529 2.358 2.770 . 0 0 "[ . 1 . 2 .]" 1
156 1 21 PRO HD2 1 48 PRO HB2 3.400 . 5.000 4.607 4.036 5.008 0.008 13 0 "[ . 1 . 2 .]" 1
157 1 21 PRO HD2 1 48 PRO HD2 3.400 . 5.000 3.488 3.159 3.883 . 0 0 "[ . 1 . 2 .]" 1
158 1 21 PRO HD2 1 48 PRO HD3 3.400 . 5.000 4.837 4.428 5.030 0.030 25 0 "[ . 1 . 2 .]" 1
159 1 21 PRO HD2 1 48 PRO HG2 3.400 . 5.000 2.628 2.101 2.955 . 0 0 "[ . 1 . 2 .]" 1
160 1 21 PRO HD2 1 48 PRO HG3 3.400 . 5.000 3.922 3.315 4.563 . 0 0 "[ . 1 . 2 .]" 1
161 1 21 PRO HD3 1 24 TRP HD1 3.400 . 5.000 4.808 4.736 4.887 . 0 0 "[ . 1 . 2 .]" 1
162 1 21 PRO HG2 1 24 TRP HD1 3.400 . 5.000 1.866 1.849 1.917 . 0 0 "[ . 1 . 2 .]" 1
163 1 21 PRO HG2 1 48 PRO HB2 3.400 . 5.000 4.053 3.356 4.626 . 0 0 "[ . 1 . 2 .]" 1
164 1 21 PRO HG3 1 24 TRP HD1 3.400 . 5.000 3.179 2.974 3.394 . 0 0 "[ . 1 . 2 .]" 1
165 1 22 ALA H 1 22 ALA HA 2.650 . 3.500 2.960 2.916 2.979 . 0 0 "[ . 1 . 2 .]" 1
166 1 22 ALA H 1 22 ALA MB 2.900 . 4.000 2.091 1.988 2.253 . 0 0 "[ . 1 . 2 .]" 1
167 1 22 ALA H 1 24 TRP HD1 3.400 . 5.000 4.169 3.855 4.793 . 0 0 "[ . 1 . 2 .]" 1
168 1 22 ALA HA 1 23 GLY H 2.300 . 2.800 2.204 2.193 2.224 . 0 0 "[ . 1 . 2 .]" 1
169 1 22 ALA HA 1 24 TRP H 2.650 . 3.500 3.503 3.379 3.568 0.068 24 0 "[ . 1 . 2 .]" 1
170 1 22 ALA MB 1 23 GLY H 3.650 . 5.500 3.309 3.119 3.395 . 0 0 "[ . 1 . 2 .]" 1
171 1 23 GLY H 1 23 GLY HA2 2.650 . 3.500 2.436 2.382 2.494 . 0 0 "[ . 1 . 2 .]" 1
172 1 23 GLY H 1 23 GLY HA3 2.650 . 3.500 2.976 2.949 2.992 . 0 0 "[ . 1 . 2 .]" 1
173 1 23 GLY H 1 24 TRP H 2.650 . 3.500 2.301 2.052 2.759 . 0 0 "[ . 1 . 2 .]" 1
174 1 23 GLY HA2 1 38 ILE HB 3.400 . 5.000 2.554 2.126 2.949 . 0 0 "[ . 1 . 2 .]" 1
175 1 23 GLY HA2 1 38 ILE MD 4.150 . 6.500 2.949 2.127 4.688 . 0 0 "[ . 1 . 2 .]" 1
176 1 23 GLY HA3 1 24 TRP H 2.650 . 3.500 3.312 3.104 3.389 . 0 0 "[ . 1 . 2 .]" 1
177 1 23 GLY HA3 1 38 ILE HB 2.650 . 3.500 3.529 3.094 3.571 0.071 18 0 "[ . 1 . 2 .]" 1
178 1 23 GLY HA3 1 38 ILE MD 4.150 . 6.500 4.363 3.596 5.510 . 0 0 "[ . 1 . 2 .]" 1
179 1 23 GLY HA3 1 39 PRO QD 3.550 . 5.300 2.452 2.085 2.749 . 0 0 "[ . 1 . 2 .]" 1
180 1 24 TRP H 1 24 TRP HA 2.650 . 3.500 2.995 2.960 3.004 . 0 0 "[ . 1 . 2 .]" 1
181 1 24 TRP H 1 24 TRP HB2 2.300 . 2.800 2.273 2.107 2.344 . 0 0 "[ . 1 . 2 .]" 1
182 1 24 TRP H 1 24 TRP HB3 2.650 . 3.500 3.535 3.454 3.596 0.096 15 0 "[ . 1 . 2 .]" 1
183 1 24 TRP H 1 24 TRP HD1 2.650 . 3.500 3.414 3.031 3.550 0.050 12 0 "[ . 1 . 2 .]" 1
184 1 24 TRP HA 1 24 TRP HB2 2.650 . 3.500 2.998 2.986 3.014 . 0 0 "[ . 1 . 2 .]" 1
185 1 24 TRP HA 1 24 TRP HB3 2.650 . 3.500 2.655 2.599 2.683 . 0 0 "[ . 1 . 2 .]" 1
186 1 24 TRP HA 1 24 TRP HD1 3.400 . 5.000 4.023 3.934 4.141 . 0 0 "[ . 1 . 2 .]" 1
187 1 24 TRP HA 1 24 TRP HE3 3.400 . 5.000 2.922 2.731 3.099 . 0 0 "[ . 1 . 2 .]" 1
188 1 24 TRP HA 1 25 MET H 2.650 . 3.500 2.236 2.200 2.269 . 0 0 "[ . 1 . 2 .]" 1
189 1 24 TRP HA 1 37 HIS HA 2.300 . 2.800 2.703 2.579 2.822 0.022 14 0 "[ . 1 . 2 .]" 1
190 1 24 TRP HA 1 37 HIS HB2 3.400 . 5.000 4.976 4.815 5.057 0.057 23 0 "[ . 1 . 2 .]" 1
191 1 24 TRP HA 1 38 ILE H 2.650 . 3.500 3.223 3.056 3.439 . 0 0 "[ . 1 . 2 .]" 1
192 1 24 TRP HA 1 38 ILE HG13 3.400 . 5.000 3.722 3.291 5.009 0.009 22 0 "[ . 1 . 2 .]" 1
193 1 24 TRP HB2 1 24 TRP HD1 3.400 . 5.000 2.572 2.549 2.601 . 0 0 "[ . 1 . 2 .]" 1
194 1 24 TRP HB2 1 24 TRP HE3 3.400 . 5.000 4.217 4.195 4.233 . 0 0 "[ . 1 . 2 .]" 1
195 1 24 TRP HB2 1 25 MET H 3.400 . 5.000 4.383 4.285 4.561 . 0 0 "[ . 1 . 2 .]" 1
196 1 24 TRP HB2 1 48 PRO HG3 3.400 . 5.000 4.220 3.694 4.717 . 0 0 "[ . 1 . 2 .]" 1
197 1 24 TRP HB3 1 24 TRP HD1 3.400 . 5.000 3.733 3.697 3.771 . 0 0 "[ . 1 . 2 .]" 1
198 1 24 TRP HB3 1 24 TRP HE3 2.650 . 3.500 2.771 2.707 2.822 . 0 0 "[ . 1 . 2 .]" 1
199 1 24 TRP HB3 1 25 MET H 3.400 . 5.000 3.380 3.189 3.840 . 0 0 "[ . 1 . 2 .]" 1
200 1 24 TRP HB3 1 37 HIS HA 3.400 . 5.000 4.978 4.793 5.063 0.063 8 0 "[ . 1 . 2 .]" 1
201 1 24 TRP HB3 1 48 PRO HG3 3.400 . 5.000 3.381 2.849 3.874 . 0 0 "[ . 1 . 2 .]" 1
202 1 24 TRP HE3 1 25 MET H 3.400 . 5.000 3.151 2.931 3.734 . 0 0 "[ . 1 . 2 .]" 1
203 1 24 TRP HE3 1 35 TYR HA 3.400 . 5.000 4.058 3.695 4.445 . 0 0 "[ . 1 . 2 .]" 1
204 1 24 TRP HE3 1 35 TYR HB2 3.400 . 5.000 3.254 2.823 3.594 . 0 0 "[ . 1 . 2 .]" 1
205 1 24 TRP HE3 1 35 TYR HB3 2.650 . 3.500 1.971 1.862 2.253 . 0 0 "[ . 1 . 2 .]" 1
206 1 24 TRP HE3 1 35 TYR QD 4.150 . 6.500 3.679 3.052 4.133 . 0 0 "[ . 1 . 2 .]" 1
207 1 24 TRP HE3 1 36 TRP H 3.400 . 5.000 3.699 3.227 4.122 . 0 0 "[ . 1 . 2 .]" 1
208 1 24 TRP HE3 1 36 TRP HA 3.900 . 6.000 4.692 4.414 5.009 . 0 0 "[ . 1 . 2 .]" 1
209 1 24 TRP HE3 1 37 HIS HA 3.900 . 6.000 3.670 3.498 4.038 . 0 0 "[ . 1 . 2 .]" 1
210 1 24 TRP HE3 1 48 PRO HB2 3.900 . 6.000 5.819 5.427 5.999 . 0 0 "[ . 1 . 2 .]" 1
211 1 24 TRP HH2 1 37 HIS HB2 3.400 . 5.000 3.225 2.798 3.942 . 0 0 "[ . 1 . 2 .]" 1
212 1 24 TRP HH2 1 42 THR HB 3.400 . 5.000 3.623 3.128 4.375 . 0 0 "[ . 1 . 2 .]" 1
213 1 24 TRP HH2 1 42 THR MG 3.650 . 5.500 4.011 3.864 4.131 . 0 0 "[ . 1 . 2 .]" 1
214 1 24 TRP HH2 1 44 GLN HG2 3.900 . 6.000 3.398 2.961 3.858 . 0 0 "[ . 1 . 2 .]" 1
215 1 24 TRP HH2 1 44 GLN HG3 3.400 . 5.000 2.054 1.866 2.581 . 0 0 "[ . 1 . 2 .]" 1
216 1 24 TRP HZ2 1 37 HIS HB2 3.900 . 6.000 4.182 3.644 4.690 . 0 0 "[ . 1 . 2 .]" 1
217 1 24 TRP HZ2 1 42 THR MG 4.150 . 6.500 5.298 5.253 5.351 . 0 0 "[ . 1 . 2 .]" 1
218 1 24 TRP HZ2 1 48 PRO HB2 3.900 . 6.000 4.714 4.237 5.347 . 0 0 "[ . 1 . 2 .]" 1
219 1 24 TRP HZ2 1 48 PRO HB3 3.900 . 6.000 4.155 3.694 4.699 . 0 0 "[ . 1 . 2 .]" 1
220 1 24 TRP HZ3 1 35 TYR HB2 3.400 . 5.000 2.777 2.469 3.085 . 0 0 "[ . 1 . 2 .]" 1
221 1 24 TRP HZ3 1 35 TYR HB3 3.400 . 5.000 2.950 2.647 3.495 . 0 0 "[ . 1 . 2 .]" 1
222 1 24 TRP HZ3 1 36 TRP HA 3.400 . 5.000 4.211 3.757 4.769 . 0 0 "[ . 1 . 2 .]" 1
223 1 24 TRP HZ3 1 37 HIS HB2 3.400 . 5.000 3.329 3.035 3.876 . 0 0 "[ . 1 . 2 .]" 1
224 1 24 TRP HZ3 1 42 THR HB 3.900 . 6.000 5.059 4.407 5.976 . 0 0 "[ . 1 . 2 .]" 1
225 1 24 TRP HZ3 1 42 THR MG 4.150 . 6.500 5.250 4.984 5.343 . 0 0 "[ . 1 . 2 .]" 1
226 1 24 TRP HZ3 1 43 THR HA 3.400 . 5.000 3.465 3.144 3.810 . 0 0 "[ . 1 . 2 .]" 1
227 1 24 TRP HZ3 1 44 GLN H 3.400 . 5.000 3.344 2.905 3.767 . 0 0 "[ . 1 . 2 .]" 1
228 1 24 TRP HZ3 1 44 GLN HG2 3.400 . 5.000 4.189 3.678 4.779 . 0 0 "[ . 1 . 2 .]" 1
229 1 24 TRP HZ3 1 44 GLN HG3 3.400 . 5.000 2.545 1.940 3.209 . 0 0 "[ . 1 . 2 .]" 1
230 1 25 MET H 1 25 MET HB2 3.400 . 5.000 2.633 2.483 2.968 . 0 0 "[ . 1 . 2 .]" 1
231 1 25 MET H 1 25 MET HB3 3.400 . 5.000 3.456 2.316 3.729 . 0 0 "[ . 1 . 2 .]" 1
232 1 25 MET H 1 25 MET QG 3.550 . 5.300 2.715 2.172 4.120 . 0 0 "[ . 1 . 2 .]" 1
233 1 25 MET H 1 36 TRP HB3 3.400 . 5.000 3.465 3.056 3.685 . 0 0 "[ . 1 . 2 .]" 1
234 1 25 MET H 1 37 HIS HA 3.400 . 5.000 3.765 3.401 4.041 . 0 0 "[ . 1 . 2 .]" 1
235 1 25 MET HA 1 25 MET HB2 2.650 . 3.500 2.916 2.429 3.036 . 0 0 "[ . 1 . 2 .]" 1
236 1 25 MET HA 1 25 MET HB3 2.650 . 3.500 2.545 2.401 3.033 . 0 0 "[ . 1 . 2 .]" 1
237 1 25 MET HA 1 26 ARG H 2.300 . 2.800 2.432 2.399 2.477 . 0 0 "[ . 1 . 2 .]" 1
238 1 25 MET HB2 1 26 ARG H 2.650 . 3.500 3.571 3.505 3.773 0.273 15 0 "[ . 1 . 2 .]" 1
239 1 25 MET HB2 1 27 VAL MG2 3.650 . 5.500 3.356 2.974 4.443 . 0 0 "[ . 1 . 2 .]" 1
240 1 25 MET HB2 1 36 TRP HB2 3.400 . 5.000 3.892 3.513 5.107 0.107 13 0 "[ . 1 . 2 .]" 1
241 1 25 MET HB2 1 36 TRP HB3 3.400 . 5.000 2.176 1.842 3.392 . 0 0 "[ . 1 . 2 .]" 1
242 1 25 MET HB2 1 36 TRP HE3 3.400 . 5.000 3.163 2.390 4.269 . 0 0 "[ . 1 . 2 .]" 1
243 1 25 MET HB2 1 38 ILE MD 3.650 . 5.500 3.943 2.407 4.494 . 0 0 "[ . 1 . 2 .]" 1
244 1 25 MET HB2 1 38 ILE HG12 3.400 . 5.000 4.328 3.646 4.643 . 0 0 "[ . 1 . 2 .]" 1
245 1 25 MET HB3 1 26 ARG H 2.650 . 3.500 2.788 2.517 3.555 0.055 14 0 "[ . 1 . 2 .]" 1
246 1 25 MET HB3 1 27 VAL MG2 3.650 . 5.500 3.324 3.008 3.472 . 0 0 "[ . 1 . 2 .]" 1
247 1 25 MET HB3 1 36 TRP HB2 3.400 . 5.000 4.724 3.445 5.051 0.051 5 0 "[ . 1 . 2 .]" 1
248 1 25 MET HB3 1 36 TRP HB3 3.400 . 5.000 3.119 1.811 3.504 . 0 0 "[ . 1 . 2 .]" 1
249 1 25 MET HB3 1 36 TRP HE3 3.400 . 5.000 3.367 2.853 3.869 . 0 0 "[ . 1 . 2 .]" 1
250 1 25 MET HB3 1 38 ILE MD 3.650 . 5.500 4.129 3.583 4.364 . 0 0 "[ . 1 . 2 .]" 1
251 1 25 MET HB3 1 38 ILE HG12 3.400 . 5.000 4.936 4.393 5.065 0.065 18 0 "[ . 1 . 2 .]" 1
252 1 25 MET QG 1 26 ARG H 3.550 . 5.300 3.884 1.752 4.489 0.048 13 0 "[ . 1 . 2 .]" 1
253 1 25 MET QG 1 27 VAL MG2 3.800 . 5.800 3.953 2.296 4.387 . 0 0 "[ . 1 . 2 .]" 1
254 1 25 MET QG 1 36 TRP HB2 3.550 . 5.300 4.620 4.359 4.815 . 0 0 "[ . 1 . 2 .]" 1
255 1 25 MET QG 1 36 TRP HB3 3.550 . 5.300 3.213 2.899 3.472 . 0 0 "[ . 1 . 2 .]" 1
256 1 25 MET QG 1 36 TRP HE3 4.050 . 6.300 3.035 2.280 3.769 . 0 0 "[ . 1 . 2 .]" 1
257 1 25 MET QG 1 38 ILE MD 3.800 . 5.800 2.437 1.780 4.066 0.020 7 0 "[ . 1 . 2 .]" 1
258 1 25 MET QG 1 38 ILE HG12 4.050 . 6.300 2.945 2.138 5.550 . 0 0 "[ . 1 . 2 .]" 1
259 1 25 MET QG 1 38 ILE HG13 3.550 . 5.300 2.580 1.845 4.825 . 0 0 "[ . 1 . 2 .]" 1
260 1 26 ARG H 1 26 ARG HA 2.650 . 3.500 3.003 3.001 3.005 . 0 0 "[ . 1 . 2 .]" 1
261 1 26 ARG H 1 26 ARG HB2 2.650 . 3.500 2.908 2.715 3.186 . 0 0 "[ . 1 . 2 .]" 1
262 1 26 ARG H 1 26 ARG HB3 2.650 . 3.500 2.587 2.373 2.758 . 0 0 "[ . 1 . 2 .]" 1
263 1 26 ARG H 1 26 ARG QG 3.550 . 5.300 4.014 3.845 4.083 . 0 0 "[ . 1 . 2 .]" 1
264 1 26 ARG HA 1 26 ARG HB2 2.650 . 3.500 2.515 2.379 2.617 . 0 0 "[ . 1 . 2 .]" 1
265 1 26 ARG HA 1 26 ARG HB3 2.650 . 3.500 3.031 3.016 3.040 . 0 0 "[ . 1 . 2 .]" 1
266 1 26 ARG HA 1 26 ARG HD2 3.400 . 5.000 4.360 3.776 4.709 . 0 0 "[ . 1 . 2 .]" 1
267 1 26 ARG HA 1 26 ARG QG 2.800 . 3.800 2.359 2.106 2.588 . 0 0 "[ . 1 . 2 .]" 1
268 1 26 ARG HA 1 27 VAL H 2.300 . 2.800 2.248 2.229 2.270 . 0 0 "[ . 1 . 2 .]" 1
269 1 26 ARG HA 1 27 VAL HB 3.400 . 5.000 4.798 4.678 4.882 . 0 0 "[ . 1 . 2 .]" 1
270 1 26 ARG HA 1 27 VAL MG2 3.650 . 5.500 3.523 3.363 3.720 . 0 0 "[ . 1 . 2 .]" 1
271 1 26 ARG HA 1 35 TYR HA 2.650 . 3.500 2.547 2.293 2.851 . 0 0 "[ . 1 . 2 .]" 1
272 1 26 ARG HA 1 35 TYR QD 3.650 . 5.500 3.015 1.933 3.914 . 0 0 "[ . 1 . 2 .]" 1
273 1 26 ARG HA 1 35 TYR QE 3.650 . 5.500 3.889 3.221 4.469 . 0 0 "[ . 1 . 2 .]" 1
274 1 26 ARG HA 1 36 TRP H 3.400 . 5.000 3.780 3.484 3.984 . 0 0 "[ . 1 . 2 .]" 1
275 1 26 ARG HB2 1 26 ARG HD2 2.650 . 3.500 2.640 2.112 3.336 . 0 0 "[ . 1 . 2 .]" 1
276 1 26 ARG HB2 1 26 ARG HD3 2.650 . 3.500 3.011 2.600 3.503 0.003 17 0 "[ . 1 . 2 .]" 1
277 1 26 ARG HB2 1 27 VAL H 3.400 . 5.000 4.549 4.408 4.633 . 0 0 "[ . 1 . 2 .]" 1
278 1 26 ARG HB2 1 35 TYR QD 4.150 . 6.500 3.573 2.823 4.305 . 0 0 "[ . 1 . 2 .]" 1
279 1 26 ARG HB2 1 35 TYR QE 3.650 . 5.500 3.240 2.445 3.932 . 0 0 "[ . 1 . 2 .]" 1
280 1 26 ARG HB3 1 26 ARG HD2 2.650 . 3.500 3.148 2.607 3.517 0.017 19 0 "[ . 1 . 2 .]" 1
281 1 26 ARG HB3 1 26 ARG HD3 2.650 . 3.500 2.569 2.129 3.239 . 0 0 "[ . 1 . 2 .]" 1
282 1 26 ARG HB3 1 27 VAL H 3.400 . 5.000 4.387 4.266 4.535 . 0 0 "[ . 1 . 2 .]" 1
283 1 26 ARG HB3 1 35 TYR QE 4.150 . 6.500 4.809 4.175 5.460 . 0 0 "[ . 1 . 2 .]" 1
284 1 26 ARG HD2 1 33 THR MG 3.650 . 5.500 3.844 3.030 4.363 . 0 0 "[ . 1 . 2 .]" 1
285 1 26 ARG HD2 1 35 TYR QE 3.650 . 5.500 3.525 2.271 4.764 . 0 0 "[ . 1 . 2 .]" 1
286 1 26 ARG HD3 1 33 THR MG 3.650 . 5.500 3.729 3.033 4.186 . 0 0 "[ . 1 . 2 .]" 1
287 1 26 ARG HD3 1 35 TYR QE 4.150 . 6.500 4.746 3.863 5.534 . 0 0 "[ . 1 . 2 .]" 1
288 1 26 ARG QG 1 27 VAL H 3.550 . 5.300 3.285 3.053 3.449 . 0 0 "[ . 1 . 2 .]" 1
289 1 26 ARG QG 1 27 VAL HA 3.550 . 5.300 4.164 3.704 4.525 . 0 0 "[ . 1 . 2 .]" 1
290 1 26 ARG QG 1 34 TYR H 3.550 . 5.300 4.682 4.493 4.802 . 0 0 "[ . 1 . 2 .]" 1
291 1 26 ARG QG 1 35 TYR HA 3.550 . 5.300 4.223 3.930 4.572 . 0 0 "[ . 1 . 2 .]" 1
292 1 26 ARG QG 1 35 TYR QE 3.800 . 5.800 3.087 1.997 3.864 . 0 0 "[ . 1 . 2 .]" 1
293 1 27 VAL H 1 27 VAL HA 2.650 . 3.500 2.996 2.990 3.004 . 0 0 "[ . 1 . 2 .]" 1
294 1 27 VAL H 1 27 VAL HB 2.650 . 3.500 2.583 2.451 2.659 . 0 0 "[ . 1 . 2 .]" 1
295 1 27 VAL H 1 27 VAL MG2 2.900 . 4.000 2.297 2.071 2.523 . 0 0 "[ . 1 . 2 .]" 1
296 1 27 VAL H 1 33 THR MG 4.150 . 6.500 3.439 3.222 3.640 . 0 0 "[ . 1 . 2 .]" 1
297 1 27 VAL H 1 34 TYR H 2.650 . 3.500 3.501 3.420 3.533 0.033 5 0 "[ . 1 . 2 .]" 1
298 1 27 VAL H 1 35 TYR HA 3.400 . 5.000 3.024 2.750 3.333 . 0 0 "[ . 1 . 2 .]" 1
299 1 27 VAL HA 1 27 VAL HB 2.650 . 3.500 3.022 3.007 3.030 . 0 0 "[ . 1 . 2 .]" 1
300 1 27 VAL HA 1 27 VAL MG1 2.900 . 4.000 2.207 2.108 2.305 . 0 0 "[ . 1 . 2 .]" 1
301 1 27 VAL HA 1 27 VAL MG2 2.900 . 4.000 2.441 2.316 2.527 . 0 0 "[ . 1 . 2 .]" 1
302 1 27 VAL HA 1 28 GLN H 2.300 . 2.800 2.395 2.287 2.458 . 0 0 "[ . 1 . 2 .]" 1
303 1 27 VAL HB 1 28 GLN H 2.650 . 3.500 3.554 3.518 3.651 0.151 12 0 "[ . 1 . 2 .]" 1
304 1 27 VAL HB 1 34 TYR H 2.650 . 3.500 3.491 3.406 3.537 0.037 21 0 "[ . 1 . 2 .]" 1
305 1 27 VAL HB 1 34 TYR QD 4.150 . 6.500 3.471 3.367 3.545 . 0 0 "[ . 1 . 2 .]" 1
306 1 27 VAL HB 1 34 TYR QE 3.650 . 5.500 2.616 2.485 2.783 . 0 0 "[ . 1 . 2 .]" 1
307 1 27 VAL HB 1 36 TRP HB2 3.400 . 5.000 4.276 3.973 4.620 . 0 0 "[ . 1 . 2 .]" 1
308 1 27 VAL MG1 1 28 GLN H 2.900 . 4.000 1.953 1.840 2.103 . 0 0 "[ . 1 . 2 .]" 1
309 1 27 VAL MG1 1 28 GLN HA 3.650 . 5.500 3.994 3.770 4.155 . 0 0 "[ . 1 . 2 .]" 1
310 1 27 VAL MG1 1 29 ASP H 3.650 . 5.500 3.669 3.362 4.156 . 0 0 "[ . 1 . 2 .]" 1
311 1 27 VAL MG1 1 29 ASP HB2 3.650 . 5.500 3.941 3.689 4.490 . 0 0 "[ . 1 . 2 .]" 1
312 1 27 VAL MG1 1 29 ASP HB3 4.150 . 6.500 5.131 3.484 5.286 . 0 0 "[ . 1 . 2 .]" 1
313 1 27 VAL MG1 1 33 THR HA 4.150 . 6.500 4.839 4.617 4.963 . 0 0 "[ . 1 . 2 .]" 1
314 1 27 VAL MG1 1 34 TYR H 3.650 . 5.500 4.472 4.200 4.569 . 0 0 "[ . 1 . 2 .]" 1
315 1 27 VAL MG1 1 34 TYR QD 4.400 . 7.000 4.086 3.709 4.260 . 0 0 "[ . 1 . 2 .]" 1
316 1 27 VAL MG1 1 34 TYR QE 3.900 . 6.000 2.484 2.036 2.755 . 0 0 "[ . 1 . 2 .]" 1
317 1 27 VAL MG2 1 35 TYR HA 3.650 . 5.500 3.614 3.129 4.023 . 0 0 "[ . 1 . 2 .]" 1
318 1 27 VAL MG2 1 36 TRP H 4.150 . 6.500 3.057 2.686 3.462 . 0 0 "[ . 1 . 2 .]" 1
319 1 27 VAL MG2 1 36 TRP HB2 2.900 . 4.000 2.423 2.140 2.661 . 0 0 "[ . 1 . 2 .]" 1
320 1 27 VAL MG2 1 36 TRP HB3 3.650 . 5.500 2.637 2.415 3.028 . 0 0 "[ . 1 . 2 .]" 1
321 1 27 VAL MG2 1 36 TRP HE3 3.650 . 5.500 3.038 2.813 3.297 . 0 0 "[ . 1 . 2 .]" 1
322 1 27 VAL MG2 1 36 TRP HZ3 4.150 . 6.500 4.734 4.504 5.033 . 0 0 "[ . 1 . 2 .]" 1
323 1 28 GLN H 1 28 GLN HA 2.650 . 3.500 3.000 2.992 3.003 . 0 0 "[ . 1 . 2 .]" 1
324 1 28 GLN H 1 28 GLN HB2 2.650 . 3.500 2.745 2.292 3.605 0.105 12 0 "[ . 1 . 2 .]" 1
325 1 28 GLN H 1 28 GLN HB3 2.650 . 3.500 3.084 2.475 3.502 0.002 14 0 "[ . 1 . 2 .]" 1
326 1 28 GLN H 1 28 GLN QG 3.550 . 5.300 3.460 1.794 4.090 0.006 6 0 "[ . 1 . 2 .]" 1
327 1 28 GLN HA 1 28 GLN HB2 2.650 . 3.500 2.728 2.448 2.977 . 0 0 "[ . 1 . 2 .]" 1
328 1 28 GLN HA 1 28 GLN HB3 2.650 . 3.500 2.794 2.338 3.038 . 0 0 "[ . 1 . 2 .]" 1
329 1 28 GLN HA 1 28 GLN QG 2.800 . 3.800 2.349 1.935 3.385 . 0 0 "[ . 1 . 2 .]" 1
330 1 28 GLN HA 1 29 ASP H 2.300 . 2.800 2.361 2.231 2.445 . 0 0 "[ . 1 . 2 .]" 1
331 1 28 GLN HA 1 33 THR HA 2.300 . 2.800 1.862 1.830 1.930 . 0 0 "[ . 1 . 2 .]" 1
332 1 28 GLN HA 1 33 THR HB 3.400 . 5.000 4.407 4.227 4.538 . 0 0 "[ . 1 . 2 .]" 1
333 1 28 GLN HA 1 33 THR MG 3.650 . 5.500 2.853 2.301 3.363 . 0 0 "[ . 1 . 2 .]" 1
334 1 28 GLN HA 1 34 TYR H 2.650 . 3.500 3.485 3.395 3.538 0.038 7 0 "[ . 1 . 2 .]" 1
335 1 28 GLN HB2 1 29 ASP H 3.400 . 5.000 4.556 3.999 4.700 . 0 0 "[ . 1 . 2 .]" 1
336 1 28 GLN HB2 1 33 THR HA 3.400 . 5.000 4.326 3.866 4.766 . 0 0 "[ . 1 . 2 .]" 1
337 1 28 GLN HB2 1 33 THR MG 4.150 . 6.500 3.662 2.355 4.596 . 0 0 "[ . 1 . 2 .]" 1
338 1 28 GLN HB3 1 29 ASP H 3.400 . 5.000 4.335 3.905 4.596 . 0 0 "[ . 1 . 2 .]" 1
339 1 28 GLN HE22 1 28 GLN QG 3.550 . 5.300 3.351 3.272 3.525 . 0 0 "[ . 1 . 2 .]" 1
340 1 28 GLN HE22 1 33 THR MG 4.150 . 6.500 4.519 3.503 5.264 . 0 0 "[ . 1 . 2 .]" 1
341 1 28 GLN QG 1 29 ASP H 3.550 . 5.300 3.985 3.355 4.420 . 0 0 "[ . 1 . 2 .]" 1
342 1 28 GLN QG 1 33 THR HA 3.550 . 5.300 3.358 2.585 4.821 . 0 0 "[ . 1 . 2 .]" 1
343 1 28 GLN QG 1 33 THR MG 3.800 . 5.800 2.959 1.856 4.200 . 0 0 "[ . 1 . 2 .]" 1
344 1 29 ASP H 1 29 ASP HB2 2.650 . 3.500 2.101 1.936 3.506 0.006 12 0 "[ . 1 . 2 .]" 1
345 1 29 ASP H 1 29 ASP HB3 2.650 . 3.500 3.118 2.221 3.220 . 0 0 "[ . 1 . 2 .]" 1
346 1 29 ASP H 1 32 GLY H 2.650 . 3.500 3.483 3.131 3.551 0.051 12 0 "[ . 1 . 2 .]" 1
347 1 29 ASP H 1 33 THR HA 2.650 . 3.500 2.878 2.621 3.437 . 0 0 "[ . 1 . 2 .]" 1
348 1 29 ASP H 1 34 TYR QE 3.650 . 5.500 2.958 2.596 3.489 . 0 0 "[ . 1 . 2 .]" 1
349 1 29 ASP HA 1 29 ASP HB2 2.300 . 2.800 2.825 2.349 2.874 0.074 5 0 "[ . 1 . 2 .]" 1
350 1 29 ASP HA 1 29 ASP HB3 2.300 . 2.800 2.846 2.614 2.916 0.116 10 0 "[ . 1 . 2 .]" 1
351 1 29 ASP HA 1 30 THR H 3.400 . 5.000 2.516 2.328 2.764 . 0 0 "[ . 1 . 2 .]" 1
352 1 29 ASP HB2 1 32 GLY H 3.400 . 5.000 3.698 3.303 4.951 . 0 0 "[ . 1 . 2 .]" 1
353 1 29 ASP HB3 1 30 THR H 3.400 . 5.000 2.789 2.337 3.720 . 0 0 "[ . 1 . 2 .]" 1
354 1 29 ASP HB3 1 34 TYR QE 4.150 . 6.500 3.621 1.887 4.024 . 0 0 "[ . 1 . 2 .]" 1
355 1 30 THR HA 1 30 THR HB 2.300 . 2.800 2.512 2.403 2.634 . 0 0 "[ . 1 . 2 .]" 1
356 1 30 THR HA 1 30 THR MG 2.900 . 4.000 2.457 2.043 3.190 . 0 0 "[ . 1 . 2 .]" 1
357 1 31 SER H 1 31 SER HA 2.650 . 3.500 2.893 2.751 2.987 . 0 0 "[ . 1 . 2 .]" 1
358 1 31 SER H 1 31 SER HB2 2.650 . 3.500 2.397 1.963 3.478 . 0 0 "[ . 1 . 2 .]" 1
359 1 31 SER H 1 31 SER HB3 2.650 . 3.500 3.047 1.981 3.529 0.029 17 0 "[ . 1 . 2 .]" 1
360 1 31 SER H 1 32 GLY H 2.650 . 3.500 2.522 1.850 3.059 . 0 0 "[ . 1 . 2 .]" 1
361 1 31 SER HA 1 31 SER HB2 2.650 . 3.500 2.786 2.268 3.028 . 0 0 "[ . 1 . 2 .]" 1
362 1 31 SER HA 1 31 SER HB3 2.300 . 2.800 2.747 2.534 2.823 0.023 12 0 "[ . 1 . 2 .]" 1
363 1 31 SER HA 1 32 GLY H 2.650 . 3.500 3.522 3.460 3.573 0.073 4 0 "[ . 1 . 2 .]" 1
364 1 31 SER HB2 1 45 TRP HH2 3.400 . 5.000 3.231 1.882 4.905 . 0 0 "[ . 1 . 2 .]" 1
365 1 31 SER HB3 1 32 GLY H 2.650 . 3.500 3.362 2.802 3.515 0.015 7 0 "[ . 1 . 2 .]" 1
366 1 31 SER HB3 1 45 TRP HH2 3.900 . 6.000 2.885 1.867 5.395 . 0 0 "[ . 1 . 2 .]" 1
367 1 32 GLY H 1 32 GLY HA2 2.300 . 2.800 2.721 2.623 2.811 0.011 12 0 "[ . 1 . 2 .]" 1
368 1 32 GLY H 1 32 GLY HA3 2.650 . 3.500 2.934 2.875 2.979 . 0 0 "[ . 1 . 2 .]" 1
369 1 32 GLY HA2 1 33 THR H 2.300 . 2.800 2.626 2.448 2.795 . 0 0 "[ . 1 . 2 .]" 1
370 1 32 GLY HA3 1 33 THR H 2.650 . 3.500 2.599 2.442 2.785 . 0 0 "[ . 1 . 2 .]" 1
371 1 32 GLY HA3 1 45 TRP HZ3 3.400 . 5.000 3.208 2.582 3.873 . 0 0 "[ . 1 . 2 .]" 1
372 1 33 THR H 1 33 THR MG 3.650 . 5.500 3.725 3.672 3.778 . 0 0 "[ . 1 . 2 .]" 1
373 1 33 THR H 1 45 TRP HZ3 3.400 . 5.000 4.597 3.345 5.014 0.014 8 0 "[ . 1 . 2 .]" 1
374 1 33 THR HA 1 33 THR HB 2.650 . 3.500 3.029 3.002 3.036 . 0 0 "[ . 1 . 2 .]" 1
375 1 33 THR HA 1 33 THR MG 2.900 . 4.000 2.313 2.158 2.472 . 0 0 "[ . 1 . 2 .]" 1
376 1 33 THR HA 1 34 TYR H 2.300 . 2.800 2.222 2.209 2.253 . 0 0 "[ . 1 . 2 .]" 1
377 1 33 THR HA 1 34 TYR QD 4.150 . 6.500 3.437 3.309 3.630 . 0 0 "[ . 1 . 2 .]" 1
378 1 33 THR HB 1 34 TYR H 3.400 . 5.000 4.319 4.182 4.450 . 0 0 "[ . 1 . 2 .]" 1
379 1 33 THR MG 1 34 TYR H 2.900 . 4.000 2.997 2.835 3.172 . 0 0 "[ . 1 . 2 .]" 1
380 1 33 THR MG 1 34 TYR HA 3.650 . 5.500 4.076 3.773 4.380 . 0 0 "[ . 1 . 2 .]" 1
381 1 33 THR MG 1 35 TYR QE 4.400 . 7.000 4.383 3.626 4.775 . 0 0 "[ . 1 . 2 .]" 1
382 1 34 TYR H 1 34 TYR HA 2.650 . 3.500 3.000 2.999 3.003 . 0 0 "[ . 1 . 2 .]" 1
383 1 34 TYR H 1 34 TYR HB2 3.400 . 5.000 3.700 3.681 3.713 . 0 0 "[ . 1 . 2 .]" 1
384 1 34 TYR H 1 34 TYR HB3 3.400 . 5.000 2.840 2.796 2.872 . 0 0 "[ . 1 . 2 .]" 1
385 1 34 TYR H 1 34 TYR QD 3.650 . 5.500 2.103 1.941 2.265 . 0 0 "[ . 1 . 2 .]" 1
386 1 34 TYR HA 1 34 TYR HB2 2.650 . 3.500 2.440 2.422 2.461 . 0 0 "[ . 1 . 2 .]" 1
387 1 34 TYR HA 1 34 TYR HB3 2.650 . 3.500 2.504 2.483 2.521 . 0 0 "[ . 1 . 2 .]" 1
388 1 34 TYR HA 1 34 TYR QD 3.650 . 5.500 3.709 3.705 3.712 . 0 0 "[ . 1 . 2 .]" 1
389 1 34 TYR HA 1 35 TYR H 2.650 . 3.500 2.870 2.811 2.930 . 0 0 "[ . 1 . 2 .]" 1
390 1 34 TYR HA 1 35 TYR QD 3.650 . 5.500 3.224 2.408 4.030 . 0 0 "[ . 1 . 2 .]" 1
391 1 34 TYR HA 1 35 TYR QE 3.650 . 5.500 3.938 3.055 4.611 . 0 0 "[ . 1 . 2 .]" 1
392 1 34 TYR HA 1 45 TRP HA 2.650 . 3.500 2.434 2.018 2.950 . 0 0 "[ . 1 . 2 .]" 1
393 1 34 TYR HA 1 45 TRP HE3 3.400 . 5.000 3.477 2.594 4.122 . 0 0 "[ . 1 . 2 .]" 1
394 1 34 TYR HB2 1 34 TYR QE 4.150 . 6.500 4.439 4.429 4.448 . 0 0 "[ . 1 . 2 .]" 1
395 1 34 TYR HB2 1 35 TYR H 2.650 . 3.500 1.976 1.929 2.009 . 0 0 "[ . 1 . 2 .]" 1
396 1 34 TYR HB2 1 45 TRP HA 2.650 . 3.500 2.728 2.292 3.216 . 0 0 "[ . 1 . 2 .]" 1
397 1 34 TYR HB3 1 34 TYR QE 4.150 . 6.500 4.452 4.444 4.461 . 0 0 "[ . 1 . 2 .]" 1
398 1 34 TYR HB3 1 35 TYR H 2.650 . 3.500 3.515 3.481 3.545 0.045 8 0 "[ . 1 . 2 .]" 1
399 1 34 TYR HB3 1 45 TRP HA 2.650 . 3.500 3.347 2.918 3.555 0.055 6 0 "[ . 1 . 2 .]" 1
400 1 34 TYR HB3 1 45 TRP HE3 3.400 . 5.000 2.933 2.240 3.708 . 0 0 "[ . 1 . 2 .]" 1
401 1 34 TYR HB3 1 45 TRP HZ3 3.400 . 5.000 3.143 2.220 4.156 . 0 0 "[ . 1 . 2 .]" 1
402 1 34 TYR QD 1 35 TYR H 3.650 . 5.500 1.932 1.864 2.105 . 0 0 "[ . 1 . 2 .]" 1
403 1 34 TYR QD 1 36 TRP HB2 4.150 . 6.500 4.147 3.900 4.367 . 0 0 "[ . 1 . 2 .]" 1
404 1 34 TYR QD 1 43 THR HB 3.650 . 5.500 3.674 3.152 4.012 . 0 0 "[ . 1 . 2 .]" 1
405 1 34 TYR QD 1 43 THR MG 3.900 . 6.000 2.679 2.269 3.109 . 0 0 "[ . 1 . 2 .]" 1
406 1 34 TYR QD 1 44 GLN H 4.150 . 6.500 2.850 2.592 3.188 . 0 0 "[ . 1 . 2 .]" 1
407 1 34 TYR QD 1 45 TRP HZ3 4.150 . 6.500 3.970 2.937 4.981 . 0 0 "[ . 1 . 2 .]" 1
408 1 34 TYR QE 1 36 TRP HB2 3.650 . 5.500 2.266 1.892 2.607 . 0 0 "[ . 1 . 2 .]" 1
409 1 34 TYR QE 1 36 TRP HB3 4.150 . 6.500 3.806 3.367 4.256 . 0 0 "[ . 1 . 2 .]" 1
410 1 34 TYR QE 1 36 TRP HE3 4.150 . 6.500 5.396 5.122 5.652 . 0 0 "[ . 1 . 2 .]" 1
411 1 34 TYR QE 1 43 THR HB 3.650 . 5.500 4.333 3.997 4.635 . 0 0 "[ . 1 . 2 .]" 1
412 1 34 TYR QE 1 43 THR MG 3.900 . 6.000 2.211 1.881 2.613 . 0 0 "[ . 1 . 2 .]" 1
413 1 35 TYR H 1 35 TYR HB2 2.650 . 3.500 2.538 2.443 2.694 . 0 0 "[ . 1 . 2 .]" 1
414 1 35 TYR H 1 35 TYR HB3 3.400 . 5.000 3.737 3.677 3.819 . 0 0 "[ . 1 . 2 .]" 1
415 1 35 TYR H 1 35 TYR QD 3.650 . 5.500 2.969 2.354 3.517 . 0 0 "[ . 1 . 2 .]" 1
416 1 35 TYR H 1 44 GLN H 2.650 . 3.500 2.765 2.233 3.220 . 0 0 "[ . 1 . 2 .]" 1
417 1 35 TYR HA 1 35 TYR HB2 2.650 . 3.500 3.031 3.023 3.038 . 0 0 "[ . 1 . 2 .]" 1
418 1 35 TYR HA 1 35 TYR HB3 2.650 . 3.500 2.529 2.445 2.591 . 0 0 "[ . 1 . 2 .]" 1
419 1 35 TYR HA 1 35 TYR QD 3.650 . 5.500 2.692 2.118 3.089 . 0 0 "[ . 1 . 2 .]" 1
420 1 35 TYR HA 1 35 TYR QE 4.150 . 6.500 4.470 4.293 4.670 . 0 0 "[ . 1 . 2 .]" 1
421 1 35 TYR HA 1 36 TRP H 2.650 . 3.500 2.249 2.206 2.328 . 0 0 "[ . 1 . 2 .]" 1
422 1 35 TYR HB2 1 35 TYR QE 4.150 . 6.500 4.441 4.416 4.495 . 0 0 "[ . 1 . 2 .]" 1
423 1 35 TYR HB2 1 44 GLN H 3.400 . 5.000 3.244 2.830 3.504 . 0 0 "[ . 1 . 2 .]" 1
424 1 35 TYR HB3 1 36 TRP H 3.400 . 5.000 3.261 2.924 3.662 . 0 0 "[ . 1 . 2 .]" 1
425 1 35 TYR QD 1 36 TRP H 4.150 . 6.500 4.006 3.622 4.436 . 0 0 "[ . 1 . 2 .]" 1
426 1 35 TYR QD 1 45 TRP HA 3.650 . 5.500 3.168 2.311 3.759 . 0 0 "[ . 1 . 2 .]" 1
427 1 35 TYR QD 1 46 GLU H 3.650 . 5.500 3.496 2.735 4.349 . 0 0 "[ . 1 . 2 .]" 1
428 1 35 TYR QD 1 48 PRO HD2 4.150 . 6.500 3.829 2.830 4.801 . 0 0 "[ . 1 . 2 .]" 1
429 1 35 TYR QD 1 48 PRO HD3 4.150 . 6.500 3.468 2.980 3.948 . 0 0 "[ . 1 . 2 .]" 1
430 1 35 TYR QE 1 46 GLU HA 4.150 . 6.500 2.682 2.217 3.409 . 0 0 "[ . 1 . 2 .]" 1
431 1 35 TYR QE 1 47 PRO HA 3.650 . 5.500 3.091 2.478 3.778 . 0 0 "[ . 1 . 2 .]" 1
432 1 35 TYR QE 1 47 PRO HB3 3.650 . 5.500 3.452 2.353 4.422 . 0 0 "[ . 1 . 2 .]" 1
433 1 35 TYR QE 1 47 PRO HD2 4.150 . 6.500 4.273 3.774 5.191 . 0 0 "[ . 1 . 2 .]" 1
434 1 35 TYR QE 1 47 PRO HD3 3.650 . 5.500 3.076 2.499 3.927 . 0 0 "[ . 1 . 2 .]" 1
435 1 35 TYR QE 1 47 PRO QG 4.300 . 6.800 4.345 3.871 5.158 . 0 0 "[ . 1 . 2 .]" 1
436 1 36 TRP H 1 36 TRP HB2 2.650 . 3.500 3.020 2.851 3.164 . 0 0 "[ . 1 . 2 .]" 1
437 1 36 TRP H 1 36 TRP HB3 2.650 . 3.500 2.287 2.183 2.430 . 0 0 "[ . 1 . 2 .]" 1
438 1 36 TRP HA 1 36 TRP HB2 2.650 . 3.500 2.381 2.350 2.429 . 0 0 "[ . 1 . 2 .]" 1
439 1 36 TRP HA 1 36 TRP HB3 2.650 . 3.500 3.021 3.009 3.031 . 0 0 "[ . 1 . 2 .]" 1
440 1 36 TRP HA 1 36 TRP HD1 3.400 . 5.000 2.333 2.214 2.461 . 0 0 "[ . 1 . 2 .]" 1
441 1 36 TRP HA 1 37 HIS H 2.300 . 2.800 2.208 2.186 2.271 . 0 0 "[ . 1 . 2 .]" 1
442 1 36 TRP HA 1 43 THR HA 2.650 . 3.500 2.888 2.733 3.003 . 0 0 "[ . 1 . 2 .]" 1
443 1 36 TRP HA 1 43 THR HB 3.400 . 5.000 4.734 4.324 5.003 0.003 17 0 "[ . 1 . 2 .]" 1
444 1 36 TRP HA 1 43 THR MG 2.900 . 4.000 2.292 2.084 2.474 . 0 0 "[ . 1 . 2 .]" 1
445 1 36 TRP HA 1 44 GLN H 3.400 . 5.000 4.184 3.838 4.623 . 0 0 "[ . 1 . 2 .]" 1
446 1 36 TRP HB2 1 36 TRP HD1 3.400 . 5.000 3.318 3.181 3.452 . 0 0 "[ . 1 . 2 .]" 1
447 1 36 TRP HB2 1 36 TRP HE3 3.400 . 5.000 3.415 3.230 3.590 . 0 0 "[ . 1 . 2 .]" 1
448 1 36 TRP HB2 1 37 HIS H 3.400 . 5.000 4.282 4.081 4.391 . 0 0 "[ . 1 . 2 .]" 1
449 1 36 TRP HB2 1 43 THR HA 3.400 . 5.000 5.022 4.893 5.081 0.081 17 0 "[ . 1 . 2 .]" 1
450 1 36 TRP HB2 1 43 THR MG 3.650 . 5.500 3.329 3.253 3.398 . 0 0 "[ . 1 . 2 .]" 1
451 1 36 TRP HB3 1 36 TRP HD1 3.400 . 5.000 3.784 3.705 3.842 . 0 0 "[ . 1 . 2 .]" 1
452 1 36 TRP HB3 1 36 TRP HE3 3.400 . 5.000 2.666 2.549 2.817 . 0 0 "[ . 1 . 2 .]" 1
453 1 36 TRP HB3 1 37 HIS H 3.400 . 5.000 4.415 4.241 4.487 . 0 0 "[ . 1 . 2 .]" 1
454 1 36 TRP HB3 1 43 THR MG 3.650 . 5.500 4.523 4.467 4.564 . 0 0 "[ . 1 . 2 .]" 1
455 1 36 TRP HD1 1 37 HIS H 2.650 . 3.500 2.096 1.870 2.439 . 0 0 "[ . 1 . 2 .]" 1
456 1 36 TRP HD1 1 41 GLY HA2 3.900 . 6.000 3.513 2.919 4.391 . 0 0 "[ . 1 . 2 .]" 1
457 1 36 TRP HD1 1 43 THR HA 3.400 . 5.000 4.061 3.538 4.370 . 0 0 "[ . 1 . 2 .]" 1
458 1 36 TRP HD1 1 43 THR MG 3.650 . 5.500 3.019 2.598 3.379 . 0 0 "[ . 1 . 2 .]" 1
459 1 36 TRP HE1 1 38 ILE HA 2.650 . 3.500 3.255 2.951 3.504 0.004 23 0 "[ . 1 . 2 .]" 1
460 1 36 TRP HE1 1 38 ILE MG 4.150 . 6.500 4.902 4.606 5.232 . 0 0 "[ . 1 . 2 .]" 1
461 1 36 TRP HE1 1 41 GLY H 3.400 . 5.000 4.479 4.264 4.758 . 0 0 "[ . 1 . 2 .]" 1
462 1 36 TRP HE1 1 41 GLY HA2 2.650 . 3.500 2.537 2.122 3.057 . 0 0 "[ . 1 . 2 .]" 1
463 1 36 TRP HE1 1 41 GLY HA3 3.400 . 5.000 4.014 3.497 4.794 . 0 0 "[ . 1 . 2 .]" 1
464 1 36 TRP HE3 1 38 ILE MD 4.150 . 6.500 4.561 3.434 4.992 . 0 0 "[ . 1 . 2 .]" 1
465 1 36 TRP HH2 1 38 ILE MD 4.150 . 6.500 4.751 3.493 5.123 . 0 0 "[ . 1 . 2 .]" 1
466 1 36 TRP HH2 1 38 ILE MG 4.150 . 6.500 4.436 3.683 5.144 . 0 0 "[ . 1 . 2 .]" 1
467 1 36 TRP HZ2 1 38 ILE HA 3.900 . 6.000 3.597 3.028 4.084 . 0 0 "[ . 1 . 2 .]" 1
468 1 36 TRP HZ2 1 38 ILE MD 4.150 . 6.500 5.157 3.173 5.402 . 0 0 "[ . 1 . 2 .]" 1
469 1 36 TRP HZ2 1 38 ILE HG12 3.900 . 6.000 4.262 3.785 5.904 . 0 0 "[ . 1 . 2 .]" 1
470 1 36 TRP HZ2 1 38 ILE MG 4.150 . 6.500 4.072 3.490 4.749 . 0 0 "[ . 1 . 2 .]" 1
471 1 36 TRP HZ3 1 38 ILE MD 4.150 . 6.500 4.436 3.536 4.814 . 0 0 "[ . 1 . 2 .]" 1
472 1 37 HIS H 1 37 HIS HA 2.650 . 3.500 2.931 2.908 2.978 . 0 0 "[ . 1 . 2 .]" 1
473 1 37 HIS H 1 37 HIS HB2 2.650 . 3.500 2.213 2.087 2.460 . 0 0 "[ . 1 . 2 .]" 1
474 1 37 HIS H 1 37 HIS HB3 2.650 . 3.500 2.778 2.656 2.897 . 0 0 "[ . 1 . 2 .]" 1
475 1 37 HIS H 1 42 THR H 3.400 . 5.000 4.302 3.910 4.740 . 0 0 "[ . 1 . 2 .]" 1
476 1 37 HIS H 1 43 THR HA 3.400 . 5.000 3.022 2.614 3.411 . 0 0 "[ . 1 . 2 .]" 1
477 1 37 HIS H 1 43 THR MG 4.150 . 6.500 3.264 2.982 3.489 . 0 0 "[ . 1 . 2 .]" 1
478 1 37 HIS HA 1 37 HIS HB2 2.650 . 3.500 2.668 2.604 2.725 . 0 0 "[ . 1 . 2 .]" 1
479 1 37 HIS HA 1 37 HIS HB3 2.650 . 3.500 2.995 2.967 3.021 . 0 0 "[ . 1 . 2 .]" 1
480 1 37 HIS HA 1 38 ILE H 2.300 . 2.800 2.221 2.189 2.358 . 0 0 "[ . 1 . 2 .]" 1
481 1 37 HIS HB2 1 42 THR H 3.400 . 5.000 3.406 3.040 3.838 . 0 0 "[ . 1 . 2 .]" 1
482 1 37 HIS HB2 1 42 THR HB 2.650 . 3.500 3.056 2.797 3.498 . 0 0 "[ . 1 . 2 .]" 1
483 1 37 HIS HB2 1 42 THR MG 4.150 . 6.500 4.337 4.066 4.477 . 0 0 "[ . 1 . 2 .]" 1
484 1 37 HIS HB3 1 37 HIS HD2 3.400 . 5.000 3.405 2.847 3.751 . 0 0 "[ . 1 . 2 .]" 1
485 1 37 HIS HB3 1 41 GLY H 3.400 . 5.000 2.140 1.837 2.745 . 0 0 "[ . 1 . 2 .]" 1
486 1 37 HIS HB3 1 42 THR H 2.650 . 3.500 2.236 1.871 2.676 . 0 0 "[ . 1 . 2 .]" 1
487 1 37 HIS HB3 1 42 THR HB 2.650 . 3.500 3.317 3.201 3.435 . 0 0 "[ . 1 . 2 .]" 1
488 1 37 HIS HB3 1 42 THR MG 3.650 . 5.500 4.656 4.575 4.705 . 0 0 "[ . 1 . 2 .]" 1
489 1 37 HIS HB3 1 43 THR HA 3.400 . 5.000 4.866 4.543 5.026 0.026 10 0 "[ . 1 . 2 .]" 1
490 1 37 HIS HD2 1 39 PRO HB2 3.400 . 5.000 4.840 3.663 5.018 0.018 22 0 "[ . 1 . 2 .]" 1
491 1 37 HIS HD2 1 39 PRO HG3 3.400 . 5.000 3.735 2.982 5.013 0.013 13 0 "[ . 1 . 2 .]" 1
492 1 37 HIS HD2 1 40 THR MG 3.650 . 5.500 3.796 3.249 4.607 . 0 0 "[ . 1 . 2 .]" 1
493 1 38 ILE H 1 38 ILE HA 2.650 . 3.500 2.849 2.788 2.874 . 0 0 "[ . 1 . 2 .]" 1
494 1 38 ILE H 1 38 ILE HB 2.300 . 2.800 2.390 2.234 2.550 . 0 0 "[ . 1 . 2 .]" 1
495 1 38 ILE H 1 38 ILE MD 3.650 . 5.500 3.482 3.019 3.677 . 0 0 "[ . 1 . 2 .]" 1
496 1 38 ILE H 1 38 ILE HG12 2.650 . 3.500 3.067 2.116 3.414 . 0 0 "[ . 1 . 2 .]" 1
497 1 38 ILE H 1 38 ILE HG13 2.650 . 3.500 2.018 1.819 3.513 0.013 22 0 "[ . 1 . 2 .]" 1
498 1 38 ILE H 1 38 ILE MG 3.650 . 5.500 3.680 3.657 3.707 . 0 0 "[ . 1 . 2 .]" 1
499 1 38 ILE H 1 39 PRO QD 2.800 . 3.800 2.075 1.931 2.232 . 0 0 "[ . 1 . 2 .]" 1
500 1 38 ILE HA 1 38 ILE HB 2.650 . 3.500 3.030 3.017 3.036 . 0 0 "[ . 1 . 2 .]" 1
501 1 38 ILE HA 1 38 ILE MD 3.650 . 5.500 3.659 1.850 3.876 . 0 0 "[ . 1 . 2 .]" 1
502 1 38 ILE HA 1 38 ILE HG12 2.650 . 3.500 2.457 2.271 2.974 . 0 0 "[ . 1 . 2 .]" 1
503 1 38 ILE HA 1 38 ILE HG13 2.650 . 3.500 3.129 2.792 3.616 0.116 22 0 "[ . 1 . 2 .]" 1
504 1 38 ILE HA 1 38 ILE MG 2.900 . 4.000 2.367 2.248 2.488 . 0 0 "[ . 1 . 2 .]" 1
505 1 38 ILE HA 1 39 PRO QD 3.550 . 5.300 3.500 3.486 3.520 . 0 0 "[ . 1 . 2 .]" 1
506 1 38 ILE HA 1 41 GLY H 3.400 . 5.000 4.356 3.911 4.890 . 0 0 "[ . 1 . 2 .]" 1
507 1 38 ILE HB 1 38 ILE HG13 2.650 . 3.500 2.437 2.375 2.626 . 0 0 "[ . 1 . 2 .]" 1
508 1 38 ILE HB 1 39 PRO QD 2.800 . 3.800 1.913 1.754 2.066 0.046 7 0 "[ . 1 . 2 .]" 1
509 1 38 ILE MG 1 39 PRO HA 3.650 . 5.500 3.554 3.133 3.811 . 0 0 "[ . 1 . 2 .]" 1
510 1 38 ILE MG 1 39 PRO QD 3.800 . 5.800 3.218 2.566 3.426 . 0 0 "[ . 1 . 2 .]" 1
511 1 38 ILE MG 1 39 PRO HG3 4.150 . 6.500 5.002 4.343 5.264 . 0 0 "[ . 1 . 2 .]" 1
512 1 39 PRO HA 1 40 THR H 3.400 . 5.000 3.588 3.409 3.607 . 0 0 "[ . 1 . 2 .]" 1
513 1 39 PRO HB2 1 40 THR H 3.400 . 5.000 2.848 2.529 3.803 . 0 0 "[ . 1 . 2 .]" 1
514 1 39 PRO HB3 1 40 THR H 3.400 . 5.000 3.911 3.742 4.442 . 0 0 "[ . 1 . 2 .]" 1
515 1 40 THR H 1 40 THR MG 3.650 . 5.500 2.688 1.840 3.844 . 0 0 "[ . 1 . 2 .]" 1
516 1 40 THR H 1 41 GLY H 2.650 . 3.500 2.410 2.096 2.659 . 0 0 "[ . 1 . 2 .]" 1
517 1 40 THR HA 1 40 THR HB 2.300 . 2.800 2.628 2.381 3.005 0.205 14 0 "[ . 1 . 2 .]" 1
518 1 40 THR HA 1 40 THR MG 2.900 . 4.000 2.363 1.940 3.187 . 0 0 "[ . 1 . 2 .]" 1
519 1 40 THR HA 1 41 GLY H 3.400 . 5.000 3.514 3.387 3.594 . 0 0 "[ . 1 . 2 .]" 1
520 1 40 THR HB 1 41 GLY H 3.400 . 5.000 3.432 1.869 4.285 . 0 0 "[ . 1 . 2 .]" 1
521 1 40 THR MG 1 41 GLY H 3.650 . 5.500 3.640 2.007 4.166 . 0 0 "[ . 1 . 2 .]" 1
522 1 41 GLY H 1 41 GLY HA2 2.300 . 2.800 2.435 2.345 2.652 . 0 0 "[ . 1 . 2 .]" 1
523 1 41 GLY H 1 41 GLY HA3 2.650 . 3.500 2.953 2.850 2.992 . 0 0 "[ . 1 . 2 .]" 1
524 1 41 GLY H 1 42 THR H 2.650 . 3.500 2.413 1.944 2.714 . 0 0 "[ . 1 . 2 .]" 1
525 1 41 GLY HA2 1 42 THR H 3.400 . 5.000 3.337 3.172 3.449 . 0 0 "[ . 1 . 2 .]" 1
526 1 41 GLY HA3 1 42 THR H 2.650 . 3.500 3.245 3.102 3.407 . 0 0 "[ . 1 . 2 .]" 1
527 1 42 THR H 1 42 THR HB 2.650 . 3.500 2.662 2.349 2.893 . 0 0 "[ . 1 . 2 .]" 1
528 1 42 THR H 1 42 THR MG 3.650 . 5.500 3.660 3.579 3.731 . 0 0 "[ . 1 . 2 .]" 1
529 1 42 THR HA 1 42 THR HB 2.650 . 3.500 3.010 2.982 3.032 . 0 0 "[ . 1 . 2 .]" 1
530 1 42 THR HA 1 42 THR MG 2.900 . 4.000 2.180 2.009 2.378 . 0 0 "[ . 1 . 2 .]" 1
531 1 42 THR HA 1 43 THR H 2.300 . 2.800 2.376 2.310 2.483 . 0 0 "[ . 1 . 2 .]" 1
532 1 42 THR HA 1 43 THR MG 4.150 . 6.500 4.324 3.924 4.677 . 0 0 "[ . 1 . 2 .]" 1
533 1 42 THR HB 1 43 THR H 2.650 . 3.500 3.567 3.528 3.591 0.091 18 0 "[ . 1 . 2 .]" 1
534 1 42 THR MG 1 43 THR H 2.900 . 4.000 2.102 1.785 2.511 0.015 9 0 "[ . 1 . 2 .]" 1
535 1 42 THR MG 1 43 THR HA 3.650 . 5.500 4.149 3.646 4.470 . 0 0 "[ . 1 . 2 .]" 1
536 1 43 THR H 1 43 THR HA 2.650 . 3.500 3.004 3.001 3.008 . 0 0 "[ . 1 . 2 .]" 1
537 1 43 THR H 1 43 THR MG 3.650 . 5.500 3.437 3.154 3.642 . 0 0 "[ . 1 . 2 .]" 1
538 1 43 THR HA 1 43 THR HB 2.650 . 3.500 2.763 2.634 2.857 . 0 0 "[ . 1 . 2 .]" 1
539 1 43 THR HA 1 43 THR MG 2.900 . 4.000 2.041 1.914 2.196 . 0 0 "[ . 1 . 2 .]" 1
540 1 43 THR HA 1 44 GLN H 2.650 . 3.500 2.393 2.296 2.598 . 0 0 "[ . 1 . 2 .]" 1
541 1 43 THR HB 1 44 GLN H 2.650 . 3.500 2.905 2.371 3.149 . 0 0 "[ . 1 . 2 .]" 1
542 1 43 THR MG 1 44 GLN H 3.650 . 5.500 3.154 2.766 3.567 . 0 0 "[ . 1 . 2 .]" 1
543 1 44 GLN H 1 44 GLN HB3 3.400 . 5.000 3.830 3.716 3.886 . 0 0 "[ . 1 . 2 .]" 1
544 1 44 GLN H 1 44 GLN HG3 2.650 . 3.500 3.221 2.670 3.535 0.035 12 0 "[ . 1 . 2 .]" 1
545 1 44 GLN HA 1 44 GLN HB2 2.650 . 3.500 3.031 3.012 3.039 . 0 0 "[ . 1 . 2 .]" 1
546 1 44 GLN HA 1 44 GLN HB3 2.650 . 3.500 2.507 2.410 2.623 . 0 0 "[ . 1 . 2 .]" 1
547 1 44 GLN HA 1 44 GLN HG2 2.650 . 3.500 2.330 2.166 2.615 . 0 0 "[ . 1 . 2 .]" 1
548 1 44 GLN HA 1 44 GLN HG3 2.650 . 3.500 3.271 2.787 3.491 . 0 0 "[ . 1 . 2 .]" 1
549 1 44 GLN HA 1 45 TRP H 2.650 . 3.500 2.906 2.630 3.102 . 0 0 "[ . 1 . 2 .]" 1
550 1 44 GLN HB2 1 45 TRP H 2.650 . 3.500 2.831 2.346 3.504 0.004 1 0 "[ . 1 . 2 .]" 1
551 1 44 GLN HB3 1 45 TRP H 3.400 . 5.000 1.948 1.840 2.193 . 0 0 "[ . 1 . 2 .]" 1
552 1 44 GLN HE21 1 44 GLN HG2 2.300 . 2.800 2.357 2.248 2.779 . 0 0 "[ . 1 . 2 .]" 1
553 1 44 GLN HE21 1 44 GLN HG3 2.650 . 3.500 3.130 2.541 3.512 0.012 15 0 "[ . 1 . 2 .]" 1
554 1 44 GLN HE22 1 44 GLN HG3 3.400 . 5.000 3.886 3.624 4.069 . 0 0 "[ . 1 . 2 .]" 1
555 1 45 TRP H 1 45 TRP HB2 2.650 . 3.500 2.744 2.480 3.209 . 0 0 "[ . 1 . 2 .]" 1
556 1 45 TRP H 1 45 TRP HB3 3.400 . 5.000 3.545 2.691 3.899 . 0 0 "[ . 1 . 2 .]" 1
557 1 45 TRP H 1 45 TRP HD1 3.400 . 5.000 3.797 2.790 5.032 0.032 25 0 "[ . 1 . 2 .]" 1
558 1 45 TRP H 1 46 GLU H 2.650 . 3.500 1.940 1.849 2.267 . 0 0 "[ . 1 . 2 .]" 1
559 1 45 TRP HA 1 45 TRP HB2 2.650 . 3.500 2.907 2.516 3.038 . 0 0 "[ . 1 . 2 .]" 1
560 1 45 TRP HA 1 45 TRP HB3 2.650 . 3.500 2.668 2.489 3.035 . 0 0 "[ . 1 . 2 .]" 1
561 1 45 TRP HA 1 45 TRP HE3 3.400 . 5.000 2.876 2.124 3.454 . 0 0 "[ . 1 . 2 .]" 1
562 1 45 TRP HB2 1 45 TRP HD1 3.400 . 5.000 2.867 2.531 3.776 . 0 0 "[ . 1 . 2 .]" 1
563 1 45 TRP HB2 1 45 TRP HE3 3.400 . 5.000 3.855 2.687 4.246 . 0 0 "[ . 1 . 2 .]" 1
564 1 45 TRP HB2 1 46 GLU H 2.650 . 3.500 3.137 2.595 3.586 0.086 25 0 "[ . 1 . 2 .]" 1
565 1 45 TRP HB3 1 45 TRP HD1 3.400 . 5.000 3.463 2.524 3.840 . 0 0 "[ . 1 . 2 .]" 1
566 1 45 TRP HB3 1 45 TRP HE3 3.400 . 5.000 3.090 2.556 4.243 . 0 0 "[ . 1 . 2 .]" 1
567 1 45 TRP HD1 1 46 GLU H 3.400 . 5.000 4.440 3.408 5.003 0.003 3 0 "[ . 1 . 2 .]" 1
568 1 46 GLU H 1 46 GLU HA 2.650 . 3.500 2.980 2.947 3.003 . 0 0 "[ . 1 . 2 .]" 1
569 1 46 GLU H 1 46 GLU HB2 2.300 . 2.800 2.463 2.128 2.655 . 0 0 "[ . 1 . 2 .]" 1
570 1 46 GLU H 1 46 GLU HG2 2.650 . 3.500 3.265 2.878 3.496 . 0 0 "[ . 1 . 2 .]" 1
571 1 46 GLU H 1 46 GLU HG3 2.650 . 3.500 2.557 1.944 3.467 . 0 0 "[ . 1 . 2 .]" 1
572 1 46 GLU HA 1 46 GLU HB2 2.650 . 3.500 3.030 3.001 3.038 . 0 0 "[ . 1 . 2 .]" 1
573 1 46 GLU HA 1 46 GLU HB3 2.650 . 3.500 2.468 2.390 2.651 . 0 0 "[ . 1 . 2 .]" 1
574 1 46 GLU HA 1 46 GLU HG2 2.650 . 3.500 2.428 2.068 2.744 . 0 0 "[ . 1 . 2 .]" 1
575 1 46 GLU HA 1 46 GLU HG3 2.650 . 3.500 3.354 2.958 3.506 0.006 12 0 "[ . 1 . 2 .]" 1
576 1 46 GLU HA 1 47 PRO HD2 2.300 . 2.800 2.577 2.463 2.649 . 0 0 "[ . 1 . 2 .]" 1
577 1 46 GLU HA 1 47 PRO HD3 2.300 . 2.800 2.271 2.180 2.340 . 0 0 "[ . 1 . 2 .]" 1
578 1 46 GLU HB2 1 47 PRO HD2 2.650 . 3.500 3.398 3.204 3.523 0.023 14 0 "[ . 1 . 2 .]" 1
579 1 46 GLU HB2 1 47 PRO HD3 3.400 . 5.000 4.457 4.350 4.572 . 0 0 "[ . 1 . 2 .]" 1
580 1 46 GLU HB3 1 47 PRO HD2 2.650 . 3.500 1.908 1.852 2.169 . 0 0 "[ . 1 . 2 .]" 1
581 1 46 GLU HB3 1 47 PRO HD3 3.400 . 5.000 3.254 3.174 3.440 . 0 0 "[ . 1 . 2 .]" 1
582 1 46 GLU HG2 1 47 PRO HD3 3.400 . 5.000 4.228 3.614 4.503 . 0 0 "[ . 1 . 2 .]" 1
583 1 47 PRO HA 1 48 PRO HD2 2.650 . 3.500 2.071 1.988 2.272 . 0 0 "[ . 1 . 2 .]" 1
584 1 47 PRO HA 1 48 PRO HD3 2.650 . 3.500 2.293 2.067 2.401 . 0 0 "[ . 1 . 2 .]" 1
585 1 47 PRO HB2 1 48 PRO HD2 3.400 . 5.000 3.677 3.324 3.903 . 0 0 "[ . 1 . 2 .]" 1
586 1 47 PRO HB3 1 48 PRO HD2 3.400 . 5.000 3.789 3.553 3.955 . 0 0 "[ . 1 . 2 .]" 1
587 1 48 PRO HB2 1 49 GLY H 3.400 . 5.000 3.427 1.890 4.353 . 0 0 "[ . 1 . 2 .]" 1
588 1 48 PRO HB3 1 49 GLY H 3.400 . 5.000 4.067 3.212 4.678 . 0 0 "[ . 1 . 2 .]" 1
589 1 49 GLY QA 1 50 ARG H 2.800 . 3.800 2.358 2.164 2.861 . 0 0 "[ . 1 . 2 .]" 1
590 1 50 ARG H 1 50 ARG HA 2.650 . 3.500 2.930 2.765 3.002 . 0 0 "[ . 1 . 2 .]" 1
591 1 50 ARG H 1 50 ARG HB2 2.650 . 3.500 2.498 1.960 3.523 0.023 9 0 "[ . 1 . 2 .]" 1
592 1 50 ARG H 1 50 ARG HB3 2.650 . 3.500 3.037 2.283 3.513 0.013 3 0 "[ . 1 . 2 .]" 1
593 1 50 ARG HA 1 50 ARG HB2 2.650 . 3.500 2.756 2.393 3.024 . 0 0 "[ . 1 . 2 .]" 1
594 1 50 ARG HA 1 50 ARG HB3 2.650 . 3.500 2.833 2.452 3.036 . 0 0 "[ . 1 . 2 .]" 1
595 1 50 ARG HA 1 50 ARG QD 3.550 . 5.300 3.620 2.279 4.041 . 0 0 "[ . 1 . 2 .]" 1
596 1 50 ARG HA 1 50 ARG QG 2.800 . 3.800 2.290 1.909 3.318 . 0 0 "[ . 1 . 2 .]" 1
597 1 50 ARG HA 1 51 ALA H 2.650 . 3.500 2.738 2.212 3.574 0.074 21 0 "[ . 1 . 2 .]" 1
598 1 50 ARG HB2 1 50 ARG QD 3.550 . 5.300 2.561 1.931 3.335 . 0 0 "[ . 1 . 2 .]" 1
599 1 50 ARG HB2 1 51 ALA H 3.400 . 5.000 3.879 2.159 4.699 . 0 0 "[ . 1 . 2 .]" 1
600 1 50 ARG HB3 1 50 ARG QD 3.550 . 5.300 2.475 1.939 3.322 . 0 0 "[ . 1 . 2 .]" 1
601 1 50 ARG HB3 1 51 ALA H 3.400 . 5.000 3.447 1.869 4.491 . 0 0 "[ . 1 . 2 .]" 1
602 1 51 ALA HA 1 52 SER H 2.650 . 3.500 2.581 2.212 3.572 0.072 25 0 "[ . 1 . 2 .]" 1
603 1 51 ALA MB 1 52 SER H 4.150 . 6.500 2.948 1.828 3.735 . 0 0 "[ . 1 . 2 .]" 1
604 1 52 SER H 1 52 SER HB2 3.400 . 5.000 3.144 1.981 3.982 . 0 0 "[ . 1 . 2 .]" 1
605 1 52 SER HA 1 52 SER HB2 2.300 . 2.800 2.592 2.279 2.832 0.032 24 0 "[ . 1 . 2 .]" 1
606 1 53 PRO HA 1 54 SER H 2.650 . 3.500 2.632 2.220 3.511 0.011 8 0 "[ . 1 . 2 .]" 1
607 1 54 SER HA 1 55 GLN H 2.650 . 3.500 2.636 2.212 3.517 0.017 1 0 "[ . 1 . 2 .]" 1
608 1 55 GLN H 1 55 GLN HB2 3.400 . 5.000 2.939 1.966 3.997 . 0 0 "[ . 1 . 2 .]" 1
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