NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439382 |
2k6m   |
15873 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k6m
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 948
_Distance_constraint_stats_list.Viol_count 1707
_Distance_constraint_stats_list.Viol_total 2745.146
_Distance_constraint_stats_list.Viol_max 0.300
_Distance_constraint_stats_list.Viol_rms 0.0282
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0731
_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 8 THR 0.186 0.080 8 0 "[ . 1 . 2 ]"
1 9 ILE 3.616 0.214 20 0 "[ . 1 . 2 ]"
1 10 TYR 7.256 0.293 9 0 "[ . 1 . 2 ]"
1 11 PRO 1.128 0.103 7 0 "[ . 1 . 2 ]"
1 12 LEU 2.881 0.162 19 0 "[ . 1 . 2 ]"
1 13 ALA 1.258 0.103 7 0 "[ . 1 . 2 ]"
1 14 ASP 2.268 0.129 3 0 "[ . 1 . 2 ]"
1 15 LEU 7.549 0.230 5 0 "[ . 1 . 2 ]"
1 16 LEU 7.683 0.254 6 0 "[ . 1 . 2 ]"
1 17 ALA 2.943 0.198 10 0 "[ . 1 . 2 ]"
1 18 ARG 2.929 0.148 9 0 "[ . 1 . 2 ]"
1 19 PRO 0.002 0.002 22 0 "[ . 1 . 2 ]"
1 20 LEU 3.161 0.148 9 0 "[ . 1 . 2 ]"
1 21 PRO 5.434 0.212 13 0 "[ . 1 . 2 ]"
1 22 GLU 10.141 0.293 9 0 "[ . 1 . 2 ]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 VAL 5.741 0.164 16 0 "[ . 1 . 2 ]"
1 25 ASP 3.676 0.250 7 0 "[ . 1 . 2 ]"
1 26 PRO 1.643 0.151 20 0 "[ . 1 . 2 ]"
1 27 LEU 4.551 0.202 3 0 "[ . 1 . 2 ]"
1 28 LYS 0.655 0.079 19 0 "[ . 1 . 2 ]"
1 29 LEU 2.927 0.160 17 0 "[ . 1 . 2 ]"
1 30 GLU 4.617 0.258 19 0 "[ . 1 . 2 ]"
1 31 ILE 0.633 0.146 10 0 "[ . 1 . 2 ]"
1 32 TYR 10.076 0.254 6 0 "[ . 1 . 2 ]"
1 33 LEU 4.952 0.168 13 0 "[ . 1 . 2 ]"
1 34 THR 2.733 0.214 20 0 "[ . 1 . 2 ]"
1 35 ASP 10.635 0.300 3 0 "[ . 1 . 2 ]"
1 36 GLU 3.084 0.089 8 0 "[ . 1 . 2 ]"
1 37 ASP 7.512 0.273 1 0 "[ . 1 . 2 ]"
1 38 PHE 7.445 0.168 13 0 "[ . 1 . 2 ]"
1 39 GLU 9.331 0.300 3 0 "[ . 1 . 2 ]"
1 40 PHE 0.032 0.018 5 0 "[ . 1 . 2 ]"
1 41 ALA 0.092 0.032 19 0 "[ . 1 . 2 ]"
1 42 LEU 10.647 0.248 10 0 "[ . 1 . 2 ]"
1 43 ASP 0.082 0.073 12 0 "[ . 1 . 2 ]"
1 44 MET 3.734 0.187 21 0 "[ . 1 . 2 ]"
1 45 THR 5.114 0.269 15 0 "[ . 1 . 2 ]"
1 46 ARG 0.367 0.040 18 0 "[ . 1 . 2 ]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 GLU 6.831 0.289 19 0 "[ . 1 . 2 ]"
1 49 TYR 6.465 0.289 19 0 "[ . 1 . 2 ]"
1 50 ASN 6.728 0.269 15 0 "[ . 1 . 2 ]"
1 51 ALA 0.443 0.067 17 0 "[ . 1 . 2 ]"
1 52 LEU 0.906 0.097 14 0 "[ . 1 . 2 ]"
1 53 PRO 0.784 0.097 14 0 "[ . 1 . 2 ]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 TRP 12.974 0.271 19 0 "[ . 1 . 2 ]"
1 56 LYS 2.152 0.118 7 0 "[ . 1 . 2 ]"
1 57 GLN 2.733 0.075 18 0 "[ . 1 . 2 ]"
1 58 VAL 0.928 0.136 7 0 "[ . 1 . 2 ]"
1 59 ASN 10.022 0.271 19 0 "[ . 1 . 2 ]"
1 60 LEU 1.793 0.175 17 0 "[ . 1 . 2 ]"
1 61 LYS 5.378 0.267 11 0 "[ . 1 . 2 ]"
1 62 LYS 1.221 0.131 16 0 "[ . 1 . 2 ]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 LYS 0.007 0.004 7 0 "[ . 1 . 2 ]"
1 65 GLY 1.479 0.144 19 0 "[ . 1 . 2 ]"
1 66 LEU 5.146 0.291 14 0 "[ . 1 . 2 ]"
1 67 PHE 19.463 0.291 14 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 36 GLU HA 1 38 PHE H 4.500 . 5.200 4.215 4.043 4.392 . 0 0 "[ . 1 . 2 ]" 1
2 1 9 ILE HB 1 10 TYR H 4.500 . 5.200 4.033 2.489 4.319 . 0 0 "[ . 1 . 2 ]" 1
3 1 9 ILE HG12 1 10 TYR H 4.500 . 5.200 4.416 2.521 5.230 0.030 3 0 "[ . 1 . 2 ]" 1
4 1 35 ASP HB2 1 46 ARG H 4.500 . 5.200 4.840 4.320 5.240 0.040 18 0 "[ . 1 . 2 ]" 1
5 1 50 ASN H 1 50 ASN HD22 4.500 . 5.200 4.691 4.337 5.209 0.009 12 0 "[ . 1 . 2 ]" 1
6 1 38 PHE HZ 1 50 ASN H 4.500 . 5.200 5.243 5.217 5.278 0.078 13 0 "[ . 1 . 2 ]" 1
7 1 62 LYS H 1 64 LYS H 4.500 . 5.200 4.141 3.988 4.266 . 0 0 "[ . 1 . 2 ]" 1
8 1 45 THR HA 1 46 ARG H 4.500 . 5.200 2.358 2.263 2.510 . 0 0 "[ . 1 . 2 ]" 1
9 1 59 ASN HA 1 62 LYS H 4.500 . 5.200 4.143 3.807 4.546 . 0 0 "[ . 1 . 2 ]" 1
10 1 40 PHE HA 1 41 ALA H 4.500 . 5.200 3.431 3.373 3.575 . 0 0 "[ . 1 . 2 ]" 1
11 1 36 GLU H 1 36 GLU HG3 4.500 . 5.200 2.846 2.043 3.835 . 0 0 "[ . 1 . 2 ]" 1
12 1 34 THR H 1 37 ASP HB2 4.500 . 5.200 3.459 3.014 3.702 . 0 0 "[ . 1 . 2 ]" 1
13 1 62 LYS H 1 62 LYS HG2 4.500 . 5.200 3.394 2.434 4.013 . 0 0 "[ . 1 . 2 ]" 1
14 1 62 LYS H 1 62 LYS HG3 4.500 . 5.200 2.359 1.977 3.498 . 0 0 "[ . 1 . 2 ]" 1
15 1 53 PRO HB2 1 54 ALA H 4.500 . 5.200 3.422 3.002 3.768 . 0 0 "[ . 1 . 2 ]" 1
16 1 59 ASN H 1 62 LYS H 4.500 . 5.200 5.018 4.621 5.223 0.023 17 0 "[ . 1 . 2 ]" 1
17 1 53 PRO HB3 1 54 ALA H 4.500 . 5.200 3.161 2.828 3.761 . 0 0 "[ . 1 . 2 ]" 1
18 1 41 ALA H 1 43 ASP H 4.500 . 5.200 3.185 2.982 3.427 . 0 0 "[ . 1 . 2 ]" 1
19 1 48 GLU HB2 1 49 TYR H 4.500 . 5.200 3.448 3.174 3.555 . 0 0 "[ . 1 . 2 ]" 1
20 1 29 LEU H 1 29 LEU HG 4.500 . 5.200 2.489 2.013 2.982 . 0 0 "[ . 1 . 2 ]" 1
21 1 34 THR H 1 35 ASP H 4.500 . 5.200 4.500 4.430 4.606 . 0 0 "[ . 1 . 2 ]" 1
22 1 46 ARG HB2 1 47 ASP H 4.500 . 5.200 3.836 3.640 4.081 . 0 0 "[ . 1 . 2 ]" 1
23 1 30 GLU H 1 31 ILE H 4.500 . 5.200 2.930 2.737 3.064 . 0 0 "[ . 1 . 2 ]" 1
24 1 29 LEU H 1 30 GLU H 4.500 . 5.200 2.511 2.347 2.785 . 0 0 "[ . 1 . 2 ]" 1
25 1 34 THR H 1 37 ASP H 4.500 . 5.200 3.686 3.537 3.811 . 0 0 "[ . 1 . 2 ]" 1
26 1 33 LEU H 1 34 THR H 4.500 . 5.200 4.163 4.062 4.340 . 0 0 "[ . 1 . 2 ]" 1
27 1 28 LYS HA 1 30 GLU H 4.500 . 5.200 3.978 3.536 4.357 . 0 0 "[ . 1 . 2 ]" 1
28 1 33 LEU HA 1 34 THR H 4.500 . 5.200 2.136 2.116 2.166 . 0 0 "[ . 1 . 2 ]" 1
29 1 40 PHE HA 1 43 ASP H 4.500 . 5.200 4.287 3.955 4.655 . 0 0 "[ . 1 . 2 ]" 1
30 1 29 LEU HA 1 30 GLU H 4.500 . 5.200 3.546 3.485 3.586 . 0 0 "[ . 1 . 2 ]" 1
31 1 57 GLN HB2 1 58 VAL H 4.500 . 5.200 3.740 3.627 3.862 . 0 0 "[ . 1 . 2 ]" 1
32 1 58 VAL HB 1 59 ASN H 4.500 . 5.200 2.755 2.603 4.009 . 0 0 "[ . 1 . 2 ]" 1
33 1 14 ASP HB3 1 16 LEU H 4.500 . 5.200 5.244 5.141 5.329 0.129 3 0 "[ . 1 . 2 ]" 1
34 1 52 LEU H 1 52 LEU HG 4.500 . 5.200 3.203 2.740 3.482 . 0 0 "[ . 1 . 2 ]" 1
35 1 15 LEU H 1 15 LEU HG 4.500 . 5.200 1.813 1.704 1.995 0.096 21 0 "[ . 1 . 2 ]" 1
36 1 34 THR H 1 37 ASP HB3 4.500 . 5.200 2.603 2.463 2.741 . 0 0 "[ . 1 . 2 ]" 1
37 1 30 GLU H 1 30 GLU HG2 4.500 . 5.200 2.773 1.940 3.797 . 0 0 "[ . 1 . 2 ]" 1
38 1 29 LEU HB2 1 30 GLU H 4.500 . 5.200 2.482 2.158 2.895 . 0 0 "[ . 1 . 2 ]" 1
39 1 30 GLU H 1 30 GLU HG3 4.500 . 5.200 3.257 2.234 4.192 . 0 0 "[ . 1 . 2 ]" 1
40 1 33 LEU HB2 1 34 THR H 4.500 . 5.200 3.463 3.189 3.591 . 0 0 "[ . 1 . 2 ]" 1
41 1 29 LEU HB3 1 30 GLU H 4.500 . 5.200 3.669 3.299 4.029 . 0 0 "[ . 1 . 2 ]" 1
42 1 57 GLN H 1 57 GLN HG2 4.500 . 5.200 2.130 1.918 2.372 . 0 0 "[ . 1 . 2 ]" 1
43 1 33 LEU HB3 1 34 THR H 4.500 . 5.200 4.002 3.839 4.099 . 0 0 "[ . 1 . 2 ]" 1
44 1 35 ASP H 1 36 GLU H 4.500 . 5.200 2.673 2.547 3.055 . 0 0 "[ . 1 . 2 ]" 1
45 1 61 LYS HA 1 65 GLY H 4.500 . 5.200 4.397 3.775 5.200 . 0 0 "[ . 1 . 2 ]" 1
46 1 50 ASN H 1 52 LEU H 4.500 . 5.200 4.106 3.976 4.249 . 0 0 "[ . 1 . 2 ]" 1
47 1 52 LEU HB3 1 53 PRO HD3 4.500 . 5.200 3.461 3.016 4.368 . 0 0 "[ . 1 . 2 ]" 1
48 1 36 GLU H 1 36 GLU HG2 4.500 . 5.200 2.845 2.038 3.916 . 0 0 "[ . 1 . 2 ]" 1
49 1 35 ASP H 1 39 GLU H 4.500 . 5.200 5.450 5.364 5.500 0.300 3 0 "[ . 1 . 2 ]" 1
50 1 45 THR H 1 46 ARG H 4.500 . 5.200 4.439 4.410 4.451 . 0 0 "[ . 1 . 2 ]" 1
51 1 46 ARG H 1 47 ASP H 4.500 . 5.200 2.583 2.379 2.757 . 0 0 "[ . 1 . 2 ]" 1
52 1 49 TYR H 1 50 ASN H 4.500 . 5.200 2.506 2.391 2.582 . 0 0 "[ . 1 . 2 ]" 1
53 1 61 LYS H 1 62 LYS H 4.500 . 5.200 2.804 2.516 3.063 . 0 0 "[ . 1 . 2 ]" 1
54 1 60 LEU H 1 62 LYS H 4.500 . 5.200 4.422 3.850 4.937 . 0 0 "[ . 1 . 2 ]" 1
55 1 54 ALA H 1 55 TRP H 4.500 . 5.200 2.457 2.300 2.719 . 0 0 "[ . 1 . 2 ]" 1
56 1 57 GLN HA 1 60 LEU HB3 4.500 . 5.200 4.859 4.090 5.218 0.018 20 0 "[ . 1 . 2 ]" 1
57 1 41 ALA H 1 42 LEU H 4.500 . 5.200 2.409 2.187 2.726 . 0 0 "[ . 1 . 2 ]" 1
58 1 40 PHE H 1 41 ALA H 4.500 . 5.200 2.429 2.223 2.831 . 0 0 "[ . 1 . 2 ]" 1
59 1 35 ASP H 1 37 ASP H 4.500 . 5.200 4.355 4.146 4.690 . 0 0 "[ . 1 . 2 ]" 1
60 1 12 LEU H 1 13 ALA H 4.500 . 5.200 2.977 2.839 3.087 . 0 0 "[ . 1 . 2 ]" 1
61 1 13 ALA H 1 14 ASP H 4.500 . 5.200 2.720 2.517 2.954 . 0 0 "[ . 1 . 2 ]" 1
62 1 13 ALA H 1 15 LEU H 4.500 . 5.200 4.036 3.887 4.222 . 0 0 "[ . 1 . 2 ]" 1
63 1 48 GLU H 1 50 ASN H 4.500 . 5.200 3.128 3.058 3.206 . 0 0 "[ . 1 . 2 ]" 1
64 1 50 ASN H 1 51 ALA H 2.700 . 3.300 2.805 2.741 2.956 . 0 0 "[ . 1 . 2 ]" 1
65 1 62 LYS H 1 63 ALA H 4.500 . 5.200 2.655 2.494 2.849 . 0 0 "[ . 1 . 2 ]" 1
66 1 36 GLU H 1 37 ASP H 4.500 . 5.200 2.651 2.566 2.728 . 0 0 "[ . 1 . 2 ]" 1
67 1 23 GLY H 1 24 VAL H 4.500 . 5.200 2.661 2.579 2.707 . 0 0 "[ . 1 . 2 ]" 1
68 1 10 TYR H 1 33 LEU HA 4.500 . 5.200 3.932 3.550 4.286 . 0 0 "[ . 1 . 2 ]" 1
69 1 9 ILE HA 1 10 TYR H 4.500 . 5.200 2.224 2.129 2.472 . 0 0 "[ . 1 . 2 ]" 1
70 1 10 TYR H 1 32 TYR HB3 4.500 . 5.200 4.666 4.059 5.249 0.049 2 0 "[ . 1 . 2 ]" 1
71 1 37 ASP HA 1 38 PHE H 4.500 . 5.200 3.477 3.428 3.506 . 0 0 "[ . 1 . 2 ]" 1
72 1 34 THR HB 1 35 ASP H 4.500 . 5.200 2.823 1.878 3.863 . 0 0 "[ . 1 . 2 ]" 1
73 1 45 THR HB 1 46 ARG H 4.500 . 5.200 2.831 2.319 3.862 . 0 0 "[ . 1 . 2 ]" 1
74 1 11 PRO HA 1 13 ALA H 4.500 . 5.200 3.811 3.594 4.220 . 0 0 "[ . 1 . 2 ]" 1
75 1 49 TYR HA 1 50 ASN H 4.500 . 5.200 3.474 3.443 3.496 . 0 0 "[ . 1 . 2 ]" 1
76 1 35 ASP HA 1 36 GLU H 4.500 . 5.200 3.517 3.496 3.535 . 0 0 "[ . 1 . 2 ]" 1
77 1 34 THR HB 1 36 GLU H 4.500 . 5.200 3.516 2.350 4.487 . 0 0 "[ . 1 . 2 ]" 1
78 1 34 THR HA 1 36 GLU H 4.500 . 5.200 4.484 4.184 4.672 . 0 0 "[ . 1 . 2 ]" 1
79 1 37 ASP HA 1 41 ALA H 4.500 . 5.200 4.044 3.444 4.313 . 0 0 "[ . 1 . 2 ]" 1
80 1 19 PRO HA 1 20 LEU H 4.500 . 5.200 2.398 2.326 2.532 . 0 0 "[ . 1 . 2 ]" 1
81 1 18 ARG HA 1 20 LEU H 4.500 . 5.200 4.789 4.485 5.032 . 0 0 "[ . 1 . 2 ]" 1
82 1 13 ALA H 1 13 ALA HA 2.700 . 3.300 2.815 2.779 2.852 . 0 0 "[ . 1 . 2 ]" 1
83 1 12 LEU HA 1 13 ALA H 4.500 . 5.200 3.536 3.498 3.566 . 0 0 "[ . 1 . 2 ]" 1
84 1 61 LYS HA 1 62 LYS H 4.500 . 5.200 3.551 3.495 3.582 . 0 0 "[ . 1 . 2 ]" 1
85 1 46 ARG HA 1 50 ASN H 4.500 . 5.200 3.860 3.668 3.954 . 0 0 "[ . 1 . 2 ]" 1
86 1 22 GLU HA 1 23 GLY H 4.500 . 5.200 3.462 2.730 3.566 . 0 0 "[ . 1 . 2 ]" 1
87 1 18 ARG HD3 1 20 LEU H 4.500 . 5.200 4.473 3.293 5.261 0.061 11 0 "[ . 1 . 2 ]" 1
88 1 27 LEU HA 1 28 LYS H 4.500 . 5.200 3.315 3.014 3.440 . 0 0 "[ . 1 . 2 ]" 1
89 1 38 PHE HA 1 41 ALA H 4.500 . 5.200 3.437 3.027 3.957 . 0 0 "[ . 1 . 2 ]" 1
90 1 40 PHE HB3 1 41 ALA H 4.500 . 5.200 3.286 2.396 3.608 . 0 0 "[ . 1 . 2 ]" 1
91 1 20 LEU H 1 21 PRO HD3 4.500 . 5.200 5.078 4.674 5.232 0.032 14 0 "[ . 1 . 2 ]" 1
92 1 37 ASP HB3 1 38 PHE H 4.500 . 5.200 2.739 2.610 2.853 . 0 0 "[ . 1 . 2 ]" 1
93 1 37 ASP HB2 1 38 PHE H 4.500 . 5.200 3.919 3.865 4.000 . 0 0 "[ . 1 . 2 ]" 1
94 1 10 TYR H 1 32 TYR HB2 4.500 . 5.200 2.964 2.337 3.513 . 0 0 "[ . 1 . 2 ]" 1
95 1 49 TYR HB3 1 50 ASN H 4.500 . 5.200 3.463 3.400 3.571 . 0 0 "[ . 1 . 2 ]" 1
96 1 49 TYR HB2 1 50 ASN H 4.500 . 5.200 2.946 2.839 3.053 . 0 0 "[ . 1 . 2 ]" 1
97 1 58 VAL HA 1 62 LYS H 4.500 . 5.200 3.835 3.483 4.113 . 0 0 "[ . 1 . 2 ]" 1
98 1 35 ASP HB3 1 36 GLU H 4.500 . 5.200 3.996 3.922 4.082 . 0 0 "[ . 1 . 2 ]" 1
99 1 35 ASP HB2 1 36 GLU H 4.500 . 5.200 3.760 3.620 4.004 . 0 0 "[ . 1 . 2 ]" 1
100 1 40 PHE HB2 1 41 ALA H 4.500 . 5.200 3.823 3.598 4.198 . 0 0 "[ . 1 . 2 ]" 1
101 1 33 LEU HB2 1 38 PHE H 4.500 . 5.200 3.176 3.089 3.364 . 0 0 "[ . 1 . 2 ]" 1
102 1 11 PRO HB2 1 13 ALA H 4.500 . 5.200 3.220 2.938 3.427 . 0 0 "[ . 1 . 2 ]" 1
103 1 11 PRO HB3 1 13 ALA H 4.500 . 5.200 4.200 3.821 4.523 . 0 0 "[ . 1 . 2 ]" 1
104 1 48 GLU HB3 1 50 ASN H 4.500 . 5.200 4.425 4.304 4.598 . 0 0 "[ . 1 . 2 ]" 1
105 1 22 GLU HG3 1 23 GLY H 4.500 . 5.200 4.479 2.443 5.115 . 0 0 "[ . 1 . 2 ]" 1
106 1 19 PRO HB2 1 20 LEU H 4.500 . 5.200 4.322 4.256 4.367 . 0 0 "[ . 1 . 2 ]" 1
107 1 19 PRO HB3 1 20 LEU H 4.500 . 5.200 4.395 4.264 4.582 . 0 0 "[ . 1 . 2 ]" 1
108 1 33 LEU HB3 1 38 PHE H 4.500 . 5.200 4.831 4.735 5.006 . 0 0 "[ . 1 . 2 ]" 1
109 1 12 LEU HG 1 13 ALA H 4.500 . 5.200 2.133 1.851 2.571 . 0 0 "[ . 1 . 2 ]" 1
110 1 12 LEU HB2 1 13 ALA H 4.500 . 5.200 3.662 3.285 4.105 . 0 0 "[ . 1 . 2 ]" 1
111 1 12 LEU HB3 1 13 ALA H 4.500 . 5.200 4.001 3.772 4.126 . 0 0 "[ . 1 . 2 ]" 1
112 1 20 LEU H 1 20 LEU HG 4.500 . 5.200 2.461 1.754 3.761 0.046 18 0 "[ . 1 . 2 ]" 1
113 1 46 ARG H 1 46 ARG HG3 4.500 . 5.200 4.317 4.139 4.478 . 0 0 "[ . 1 . 2 ]" 1
114 1 46 ARG H 1 46 ARG HG2 4.500 . 5.200 4.484 4.104 4.675 . 0 0 "[ . 1 . 2 ]" 1
115 1 22 GLU H 1 23 GLY H 4.500 . 5.200 2.359 2.166 4.477 . 0 0 "[ . 1 . 2 ]" 1
116 1 36 GLU H 1 39 GLU H 4.500 . 5.200 4.253 4.171 4.309 . 0 0 "[ . 1 . 2 ]" 1
117 1 39 GLU H 1 40 PHE H 4.500 . 5.200 2.760 2.430 2.903 . 0 0 "[ . 1 . 2 ]" 1
118 1 65 GLY H 1 66 LEU H 4.500 . 5.200 2.309 2.030 2.690 . 0 0 "[ . 1 . 2 ]" 1
119 1 22 GLU H 1 22 GLU HG3 4.500 . 5.200 4.545 4.329 4.792 . 0 0 "[ . 1 . 2 ]" 1
120 1 44 MET HB3 1 45 THR H 4.500 . 5.200 2.059 1.945 2.292 . 0 0 "[ . 1 . 2 ]" 1
121 1 57 GLN H 1 58 VAL H 4.500 . 5.200 2.558 2.496 2.598 . 0 0 "[ . 1 . 2 ]" 1
122 1 64 LYS HB2 1 65 GLY H 4.500 . 5.200 3.606 2.996 4.397 . 0 0 "[ . 1 . 2 ]" 1
123 1 47 ASP H 1 49 TYR H 4.500 . 5.200 4.345 4.166 4.535 . 0 0 "[ . 1 . 2 ]" 1
124 1 53 PRO HD3 1 56 LYS HB3 4.500 . 5.200 4.794 4.219 5.210 0.010 19 0 "[ . 1 . 2 ]" 1
125 1 64 LYS H 1 66 LEU H 4.500 . 5.200 3.618 3.052 3.941 . 0 0 "[ . 1 . 2 ]" 1
126 1 38 PHE H 1 39 GLU H 4.500 . 5.200 2.539 2.441 2.598 . 0 0 "[ . 1 . 2 ]" 1
127 1 37 ASP H 1 38 PHE H 4.500 . 5.200 2.454 2.380 2.489 . 0 0 "[ . 1 . 2 ]" 1
128 1 58 VAL H 1 60 LEU H 4.500 . 5.200 4.401 4.030 4.723 . 0 0 "[ . 1 . 2 ]" 1
129 1 56 LYS H 1 57 GLN H 4.500 . 5.200 2.651 2.613 2.686 . 0 0 "[ . 1 . 2 ]" 1
130 1 62 LYS HA 1 67 PHE H 4.500 . 5.200 3.832 3.020 4.655 . 0 0 "[ . 1 . 2 ]" 1
131 1 50 ASN H 1 50 ASN HD21 4.500 . 5.200 3.417 2.747 4.388 . 0 0 "[ . 1 . 2 ]" 1
132 1 13 ALA HA 1 16 LEU H 4.500 . 5.200 3.252 2.891 3.480 . 0 0 "[ . 1 . 2 ]" 1
133 1 39 GLU HG2 1 40 PHE H 4.500 . 5.200 4.885 4.773 4.990 . 0 0 "[ . 1 . 2 ]" 1
134 1 39 GLU HG3 1 40 PHE H 4.500 . 5.200 4.774 4.603 4.939 . 0 0 "[ . 1 . 2 ]" 1
135 1 27 LEU H 1 28 LYS H 4.500 . 5.200 2.529 2.110 2.675 . 0 0 "[ . 1 . 2 ]" 1
136 1 48 GLU H 1 49 TYR H 4.500 . 5.200 2.300 2.199 2.412 . 0 0 "[ . 1 . 2 ]" 1
137 1 39 GLU H 1 43 ASP H 4.500 . 5.200 4.588 4.341 4.948 . 0 0 "[ . 1 . 2 ]" 1
138 1 66 LEU H 1 67 PHE H 4.500 . 5.200 2.947 2.403 3.462 . 0 0 "[ . 1 . 2 ]" 1
139 1 45 THR H 1 48 GLU H 4.500 . 5.200 3.348 3.070 3.603 . 0 0 "[ . 1 . 2 ]" 1
140 1 42 LEU H 1 44 MET H 4.500 . 5.200 3.371 2.978 3.947 . 0 0 "[ . 1 . 2 ]" 1
141 1 42 LEU H 1 43 ASP H 4.500 . 5.200 2.016 1.727 2.372 0.073 12 0 "[ . 1 . 2 ]" 1
142 1 28 LYS H 1 29 LEU H 4.500 . 5.200 3.521 2.942 3.866 . 0 0 "[ . 1 . 2 ]" 1
143 1 47 ASP H 1 48 GLU H 4.500 . 5.200 2.380 2.323 2.446 . 0 0 "[ . 1 . 2 ]" 1
144 1 59 ASN H 1 61 LYS H 4.500 . 5.200 4.223 3.884 4.568 . 0 0 "[ . 1 . 2 ]" 1
145 1 59 ASN H 1 60 LEU H 4.500 . 5.200 3.019 2.811 3.191 . 0 0 "[ . 1 . 2 ]" 1
146 1 31 ILE H 1 32 TYR H 4.500 . 5.200 2.680 2.470 2.853 . 0 0 "[ . 1 . 2 ]" 1
147 1 55 TRP H 1 55 TRP HD1 2.700 . 3.300 3.403 3.373 3.435 0.135 16 0 "[ . 1 . 2 ]" 1
148 1 55 TRP H 1 55 TRP HE3 4.500 . 5.200 5.120 5.090 5.142 . 0 0 "[ . 1 . 2 ]" 1
149 1 38 PHE HZ 1 49 TYR H 4.500 . 5.200 5.030 4.893 5.199 . 0 0 "[ . 1 . 2 ]" 1
150 1 17 ALA H 1 18 ARG H 4.500 . 5.200 2.117 1.797 2.503 0.003 5 0 "[ . 1 . 2 ]" 1
151 1 55 TRP HZ3 1 59 ASN HD21 4.500 . 5.200 4.031 1.843 4.331 . 0 0 "[ . 1 . 2 ]" 1
152 1 55 TRP H 1 56 LYS H 4.500 . 5.200 2.239 2.200 2.282 . 0 0 "[ . 1 . 2 ]" 1
153 1 28 LYS HA 1 29 LEU H 4.500 . 5.200 2.224 2.136 2.381 . 0 0 "[ . 1 . 2 ]" 1
154 1 18 ARG HD2 1 20 LEU H 4.500 . 5.200 4.549 3.706 5.256 0.056 12 0 "[ . 1 . 2 ]" 1
155 1 26 PRO HD3 1 27 LEU H 4.500 . 5.200 4.101 3.616 4.398 . 0 0 "[ . 1 . 2 ]" 1
156 1 20 LEU H 1 21 PRO HD2 4.500 . 5.200 4.781 4.621 5.207 0.007 13 0 "[ . 1 . 2 ]" 1
157 1 21 PRO HA 1 22 GLU H 2.200 . 2.700 2.743 2.701 2.794 0.094 13 0 "[ . 1 . 2 ]" 1
158 1 35 ASP HA 1 39 GLU H 4.500 . 5.200 3.495 3.327 3.583 . 0 0 "[ . 1 . 2 ]" 1
159 1 36 GLU HA 1 39 GLU H 4.500 . 5.200 3.353 3.256 3.427 . 0 0 "[ . 1 . 2 ]" 1
160 1 65 GLY HA3 1 66 LEU H 4.500 . 5.200 3.343 3.188 3.558 . 0 0 "[ . 1 . 2 ]" 1
161 1 62 LYS HA 1 66 LEU H 4.500 . 5.200 3.765 2.900 4.676 . 0 0 "[ . 1 . 2 ]" 1
162 1 44 MET HA 1 45 THR H 2.700 . 3.300 2.855 2.679 2.917 . 0 0 "[ . 1 . 2 ]" 1
163 1 39 GLU HA 1 42 LEU H 4.500 . 5.200 4.195 3.675 4.456 . 0 0 "[ . 1 . 2 ]" 1
164 1 42 LEU H 1 43 ASP HA 4.500 . 5.200 4.224 3.961 4.629 . 0 0 "[ . 1 . 2 ]" 1
165 1 45 THR HB 1 47 ASP H 4.500 . 5.200 2.960 2.184 4.236 . 0 0 "[ . 1 . 2 ]" 1
166 1 45 THR HA 1 47 ASP H 4.500 . 5.200 4.014 3.883 4.306 . 0 0 "[ . 1 . 2 ]" 1
167 1 60 LEU HA 1 61 LYS H 4.500 . 5.200 3.512 3.392 3.588 . 0 0 "[ . 1 . 2 ]" 1
168 1 36 GLU HB2 1 39 GLU H 4.500 . 5.200 5.268 5.246 5.283 0.083 14 0 "[ . 1 . 2 ]" 1
169 1 59 ASN HA 1 60 LEU H 4.500 . 5.200 3.553 3.494 3.590 . 0 0 "[ . 1 . 2 ]" 1
170 1 21 PRO HG3 1 22 GLU H 4.500 . 5.200 4.424 4.275 4.573 . 0 0 "[ . 1 . 2 ]" 1
171 1 17 ALA HA 1 18 ARG H 2.700 . 3.300 2.790 2.677 3.109 . 0 0 "[ . 1 . 2 ]" 1
172 1 37 ASP HA 1 40 PHE H 4.500 . 5.200 3.490 3.312 3.694 . 0 0 "[ . 1 . 2 ]" 1
173 1 59 ASN HA 1 59 ASN HD21 4.500 . 5.200 4.288 1.850 4.415 . 0 0 "[ . 1 . 2 ]" 1
174 1 55 TRP H 1 55 TRP HA 2.700 . 3.300 2.888 2.885 2.892 . 0 0 "[ . 1 . 2 ]" 1
175 1 26 PRO HA 1 27 LEU H 4.500 . 5.200 3.505 3.353 3.587 . 0 0 "[ . 1 . 2 ]" 1
176 1 26 PRO HD2 1 27 LEU H 4.500 . 5.200 3.081 2.279 3.610 . 0 0 "[ . 1 . 2 ]" 1
177 1 48 GLU HA 1 49 TYR H 4.500 . 5.200 3.523 3.504 3.531 . 0 0 "[ . 1 . 2 ]" 1
178 1 46 ARG HA 1 49 TYR H 4.500 . 5.200 3.964 3.845 4.094 . 0 0 "[ . 1 . 2 ]" 1
179 1 38 PHE HA 1 39 GLU H 4.500 . 5.200 3.532 3.522 3.542 . 0 0 "[ . 1 . 2 ]" 1
180 1 38 PHE HB2 1 39 GLU H 4.500 . 5.200 2.931 2.826 3.220 . 0 0 "[ . 1 . 2 ]" 1
181 1 65 GLY HA2 1 66 LEU H 4.500 . 5.200 3.195 2.694 3.404 . 0 0 "[ . 1 . 2 ]" 1
182 1 61 LYS HA 1 66 LEU H 4.500 . 5.200 3.708 3.175 4.263 . 0 0 "[ . 1 . 2 ]" 1
183 1 41 ALA HA 1 42 LEU H 4.500 . 5.200 3.545 3.403 3.582 . 0 0 "[ . 1 . 2 ]" 1
184 1 24 VAL HA 1 25 ASP H 2.700 . 3.300 2.209 2.173 2.346 . 0 0 "[ . 1 . 2 ]" 1
185 1 29 LEU H 1 30 GLU HA 4.500 . 5.200 5.090 4.960 5.275 0.075 20 0 "[ . 1 . 2 ]" 1
186 1 46 ARG HA 1 47 ASP H 4.500 . 5.200 3.462 3.445 3.486 . 0 0 "[ . 1 . 2 ]" 1
187 1 56 LYS HA 1 60 LEU H 4.500 . 5.200 4.467 4.188 4.667 . 0 0 "[ . 1 . 2 ]" 1
188 1 57 GLN HA 1 60 LEU H 4.500 . 5.200 3.724 3.478 3.928 . 0 0 "[ . 1 . 2 ]" 1
189 1 30 GLU HA 1 31 ILE H 4.500 . 5.200 3.476 3.427 3.512 . 0 0 "[ . 1 . 2 ]" 1
190 1 40 PHE H 1 40 PHE HB3 2.700 . 3.300 2.970 2.602 3.303 0.003 5 0 "[ . 1 . 2 ]" 1
191 1 54 ALA HA 1 55 TRP H 4.500 . 5.200 3.442 3.407 3.487 . 0 0 "[ . 1 . 2 ]" 1
192 1 38 PHE HB3 1 39 GLU H 4.500 . 5.200 2.796 2.657 2.993 . 0 0 "[ . 1 . 2 ]" 1
193 1 39 GLU H 1 39 GLU HG3 4.500 . 5.200 2.962 2.748 3.344 . 0 0 "[ . 1 . 2 ]" 1
194 1 58 VAL HA 1 61 LYS H 4.500 . 5.200 3.124 2.918 3.283 . 0 0 "[ . 1 . 2 ]" 1
195 1 26 PRO HG3 1 27 LEU H 4.500 . 5.200 4.208 3.537 4.533 . 0 0 "[ . 1 . 2 ]" 1
196 1 44 MET HG2 1 49 TYR H 4.500 . 5.200 3.713 3.050 4.167 . 0 0 "[ . 1 . 2 ]" 1
197 1 22 GLU H 1 22 GLU HG2 4.500 . 5.200 4.611 4.398 4.774 . 0 0 "[ . 1 . 2 ]" 1
198 1 21 PRO HB3 1 22 GLU H 4.500 . 5.200 3.118 2.392 3.266 . 0 0 "[ . 1 . 2 ]" 1
199 1 48 GLU HB3 1 49 TYR H 4.500 . 5.200 2.179 2.058 2.424 . 0 0 "[ . 1 . 2 ]" 1
200 1 39 GLU H 1 39 GLU HG2 4.500 . 5.200 3.374 2.993 3.562 . 0 0 "[ . 1 . 2 ]" 1
201 1 36 GLU HB3 1 39 GLU H 4.500 . 5.200 5.272 5.248 5.289 0.089 8 0 "[ . 1 . 2 ]" 1
202 1 44 MET HG2 1 45 THR H 4.500 . 5.200 3.141 2.618 3.900 . 0 0 "[ . 1 . 2 ]" 1
203 1 44 MET HB2 1 45 THR H 4.500 . 5.200 3.550 3.489 3.728 . 0 0 "[ . 1 . 2 ]" 1
204 1 45 THR H 1 48 GLU HB3 4.500 . 5.200 1.988 1.911 2.135 . 0 0 "[ . 1 . 2 ]" 1
205 1 44 MET HG3 1 45 THR H 4.500 . 5.200 2.477 2.034 2.912 . 0 0 "[ . 1 . 2 ]" 1
206 1 45 THR H 1 48 GLU HB2 4.500 . 5.200 2.794 2.130 3.313 . 0 0 "[ . 1 . 2 ]" 1
207 1 47 ASP H 1 48 GLU HB2 4.500 . 5.200 4.397 4.071 4.668 . 0 0 "[ . 1 . 2 ]" 1
208 1 60 LEU HB3 1 61 LYS H 4.500 . 5.200 3.192 2.695 3.853 . 0 0 "[ . 1 . 2 ]" 1
209 1 53 PRO HB3 1 55 TRP H 4.500 . 5.200 3.382 3.168 3.850 . 0 0 "[ . 1 . 2 ]" 1
210 1 27 LEU H 1 27 LEU HG 4.500 . 5.200 3.646 2.080 4.003 . 0 0 "[ . 1 . 2 ]" 1
211 1 21 PRO HB2 1 22 GLU H 4.500 . 5.200 1.863 1.791 2.023 0.009 15 0 "[ . 1 . 2 ]" 1
212 1 66 LEU H 1 66 LEU HG 4.500 . 5.200 2.304 1.800 3.024 0.000 15 0 "[ . 1 . 2 ]" 1
213 1 24 VAL HB 1 25 ASP H 4.500 . 5.200 4.176 2.552 4.636 . 0 0 "[ . 1 . 2 ]" 1
214 1 46 ARG HB3 1 47 ASP H 4.500 . 5.200 2.942 2.788 3.098 . 0 0 "[ . 1 . 2 ]" 1
215 1 60 LEU HB2 1 61 LYS H 4.500 . 5.200 3.166 2.573 3.977 . 0 0 "[ . 1 . 2 ]" 1
216 1 60 LEU H 1 60 LEU HG 4.500 . 5.200 4.279 3.787 4.616 . 0 0 "[ . 1 . 2 ]" 1
217 1 53 PRO HB2 1 55 TRP H 4.500 . 5.200 2.894 2.677 3.032 . 0 0 "[ . 1 . 2 ]" 1
218 1 42 LEU H 1 42 LEU HG 4.500 . 5.200 3.591 3.245 4.187 . 0 0 "[ . 1 . 2 ]" 1
219 1 31 ILE H 1 31 ILE HG12 4.500 . 5.200 3.121 2.084 4.467 . 0 0 "[ . 1 . 2 ]" 1
220 1 43 ASP H 1 44 MET H 4.500 . 5.200 2.657 2.568 2.709 . 0 0 "[ . 1 . 2 ]" 1
221 1 58 VAL H 1 59 ASN H 4.500 . 5.200 2.527 2.432 2.606 . 0 0 "[ . 1 . 2 ]" 1
222 1 63 ALA H 1 64 LYS H 4.500 . 5.200 2.636 2.373 2.885 . 0 0 "[ . 1 . 2 ]" 1
223 1 55 TRP HZ3 1 59 ASN HD22 4.500 . 5.200 3.890 3.059 4.125 . 0 0 "[ . 1 . 2 ]" 1
224 1 52 LEU H 1 57 GLN HE21 4.500 . 5.200 4.379 4.229 4.512 . 0 0 "[ . 1 . 2 ]" 1
225 1 31 ILE HG12 1 32 TYR H 4.500 . 5.200 3.781 2.397 5.230 0.030 10 0 "[ . 1 . 2 ]" 1
226 1 24 VAL H 1 25 ASP H 4.500 . 5.200 4.379 4.019 4.583 . 0 0 "[ . 1 . 2 ]" 1
227 1 61 LYS HA 1 64 LYS H 4.500 . 5.200 3.562 3.264 3.912 . 0 0 "[ . 1 . 2 ]" 1
228 1 12 LEU H 1 15 LEU H 4.500 . 5.200 5.049 4.848 5.206 0.006 15 0 "[ . 1 . 2 ]" 1
229 1 63 ALA HA 1 64 LYS H 4.500 . 5.200 3.493 3.369 3.533 . 0 0 "[ . 1 . 2 ]" 1
230 1 51 ALA H 1 52 LEU H 4.500 . 5.200 2.023 1.940 2.121 . 0 0 "[ . 1 . 2 ]" 1
231 1 14 ASP HA 1 15 LEU H 4.500 . 5.200 3.481 3.402 3.548 . 0 0 "[ . 1 . 2 ]" 1
232 1 42 LEU HG 1 44 MET H 4.500 . 5.200 5.338 5.212 5.387 0.187 21 0 "[ . 1 . 2 ]" 1
233 1 31 ILE HA 1 32 TYR H 4.500 . 5.200 3.526 3.363 3.573 . 0 0 "[ . 1 . 2 ]" 1
234 1 32 TYR H 1 33 LEU H 4.500 . 5.200 2.899 2.278 3.105 . 0 0 "[ . 1 . 2 ]" 1
235 1 16 LEU H 1 17 ALA H 4.500 . 5.200 2.704 2.419 3.418 . 0 0 "[ . 1 . 2 ]" 1
236 1 55 TRP HE3 1 56 LYS H 4.500 . 5.200 4.428 4.325 4.512 . 0 0 "[ . 1 . 2 ]" 1
237 1 15 LEU H 1 17 ALA H 4.500 . 5.200 4.110 3.601 4.686 . 0 0 "[ . 1 . 2 ]" 1
238 1 51 ALA H 1 57 GLN HE21 4.500 . 5.200 5.217 5.199 5.267 0.067 17 0 "[ . 1 . 2 ]" 1
239 1 55 TRP HD1 1 56 LYS H 4.500 . 5.200 3.185 3.092 3.320 . 0 0 "[ . 1 . 2 ]" 1
240 1 56 LYS H 1 59 ASN H 4.500 . 5.200 4.252 4.181 4.297 . 0 0 "[ . 1 . 2 ]" 1
241 1 36 GLU HA 1 37 ASP H 4.500 . 5.200 3.556 3.540 3.566 . 0 0 "[ . 1 . 2 ]" 1
242 1 42 LEU HA 1 43 ASP H 4.500 . 5.200 3.305 3.128 3.432 . 0 0 "[ . 1 . 2 ]" 1
243 1 39 GLU HA 1 43 ASP H 4.500 . 5.200 2.927 2.423 3.204 . 0 0 "[ . 1 . 2 ]" 1
244 1 34 THR HA 1 37 ASP H 4.500 . 5.200 4.805 4.616 4.913 . 0 0 "[ . 1 . 2 ]" 1
245 1 11 PRO HA 1 12 LEU H 2.700 . 3.300 2.167 2.132 2.231 . 0 0 "[ . 1 . 2 ]" 1
246 1 55 TRP HA 1 58 VAL H 4.500 . 5.200 3.243 3.088 3.295 . 0 0 "[ . 1 . 2 ]" 1
247 1 59 ASN HA 1 63 ALA H 4.500 . 5.200 4.571 4.081 4.877 . 0 0 "[ . 1 . 2 ]" 1
248 1 63 ALA H 1 63 ALA HA 2.700 . 3.300 2.813 2.731 2.888 . 0 0 "[ . 1 . 2 ]" 1
249 1 62 LYS HA 1 63 ALA H 4.500 . 5.200 3.511 3.472 3.556 . 0 0 "[ . 1 . 2 ]" 1
250 1 50 ASN HA 1 50 ASN HD21 4.500 . 5.200 2.835 1.953 4.311 . 0 0 "[ . 1 . 2 ]" 1
251 1 8 THR HA 1 9 ILE H 2.700 . 3.300 2.181 2.114 2.350 . 0 0 "[ . 1 . 2 ]" 1
252 1 64 LYS HA 1 65 GLY H 4.500 . 5.200 3.418 3.088 3.469 . 0 0 "[ . 1 . 2 ]" 1
253 1 47 ASP HA 1 48 GLU H 4.500 . 5.200 3.363 3.358 3.372 . 0 0 "[ . 1 . 2 ]" 1
254 1 66 LEU HA 1 67 PHE H 4.500 . 5.200 3.530 3.492 3.568 . 0 0 "[ . 1 . 2 ]" 1
255 1 62 LYS HA 1 65 GLY H 4.500 . 5.200 3.152 2.589 3.536 . 0 0 "[ . 1 . 2 ]" 1
256 1 43 ASP HA 1 44 MET H 4.500 . 5.200 3.139 3.083 3.155 . 0 0 "[ . 1 . 2 ]" 1
257 1 39 GLU HA 1 44 MET H 2.700 . 3.300 3.223 2.587 3.368 0.068 10 0 "[ . 1 . 2 ]" 1
258 1 14 ASP H 1 14 ASP HA 2.700 . 3.300 2.768 2.700 2.818 . 0 0 "[ . 1 . 2 ]" 1
259 1 44 MET H 1 44 MET HG2 4.500 . 5.200 4.903 4.721 4.992 . 0 0 "[ . 1 . 2 ]" 1
260 1 61 LYS HA 1 67 PHE H 4.500 . 5.200 3.318 2.862 3.930 . 0 0 "[ . 1 . 2 ]" 1
261 1 51 ALA H 1 51 ALA HA 2.700 . 3.300 2.945 2.939 2.951 . 0 0 "[ . 1 . 2 ]" 1
262 1 54 ALA HA 1 58 VAL H 4.500 . 5.200 4.120 4.033 4.300 . 0 0 "[ . 1 . 2 ]" 1
263 1 57 GLN HA 1 58 VAL H 4.500 . 5.200 3.530 3.500 3.564 . 0 0 "[ . 1 . 2 ]" 1
264 1 54 ALA HA 1 57 GLN H 4.500 . 5.200 3.763 3.660 3.855 . 0 0 "[ . 1 . 2 ]" 1
265 1 65 GLY HA2 1 67 PHE H 4.500 . 5.200 5.266 5.209 5.344 0.144 19 0 "[ . 1 . 2 ]" 1
266 1 56 LYS HA 1 59 ASN H 4.500 . 5.200 3.024 2.903 3.121 . 0 0 "[ . 1 . 2 ]" 1
267 1 13 ALA HA 1 15 LEU H 4.500 . 5.200 4.073 3.702 4.505 . 0 0 "[ . 1 . 2 ]" 1
268 1 12 LEU HA 1 15 LEU H 4.500 . 5.200 3.583 3.422 3.801 . 0 0 "[ . 1 . 2 ]" 1
269 1 13 ALA HA 1 14 ASP H 4.500 . 5.200 3.538 3.513 3.561 . 0 0 "[ . 1 . 2 ]" 1
270 1 55 TRP HE3 1 56 LYS HA 4.500 . 5.200 3.845 3.675 3.936 . 0 0 "[ . 1 . 2 ]" 1
271 1 25 ASP HB2 1 28 LYS H 4.500 . 5.200 3.328 2.664 4.137 . 0 0 "[ . 1 . 2 ]" 1
272 1 12 LEU H 1 37 ASP HB2 4.500 . 5.200 4.023 3.794 4.254 . 0 0 "[ . 1 . 2 ]" 1
273 1 55 TRP HZ2 1 56 LYS HE2 4.500 . 5.200 3.188 2.142 3.957 . 0 0 "[ . 1 . 2 ]" 1
274 1 58 VAL HA 1 59 ASN H 4.500 . 5.200 3.552 3.531 3.569 . 0 0 "[ . 1 . 2 ]" 1
275 1 14 ASP HB2 1 15 LEU H 4.500 . 5.200 3.146 2.598 3.545 . 0 0 "[ . 1 . 2 ]" 1
276 1 43 ASP HB3 1 44 MET H 4.500 . 5.200 4.404 4.216 4.511 . 0 0 "[ . 1 . 2 ]" 1
277 1 14 ASP HB2 1 16 LEU H 4.500 . 5.200 5.083 4.672 5.310 0.110 11 0 "[ . 1 . 2 ]" 1
278 1 55 TRP HH2 1 56 LYS HE2 4.500 . 5.200 4.848 3.774 5.206 0.006 7 0 "[ . 1 . 2 ]" 1
279 1 55 TRP HH2 1 56 LYS HE3 4.500 . 5.200 4.718 3.906 5.215 0.015 3 0 "[ . 1 . 2 ]" 1
280 1 36 GLU HB3 1 37 ASP H 4.500 . 5.200 3.415 3.205 3.633 . 0 0 "[ . 1 . 2 ]" 1
281 1 36 GLU HB2 1 37 ASP H 4.500 . 5.200 2.309 2.239 2.398 . 0 0 "[ . 1 . 2 ]" 1
282 1 11 PRO HB3 1 12 LEU H 4.500 . 5.200 4.056 3.586 4.282 . 0 0 "[ . 1 . 2 ]" 1
283 1 36 GLU HG3 1 37 ASP H 4.500 . 5.200 4.325 4.002 4.752 . 0 0 "[ . 1 . 2 ]" 1
284 1 57 GLN HB3 1 58 VAL H 4.500 . 5.200 3.898 3.801 4.015 . 0 0 "[ . 1 . 2 ]" 1
285 1 11 PRO HB2 1 12 LEU H 4.500 . 5.200 3.920 3.484 4.127 . 0 0 "[ . 1 . 2 ]" 1
286 1 53 PRO HB3 1 55 TRP HD1 4.500 . 5.200 3.372 2.995 4.027 . 0 0 "[ . 1 . 2 ]" 1
287 1 47 ASP HB3 1 48 GLU H 4.500 . 5.200 4.002 3.424 4.416 . 0 0 "[ . 1 . 2 ]" 1
288 1 47 ASP HB2 1 48 GLU H 4.500 . 5.200 3.702 3.394 4.232 . 0 0 "[ . 1 . 2 ]" 1
289 1 57 GLN H 1 57 GLN HG3 4.500 . 5.200 3.279 3.127 3.435 . 0 0 "[ . 1 . 2 ]" 1
290 1 66 LEU HB3 1 67 PHE H 4.500 . 5.200 2.946 2.191 3.501 . 0 0 "[ . 1 . 2 ]" 1
291 1 14 ASP HB3 1 15 LEU H 4.500 . 5.200 3.412 3.288 3.596 . 0 0 "[ . 1 . 2 ]" 1
292 1 32 TYR H 1 33 LEU HG 4.500 . 5.200 3.174 2.836 3.324 . 0 0 "[ . 1 . 2 ]" 1
293 1 44 MET H 1 44 MET HG3 4.500 . 5.200 4.579 4.400 4.737 . 0 0 "[ . 1 . 2 ]" 1
294 1 11 PRO HB3 1 14 ASP H 4.500 . 5.200 4.044 3.878 4.233 . 0 0 "[ . 1 . 2 ]" 1
295 1 11 PRO HB2 1 14 ASP H 4.500 . 5.200 2.314 2.183 2.471 . 0 0 "[ . 1 . 2 ]" 1
296 1 27 LEU HG 1 28 LYS H 4.500 . 5.200 4.540 3.668 5.248 0.048 13 0 "[ . 1 . 2 ]" 1
297 1 12 LEU H 1 12 LEU HG 4.500 . 5.200 2.374 1.972 3.185 . 0 0 "[ . 1 . 2 ]" 1
298 1 53 PRO HB2 1 55 TRP HD1 4.500 . 5.200 3.559 2.981 3.978 . 0 0 "[ . 1 . 2 ]" 1
299 1 52 LEU HB3 1 57 GLN H 4.500 . 5.200 4.161 3.788 4.577 . 0 0 "[ . 1 . 2 ]" 1
300 1 56 LYS HB3 1 57 GLN H 4.500 . 5.200 2.806 2.682 3.059 . 0 0 "[ . 1 . 2 ]" 1
301 1 62 LYS HG3 1 67 PHE H 4.500 . 5.200 4.856 3.984 5.249 0.049 7 0 "[ . 1 . 2 ]" 1
302 1 62 LYS HG2 1 67 PHE H 4.500 . 5.200 4.905 3.906 5.233 0.033 13 0 "[ . 1 . 2 ]" 1
303 1 65 GLY H 1 66 LEU HB2 4.500 . 5.200 4.687 4.193 5.060 . 0 0 "[ . 1 . 2 ]" 1
304 1 59 ASN H 1 60 LEU HB2 4.500 . 5.200 4.993 4.787 5.219 0.019 11 0 "[ . 1 . 2 ]" 1
305 1 15 LEU HB2 1 16 LEU H 4.500 . 5.200 3.788 3.564 3.972 . 0 0 "[ . 1 . 2 ]" 1
306 1 26 PRO HG2 1 28 LYS H 4.500 . 5.200 5.076 4.458 5.267 0.067 17 0 "[ . 1 . 2 ]" 1
307 1 42 LEU HG 1 67 PHE H 4.500 . 5.200 5.375 5.296 5.448 0.248 10 0 "[ . 1 . 2 ]" 1
308 1 56 LYS HB2 1 57 GLN H 4.500 . 5.200 3.322 3.145 3.485 . 0 0 "[ . 1 . 2 ]" 1
309 1 52 LEU H 1 57 GLN HE22 4.500 . 5.200 4.905 4.670 5.102 . 0 0 "[ . 1 . 2 ]" 1
310 1 32 TYR HA 1 33 LEU H 4.500 . 5.200 2.917 2.761 3.194 . 0 0 "[ . 1 . 2 ]" 1
311 1 25 ASP HB3 1 28 LYS H 4.500 . 5.200 3.524 2.734 4.319 . 0 0 "[ . 1 . 2 ]" 1
312 1 27 LEU HB2 1 28 LYS H 4.500 . 5.200 4.227 3.972 4.443 . 0 0 "[ . 1 . 2 ]" 1
313 1 17 ALA H 1 17 ALA HA 2.700 . 3.300 2.650 2.316 2.786 . 0 0 "[ . 1 . 2 ]" 1
314 1 50 ASN HA 1 50 ASN HD22 4.500 . 5.200 3.654 3.211 4.405 . 0 0 "[ . 1 . 2 ]" 1
315 1 23 GLY HA3 1 24 VAL H 4.500 . 5.200 2.962 2.893 3.218 . 0 0 "[ . 1 . 2 ]" 1
316 1 50 ASN HA 1 57 GLN HE21 4.500 . 5.200 4.997 4.701 5.236 0.036 14 0 "[ . 1 . 2 ]" 1
317 1 31 ILE HA 1 33 LEU H 4.500 . 5.200 3.852 3.542 4.100 . 0 0 "[ . 1 . 2 ]" 1
318 1 50 ASN HA 1 57 GLN HE22 4.500 . 5.200 3.840 3.571 3.999 . 0 0 "[ . 1 . 2 ]" 1
319 1 55 TRP HZ3 1 56 LYS HA 4.500 . 5.200 4.161 3.937 4.287 . 0 0 "[ . 1 . 2 ]" 1
320 1 13 ALA HA 1 17 ALA H 4.500 . 5.200 4.773 3.496 5.295 0.095 9 0 "[ . 1 . 2 ]" 1
321 1 22 GLU HA 1 24 VAL H 4.500 . 5.200 3.420 2.570 3.646 . 0 0 "[ . 1 . 2 ]" 1
322 1 23 GLY HA2 1 24 VAL H 4.500 . 5.200 3.436 3.254 3.458 . 0 0 "[ . 1 . 2 ]" 1
323 1 38 PHE HZ 1 46 ARG HA 4.500 . 5.200 2.741 2.315 3.096 . 0 0 "[ . 1 . 2 ]" 1
324 1 38 PHE HZ 1 49 TYR HB2 4.500 . 5.200 3.291 3.096 3.570 . 0 0 "[ . 1 . 2 ]" 1
325 1 38 PHE HZ 1 49 TYR HB3 4.500 . 5.200 3.883 3.480 4.307 . 0 0 "[ . 1 . 2 ]" 1
326 1 30 GLU HB3 1 38 PHE HZ 4.500 . 5.200 3.935 3.083 4.453 . 0 0 "[ . 1 . 2 ]" 1
327 1 15 LEU HB2 1 17 ALA H 4.500 . 5.200 5.080 4.445 5.302 0.102 5 0 "[ . 1 . 2 ]" 1
328 1 52 LEU HB2 1 57 GLN HE21 4.500 . 5.200 3.604 3.251 3.855 . 0 0 "[ . 1 . 2 ]" 1
329 1 38 PHE HZ 1 46 ARG HG3 4.500 . 5.200 3.856 2.991 5.089 . 0 0 "[ . 1 . 2 ]" 1
330 1 38 PHE HZ 1 46 ARG HG2 4.500 . 5.200 4.472 3.349 5.237 0.037 15 0 "[ . 1 . 2 ]" 1
331 1 56 LYS H 1 58 VAL H 4.500 . 5.200 3.940 3.756 4.059 . 0 0 "[ . 1 . 2 ]" 1
332 1 55 TRP H 1 59 ASN H 4.500 . 5.200 5.410 5.392 5.437 0.237 17 0 "[ . 1 . 2 ]" 1
333 1 53 PRO HG2 1 55 TRP H 4.500 . 5.200 5.101 4.763 5.233 0.033 5 0 "[ . 1 . 2 ]" 1
334 1 46 ARG HG2 1 50 ASN HD21 4.500 . 5.200 3.831 3.058 5.091 . 0 0 "[ . 1 . 2 ]" 1
335 1 46 ARG HG2 1 50 ASN HD22 4.500 . 5.200 3.267 2.644 4.172 . 0 0 "[ . 1 . 2 ]" 1
336 1 55 TRP HA 1 56 LYS H 4.500 . 5.200 3.542 3.524 3.554 . 0 0 "[ . 1 . 2 ]" 1
337 1 55 TRP HB3 1 56 LYS H 4.500 . 5.200 3.316 3.266 3.399 . 0 0 "[ . 1 . 2 ]" 1
338 1 54 ALA HA 1 56 LYS H 4.500 . 5.200 4.666 4.509 4.798 . 0 0 "[ . 1 . 2 ]" 1
339 1 53 PRO HB3 1 56 LYS H 4.500 . 5.200 3.376 3.113 3.744 . 0 0 "[ . 1 . 2 ]" 1
340 1 53 PRO HG2 1 56 LYS H 4.500 . 5.200 3.840 3.382 4.103 . 0 0 "[ . 1 . 2 ]" 1
341 1 53 PRO HB2 1 56 LYS H 4.500 . 5.200 2.028 1.927 2.125 . 0 0 "[ . 1 . 2 ]" 1
342 1 56 LYS H 1 57 GLN HG2 4.500 . 5.200 3.968 3.800 4.187 . 0 0 "[ . 1 . 2 ]" 1
343 1 56 LYS H 1 56 LYS HG3 4.500 . 5.200 3.991 3.850 4.280 . 0 0 "[ . 1 . 2 ]" 1
344 1 56 LYS H 1 56 LYS HG2 4.500 . 5.200 4.632 4.566 4.670 . 0 0 "[ . 1 . 2 ]" 1
345 1 64 LYS HB2 1 66 LEU H 4.500 . 5.200 3.944 2.938 4.728 . 0 0 "[ . 1 . 2 ]" 1
346 1 39 GLU HA 1 40 PHE H 4.500 . 5.200 3.540 3.463 3.571 . 0 0 "[ . 1 . 2 ]" 1
347 1 56 LYS HA 1 59 ASN HD21 4.500 . 5.200 3.626 3.463 4.697 . 0 0 "[ . 1 . 2 ]" 1
348 1 30 GLU HG2 1 31 ILE H 4.500 . 5.200 3.198 2.194 4.080 . 0 0 "[ . 1 . 2 ]" 1
349 1 21 PRO HG2 1 24 VAL H 4.500 . 5.200 3.057 2.337 4.553 . 0 0 "[ . 1 . 2 ]" 1
350 1 33 LEU H 1 38 PHE HZ 4.500 . 5.200 5.273 5.152 5.368 0.168 13 0 "[ . 1 . 2 ]" 1
351 1 52 LEU HB3 1 57 GLN HE21 4.500 . 5.200 3.707 3.626 3.874 . 0 0 "[ . 1 . 2 ]" 1
352 1 52 LEU HB3 1 57 GLN HE22 4.500 . 5.200 5.214 5.207 5.219 0.019 14 0 "[ . 1 . 2 ]" 1
353 1 38 PHE HZ 1 46 ARG H 4.500 . 5.200 4.827 4.237 5.221 0.021 21 0 "[ . 1 . 2 ]" 1
354 1 56 LYS HA 1 59 ASN HD22 4.500 . 5.200 4.938 4.817 5.318 0.118 7 0 "[ . 1 . 2 ]" 1
355 1 64 LYS HB3 1 66 LEU H 4.500 . 5.200 3.341 2.664 4.731 . 0 0 "[ . 1 . 2 ]" 1
356 1 45 THR H 1 50 ASN H 4.500 . 5.200 5.418 5.382 5.469 0.269 15 0 "[ . 1 . 2 ]" 1
357 1 44 MET HB3 1 49 TYR H 4.500 . 5.200 3.565 3.300 3.883 . 0 0 "[ . 1 . 2 ]" 1
358 1 60 LEU H 1 61 LYS HB2 4.500 . 5.200 4.463 4.165 4.841 . 0 0 "[ . 1 . 2 ]" 1
359 1 58 VAL HA 1 60 LEU H 4.500 . 5.200 4.266 3.818 4.710 . 0 0 "[ . 1 . 2 ]" 1
360 1 55 TRP HA 1 55 TRP HD1 4.500 . 5.200 4.845 4.838 4.854 . 0 0 "[ . 1 . 2 ]" 1
361 1 42 LEU HA 1 44 MET H 4.500 . 5.200 4.256 4.201 4.328 . 0 0 "[ . 1 . 2 ]" 1
362 1 50 ASN HA 1 51 ALA H 4.500 . 5.200 3.482 3.462 3.507 . 0 0 "[ . 1 . 2 ]" 1
363 1 10 TYR HA 1 11 PRO HD3 4.500 . 5.200 2.607 2.533 2.704 . 0 0 "[ . 1 . 2 ]" 1
364 1 10 TYR HA 1 11 PRO HD2 4.500 . 5.200 2.039 1.885 2.308 . 0 0 "[ . 1 . 2 ]" 1
365 1 25 ASP HA 1 26 PRO HD3 4.500 . 5.200 2.515 2.111 2.836 . 0 0 "[ . 1 . 2 ]" 1
366 1 37 ASP HA 1 40 PHE HB3 4.500 . 5.200 3.568 2.795 4.248 . 0 0 "[ . 1 . 2 ]" 1
367 1 35 ASP HA 1 38 PHE HB2 4.500 . 5.200 1.929 1.828 2.211 . 0 0 "[ . 1 . 2 ]" 1
368 1 52 LEU HA 1 53 PRO HD2 4.500 . 5.200 2.694 2.033 3.057 . 0 0 "[ . 1 . 2 ]" 1
369 1 20 LEU HA 1 21 PRO HD3 4.500 . 5.200 2.339 1.928 2.517 . 0 0 "[ . 1 . 2 ]" 1
370 1 21 PRO HA 1 22 GLU HA 4.500 . 5.200 4.367 4.338 4.393 . 0 0 "[ . 1 . 2 ]" 1
371 1 26 PRO HA 1 26 PRO HD3 4.500 . 5.200 3.420 3.077 3.800 . 0 0 "[ . 1 . 2 ]" 1
372 1 37 ASP HA 1 40 PHE HB2 4.500 . 5.200 3.673 3.092 4.354 . 0 0 "[ . 1 . 2 ]" 1
373 1 18 ARG HA 1 18 ARG HD3 4.500 . 5.200 3.699 3.293 4.307 . 0 0 "[ . 1 . 2 ]" 1
374 1 18 ARG HA 1 18 ARG HD2 4.500 . 5.200 4.303 3.762 5.179 . 0 0 "[ . 1 . 2 ]" 1
375 1 35 ASP HA 1 38 PHE HB3 4.500 . 5.200 2.692 2.216 2.977 . 0 0 "[ . 1 . 2 ]" 1
376 1 52 LEU HA 1 53 PRO HD3 4.500 . 5.200 2.288 2.076 2.626 . 0 0 "[ . 1 . 2 ]" 1
377 1 20 LEU HA 1 21 PRO HD2 4.500 . 5.200 2.468 2.174 3.039 . 0 0 "[ . 1 . 2 ]" 1
378 1 54 ALA HA 1 57 GLN HB2 4.500 . 5.200 4.620 4.548 4.737 . 0 0 "[ . 1 . 2 ]" 1
379 1 55 TRP HA 1 58 VAL HB 4.500 . 5.200 2.413 2.006 4.558 . 0 0 "[ . 1 . 2 ]" 1
380 1 31 ILE HA 1 31 ILE HB 2.700 . 3.300 2.471 2.240 2.989 . 0 0 "[ . 1 . 2 ]" 1
381 1 49 TYR HA 1 52 LEU HG 4.500 . 5.200 4.376 3.788 4.698 . 0 0 "[ . 1 . 2 ]" 1
382 1 11 PRO HA 1 12 LEU HG 4.500 . 5.200 3.854 3.347 4.537 . 0 0 "[ . 1 . 2 ]" 1
383 1 60 LEU H 1 61 LYS HA 4.500 . 5.200 5.133 5.008 5.221 0.021 1 0 "[ . 1 . 2 ]" 1
384 1 48 GLU HA 1 51 ALA H 4.500 . 5.200 3.907 3.692 4.205 . 0 0 "[ . 1 . 2 ]" 1
385 1 57 GLN HA 1 57 GLN HE21 4.500 . 5.200 4.315 4.224 4.395 . 0 0 "[ . 1 . 2 ]" 1
386 1 56 LYS H 1 57 GLN HA 4.500 . 5.200 5.249 5.217 5.275 0.075 18 0 "[ . 1 . 2 ]" 1
387 1 22 GLU HA 1 25 ASP HA 4.500 . 5.200 5.327 5.269 5.450 0.250 7 0 "[ . 1 . 2 ]" 1
388 1 25 ASP HA 1 26 PRO HD2 4.500 . 5.200 2.028 1.794 2.513 0.006 5 0 "[ . 1 . 2 ]" 1
389 1 10 TYR HB3 1 11 PRO HD2 4.500 . 5.200 2.665 2.043 3.056 . 0 0 "[ . 1 . 2 ]" 1
390 1 18 ARG HD3 1 19 PRO HD2 4.500 . 5.200 2.681 1.798 3.675 0.002 22 0 "[ . 1 . 2 ]" 1
391 1 46 ARG HA 1 49 TYR HB2 4.500 . 5.200 3.330 3.156 3.526 . 0 0 "[ . 1 . 2 ]" 1
392 1 26 PRO HA 1 26 PRO HB3 2.700 . 3.300 2.277 2.249 2.317 . 0 0 "[ . 1 . 2 ]" 1
393 1 54 ALA HA 1 57 GLN HB3 4.500 . 5.200 3.951 3.796 4.159 . 0 0 "[ . 1 . 2 ]" 1
394 1 33 LEU HG 1 38 PHE HA 4.500 . 5.200 4.769 4.480 5.220 0.020 20 0 "[ . 1 . 2 ]" 1
395 1 10 TYR HB2 1 11 PRO HD2 4.500 . 5.200 4.034 3.611 4.281 . 0 0 "[ . 1 . 2 ]" 1
396 1 61 LYS HA 1 64 LYS HB3 4.500 . 5.200 4.103 3.304 5.204 0.004 7 0 "[ . 1 . 2 ]" 1
397 1 19 PRO HD3 1 19 PRO HG2 2.700 . 3.300 2.873 2.712 2.999 . 0 0 "[ . 1 . 2 ]" 1
398 1 19 PRO HD3 1 19 PRO HG3 2.700 . 3.300 2.297 2.262 2.328 . 0 0 "[ . 1 . 2 ]" 1
399 1 19 PRO HD2 1 19 PRO HG3 2.700 . 3.300 2.829 2.666 2.980 . 0 0 "[ . 1 . 2 ]" 1
400 1 61 LYS HA 1 66 LEU HB2 4.500 . 5.200 3.008 1.928 3.801 . 0 0 "[ . 1 . 2 ]" 1
401 1 20 LEU HB3 1 21 PRO HD3 4.500 . 5.200 4.119 3.407 4.621 . 0 0 "[ . 1 . 2 ]" 1
402 1 57 GLN HA 1 60 LEU HB2 4.500 . 5.200 3.696 3.068 4.378 . 0 0 "[ . 1 . 2 ]" 1
403 1 35 ASP H 1 37 ASP HB3 4.500 . 5.200 5.364 5.293 5.473 0.273 1 0 "[ . 1 . 2 ]" 1
404 1 39 GLU HG3 1 45 THR HA 4.500 . 5.200 5.137 4.464 5.221 0.021 3 0 "[ . 1 . 2 ]" 1
405 1 58 VAL HA 1 61 LYS HB2 4.500 . 5.200 2.203 1.806 2.654 . 0 0 "[ . 1 . 2 ]" 1
406 1 33 LEU HB3 1 37 ASP HB3 4.500 . 5.200 2.877 2.776 2.949 . 0 0 "[ . 1 . 2 ]" 1
407 1 33 LEU HB2 1 37 ASP HB3 4.500 . 5.200 1.975 1.887 2.110 . 0 0 "[ . 1 . 2 ]" 1
408 1 58 VAL HA 1 61 LYS HB3 4.500 . 5.200 3.525 2.634 4.142 . 0 0 "[ . 1 . 2 ]" 1
409 1 20 LEU HB3 1 21 PRO HD2 4.500 . 5.200 3.153 2.858 3.672 . 0 0 "[ . 1 . 2 ]" 1
410 1 33 LEU HB3 1 37 ASP HB2 4.500 . 5.200 3.848 3.733 3.953 . 0 0 "[ . 1 . 2 ]" 1
411 1 52 LEU HB2 1 53 PRO HD3 4.500 . 5.200 4.595 4.250 5.217 0.017 13 0 "[ . 1 . 2 ]" 1
412 1 61 LYS HB2 1 62 LYS H 4.500 . 5.200 2.734 2.176 3.255 . 0 0 "[ . 1 . 2 ]" 1
413 1 44 MET HG3 1 49 TYR H 4.500 . 5.200 4.212 3.412 4.762 . 0 0 "[ . 1 . 2 ]" 1
414 1 21 PRO HD2 1 24 VAL H 4.500 . 5.200 4.554 3.797 5.207 0.007 7 0 "[ . 1 . 2 ]" 1
415 1 39 GLU HG2 1 45 THR HA 4.500 . 5.200 5.017 4.049 5.222 0.022 14 0 "[ . 1 . 2 ]" 1
416 1 44 MET HA 1 48 GLU HB2 4.500 . 5.200 4.632 3.925 5.071 . 0 0 "[ . 1 . 2 ]" 1
417 1 61 LYS HB2 1 67 PHE HA 4.500 . 5.200 4.280 2.011 5.442 0.242 8 0 "[ . 1 . 2 ]" 1
418 1 14 ASP H 1 18 ARG HG3 4.500 . 5.200 5.112 4.815 5.256 0.056 7 0 "[ . 1 . 2 ]" 1
419 1 51 ALA H 1 52 LEU HG 4.500 . 5.200 4.955 4.282 5.219 0.019 19 0 "[ . 1 . 2 ]" 1
420 1 46 ARG HB2 1 46 ARG HE 4.500 . 5.200 3.740 1.887 5.092 . 0 0 "[ . 1 . 2 ]" 1
421 1 55 TRP HZ3 1 56 LYS HG3 4.500 . 5.200 5.236 5.220 5.260 0.060 19 0 "[ . 1 . 2 ]" 1
422 1 53 PRO HD3 1 56 LYS HB2 4.500 . 5.200 4.634 4.202 4.852 . 0 0 "[ . 1 . 2 ]" 1
423 1 30 GLU H 1 38 PHE QE 4.500 . 5.700 5.375 5.057 5.582 . 0 0 "[ . 1 . 2 ]" 1
424 1 46 ARG H 1 46 ARG QD 4.500 . 5.700 4.417 4.067 4.695 . 0 0 "[ . 1 . 2 ]" 1
425 1 13 ALA H 1 16 LEU MD2 4.500 . 5.700 5.078 3.312 5.712 0.012 6 0 "[ . 1 . 2 ]" 1
426 1 38 PHE QE 1 50 ASN H 4.500 . 5.700 5.426 5.225 5.553 . 0 0 "[ . 1 . 2 ]" 1
427 1 55 TRP H 1 55 TRP HE1 4.500 . 5.700 4.705 4.669 4.727 . 0 0 "[ . 1 . 2 ]" 1
428 1 53 PRO HG3 1 55 TRP HE1 4.500 . 5.700 5.478 4.716 5.728 0.028 1 0 "[ . 1 . 2 ]" 1
429 1 53 PRO HB3 1 55 TRP HE1 4.500 . 5.700 4.794 4.432 5.232 . 0 0 "[ . 1 . 2 ]" 1
430 1 53 PRO HG2 1 55 TRP HE1 4.500 . 5.700 4.821 4.252 5.705 0.005 9 0 "[ . 1 . 2 ]" 1
431 1 53 PRO HB2 1 55 TRP HE1 4.500 . 5.700 4.540 4.082 4.861 . 0 0 "[ . 1 . 2 ]" 1
432 1 58 VAL MG2 1 62 LYS H 4.500 . 5.700 5.083 4.195 5.440 . 0 0 "[ . 1 . 2 ]" 1
433 1 41 ALA H 1 42 LEU QB 4.500 . 5.700 4.596 4.174 5.373 . 0 0 "[ . 1 . 2 ]" 1
434 1 27 LEU H 1 28 LYS QG 4.500 . 5.700 3.883 3.017 4.674 . 0 0 "[ . 1 . 2 ]" 1
435 1 16 LEU MD1 1 66 LEU H 4.500 . 5.700 3.699 2.654 5.657 . 0 0 "[ . 1 . 2 ]" 1
436 1 28 LYS QG 1 29 LEU H 4.500 . 5.700 4.286 3.978 4.436 . 0 0 "[ . 1 . 2 ]" 1
437 1 30 GLU H 1 32 TYR QD 4.500 . 5.700 5.637 5.336 5.801 0.101 9 0 "[ . 1 . 2 ]" 1
438 1 30 GLU H 1 32 TYR QE 4.500 . 5.700 5.187 4.788 5.440 . 0 0 "[ . 1 . 2 ]" 1
439 1 51 ALA MB 1 52 LEU H 4.500 . 5.700 2.783 2.693 2.904 . 0 0 "[ . 1 . 2 ]" 1
440 1 58 VAL H 1 58 VAL MG1 4.500 . 5.700 3.673 2.030 3.796 . 0 0 "[ . 1 . 2 ]" 1
441 1 58 VAL MG2 1 59 ASN H 4.500 . 5.700 3.856 2.200 4.082 . 0 0 "[ . 1 . 2 ]" 1
442 1 15 LEU H 1 15 LEU MD1 4.500 . 5.700 3.484 3.116 3.606 . 0 0 "[ . 1 . 2 ]" 1
443 1 34 THR H 1 34 THR MG 4.500 . 5.700 2.478 1.936 3.573 . 0 0 "[ . 1 . 2 ]" 1
444 1 30 GLU H 1 31 ILE MG 4.500 . 5.700 4.399 3.798 5.846 0.146 10 0 "[ . 1 . 2 ]" 1
445 1 30 GLU H 1 33 LEU MD1 4.500 . 5.700 4.242 4.087 4.409 . 0 0 "[ . 1 . 2 ]" 1
446 1 30 GLU H 1 33 LEU MD2 4.500 . 5.700 3.276 2.983 3.658 . 0 0 "[ . 1 . 2 ]" 1
447 1 30 GLU H 1 66 LEU MD2 4.500 . 5.700 5.266 4.539 5.745 0.045 6 0 "[ . 1 . 2 ]" 1
448 1 33 LEU MD2 1 34 THR H 4.500 . 5.700 5.302 5.175 5.384 . 0 0 "[ . 1 . 2 ]" 1
449 1 9 ILE MG 1 34 THR H 4.500 . 5.700 2.275 1.775 4.000 0.025 21 0 "[ . 1 . 2 ]" 1
450 1 33 LEU MD1 1 34 THR H 4.500 . 5.700 4.428 4.161 4.563 . 0 0 "[ . 1 . 2 ]" 1
451 1 33 LEU MD2 1 38 PHE H 4.500 . 5.700 5.064 4.805 5.273 . 0 0 "[ . 1 . 2 ]" 1
452 1 30 GLU H 1 66 LEU MD1 4.500 . 5.700 4.204 3.108 5.710 0.010 19 0 "[ . 1 . 2 ]" 1
453 1 16 LEU H 1 16 LEU MD2 4.500 . 5.700 4.235 3.455 4.416 . 0 0 "[ . 1 . 2 ]" 1
454 1 10 TYR H 1 32 TYR QD 4.500 . 5.700 3.497 2.801 4.503 . 0 0 "[ . 1 . 2 ]" 1
455 1 15 LEU HA 1 15 LEU MD1 4.500 . 5.700 4.026 3.840 4.121 . 0 0 "[ . 1 . 2 ]" 1
456 1 15 LEU HA 1 15 LEU MD2 4.500 . 5.700 3.598 3.303 3.873 . 0 0 "[ . 1 . 2 ]" 1
457 1 16 LEU MD1 1 65 GLY HA3 4.500 . 5.700 3.334 1.947 5.132 . 0 0 "[ . 1 . 2 ]" 1
458 1 60 LEU HA 1 60 LEU MD1 4.500 . 5.700 2.062 1.925 2.263 . 0 0 "[ . 1 . 2 ]" 1
459 1 21 PRO HA 1 24 VAL MG1 4.500 . 5.700 5.346 4.924 5.737 0.037 3 0 "[ . 1 . 2 ]" 1
460 1 61 LYS HB3 1 67 PHE QB 4.500 . 5.700 2.829 1.729 3.979 0.071 3 0 "[ . 1 . 2 ]" 1
461 1 38 PHE H 1 38 PHE QD 4.500 . 5.700 3.571 3.297 3.874 . 0 0 "[ . 1 . 2 ]" 1
462 1 35 ASP H 1 38 PHE QD 4.500 . 5.700 3.833 3.499 3.938 . 0 0 "[ . 1 . 2 ]" 1
463 1 38 PHE QD 1 46 ARG H 4.500 . 5.700 2.837 2.369 3.405 . 0 0 "[ . 1 . 2 ]" 1
464 1 40 PHE QD 1 41 ALA H 4.500 . 5.700 4.589 3.471 4.869 . 0 0 "[ . 1 . 2 ]" 1
465 1 10 TYR H 1 10 TYR QD 4.500 . 5.700 2.797 2.229 3.765 . 0 0 "[ . 1 . 2 ]" 1
466 1 38 PHE QE 1 46 ARG H 4.500 . 5.700 3.389 2.694 3.807 . 0 0 "[ . 1 . 2 ]" 1
467 1 58 VAL H 1 59 ASN QB 4.500 . 5.700 4.218 4.130 4.297 . 0 0 "[ . 1 . 2 ]" 1
468 1 34 THR MG 1 37 ASP H 4.500 . 5.700 3.308 1.911 4.857 . 0 0 "[ . 1 . 2 ]" 1
469 1 46 ARG QD 1 47 ASP H 4.500 . 5.700 4.845 4.249 5.634 . 0 0 "[ . 1 . 2 ]" 1
470 1 13 ALA MB 1 14 ASP H 4.500 . 5.700 2.401 2.053 2.689 . 0 0 "[ . 1 . 2 ]" 1
471 1 59 ASN QB 1 62 LYS H 4.500 . 5.700 5.413 4.930 5.717 0.017 13 0 "[ . 1 . 2 ]" 1
472 1 62 LYS H 1 67 PHE QB 4.500 . 5.700 3.998 3.242 5.716 0.016 19 0 "[ . 1 . 2 ]" 1
473 1 22 GLU QB 1 23 GLY H 4.500 . 5.700 2.840 2.537 3.358 . 0 0 "[ . 1 . 2 ]" 1
474 1 34 THR MG 1 35 ASP H 4.500 . 5.700 3.011 2.010 3.784 . 0 0 "[ . 1 . 2 ]" 1
475 1 45 THR MG 1 46 ARG H 4.500 . 5.700 3.814 3.191 4.143 . 0 0 "[ . 1 . 2 ]" 1
476 1 12 LEU MD2 1 13 ALA H 4.500 . 5.700 3.792 3.537 4.075 . 0 0 "[ . 1 . 2 ]" 1
477 1 62 LYS H 1 62 LYS QD 4.500 . 5.700 3.901 3.273 4.544 . 0 0 "[ . 1 . 2 ]" 1
478 1 50 ASN H 1 51 ALA MB 4.500 . 5.700 4.556 4.468 4.672 . 0 0 "[ . 1 . 2 ]" 1
479 1 34 THR MG 1 36 GLU H 4.500 . 5.700 3.061 1.900 4.350 . 0 0 "[ . 1 . 2 ]" 1
480 1 41 ALA H 1 41 ALA MB 2.700 . 3.800 2.327 2.221 2.368 . 0 0 "[ . 1 . 2 ]" 1
481 1 12 LEU MD2 1 41 ALA H 4.500 . 5.700 4.289 3.142 5.253 . 0 0 "[ . 1 . 2 ]" 1
482 1 33 LEU MD1 1 38 PHE H 4.500 . 5.700 3.173 3.014 3.371 . 0 0 "[ . 1 . 2 ]" 1
483 1 9 ILE MD 1 10 TYR H 4.500 . 5.700 3.915 1.990 4.941 . 0 0 "[ . 1 . 2 ]" 1
484 1 9 ILE MG 1 10 TYR H 4.500 . 5.700 2.809 1.939 4.195 . 0 0 "[ . 1 . 2 ]" 1
485 1 10 TYR H 1 15 LEU MD1 4.500 . 5.700 4.961 4.433 5.624 . 0 0 "[ . 1 . 2 ]" 1
486 1 20 LEU H 1 20 LEU MD2 4.500 . 5.700 2.835 1.777 3.617 0.023 5 0 "[ . 1 . 2 ]" 1
487 1 12 LEU MD1 1 41 ALA H 4.500 . 5.700 5.065 3.722 5.717 0.017 9 0 "[ . 1 . 2 ]" 1
488 1 20 LEU H 1 20 LEU MD1 4.500 . 5.700 2.838 1.823 3.879 . 0 0 "[ . 1 . 2 ]" 1
489 1 28 LYS H 1 28 LYS QD 4.500 . 5.700 4.301 3.703 4.847 . 0 0 "[ . 1 . 2 ]" 1
490 1 66 LEU HB2 1 67 PHE QE 4.500 . 5.700 5.838 5.744 5.991 0.291 14 0 "[ . 1 . 2 ]" 1
491 1 14 ASP H 1 15 LEU MD1 4.500 . 5.700 5.236 4.947 5.395 . 0 0 "[ . 1 . 2 ]" 1
492 1 49 TYR H 1 49 TYR QD 4.500 . 5.700 3.036 2.546 3.545 . 0 0 "[ . 1 . 2 ]" 1
493 1 38 PHE QD 1 39 GLU H 4.500 . 5.700 4.470 4.404 4.531 . 0 0 "[ . 1 . 2 ]" 1
494 1 40 PHE H 1 40 PHE QD 4.500 . 5.700 3.943 3.519 4.217 . 0 0 "[ . 1 . 2 ]" 1
495 1 38 PHE QE 1 49 TYR H 4.500 . 5.700 4.706 4.374 4.882 . 0 0 "[ . 1 . 2 ]" 1
496 1 38 PHE QE 1 45 THR H 4.500 . 5.700 4.853 4.489 5.050 . 0 0 "[ . 1 . 2 ]" 1
497 1 25 ASP H 1 32 TYR QE 4.500 . 5.700 2.419 1.834 3.691 . 0 0 "[ . 1 . 2 ]" 1
498 1 29 LEU MD1 1 66 LEU H 4.500 . 5.700 4.380 4.015 5.286 . 0 0 "[ . 1 . 2 ]" 1
499 1 59 ASN QB 1 61 LYS H 4.500 . 5.700 4.536 4.162 4.968 . 0 0 "[ . 1 . 2 ]" 1
500 1 59 ASN QB 1 60 LEU H 4.500 . 5.700 2.363 2.071 2.744 . 0 0 "[ . 1 . 2 ]" 1
501 1 22 GLU H 1 22 GLU QB 2.700 . 3.800 2.371 2.266 2.414 . 0 0 "[ . 1 . 2 ]" 1
502 1 29 LEU H 1 61 LYS QE 4.500 . 5.700 4.265 2.001 5.767 0.067 5 0 "[ . 1 . 2 ]" 1
503 1 39 GLU QB 1 40 PHE H 4.500 . 5.700 2.643 2.457 2.952 . 0 0 "[ . 1 . 2 ]" 1
504 1 45 THR H 1 45 THR MG 2.700 . 3.800 2.788 2.057 3.496 . 0 0 "[ . 1 . 2 ]" 1
505 1 41 ALA MB 1 42 LEU H 4.500 . 5.700 2.436 2.121 3.101 . 0 0 "[ . 1 . 2 ]" 1
506 1 45 THR MG 1 47 ASP H 4.500 . 5.700 3.868 2.298 4.254 . 0 0 "[ . 1 . 2 ]" 1
507 1 61 LYS H 1 61 LYS QG 4.500 . 5.700 3.013 1.933 3.970 . 0 0 "[ . 1 . 2 ]" 1
508 1 31 ILE H 1 31 ILE QG 4.500 . 5.700 2.396 1.966 4.073 . 0 0 "[ . 1 . 2 ]" 1
509 1 40 PHE H 1 41 ALA MB 4.500 . 5.700 4.129 3.950 4.655 . 0 0 "[ . 1 . 2 ]" 1
510 1 54 ALA MB 1 55 TRP H 2.700 . 3.800 3.007 2.880 3.117 . 0 0 "[ . 1 . 2 ]" 1
511 1 27 LEU H 1 27 LEU MD2 4.500 . 5.700 2.508 1.825 3.702 . 0 0 "[ . 1 . 2 ]" 1
512 1 27 LEU H 1 27 LEU MD1 4.500 . 5.700 2.086 1.786 3.665 0.014 1 0 "[ . 1 . 2 ]" 1
513 1 66 LEU H 1 66 LEU MD2 4.500 . 5.700 3.405 2.656 4.209 . 0 0 "[ . 1 . 2 ]" 1
514 1 42 LEU H 1 42 LEU MD1 4.500 . 5.700 3.421 1.888 4.251 . 0 0 "[ . 1 . 2 ]" 1
515 1 60 LEU MD2 1 61 LYS H 4.500 . 5.700 4.495 3.975 5.130 . 0 0 "[ . 1 . 2 ]" 1
516 1 29 LEU H 1 29 LEU MD1 4.500 . 5.700 3.718 2.417 4.218 . 0 0 "[ . 1 . 2 ]" 1
517 1 29 LEU H 1 29 LEU MD2 4.500 . 5.700 2.809 2.287 4.123 . 0 0 "[ . 1 . 2 ]" 1
518 1 58 VAL MG2 1 61 LYS H 4.500 . 5.700 4.948 4.771 5.132 . 0 0 "[ . 1 . 2 ]" 1
519 1 60 LEU H 1 60 LEU MD2 4.500 . 5.700 3.095 2.011 4.249 . 0 0 "[ . 1 . 2 ]" 1
520 1 60 LEU H 1 60 LEU MD1 4.500 . 5.700 3.714 2.924 4.130 . 0 0 "[ . 1 . 2 ]" 1
521 1 31 ILE H 1 31 ILE MG 2.700 . 3.800 2.351 1.828 3.648 . 0 0 "[ . 1 . 2 ]" 1
522 1 31 ILE H 1 31 ILE MD 4.500 . 5.700 3.458 1.896 3.799 . 0 0 "[ . 1 . 2 ]" 1
523 1 24 VAL MG2 1 25 ASP H 4.500 . 5.700 3.774 3.376 4.180 . 0 0 "[ . 1 . 2 ]" 1
524 1 42 LEU H 1 42 LEU MD2 4.500 . 5.700 4.383 3.727 4.643 . 0 0 "[ . 1 . 2 ]" 1
525 1 10 TYR H 1 15 LEU MD2 4.500 . 5.700 3.680 3.260 3.996 . 0 0 "[ . 1 . 2 ]" 1
526 1 64 LYS H 1 64 LYS QE 4.500 . 5.700 4.683 3.671 5.703 0.003 8 0 "[ . 1 . 2 ]" 1
527 1 66 LEU MD1 1 67 PHE H 4.500 . 5.700 3.521 2.941 3.892 . 0 0 "[ . 1 . 2 ]" 1
528 1 31 ILE H 1 32 TYR QE 4.500 . 5.700 5.215 4.828 5.575 . 0 0 "[ . 1 . 2 ]" 1
529 1 63 ALA MB 1 65 GLY H 4.500 . 5.700 4.427 4.305 4.698 . 0 0 "[ . 1 . 2 ]" 1
530 1 15 LEU H 1 15 LEU MD2 4.500 . 5.700 2.481 1.822 3.228 . 0 0 "[ . 1 . 2 ]" 1
531 1 38 PHE QD 1 44 MET H 4.500 . 5.700 3.067 2.824 3.464 . 0 0 "[ . 1 . 2 ]" 1
532 1 38 PHE HZ 1 49 TYR QD 2.700 . 3.800 3.270 2.844 3.811 0.011 7 0 "[ . 1 . 2 ]" 1
533 1 42 LEU H 1 66 LEU MD1 4.500 . 5.700 3.973 3.077 4.919 . 0 0 "[ . 1 . 2 ]" 1
534 1 42 LEU MD2 1 61 LYS H 4.500 . 5.700 2.415 1.840 4.885 . 0 0 "[ . 1 . 2 ]" 1
535 1 27 LEU HA 1 67 PHE QE 4.500 . 5.700 3.454 2.098 5.210 . 0 0 "[ . 1 . 2 ]" 1
536 1 37 ASP HA 1 40 PHE QD 4.500 . 5.700 5.006 4.414 5.479 . 0 0 "[ . 1 . 2 ]" 1
537 1 40 PHE HA 1 40 PHE QD 2.700 . 3.800 2.630 2.067 3.058 . 0 0 "[ . 1 . 2 ]" 1
538 1 38 PHE QD 1 45 THR HA 4.500 . 5.700 3.320 2.837 3.584 . 0 0 "[ . 1 . 2 ]" 1
539 1 38 PHE QD 1 39 GLU HA 4.500 . 5.700 4.984 4.671 5.269 . 0 0 "[ . 1 . 2 ]" 1
540 1 40 PHE QD 1 41 ALA HA 4.500 . 5.700 4.552 3.289 5.439 . 0 0 "[ . 1 . 2 ]" 1
541 1 38 PHE QD 1 46 ARG HA 4.500 . 5.700 3.750 3.410 4.139 . 0 0 "[ . 1 . 2 ]" 1
542 1 59 ASN H 1 59 ASN QB 2.200 . 3.200 2.181 2.149 2.214 . 0 0 "[ . 1 . 2 ]" 1
543 1 67 PHE QB 1 67 PHE QD 2.700 . 3.800 2.169 2.115 2.286 . 0 0 "[ . 1 . 2 ]" 1
544 1 35 ASP HB2 1 38 PHE QD 4.500 . 5.700 5.254 5.120 5.574 . 0 0 "[ . 1 . 2 ]" 1
545 1 50 ASN QB 1 51 ALA H 4.500 . 5.700 2.974 2.888 3.063 . 0 0 "[ . 1 . 2 ]" 1
546 1 62 LYS QB 1 63 ALA H 4.500 . 5.700 2.710 2.459 2.945 . 0 0 "[ . 1 . 2 ]" 1
547 1 48 GLU H 1 48 GLU QG 4.500 . 5.700 4.026 3.914 4.137 . 0 0 "[ . 1 . 2 ]" 1
548 1 39 GLU QB 1 44 MET H 4.500 . 5.700 5.265 4.674 5.398 . 0 0 "[ . 1 . 2 ]" 1
549 1 48 GLU HB3 1 49 TYR QD 4.500 . 5.700 3.453 2.733 4.299 . 0 0 "[ . 1 . 2 ]" 1
550 1 33 LEU HG 1 38 PHE QD 4.500 . 5.700 4.531 4.187 4.819 . 0 0 "[ . 1 . 2 ]" 1
551 1 28 LYS H 1 28 LYS QG 4.500 . 5.700 2.550 1.974 2.910 . 0 0 "[ . 1 . 2 ]" 1
552 1 41 ALA MB 1 43 ASP H 4.500 . 5.700 4.077 3.771 4.546 . 0 0 "[ . 1 . 2 ]" 1
553 1 42 LEU QB 1 43 ASP H 4.500 . 5.700 3.356 3.102 3.626 . 0 0 "[ . 1 . 2 ]" 1
554 1 12 LEU H 1 12 LEU MD2 4.500 . 5.700 2.769 1.972 3.333 . 0 0 "[ . 1 . 2 ]" 1
555 1 63 ALA H 1 63 ALA MB 2.200 . 3.200 2.151 2.065 2.242 . 0 0 "[ . 1 . 2 ]" 1
556 1 54 ALA MB 1 55 TRP HD1 4.500 . 5.700 5.527 5.368 5.654 . 0 0 "[ . 1 . 2 ]" 1
557 1 63 ALA MB 1 64 LYS H 4.500 . 5.700 2.813 2.604 3.203 . 0 0 "[ . 1 . 2 ]" 1
558 1 64 LYS H 1 64 LYS QG 4.500 . 5.700 3.726 2.508 4.137 . 0 0 "[ . 1 . 2 ]" 1
559 1 61 LYS HB3 1 67 PHE QE 4.500 . 5.700 5.097 3.708 5.967 0.267 11 0 "[ . 1 . 2 ]" 1
560 1 8 THR MG 1 9 ILE H 4.500 . 5.700 3.465 2.147 4.258 . 0 0 "[ . 1 . 2 ]" 1
561 1 13 ALA MB 1 15 LEU H 4.500 . 5.700 4.305 4.055 4.518 . 0 0 "[ . 1 . 2 ]" 1
562 1 31 ILE QG 1 32 TYR H 4.500 . 5.700 2.539 1.945 4.573 . 0 0 "[ . 1 . 2 ]" 1
563 1 44 MET H 1 45 THR MG 4.500 . 5.700 4.905 4.627 5.723 0.023 1 0 "[ . 1 . 2 ]" 1
564 1 42 LEU QB 1 44 MET H 4.500 . 5.700 2.684 2.588 2.784 . 0 0 "[ . 1 . 2 ]" 1
565 1 16 LEU H 1 17 ALA MB 4.500 . 5.700 4.617 4.012 5.013 . 0 0 "[ . 1 . 2 ]" 1
566 1 12 LEU MD2 1 40 PHE QE 4.500 . 5.700 4.821 3.844 5.531 . 0 0 "[ . 1 . 2 ]" 1
567 1 62 LYS QD 1 67 PHE QD 4.500 . 5.700 4.701 3.633 5.607 . 0 0 "[ . 1 . 2 ]" 1
568 1 62 LYS HG3 1 67 PHE QD 4.500 . 5.700 4.023 2.429 5.187 . 0 0 "[ . 1 . 2 ]" 1
569 1 62 LYS HG2 1 67 PHE QD 4.500 . 5.700 4.051 2.508 5.234 . 0 0 "[ . 1 . 2 ]" 1
570 1 55 TRP HH2 1 56 LYS QD 4.500 . 5.700 5.619 4.347 5.725 0.025 5 0 "[ . 1 . 2 ]" 1
571 1 40 PHE QD 1 41 ALA MB 4.500 . 5.700 4.779 3.001 5.485 . 0 0 "[ . 1 . 2 ]" 1
572 1 12 LEU MD2 1 40 PHE QD 2.700 . 3.800 3.362 1.984 3.818 0.018 5 0 "[ . 1 . 2 ]" 1
573 1 51 ALA H 1 51 ALA MB 2.200 . 3.200 2.352 2.236 2.458 . 0 0 "[ . 1 . 2 ]" 1
574 1 28 LYS H 1 31 ILE MG 4.500 . 5.700 5.287 4.263 5.710 0.010 10 0 "[ . 1 . 2 ]" 1
575 1 12 LEU H 1 33 LEU MD2 4.500 . 5.700 5.518 4.958 5.784 0.084 19 0 "[ . 1 . 2 ]" 1
576 1 12 LEU H 1 12 LEU MD1 4.500 . 5.700 3.831 3.517 4.239 . 0 0 "[ . 1 . 2 ]" 1
577 1 58 VAL H 1 58 VAL MG2 4.500 . 5.700 2.376 2.119 2.701 . 0 0 "[ . 1 . 2 ]" 1
578 1 66 LEU MD2 1 67 PHE H 4.500 . 5.700 4.265 4.015 4.445 . 0 0 "[ . 1 . 2 ]" 1
579 1 58 VAL MG1 1 59 ASN H 2.700 . 3.800 3.424 3.077 3.748 . 0 0 "[ . 1 . 2 ]" 1
580 1 15 LEU MD2 1 32 TYR QD 4.500 . 5.700 2.785 1.901 4.011 . 0 0 "[ . 1 . 2 ]" 1
581 1 15 LEU MD1 1 32 TYR QD 4.500 . 5.700 2.837 1.935 3.558 . 0 0 "[ . 1 . 2 ]" 1
582 1 29 LEU MD2 1 32 TYR QD 2.700 . 3.800 3.818 3.406 3.960 0.160 17 0 "[ . 1 . 2 ]" 1
583 1 27 LEU MD2 1 67 PHE QE 2.700 . 3.800 3.928 3.810 4.002 0.202 3 0 "[ . 1 . 2 ]" 1
584 1 32 TYR H 1 33 LEU MD2 4.500 . 5.700 3.567 3.194 3.874 . 0 0 "[ . 1 . 2 ]" 1
585 1 15 LEU H 1 66 LEU MD2 4.500 . 5.700 5.519 4.837 5.768 0.068 8 0 "[ . 1 . 2 ]" 1
586 1 15 LEU MD1 1 16 LEU H 4.500 . 5.700 3.510 2.707 4.218 . 0 0 "[ . 1 . 2 ]" 1
587 1 58 VAL MG1 1 67 PHE HZ 4.500 . 5.700 4.918 1.903 5.836 0.136 7 0 "[ . 1 . 2 ]" 1
588 1 16 LEU H 1 16 LEU MD1 2.700 . 3.800 3.889 3.683 3.977 0.177 13 0 "[ . 1 . 2 ]" 1
589 1 14 ASP H 1 15 LEU MD2 4.500 . 5.700 3.761 3.296 4.461 . 0 0 "[ . 1 . 2 ]" 1
590 1 29 LEU MD2 1 32 TYR H 4.500 . 5.700 5.039 4.797 5.716 0.016 16 0 "[ . 1 . 2 ]" 1
591 1 52 LEU H 1 52 LEU MD2 4.500 . 5.700 4.205 3.758 4.373 . 0 0 "[ . 1 . 2 ]" 1
592 1 52 LEU H 1 52 LEU MD1 4.500 . 5.700 3.277 2.874 3.729 . 0 0 "[ . 1 . 2 ]" 1
593 1 58 VAL MG1 1 67 PHE QD 4.500 . 5.700 3.210 2.146 3.871 . 0 0 "[ . 1 . 2 ]" 1
594 1 27 LEU MD2 1 67 PHE QD 4.500 . 5.700 5.260 3.657 5.828 0.128 16 0 "[ . 1 . 2 ]" 1
595 1 58 VAL MG2 1 67 PHE QD 4.500 . 5.700 3.880 1.874 5.015 . 0 0 "[ . 1 . 2 ]" 1
596 1 33 LEU MD1 1 38 PHE QD 4.500 . 5.700 2.513 2.418 2.590 . 0 0 "[ . 1 . 2 ]" 1
597 1 49 TYR QD 1 60 LEU MD2 4.500 . 5.700 5.493 4.988 5.712 0.012 18 0 "[ . 1 . 2 ]" 1
598 1 42 LEU HG 1 49 TYR QD 4.500 . 5.700 5.428 3.834 5.716 0.016 2 0 "[ . 1 . 2 ]" 1
599 1 49 TYR QD 1 52 LEU MD1 4.500 . 5.700 2.364 2.041 2.823 . 0 0 "[ . 1 . 2 ]" 1
600 1 38 PHE QD 1 42 LEU MD1 4.500 . 5.700 2.581 1.965 3.970 . 0 0 "[ . 1 . 2 ]" 1
601 1 24 VAL MG2 1 32 TYR QD 4.500 . 5.700 3.271 2.395 4.846 . 0 0 "[ . 1 . 2 ]" 1
602 1 24 VAL MG1 1 32 TYR QD 4.500 . 5.700 3.441 2.644 4.272 . 0 0 "[ . 1 . 2 ]" 1
603 1 38 PHE QD 1 42 LEU MD2 4.500 . 5.700 4.291 2.264 4.704 . 0 0 "[ . 1 . 2 ]" 1
604 1 10 TYR QD 1 32 TYR QD 4.500 . 5.700 4.441 3.998 4.804 . 0 0 "[ . 1 . 2 ]" 1
605 1 49 TYR QD 1 57 GLN HE21 4.500 . 5.700 3.751 3.108 4.216 . 0 0 "[ . 1 . 2 ]" 1
606 1 38 PHE QE 1 44 MET H 4.500 . 5.700 4.934 4.621 5.332 . 0 0 "[ . 1 . 2 ]" 1
607 1 10 TYR QE 1 32 TYR QD 4.500 . 5.700 5.554 5.335 5.761 0.061 9 0 "[ . 1 . 2 ]" 1
608 1 49 TYR QD 1 57 GLN HE22 4.500 . 5.700 4.466 4.141 4.936 . 0 0 "[ . 1 . 2 ]" 1
609 1 38 PHE QE 1 49 TYR QE 4.500 . 5.700 3.111 2.635 3.605 . 0 0 "[ . 1 . 2 ]" 1
610 1 10 TYR QD 1 32 TYR HA 4.500 . 5.700 5.724 5.471 5.806 0.106 18 0 "[ . 1 . 2 ]" 1
611 1 29 LEU HA 1 32 TYR QE 4.500 . 5.700 2.419 1.861 2.709 . 0 0 "[ . 1 . 2 ]" 1
612 1 38 PHE QE 1 45 THR HA 4.500 . 5.700 4.427 3.775 4.818 . 0 0 "[ . 1 . 2 ]" 1
613 1 10 TYR QD 1 11 PRO HD3 4.500 . 5.700 4.434 3.264 4.914 . 0 0 "[ . 1 . 2 ]" 1
614 1 10 TYR QD 1 11 PRO HD2 4.500 . 5.700 3.647 2.271 4.086 . 0 0 "[ . 1 . 2 ]" 1
615 1 10 TYR QD 1 32 TYR HB3 4.500 . 5.700 4.948 4.213 5.332 . 0 0 "[ . 1 . 2 ]" 1
616 1 24 VAL HA 1 32 TYR QE 4.500 . 5.700 2.979 2.179 3.783 . 0 0 "[ . 1 . 2 ]" 1
617 1 38 PHE QE 1 46 ARG HA 4.500 . 5.700 2.328 2.048 2.754 . 0 0 "[ . 1 . 2 ]" 1
618 1 10 TYR QD 1 32 TYR HB2 4.500 . 5.700 3.934 3.540 4.119 . 0 0 "[ . 1 . 2 ]" 1
619 1 25 ASP HB3 1 32 TYR QE 4.500 . 5.700 5.045 4.142 5.738 0.038 16 0 "[ . 1 . 2 ]" 1
620 1 25 ASP HB2 1 32 TYR QE 4.500 . 5.700 3.947 2.808 4.928 . 0 0 "[ . 1 . 2 ]" 1
621 1 38 PHE QE 1 49 TYR HB2 4.500 . 5.700 3.268 2.679 3.600 . 0 0 "[ . 1 . 2 ]" 1
622 1 38 PHE QE 1 49 TYR HB3 4.500 . 5.700 3.927 3.333 4.452 . 0 0 "[ . 1 . 2 ]" 1
623 1 38 PHE QE 1 46 ARG QD 4.500 . 5.700 3.184 1.890 4.047 . 0 0 "[ . 1 . 2 ]" 1
624 1 38 PHE HZ 1 46 ARG QD 4.500 . 5.700 4.630 2.018 5.705 0.005 2 0 "[ . 1 . 2 ]" 1
625 1 10 TYR QD 1 14 ASP HB3 4.500 . 5.700 5.402 4.438 5.743 0.043 11 0 "[ . 1 . 2 ]" 1
626 1 10 TYR HB2 1 10 TYR QD 2.700 . 3.800 2.704 2.402 2.786 . 0 0 "[ . 1 . 2 ]" 1
627 1 38 PHE QE 1 44 MET HG2 4.500 . 5.700 5.509 5.207 5.728 0.028 7 0 "[ . 1 . 2 ]" 1
628 1 38 PHE QE 1 44 MET HB3 4.500 . 5.700 3.807 3.560 4.068 . 0 0 "[ . 1 . 2 ]" 1
629 1 30 GLU HG3 1 38 PHE QE 4.500 . 5.700 4.343 3.433 5.304 . 0 0 "[ . 1 . 2 ]" 1
630 1 30 GLU HG2 1 38 PHE QE 4.500 . 5.700 4.651 3.912 5.146 . 0 0 "[ . 1 . 2 ]" 1
631 1 38 PHE QE 1 48 GLU HB3 4.500 . 5.700 5.758 5.702 5.790 0.090 22 0 "[ . 1 . 2 ]" 1
632 1 30 GLU HB3 1 38 PHE QE 4.500 . 5.700 3.336 2.462 3.750 . 0 0 "[ . 1 . 2 ]" 1
633 1 10 TYR QE 1 21 PRO HB3 4.500 . 5.700 4.090 3.361 4.562 . 0 0 "[ . 1 . 2 ]" 1
634 1 10 TYR QD 1 21 PRO HB3 4.500 . 5.700 4.715 4.152 5.408 . 0 0 "[ . 1 . 2 ]" 1
635 1 8 THR MG 1 10 TYR QD 4.500 . 5.700 3.543 2.763 4.718 . 0 0 "[ . 1 . 2 ]" 1
636 1 16 LEU QB 1 32 TYR QE 4.500 . 5.700 5.862 5.753 5.954 0.254 6 0 "[ . 1 . 2 ]" 1
637 1 24 VAL HB 1 32 TYR QE 4.500 . 5.700 3.825 1.941 4.874 . 0 0 "[ . 1 . 2 ]" 1
638 1 29 LEU HB3 1 32 TYR QE 4.500 . 5.700 2.746 2.260 3.463 . 0 0 "[ . 1 . 2 ]" 1
639 1 17 ALA H 1 17 ALA MB 2.200 . 3.200 3.000 2.921 3.075 . 0 0 "[ . 1 . 2 ]" 1
640 1 30 GLU HB2 1 38 PHE QE 4.500 . 5.700 2.332 1.971 3.138 . 0 0 "[ . 1 . 2 ]" 1
641 1 8 THR MG 1 10 TYR QE 2.700 . 3.800 2.803 1.831 3.802 0.002 15 0 "[ . 1 . 2 ]" 1
642 1 10 TYR QE 1 21 PRO HG3 4.500 . 5.700 3.230 2.949 4.326 . 0 0 "[ . 1 . 2 ]" 1
643 1 10 TYR QD 1 15 LEU MD1 4.500 . 5.700 5.502 4.874 5.798 0.098 1 0 "[ . 1 . 2 ]" 1
644 1 10 TYR QD 1 21 PRO HG2 4.500 . 5.700 2.049 1.783 2.611 0.017 2 0 "[ . 1 . 2 ]" 1
645 1 10 TYR QD 1 15 LEU MD2 4.500 . 5.700 3.688 3.097 4.010 . 0 0 "[ . 1 . 2 ]" 1
646 1 15 LEU MD1 1 32 TYR QE 4.500 . 5.700 1.766 1.695 1.883 0.105 18 0 "[ . 1 . 2 ]" 1
647 1 29 LEU MD2 1 32 TYR QE 2.700 . 3.800 1.966 1.762 2.286 0.038 16 0 "[ . 1 . 2 ]" 1
648 1 31 ILE MD 1 32 TYR QE 4.500 . 5.700 4.103 2.514 5.793 0.093 17 0 "[ . 1 . 2 ]" 1
649 1 16 LEU MD1 1 17 ALA H 4.500 . 5.700 4.644 3.697 5.270 . 0 0 "[ . 1 . 2 ]" 1
650 1 33 LEU H 1 33 LEU MD2 4.500 . 5.700 3.625 3.336 3.834 . 0 0 "[ . 1 . 2 ]" 1
651 1 33 LEU H 1 33 LEU MD1 4.500 . 5.700 3.218 2.837 3.400 . 0 0 "[ . 1 . 2 ]" 1
652 1 38 PHE QE 1 46 ARG HG3 4.500 . 5.700 2.493 1.977 4.036 . 0 0 "[ . 1 . 2 ]" 1
653 1 33 LEU MD2 1 38 PHE QE 4.500 . 5.700 4.516 4.259 4.673 . 0 0 "[ . 1 . 2 ]" 1
654 1 38 PHE QE 1 42 LEU HG 4.500 . 5.700 4.867 4.197 5.715 0.015 19 0 "[ . 1 . 2 ]" 1
655 1 38 PHE QE 1 42 LEU MD1 4.500 . 5.700 2.261 1.858 4.460 . 0 0 "[ . 1 . 2 ]" 1
656 1 10 TYR QE 1 15 LEU MD2 4.500 . 5.700 5.485 4.991 5.765 0.065 8 0 "[ . 1 . 2 ]" 1
657 1 10 TYR QE 1 21 PRO HG2 4.500 . 5.700 2.310 1.935 3.048 . 0 0 "[ . 1 . 2 ]" 1
658 1 10 TYR QD 1 21 PRO HG3 4.500 . 5.700 2.986 2.434 3.863 . 0 0 "[ . 1 . 2 ]" 1
659 1 10 TYR QD 1 24 VAL MG1 4.500 . 5.700 3.139 1.786 3.921 0.014 14 0 "[ . 1 . 2 ]" 1
660 1 10 TYR QD 1 24 VAL MG2 4.500 . 5.700 2.310 1.794 3.473 0.006 8 0 "[ . 1 . 2 ]" 1
661 1 24 VAL MG2 1 32 TYR QE 4.500 . 5.700 2.937 2.303 3.877 . 0 0 "[ . 1 . 2 ]" 1
662 1 24 VAL MG1 1 32 TYR QE 4.500 . 5.700 2.460 1.846 2.951 . 0 0 "[ . 1 . 2 ]" 1
663 1 24 VAL H 1 24 VAL MG1 2.700 . 3.800 3.097 2.558 3.395 . 0 0 "[ . 1 . 2 ]" 1
664 1 24 VAL H 1 24 VAL MG2 4.500 . 5.700 2.832 1.880 3.507 . 0 0 "[ . 1 . 2 ]" 1
665 1 38 PHE QE 1 42 LEU MD2 4.500 . 5.700 3.822 1.828 4.035 . 0 0 "[ . 1 . 2 ]" 1
666 1 10 TYR QE 1 24 VAL MG1 4.500 . 5.700 4.308 3.134 4.982 . 0 0 "[ . 1 . 2 ]" 1
667 1 10 TYR QE 1 24 VAL MG2 4.500 . 5.700 3.721 3.438 3.942 . 0 0 "[ . 1 . 2 ]" 1
668 1 38 PHE HZ 1 42 LEU MD2 4.500 . 5.700 5.663 3.441 5.865 0.165 5 0 "[ . 1 . 2 ]" 1
669 1 38 PHE QE 1 46 ARG HG2 4.500 . 5.700 3.254 1.877 3.862 . 0 0 "[ . 1 . 2 ]" 1
670 1 66 LEU H 1 66 LEU MD1 4.500 . 5.700 3.433 2.269 4.089 . 0 0 "[ . 1 . 2 ]" 1
671 1 42 LEU MD2 1 44 MET H 4.500 . 5.700 4.687 4.402 5.122 . 0 0 "[ . 1 . 2 ]" 1
672 1 52 LEU MD1 1 57 GLN HE21 4.500 . 5.700 4.861 4.640 5.108 . 0 0 "[ . 1 . 2 ]" 1
673 1 42 LEU MD2 1 61 LYS QG 4.500 . 5.700 1.902 1.730 2.949 0.070 10 0 "[ . 1 . 2 ]" 1
674 1 38 PHE HZ 1 42 LEU MD1 4.500 . 5.700 3.993 3.572 5.784 0.084 7 0 "[ . 1 . 2 ]" 1
675 1 38 PHE QE 1 42 LEU QB 4.500 . 5.700 3.290 2.897 4.678 . 0 0 "[ . 1 . 2 ]" 1
676 1 33 LEU MD2 1 38 PHE HZ 4.500 . 5.700 5.166 4.969 5.389 . 0 0 "[ . 1 . 2 ]" 1
677 1 30 GLU HA 1 38 PHE QE 4.500 . 5.700 3.741 3.260 3.997 . 0 0 "[ . 1 . 2 ]" 1
678 1 38 PHE QD 1 44 MET HB3 4.500 . 5.700 3.479 3.258 3.863 . 0 0 "[ . 1 . 2 ]" 1
679 1 34 THR HG1 1 37 ASP H 4.500 . 5.700 2.531 1.911 3.553 . 0 0 "[ . 1 . 2 ]" 1
680 1 16 LEU QB 1 17 ALA H 4.500 . 5.700 3.398 2.902 3.994 . 0 0 "[ . 1 . 2 ]" 1
681 1 33 LEU HA 1 33 LEU MD2 4.500 . 5.700 3.818 3.729 3.911 . 0 0 "[ . 1 . 2 ]" 1
682 1 16 LEU MD2 1 17 ALA H 4.500 . 5.700 5.055 4.418 5.599 . 0 0 "[ . 1 . 2 ]" 1
683 1 66 LEU H 1 67 PHE QB 4.500 . 5.700 4.655 3.881 5.438 . 0 0 "[ . 1 . 2 ]" 1
684 1 24 VAL MG1 1 25 ASP H 4.500 . 5.700 3.494 3.055 4.099 . 0 0 "[ . 1 . 2 ]" 1
685 1 61 LYS H 1 67 PHE QB 4.500 . 5.700 5.379 4.411 5.945 0.245 19 0 "[ . 1 . 2 ]" 1
686 1 42 LEU MD1 1 60 LEU H 4.500 . 5.700 5.748 5.667 5.875 0.175 17 0 "[ . 1 . 2 ]" 1
687 1 42 LEU MD2 1 60 LEU HB2 4.500 . 5.700 2.713 1.907 5.706 0.006 7 0 "[ . 1 . 2 ]" 1
688 1 49 TYR HB3 1 52 LEU MD1 4.500 . 5.700 4.957 4.778 5.164 . 0 0 "[ . 1 . 2 ]" 1
689 1 58 VAL HA 1 67 PHE QD 4.500 . 5.700 4.379 1.992 5.744 0.044 9 0 "[ . 1 . 2 ]" 1
690 1 32 TYR HB2 1 32 TYR QE 4.500 . 5.700 4.458 4.397 4.507 . 0 0 "[ . 1 . 2 ]" 1
691 1 62 LYS HA 1 67 PHE QB 4.500 . 5.700 3.676 2.697 5.765 0.065 14 0 "[ . 1 . 2 ]" 1
692 1 59 ASN HA 1 62 LYS QB 4.500 . 5.700 3.617 2.898 4.087 . 0 0 "[ . 1 . 2 ]" 1
693 1 36 GLU HA 1 39 GLU QB 4.500 . 5.700 2.540 2.383 2.801 . 0 0 "[ . 1 . 2 ]" 1
694 1 59 ASN HA 1 62 LYS QD 4.500 . 5.700 3.952 2.736 5.697 . 0 0 "[ . 1 . 2 ]" 1
695 1 34 THR HA 1 34 THR MG 2.700 . 3.800 2.683 2.011 3.229 . 0 0 "[ . 1 . 2 ]" 1
696 1 29 LEU MD1 1 66 LEU HA 4.500 . 5.700 2.265 1.782 3.367 0.018 11 0 "[ . 1 . 2 ]" 1
697 1 42 LEU HA 1 64 LYS QD 4.500 . 5.700 4.091 2.663 5.290 . 0 0 "[ . 1 . 2 ]" 1
698 1 52 LEU HA 1 52 LEU MD1 4.500 . 5.700 3.675 3.513 3.817 . 0 0 "[ . 1 . 2 ]" 1
699 1 66 LEU HA 1 66 LEU MD1 4.500 . 5.700 3.907 3.510 4.089 . 0 0 "[ . 1 . 2 ]" 1
700 1 66 LEU HA 1 66 LEU MD2 4.500 . 5.700 2.386 1.852 3.137 . 0 0 "[ . 1 . 2 ]" 1
701 1 55 TRP HA 1 58 VAL MG1 4.500 . 5.700 3.648 2.656 4.049 . 0 0 "[ . 1 . 2 ]" 1
702 1 27 LEU HA 1 27 LEU MD1 4.500 . 5.700 3.571 3.390 4.136 . 0 0 "[ . 1 . 2 ]" 1
703 1 16 LEU HA 1 16 LEU MD2 4.500 . 5.700 3.784 3.530 4.080 . 0 0 "[ . 1 . 2 ]" 1
704 1 16 LEU HA 1 16 LEU MD1 2.700 . 3.800 2.221 1.822 3.518 . 0 0 "[ . 1 . 2 ]" 1
705 1 52 LEU HA 1 52 LEU MD2 4.500 . 5.700 2.590 1.927 3.049 . 0 0 "[ . 1 . 2 ]" 1
706 1 8 THR HA 1 9 ILE MD 4.500 . 5.700 3.990 2.585 5.780 0.080 8 0 "[ . 1 . 2 ]" 1
707 1 20 LEU HA 1 20 LEU MD2 4.500 . 5.700 3.843 3.360 4.128 . 0 0 "[ . 1 . 2 ]" 1
708 1 58 VAL MG2 1 59 ASN HA 4.500 . 5.700 5.317 2.824 5.460 . 0 0 "[ . 1 . 2 ]" 1
709 1 31 ILE HA 1 31 ILE MG 2.700 . 3.800 2.406 2.121 3.141 . 0 0 "[ . 1 . 2 ]" 1
710 1 31 ILE HA 1 31 ILE MD 4.500 . 5.700 3.768 2.799 4.155 . 0 0 "[ . 1 . 2 ]" 1
711 1 29 LEU MD1 1 67 PHE HA 4.500 . 5.700 3.865 1.926 5.792 0.092 20 0 "[ . 1 . 2 ]" 1
712 1 49 TYR HA 1 52 LEU MD1 4.500 . 5.700 2.742 2.482 2.973 . 0 0 "[ . 1 . 2 ]" 1
713 1 49 TYR HA 1 52 LEU MD2 4.500 . 5.700 4.450 4.176 4.719 . 0 0 "[ . 1 . 2 ]" 1
714 1 42 LEU HA 1 42 LEU MD1 4.500 . 5.700 3.652 2.402 3.799 . 0 0 "[ . 1 . 2 ]" 1
715 1 21 PRO HA 1 24 VAL MG2 4.500 . 5.700 5.390 4.404 5.864 0.164 16 0 "[ . 1 . 2 ]" 1
716 1 42 LEU HA 1 42 LEU MD2 4.500 . 5.700 2.818 2.299 3.829 . 0 0 "[ . 1 . 2 ]" 1
717 1 30 GLU HA 1 38 PHE QD 4.500 . 5.700 4.569 4.128 4.822 . 0 0 "[ . 1 . 2 ]" 1
718 1 10 TYR QD 1 24 VAL HA 4.500 . 5.700 3.734 2.841 4.618 . 0 0 "[ . 1 . 2 ]" 1
719 1 10 TYR QD 1 22 GLU HA 4.500 . 5.700 5.936 5.874 5.993 0.293 9 0 "[ . 1 . 2 ]" 1
720 1 38 PHE HB2 1 38 PHE QE 4.500 . 5.700 4.348 4.341 4.360 . 0 0 "[ . 1 . 2 ]" 1
721 1 56 LYS HA 1 59 ASN QB 4.500 . 5.700 2.022 1.821 2.114 . 0 0 "[ . 1 . 2 ]" 1
722 1 54 ALA HA 1 54 ALA MB 2.200 . 3.200 2.107 2.090 2.126 . 0 0 "[ . 1 . 2 ]" 1
723 1 12 LEU MD2 1 41 ALA HA 4.500 . 5.700 4.802 3.694 5.698 . 0 0 "[ . 1 . 2 ]" 1
724 1 12 LEU HA 1 12 LEU MD2 4.500 . 5.700 3.907 3.566 4.100 . 0 0 "[ . 1 . 2 ]" 1
725 1 53 PRO HD2 1 56 LYS QD 4.500 . 5.700 3.770 3.011 4.674 . 0 0 "[ . 1 . 2 ]" 1
726 1 38 PHE HA 1 41 ALA MB 4.500 . 5.700 2.683 1.934 4.097 . 0 0 "[ . 1 . 2 ]" 1
727 1 60 LEU HA 1 60 LEU MD2 4.500 . 5.700 2.990 2.191 3.787 . 0 0 "[ . 1 . 2 ]" 1
728 1 48 GLU HA 1 51 ALA MB 4.500 . 5.700 3.896 3.523 4.412 . 0 0 "[ . 1 . 2 ]" 1
729 1 30 GLU HA 1 66 LEU MD1 4.500 . 5.700 3.979 3.164 5.719 0.019 7 0 "[ . 1 . 2 ]" 1
730 1 30 GLU HA 1 33 LEU MD2 4.500 . 5.700 2.004 1.900 2.224 . 0 0 "[ . 1 . 2 ]" 1
731 1 26 PRO HA 1 29 LEU MD2 2.700 . 3.800 2.289 1.848 3.801 0.001 15 0 "[ . 1 . 2 ]" 1
732 1 30 GLU HA 1 33 LEU MD1 4.500 . 5.700 1.963 1.872 2.105 . 0 0 "[ . 1 . 2 ]" 1
733 1 16 LEU MD1 1 65 GLY HA2 4.500 . 5.700 4.545 3.372 5.727 0.027 7 0 "[ . 1 . 2 ]" 1
734 1 12 LEU MD1 1 13 ALA HA 4.500 . 5.700 2.906 2.235 3.618 . 0 0 "[ . 1 . 2 ]" 1
735 1 13 ALA HA 1 16 LEU MD2 2.700 . 3.800 3.419 1.950 3.824 0.024 12 0 "[ . 1 . 2 ]" 1
736 1 12 LEU HA 1 12 LEU MD1 4.500 . 5.700 3.763 3.324 4.054 . 0 0 "[ . 1 . 2 ]" 1
737 1 12 LEU HA 1 33 LEU MD2 4.500 . 5.700 4.034 3.796 4.375 . 0 0 "[ . 1 . 2 ]" 1
738 1 52 LEU MD2 1 53 PRO HD2 4.500 . 5.700 1.868 1.829 1.924 . 0 0 "[ . 1 . 2 ]" 1
739 1 15 LEU MD1 1 32 TYR HB3 4.500 . 5.700 5.731 5.235 5.930 0.230 5 0 "[ . 1 . 2 ]" 1
740 1 33 LEU MD1 1 38 PHE HA 4.500 . 5.700 1.987 1.785 2.409 0.015 18 0 "[ . 1 . 2 ]" 1
741 1 20 LEU MD2 1 21 PRO HD3 4.500 . 5.700 5.124 4.261 5.551 . 0 0 "[ . 1 . 2 ]" 1
742 1 15 LEU MD2 1 21 PRO HD3 4.500 . 5.700 5.076 4.128 5.769 0.069 19 0 "[ . 1 . 2 ]" 1
743 1 61 LYS HA 1 66 LEU MD1 4.500 . 5.700 2.600 1.815 3.565 . 0 0 "[ . 1 . 2 ]" 1
744 1 42 LEU MD1 1 61 LYS HA 4.500 . 5.700 3.500 2.292 3.988 . 0 0 "[ . 1 . 2 ]" 1
745 1 57 GLN HA 1 60 LEU MD2 4.500 . 5.700 4.088 3.041 5.112 . 0 0 "[ . 1 . 2 ]" 1
746 1 52 LEU MD1 1 57 GLN HA 4.500 . 5.700 4.764 4.125 5.284 . 0 0 "[ . 1 . 2 ]" 1
747 1 33 LEU MD1 1 38 PHE HB2 4.500 . 5.700 3.077 2.668 3.394 . 0 0 "[ . 1 . 2 ]" 1
748 1 33 LEU MD1 1 38 PHE HB3 4.500 . 5.700 3.653 3.478 3.909 . 0 0 "[ . 1 . 2 ]" 1
749 1 30 GLU HA 1 42 LEU MD2 4.500 . 5.700 4.949 2.934 5.463 . 0 0 "[ . 1 . 2 ]" 1
750 1 24 VAL MG2 1 26 PRO HA 4.500 . 5.700 5.351 4.371 5.780 0.080 16 0 "[ . 1 . 2 ]" 1
751 1 24 VAL MG1 1 26 PRO HA 4.500 . 5.700 4.457 3.635 5.851 0.151 20 0 "[ . 1 . 2 ]" 1
752 1 21 PRO HD3 1 24 VAL MG2 4.500 . 5.700 4.328 3.543 4.931 . 0 0 "[ . 1 . 2 ]" 1
753 1 21 PRO HD3 1 24 VAL MG1 4.500 . 5.700 4.697 4.269 5.129 . 0 0 "[ . 1 . 2 ]" 1
754 1 42 LEU MD2 1 61 LYS HA 4.500 . 5.700 2.156 1.795 4.299 0.005 11 0 "[ . 1 . 2 ]" 1
755 1 9 ILE MD 1 34 THR H 4.500 . 5.700 3.123 1.961 3.590 . 0 0 "[ . 1 . 2 ]" 1
756 1 61 LYS HB2 1 67 PHE QB 4.500 . 5.700 3.775 2.378 5.147 . 0 0 "[ . 1 . 2 ]" 1
757 1 53 PRO HD3 1 56 LYS QD 4.500 . 5.700 4.465 3.935 4.909 . 0 0 "[ . 1 . 2 ]" 1
758 1 13 ALA MB 1 14 ASP HB2 4.500 . 5.700 4.108 3.792 4.436 . 0 0 "[ . 1 . 2 ]" 1
759 1 33 LEU MD2 1 37 ASP HB3 4.500 . 5.700 4.170 3.975 4.252 . 0 0 "[ . 1 . 2 ]" 1
760 1 58 VAL HA 1 58 VAL MG1 2.700 . 3.800 2.458 2.286 2.609 . 0 0 "[ . 1 . 2 ]" 1
761 1 58 VAL HA 1 58 VAL MG2 2.700 . 3.800 2.397 2.098 3.205 . 0 0 "[ . 1 . 2 ]" 1
762 1 52 LEU MD2 1 53 PRO HD3 4.500 . 5.700 2.516 1.918 3.305 . 0 0 "[ . 1 . 2 ]" 1
763 1 33 LEU MD1 1 37 ASP HB3 4.500 . 5.700 3.491 3.386 3.725 . 0 0 "[ . 1 . 2 ]" 1
764 1 49 TYR HB2 1 52 LEU MD1 4.500 . 5.700 4.784 4.586 4.992 . 0 0 "[ . 1 . 2 ]" 1
765 1 15 LEU MD1 1 32 TYR HB2 4.500 . 5.700 4.985 4.195 5.403 . 0 0 "[ . 1 . 2 ]" 1
766 1 10 TYR HB3 1 15 LEU MD1 4.500 . 5.700 4.808 3.993 5.275 . 0 0 "[ . 1 . 2 ]" 1
767 1 10 TYR HB3 1 15 LEU MD2 4.500 . 5.700 2.483 1.975 2.837 . 0 0 "[ . 1 . 2 ]" 1
768 1 58 VAL MG2 1 62 LYS HE3 4.500 . 5.700 5.153 4.184 5.728 0.028 11 0 "[ . 1 . 2 ]" 1
769 1 20 LEU MD2 1 21 PRO HD2 4.500 . 5.700 4.088 3.764 4.621 . 0 0 "[ . 1 . 2 ]" 1
770 1 15 LEU MD2 1 21 PRO HD2 4.500 . 5.700 4.100 3.248 4.738 . 0 0 "[ . 1 . 2 ]" 1
771 1 33 LEU MD1 1 37 ASP HB2 4.500 . 5.700 4.933 4.805 5.161 . 0 0 "[ . 1 . 2 ]" 1
772 1 33 LEU MD2 1 37 ASP HB2 4.500 . 5.700 5.024 4.821 5.151 . 0 0 "[ . 1 . 2 ]" 1
773 1 21 PRO HD2 1 24 VAL MG2 4.500 . 5.700 2.979 2.459 3.565 . 0 0 "[ . 1 . 2 ]" 1
774 1 21 PRO HD2 1 24 VAL MG1 4.500 . 5.700 3.258 2.813 3.794 . 0 0 "[ . 1 . 2 ]" 1
775 1 30 GLU HB3 1 38 PHE QD 4.500 . 5.700 4.993 4.193 5.455 . 0 0 "[ . 1 . 2 ]" 1
776 1 66 LEU HB3 1 67 PHE QD 4.500 . 5.700 4.312 3.291 5.592 . 0 0 "[ . 1 . 2 ]" 1
777 1 62 LYS QB 1 62 LYS HE2 4.500 . 5.700 3.492 2.622 4.211 . 0 0 "[ . 1 . 2 ]" 1
778 1 10 TYR HB2 1 15 LEU MD1 4.500 . 5.700 4.184 3.407 4.665 . 0 0 "[ . 1 . 2 ]" 1
779 1 10 TYR HB2 1 15 LEU MD2 4.500 . 5.700 2.376 2.164 2.607 . 0 0 "[ . 1 . 2 ]" 1
780 1 20 LEU MD1 1 26 PRO HB3 4.500 . 5.700 4.578 3.835 5.709 0.009 19 0 "[ . 1 . 2 ]" 1
781 1 27 LEU HB2 1 27 LEU MD2 2.700 . 3.800 2.531 2.127 3.182 . 0 0 "[ . 1 . 2 ]" 1
782 1 21 PRO HB3 1 24 VAL MG1 4.500 . 5.700 5.721 5.451 5.816 0.116 11 0 "[ . 1 . 2 ]" 1
783 1 21 PRO HB3 1 24 VAL MG2 4.500 . 5.700 5.321 5.001 5.749 0.049 7 0 "[ . 1 . 2 ]" 1
784 1 30 GLU HB3 1 42 LEU MD2 4.500 . 5.700 3.555 2.199 4.117 . 0 0 "[ . 1 . 2 ]" 1
785 1 44 MET HA 1 45 THR MG 4.500 . 5.700 3.370 2.997 4.018 . 0 0 "[ . 1 . 2 ]" 1
786 1 44 MET HG3 1 45 THR MG 4.500 . 5.700 3.867 3.140 4.968 . 0 0 "[ . 1 . 2 ]" 1
787 1 44 MET HB2 1 45 THR MG 4.500 . 5.700 5.206 4.896 5.734 0.034 10 0 "[ . 1 . 2 ]" 1
788 1 27 LEU HB3 1 27 LEU MD1 2.700 . 3.800 2.230 2.007 2.550 . 0 0 "[ . 1 . 2 ]" 1
789 1 20 LEU MD1 1 20 LEU HG 2.200 . 3.200 2.098 2.077 2.123 . 0 0 "[ . 1 . 2 ]" 1
790 1 58 VAL MG2 1 62 LYS QD 4.500 . 5.700 4.743 1.908 5.703 0.003 1 0 "[ . 1 . 2 ]" 1
791 1 24 VAL HB 1 29 LEU MD2 4.500 . 5.700 4.816 2.878 5.742 0.042 16 0 "[ . 1 . 2 ]" 1
792 1 42 LEU MD1 1 60 LEU HG 4.500 . 5.700 5.679 5.242 5.785 0.085 22 0 "[ . 1 . 2 ]" 1
793 1 9 ILE MD 1 34 THR MG 4.500 . 5.700 2.843 1.800 5.112 0.000 14 0 "[ . 1 . 2 ]" 1
794 1 41 ALA MB 1 42 LEU HG 4.500 . 5.700 3.380 2.893 4.563 . 0 0 "[ . 1 . 2 ]" 1
795 1 41 ALA MB 1 66 LEU MD1 2.700 . 3.800 2.009 1.787 2.785 0.013 1 0 "[ . 1 . 2 ]" 1
796 1 41 ALA MB 1 42 LEU MD1 2.700 . 3.800 3.027 1.768 3.818 0.032 19 0 "[ . 1 . 2 ]" 1
797 1 66 LEU HB2 1 66 LEU MD1 2.700 . 3.800 2.221 2.007 2.624 . 0 0 "[ . 1 . 2 ]" 1
798 1 41 ALA MB 1 42 LEU MD2 4.500 . 5.700 4.385 3.812 4.690 . 0 0 "[ . 1 . 2 ]" 1
799 1 21 PRO HB2 1 24 VAL MG1 4.500 . 5.700 5.054 4.606 5.448 . 0 0 "[ . 1 . 2 ]" 1
800 1 21 PRO HB2 1 24 VAL MG2 4.500 . 5.700 4.678 4.166 5.214 . 0 0 "[ . 1 . 2 ]" 1
801 1 30 GLU HB2 1 42 LEU MD2 4.500 . 5.700 4.349 3.379 5.393 . 0 0 "[ . 1 . 2 ]" 1
802 1 45 THR MG 1 48 GLU H 4.500 . 5.700 3.721 1.841 4.421 . 0 0 "[ . 1 . 2 ]" 1
803 1 30 GLU H 1 31 ILE MD 4.500 . 5.700 5.446 3.350 5.787 0.087 16 0 "[ . 1 . 2 ]" 1
804 1 38 PHE QD 1 46 ARG HG2 4.500 . 5.700 5.051 3.961 5.622 . 0 0 "[ . 1 . 2 ]" 1
805 1 16 LEU H 1 66 LEU MD2 4.500 . 5.700 4.448 3.938 4.863 . 0 0 "[ . 1 . 2 ]" 1
806 1 15 LEU MD2 1 16 LEU H 4.500 . 5.700 4.025 3.714 4.258 . 0 0 "[ . 1 . 2 ]" 1
807 1 9 ILE HA 1 9 ILE MG 2.700 . 3.800 2.679 2.258 3.212 . 0 0 "[ . 1 . 2 ]" 1
808 1 33 LEU HA 1 33 LEU MD1 4.500 . 5.700 3.859 3.771 3.928 . 0 0 "[ . 1 . 2 ]" 1
809 1 9 ILE MD 1 32 TYR HA 4.500 . 5.700 4.550 2.120 5.822 0.122 22 0 "[ . 1 . 2 ]" 1
810 1 9 ILE HA 1 9 ILE MD 4.500 . 5.700 2.862 1.937 4.115 . 0 0 "[ . 1 . 2 ]" 1
811 1 20 LEU HA 1 20 LEU MD1 4.500 . 5.700 3.673 3.403 4.129 . 0 0 "[ . 1 . 2 ]" 1
812 1 27 LEU HA 1 27 LEU MD2 4.500 . 5.700 3.359 3.230 3.478 . 0 0 "[ . 1 . 2 ]" 1
813 1 12 LEU HA 1 15 LEU MD1 4.500 . 5.700 1.971 1.797 2.154 0.003 1 0 "[ . 1 . 2 ]" 1
814 1 30 GLU HA 1 66 LEU MD2 4.500 . 5.700 5.174 4.387 5.712 0.012 20 0 "[ . 1 . 2 ]" 1
815 1 28 LYS QE 1 31 ILE MD 4.500 . 5.700 3.325 1.939 4.660 . 0 0 "[ . 1 . 2 ]" 1
816 1 58 VAL MG2 1 67 PHE QB 4.500 . 5.700 4.407 2.442 5.737 0.037 19 0 "[ . 1 . 2 ]" 1
817 1 15 LEU MD1 1 33 LEU HB2 4.500 . 5.700 4.644 3.655 5.523 . 0 0 "[ . 1 . 2 ]" 1
818 1 44 MET ME 1 52 LEU MD2 4.500 . 5.700 4.057 2.738 5.537 . 0 0 "[ . 1 . 2 ]" 1
819 1 44 MET ME 1 52 LEU MD1 2.700 . 3.800 2.917 1.806 3.773 . 0 0 "[ . 1 . 2 ]" 1
820 1 64 LYS HB3 1 66 LEU MD1 4.500 . 5.700 3.117 1.948 4.418 . 0 0 "[ . 1 . 2 ]" 1
821 1 33 LEU MD1 1 33 LEU MD2 2.700 . 3.800 1.953 1.898 2.060 . 0 0 "[ . 1 . 2 ]" 1
822 1 15 LEU MD1 1 15 LEU MD2 2.200 . 3.200 2.049 1.980 2.082 . 0 0 "[ . 1 . 2 ]" 1
823 1 24 VAL MG1 1 24 VAL MG2 2.700 . 3.800 2.007 1.874 2.070 . 0 0 "[ . 1 . 2 ]" 1
824 1 42 LEU HG 1 66 LEU MD2 4.500 . 5.700 4.559 3.149 5.620 . 0 0 "[ . 1 . 2 ]" 1
825 1 42 LEU HG 1 66 LEU MD1 4.500 . 5.700 2.316 1.783 3.816 0.017 1 0 "[ . 1 . 2 ]" 1
826 1 42 LEU MD1 1 66 LEU MD1 4.500 . 5.700 2.289 1.791 3.074 0.009 3 0 "[ . 1 . 2 ]" 1
827 1 15 LEU MD2 1 20 LEU MD2 4.500 . 5.700 4.445 3.192 5.741 0.041 13 0 "[ . 1 . 2 ]" 1
828 1 20 LEU MD2 1 24 VAL MG1 4.500 . 5.700 2.521 1.755 4.351 0.045 8 0 "[ . 1 . 2 ]" 1
829 1 42 LEU MD2 1 60 LEU MD2 4.500 . 5.700 3.603 2.627 5.147 . 0 0 "[ . 1 . 2 ]" 1
830 1 24 VAL MG1 1 29 LEU MD2 2.700 . 3.800 3.348 2.861 3.860 0.060 12 0 "[ . 1 . 2 ]" 1
831 1 24 VAL MG2 1 29 LEU MD2 2.700 . 3.800 3.801 3.561 3.869 0.069 10 0 "[ . 1 . 2 ]" 1
832 1 33 LEU MD1 1 42 LEU MD2 4.500 . 5.700 4.452 1.971 4.853 . 0 0 "[ . 1 . 2 ]" 1
833 1 42 LEU MD2 1 66 LEU MD1 4.500 . 5.700 3.072 2.052 3.989 . 0 0 "[ . 1 . 2 ]" 1
834 1 15 LEU MD2 1 24 VAL MG2 4.500 . 5.700 2.836 1.790 4.922 0.010 21 0 "[ . 1 . 2 ]" 1
835 1 42 LEU MD1 1 42 LEU MD2 2.700 . 3.800 1.947 1.845 2.057 . 0 0 "[ . 1 . 2 ]" 1
836 1 8 THR H 1 9 ILE HA 4.500 . 5.200 4.822 4.601 5.114 . 0 0 "[ . 1 . 2 ]" 1
837 1 8 THR H 1 9 ILE H 4.500 . 5.200 4.289 4.036 4.529 . 0 0 "[ . 1 . 2 ]" 1
838 1 9 ILE H 1 9 ILE HG13 4.500 . 5.200 3.883 2.192 4.758 . 0 0 "[ . 1 . 2 ]" 1
839 1 9 ILE H 1 9 ILE HG12 4.500 . 5.200 3.941 2.362 4.876 . 0 0 "[ . 1 . 2 ]" 1
840 1 12 LEU H 1 37 ASP HB3 4.500 . 5.200 5.238 5.070 5.310 0.110 2 0 "[ . 1 . 2 ]" 1
841 1 13 ALA H 1 14 ASP HB2 4.500 . 5.200 4.490 4.288 4.727 . 0 0 "[ . 1 . 2 ]" 1
842 1 11 PRO HG3 1 14 ASP H 4.500 . 5.200 4.658 4.543 4.885 . 0 0 "[ . 1 . 2 ]" 1
843 1 13 ALA H 1 16 LEU H 4.500 . 5.200 4.508 4.313 4.852 . 0 0 "[ . 1 . 2 ]" 1
844 1 18 ARG H 1 18 ARG HD3 4.500 . 5.200 4.872 4.051 5.229 0.029 17 0 "[ . 1 . 2 ]" 1
845 1 18 ARG H 1 18 ARG HD2 4.500 . 5.200 4.801 4.186 5.242 0.042 10 0 "[ . 1 . 2 ]" 1
846 1 21 PRO HG2 1 22 GLU H 4.500 . 5.200 3.688 3.356 4.258 . 0 0 "[ . 1 . 2 ]" 1
847 1 21 PRO HB2 1 24 VAL H 4.500 . 5.200 3.759 2.949 5.256 0.056 7 0 "[ . 1 . 2 ]" 1
848 1 25 ASP H 1 26 PRO HD2 4.500 . 5.200 4.741 4.366 5.062 . 0 0 "[ . 1 . 2 ]" 1
849 1 27 LEU H 1 28 LYS HA 4.500 . 5.200 5.141 4.719 5.279 0.079 19 0 "[ . 1 . 2 ]" 1
850 1 25 ASP HB3 1 27 LEU H 4.500 . 5.200 3.108 2.424 3.647 . 0 0 "[ . 1 . 2 ]" 1
851 1 29 LEU H 1 31 ILE H 4.500 . 5.200 4.009 3.612 4.632 . 0 0 "[ . 1 . 2 ]" 1
852 1 30 GLU HG3 1 31 ILE H 4.500 . 5.200 2.755 1.999 4.319 . 0 0 "[ . 1 . 2 ]" 1
853 1 30 GLU HB2 1 31 ILE H 4.500 . 5.200 3.983 3.587 4.218 . 0 0 "[ . 1 . 2 ]" 1
854 1 30 GLU HA 1 33 LEU H 4.500 . 5.200 4.167 3.681 4.382 . 0 0 "[ . 1 . 2 ]" 1
855 1 9 ILE H 1 34 THR H 4.500 . 5.200 5.321 5.223 5.414 0.214 20 0 "[ . 1 . 2 ]" 1
856 1 11 PRO HG2 1 13 ALA H 4.500 . 5.200 5.230 4.946 5.303 0.103 7 0 "[ . 1 . 2 ]" 1
857 1 21 PRO HD3 1 22 GLU H 4.500 . 5.200 5.255 5.208 5.412 0.212 13 0 "[ . 1 . 2 ]" 1
858 1 28 LYS HA 1 31 ILE H 4.500 . 5.200 4.499 3.970 5.095 . 0 0 "[ . 1 . 2 ]" 1
859 1 31 ILE H 1 33 LEU H 4.500 . 5.200 4.505 4.235 4.722 . 0 0 "[ . 1 . 2 ]" 1
860 1 32 TYR HB2 1 33 LEU H 4.500 . 5.200 4.441 4.366 4.492 . 0 0 "[ . 1 . 2 ]" 1
861 1 37 ASP H 1 38 PHE HA 4.500 . 5.200 5.115 5.051 5.143 . 0 0 "[ . 1 . 2 ]" 1
862 1 37 ASP H 1 38 PHE HB2 4.500 . 5.200 4.212 4.069 4.272 . 0 0 "[ . 1 . 2 ]" 1
863 1 39 GLU H 1 44 MET H 4.500 . 5.200 4.773 4.387 5.128 . 0 0 "[ . 1 . 2 ]" 1
864 1 35 ASP HA 1 46 ARG H 4.500 . 5.200 3.391 2.912 4.088 . 0 0 "[ . 1 . 2 ]" 1
865 1 46 ARG H 1 48 GLU H 4.500 . 5.200 3.919 3.717 4.080 . 0 0 "[ . 1 . 2 ]" 1
866 1 45 THR HB 1 48 GLU H 4.500 . 5.200 3.701 2.863 4.556 . 0 0 "[ . 1 . 2 ]" 1
867 1 45 THR HA 1 48 GLU H 4.500 . 5.200 4.277 4.177 4.480 . 0 0 "[ . 1 . 2 ]" 1
868 1 46 ARG HA 1 48 GLU H 4.500 . 5.200 3.882 3.821 3.941 . 0 0 "[ . 1 . 2 ]" 1
869 1 50 ASN H 1 57 GLN HE21 4.500 . 5.200 5.221 5.123 5.248 0.048 20 0 "[ . 1 . 2 ]" 1
870 1 50 ASN H 1 57 GLN HE22 4.500 . 5.200 4.865 4.630 5.026 . 0 0 "[ . 1 . 2 ]" 1
871 1 48 GLU HB2 1 50 ASN H 4.500 . 5.200 5.185 4.988 5.272 0.072 3 0 "[ . 1 . 2 ]" 1
872 1 51 ALA H 1 52 LEU HB2 4.500 . 5.200 3.822 3.683 3.962 . 0 0 "[ . 1 . 2 ]" 1
873 1 49 TYR H 1 51 ALA H 4.500 . 5.200 4.233 4.141 4.347 . 0 0 "[ . 1 . 2 ]" 1
874 1 49 TYR HA 1 52 LEU H 4.500 . 5.200 2.937 2.843 3.011 . 0 0 "[ . 1 . 2 ]" 1
875 1 52 LEU H 1 53 PRO HD2 4.500 . 5.200 4.898 4.565 5.095 . 0 0 "[ . 1 . 2 ]" 1
876 1 52 LEU H 1 53 PRO HD3 4.500 . 5.200 4.982 4.806 5.297 0.097 14 0 "[ . 1 . 2 ]" 1
877 1 54 ALA H 1 56 LYS H 4.500 . 5.200 4.077 3.841 4.338 . 0 0 "[ . 1 . 2 ]" 1
878 1 54 ALA H 1 55 TRP HD1 4.500 . 5.200 4.940 4.752 5.200 . 0 0 "[ . 1 . 2 ]" 1
879 1 55 TRP H 1 57 GLN HG2 4.500 . 5.200 3.743 3.688 3.821 . 0 0 "[ . 1 . 2 ]" 1
880 1 55 TRP H 1 56 LYS HB2 4.500 . 5.200 4.102 4.041 4.202 . 0 0 "[ . 1 . 2 ]" 1
881 1 53 PRO HG3 1 56 LYS H 4.500 . 5.200 4.777 4.279 5.007 . 0 0 "[ . 1 . 2 ]" 1
882 1 57 GLN H 1 60 LEU H 4.500 . 5.200 5.125 4.889 5.241 0.041 7 0 "[ . 1 . 2 ]" 1
883 1 55 TRP H 1 57 GLN H 4.500 . 5.200 3.683 3.614 3.773 . 0 0 "[ . 1 . 2 ]" 1
884 1 56 LYS HG3 1 57 GLN H 4.500 . 5.200 4.856 4.646 4.942 . 0 0 "[ . 1 . 2 ]" 1
885 1 56 LYS HG2 1 57 GLN H 4.500 . 5.200 4.839 4.639 5.107 . 0 0 "[ . 1 . 2 ]" 1
886 1 58 VAL H 1 61 LYS HB2 4.500 . 5.200 4.835 4.295 5.330 0.130 8 0 "[ . 1 . 2 ]" 1
887 1 55 TRP HZ3 1 59 ASN H 4.500 . 5.200 3.904 3.756 4.005 . 0 0 "[ . 1 . 2 ]" 1
888 1 55 TRP HH2 1 59 ASN H 4.500 . 5.200 5.424 5.382 5.471 0.271 19 0 "[ . 1 . 2 ]" 1
889 1 62 LYS H 1 66 LEU HB2 4.500 . 5.200 5.100 4.494 5.331 0.131 16 0 "[ . 1 . 2 ]" 1
890 1 61 LYS HA 1 63 ALA H 4.500 . 5.200 4.295 4.020 4.596 . 0 0 "[ . 1 . 2 ]" 1
891 1 64 LYS H 1 65 GLY HA2 4.500 . 5.200 4.576 4.242 4.726 . 0 0 "[ . 1 . 2 ]" 1
892 1 30 GLU H 1 67 PHE H 4.500 . 5.200 5.280 4.794 5.458 0.258 19 0 "[ . 1 . 2 ]" 1
893 1 10 TYR H 1 11 PRO HD2 4.500 . 5.200 4.724 4.683 4.765 . 0 0 "[ . 1 . 2 ]" 1
894 1 10 TYR H 1 11 PRO HD3 4.500 . 5.200 5.163 5.000 5.276 0.076 6 0 "[ . 1 . 2 ]" 1
895 1 18 ARG HG2 1 20 LEU H 4.500 . 5.200 5.288 5.231 5.348 0.148 9 0 "[ . 1 . 2 ]" 1
896 1 48 GLU H 1 49 TYR HB3 4.500 . 5.200 5.434 5.402 5.489 0.289 19 0 "[ . 1 . 2 ]" 1
897 1 48 GLU H 1 49 TYR HB2 4.500 . 5.200 3.970 3.931 4.033 . 0 0 "[ . 1 . 2 ]" 1
898 1 48 GLU HA 1 50 ASN H 4.500 . 5.200 4.120 3.970 4.324 . 0 0 "[ . 1 . 2 ]" 1
899 1 48 GLU HA 1 52 LEU H 4.500 . 5.200 4.435 4.117 4.827 . 0 0 "[ . 1 . 2 ]" 1
900 1 53 PRO HA 1 57 GLN H 4.500 . 5.200 5.093 4.831 5.208 0.008 6 0 "[ . 1 . 2 ]" 1
901 1 33 LEU HB3 1 37 ASP H 4.500 . 5.200 5.327 5.292 5.349 0.149 9 0 "[ . 1 . 2 ]" 1
902 1 34 THR H 1 38 PHE H 4.500 . 5.200 4.306 4.142 4.466 . 0 0 "[ . 1 . 2 ]" 1
903 1 38 PHE HA 1 40 PHE H 4.500 . 5.200 4.499 4.142 4.765 . 0 0 "[ . 1 . 2 ]" 1
904 1 36 GLU HA 1 40 PHE H 4.500 . 5.200 4.205 3.854 4.506 . 0 0 "[ . 1 . 2 ]" 1
905 1 41 ALA H 1 42 LEU HA 4.500 . 5.200 4.959 4.851 5.104 . 0 0 "[ . 1 . 2 ]" 1
906 1 38 PHE HA 1 42 LEU H 4.500 . 5.200 3.085 2.780 3.496 . 0 0 "[ . 1 . 2 ]" 1
907 1 46 ARG HB3 1 46 ARG HE 4.500 . 5.200 4.196 2.826 4.982 . 0 0 "[ . 1 . 2 ]" 1
908 1 38 PHE HZ 1 46 ARG HE 4.500 . 5.200 4.884 3.449 5.224 0.024 11 0 "[ . 1 . 2 ]" 1
909 1 12 LEU HB2 1 15 LEU H 4.500 . 5.200 5.241 5.152 5.331 0.131 6 0 "[ . 1 . 2 ]" 1
910 1 18 ARG H 1 19 PRO HD3 4.500 . 5.200 4.839 4.541 5.163 . 0 0 "[ . 1 . 2 ]" 1
911 1 33 LEU HB2 1 37 ASP H 4.500 . 5.200 4.158 4.074 4.236 . 0 0 "[ . 1 . 2 ]" 1
912 1 36 GLU H 1 38 PHE H 4.500 . 5.200 3.577 3.382 3.680 . 0 0 "[ . 1 . 2 ]" 1
913 1 9 ILE H 1 9 ILE MD 4.500 . 5.700 2.884 1.892 4.213 . 0 0 "[ . 1 . 2 ]" 1
914 1 9 ILE H 1 9 ILE MG 4.500 . 5.700 3.158 1.915 3.793 . 0 0 "[ . 1 . 2 ]" 1
915 1 20 LEU H 1 24 VAL MG1 4.500 . 5.700 4.973 4.318 5.755 0.055 19 0 "[ . 1 . 2 ]" 1
916 1 19 PRO QG 1 20 LEU H 4.500 . 5.700 4.782 4.544 4.885 . 0 0 "[ . 1 . 2 ]" 1
917 1 23 GLY H 1 24 VAL MG1 4.500 . 5.700 5.053 4.249 5.530 . 0 0 "[ . 1 . 2 ]" 1
918 1 10 TYR QE 1 24 VAL H 4.500 . 5.700 2.439 1.991 4.066 . 0 0 "[ . 1 . 2 ]" 1
919 1 25 ASP H 1 32 TYR QD 4.500 . 5.700 2.201 1.823 2.760 . 0 0 "[ . 1 . 2 ]" 1
920 1 30 GLU H 1 42 LEU MD2 4.500 . 5.700 5.097 3.753 5.623 . 0 0 "[ . 1 . 2 ]" 1
921 1 30 GLU H 1 49 TYR QD 4.500 . 5.700 5.757 5.707 5.904 0.204 19 0 "[ . 1 . 2 ]" 1
922 1 32 TYR H 1 32 TYR QD 4.500 . 5.700 2.930 2.512 3.194 . 0 0 "[ . 1 . 2 ]" 1
923 1 33 LEU H 1 38 PHE QD 4.500 . 5.700 4.602 4.267 4.824 . 0 0 "[ . 1 . 2 ]" 1
924 1 17 ALA H 1 66 LEU MD2 4.500 . 5.700 5.644 4.919 5.762 0.062 10 0 "[ . 1 . 2 ]" 1
925 1 9 ILE MG 1 12 LEU H 4.500 . 5.700 4.488 3.798 5.862 0.162 19 0 "[ . 1 . 2 ]" 1
926 1 25 ASP H 1 27 LEU MD2 4.500 . 5.700 4.982 3.886 5.843 0.143 8 0 "[ . 1 . 2 ]" 1
927 1 35 ASP H 1 38 PHE QE 4.500 . 5.700 5.752 5.533 5.798 0.098 17 0 "[ . 1 . 2 ]" 1
928 1 36 GLU QG 1 37 ASP H 4.500 . 5.700 3.898 3.755 4.137 . 0 0 "[ . 1 . 2 ]" 1
929 1 48 GLU H 1 49 TYR QD 4.500 . 5.700 5.000 4.521 5.353 . 0 0 "[ . 1 . 2 ]" 1
930 1 38 PHE QE 1 48 GLU H 4.500 . 5.700 5.477 5.361 5.584 . 0 0 "[ . 1 . 2 ]" 1
931 1 49 TYR H 1 52 LEU MD1 4.500 . 5.700 3.772 3.466 4.319 . 0 0 "[ . 1 . 2 ]" 1
932 1 49 TYR H 1 50 ASN QB 4.500 . 5.700 4.204 4.077 4.278 . 0 0 "[ . 1 . 2 ]" 1
933 1 49 TYR QE 1 57 GLN H 4.500 . 5.700 5.039 4.335 5.529 . 0 0 "[ . 1 . 2 ]" 1
934 1 49 TYR QE 1 60 LEU H 4.500 . 5.700 4.755 4.435 5.003 . 0 0 "[ . 1 . 2 ]" 1
935 1 58 VAL MG1 1 62 LYS H 4.500 . 5.700 3.223 2.810 5.182 . 0 0 "[ . 1 . 2 ]" 1
936 1 60 LEU MD1 1 63 ALA H 4.500 . 5.700 4.676 4.342 5.036 . 0 0 "[ . 1 . 2 ]" 1
937 1 62 LYS QB 1 65 GLY H 4.500 . 5.700 4.572 4.249 4.958 . 0 0 "[ . 1 . 2 ]" 1
938 1 16 LEU MD2 1 66 LEU H 4.500 . 5.700 5.535 4.761 5.746 0.046 12 0 "[ . 1 . 2 ]" 1
939 1 42 LEU MD2 1 67 PHE H 4.500 . 5.700 4.513 4.204 4.830 . 0 0 "[ . 1 . 2 ]" 1
940 1 42 LEU MD1 1 67 PHE H 4.500 . 5.700 4.783 4.056 5.250 . 0 0 "[ . 1 . 2 ]" 1
941 1 15 LEU MD2 1 17 ALA H 4.500 . 5.700 5.782 5.717 5.898 0.198 10 0 "[ . 1 . 2 ]" 1
942 1 54 ALA MB 1 57 GLN H 4.500 . 5.700 4.880 4.809 4.926 . 0 0 "[ . 1 . 2 ]" 1
943 1 57 GLN HB3 1 59 ASN H 4.500 . 5.700 5.700 5.648 5.747 0.047 14 0 "[ . 1 . 2 ]" 1
944 1 38 PHE QD 1 42 LEU H 4.500 . 5.700 3.623 3.177 4.249 . 0 0 "[ . 1 . 2 ]" 1
945 1 42 LEU MD2 1 43 ASP H 4.500 . 5.700 5.076 4.822 5.488 . 0 0 "[ . 1 . 2 ]" 1
946 1 38 PHE QE 1 46 ARG HE 4.500 . 5.700 3.592 2.444 4.553 . 0 0 "[ . 1 . 2 ]" 1
947 1 30 GLU HG3 1 31 ILE MG 4.500 . 5.700 2.968 2.008 5.503 . 0 0 "[ . 1 . 2 ]" 1
948 1 30 GLU HG2 1 31 ILE MG 4.500 . 5.700 3.525 2.318 5.708 0.008 10 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 35
_Distance_constraint_stats_list.Viol_count 218
_Distance_constraint_stats_list.Viol_total 718.534
_Distance_constraint_stats_list.Viol_max 1.654
_Distance_constraint_stats_list.Viol_rms 0.1877
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0424
_Distance_constraint_stats_list.Viol_average_violations_only 0.1498
_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 13 ALA 0.327 0.045 6 0 "[ . 1 . 2 ]"
1 16 LEU 0.327 0.045 6 0 "[ . 1 . 2 ]"
1 30 GLU 25.734 1.654 10 13 "[** - * *+*** ** * * ]"
1 34 THR 0.351 0.075 13 0 "[ . 1 . 2 ]"
1 35 ASP 0.346 0.047 1 0 "[ . 1 . 2 ]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 PHE 0.355 0.075 13 0 "[ . 1 . 2 ]"
1 39 GLU 0.923 0.047 1 0 "[ . 1 . 2 ]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 LEU 0.003 0.003 11 0 "[ . 1 . 2 ]"
1 43 ASP 0.576 0.045 3 0 "[ . 1 . 2 ]"
1 46 ARG 0.630 0.045 10 0 "[ . 1 . 2 ]"
1 48 GLU 0.007 0.007 17 0 "[ . 1 . 2 ]"
1 50 ASN 0.630 0.045 10 0 "[ . 1 . 2 ]"
1 51 ALA 0.007 0.007 17 0 "[ . 1 . 2 ]"
1 53 PRO 0.187 0.029 15 0 "[ . 1 . 2 ]"
1 54 ALA 2.050 0.133 7 0 "[ . 1 . 2 ]"
1 55 TRP 1.431 0.090 7 0 "[ . 1 . 2 ]"
1 56 LYS 0.105 0.034 14 0 "[ . 1 . 2 ]"
1 57 GLN 0.328 0.043 17 0 "[ . 1 . 2 ]"
1 58 VAL 2.058 0.133 7 0 "[ . 1 . 2 ]"
1 59 ASN 2.070 0.090 7 0 "[ . 1 . 2 ]"
1 60 LEU 0.105 0.034 14 0 "[ . 1 . 2 ]"
1 61 LYS 26.000 1.654 10 13 "[** - * *+*** ** * * ]"
1 62 LYS 0.009 0.009 7 0 "[ . 1 . 2 ]"
1 63 ALA 0.639 0.074 21 0 "[ . 1 . 2 ]"
1 64 LYS 0.095 0.024 4 0 "[ . 1 . 2 ]"
1 66 LEU 0.030 0.022 17 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 ALA O 1 16 LEU H 2.300 . 2.500 2.418 2.033 2.545 0.045 6 0 "[ . 1 . 2 ]" 2
2 1 34 THR O 1 38 PHE N 3.300 2.500 3.500 2.497 2.425 2.542 0.075 13 0 "[ . 1 . 2 ]" 2
3 1 34 THR O 1 38 PHE H 2.300 . 2.500 1.680 1.506 1.818 . 0 0 "[ . 1 . 2 ]" 2
4 1 35 ASP O 1 39 GLU N 3.300 2.500 3.500 2.484 2.453 2.500 0.047 1 0 "[ . 1 . 2 ]" 2
5 1 35 ASP O 1 39 GLU H 2.300 . 2.500 1.593 1.556 1.639 . 0 0 "[ . 1 . 2 ]" 2
6 1 37 ASP O 1 41 ALA N 3.300 2.500 3.500 2.724 2.553 3.332 . 0 0 "[ . 1 . 2 ]" 2
7 1 37 ASP O 1 41 ALA H 2.300 . 2.500 2.041 1.743 2.369 . 0 0 "[ . 1 . 2 ]" 2
8 1 38 PHE O 1 42 LEU N 3.300 2.500 3.500 2.629 2.497 2.962 0.003 11 0 "[ . 1 . 2 ]" 2
9 1 38 PHE O 1 42 LEU H 2.300 . 2.500 1.790 1.575 2.038 . 0 0 "[ . 1 . 2 ]" 2
10 1 39 GLU O 1 43 ASP N 3.300 2.500 3.500 3.071 3.010 3.133 . 0 0 "[ . 1 . 2 ]" 2
11 1 39 GLU O 1 43 ASP H 2.300 . 2.500 2.526 2.516 2.545 0.045 3 0 "[ . 1 . 2 ]" 2
12 1 46 ARG O 1 50 ASN N 3.300 2.500 3.500 3.218 3.162 3.264 . 0 0 "[ . 1 . 2 ]" 2
13 1 46 ARG O 1 50 ASN H 2.300 . 2.500 2.527 2.467 2.545 0.045 10 0 "[ . 1 . 2 ]" 2
14 1 48 GLU O 1 51 ALA N 3.300 2.500 3.500 3.081 2.857 3.446 . 0 0 "[ . 1 . 2 ]" 2
15 1 48 GLU O 1 51 ALA H 2.300 . 2.500 2.161 1.904 2.507 0.007 17 0 "[ . 1 . 2 ]" 2
16 1 53 PRO O 1 57 GLN N 3.300 2.500 3.500 3.235 2.936 3.415 . 0 0 "[ . 1 . 2 ]" 2
17 1 53 PRO O 1 57 GLN H 2.300 . 2.500 2.347 1.966 2.529 0.029 15 0 "[ . 1 . 2 ]" 2
18 1 54 ALA O 1 58 VAL N 3.300 2.500 3.500 3.411 3.312 3.481 . 0 0 "[ . 1 . 2 ]" 2
19 1 54 ALA O 1 58 VAL H 2.300 . 2.500 2.593 2.549 2.633 0.133 7 0 "[ . 1 . 2 ]" 2
20 1 55 TRP O 1 59 ASN N 3.300 2.500 3.500 2.435 2.410 2.475 0.090 7 0 "[ . 1 . 2 ]" 2
21 1 55 TRP O 1 59 ASN H 2.300 . 2.500 1.537 1.507 1.564 . 0 0 "[ . 1 . 2 ]" 2
22 1 56 LYS O 1 60 LEU N 3.300 2.500 3.500 3.309 3.131 3.399 . 0 0 "[ . 1 . 2 ]" 2
23 1 56 LYS O 1 60 LEU H 2.300 . 2.500 2.430 2.211 2.534 0.034 14 0 "[ . 1 . 2 ]" 2
24 1 57 GLN O 1 61 LYS N 3.300 2.500 3.500 3.276 3.006 3.498 . 0 0 "[ . 1 . 2 ]" 2
25 1 57 GLN O 1 61 LYS H 2.300 . 2.500 2.399 2.076 2.543 0.043 17 0 "[ . 1 . 2 ]" 2
26 1 58 VAL O 1 62 LYS N 3.300 2.500 3.500 2.870 2.491 3.078 0.009 7 0 "[ . 1 . 2 ]" 2
27 1 58 VAL O 1 62 LYS H 2.300 . 2.500 1.932 1.604 2.149 . 0 0 "[ . 1 . 2 ]" 2
28 1 59 ASN O 1 63 ALA N 3.300 2.500 3.500 3.352 3.047 3.503 0.003 21 0 "[ . 1 . 2 ]" 2
29 1 59 ASN O 1 63 ALA H 2.300 . 2.500 2.517 2.237 2.574 0.074 21 0 "[ . 1 . 2 ]" 2
30 1 61 LYS O 1 64 LYS N 3.300 2.500 3.500 3.052 2.551 3.374 . 0 0 "[ . 1 . 2 ]" 2
31 1 61 LYS O 1 64 LYS H 2.300 . 2.500 2.298 1.686 2.524 0.024 4 0 "[ . 1 . 2 ]" 2
32 1 61 LYS O 1 66 LEU N 3.300 2.500 3.500 2.904 2.524 3.467 . 0 0 "[ . 1 . 2 ]" 2
33 1 61 LYS O 1 66 LEU H 2.300 . 2.500 2.138 1.611 2.522 0.022 17 0 "[ . 1 . 2 ]" 2
34 1 30 GLU OE1 1 61 LYS NZ 3.300 2.500 3.500 3.824 2.594 5.031 1.531 10 11 "[* . * *+*** ** * - ]" 2
35 1 30 GLU OE1 1 61 LYS QZ 2.300 . 2.500 2.945 1.794 4.154 1.654 10 13 "[** - * *+*** ** * * ]" 2
stop_
save_
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