NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
468708 |
1a6x   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1a6x
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 432
_Distance_constraint_stats_list.Viol_count 1316
_Distance_constraint_stats_list.Viol_total 3569.730
_Distance_constraint_stats_list.Viol_max 1.611
_Distance_constraint_stats_list.Viol_rms 0.0548
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0554
_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 GLU 0.001 0.001 20 0 "[ . 1 . 2 . 3 . 4 . ]"
1 9 ILE 0.001 0.001 20 0 "[ . 1 . 2 . 3 . 4 . ]"
1 11 GLY 0.062 0.009 1 0 "[ . 1 . 2 . 3 . 4 . ]"
1 12 HIS 0.286 0.025 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 13 ILE 0.043 0.005 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 14 VAL 0.106 0.012 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 15 ARG 0.156 0.012 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 16 SER 0.276 0.046 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 18 MET 0.287 0.046 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 19 VAL 0.008 0.005 25 0 "[ . 1 . 2 . 3 . 4 . ]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 21 THR 0.004 0.003 27 0 "[ . 1 . 2 . 3 . 4 . ]"
1 22 PHE 1.803 0.083 49 0 "[ . 1 . 2 . 3 . 4 . ]"
1 23 TYR 1.428 0.038 32 0 "[ . 1 . 2 . 3 . 4 . ]"
1 24 ARG 0.503 0.083 49 0 "[ . 1 . 2 . 3 . 4 . ]"
1 25 THR 0.002 0.002 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 26 PRO 0.020 0.007 26 0 "[ . 1 . 2 . 3 . 4 . ]"
1 27 SER 0.002 0.002 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 29 ASP 0.001 0.000 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 30 ALA 0.001 0.000 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 31 LYS 0.238 0.070 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 32 ALA 0.238 0.070 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 33 PHE 0.106 0.009 29 0 "[ . 1 . 2 . 3 . 4 . ]"
1 34 ILE 7.480 0.901 38 5 "[ . 1 . 2 . 3 . + - * .** ]"
1 35 GLU 0.178 0.010 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 36 VAL 46.732 1.422 29 48 "[***-*********************** +********************]"
1 37 GLY 0.227 0.019 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 38 GLN 7.735 0.901 38 5 "[ . 1 . 2 . 3 . + - * .** ]"
1 39 LYS 0.073 0.005 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 40 VAL 0.001 0.001 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 41 ASN 0.001 0.001 36 0 "[ . 1 . 2 . 3 . 4 . ]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 43 GLY 11.964 1.611 44 9 "[ . 1** ** 2 - **3 * 4 +. ]"
1 44 ASP 0.148 0.015 40 0 "[ . 1 . 2 . 3 . 4 . ]"
1 45 THR 0.162 0.015 40 0 "[ . 1 . 2 . 3 . 4 . ]"
1 46 LEU 0.062 0.013 40 0 "[ . 1 . 2 . 3 . 4 . ]"
1 47 CYS 0.279 0.016 1 0 "[ . 1 . 2 . 3 . 4 . ]"
1 48 ILE 2.100 0.038 32 0 "[ . 1 . 2 . 3 . 4 . ]"
1 49 VAL 0.006 0.004 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 50 GLU 0.081 0.005 43 0 "[ . 1 . 2 . 3 . 4 . ]"
1 51 ALA 0.343 0.023 33 0 "[ . 1 . 2 . 3 . 4 . ]"
1 52 MET 0.080 0.011 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 53 LYS 0.231 0.023 33 0 "[ . 1 . 2 . 3 . 4 . ]"
1 54 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 55 MET 0.018 0.003 19 0 "[ . 1 . 2 . 3 . 4 . ]"
1 56 ASN 0.021 0.005 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 57 GLN 0.063 0.013 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 58 ILE 0.130 0.016 1 0 "[ . 1 . 2 . 3 . 4 . ]"
1 59 GLU 12.026 1.611 44 9 "[ . 1** ** 2 - **3 * 4 +. ]"
1 60 ALA 0.014 0.006 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 64 GLY 0.283 0.021 29 0 "[ . 1 . 2 . 3 . 4 . ]"
1 65 THR 0.316 0.021 29 0 "[ . 1 . 2 . 3 . 4 . ]"
1 66 VAL 0.235 0.019 5 0 "[ . 1 . 2 . 3 . 4 . ]"
1 67 LYS 0.064 0.010 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 68 ALA 0.002 0.002 25 0 "[ . 1 . 2 . 3 . 4 . ]"
1 69 ILE 46.727 1.422 29 48 "[***-*********************** +********************]"
1 70 LEU 0.078 0.010 11 0 "[ . 1 . 2 . 3 . 4 . ]"
1 71 VAL 0.512 0.037 1 0 "[ . 1 . 2 . 3 . 4 . ]"
1 72 GLU 0.018 0.007 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 73 SER 0.035 0.003 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 74 GLY 0.174 0.013 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 75 GLN 0.058 0.013 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 77 VAL 0.147 0.017 28 0 "[ . 1 . 2 . 3 . 4 . ]"
1 78 GLU 0.130 0.017 28 0 "[ . 1 . 2 . 3 . 4 . ]"
1 79 PHE 0.097 0.037 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 80 ASP 0.175 0.037 45 0 "[ . 1 . 2 . 3 . 4 . ]"
1 81 GLU 0.019 0.008 37 0 "[ . 1 . 2 . 3 . 4 . ]"
1 82 PRO 0.015 0.005 25 0 "[ . 1 . 2 . 3 . 4 . ]"
1 83 LEU 0.126 0.007 12 0 "[ . 1 . 2 . 3 . 4 . ]"
1 84 VAL 0.094 0.005 23 0 "[ . 1 . 2 . 3 . 4 . ]"
1 85 VAL 0.131 0.012 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 86 ILE 0.405 0.025 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 87 GLU 0.136 0.009 14 0 "[ . 1 . 2 . 3 . 4 . ]"
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 8 GLU H 1 9 ILE H . . 5.000 3.812 2.174 4.589 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
2 1 11 GLY H 1 12 HIS H . . 5.000 3.928 2.759 4.674 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
3 1 13 ILE H 1 14 VAL H . . 5.000 4.336 4.036 4.580 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
4 1 20 GLY H 1 21 THR H . . 5.000 4.054 3.895 4.241 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
5 1 24 ARG H 1 25 THR H . . 3.300 2.068 1.873 2.248 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
6 1 29 ASP H 1 30 ALA H . . 3.300 2.891 2.441 3.300 0.000 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
7 1 33 PHE H 1 34 ILE H . . 3.300 2.800 2.627 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
8 1 37 GLY H 1 38 GLN H . . 2.700 2.004 1.905 2.251 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
9 1 38 GLN H 1 39 LYS H . . 5.000 4.486 4.379 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
10 1 39 LYS H 1 40 VAL H . . 5.000 4.494 4.270 4.562 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
11 1 43 GLY H 1 44 ASP H . . 2.700 2.150 1.896 2.660 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
12 1 46 LEU H 1 47 CYS H . . 2.700 1.888 1.866 1.928 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
13 1 49 VAL H 1 50 GLU H . . 5.000 4.221 4.075 4.357 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
14 1 51 ALA H 1 56 ASN QD . . 4.100 2.558 1.823 3.284 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
15 1 52 MET H 1 53 LYS H . . 5.000 3.201 2.757 4.241 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
16 1 53 LYS H 1 54 MET H . . 3.300 2.870 2.479 3.113 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
17 1 55 MET H 1 56 ASN H . . 5.000 4.573 4.279 4.648 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
18 1 57 GLN H 1 58 ILE H . . 5.000 4.610 4.455 4.665 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
19 1 58 ILE H 1 59 GLU H . . 5.000 4.275 4.147 4.383 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
20 1 61 ASP H 1 62 LYS H . . 2.700 2.237 1.883 2.411 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
21 1 64 GLY H 1 65 THR H . . 5.000 4.358 4.343 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
22 1 67 LYS H 1 68 ALA H . . 2.700 1.940 1.858 2.069 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
23 1 70 LEU H 1 71 VAL H . . 2.700 2.203 2.021 2.439 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
24 1 74 GLY H 1 75 GLN H . . 2.700 2.302 1.900 2.701 0.001 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
25 1 77 VAL H 1 78 GLU H . . 5.000 4.416 4.352 4.553 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
26 1 78 GLU H 1 79 PHE H . . 5.000 4.436 4.271 4.480 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
27 1 80 ASP H 1 81 GLU H . . 2.700 2.556 2.365 2.708 0.008 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
28 1 83 LEU H 1 84 VAL H . . 2.700 2.662 2.482 2.705 0.005 23 0 "[ . 1 . 2 . 3 . 4 . ]" 1
29 1 84 VAL H 1 85 VAL H . . 5.000 4.442 4.367 4.512 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
30 1 85 VAL H 1 86 ILE H . . 5.000 4.431 4.338 4.516 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
31 1 86 ILE H 1 87 GLU H . . 5.000 4.515 4.470 4.547 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
32 1 12 HIS H 1 86 ILE H . . 3.300 2.981 2.300 3.234 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
33 1 14 VAL H 1 84 VAL H . . 3.300 3.129 2.916 3.301 0.001 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
34 1 16 SER H 1 83 LEU H . . 5.000 4.223 3.637 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
35 1 16 SER H 1 81 GLU H . . 5.000 4.030 3.499 4.583 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
36 1 20 GLY H 1 77 VAL H . . 3.300 2.797 2.363 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
37 1 21 THR H 1 50 GLU H . . 3.300 2.522 2.106 2.866 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
38 1 22 PHE H 1 75 GLN H . . 5.000 4.214 3.479 4.933 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
39 1 22 PHE H 1 77 VAL H . . 5.000 4.683 3.565 5.004 0.004 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
40 1 23 TYR H 1 50 GLU H . . 5.000 4.803 4.509 5.005 0.005 43 0 "[ . 1 . 2 . 3 . 4 . ]" 1
41 1 23 TYR H 1 48 ILE H . . 3.300 2.705 2.351 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
42 1 35 GLU H 1 38 GLN H . . 5.000 4.873 4.597 5.004 0.004 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
43 1 37 GLY H 1 66 VAL H . . 5.000 4.159 3.566 5.019 0.019 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
44 1 38 GLN H 1 66 VAL H . . 5.000 3.986 3.229 4.917 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
45 1 40 VAL H 1 64 GLY H . . 3.300 2.786 2.513 3.038 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
46 1 44 ASP H 1 60 ALA H . . 5.000 3.883 3.191 4.432 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
47 1 46 LEU H 1 60 ALA H . . 5.000 3.824 2.845 4.553 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
48 1 46 LEU H 1 58 ILE H . . 5.000 3.742 3.525 3.950 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
49 1 47 CYS H 1 58 ILE H . . 3.300 2.969 2.706 3.142 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
50 1 49 VAL H 1 58 ILE H . . 5.000 4.722 4.370 5.001 0.001 3 0 "[ . 1 . 2 . 3 . 4 . ]" 1
51 1 49 VAL H 1 56 ASN H . . 3.300 2.815 2.555 3.301 0.001 37 0 "[ . 1 . 2 . 3 . 4 . ]" 1
52 1 51 ALA H 1 54 MET H . . 3.300 2.700 2.279 3.006 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
53 1 51 ALA H 1 56 ASN H . . 5.000 4.380 3.759 4.930 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
54 1 56 ASN H 1 56 ASN QD . . 4.100 2.640 1.892 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
55 1 54 MET H 1 56 ASN QD . . 5.800 3.968 3.374 4.810 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
56 1 65 THR H 1 87 GLU H . . 3.300 2.691 2.115 2.967 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
57 1 67 LYS H 1 87 GLU H . . 5.000 4.626 4.022 4.978 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
58 1 68 ALA H 1 85 VAL H . . 3.300 3.078 2.859 3.302 0.002 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
59 1 78 GLU H 1 81 GLU H . . 5.000 3.972 3.523 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
60 1 8 GLU HA 1 9 ILE H . . 2.700 2.363 2.202 2.701 0.001 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
61 1 11 GLY HA2 1 12 HIS H . . 2.700 2.324 2.198 2.674 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
62 1 12 HIS HA 1 13 ILE H . . 2.700 2.322 2.189 2.625 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
63 1 13 ILE HA 1 14 VAL H . . 2.700 2.181 2.176 2.227 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
64 1 14 VAL HA 1 15 ARG H . . 2.700 2.187 2.181 2.267 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
65 1 15 ARG HA 1 16 SER H . . 2.700 2.235 2.224 2.263 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
66 1 17 PRO HA 1 18 MET H . . 3.300 3.242 3.239 3.255 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
67 1 18 MET HA 1 19 VAL H . . 2.700 2.241 2.202 2.417 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
68 1 19 VAL HA 1 20 GLY H . . 2.700 2.271 2.243 2.347 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
69 1 20 GLY QA 1 21 THR H . . 3.500 2.175 2.168 2.223 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
70 1 21 THR HA 1 22 PHE H . . 2.700 2.423 2.150 2.516 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
71 1 22 PHE HA 1 23 TYR H . . 2.700 2.243 2.196 2.290 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
72 1 24 ARG HA 1 25 THR H . . 5.000 3.448 3.432 3.480 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
73 1 26 PRO HA 1 27 SER H . . 5.000 3.421 3.333 3.535 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
74 1 28 PRO HA 1 29 ASP H . . 5.000 3.399 2.271 3.534 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
75 1 29 ASP HA 1 30 ALA H . . 3.300 2.919 2.593 3.262 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
76 1 30 ALA HA 1 31 LYS H . . 2.700 2.360 2.238 2.489 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
77 1 31 LYS HA 1 32 ALA H . . 2.700 2.546 2.473 2.724 0.024 8 0 "[ . 1 . 2 . 3 . 4 . ]" 1
78 1 32 ALA HA 1 33 PHE H . . 2.700 2.227 2.219 2.249 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
79 1 33 PHE HA 1 34 ILE H . . 5.000 3.602 3.584 3.619 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
80 1 34 ILE HA 1 35 GLU H . . 2.700 2.219 2.176 2.468 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
81 1 35 GLU HA 1 36 VAL H . . 2.700 2.209 2.201 2.260 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
82 1 36 VAL HA 1 37 GLY H . . 2.700 2.182 2.181 2.183 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
83 1 37 GLY HA2 1 38 GLN H . . 3.300 3.153 2.793 3.303 0.003 21 0 "[ . 1 . 2 . 3 . 4 . ]" 1
84 1 38 GLN HA 1 39 LYS H . . 2.700 2.523 2.411 2.591 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
85 1 39 LYS HA 1 40 VAL H . . 2.700 2.437 2.177 2.640 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
86 1 40 VAL HA 1 41 ASN H . . 2.700 2.266 2.207 2.341 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
87 1 41 ASN HA 1 42 VAL H . . 2.700 2.387 2.340 2.621 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
88 1 42 VAL HA 1 43 GLY H . . 2.700 2.191 2.184 2.194 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
89 1 43 GLY QA 1 44 ASP H . . 5.000 2.948 2.808 2.989 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
90 1 44 ASP HA 1 45 THR H . . 2.700 2.307 2.289 2.353 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
91 1 45 THR HA 1 46 LEU H . . 2.700 2.353 2.230 2.587 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
92 1 46 LEU HA 1 47 CYS H . . 5.000 3.580 3.544 3.617 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
93 1 47 CYS HA 1 48 ILE H . . 3.300 2.832 2.737 2.971 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
94 1 48 ILE HA 1 49 VAL H . . 2.700 2.388 2.292 2.508 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
95 1 49 VAL HA 1 50 GLU H . . 2.700 2.198 2.181 2.221 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
96 1 50 GLU HA 1 51 ALA H . . 2.700 2.240 2.208 2.300 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
97 1 51 ALA HA 1 52 MET H . . 2.700 2.497 2.275 2.711 0.011 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
98 1 52 MET HA 1 53 LYS H . . 3.300 2.741 2.273 3.100 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
99 1 53 LYS HA 1 54 MET H . . 3.300 2.735 2.604 2.897 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
100 1 54 MET HA 1 55 MET H . . 2.700 2.343 2.202 2.588 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
101 1 55 MET HA 1 56 ASN H . . 2.700 2.258 2.206 2.315 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
102 1 56 ASN HA 1 57 GLN H . . 2.700 2.327 2.255 2.522 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
103 1 57 GLN HA 1 58 ILE H . . 2.700 2.382 2.271 2.537 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
104 1 58 ILE HA 1 59 GLU H . . 2.700 2.177 2.175 2.178 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
105 1 59 GLU HA 1 60 ALA H . . 2.700 2.248 2.202 2.392 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
106 1 60 ALA HA 1 61 ASP H . . 3.300 2.254 2.220 3.124 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
107 1 61 ASP HA 1 62 LYS H . . 5.000 3.171 3.056 3.523 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
108 1 62 LYS HA 1 63 SER H . . 2.700 2.266 2.179 2.348 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
109 1 63 SER HA 1 64 GLY H . . 2.700 2.315 2.243 2.474 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
110 1 64 GLY HA2 1 65 THR H . . 2.700 2.696 2.599 2.721 0.021 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
111 1 64 GLY HA3 1 65 THR H . . 2.700 2.545 2.523 2.639 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
112 1 65 THR HA 1 66 VAL H . . 2.700 2.460 2.232 2.705 0.005 3 0 "[ . 1 . 2 . 3 . 4 . ]" 1
113 1 66 VAL HA 1 67 LYS H . . 2.700 2.427 2.243 2.685 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
114 1 69 ILE HA 1 70 LEU H . . 2.700 2.199 2.176 2.300 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
115 1 68 ALA HA 1 69 ILE H . . 2.700 2.228 2.218 2.267 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
116 1 70 LEU HA 1 71 VAL H . . 5.000 3.608 3.579 3.623 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
117 1 71 VAL HA 1 72 GLU H . . 2.700 2.350 2.243 2.536 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
118 1 72 GLU HA 1 73 SER H . . 2.700 2.465 2.204 2.702 0.002 49 0 "[ . 1 . 2 . 3 . 4 . ]" 1
119 1 73 SER HA 1 74 GLY H . . 2.700 2.280 2.231 2.358 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
120 1 74 GLY HA3 1 75 GLN H . . 3.300 3.152 2.893 3.313 0.013 13 0 "[ . 1 . 2 . 3 . 4 . ]" 1
121 1 75 GLN HA 1 76 PRO HD3 . . 2.700 1.987 1.929 2.015 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
122 1 76 PRO HA 1 77 VAL H . . 2.700 2.384 2.200 2.552 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
123 1 77 VAL HA 1 78 GLU H . . 2.700 2.416 2.393 2.497 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
124 1 78 GLU HA 1 79 PHE H . . 2.700 2.458 2.244 2.630 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
125 1 79 PHE HA 1 80 ASP H . . 2.700 2.234 2.195 2.298 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
126 1 80 ASP HA 1 81 GLU H . . 5.000 3.334 3.117 3.635 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
127 1 81 GLU HA 1 82 PRO HD3 . . 2.700 1.959 1.929 1.999 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
128 1 82 PRO HA 1 83 LEU H . . 2.700 2.324 2.150 2.448 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
129 1 83 LEU HA 1 84 VAL H . . 5.000 3.615 3.607 3.633 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
130 1 84 VAL HA 1 85 VAL H . . 2.700 2.299 2.243 2.438 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
131 1 85 VAL HA 1 86 ILE H . . 2.700 2.193 2.182 2.230 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
132 1 86 ILE HA 1 87 GLU H . . 2.700 2.459 2.324 2.512 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
133 1 11 GLY H 1 87 GLU HA . . 3.300 3.119 1.949 3.309 0.009 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
134 1 12 HIS H 1 85 VAL HA . . 5.000 4.856 4.196 5.006 0.006 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
135 1 12 HIS H 1 87 GLU HA . . 5.000 3.302 2.830 3.874 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
136 1 14 VAL H 1 85 VAL HA . . 3.300 3.293 3.200 3.312 0.012 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
137 1 16 SER HA 1 18 MET H . . 3.300 3.286 3.232 3.346 0.046 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
138 1 18 MET H 1 79 PHE HA . . 5.000 4.126 3.783 4.634 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
139 1 19 VAL H 1 79 PHE HA . . 5.000 4.456 3.843 5.005 0.005 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
140 1 20 GLY H 1 78 GLU HA . . 5.000 3.484 3.232 3.729 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
141 1 22 PHE H 1 76 PRO HA . . 5.000 3.507 2.887 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
142 1 24 ARG H 1 73 SER HA . . 5.000 2.716 2.145 3.483 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
143 1 25 THR HA 1 27 SER H . . 5.000 4.031 3.847 4.564 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
144 1 25 THR HA 1 33 PHE H . . 3.300 2.836 2.595 3.177 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
145 1 32 ALA HA 1 34 ILE H . . 5.000 4.057 3.971 4.158 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
146 1 36 VAL HA 1 38 GLN H . . 5.000 3.483 3.353 4.022 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
147 1 40 VAL H 1 64 GLY HA3 . . 5.000 4.834 4.599 4.964 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
148 1 42 VAL HA 1 44 ASP H . . 5.000 3.535 3.418 3.903 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
149 1 46 LEU H 1 59 GLU HA . . 3.300 3.225 2.878 3.313 0.013 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
150 1 47 CYS H 1 58 ILE HA . . 5.000 4.907 4.593 5.016 0.016 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
151 1 47 CYS H 1 59 GLU HA . . 5.000 4.701 4.426 4.906 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
152 1 47 CYS H 1 57 GLN HA . . 5.000 4.933 4.683 5.013 0.013 5 0 "[ . 1 . 2 . 3 . 4 . ]" 1
153 1 49 VAL H 1 57 GLN HA . . 5.000 3.261 2.949 3.646 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
154 1 20 GLY QA 1 50 GLU H . . 5.800 4.278 3.692 4.638 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
155 1 22 PHE HA 1 50 GLU H . . 5.000 3.465 3.246 3.926 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
156 1 51 ALA H 1 55 MET HA . . 5.000 3.625 3.215 4.084 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
157 1 51 ALA HA 1 53 LYS H . . 5.000 3.800 3.085 5.023 0.023 33 0 "[ . 1 . 2 . 3 . 4 . ]" 1
158 1 50 GLU HA 1 56 ASN QD . . 5.800 2.987 2.575 3.524 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
159 1 55 MET HA 1 56 ASN QD . . 5.800 3.305 2.588 4.196 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
160 1 50 GLU HA 1 56 ASN H . . 3.300 3.187 2.908 3.305 0.005 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
161 1 48 ILE HA 1 58 ILE H . . 3.300 2.882 2.609 3.160 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
162 1 45 THR HA 1 60 ALA H . . 3.300 3.112 2.681 3.306 0.006 38 0 "[ . 1 . 2 . 3 . 4 . ]" 1
163 1 42 VAL HA 1 62 LYS H . . 5.000 3.867 3.219 4.592 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
164 1 60 ALA HA 1 62 LYS H . . 5.000 3.589 3.470 3.976 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
165 1 41 ASN HA 1 63 SER H . . 5.000 3.900 3.433 4.430 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
166 1 41 ASN HA 1 64 GLY H . . 5.000 3.796 3.624 3.914 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
167 1 65 THR H 1 86 ILE HA . . 5.000 4.862 4.223 5.005 0.005 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
168 1 67 LYS H 1 86 ILE HA . . 3.300 3.070 2.618 3.310 0.010 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
169 1 68 ALA H 1 86 ILE HA . . 5.000 3.941 3.707 4.049 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
170 1 70 LEU H 1 83 LEU HA . . 5.000 4.478 4.232 4.828 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
171 1 70 LEU H 1 84 VAL HA . . 5.000 2.528 2.200 2.845 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
172 1 23 TYR HA 1 73 SER H . . 5.000 4.789 4.317 5.000 0.000 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
173 1 23 TYR HA 1 74 GLY H . . 3.300 2.610 2.188 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
174 1 21 THR HA 1 77 VAL H . . 3.300 2.864 2.378 3.303 0.003 27 0 "[ . 1 . 2 . 3 . 4 . ]" 1
175 1 19 VAL HA 1 77 VAL H . . 5.000 4.535 4.048 4.806 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
176 1 20 GLY QA 1 77 VAL H . . 5.800 3.921 3.638 4.073 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
177 1 19 VAL HA 1 79 PHE H . . 5.000 3.573 2.920 4.050 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
178 1 15 ARG HA 1 83 LEU H . . 3.300 3.253 2.685 3.307 0.007 12 0 "[ . 1 . 2 . 3 . 4 . ]" 1
179 1 13 ILE HA 1 84 VAL H . . 5.000 4.884 4.574 5.005 0.005 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
180 1 82 PRO HA 1 84 VAL H . . 5.000 4.927 4.706 5.005 0.005 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
181 1 69 ILE HA 1 85 VAL H . . 5.000 2.816 2.584 3.011 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
182 1 11 GLY HA2 1 86 ILE H . . 5.000 4.712 4.212 5.005 0.005 47 0 "[ . 1 . 2 . 3 . 4 . ]" 1
183 1 13 ILE HA 1 86 ILE H . . 3.300 3.005 2.516 3.305 0.005 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
184 1 66 VAL HA 1 87 GLU H . . 5.000 3.944 3.330 4.302 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
185 1 64 GLY HA2 1 87 GLU H . . 5.000 4.861 4.063 5.006 0.006 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
186 1 11 GLY HA2 1 87 GLU HA . . 3.300 2.084 1.992 2.821 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
187 1 13 ILE HA 1 85 VAL HA . . 2.700 2.291 1.999 2.536 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
188 1 15 ARG HA 1 82 PRO HA . . 2.700 2.337 1.996 2.703 0.003 35 0 "[ . 1 . 2 . 3 . 4 . ]" 1
189 1 18 MET HA 1 79 PHE HA . . 5.000 4.363 3.481 5.005 0.005 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
190 1 19 VAL HA 1 78 GLU HA . . 2.700 2.344 1.997 2.572 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
191 1 21 THR HA 1 76 PRO HA . . 2.700 2.002 1.978 2.150 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
192 1 22 PHE HA 1 49 VAL HA . . 2.700 2.245 1.993 2.704 0.004 15 0 "[ . 1 . 2 . 3 . 4 . ]" 1
193 1 23 TYR HA 1 73 SER HA . . 2.700 2.040 1.984 2.276 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
194 1 24 ARG HA 1 47 CYS HA . . 5.000 3.245 2.952 3.492 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
195 1 25 THR HA 1 32 ALA HA . . 3.300 3.130 2.948 3.243 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
196 1 41 ASN HA 1 63 SER HA . . 3.300 2.539 2.271 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
197 1 42 VAL HA 1 61 ASP HA . . 5.000 3.973 3.058 4.677 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
198 1 45 THR HA 1 59 GLU HA . . 2.700 2.179 1.992 2.404 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
199 1 48 ILE HA 1 57 GLN HA . . 2.700 2.099 1.995 2.381 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
200 1 50 GLU HA 1 55 MET HA . . 2.700 2.592 2.042 2.703 0.003 19 0 "[ . 1 . 2 . 3 . 4 . ]" 1
201 1 66 VAL HA 1 86 ILE HA . . 5.000 2.970 2.235 3.279 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
202 1 77 VAL HA 1 78 GLU HA . . 5.000 4.410 4.382 4.456 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
203 1 12 HIS HD2 1 86 ILE HB . . 3.300 3.292 3.058 3.306 0.006 46 0 "[ . 1 . 2 . 3 . 4 . ]" 1
204 1 22 PHE HD1 1 74 GLY H . . 3.300 3.297 3.218 3.310 0.010 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
205 1 22 PHE HD1 1 73 SER HA . . 3.300 2.953 2.038 3.195 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
206 1 22 PHE HD1 1 71 VAL MG1 . . 3.800 2.858 2.565 3.008 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
207 1 22 PHE HD1 1 71 VAL MG2 . . 3.800 2.351 2.184 2.731 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
208 1 22 PHE HD1 1 71 VAL HB . . 5.000 5.008 4.938 5.037 0.037 1 0 "[ . 1 . 2 . 3 . 4 . ]" 1
209 1 22 PHE HD2 1 83 LEU MD1 . . 3.200 2.169 1.776 2.515 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
210 1 22 PHE HE1 1 24 ARG HD3 . . 3.300 2.281 1.988 3.383 0.083 49 0 "[ . 1 . 2 . 3 . 4 . ]" 1
211 1 22 PHE HE1 1 24 ARG HG3 . . 3.300 3.088 1.940 3.321 0.021 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
212 1 22 PHE HE1 1 72 GLU HA . . 5.000 4.575 4.035 5.007 0.007 16 0 "[ . 1 . 2 . 3 . 4 . ]" 1
213 1 22 PHE HZ 1 69 ILE MG . . 3.800 3.213 3.156 3.265 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
214 1 22 PHE HZ 1 47 CYS HB3 . . 5.000 2.635 2.351 2.848 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
215 1 22 PHE HE1 1 48 ILE H . . 5.000 5.014 5.001 5.037 0.037 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
216 1 22 PHE HD1 1 72 GLU H . . 5.000 4.417 3.932 4.896 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
217 1 22 PHE HE1 1 73 SER H . . 5.000 4.790 3.544 5.003 0.003 42 0 "[ . 1 . 2 . 3 . 4 . ]" 1
218 1 23 TYR HE1 1 74 GLY HA2 . . 2.700 2.279 2.000 2.701 0.001 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
219 1 23 TYR HD1 1 74 GLY H . . 5.000 3.352 3.077 3.743 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
220 1 21 THR HB 1 23 TYR HE2 . . 3.300 3.033 2.309 3.300 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
221 1 21 THR MG 1 23 TYR HE2 . . 3.800 2.969 2.769 3.038 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
222 1 23 TYR HD1 1 73 SER HB3 . . 5.000 4.378 2.894 5.001 0.001 25 0 "[ . 1 . 2 . 3 . 4 . ]" 1
223 1 23 TYR HD2 1 48 ILE MG . . 5.500 3.061 2.449 3.639 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
224 1 23 TYR HD2 1 48 ILE HB . . 3.300 3.315 3.302 3.338 0.038 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
225 1 33 PHE HD2 1 47 CYS HA . . 3.300 3.206 2.823 3.309 0.009 29 0 "[ . 1 . 2 . 3 . 4 . ]" 1
226 1 26 PRO HD3 1 33 PHE HE2 . . 3.300 2.945 2.319 3.307 0.007 26 0 "[ . 1 . 2 . 3 . 4 . ]" 1
227 1 26 PRO HB3 1 33 PHE HE2 . . 5.000 3.008 2.644 3.679 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
228 1 33 PHE HD1 1 45 THR MG . . 3.200 2.388 1.946 2.546 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
229 1 33 PHE HE1 1 45 THR MG . . 3.200 2.316 2.150 2.440 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
230 1 32 ALA HA 1 33 PHE HD2 . . 5.000 4.378 4.038 4.616 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
231 1 25 THR HA 1 33 PHE HD2 . . 5.000 2.350 2.045 2.879 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
232 1 25 THR HA 1 33 PHE HE2 . . 5.000 3.245 2.908 3.666 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
233 1 33 PHE HD2 1 48 ILE H . . 5.000 4.606 4.263 4.996 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
234 1 19 VAL H 1 79 PHE QD . . 5.000 3.992 2.759 4.885 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
235 1 79 PHE QD 1 80 ASP H . . 5.000 3.527 2.895 3.875 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
236 1 79 PHE QD 1 80 ASP HB3 . . 3.300 3.168 2.468 3.337 0.037 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
237 1 19 VAL MG2 1 79 PHE QD . . 5.000 3.402 2.356 3.950 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
238 1 18 MET HA 1 79 PHE QD . . 3.300 3.249 2.760 3.303 0.003 24 0 "[ . 1 . 2 . 3 . 4 . ]" 1
239 1 9 ILE MD 1 11 GLY H . . 5.500 4.312 3.126 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
240 1 12 HIS H 1 86 ILE HB . . 3.300 3.194 2.727 3.310 0.010 20 0 "[ . 1 . 2 . 3 . 4 . ]" 1
241 1 12 HIS HB3 1 13 ILE H . . 5.000 4.003 2.380 4.687 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
242 1 14 VAL H 1 84 VAL HB . . 5.000 4.193 3.694 4.726 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
243 1 13 ILE MG 1 14 VAL H . . 3.800 2.868 2.564 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
244 1 14 VAL MG1 1 15 ARG H . . 3.800 2.852 2.267 3.026 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
245 1 13 ILE MG 1 15 ARG H . . 5.500 4.311 3.851 4.435 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
246 1 15 ARG HA 1 83 LEU HG . . 3.300 2.873 2.299 3.301 0.001 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
247 1 16 SER H 1 83 LEU MD2 . . 3.800 2.925 2.356 3.129 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
248 1 16 SER H 1 83 LEU HG . . 3.300 1.974 1.945 2.281 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
249 1 16 SER HA 1 17 PRO HD3 . . 2.700 2.109 2.051 2.166 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
250 1 17 PRO HD3 1 58 ILE MD . . 5.500 3.376 3.017 3.711 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
251 1 17 PRO HD3 1 58 ILE MG . . 5.500 4.130 3.443 4.463 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
252 1 18 MET H 1 77 VAL QG . . 6.500 3.973 3.298 4.711 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
253 1 18 MET H 1 49 VAL MG1 . . 5.500 3.778 3.456 4.158 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
254 1 18 MET HA 1 19 VAL MG2 . . 5.500 3.429 3.176 3.668 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
255 1 19 VAL H 1 19 VAL HB . . 2.700 2.585 2.444 2.663 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
256 1 19 VAL H 1 19 VAL MG2 . . 3.800 2.007 1.868 2.317 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
257 1 19 VAL HA 1 77 VAL QG . . 6.500 2.711 1.960 3.225 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
258 1 19 VAL HB 1 20 GLY H . . 5.000 3.946 3.799 4.092 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
259 1 19 VAL MG1 1 20 GLY H . . 3.200 2.215 1.930 2.510 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
260 1 20 GLY H 1 77 VAL QG . . 4.200 2.299 1.891 2.534 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
261 1 20 GLY QA 1 49 VAL MG1 . . 6.300 3.377 2.656 3.669 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
262 1 20 GLY QA 1 51 ALA MB . . 6.300 3.034 2.133 3.604 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
263 1 21 THR H 1 51 ALA MB . . 5.500 4.072 3.518 4.524 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
264 1 21 THR HA 1 77 VAL QG . . 6.500 2.518 1.961 3.134 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
265 1 21 THR H 1 49 VAL MG1 . . 3.800 2.898 2.749 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
266 1 21 THR HB 1 22 PHE H . . 5.000 3.742 3.474 4.390 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
267 1 21 THR MG 1 22 PHE H . . 3.800 2.057 1.812 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
268 1 22 PHE H 1 77 VAL QG . . 6.500 2.719 1.959 3.103 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
269 1 22 PHE HA 1 49 VAL MG1 . . 5.500 3.794 3.440 4.242 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
270 1 22 PHE HA 1 49 VAL MG2 . . 3.800 2.652 2.113 3.005 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
271 1 22 PHE HB3 1 23 TYR H . . 5.000 4.263 4.174 4.397 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
272 1 23 TYR H 1 48 ILE HB . . 3.300 3.276 3.128 3.316 0.016 48 0 "[ . 1 . 2 . 3 . 4 . ]" 1
273 1 23 TYR H 1 48 ILE MG . . 5.500 4.100 3.655 4.420 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
274 1 23 TYR H 1 49 VAL MG2 . . 5.500 3.717 3.367 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
275 1 23 TYR HB3 1 48 ILE HB . . 3.300 3.301 3.205 3.326 0.026 32 0 "[ . 1 . 2 . 3 . 4 . ]" 1
276 1 24 ARG H 1 73 SER HB3 . . 5.000 3.072 1.945 4.252 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
277 1 23 TYR HB3 1 24 ARG H . . 3.300 2.829 2.456 3.121 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
278 1 24 ARG HD3 1 69 ILE MG . . 3.800 2.277 1.910 3.133 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
279 1 23 TYR HB3 1 25 THR H . . 3.300 2.536 2.418 2.870 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
280 1 25 THR HA 1 30 ALA MB . . 5.500 4.409 4.325 4.449 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
281 1 25 THR HA 1 32 ALA MB . . 5.500 4.483 4.344 4.577 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
282 1 25 THR HB 1 30 ALA MB . . 3.800 2.925 2.747 3.001 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
283 1 25 THR HB 1 27 SER H . . 3.300 2.698 2.421 3.302 0.002 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
284 1 26 PRO HD3 1 27 SER H . . 5.000 3.684 3.655 3.764 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
285 1 26 PRO HB3 1 27 SER H . . 5.000 4.370 4.004 4.525 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
286 1 27 SER H 1 30 ALA MB . . 3.200 2.105 1.913 2.407 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
287 1 25 THR HB 1 30 ALA H . . 5.000 3.956 3.633 4.264 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
288 1 31 LYS HB3 1 32 ALA H . . 3.300 2.547 2.145 3.370 0.070 41 0 "[ . 1 . 2 . 3 . 4 . ]" 1
289 1 25 THR MG 1 32 ALA HA . . 3.200 1.773 1.765 1.824 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
290 1 32 ALA MB 1 33 PHE H . . 3.800 3.107 3.010 3.161 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
291 1 25 THR MG 1 33 PHE H . . 3.800 2.885 2.848 2.989 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
292 1 33 PHE HB3 1 45 THR MG . . 5.500 2.844 2.370 3.206 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
293 1 32 ALA MB 1 34 ILE H . . 3.800 2.960 2.755 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
294 1 34 ILE HA 1 38 GLN HB3 . . 5.000 3.931 3.128 4.786 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
295 1 34 ILE HA 1 40 VAL MG1 . . 5.500 3.926 3.476 4.534 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
296 1 35 GLU H 1 38 GLN HB3 . . 3.300 3.301 3.158 3.310 0.010 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
297 1 36 VAL H 1 69 ILE HG13 . . 5.000 5.954 5.473 6.422 1.422 29 48 "[***-*********************** +********************]" 1
298 1 36 VAL HA 1 66 VAL HB . . 3.300 3.066 2.649 3.301 0.001 17 0 "[ . 1 . 2 . 3 . 4 . ]" 1
299 1 37 GLY H 1 66 VAL HB . . 2.700 2.650 2.252 2.709 0.009 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
300 1 36 VAL HB 1 37 GLY H . . 5.000 4.403 4.373 4.479 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
301 1 36 VAL MG1 1 37 GLY H . . 3.800 2.927 2.771 3.042 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
302 1 37 GLY HA2 1 66 VAL MG1 . . 3.200 2.563 2.362 2.632 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
303 1 36 VAL MG1 1 37 GLY HA2 . . 5.500 3.705 3.545 3.884 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
304 1 38 GLN H 1 66 VAL MG1 . . 3.800 2.813 2.342 2.981 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
305 1 34 ILE HA 1 38 GLN HE21 . . 3.300 3.243 1.950 4.201 0.901 38 5 "[ . 1 . 2 . 3 . + - * .** ]" 1
306 1 38 GLN HB3 1 39 LYS H . . 3.300 3.299 3.245 3.305 0.005 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
307 1 40 VAL H 1 40 VAL MG2 . . 3.800 2.221 1.904 2.427 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
308 1 40 VAL HA 1 44 ASP HB3 . . 5.000 3.553 3.028 3.956 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
309 1 40 VAL HB 1 60 ALA MB . . 5.500 2.853 2.579 3.480 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
310 1 40 VAL HB 1 41 ASN H . . 3.300 3.041 2.798 3.301 0.001 36 0 "[ . 1 . 2 . 3 . 4 . ]" 1
311 1 40 VAL MG1 1 41 ASN H . . 5.500 3.872 3.717 4.050 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
312 1 42 VAL H 1 42 VAL HB . . 2.700 2.217 2.116 2.454 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
313 1 42 VAL HA 1 60 ALA MB . . 3.800 2.792 1.901 3.015 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
314 1 42 VAL HB 1 43 GLY H . . 5.000 4.582 4.486 4.596 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
315 1 43 GLY H 1 60 ALA MB . . 3.800 2.734 1.846 3.007 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
316 1 43 GLY QA 1 59 GLU HG3 . . 3.300 3.334 2.041 4.911 1.611 44 9 "[ . 1** ** 2 - **3 * 4 +. ]" 1
317 1 42 VAL QG 1 43 GLY H . . 4.200 3.032 2.874 3.117 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
318 1 40 VAL HB 1 44 ASP H . . 5.000 4.400 4.209 4.590 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
319 1 44 ASP H 1 60 ALA MB . . 3.800 2.764 2.197 3.011 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
320 1 44 ASP HB3 1 60 ALA MB . . 5.500 3.602 3.355 3.895 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
321 1 40 VAL MG1 1 44 ASP HB3 . . 3.800 2.945 2.762 3.052 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
322 1 40 VAL MG2 1 44 ASP HB3 . . 5.500 4.421 4.048 4.622 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
323 1 44 ASP HB3 1 45 THR H . . 3.300 3.301 3.210 3.315 0.015 40 0 "[ . 1 . 2 . 3 . 4 . ]" 1
324 1 45 THR HB 1 46 LEU H . . 5.000 3.855 3.361 4.146 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
325 1 45 THR MG 1 46 LEU H . . 3.200 2.177 1.794 2.500 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
326 1 33 PHE HB3 1 46 LEU HA . . 5.000 3.840 3.700 4.128 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
327 1 46 LEU H 1 58 ILE MG . . 5.500 4.277 3.783 4.544 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
328 1 47 CYS H 1 58 ILE HB . . 3.300 2.760 2.396 3.101 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
329 1 47 CYS H 1 58 ILE MG . . 5.500 4.117 3.803 4.431 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
330 1 45 THR MG 1 47 CYS HA . . 5.500 3.372 3.264 3.453 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
331 1 45 THR MG 1 47 CYS H . . 3.200 2.533 2.476 2.586 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
332 1 48 ILE HA 1 57 GLN HG3 . . 5.000 3.793 3.336 4.982 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
333 1 48 ILE HA 1 58 ILE HB . . 5.000 4.281 3.664 4.949 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
334 1 48 ILE HA 1 58 ILE MD . . 5.500 4.140 3.477 4.499 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
335 1 49 VAL H 1 56 ASN HB3 . . 5.000 4.488 4.295 4.677 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
336 1 48 ILE HB 1 49 VAL H . . 5.000 3.754 3.474 4.010 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
337 1 48 ILE MG 1 49 VAL H . . 3.800 1.982 1.835 2.158 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
338 1 21 THR HB 1 50 GLU H . . 3.300 2.790 2.605 3.094 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
339 1 49 VAL HB 1 50 GLU H . . 5.000 4.394 4.301 4.507 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
340 1 49 VAL MG1 1 50 GLU H . . 3.800 2.697 2.381 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
341 1 48 ILE MG 1 50 GLU H . . 5.500 4.187 3.853 4.357 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
342 1 21 THR MG 1 50 GLU H . . 5.500 3.821 3.537 4.346 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
343 1 49 VAL MG1 1 50 GLU HA . . 5.500 3.826 3.654 4.076 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
344 1 48 ILE MG 1 50 GLU HA . . 5.500 4.062 3.914 4.285 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
345 1 23 TYR HD2 1 50 GLU H . . 5.000 3.633 3.266 3.905 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
346 1 23 TYR HE2 1 50 GLU H . . 5.000 3.898 3.666 4.138 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
347 1 50 GLU HB3 1 51 ALA H . . 5.000 3.825 3.473 4.130 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
348 1 50 GLU HG3 1 51 ALA H . . 3.300 3.291 3.163 3.303 0.003 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
349 1 49 VAL MG1 1 51 ALA H . . 5.500 4.345 4.146 4.456 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
350 1 52 MET H 1 52 MET HA . . 2.700 2.291 2.174 2.688 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
351 1 51 ALA MB 1 52 MET H . . 5.500 2.540 2.021 2.928 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
352 1 51 ALA MB 1 52 MET HG3 . . 5.500 3.754 2.770 4.264 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
353 1 53 LYS H 1 53 LYS HA . . 2.700 2.225 2.206 2.239 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
354 1 51 ALA MB 1 54 MET H . . 5.500 4.266 3.343 4.621 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
355 1 48 ILE MG 1 55 MET HG3 . . 5.500 3.474 1.913 4.610 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
356 1 48 ILE MG 1 56 ASN H . . 3.800 2.692 2.343 3.136 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
357 1 49 VAL HB 1 56 ASN H . . 5.000 4.247 3.980 4.502 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
358 1 51 ALA MB 1 56 ASN QD . . 4.600 2.420 1.888 3.123 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
359 1 45 THR MG 1 57 GLN HA . . 5.500 4.087 3.837 4.445 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
360 1 48 ILE MG 1 57 GLN HA . . 3.800 2.472 2.107 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
361 1 45 THR MG 1 58 ILE H . . 3.800 3.001 2.804 3.141 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
362 1 58 ILE HB 1 59 GLU H . . 5.000 4.311 4.186 4.449 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
363 1 58 ILE MG 1 59 GLU H . . 3.800 2.943 2.775 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
364 1 45 THR MG 1 59 GLU HA . . 5.500 3.535 3.121 3.991 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
365 1 44 ASP HB3 1 60 ALA H . . 5.000 4.639 4.460 4.929 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
366 1 46 LEU QD 1 60 ALA H . . 4.800 3.073 2.449 3.614 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
367 1 60 ALA MB 1 61 ASP H . . 3.800 3.039 1.842 3.154 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
368 1 42 VAL QG 1 61 ASP HA . . 4.800 2.820 1.859 3.546 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
369 1 60 ALA MB 1 62 LYS H . . 3.800 2.697 2.439 2.873 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
370 1 42 VAL QG 1 63 SER H . . 4.800 2.756 1.851 3.664 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
371 1 40 VAL MG2 1 63 SER HA . . 3.800 2.868 2.723 3.011 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
372 1 40 VAL QG 1 64 GLY H . . 4.200 2.045 1.899 2.369 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
373 1 64 GLY HA3 1 86 ILE MG . . 3.200 2.277 1.804 2.551 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
374 1 65 THR H 1 86 ILE MG . . 3.800 2.678 2.078 2.995 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
375 1 40 VAL MG1 1 65 THR HA . . 5.500 4.334 4.283 4.451 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
376 1 40 VAL MG2 1 65 THR HA . . 5.500 3.524 3.227 4.016 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
377 1 66 VAL HB 1 67 LYS H . . 5.000 4.015 3.785 4.257 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
378 1 66 VAL MG2 1 67 LYS H . . 3.200 1.996 1.796 2.346 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
379 1 68 ALA MB 1 70 LEU MD2 . . 4.300 2.677 2.518 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
380 1 66 VAL MG2 1 68 ALA H . . 3.800 2.960 2.796 3.046 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
381 1 68 ALA H 1 85 VAL QG . . 4.800 3.590 3.433 3.694 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
382 1 68 ALA H 1 85 VAL HB . . 3.300 2.865 2.638 3.038 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
383 1 68 ALA MB 1 85 VAL HB . . 3.800 2.571 2.338 2.921 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
384 1 68 ALA MB 1 69 ILE H . . 3.800 3.107 2.972 3.158 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
385 1 36 VAL MG2 1 69 ILE H . . 5.500 4.269 3.913 4.520 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
386 1 69 ILE H 1 70 LEU MD2 . . 5.500 3.792 3.575 3.982 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
387 1 70 LEU H 1 84 VAL QG . . 6.500 3.158 2.953 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
388 1 70 LEU H 1 85 VAL QG . . 6.500 3.791 3.460 4.221 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
389 1 70 LEU H 1 71 VAL MG1 . . 5.500 3.314 2.999 3.679 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
390 1 70 LEU HG 1 71 VAL MG1 . . 5.500 4.183 4.021 4.316 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
391 1 69 ILE MG 1 71 VAL H . . 3.800 2.859 2.574 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
392 1 70 LEU HG 1 71 VAL H . . 3.300 3.281 3.138 3.310 0.010 11 0 "[ . 1 . 2 . 3 . 4 . ]" 1
393 1 71 VAL MG2 1 72 GLU H . . 3.200 2.159 1.784 2.511 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
394 1 72 GLU H 1 75 GLN HE22 . . 5.000 4.273 2.654 5.001 0.001 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
395 1 72 GLU H 1 75 GLN HE21 . . 5.000 3.808 2.060 5.002 0.002 24 0 "[ . 1 . 2 . 3 . 4 . ]" 1
396 1 23 TYR HE1 1 74 GLY H . . 5.000 4.160 3.843 4.471 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
397 1 73 SER HB3 1 74 GLY H . . 5.000 4.512 3.918 4.680 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
398 1 21 THR MG 1 74 GLY HA2 . . 3.200 2.678 2.348 2.780 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
399 1 75 GLN H 1 76 PRO HD3 . . 5.000 4.708 4.545 4.775 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
400 1 21 THR MG 1 75 GLN H . . 5.500 3.865 3.270 4.196 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
401 1 71 VAL MG2 1 75 GLN H . . 5.500 3.573 3.277 4.003 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
402 1 21 THR MG 1 76 PRO HA . . 3.800 2.827 2.656 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
403 1 76 PRO HA 1 77 VAL QG . . 4.800 3.034 2.772 3.219 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
404 1 77 VAL HB 1 78 GLU H . . 2.700 2.668 2.522 2.717 0.017 28 0 "[ . 1 . 2 . 3 . 4 . ]" 1
405 1 77 VAL QG 1 78 GLU H . . 4.200 3.144 2.773 3.316 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
406 1 19 VAL MG2 1 78 GLU HA . . 3.800 2.500 1.920 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
407 1 19 VAL MG2 1 79 PHE H . . 3.200 1.757 1.725 2.001 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
408 1 19 VAL MG2 1 79 PHE HA . . 5.500 3.122 2.665 3.564 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
409 1 79 PHE HB3 1 80 ASP H . . 5.000 4.178 3.738 4.467 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
410 1 15 ARG HD3 1 80 ASP HA . . 5.000 3.903 2.656 4.988 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
411 1 15 ARG HB3 1 80 ASP HA . . 3.300 3.132 2.159 3.312 0.012 45 0 "[ . 1 . 2 . 3 . 4 . ]" 1
412 1 15 ARG HB3 1 81 GLU H . . 5.000 4.045 3.451 4.659 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
413 1 14 VAL MG1 1 83 LEU H . . 5.500 3.998 3.415 4.457 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
414 1 13 ILE MG 1 83 LEU H . . 5.500 3.169 2.674 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
415 1 71 VAL MG1 1 83 LEU HA . . 3.200 2.419 1.943 2.555 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
416 1 71 VAL MG1 1 83 LEU MD2 . . 4.300 2.390 2.229 2.662 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
417 1 70 LEU MD1 1 83 LEU HA . . 5.500 4.262 3.773 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
418 1 70 LEU HG 1 83 LEU HA . . 5.000 4.227 3.863 4.751 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
419 1 13 ILE MG 1 84 VAL H . . 5.500 4.189 3.579 4.455 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
420 1 84 VAL H 1 84 VAL MG2 . . 3.800 2.691 2.153 3.070 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
421 1 14 VAL HB 1 84 VAL H . . 5.000 2.060 1.947 2.701 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
422 1 70 LEU HG 1 84 VAL HA . . 5.000 2.889 2.581 3.264 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
423 1 68 ALA MB 1 85 VAL H . . 5.500 3.893 3.700 4.218 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
424 1 84 VAL MG1 1 85 VAL H . . 3.200 2.188 1.881 2.508 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
425 1 70 LEU MD1 1 85 VAL H . . 5.500 4.470 4.417 4.527 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
426 1 84 VAL MG1 1 85 VAL HA . . 5.500 4.048 3.565 4.283 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
427 1 85 VAL HA 1 86 ILE HB . . 5.000 4.317 4.230 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
428 1 13 ILE MG 1 85 VAL HA . . 5.500 3.385 2.874 3.733 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
429 1 13 ILE MD 1 85 VAL HA . . 5.500 3.572 1.967 4.631 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
430 1 12 HIS HB3 1 86 ILE H . . 5.000 4.573 3.347 5.025 0.025 6 0 "[ . 1 . 2 . 3 . 4 . ]" 1
431 1 85 VAL HB 1 86 ILE H . . 5.000 4.263 3.981 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
432 1 65 THR HB 1 87 GLU H . . 5.000 4.236 3.640 5.009 0.009 14 0 "[ . 1 . 2 . 3 . 4 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 527
_Distance_constraint_stats_list.Viol_total 175.623
_Distance_constraint_stats_list.Viol_max 0.056
_Distance_constraint_stats_list.Viol_rms 0.0051
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0068
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 HIS 0.034 0.005 48 0 "[ . 1 . 2 . 3 . 4 . ]"
1 16 SER 0.055 0.011 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 20 GLY 0.397 0.025 28 0 "[ . 1 . 2 . 3 . 4 . ]"
1 21 THR 0.346 0.015 29 0 "[ . 1 . 2 . 3 . 4 . ]"
1 22 PHE 0.286 0.045 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 23 TYR 0.221 0.016 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 24 ARG 0.252 0.014 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 33 PHE 0.252 0.014 38 0 "[ . 1 . 2 . 3 . 4 . ]"
1 40 VAL 0.144 0.008 19 0 "[ . 1 . 2 . 3 . 4 . ]"
1 44 ASP 0.036 0.036 40 0 "[ . 1 . 2 . 3 . 4 . ]"
1 47 CYS 0.011 0.004 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 48 ILE 0.221 0.016 15 0 "[ . 1 . 2 . 3 . 4 . ]"
1 49 VAL 0.014 0.003 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 50 GLU 0.346 0.015 29 0 "[ . 1 . 2 . 3 . 4 . ]"
1 51 ALA 0.108 0.009 48 0 "[ . 1 . 2 . 3 . 4 . ]"
1 54 MET 0.108 0.009 48 0 "[ . 1 . 2 . 3 . 4 . ]"
1 56 ASN 0.014 0.003 16 0 "[ . 1 . 2 . 3 . 4 . ]"
1 58 ILE 0.011 0.004 42 0 "[ . 1 . 2 . 3 . 4 . ]"
1 60 ALA 0.036 0.036 40 0 "[ . 1 . 2 . 3 . 4 . ]"
1 64 GLY 0.144 0.008 19 0 "[ . 1 . 2 . 3 . 4 . ]"
1 68 ALA 0.768 0.040 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 75 GLN 0.286 0.045 13 0 "[ . 1 . 2 . 3 . 4 . ]"
1 77 VAL 0.397 0.025 28 0 "[ . 1 . 2 . 3 . 4 . ]"
1 78 GLU 0.912 0.056 1 0 "[ . 1 . 2 . 3 . 4 . ]"
1 81 GLU 0.967 0.056 1 0 "[ . 1 . 2 . 3 . 4 . ]"
1 85 VAL 0.768 0.040 6 0 "[ . 1 . 2 . 3 . 4 . ]"
1 86 ILE 0.034 0.005 48 0 "[ . 1 . 2 . 3 . 4 . ]"
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 12 HIS H 1 86 ILE O . . 2.000 1.905 1.796 2.005 0.005 48 0 "[ . 1 . 2 . 3 . 4 . ]" 2
2 1 12 HIS N 1 86 ILE O . . 3.000 2.738 2.691 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
3 1 12 HIS O 1 86 ILE H . . 2.000 1.907 1.796 2.002 0.002 37 0 "[ . 1 . 2 . 3 . 4 . ]" 2
4 1 12 HIS O 1 86 ILE N . . 3.000 2.826 2.695 2.971 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
5 1 16 SER H 1 81 GLU O . . 2.000 1.945 1.834 2.011 0.011 15 0 "[ . 1 . 2 . 3 . 4 . ]" 2
6 1 16 SER N 1 81 GLU O . . 3.000 2.703 2.687 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
7 1 20 GLY H 1 77 VAL O . . 2.000 2.008 2.001 2.025 0.025 28 0 "[ . 1 . 2 . 3 . 4 . ]" 2
8 1 20 GLY N 1 77 VAL O . . 3.000 2.980 2.921 3.003 0.003 14 0 "[ . 1 . 2 . 3 . 4 . ]" 2
9 1 20 GLY O 1 77 VAL H . . 2.000 1.830 1.788 1.906 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
10 1 20 GLY O 1 77 VAL N . . 3.000 2.757 2.693 2.838 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
11 1 21 THR H 1 50 GLU O . . 2.000 1.953 1.790 2.015 0.015 43 0 "[ . 1 . 2 . 3 . 4 . ]" 2
12 1 21 THR N 1 50 GLU O . . 3.000 2.838 2.685 2.941 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
13 1 21 THR O 1 50 GLU H . . 2.000 1.969 1.779 2.015 0.015 29 0 "[ . 1 . 2 . 3 . 4 . ]" 2
14 1 21 THR O 1 50 GLU N . . 3.000 2.805 2.698 2.898 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
15 1 22 PHE H 1 75 GLN O . . 2.000 1.995 1.807 2.045 0.045 13 0 "[ . 1 . 2 . 3 . 4 . ]" 2
16 1 22 PHE N 1 75 GLN O . . 3.000 2.868 2.702 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
17 1 23 TYR H 1 48 ILE O . . 2.000 1.834 1.784 2.002 0.002 28 0 "[ . 1 . 2 . 3 . 4 . ]" 2
18 1 23 TYR N 1 48 ILE O . . 3.000 2.791 2.695 2.974 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
19 1 23 TYR O 1 48 ILE H . . 2.000 1.980 1.798 2.016 0.016 15 0 "[ . 1 . 2 . 3 . 4 . ]" 2
20 1 23 TYR O 1 48 ILE N . . 3.000 2.917 2.779 3.003 0.003 29 0 "[ . 1 . 2 . 3 . 4 . ]" 2
21 1 24 ARG O 1 33 PHE H . . 2.000 1.996 1.794 2.014 0.014 38 0 "[ . 1 . 2 . 3 . 4 . ]" 2
22 1 24 ARG O 1 33 PHE N . . 3.000 2.964 2.737 3.002 0.002 3 0 "[ . 1 . 2 . 3 . 4 . ]" 2
23 1 40 VAL H 1 64 GLY O . . 2.000 1.983 1.871 2.004 0.004 5 0 "[ . 1 . 2 . 3 . 4 . ]" 2
24 1 40 VAL N 1 64 GLY O . . 3.000 2.875 2.728 3.000 0.000 17 0 "[ . 1 . 2 . 3 . 4 . ]" 2
25 1 40 VAL O 1 64 GLY H . . 2.000 2.002 1.989 2.008 0.008 19 0 "[ . 1 . 2 . 3 . 4 . ]" 2
26 1 40 VAL O 1 64 GLY N . . 3.000 2.858 2.803 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
27 1 47 CYS O 1 58 ILE H . . 2.000 1.836 1.789 2.004 0.004 42 0 "[ . 1 . 2 . 3 . 4 . ]" 2
28 1 47 CYS O 1 58 ILE N . . 3.000 2.792 2.695 3.002 0.002 46 0 "[ . 1 . 2 . 3 . 4 . ]" 2
29 1 49 VAL H 1 56 ASN O . . 2.000 1.840 1.787 1.979 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
30 1 49 VAL N 1 56 ASN O . . 3.000 2.721 2.696 2.792 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
31 1 49 VAL O 1 56 ASN H . . 2.000 1.954 1.799 2.003 0.003 16 0 "[ . 1 . 2 . 3 . 4 . ]" 2
32 1 49 VAL O 1 56 ASN N . . 3.000 2.766 2.696 2.939 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
33 1 51 ALA H 1 54 MET O . . 2.000 1.941 1.798 2.002 0.002 20 0 "[ . 1 . 2 . 3 . 4 . ]" 2
34 1 51 ALA N 1 54 MET O . . 3.000 2.911 2.739 3.001 0.001 35 0 "[ . 1 . 2 . 3 . 4 . ]" 2
35 1 51 ALA O 1 54 MET H . . 2.000 1.996 1.917 2.009 0.009 48 0 "[ . 1 . 2 . 3 . 4 . ]" 2
36 1 51 ALA O 1 54 MET N . . 3.000 2.734 2.685 2.934 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
37 1 44 ASP O 1 60 ALA H . . 2.000 1.842 1.793 2.036 0.036 40 0 "[ . 1 . 2 . 3 . 4 . ]" 2
38 1 44 ASP O 1 60 ALA N . . 3.000 2.789 2.655 2.975 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
39 1 68 ALA H 1 85 VAL O . . 2.000 2.016 2.001 2.040 0.040 6 0 "[ . 1 . 2 . 3 . 4 . ]" 2
40 1 68 ALA N 1 85 VAL O . . 3.000 2.847 2.783 2.942 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
41 1 78 GLU O 1 81 GLU H . . 2.000 2.019 2.001 2.056 0.056 1 0 "[ . 1 . 2 . 3 . 4 . ]" 2
42 1 78 GLU O 1 81 GLU N . . 3.000 2.902 2.820 2.975 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
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