NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
564507 |
2m9x   |
19314 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m9x
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 567
_Distance_constraint_stats_list.Viol_count 339
_Distance_constraint_stats_list.Viol_total 754.177
_Distance_constraint_stats_list.Viol_max 1.427
_Distance_constraint_stats_list.Viol_rms 0.0269
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.1112
_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 11 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.687 0.164 2 0 "[ . 1 . 2]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 MET 3.723 0.341 15 0 "[ . 1 . 2]"
1 19 GLU 1.788 0.329 9 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.178 0.113 12 0 "[ . 1 . 2]"
1 22 LEU 2.543 0.341 15 0 "[ . 1 . 2]"
1 23 ARG 0.105 0.105 19 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PHE 0.672 0.354 4 0 "[ . 1 . 2]"
1 26 THR 0.563 0.354 4 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TYR 4.247 0.300 17 0 "[ . 1 . 2]"
1 30 GLU 2.291 0.300 17 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 SER 0.324 0.235 19 0 "[ . 1 . 2]"
1 34 VAL 2.163 0.235 19 0 "[ . 1 . 2]"
1 35 LEU 1.535 0.173 6 0 "[ . 1 . 2]"
1 36 PRO 0.672 0.110 17 0 "[ . 1 . 2]"
1 37 LEU 0.416 0.214 19 0 "[ . 1 . 2]"
1 41 VAL 0.167 0.167 1 0 "[ . 1 . 2]"
1 42 LEU 0.253 0.097 20 0 "[ . 1 . 2]"
1 43 SER 0.119 0.119 4 0 "[ . 1 . 2]"
1 44 PHE 1.686 0.222 18 0 "[ . 1 . 2]"
1 45 ILE 0.428 0.113 20 0 "[ . 1 . 2]"
1 46 HIS 0.803 0.175 13 0 "[ . 1 . 2]"
1 47 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 1.488 0.222 18 0 "[ . 1 . 2]"
1 49 ILE 4.161 1.427 10 1 "[ . + . 2]"
1 50 ILE 0.198 0.071 11 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 0.075 0.052 2 0 "[ . 1 . 2]"
1 53 ALA 0.213 0.071 6 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 2.111 0.329 9 0 "[ . 1 . 2]"
1 58 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.520 0.188 18 0 "[ . 1 . 2]"
1 60 SER 0.365 0.219 19 0 "[ . 1 . 2]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 1.791 0.389 15 0 "[ . 1 . 2]"
1 65 ILE 1.558 0.306 3 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 THR 0.135 0.090 15 0 "[ . 1 . 2]"
1 68 VAL 0.140 0.096 15 0 "[ . 1 . 2]"
1 69 TYR 0.967 0.224 14 0 "[ . 1 . 2]"
1 70 PHE 0.019 0.015 9 0 "[ . 1 . 2]"
1 71 TYR 0.434 0.096 5 0 "[ . 1 . 2]"
1 72 GLU 0.248 0.096 5 0 "[ . 1 . 2]"
1 73 LEU 0.524 0.115 19 0 "[ . 1 . 2]"
1 74 GLN 0.088 0.088 12 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASN 2.867 0.325 17 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 1.700 0.286 7 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.449 0.138 19 0 "[ . 1 . 2]"
1 81 LEU 4.461 0.305 9 0 "[ . 1 . 2]"
1 82 GLN 1.080 0.204 3 0 "[ . 1 . 2]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ALA 0.468 0.113 20 0 "[ . 1 . 2]"
1 85 TYR 3.616 0.305 9 0 "[ . 1 . 2]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ARG 0.167 0.167 1 0 "[ . 1 . 2]"
1 91 LEU 0.788 0.223 15 0 "[ . 1 . 2]"
1 92 GLU 0.235 0.214 19 0 "[ . 1 . 2]"
1 93 VAL 1.225 0.223 15 0 "[ . 1 . 2]"
1 94 ALA 0.376 0.177 19 0 "[ . 1 . 2]"
1 95 PHE 4.262 1.427 10 1 "[ . + . 2]"
1 96 VAL 0.693 0.320 13 0 "[ . 1 . 2]"
1 97 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLN 0.950 0.247 18 0 "[ . 1 . 2]"
1 99 LEU 0.762 0.320 13 0 "[ . 1 . 2]"
1 100 VAL 0.002 0.002 16 0 "[ . 1 . 2]"
1 101 LYS 2.892 0.395 19 0 "[ . 1 . 2]"
1 102 LYS 0.771 0.395 19 0 "[ . 1 . 2]"
1 103 LEU 0.009 0.009 17 0 "[ . 1 . 2]"
1 104 LEU 0.319 0.157 8 0 "[ . 1 . 2]"
1 105 ILE 0.177 0.157 8 0 "[ . 1 . 2]"
1 106 ILE 0.187 0.113 12 0 "[ . 1 . 2]"
1 107 ILE 0.639 0.167 14 0 "[ . 1 . 2]"
1 108 SER 0.076 0.076 8 0 "[ . 1 . 2]"
1 109 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 ARG 0.064 0.059 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 18 MET H 1 19 GLU H 5.200 . 5.200 2.681 2.470 2.857 . 0 0 "[ . 1 . 2]" 1
2 1 19 GLU H 1 20 GLU H 4.960 . 4.960 2.707 2.542 2.848 . 0 0 "[ . 1 . 2]" 1
3 1 18 MET QB 1 19 GLU H 4.470 . 4.470 2.518 2.156 2.815 . 0 0 "[ . 1 . 2]" 1
4 1 20 GLU H 1 20 GLU QB 3.920 . 3.920 2.383 2.115 2.601 . 0 0 "[ . 1 . 2]" 1
5 1 21 LYS H 1 22 LEU H 4.920 . 4.920 2.626 2.385 2.880 . 0 0 "[ . 1 . 2]" 1
6 1 21 LYS H 1 21 LYS QG 5.060 . 5.060 2.988 2.159 4.119 . 0 0 "[ . 1 . 2]" 1
7 1 23 ARG H 1 24 ASP H 4.790 . 4.790 2.684 2.547 2.907 . 0 0 "[ . 1 . 2]" 1
8 1 23 ARG H 1 23 ARG QG 4.970 . 4.970 2.368 2.136 2.626 . 0 0 "[ . 1 . 2]" 1
9 1 23 ARG H 1 57 LEU MD2 5.040 . 5.040 3.955 2.886 4.961 . 0 0 "[ . 1 . 2]" 1
10 1 23 ARG QB 1 24 ASP H 4.640 . 4.640 2.936 2.251 3.616 . 0 0 "[ . 1 . 2]" 1
11 1 26 THR H 1 26 THR HG1 5.070 . 5.070 2.147 1.828 2.639 . 0 0 "[ . 1 . 2]" 1
12 1 26 THR H 1 27 ARG H 4.820 . 4.820 2.612 2.397 2.874 . 0 0 "[ . 1 . 2]" 1
13 1 28 ALA H 1 29 TYR H 4.550 . 4.550 2.691 2.500 2.838 . 0 0 "[ . 1 . 2]" 1
14 1 27 ARG QB 1 28 ALA H 4.860 . 4.860 2.968 2.435 3.710 . 0 0 "[ . 1 . 2]" 1
15 1 29 TYR H 1 30 GLU H 4.920 . 4.920 3.995 2.138 4.456 . 0 0 "[ . 1 . 2]" 1
16 1 32 ASP H 1 33 SER H 5.290 . 5.290 2.983 2.369 4.458 . 0 0 "[ . 1 . 2]" 1
17 1 33 SER H 1 34 VAL H 4.850 . 4.850 3.611 1.923 4.653 . 0 0 "[ . 1 . 2]" 1
18 1 34 VAL HB 1 35 LEU H 4.340 . 4.340 3.297 1.478 4.451 0.111 15 0 "[ . 1 . 2]" 1
19 1 41 VAL H 1 41 VAL MG1 4.760 . 4.760 2.739 1.762 3.859 . 0 0 "[ . 1 . 2]" 1
20 1 41 VAL H 1 42 LEU H 4.810 . 4.810 2.818 2.480 3.226 . 0 0 "[ . 1 . 2]" 1
21 1 48 GLN H 1 49 ILE H 4.870 . 4.870 2.722 2.547 2.972 . 0 0 "[ . 1 . 2]" 1
22 1 47 HIS H 1 48 GLN H 4.690 . 4.690 2.822 2.680 3.066 . 0 0 "[ . 1 . 2]" 1
23 1 41 VAL HB 1 42 LEU H 4.410 . 4.410 3.360 2.279 4.080 . 0 0 "[ . 1 . 2]" 1
24 1 42 LEU H 1 42 LEU HG 4.710 . 4.710 3.024 2.108 4.254 . 0 0 "[ . 1 . 2]" 1
25 1 41 VAL MG1 1 42 LEU H 5.780 . 5.780 3.343 1.880 4.127 . 0 0 "[ . 1 . 2]" 1
26 1 42 LEU H 1 42 LEU MD2 5.780 . 5.780 2.976 1.930 3.888 . 0 0 "[ . 1 . 2]" 1
27 1 45 ILE MG 1 48 GLN H 5.680 . 5.680 4.663 4.404 5.139 . 0 0 "[ . 1 . 2]" 1
28 1 42 LEU H 1 45 ILE MD 5.780 . 5.780 4.413 3.643 5.717 . 0 0 "[ . 1 . 2]" 1
29 1 43 SER H 1 44 PHE H 5.180 . 5.180 2.647 2.479 2.818 . 0 0 "[ . 1 . 2]" 1
30 1 46 HIS H 1 47 HIS H 5.170 . 5.170 2.773 2.522 2.932 . 0 0 "[ . 1 . 2]" 1
31 1 45 ILE MG 1 46 HIS H 4.800 . 4.800 3.402 3.035 4.015 . 0 0 "[ . 1 . 2]" 1
32 1 47 HIS QB 1 48 GLN H 5.130 . 5.130 2.523 2.286 2.838 . 0 0 "[ . 1 . 2]" 1
33 1 48 GLN QB 1 48 GLN HE22 4.920 . 4.920 3.764 3.318 4.198 . 0 0 "[ . 1 . 2]" 1
34 1 49 ILE H 1 50 ILE H 5.110 . 5.110 2.813 2.641 3.042 . 0 0 "[ . 1 . 2]" 1
35 1 48 GLN QB 1 49 ILE H 4.810 . 4.810 2.626 2.264 2.980 . 0 0 "[ . 1 . 2]" 1
36 1 49 ILE MG 1 50 ILE H 5.210 . 5.210 3.077 2.850 3.389 . 0 0 "[ . 1 . 2]" 1
37 1 51 GLU H 1 52 LEU H 4.840 . 4.840 2.664 2.329 2.955 . 0 0 "[ . 1 . 2]" 1
38 1 50 ILE H 1 51 GLU H 4.790 . 4.790 2.609 2.408 2.784 . 0 0 "[ . 1 . 2]" 1
39 1 50 ILE HB 1 51 GLU H 4.360 . 4.360 2.844 2.570 3.187 . 0 0 "[ . 1 . 2]" 1
40 1 52 LEU H 1 52 LEU HG 4.730 . 4.730 2.578 2.373 2.943 . 0 0 "[ . 1 . 2]" 1
41 1 52 LEU H 1 52 LEU MD1 4.910 . 4.910 3.763 3.231 4.120 . 0 0 "[ . 1 . 2]" 1
42 1 53 ALA H 1 54 ARG H 4.680 . 4.680 2.763 2.592 2.934 . 0 0 "[ . 1 . 2]" 1
43 1 52 LEU H 1 53 ALA H 4.730 . 4.730 2.550 2.393 2.662 . 0 0 "[ . 1 . 2]" 1
44 1 52 LEU MD1 1 53 ALA H 5.610 . 5.610 4.894 4.525 5.215 . 0 0 "[ . 1 . 2]" 1
45 1 53 ALA H 1 103 LEU MD2 5.780 . 5.780 3.748 3.144 5.230 . 0 0 "[ . 1 . 2]" 1
46 1 53 ALA MB 1 54 ARG H 4.630 . 4.630 2.350 2.239 2.495 . 0 0 "[ . 1 . 2]" 1
47 1 52 LEU HA 1 55 ASP H 5.090 . 5.090 3.169 2.747 3.886 . 0 0 "[ . 1 . 2]" 1
48 1 54 ARG QB 1 55 ASP H 4.910 . 4.910 2.696 2.336 2.981 . 0 0 "[ . 1 . 2]" 1
49 1 55 ASP H 1 56 CYS H 4.700 . 4.700 2.673 2.463 2.922 . 0 0 "[ . 1 . 2]" 1
50 1 56 CYS H 1 57 LEU H 5.040 . 5.040 2.677 2.565 2.768 . 0 0 "[ . 1 . 2]" 1
51 1 55 ASP QB 1 56 CYS H 4.690 . 4.690 2.456 2.143 2.639 . 0 0 "[ . 1 . 2]" 1
52 1 57 LEU H 1 58 THR H 4.730 . 4.730 2.754 2.596 2.869 . 0 0 "[ . 1 . 2]" 1
53 1 57 LEU H 1 57 LEU MD2 4.820 . 4.820 4.252 3.814 4.389 . 0 0 "[ . 1 . 2]" 1
54 1 58 THR H 1 59 LYS H 4.750 . 4.750 2.644 2.292 2.836 . 0 0 "[ . 1 . 2]" 1
55 1 58 THR H 1 58 THR HB 4.380 . 4.380 2.924 2.315 3.724 . 0 0 "[ . 1 . 2]" 1
56 1 57 LEU HB3 1 58 THR H 5.620 . 5.620 2.457 2.141 2.839 . 0 0 "[ . 1 . 2]" 1
57 1 57 LEU HB2 1 58 THR H 5.620 . 5.620 3.774 3.384 4.071 . 0 0 "[ . 1 . 2]" 1
58 1 57 LEU HG 1 58 THR H 5.780 . 5.780 3.850 3.346 4.520 . 0 0 "[ . 1 . 2]" 1
59 1 59 LYS H 1 60 SER H 4.500 . 4.500 2.541 2.380 2.699 . 0 0 "[ . 1 . 2]" 1
60 1 58 THR HB 1 59 LYS H 4.850 . 4.850 3.127 2.274 3.971 . 0 0 "[ . 1 . 2]" 1
61 1 58 THR MG 1 59 LYS H 4.820 . 4.820 3.761 3.123 4.195 . 0 0 "[ . 1 . 2]" 1
62 1 59 LYS H 1 59 LYS HG2 5.570 . 5.570 3.551 2.122 4.657 . 0 0 "[ . 1 . 2]" 1
63 1 59 LYS H 1 59 LYS HG3 5.570 . 5.570 3.316 2.257 4.516 . 0 0 "[ . 1 . 2]" 1
64 1 73 LEU MD1 1 77 LEU H 5.030 . 5.030 4.082 3.655 4.456 . 0 0 "[ . 1 . 2]" 1
65 1 60 SER H 1 60 SER HG 5.480 . 5.480 3.480 2.173 4.471 . 0 0 "[ . 1 . 2]" 1
66 1 61 ARG H 1 62 ASP H 4.610 . 4.610 2.738 2.369 3.983 . 0 0 "[ . 1 . 2]" 1
67 1 61 ARG QB 1 62 ASP H 4.940 . 4.940 3.090 2.363 4.066 . 0 0 "[ . 1 . 2]" 1
68 1 63 GLY H 1 64 LEU H 4.420 . 4.420 2.427 1.885 2.969 . 0 0 "[ . 1 . 2]" 1
69 1 64 LEU H 1 64 LEU HG 5.500 . 5.500 4.179 2.833 4.765 . 0 0 "[ . 1 . 2]" 1
70 1 64 LEU H 1 65 ILE H 4.460 . 4.460 2.646 2.059 3.195 . 0 0 "[ . 1 . 2]" 1
71 1 65 ILE H 1 65 ILE HB 4.390 . 4.390 2.795 2.449 3.597 . 0 0 "[ . 1 . 2]" 1
72 1 65 ILE H 1 65 ILE HG12 4.850 . 4.850 3.477 3.025 4.524 . 0 0 "[ . 1 . 2]" 1
73 1 65 ILE H 1 65 ILE HG13 4.850 . 4.850 2.583 1.768 4.716 . 0 0 "[ . 1 . 2]" 1
74 1 108 SER H 1 109 ARG H 5.160 . 5.160 4.187 2.931 4.663 . 0 0 "[ . 1 . 2]" 1
75 1 107 ILE H 1 108 SER H 4.470 . 4.470 2.755 2.359 4.546 0.076 8 0 "[ . 1 . 2]" 1
76 1 67 THR HB 1 68 VAL H 4.980 . 4.980 3.332 2.456 4.186 . 0 0 "[ . 1 . 2]" 1
77 1 68 VAL H 1 69 TYR H 4.890 . 4.890 2.733 2.600 3.062 . 0 0 "[ . 1 . 2]" 1
78 1 71 TYR H 1 72 GLU H 4.670 . 4.670 2.568 2.375 2.827 . 0 0 "[ . 1 . 2]" 1
79 1 71 TYR QB 1 72 GLU H 4.880 . 4.880 2.567 2.305 2.868 . 0 0 "[ . 1 . 2]" 1
80 1 73 LEU H 1 74 GLN H 4.580 . 4.580 2.720 2.442 2.858 . 0 0 "[ . 1 . 2]" 1
81 1 72 GLU HB2 1 73 LEU H 5.510 . 5.510 3.232 2.285 4.063 . 0 0 "[ . 1 . 2]" 1
82 1 75 GLU H 1 76 ASN H 4.380 . 4.380 2.686 2.474 2.840 . 0 0 "[ . 1 . 2]" 1
83 1 74 GLN H 1 75 GLU H 4.560 . 4.560 2.792 2.578 2.964 . 0 0 "[ . 1 . 2]" 1
84 1 75 GLU H 1 75 GLU QB 3.890 . 3.890 2.358 2.154 2.537 . 0 0 "[ . 1 . 2]" 1
85 1 52 LEU MD1 1 76 ASN HD21 5.650 . 5.650 2.574 1.816 3.186 . 0 0 "[ . 1 . 2]" 1
86 1 76 ASN H 1 77 LEU H 4.770 . 4.770 2.683 2.525 2.824 . 0 0 "[ . 1 . 2]" 1
87 1 73 LEU HA 1 76 ASN H 5.050 . 5.050 3.729 3.277 4.005 . 0 0 "[ . 1 . 2]" 1
88 1 72 GLU HA 1 76 ASN H 5.500 . 5.500 3.966 3.713 4.283 . 0 0 "[ . 1 . 2]" 1
89 1 75 GLU QB 1 76 ASN H 4.330 . 4.330 2.649 2.238 3.008 . 0 0 "[ . 1 . 2]" 1
90 1 52 LEU MD1 1 76 ASN HD22 5.650 . 5.650 2.316 1.882 2.861 . 0 0 "[ . 1 . 2]" 1
91 1 77 LEU H 1 77 LEU MD1 5.110 . 5.110 3.651 2.172 3.894 . 0 0 "[ . 1 . 2]" 1
92 1 77 LEU H 1 78 GLU H 4.890 . 4.890 2.707 2.445 2.968 . 0 0 "[ . 1 . 2]" 1
93 1 78 GLU H 1 79 LYS H 4.640 . 4.640 2.577 2.399 2.894 . 0 0 "[ . 1 . 2]" 1
94 1 80 LEU H 1 80 LEU HG 4.900 . 4.900 2.375 2.154 2.680 . 0 0 "[ . 1 . 2]" 1
95 1 80 LEU H 1 80 LEU MD2 5.000 . 5.000 3.368 3.076 3.677 . 0 0 "[ . 1 . 2]" 1
96 1 80 LEU H 1 81 LEU H 4.770 . 4.770 2.547 2.402 2.663 . 0 0 "[ . 1 . 2]" 1
97 1 81 LEU H 1 81 LEU MD2 4.990 . 4.990 4.110 3.301 4.380 . 0 0 "[ . 1 . 2]" 1
98 1 81 LEU H 1 82 GLN H 4.940 . 4.940 2.657 2.429 2.877 . 0 0 "[ . 1 . 2]" 1
99 1 81 LEU HB2 1 82 GLN H 5.030 . 5.030 3.905 3.678 4.240 . 0 0 "[ . 1 . 2]" 1
100 1 81 LEU HB3 1 82 GLN H 5.030 . 5.030 2.609 2.279 3.227 . 0 0 "[ . 1 . 2]" 1
101 1 81 LEU MD2 1 82 GLN H 5.130 . 5.130 3.479 2.240 4.396 . 0 0 "[ . 1 . 2]" 1
102 1 82 GLN H 1 83 ASP H 4.670 . 4.670 2.641 2.517 2.827 . 0 0 "[ . 1 . 2]" 1
103 1 84 ALA H 1 85 TYR H 4.810 . 4.810 2.641 2.465 2.881 . 0 0 "[ . 1 . 2]" 1
104 1 45 ILE MD 1 84 ALA H 4.620 . 4.620 3.266 2.615 4.066 . 0 0 "[ . 1 . 2]" 1
105 1 85 TYR H 1 86 GLU H 5.080 . 5.080 2.677 2.451 2.861 . 0 0 "[ . 1 . 2]" 1
106 1 99 LEU H 1 100 VAL H 4.640 . 4.640 2.774 2.634 3.003 . 0 0 "[ . 1 . 2]" 1
107 1 108 SER QB 1 109 ARG H 5.290 . 5.290 3.098 1.872 4.068 . 0 0 "[ . 1 . 2]" 1
108 1 97 THR H 1 98 GLN H 4.820 . 4.820 2.739 2.567 2.928 . 0 0 "[ . 1 . 2]" 1
109 1 98 GLN H 1 99 LEU H 4.610 . 4.610 2.729 2.563 2.918 . 0 0 "[ . 1 . 2]" 1
110 1 97 THR HB 1 98 GLN H 4.730 . 4.730 2.757 2.038 3.915 . 0 0 "[ . 1 . 2]" 1
111 1 99 LEU H 1 99 LEU HG 5.100 . 5.100 3.801 2.434 4.609 . 0 0 "[ . 1 . 2]" 1
112 1 100 VAL H 1 101 LYS H 4.810 . 4.810 2.727 2.621 2.841 . 0 0 "[ . 1 . 2]" 1
113 1 101 LYS H 1 102 LYS H 4.910 . 4.910 2.701 2.601 2.857 . 0 0 "[ . 1 . 2]" 1
114 1 100 VAL HB 1 101 LYS H 5.060 . 5.060 2.949 2.393 4.146 . 0 0 "[ . 1 . 2]" 1
115 1 101 LYS H 1 101 LYS QD 5.730 . 5.730 3.896 2.085 4.806 . 0 0 "[ . 1 . 2]" 1
116 1 103 LEU H 1 104 LEU H 4.900 . 4.900 2.654 2.559 2.788 . 0 0 "[ . 1 . 2]" 1
117 1 102 LYS H 1 103 LEU H 5.180 . 5.180 2.680 2.529 2.858 . 0 0 "[ . 1 . 2]" 1
118 1 104 LEU H 1 105 ILE H 4.900 . 4.900 2.734 2.507 2.890 . 0 0 "[ . 1 . 2]" 1
119 1 104 LEU H 1 104 LEU MD2 4.890 . 4.890 4.212 3.584 4.401 . 0 0 "[ . 1 . 2]" 1
120 1 105 ILE H 1 105 ILE HG12 5.380 . 5.380 3.577 2.136 3.814 . 0 0 "[ . 1 . 2]" 1
121 1 105 ILE HB 1 106 ILE H 4.830 . 4.830 2.999 2.618 4.105 . 0 0 "[ . 1 . 2]" 1
122 1 107 ILE H 1 107 ILE HG12 5.250 . 5.250 2.829 2.029 3.667 . 0 0 "[ . 1 . 2]" 1
123 1 106 ILE MG 1 107 ILE H 5.390 . 5.390 3.128 2.806 3.492 . 0 0 "[ . 1 . 2]" 1
124 1 111 ALA HA 1 112 ARG H 3.620 . 3.620 2.574 2.013 3.547 . 0 0 "[ . 1 . 2]" 1
125 1 112 ARG H 1 112 ARG QG 4.350 . 4.350 3.496 2.100 4.409 0.059 14 0 "[ . 1 . 2]" 1
126 1 66 THR H 1 69 TYR HB3 5.520 . 5.520 4.271 3.019 5.336 . 0 0 "[ . 1 . 2]" 1
127 1 66 THR H 1 69 TYR HB2 5.520 . 5.520 3.707 2.167 4.417 . 0 0 "[ . 1 . 2]" 1
128 1 66 THR H 1 69 TYR H 5.430 . 5.430 4.357 3.450 5.006 . 0 0 "[ . 1 . 2]" 1
129 1 69 TYR QD 1 70 PHE H 5.420 . 5.420 4.054 3.260 4.661 . 0 0 "[ . 1 . 2]" 1
130 1 99 LEU H 1 99 LEU MD1 5.300 . 5.300 3.742 2.356 4.368 . 0 0 "[ . 1 . 2]" 1
131 1 97 THR MG 1 99 LEU H 5.780 . 5.780 5.210 4.705 5.542 . 0 0 "[ . 1 . 2]" 1
132 1 16 ALA H 1 17 GLN H 5.780 . 5.780 2.800 2.550 3.086 . 0 0 "[ . 1 . 2]" 1
133 1 17 GLN H 1 18 MET H 5.780 . 5.780 2.632 2.412 2.916 . 0 0 "[ . 1 . 2]" 1
134 1 22 LEU H 1 23 ARG H 4.960 . 4.960 2.645 2.454 2.859 . 0 0 "[ . 1 . 2]" 1
135 1 26 THR MG 1 27 ARG H 5.380 . 5.380 3.815 3.181 4.315 . 0 0 "[ . 1 . 2]" 1
136 1 44 PHE QD 1 48 GLN HE22 5.350 . 5.350 5.268 4.691 5.572 0.222 18 0 "[ . 1 . 2]" 1
137 1 44 PHE QD 1 48 GLN HE21 5.350 . 5.350 4.974 3.490 5.423 0.073 8 0 "[ . 1 . 2]" 1
138 1 49 ILE H 1 80 LEU MD1 5.220 . 5.220 4.068 2.927 4.810 . 0 0 "[ . 1 . 2]" 1
139 1 54 ARG H 1 55 ASP H 4.820 . 4.820 2.654 2.493 2.802 . 0 0 "[ . 1 . 2]" 1
140 1 57 LEU MD1 1 58 THR H 5.430 . 5.430 4.423 3.430 4.700 . 0 0 "[ . 1 . 2]" 1
141 1 57 LEU MD2 1 58 THR H 5.380 . 5.380 4.206 3.042 4.743 . 0 0 "[ . 1 . 2]" 1
142 1 77 LEU H 1 77 LEU HG 5.260 . 5.260 2.707 2.340 4.086 . 0 0 "[ . 1 . 2]" 1
143 1 60 SER H 1 61 ARG H 4.830 . 4.830 2.575 2.368 2.812 . 0 0 "[ . 1 . 2]" 1
144 1 62 ASP H 1 63 GLY H 4.690 . 4.690 2.462 1.784 4.357 . 0 0 "[ . 1 . 2]" 1
145 1 63 GLY H 1 65 ILE H 5.290 . 5.290 4.249 3.629 5.087 . 0 0 "[ . 1 . 2]" 1
146 1 69 TYR H 1 70 PHE H 5.150 . 5.150 2.815 2.691 3.154 . 0 0 "[ . 1 . 2]" 1
147 1 76 ASN H 1 76 ASN HD21 5.480 . 5.480 4.289 2.665 4.989 . 0 0 "[ . 1 . 2]" 1
148 1 76 ASN H 1 76 ASN HD22 5.480 . 5.480 5.378 3.673 5.805 0.325 17 0 "[ . 1 . 2]" 1
149 1 83 ASP H 1 84 ALA H 4.780 . 4.780 2.641 2.486 2.808 . 0 0 "[ . 1 . 2]" 1
150 1 86 GLU H 1 87 ARG H 5.570 . 5.570 3.561 2.391 4.620 . 0 0 "[ . 1 . 2]" 1
151 1 97 THR HA 1 100 VAL H 5.780 . 5.780 3.787 3.239 4.347 . 0 0 "[ . 1 . 2]" 1
152 1 96 VAL HA 1 99 LEU H 5.460 . 5.460 3.754 3.321 4.063 . 0 0 "[ . 1 . 2]" 1
153 1 103 LEU MD2 1 104 LEU H 5.780 . 5.780 4.638 4.290 4.958 . 0 0 "[ . 1 . 2]" 1
154 1 101 LYS HA 1 105 ILE H 5.780 . 5.780 4.176 3.542 4.343 . 0 0 "[ . 1 . 2]" 1
155 1 18 MET ME 1 22 LEU H 5.400 . 5.400 5.463 4.963 5.741 0.341 15 0 "[ . 1 . 2]" 1
156 1 99 LEU HB3 1 100 VAL H 5.590 . 5.590 3.183 2.354 3.634 . 0 0 "[ . 1 . 2]" 1
157 1 99 LEU HB2 1 100 VAL H 5.590 . 5.590 2.794 2.332 3.329 . 0 0 "[ . 1 . 2]" 1
158 1 29 TYR H 1 29 TYR QD 5.200 . 5.200 2.812 2.315 3.176 . 0 0 "[ . 1 . 2]" 1
159 1 45 ILE H 1 46 HIS H 5.630 . 5.630 2.723 2.560 3.049 . 0 0 "[ . 1 . 2]" 1
160 1 46 HIS H 1 49 ILE H 5.420 . 5.420 4.753 4.596 4.968 . 0 0 "[ . 1 . 2]" 1
161 1 22 LEU H 1 23 ARG QG 5.530 . 5.530 4.310 3.947 4.688 . 0 0 "[ . 1 . 2]" 1
162 1 87 ARG H 1 87 ARG QD 5.340 . 5.340 4.606 2.826 5.300 . 0 0 "[ . 1 . 2]" 1
163 1 54 ARG HA 1 58 THR H 5.780 . 5.780 4.068 3.812 4.389 . 0 0 "[ . 1 . 2]" 1
164 1 30 GLU H 1 46 HIS HE1 5.390 . 5.390 4.904 4.115 5.505 0.115 15 0 "[ . 1 . 2]" 1
165 1 30 GLU H 1 50 ILE MD 5.780 . 5.780 4.449 2.254 5.520 . 0 0 "[ . 1 . 2]" 1
166 1 82 GLN H 1 82 GLN QG 4.140 . 4.140 3.325 2.223 4.121 . 0 0 "[ . 1 . 2]" 1
167 1 18 MET ME 1 19 GLU HA 4.690 . 4.690 3.473 2.975 4.113 . 0 0 "[ . 1 . 2]" 1
168 1 18 MET ME 1 60 SER HG 5.050 . 5.050 3.022 2.279 4.551 . 0 0 "[ . 1 . 2]" 1
169 1 14 ALA MB 1 18 MET ME 4.390 . 4.390 4.258 3.034 4.554 0.164 2 0 "[ . 1 . 2]" 1
170 1 72 GLU H 1 72 GLU HG2 5.040 . 5.040 3.644 2.093 4.658 . 0 0 "[ . 1 . 2]" 1
171 1 78 GLU H 1 78 GLU HG3 4.890 . 4.890 3.527 2.294 4.587 . 0 0 "[ . 1 . 2]" 1
172 1 72 GLU HB3 1 73 LEU H 5.510 . 5.510 3.104 2.286 3.965 . 0 0 "[ . 1 . 2]" 1
173 1 20 GLU H 1 20 GLU HG2 4.740 . 4.740 3.576 2.234 4.662 . 0 0 "[ . 1 . 2]" 1
174 1 86 GLU HA 1 86 GLU HG3 4.350 . 4.350 3.370 2.449 3.812 . 0 0 "[ . 1 . 2]" 1
175 1 79 LYS HG3 1 80 LEU H 5.740 . 5.740 4.381 3.076 5.080 . 0 0 "[ . 1 . 2]" 1
176 1 35 LEU H 1 35 LEU HG 4.640 . 4.640 3.609 2.805 4.758 0.118 1 0 "[ . 1 . 2]" 1
177 1 42 LEU HA 1 45 ILE MD 4.340 . 4.340 2.767 1.919 4.437 0.097 20 0 "[ . 1 . 2]" 1
178 1 26 THR H 1 26 THR MG 4.410 . 4.410 3.717 2.417 3.829 . 0 0 "[ . 1 . 2]" 1
179 1 25 PHE QD 1 26 THR MG 4.890 . 4.890 3.844 1.855 4.608 . 0 0 "[ . 1 . 2]" 1
180 1 26 THR MG 1 54 ARG QB 5.780 . 5.780 3.927 3.438 5.093 . 0 0 "[ . 1 . 2]" 1
181 1 27 ARG H 1 27 ARG HG2 5.160 . 5.160 3.969 2.601 4.726 . 0 0 "[ . 1 . 2]" 1
182 1 28 ALA MB 1 29 TYR H 4.600 . 4.600 2.874 2.377 3.202 . 0 0 "[ . 1 . 2]" 1
183 1 25 PHE HA 1 28 ALA MB 4.850 . 4.850 4.014 3.397 4.638 . 0 0 "[ . 1 . 2]" 1
184 1 82 GLN QB 1 83 ASP H 4.800 . 4.800 2.747 2.560 3.121 . 0 0 "[ . 1 . 2]" 1
185 1 30 GLU H 1 30 GLU HG2 5.400 . 5.400 3.470 2.107 4.399 . 0 0 "[ . 1 . 2]" 1
186 1 34 VAL MG2 1 35 LEU H 4.840 . 4.840 3.540 2.176 4.358 . 0 0 "[ . 1 . 2]" 1
187 1 34 VAL MG2 1 95 PHE HZ 4.740 . 4.740 3.264 2.200 4.607 . 0 0 "[ . 1 . 2]" 1
188 1 29 TYR HA 1 34 VAL MG2 4.700 . 4.700 3.547 2.688 4.465 . 0 0 "[ . 1 . 2]" 1
189 1 34 VAL MG1 1 35 LEU H 4.370 . 4.370 3.354 2.266 4.452 0.082 15 0 "[ . 1 . 2]" 1
190 1 41 VAL H 1 41 VAL MG2 4.610 . 4.610 2.530 1.945 3.869 . 0 0 "[ . 1 . 2]" 1
191 1 68 VAL H 1 68 VAL MG2 3.940 . 3.940 1.972 1.747 2.271 . 0 0 "[ . 1 . 2]" 1
192 1 35 LEU H 1 35 LEU MD2 4.620 . 4.620 3.758 2.232 4.793 0.173 6 0 "[ . 1 . 2]" 1
193 1 35 LEU HA 1 35 LEU MD2 3.800 . 3.800 2.982 1.950 3.888 0.088 17 0 "[ . 1 . 2]" 1
194 1 35 LEU MD2 1 36 PRO HD2 4.580 . 4.580 3.649 2.660 4.650 0.070 9 0 "[ . 1 . 2]" 1
195 1 101 LYS HA 1 104 LEU MD2 5.110 . 5.110 3.500 2.499 5.068 . 0 0 "[ . 1 . 2]" 1
196 1 35 LEU MD2 1 36 PRO HD3 4.580 . 4.580 4.055 2.600 4.690 0.110 17 0 "[ . 1 . 2]" 1
197 1 35 LEU HA 1 36 PRO HD3 4.260 . 4.260 2.280 1.818 3.249 . 0 0 "[ . 1 . 2]" 1
198 1 35 LEU HA 1 36 PRO QG 5.490 . 5.490 3.997 3.624 4.863 . 0 0 "[ . 1 . 2]" 1
199 1 35 LEU QB 1 36 PRO QG 5.270 . 5.270 4.348 3.039 5.216 . 0 0 "[ . 1 . 2]" 1
200 1 37 LEU MD2 1 92 GLU HG2 5.000 . 5.000 3.978 2.816 5.214 0.214 19 0 "[ . 1 . 2]" 1
201 1 37 LEU H 1 37 LEU HG 5.010 . 5.010 2.743 2.058 3.727 . 0 0 "[ . 1 . 2]" 1
202 1 37 LEU H 1 37 LEU MD1 4.950 . 4.950 3.742 1.750 4.616 . 0 0 "[ . 1 . 2]" 1
203 1 37 LEU MD1 1 95 PHE QD 4.700 . 4.700 2.611 1.760 4.689 . 0 0 "[ . 1 . 2]" 1
204 1 45 ILE H 1 45 ILE MD 5.080 . 5.080 3.401 2.419 3.733 . 0 0 "[ . 1 . 2]" 1
205 1 45 ILE MD 1 80 LEU HA 5.580 . 5.580 3.085 1.970 3.748 . 0 0 "[ . 1 . 2]" 1
206 1 48 GLN H 1 48 GLN HG2 4.800 . 4.800 2.476 1.904 4.612 . 0 0 "[ . 1 . 2]" 1
207 1 44 PHE QD 1 48 GLN HG3 5.120 . 5.120 3.869 3.141 5.293 0.173 14 0 "[ . 1 . 2]" 1
208 1 107 ILE H 1 107 ILE MG 4.460 . 4.460 2.414 2.167 2.675 . 0 0 "[ . 1 . 2]" 1
209 1 46 HIS HA 1 49 ILE MD 4.790 . 4.790 2.570 1.948 3.808 . 0 0 "[ . 1 . 2]" 1
210 1 50 ILE HA 1 50 ILE MD 4.120 . 4.120 2.152 1.970 2.722 . 0 0 "[ . 1 . 2]" 1
211 1 77 LEU H 1 77 LEU MD2 4.920 . 4.920 3.435 2.678 3.768 . 0 0 "[ . 1 . 2]" 1
212 1 50 ILE HA 1 53 ALA MB 4.430 . 4.430 2.447 1.892 2.718 . 0 0 "[ . 1 . 2]" 1
213 1 58 THR H 1 58 THR MG 4.490 . 4.490 3.306 2.227 3.816 . 0 0 "[ . 1 . 2]" 1
214 1 58 THR HA 1 61 ARG QB 5.080 . 5.080 3.082 2.055 4.920 . 0 0 "[ . 1 . 2]" 1
215 1 59 LYS HE2 1 69 TYR QE 5.330 . 5.330 4.245 2.763 5.518 0.188 18 0 "[ . 1 . 2]" 1
216 1 64 LEU H 1 64 LEU MD2 4.800 . 4.800 3.429 1.714 4.403 . 0 0 "[ . 1 . 2]" 1
217 1 107 ILE H 1 107 ILE HG13 5.250 . 5.250 2.699 1.942 3.457 . 0 0 "[ . 1 . 2]" 1
218 1 104 LEU HG 1 107 ILE MD 5.780 . 5.780 4.658 3.935 5.556 . 0 0 "[ . 1 . 2]" 1
219 1 66 THR H 1 66 THR MG 4.510 . 4.510 2.796 1.972 3.957 . 0 0 "[ . 1 . 2]" 1
220 1 73 LEU HA 1 73 LEU MD1 4.110 . 4.110 2.292 1.945 3.111 . 0 0 "[ . 1 . 2]" 1
221 1 75 GLU H 1 75 GLU HG2 4.850 . 4.850 3.754 2.144 4.567 . 0 0 "[ . 1 . 2]" 1
222 1 79 LYS HA 1 79 LYS QE 5.130 . 5.130 4.389 2.118 5.051 . 0 0 "[ . 1 . 2]" 1
223 1 80 LEU H 1 80 LEU MD1 5.000 . 5.000 3.664 3.401 3.814 . 0 0 "[ . 1 . 2]" 1
224 1 48 GLN HA 1 80 LEU MD1 4.710 . 4.710 4.507 4.187 4.769 0.059 18 0 "[ . 1 . 2]" 1
225 1 48 GLN QB 1 80 LEU MD1 4.120 . 4.120 2.181 1.989 2.611 . 0 0 "[ . 1 . 2]" 1
226 1 84 ALA MB 1 85 TYR H 4.860 . 4.860 2.558 2.304 2.887 . 0 0 "[ . 1 . 2]" 1
227 1 45 ILE HB 1 84 ALA MB 5.040 . 5.040 4.297 3.191 5.094 0.054 5 0 "[ . 1 . 2]" 1
228 1 86 GLU H 1 86 GLU HG2 4.910 . 4.910 3.968 2.483 4.729 . 0 0 "[ . 1 . 2]" 1
229 1 86 GLU HA 1 86 GLU HG2 4.350 . 4.350 2.946 2.466 3.815 . 0 0 "[ . 1 . 2]" 1
230 1 86 GLU H 1 86 GLU HG3 4.910 . 4.910 4.064 2.251 4.822 . 0 0 "[ . 1 . 2]" 1
231 1 57 LEU H 1 57 LEU MD1 4.850 . 4.850 4.126 3.964 4.379 . 0 0 "[ . 1 . 2]" 1
232 1 85 TYR HA 1 93 VAL MG2 4.830 . 4.830 3.646 2.580 4.736 . 0 0 "[ . 1 . 2]" 1
233 1 85 TYR QD 1 93 VAL MG1 5.090 . 5.090 2.859 2.058 4.558 . 0 0 "[ . 1 . 2]" 1
234 1 85 TYR HA 1 93 VAL MG1 4.690 . 4.690 2.805 2.026 4.001 . 0 0 "[ . 1 . 2]" 1
235 1 94 ALA MB 1 95 PHE H 4.340 . 4.340 2.454 1.948 2.817 . 0 0 "[ . 1 . 2]" 1
236 1 91 LEU MD2 1 94 ALA MB 4.450 . 4.450 3.117 1.985 4.521 0.071 20 0 "[ . 1 . 2]" 1
237 1 96 VAL H 1 96 VAL MG2 4.790 . 4.790 2.110 1.840 2.690 . 0 0 "[ . 1 . 2]" 1
238 1 97 THR H 1 97 THR MG 4.640 . 4.640 3.433 2.292 3.819 . 0 0 "[ . 1 . 2]" 1
239 1 95 PHE QE 1 99 LEU MD2 5.050 . 5.050 2.906 2.503 3.491 . 0 0 "[ . 1 . 2]" 1
240 1 99 LEU HA 1 99 LEU MD2 4.650 . 4.650 2.578 1.798 3.862 . 0 0 "[ . 1 . 2]" 1
241 1 95 PHE QE 1 99 LEU MD1 4.900 . 4.900 3.287 2.523 4.190 . 0 0 "[ . 1 . 2]" 1
242 1 100 VAL MG1 1 101 LYS H 5.130 . 5.130 3.317 2.254 4.175 . 0 0 "[ . 1 . 2]" 1
243 1 103 LEU HA 1 103 LEU MD1 4.390 . 4.390 2.155 1.979 3.296 . 0 0 "[ . 1 . 2]" 1
244 1 104 LEU HA 1 107 ILE HG12 5.780 . 5.780 2.877 2.034 3.998 . 0 0 "[ . 1 . 2]" 1
245 1 104 LEU HA 1 107 ILE HG13 5.780 . 5.780 2.857 2.053 3.892 . 0 0 "[ . 1 . 2]" 1
246 1 104 LEU HA 1 104 LEU MD2 4.650 . 4.650 3.574 1.948 4.034 . 0 0 "[ . 1 . 2]" 1
247 1 104 LEU HA 1 104 LEU MD1 4.400 . 4.400 2.360 1.943 3.410 . 0 0 "[ . 1 . 2]" 1
248 1 104 LEU MD1 1 107 ILE HG12 5.010 . 5.010 3.942 2.961 5.047 0.037 16 0 "[ . 1 . 2]" 1
249 1 104 LEU MD1 1 107 ILE HG13 5.010 . 5.010 3.529 2.552 5.027 0.017 12 0 "[ . 1 . 2]" 1
250 1 105 ILE H 1 105 ILE MG 4.470 . 4.470 3.721 2.505 3.835 . 0 0 "[ . 1 . 2]" 1
251 1 105 ILE MG 1 106 ILE H 4.870 . 4.870 3.565 3.354 4.300 . 0 0 "[ . 1 . 2]" 1
252 1 105 ILE H 1 105 ILE HG13 5.380 . 5.380 2.415 2.236 3.258 . 0 0 "[ . 1 . 2]" 1
253 1 105 ILE H 1 105 ILE MD 4.570 . 4.570 3.640 3.454 3.847 . 0 0 "[ . 1 . 2]" 1
254 1 102 LYS HA 1 105 ILE MD 4.230 . 4.230 2.753 2.188 3.493 . 0 0 "[ . 1 . 2]" 1
255 1 106 ILE H 1 106 ILE MD 4.940 . 4.940 3.655 3.524 4.177 . 0 0 "[ . 1 . 2]" 1
256 1 65 ILE H 1 65 ILE MG 4.750 . 4.750 3.696 2.112 4.140 . 0 0 "[ . 1 . 2]" 1
257 1 65 ILE MG 1 66 THR H 4.640 . 4.640 3.327 2.665 4.329 . 0 0 "[ . 1 . 2]" 1
258 1 60 SER H 1 65 ILE MD 4.780 . 4.780 3.283 2.895 4.022 . 0 0 "[ . 1 . 2]" 1
259 1 65 ILE MD 1 69 TYR QD 4.270 . 4.270 3.011 2.023 4.158 . 0 0 "[ . 1 . 2]" 1
260 1 110 PRO HA 1 111 ALA MB 4.550 . 4.550 4.127 3.691 4.480 . 0 0 "[ . 1 . 2]" 1
261 1 111 ALA MB 1 112 ARG H 4.360 . 4.360 2.892 1.896 3.708 . 0 0 "[ . 1 . 2]" 1
262 1 112 ARG HA 1 112 ARG QD 4.870 . 4.870 3.490 2.081 4.640 . 0 0 "[ . 1 . 2]" 1
263 1 14 ALA MB 1 15 THR H 4.780 . 4.780 2.684 2.016 3.361 . 0 0 "[ . 1 . 2]" 1
264 1 16 ALA MB 1 17 GLN H 4.800 . 4.800 2.404 2.125 2.836 . 0 0 "[ . 1 . 2]" 1
265 1 15 THR HA 1 18 MET ME 4.430 . 4.430 2.461 1.836 3.115 . 0 0 "[ . 1 . 2]" 1
266 1 18 MET HA 1 18 MET ME 4.630 . 4.630 4.340 4.093 4.452 . 0 0 "[ . 1 . 2]" 1
267 1 18 MET ME 1 19 GLU QB 4.870 . 4.870 3.340 2.443 4.075 . 0 0 "[ . 1 . 2]" 1
268 1 15 THR MG 1 18 MET ME 4.230 . 4.230 3.234 2.162 4.057 . 0 0 "[ . 1 . 2]" 1
269 1 18 MET ME 1 107 ILE MG 3.950 . 3.950 3.473 2.973 4.033 0.083 11 0 "[ . 1 . 2]" 1
270 1 18 MET ME 1 65 ILE MD 3.980 . 3.980 3.340 2.531 4.095 0.115 2 0 "[ . 1 . 2]" 1
271 1 51 GLU H 1 51 GLU HG2 4.870 . 4.870 4.122 2.348 4.663 . 0 0 "[ . 1 . 2]" 1
272 1 20 GLU H 1 20 GLU HG3 4.740 . 4.740 3.101 2.111 4.563 . 0 0 "[ . 1 . 2]" 1
273 1 53 ALA MB 1 54 ARG HA 4.420 . 4.420 3.873 3.724 4.012 . 0 0 "[ . 1 . 2]" 1
274 1 27 ARG HA 1 27 ARG QD 4.990 . 4.990 3.350 1.982 4.277 . 0 0 "[ . 1 . 2]" 1
275 1 23 ARG HA 1 23 ARG QD 4.990 . 4.990 4.228 3.822 4.613 . 0 0 "[ . 1 . 2]" 1
276 1 26 THR MG 1 54 ARG H 5.190 . 5.190 3.608 2.825 4.550 . 0 0 "[ . 1 . 2]" 1
277 1 26 THR MG 1 50 ILE MG 4.140 . 4.140 2.280 1.536 3.567 . 0 0 "[ . 1 . 2]" 1
278 1 26 THR MG 1 50 ILE MD 4.590 . 4.590 2.931 1.926 4.520 . 0 0 "[ . 1 . 2]" 1
279 1 27 ARG H 1 27 ARG HG3 5.160 . 5.160 3.962 1.944 4.591 . 0 0 "[ . 1 . 2]" 1
280 1 28 ALA MB 1 29 TYR QD 5.150 . 5.150 2.989 2.097 3.394 . 0 0 "[ . 1 . 2]" 1
281 1 34 VAL H 1 34 VAL MG2 4.050 . 4.050 2.799 1.964 4.101 0.051 2 0 "[ . 1 . 2]" 1
282 1 29 TYR QE 1 34 VAL MG2 5.630 . 5.630 4.701 3.635 5.638 0.008 11 0 "[ . 1 . 2]" 1
283 1 35 LEU HA 1 36 PRO HD2 4.260 . 4.260 2.839 2.145 4.058 . 0 0 "[ . 1 . 2]" 1
284 1 35 LEU H 1 35 LEU MD1 4.780 . 4.780 3.291 1.738 4.850 0.070 16 0 "[ . 1 . 2]" 1
285 1 35 LEU HA 1 35 LEU MD1 4.620 . 4.620 3.236 2.066 3.988 . 0 0 "[ . 1 . 2]" 1
286 1 68 VAL HB 1 69 TYR H 4.790 . 4.790 2.961 2.605 3.327 . 0 0 "[ . 1 . 2]" 1
287 1 68 VAL H 1 68 VAL HB 4.400 . 4.400 2.614 2.294 2.817 . 0 0 "[ . 1 . 2]" 1
288 1 41 VAL MG1 1 87 ARG QD 4.550 . 4.550 3.514 1.689 4.717 0.167 1 0 "[ . 1 . 2]" 1
289 1 37 LEU H 1 37 LEU MD2 5.000 . 5.000 3.368 2.028 4.646 . 0 0 "[ . 1 . 2]" 1
290 1 37 LEU HA 1 37 LEU MD2 3.830 . 3.830 2.409 1.955 3.712 . 0 0 "[ . 1 . 2]" 1
291 1 37 LEU MD2 1 92 GLU HG3 5.000 . 5.000 3.205 1.856 4.386 . 0 0 "[ . 1 . 2]" 1
292 1 37 LEU MD2 1 96 VAL MG2 4.490 . 4.490 3.601 1.877 4.511 0.021 12 0 "[ . 1 . 2]" 1
293 1 37 LEU MD1 1 43 SER HA 4.480 . 4.480 3.625 2.141 4.599 0.119 4 0 "[ . 1 . 2]" 1
294 1 37 LEU HA 1 37 LEU MD1 4.780 . 4.780 3.859 3.173 4.032 . 0 0 "[ . 1 . 2]" 1
295 1 37 LEU MD1 1 46 HIS HB2 5.310 . 5.310 2.411 1.653 3.245 . 0 0 "[ . 1 . 2]" 1
296 1 37 LEU MD1 1 96 VAL MG2 3.970 . 3.970 2.768 1.807 3.988 0.018 16 0 "[ . 1 . 2]" 1
297 1 42 LEU HA 1 45 ILE MG 5.420 . 5.420 3.976 3.545 4.891 . 0 0 "[ . 1 . 2]" 1
298 1 45 ILE MG 1 80 LEU HA 5.780 . 5.780 3.894 3.234 4.333 . 0 0 "[ . 1 . 2]" 1
299 1 45 ILE MD 1 84 ALA HA 5.080 . 5.080 3.437 2.632 4.651 . 0 0 "[ . 1 . 2]" 1
300 1 45 ILE MD 1 83 ASP HB2 5.050 . 5.050 2.735 2.031 3.859 . 0 0 "[ . 1 . 2]" 1
301 1 45 ILE MD 1 83 ASP HB3 5.050 . 5.050 2.723 2.122 3.669 . 0 0 "[ . 1 . 2]" 1
302 1 47 HIS HA 1 50 ILE HB 5.110 . 5.110 3.544 2.670 4.506 . 0 0 "[ . 1 . 2]" 1
303 1 48 GLN HG2 1 80 LEU MD2 5.700 . 5.700 4.270 2.266 5.566 . 0 0 "[ . 1 . 2]" 1
304 1 48 GLN HG2 1 80 LEU MD1 5.100 . 5.100 3.525 2.502 4.210 . 0 0 "[ . 1 . 2]" 1
305 1 48 GLN H 1 48 GLN HG3 4.800 . 4.800 3.592 2.352 4.529 . 0 0 "[ . 1 . 2]" 1
306 1 48 GLN HG3 1 80 LEU MD2 5.700 . 5.700 3.293 2.311 4.797 . 0 0 "[ . 1 . 2]" 1
307 1 48 GLN HG3 1 80 LEU MD1 5.100 . 5.100 2.566 1.964 3.694 . 0 0 "[ . 1 . 2]" 1
308 1 49 ILE MG 1 95 PHE HZ 4.510 . 4.510 4.669 4.265 5.937 1.427 10 1 "[ . + . 2]" 1
309 1 30 GLU HA 1 50 ILE MG 4.740 . 4.740 2.374 1.517 3.406 . 0 0 "[ . 1 . 2]" 1
310 1 31 PRO HD2 1 50 ILE MG 5.020 . 5.020 3.427 2.507 4.901 . 0 0 "[ . 1 . 2]" 1
311 1 31 PRO HD3 1 50 ILE MG 5.020 . 5.020 2.250 1.704 4.401 . 0 0 "[ . 1 . 2]" 1
312 1 31 PRO QG 1 50 ILE MG 4.710 . 4.710 3.107 2.173 4.022 . 0 0 "[ . 1 . 2]" 1
313 1 50 ILE MD 1 50 ILE MG 3.890 . 3.890 2.171 1.867 3.314 . 0 0 "[ . 1 . 2]" 1
314 1 30 GLU HA 1 50 ILE MD 5.060 . 5.060 3.713 2.203 5.050 . 0 0 "[ . 1 . 2]" 1
315 1 51 GLU H 1 51 GLU HG3 4.870 . 4.870 4.397 3.811 4.660 . 0 0 "[ . 1 . 2]" 1
316 1 77 LEU HA 1 77 LEU MD2 4.050 . 4.050 2.236 1.975 3.869 . 0 0 "[ . 1 . 2]" 1
317 1 74 GLN HA 1 104 LEU MD2 5.780 . 5.780 4.179 2.424 5.471 . 0 0 "[ . 1 . 2]" 1
318 1 104 LEU MD2 1 105 ILE HA 5.780 . 5.780 5.072 4.385 5.937 0.157 8 0 "[ . 1 . 2]" 1
319 1 49 ILE HA 1 52 LEU MD1 4.850 . 4.850 3.998 2.708 4.902 0.052 2 0 "[ . 1 . 2]" 1
320 1 25 PHE QE 1 53 ALA MB 4.750 . 4.750 2.762 2.031 4.174 . 0 0 "[ . 1 . 2]" 1
321 1 50 ILE MG 1 53 ALA MB 4.600 . 4.600 3.483 2.486 3.906 . 0 0 "[ . 1 . 2]" 1
322 1 22 LEU MD2 1 53 ALA MB 4.330 . 4.330 2.225 1.927 2.548 . 0 0 "[ . 1 . 2]" 1
323 1 53 ALA MB 1 103 LEU MD1 4.600 . 4.600 2.870 2.252 3.759 . 0 0 "[ . 1 . 2]" 1
324 1 23 ARG HA 1 57 LEU MD2 4.240 . 4.240 2.923 2.109 4.345 0.105 19 0 "[ . 1 . 2]" 1
325 1 57 LEU HA 1 57 LEU MD2 4.800 . 4.800 3.825 2.163 4.034 . 0 0 "[ . 1 . 2]" 1
326 1 57 LEU MD1 1 60 SER QB 4.910 . 4.910 3.496 2.636 5.129 0.219 19 0 "[ . 1 . 2]" 1
327 1 57 LEU HA 1 57 LEU MD1 3.950 . 3.950 2.240 1.978 3.572 . 0 0 "[ . 1 . 2]" 1
328 1 19 GLU HA 1 57 LEU MD1 4.370 . 4.370 2.817 2.216 4.109 . 0 0 "[ . 1 . 2]" 1
329 1 19 GLU QB 1 57 LEU MD1 4.890 . 4.890 3.556 3.131 4.535 . 0 0 "[ . 1 . 2]" 1
330 1 23 ARG QG 1 57 LEU MD1 5.030 . 5.030 2.957 1.818 4.198 . 0 0 "[ . 1 . 2]" 1
331 1 59 LYS HE3 1 69 TYR QE 5.330 . 5.330 4.479 2.761 5.425 0.095 15 0 "[ . 1 . 2]" 1
332 1 64 LEU HA 1 64 LEU MD2 3.550 . 3.550 3.354 2.696 3.939 0.389 15 0 "[ . 1 . 2]" 1
333 1 64 LEU MD2 1 65 ILE MG 5.160 . 5.160 4.851 3.838 5.466 0.306 3 0 "[ . 1 . 2]" 1
334 1 81 LEU HA 1 81 LEU MD2 4.620 . 4.620 3.920 3.577 4.083 . 0 0 "[ . 1 . 2]" 1
335 1 107 ILE H 1 107 ILE MD 5.120 . 5.120 3.602 3.321 3.791 . 0 0 "[ . 1 . 2]" 1
336 1 70 PHE QE 1 107 ILE MD 5.780 . 5.780 3.983 2.365 4.987 . 0 0 "[ . 1 . 2]" 1
337 1 107 ILE HA 1 107 ILE MD 4.730 . 4.730 4.037 3.776 4.291 . 0 0 "[ . 1 . 2]" 1
338 1 104 LEU HA 1 107 ILE MD 4.820 . 4.820 2.770 2.406 3.495 . 0 0 "[ . 1 . 2]" 1
339 1 74 GLN HA 1 107 ILE MD 4.990 . 4.990 4.081 3.142 4.795 . 0 0 "[ . 1 . 2]" 1
340 1 107 ILE MD 1 107 ILE MG 3.460 . 3.460 2.631 1.955 3.297 . 0 0 "[ . 1 . 2]" 1
341 1 67 THR MG 1 68 VAL H 4.990 . 4.990 3.123 2.190 3.895 . 0 0 "[ . 1 . 2]" 1
342 1 67 THR MG 1 68 VAL MG2 4.340 . 4.340 3.299 2.227 4.380 0.040 14 0 "[ . 1 . 2]" 1
343 1 68 VAL MG2 1 69 TYR H 4.750 . 4.750 3.925 3.700 4.191 . 0 0 "[ . 1 . 2]" 1
344 1 68 VAL MG1 1 69 TYR H 4.800 . 4.800 3.770 3.134 3.995 . 0 0 "[ . 1 . 2]" 1
345 1 68 VAL H 1 68 VAL MG1 4.730 . 4.730 3.802 3.669 3.852 . 0 0 "[ . 1 . 2]" 1
346 1 68 VAL MG1 1 69 TYR HA 5.020 . 5.020 3.647 3.272 3.941 . 0 0 "[ . 1 . 2]" 1
347 1 73 LEU MD1 1 77 LEU HG 4.270 . 4.270 2.681 2.134 3.962 . 0 0 "[ . 1 . 2]" 1
348 1 75 GLU H 1 75 GLU HG3 4.850 . 4.850 2.979 2.189 4.569 . 0 0 "[ . 1 . 2]" 1
349 1 73 LEU HA 1 76 ASN HB3 5.040 . 5.040 3.100 2.295 4.494 . 0 0 "[ . 1 . 2]" 1
350 1 52 LEU MD1 1 76 ASN HB3 5.310 . 5.310 3.516 2.728 4.630 . 0 0 "[ . 1 . 2]" 1
351 1 73 LEU HA 1 76 ASN HB2 5.040 . 5.040 4.118 2.897 5.155 0.115 19 0 "[ . 1 . 2]" 1
352 1 73 LEU MD1 1 76 ASN HB2 5.260 . 5.260 4.967 3.880 5.337 0.077 17 0 "[ . 1 . 2]" 1
353 1 52 LEU MD1 1 76 ASN HB2 5.310 . 5.310 3.861 3.043 4.837 . 0 0 "[ . 1 . 2]" 1
354 1 52 LEU H 1 52 LEU MD2 4.640 . 4.640 3.527 3.208 3.913 . 0 0 "[ . 1 . 2]" 1
355 1 52 LEU HA 1 52 LEU MD2 3.710 . 3.710 2.077 1.892 2.352 . 0 0 "[ . 1 . 2]" 1
356 1 52 LEU MD2 1 55 ASP QB 5.100 . 5.100 2.896 2.248 3.916 . 0 0 "[ . 1 . 2]" 1
357 1 79 LYS HG2 1 80 LEU H 5.740 . 5.740 3.977 3.334 5.064 . 0 0 "[ . 1 . 2]" 1
358 1 79 LYS HA 1 79 LYS HD2 5.230 . 5.230 4.032 2.167 5.142 . 0 0 "[ . 1 . 2]" 1
359 1 79 LYS HA 1 79 LYS HD3 5.230 . 5.230 4.310 2.782 4.827 . 0 0 "[ . 1 . 2]" 1
360 1 100 VAL MG2 1 101 LYS H 5.130 . 5.130 3.540 2.022 4.074 . 0 0 "[ . 1 . 2]" 1
361 1 80 LEU HA 1 80 LEU MD2 3.770 . 3.770 2.094 1.863 2.195 . 0 0 "[ . 1 . 2]" 1
362 1 45 ILE HA 1 80 LEU MD2 4.610 . 4.610 3.231 2.238 4.532 . 0 0 "[ . 1 . 2]" 1
363 1 45 ILE HA 1 80 LEU MD1 5.170 . 5.170 2.661 1.686 3.440 . 0 0 "[ . 1 . 2]" 1
364 1 81 LEU MD1 1 97 THR HA 3.980 . 3.980 2.211 1.767 2.777 . 0 0 "[ . 1 . 2]" 1
365 1 81 LEU MD1 1 100 VAL HB 4.440 . 4.440 3.121 2.261 4.442 0.002 16 0 "[ . 1 . 2]" 1
366 1 82 GLN QB 1 83 ASP HA 5.280 . 5.280 4.144 3.933 4.379 . 0 0 "[ . 1 . 2]" 1
367 1 82 GLN QG 1 83 ASP H 5.050 . 5.050 4.276 3.787 4.851 . 0 0 "[ . 1 . 2]" 1
368 1 45 ILE MD 1 84 ALA MB 3.680 . 3.680 2.705 1.937 3.793 0.113 20 0 "[ . 1 . 2]" 1
369 1 85 TYR H 1 93 VAL MG1 5.540 . 5.540 3.891 3.304 5.008 . 0 0 "[ . 1 . 2]" 1
370 1 93 VAL MG1 1 94 ALA H 5.780 . 5.780 3.828 3.430 4.111 . 0 0 "[ . 1 . 2]" 1
371 1 91 LEU HA 1 94 ALA MB 4.040 . 4.040 3.298 2.012 4.056 0.016 6 0 "[ . 1 . 2]" 1
372 1 93 VAL HA 1 96 VAL MG2 5.050 . 5.050 3.080 2.312 4.105 . 0 0 "[ . 1 . 2]" 1
373 1 96 VAL HA 1 99 LEU MD1 5.190 . 5.190 4.542 1.771 5.510 0.320 13 0 "[ . 1 . 2]" 1
374 1 91 LEU HA 1 91 LEU MD2 3.630 . 3.630 2.724 2.045 3.681 0.051 9 0 "[ . 1 . 2]" 1
375 1 98 GLN HA 1 101 LYS QE 4.880 . 4.880 4.309 2.954 5.090 0.210 3 0 "[ . 1 . 2]" 1
376 1 101 LYS HA 1 101 LYS QD 5.040 . 5.040 3.591 2.228 4.351 . 0 0 "[ . 1 . 2]" 1
377 1 53 ALA MB 1 103 LEU MD2 4.670 . 4.670 2.436 1.976 2.876 . 0 0 "[ . 1 . 2]" 1
378 1 53 ALA HA 1 103 LEU MD1 5.160 . 5.160 3.044 2.193 4.284 . 0 0 "[ . 1 . 2]" 1
379 1 103 LEU MD1 1 107 ILE MG 4.320 . 4.320 2.688 2.236 3.456 . 0 0 "[ . 1 . 2]" 1
380 1 104 LEU H 1 104 LEU MD1 5.090 . 5.090 4.147 2.618 4.437 . 0 0 "[ . 1 . 2]" 1
381 1 102 LYS HA 1 105 ILE MG 5.030 . 5.030 3.967 3.496 4.428 . 0 0 "[ . 1 . 2]" 1
382 1 105 ILE HA 1 105 ILE MD 4.470 . 4.470 3.902 3.827 4.261 . 0 0 "[ . 1 . 2]" 1
383 1 18 MET HG3 1 106 ILE MG 5.100 . 5.100 2.592 2.000 3.796 . 0 0 "[ . 1 . 2]" 1
384 1 22 LEU HG 1 106 ILE MG 5.170 . 5.170 2.985 1.833 3.973 . 0 0 "[ . 1 . 2]" 1
385 1 106 ILE MD 1 106 ILE MG 3.860 . 3.860 2.013 1.614 2.112 . 0 0 "[ . 1 . 2]" 1
386 1 103 LEU HA 1 106 ILE MD 4.530 . 4.530 2.231 1.741 3.499 . 0 0 "[ . 1 . 2]" 1
387 1 25 PHE HB2 1 106 ILE MD 5.240 . 5.240 2.433 1.906 3.087 . 0 0 "[ . 1 . 2]" 1
388 1 25 PHE HB3 1 106 ILE MD 5.240 . 5.240 2.980 2.424 3.541 . 0 0 "[ . 1 . 2]" 1
389 1 65 ILE MG 1 70 PHE QD 5.180 . 5.180 3.362 2.721 4.791 . 0 0 "[ . 1 . 2]" 1
390 1 65 ILE MD 1 70 PHE HZ 5.000 . 5.000 3.022 2.233 4.151 . 0 0 "[ . 1 . 2]" 1
391 1 60 SER QB 1 65 ILE MD 4.640 . 4.640 2.834 1.791 4.297 . 0 0 "[ . 1 . 2]" 1
392 1 60 SER HA 1 65 ILE MD 4.530 . 4.530 2.624 1.548 3.655 . 0 0 "[ . 1 . 2]" 1
393 1 60 SER HG 1 65 ILE MD 4.710 . 4.710 3.245 1.820 4.560 . 0 0 "[ . 1 . 2]" 1
394 1 65 ILE HA 1 65 ILE MD 4.680 . 4.680 3.824 3.685 3.968 . 0 0 "[ . 1 . 2]" 1
395 1 109 ARG HA 1 109 ARG QD 5.100 . 5.100 3.808 1.862 4.637 . 0 0 "[ . 1 . 2]" 1
396 1 18 MET ME 1 107 ILE HA 4.440 . 4.440 4.135 3.492 4.607 0.167 14 0 "[ . 1 . 2]" 1
397 1 18 MET ME 1 19 GLU H 5.010 . 5.010 3.235 2.665 3.662 . 0 0 "[ . 1 . 2]" 1
398 1 18 MET ME 1 70 PHE QE 4.740 . 4.740 3.410 2.234 4.377 . 0 0 "[ . 1 . 2]" 1
399 1 91 LEU HA 1 91 LEU MD1 4.700 . 4.700 3.789 2.819 3.987 . 0 0 "[ . 1 . 2]" 1
400 1 103 LEU MD1 1 106 ILE MD 4.770 . 4.770 2.693 1.820 4.779 0.009 17 0 "[ . 1 . 2]" 1
401 1 25 PHE HA 1 106 ILE MD 5.250 . 5.250 4.350 3.606 5.096 . 0 0 "[ . 1 . 2]" 1
402 1 22 LEU HA 1 106 ILE MD 5.380 . 5.380 2.327 1.759 3.180 . 0 0 "[ . 1 . 2]" 1
403 1 22 LEU H 1 106 ILE MG 5.540 . 5.540 2.992 2.660 3.859 . 0 0 "[ . 1 . 2]" 1
404 1 49 ILE H 1 49 ILE MD 5.320 . 5.320 3.671 3.468 3.845 . 0 0 "[ . 1 . 2]" 1
405 1 93 VAL HB 1 94 ALA MB 5.330 . 5.330 4.674 3.927 5.507 0.177 19 0 "[ . 1 . 2]" 1
406 1 22 LEU MD2 1 103 LEU MD1 4.400 . 4.400 3.131 2.346 4.180 . 0 0 "[ . 1 . 2]" 1
407 1 22 LEU MD2 1 53 ALA HA 4.910 . 4.910 2.842 2.131 3.449 . 0 0 "[ . 1 . 2]" 1
408 1 81 LEU MD2 1 82 GLN QG 4.950 . 4.950 4.091 2.501 5.154 0.204 3 0 "[ . 1 . 2]" 1
409 1 64 LEU H 1 64 LEU MD1 5.250 . 5.250 4.203 3.869 4.541 . 0 0 "[ . 1 . 2]" 1
410 1 37 LEU MD1 1 46 HIS HB3 5.310 . 5.310 3.390 2.362 4.366 . 0 0 "[ . 1 . 2]" 1
411 1 22 LEU H 1 22 LEU MD1 5.780 . 5.780 4.208 4.080 4.333 . 0 0 "[ . 1 . 2]" 1
412 1 37 LEU MD1 1 46 HIS H 5.780 . 5.780 3.746 3.122 4.932 . 0 0 "[ . 1 . 2]" 1
413 1 26 THR MG 1 53 ALA MB 3.710 . 3.710 2.735 2.037 3.736 0.026 7 0 "[ . 1 . 2]" 1
414 1 95 PHE HZ 1 99 LEU MD1 5.500 . 5.500 3.353 2.389 4.487 . 0 0 "[ . 1 . 2]" 1
415 1 95 PHE QD 1 99 LEU MD1 5.320 . 5.320 4.071 3.045 5.069 . 0 0 "[ . 1 . 2]" 1
416 1 95 PHE QD 1 99 LEU MD2 5.400 . 5.400 3.316 2.918 3.957 . 0 0 "[ . 1 . 2]" 1
417 1 29 TYR QD 1 99 LEU MD2 5.410 . 5.410 4.304 3.088 5.205 . 0 0 "[ . 1 . 2]" 1
418 1 99 LEU H 1 99 LEU MD2 5.450 . 5.450 2.960 2.246 4.186 . 0 0 "[ . 1 . 2]" 1
419 1 15 THR H 1 18 MET ME 5.380 . 5.380 4.723 4.203 5.223 . 0 0 "[ . 1 . 2]" 1
420 1 103 LEU MD1 1 106 ILE MG 5.290 . 5.290 3.077 2.520 4.682 . 0 0 "[ . 1 . 2]" 1
421 1 37 LEU MD2 1 95 PHE QE 5.330 . 5.330 4.002 2.239 5.005 . 0 0 "[ . 1 . 2]" 1
422 1 49 ILE MD 1 99 LEU MD1 5.220 . 5.220 3.458 2.278 4.206 . 0 0 "[ . 1 . 2]" 1
423 1 49 ILE MD 1 99 LEU HG 4.760 . 4.760 3.557 2.805 4.890 0.130 15 0 "[ . 1 . 2]" 1
424 1 49 ILE MD 1 99 LEU HB2 5.280 . 5.280 2.572 1.940 4.049 . 0 0 "[ . 1 . 2]" 1
425 1 49 ILE MD 1 99 LEU HB3 5.280 . 5.280 2.408 1.883 3.257 . 0 0 "[ . 1 . 2]" 1
426 1 77 LEU MD2 1 78 GLU H 5.230 . 5.230 4.719 4.460 4.834 . 0 0 "[ . 1 . 2]" 1
427 1 73 LEU H 1 73 LEU MD2 5.260 . 5.260 3.394 2.377 4.360 . 0 0 "[ . 1 . 2]" 1
428 1 70 PHE QD 1 73 LEU MD2 5.550 . 5.550 4.455 2.412 5.565 0.015 9 0 "[ . 1 . 2]" 1
429 1 52 LEU MD2 1 53 ALA H 5.750 . 5.750 4.806 4.662 4.981 . 0 0 "[ . 1 . 2]" 1
430 1 52 LEU MD2 1 56 CYS H 5.780 . 5.780 4.651 3.983 5.182 . 0 0 "[ . 1 . 2]" 1
431 1 81 LEU MD1 1 85 TYR QD 5.580 . 5.580 4.169 3.594 4.598 . 0 0 "[ . 1 . 2]" 1
432 1 81 LEU MD1 1 100 VAL H 5.460 . 5.460 4.432 4.083 4.931 . 0 0 "[ . 1 . 2]" 1
433 1 81 LEU MD1 1 84 ALA MB 4.660 . 4.660 3.883 2.328 4.734 0.074 8 0 "[ . 1 . 2]" 1
434 1 81 LEU MD2 1 101 LYS QE 5.040 . 5.040 3.896 2.112 4.884 . 0 0 "[ . 1 . 2]" 1
435 1 91 LEU HA 1 93 VAL MG2 5.240 . 5.240 4.439 1.998 5.463 0.223 15 0 "[ . 1 . 2]" 1
436 1 96 VAL MG2 1 97 THR H 5.220 . 5.220 3.890 3.616 4.280 . 0 0 "[ . 1 . 2]" 1
437 1 56 CYS HB2 1 73 LEU MD2 5.780 . 5.780 3.137 2.009 5.090 . 0 0 "[ . 1 . 2]" 1
438 1 73 LEU MD2 1 77 LEU MD1 5.330 . 5.330 4.133 2.703 4.822 . 0 0 "[ . 1 . 2]" 1
439 1 73 LEU MD2 1 107 ILE MD 5.780 . 5.780 4.271 2.126 5.387 . 0 0 "[ . 1 . 2]" 1
440 1 103 LEU MD1 1 106 ILE HB 5.160 . 5.160 2.774 2.116 4.287 . 0 0 "[ . 1 . 2]" 1
441 1 50 ILE MD 1 53 ALA MB 5.520 . 5.520 3.424 2.704 4.338 . 0 0 "[ . 1 . 2]" 1
442 1 29 TYR QB 1 50 ILE MD 5.440 . 5.440 3.643 2.502 5.493 0.053 19 0 "[ . 1 . 2]" 1
443 1 50 ILE H 1 50 ILE MD 5.380 . 5.380 3.167 2.182 3.521 . 0 0 "[ . 1 . 2]" 1
444 1 74 GLN H 1 107 ILE MD 5.480 . 5.480 3.998 3.061 5.207 . 0 0 "[ . 1 . 2]" 1
445 1 50 ILE MG 1 51 GLU H 5.330 . 5.330 3.632 3.194 4.033 . 0 0 "[ . 1 . 2]" 1
446 1 85 TYR QE 1 93 VAL MG1 5.540 . 5.540 3.673 2.486 5.402 . 0 0 "[ . 1 . 2]" 1
447 1 103 LEU MD1 1 106 ILE H 5.780 . 5.780 4.428 4.075 4.972 . 0 0 "[ . 1 . 2]" 1
448 1 103 LEU MD1 1 107 ILE H 5.780 . 5.780 3.968 3.364 4.681 . 0 0 "[ . 1 . 2]" 1
449 1 25 PHE QD 1 103 LEU MD1 5.590 . 5.590 3.479 2.604 5.453 . 0 0 "[ . 1 . 2]" 1
450 1 28 ALA MB 1 29 TYR QB 5.530 . 5.530 3.850 3.539 4.217 . 0 0 "[ . 1 . 2]" 1
451 1 65 ILE H 1 65 ILE MD 5.460 . 5.460 3.948 3.374 4.794 . 0 0 "[ . 1 . 2]" 1
452 1 65 ILE MG 1 70 PHE QE 4.890 . 4.890 2.807 1.802 4.135 . 0 0 "[ . 1 . 2]" 1
453 1 96 VAL HA 1 99 LEU MD2 5.260 . 5.260 4.163 3.373 4.616 . 0 0 "[ . 1 . 2]" 1
454 1 22 LEU QB 1 53 ALA MB 5.240 . 5.240 4.897 4.157 5.311 0.071 6 0 "[ . 1 . 2]" 1
455 1 53 ALA MB 1 54 ARG QB 5.020 . 5.020 4.149 3.537 4.366 . 0 0 "[ . 1 . 2]" 1
456 1 25 PHE QD 1 53 ALA MB 4.810 . 4.810 3.104 2.338 4.134 . 0 0 "[ . 1 . 2]" 1
457 1 22 LEU HA 1 53 ALA MB 5.780 . 5.780 4.803 3.930 5.194 . 0 0 "[ . 1 . 2]" 1
458 1 52 LEU HA 1 53 ALA MB 5.780 . 5.780 5.034 4.975 5.108 . 0 0 "[ . 1 . 2]" 1
459 1 95 PHE HZ 1 99 LEU MD2 5.210 . 5.210 3.370 2.419 4.257 . 0 0 "[ . 1 . 2]" 1
460 1 59 LYS H 1 65 ILE MD 5.550 . 5.550 4.564 3.911 5.632 0.082 14 0 "[ . 1 . 2]" 1
461 1 15 THR MG 1 18 MET QB 5.210 . 5.210 4.362 3.751 4.976 . 0 0 "[ . 1 . 2]" 1
462 1 15 THR MG 1 16 ALA H 5.370 . 5.370 3.574 3.228 4.126 . 0 0 "[ . 1 . 2]" 1
463 1 81 LEU H 1 81 LEU MD1 5.780 . 5.780 4.267 4.025 4.464 . 0 0 "[ . 1 . 2]" 1
464 1 81 LEU MD1 1 101 LYS H 5.780 . 5.780 4.229 3.512 5.423 . 0 0 "[ . 1 . 2]" 1
465 1 18 MET ME 1 106 ILE MG 4.640 . 4.640 4.079 3.415 4.549 . 0 0 "[ . 1 . 2]" 1
466 1 29 TYR QB 1 34 VAL MG1 4.910 . 4.910 3.198 1.890 4.445 . 0 0 "[ . 1 . 2]" 1
467 1 29 TYR QB 1 50 ILE MG 5.480 . 5.480 4.725 4.021 5.490 0.010 14 0 "[ . 1 . 2]" 1
468 1 26 THR HA 1 50 ILE MD 5.490 . 5.490 3.381 2.241 4.214 . 0 0 "[ . 1 . 2]" 1
469 1 23 ARG QD 1 57 LEU MD2 5.680 . 5.680 3.751 2.675 4.876 . 0 0 "[ . 1 . 2]" 1
470 1 59 LYS QD 1 69 TYR QE 5.170 . 5.170 3.776 2.159 5.324 0.154 6 0 "[ . 1 . 2]" 1
471 1 74 GLN HG2 1 104 LEU MD1 5.780 . 5.780 3.006 1.789 4.896 . 0 0 "[ . 1 . 2]" 1
472 1 74 GLN HG3 1 104 LEU MD1 5.780 . 5.780 3.339 1.816 5.868 0.088 12 0 "[ . 1 . 2]" 1
473 1 61 ARG H 1 61 ARG HG2 5.620 . 5.620 4.012 2.368 4.719 . 0 0 "[ . 1 . 2]" 1
474 1 61 ARG H 1 61 ARG HG3 5.620 . 5.620 3.623 2.019 4.628 . 0 0 "[ . 1 . 2]" 1
475 1 73 LEU H 1 73 LEU MD1 5.030 . 5.030 4.214 3.886 4.435 . 0 0 "[ . 1 . 2]" 1
476 1 52 LEU MD1 1 77 LEU HA 5.780 . 5.780 4.842 3.520 5.763 . 0 0 "[ . 1 . 2]" 1
477 1 81 LEU MD1 1 101 LYS QE 4.360 . 4.360 3.045 1.787 4.241 . 0 0 "[ . 1 . 2]" 1
478 1 101 LYS H 1 101 LYS QE 5.350 . 5.350 3.458 2.166 4.202 . 0 0 "[ . 1 . 2]" 1
479 1 102 LYS QE 1 105 ILE MD 5.620 . 5.620 4.265 2.408 5.427 . 0 0 "[ . 1 . 2]" 1
480 1 21 LYS QE 1 106 ILE MG 5.780 . 5.780 4.967 2.985 5.893 0.113 12 0 "[ . 1 . 2]" 1
481 1 18 MET HG2 1 106 ILE MG 5.100 . 5.100 2.382 1.710 2.918 . 0 0 "[ . 1 . 2]" 1
482 1 101 LYS QE 1 102 LYS H 5.380 . 5.380 5.148 4.588 5.775 0.395 19 0 "[ . 1 . 2]" 1
483 1 85 TYR QE 1 101 LYS QE 5.420 . 5.420 5.035 3.786 5.711 0.291 6 0 "[ . 1 . 2]" 1
484 1 33 SER H 1 34 VAL MG2 5.240 . 5.240 4.464 2.964 5.475 0.235 19 0 "[ . 1 . 2]" 1
485 1 29 TYR QE 1 34 VAL MG1 5.780 . 5.780 5.240 3.326 6.011 0.231 4 0 "[ . 1 . 2]" 1
486 1 34 VAL MG1 1 95 PHE QE 5.780 . 5.780 3.420 1.943 5.783 0.003 2 0 "[ . 1 . 2]" 1
487 1 60 SER HA 1 65 ILE MG 5.260 . 5.260 4.538 2.158 5.363 0.103 4 0 "[ . 1 . 2]" 1
488 1 22 LEU HA 1 22 LEU MD2 4.420 . 4.420 2.837 2.480 3.264 . 0 0 "[ . 1 . 2]" 1
489 1 101 LYS HA 1 105 ILE MD 5.780 . 5.780 4.464 3.911 5.530 . 0 0 "[ . 1 . 2]" 1
490 1 72 GLU H 1 72 GLU HG3 5.040 . 5.040 3.898 2.306 4.593 . 0 0 "[ . 1 . 2]" 1
491 1 99 LEU HA 1 100 VAL HA 5.220 . 5.220 4.854 4.687 4.981 . 0 0 "[ . 1 . 2]" 1
492 1 27 ARG H 1 27 ARG QD 5.330 . 5.330 4.389 3.661 4.913 . 0 0 "[ . 1 . 2]" 1
493 1 98 GLN HA 1 101 LYS QD 5.130 . 5.130 4.086 2.872 5.377 0.247 18 0 "[ . 1 . 2]" 1
494 1 42 LEU MD2 1 84 ALA HA 4.670 . 4.670 2.649 1.917 3.710 . 0 0 "[ . 1 . 2]" 1
495 1 19 GLU HA 1 57 LEU MD2 4.990 . 4.990 4.804 2.192 5.319 0.329 9 0 "[ . 1 . 2]" 1
496 1 30 GLU H 1 30 GLU HG3 5.400 . 5.400 3.461 2.414 4.575 . 0 0 "[ . 1 . 2]" 1
497 1 78 GLU HG2 1 81 LEU MD1 5.290 . 5.290 4.857 3.959 5.507 0.217 14 0 "[ . 1 . 2]" 1
498 1 78 GLU H 1 78 GLU HG2 4.890 . 4.890 4.132 3.435 4.672 . 0 0 "[ . 1 . 2]" 1
499 1 78 GLU HG3 1 81 LEU MD1 5.290 . 5.290 4.909 3.891 5.576 0.286 7 0 "[ . 1 . 2]" 1
500 1 25 PHE QD 1 50 ILE MD 5.000 . 5.000 4.468 3.409 5.071 0.071 11 0 "[ . 1 . 2]" 1
501 1 25 PHE QE 1 50 ILE MD 4.840 . 4.840 3.490 2.279 4.388 . 0 0 "[ . 1 . 2]" 1
502 1 68 VAL MG2 1 71 TYR QD 5.190 . 5.190 4.157 3.372 5.005 . 0 0 "[ . 1 . 2]" 1
503 1 42 LEU HA 1 96 VAL MG2 5.290 . 5.290 3.548 1.952 4.772 . 0 0 "[ . 1 . 2]" 1
504 1 95 PHE HA 1 96 VAL MG2 5.370 . 5.370 4.993 4.843 5.301 . 0 0 "[ . 1 . 2]" 1
505 1 41 VAL MG2 1 42 LEU H 5.390 . 5.390 2.883 1.774 4.002 . 0 0 "[ . 1 . 2]" 1
506 1 81 LEU MD1 1 97 THR HB 5.440 . 5.440 3.783 2.323 4.589 . 0 0 "[ . 1 . 2]" 1
507 1 26 THR MG 1 50 ILE HA 4.660 . 4.660 3.307 2.502 4.042 . 0 0 "[ . 1 . 2]" 1
508 1 26 THR MG 1 54 ARG HA 5.390 . 5.390 3.702 3.001 4.622 . 0 0 "[ . 1 . 2]" 1
509 1 73 LEU MD1 1 76 ASN HB3 5.260 . 5.260 3.947 3.263 5.339 0.079 14 0 "[ . 1 . 2]" 1
510 1 104 LEU H 1 104 LEU HG 5.350 . 5.350 4.509 4.161 4.641 . 0 0 "[ . 1 . 2]" 1
511 1 56 CYS HB3 1 73 LEU MD2 5.780 . 5.780 4.127 2.903 5.398 . 0 0 "[ . 1 . 2]" 1
512 1 42 LEU MD2 1 84 ALA MB 4.090 . 4.090 2.994 2.211 4.159 0.069 11 0 "[ . 1 . 2]" 1
513 1 21 LYS QD 1 106 ILE MG 4.900 . 4.900 4.168 2.636 4.965 0.065 16 0 "[ . 1 . 2]" 1
514 1 11 MET HA 1 11 MET ME 5.250 . 5.250 3.981 1.852 4.750 . 0 0 "[ . 1 . 2]" 1
515 1 106 ILE HB 1 107 ILE H 5.780 . 5.780 2.529 2.288 3.131 . 0 0 "[ . 1 . 2]" 1
516 1 102 LYS HA 1 105 ILE HB 5.450 . 5.450 2.766 2.051 5.127 . 0 0 "[ . 1 . 2]" 1
517 1 29 TYR QD 1 30 GLU HA 4.260 . 4.260 4.124 2.317 4.560 0.300 17 0 "[ . 1 . 2]" 1
518 1 44 PHE HA 1 44 PHE QD 3.860 . 3.860 2.890 2.488 3.597 . 0 0 "[ . 1 . 2]" 1
519 1 44 PHE QD 1 48 GLN HG2 5.120 . 5.120 3.657 2.569 4.983 . 0 0 "[ . 1 . 2]" 1
520 1 44 PHE QD 1 80 LEU MD2 4.060 . 4.060 3.343 2.315 4.198 0.138 19 0 "[ . 1 . 2]" 1
521 1 69 TYR HA 1 69 TYR QD 4.020 . 4.020 2.601 2.037 3.164 . 0 0 "[ . 1 . 2]" 1
522 1 69 TYR QD 1 73 LEU MD2 4.230 . 4.230 3.346 2.146 4.290 0.060 16 0 "[ . 1 . 2]" 1
523 1 65 ILE MG 1 69 TYR QD 4.550 . 4.550 2.987 1.893 4.672 0.122 16 0 "[ . 1 . 2]" 1
524 1 56 CYS HA 1 69 TYR QE 3.950 . 3.950 2.618 1.744 3.773 . 0 0 "[ . 1 . 2]" 1
525 1 69 TYR QE 1 73 LEU MD2 3.590 . 3.590 2.833 2.159 3.673 0.083 13 0 "[ . 1 . 2]" 1
526 1 65 ILE MD 1 69 TYR QE 4.390 . 4.390 3.742 3.009 4.614 0.224 14 0 "[ . 1 . 2]" 1
527 1 71 TYR H 1 71 TYR QD 3.980 . 3.980 2.430 1.746 3.249 . 0 0 "[ . 1 . 2]" 1
528 1 71 TYR HA 1 71 TYR QD 3.440 . 3.440 2.832 2.246 3.297 . 0 0 "[ . 1 . 2]" 1
529 1 95 PHE HA 1 95 PHE QD 3.730 . 3.730 2.924 2.506 3.138 . 0 0 "[ . 1 . 2]" 1
530 1 68 VAL HA 1 71 TYR QD 3.570 . 3.570 2.365 1.827 3.666 0.096 15 0 "[ . 1 . 2]" 1
531 1 67 THR MG 1 71 TYR QE 3.730 . 3.730 2.409 1.633 3.820 0.090 15 0 "[ . 1 . 2]" 1
532 1 81 LEU MD2 1 85 TYR QE 3.080 . 3.080 2.335 1.937 2.787 . 0 0 "[ . 1 . 2]" 1
533 1 85 TYR HA 1 85 TYR QD 3.290 . 3.290 2.043 1.769 2.628 . 0 0 "[ . 1 . 2]" 1
534 1 82 GLN HA 1 85 TYR QD 3.850 . 3.850 2.657 1.653 3.460 . 0 0 "[ . 1 . 2]" 1
535 1 81 LEU MD2 1 85 TYR QD 3.510 . 3.510 3.314 2.416 3.815 0.305 9 0 "[ . 1 . 2]" 1
536 1 81 LEU HG 1 85 TYR QE 3.540 . 3.540 2.798 2.242 3.673 0.133 20 0 "[ . 1 . 2]" 1
537 1 29 TYR H 1 29 TYR QE 4.080 . 4.080 4.140 3.821 4.251 0.171 2 0 "[ . 1 . 2]" 1
538 1 28 ALA MB 1 29 TYR QE 4.230 . 4.230 3.132 2.806 3.685 . 0 0 "[ . 1 . 2]" 1
539 1 65 ILE MG 1 70 PHE HZ 4.910 . 4.910 3.308 2.701 4.330 . 0 0 "[ . 1 . 2]" 1
540 1 65 ILE MD 1 70 PHE QE 4.790 . 4.790 2.897 2.270 3.945 . 0 0 "[ . 1 . 2]" 1
541 1 25 PHE QD 1 106 ILE MD 4.730 . 4.730 2.882 2.568 3.342 . 0 0 "[ . 1 . 2]" 1
542 1 70 PHE QE 1 107 ILE MG 4.880 . 4.880 2.997 2.201 4.060 . 0 0 "[ . 1 . 2]" 1
543 1 29 TYR QD 1 34 VAL MG2 4.160 . 4.160 3.194 2.554 3.888 . 0 0 "[ . 1 . 2]" 1
544 1 71 TYR QD 1 72 GLU H 4.160 . 4.160 4.052 3.665 4.256 0.096 5 0 "[ . 1 . 2]" 1
545 1 70 PHE QD 1 107 ILE MD 4.160 . 4.160 2.646 1.875 3.753 . 0 0 "[ . 1 . 2]" 1
546 1 25 PHE HZ 1 49 ILE MG 5.780 . 5.780 2.963 1.810 4.977 . 0 0 "[ . 1 . 2]" 1
547 1 70 PHE QD 1 107 ILE MG 5.780 . 5.780 3.429 2.518 4.610 . 0 0 "[ . 1 . 2]" 1
548 1 34 VAL MG2 1 95 PHE QE 4.500 . 4.500 3.366 2.191 4.724 0.224 5 0 "[ . 1 . 2]" 1
549 1 37 LEU MD1 1 95 PHE QE 4.680 . 4.680 3.201 2.388 3.993 . 0 0 "[ . 1 . 2]" 1
550 1 70 PHE HA 1 70 PHE QD 3.910 . 3.910 2.319 1.771 2.883 . 0 0 "[ . 1 . 2]" 1
551 1 85 TYR QD 1 93 VAL HB 4.970 . 4.970 3.997 1.983 5.037 0.067 8 0 "[ . 1 . 2]" 1
552 1 82 GLN QG 1 85 TYR QD 4.580 . 4.580 4.205 2.897 4.738 0.158 20 0 "[ . 1 . 2]" 1
553 1 85 TYR H 1 85 TYR QD 4.160 . 4.160 3.384 2.956 3.757 . 0 0 "[ . 1 . 2]" 1
554 1 95 PHE QD 1 96 VAL MG2 3.910 . 3.910 2.596 2.153 3.349 . 0 0 "[ . 1 . 2]" 1
555 1 85 TYR QD 1 93 VAL MG2 4.270 . 4.270 3.685 2.421 4.354 0.084 13 0 "[ . 1 . 2]" 1
556 1 37 LEU MD2 1 95 PHE QD 4.200 . 4.200 3.098 2.225 4.100 . 0 0 "[ . 1 . 2]" 1
557 1 67 THR HB 1 71 TYR QE 5.330 . 5.330 4.311 3.314 4.972 . 0 0 "[ . 1 . 2]" 1
558 1 71 TYR HA 1 71 TYR QE 5.780 . 5.780 4.710 4.497 4.931 . 0 0 "[ . 1 . 2]" 1
559 1 25 PHE QD 1 26 THR HB 4.280 . 4.280 4.143 3.735 4.634 0.354 4 0 "[ . 1 . 2]" 1
560 1 81 LEU MD1 1 85 TYR QE 3.390 . 3.390 3.038 2.329 3.485 0.095 9 0 "[ . 1 . 2]" 1
561 1 29 TYR QD 1 34 VAL MG1 4.590 . 4.590 3.872 2.399 4.642 0.052 6 0 "[ . 1 . 2]" 1
562 1 34 VAL MG2 1 46 HIS HE1 3.910 . 3.910 2.919 1.966 4.085 0.175 13 0 "[ . 1 . 2]" 1
563 1 18 MET ME 1 70 PHE HZ 4.300 . 4.300 3.158 2.139 3.987 . 0 0 "[ . 1 . 2]" 1
564 1 67 THR MG 1 71 TYR QD 4.470 . 4.470 3.617 2.702 4.360 . 0 0 "[ . 1 . 2]" 1
565 1 29 TYR QD 1 50 ILE MG 5.050 . 5.050 3.830 2.944 4.840 . 0 0 "[ . 1 . 2]" 1
566 1 25 PHE QE 1 49 ILE MG 4.450 . 4.450 3.024 2.059 4.222 . 0 0 "[ . 1 . 2]" 1
567 1 68 VAL MG1 1 71 TYR QD 4.780 . 4.780 3.888 3.256 4.763 . 0 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 111
_Distance_constraint_stats_list.Viol_count 93
_Distance_constraint_stats_list.Viol_total 190.379
_Distance_constraint_stats_list.Viol_max 0.382
_Distance_constraint_stats_list.Viol_rms 0.0266
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.1024
_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 17 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 MET 0.041 0.041 7 0 "[ . 1 . 2]"
1 19 GLU 1.246 0.289 8 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 1.908 0.289 8 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PHE 0.603 0.102 6 0 "[ . 1 . 2]"
1 45 ILE 1.615 0.296 4 0 "[ . 1 . 2]"
1 46 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 2.467 0.296 4 0 "[ . 1 . 2]"
1 49 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 0.435 0.180 9 0 "[ . 1 . 2]"
1 53 ALA 0.129 0.129 7 0 "[ . 1 . 2]"
1 54 ARG 0.989 0.257 10 0 "[ . 1 . 2]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 0.238 0.092 11 0 "[ . 1 . 2]"
1 59 LYS 0.004 0.004 19 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.445 0.236 14 0 "[ . 1 . 2]"
1 64 LEU 0.929 0.382 16 0 "[ . 1 . 2]"
1 65 ILE 0.795 0.382 16 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 TYR 1.180 0.224 2 0 "[ . 1 . 2]"
1 70 PHE 0.864 0.224 2 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.078 0.039 7 0 "[ . 1 . 2]"
1 74 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASN 0.816 0.325 10 0 "[ . 1 . 2]"
1 77 LEU 0.608 0.325 10 0 "[ . 1 . 2]"
1 78 GLU 0.133 0.071 16 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.021 0.021 4 0 "[ . 1 . 2]"
1 81 LEU 0.133 0.071 16 0 "[ . 1 . 2]"
1 82 GLN 0.080 0.080 12 0 "[ . 1 . 2]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.080 0.080 12 0 "[ . 1 . 2]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 VAL 1.255 0.289 17 0 "[ . 1 . 2]"
1 101 LYS 1.255 0.289 17 0 "[ . 1 . 2]"
1 102 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LEU 0.102 0.102 12 0 "[ . 1 . 2]"
1 105 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ILE 0.102 0.102 12 0 "[ . 1 . 2]"
1 109 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 PRO 0.204 0.195 3 0 "[ . 1 . 2]"
1 111 ALA 0.242 0.195 3 0 "[ . 1 . 2]"
1 112 ARG 0.039 0.039 18 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 17 GLN HA 1 20 GLU QG 5.000 . 5.000 3.788 2.257 4.713 . 0 0 "[ . 1 . 2]" 2
2 1 18 MET QG 1 19 GLU H 5.440 . 5.440 3.824 3.343 4.472 . 0 0 "[ . 1 . 2]" 2
3 1 18 MET QG 1 22 LEU H 5.060 . 5.060 4.403 4.088 5.101 0.041 7 0 "[ . 1 . 2]" 2
4 1 18 MET QG 1 106 ILE MG 4.430 . 4.430 2.103 1.705 2.584 . 0 0 "[ . 1 . 2]" 2
5 1 19 GLU H 1 19 GLU QG 5.090 . 5.090 4.003 3.901 4.056 . 0 0 "[ . 1 . 2]" 2
6 1 19 GLU QG 1 22 LEU MD2 5.030 . 5.030 4.896 4.212 5.319 0.289 8 0 "[ . 1 . 2]" 2
7 1 19 GLU QG 1 57 LEU MD1 4.840 . 4.840 2.023 1.643 2.862 . 0 0 "[ . 1 . 2]" 2
8 1 19 GLU QG 1 57 LEU MD2 4.150 . 4.150 3.820 2.010 4.242 0.092 11 0 "[ . 1 . 2]" 2
9 1 21 LYS HA 1 24 ASP QB 5.070 . 5.070 2.679 1.767 3.518 . 0 0 "[ . 1 . 2]" 2
10 1 21 LYS QB 1 106 ILE MG 4.610 . 4.610 2.307 1.887 3.488 . 0 0 "[ . 1 . 2]" 2
11 1 21 LYS QB 1 106 ILE MD 4.560 . 4.560 3.005 1.865 4.119 . 0 0 "[ . 1 . 2]" 2
12 1 22 LEU MD2 1 54 ARG QG 4.600 . 4.600 4.279 3.079 4.857 0.257 10 0 "[ . 1 . 2]" 2
13 1 26 THR MG 1 50 ILE QG 5.610 . 5.610 4.287 3.123 5.087 . 0 0 "[ . 1 . 2]" 2
14 1 27 ARG H 1 27 ARG QG 4.500 . 4.500 3.435 1.927 4.147 . 0 0 "[ . 1 . 2]" 2
15 1 30 GLU H 1 30 GLU QG 4.560 . 4.560 2.924 2.074 3.863 . 0 0 "[ . 1 . 2]" 2
16 1 35 LEU MD1 1 36 PRO QD 4.740 . 4.740 3.998 2.194 4.724 . 0 0 "[ . 1 . 2]" 2
17 1 37 LEU MD1 1 42 LEU QB 4.540 . 4.540 2.770 2.248 3.981 . 0 0 "[ . 1 . 2]" 2
18 1 37 LEU MD1 1 46 HIS QB 4.470 . 4.470 2.333 1.640 3.115 . 0 0 "[ . 1 . 2]" 2
19 1 37 LEU MD1 1 92 GLU QB 5.510 . 5.510 3.662 2.434 5.467 . 0 0 "[ . 1 . 2]" 2
20 1 37 LEU MD2 1 92 GLU QB 4.270 . 4.270 2.780 1.734 4.110 . 0 0 "[ . 1 . 2]" 2
21 1 37 LEU MD2 1 92 GLU QG 4.370 . 4.370 3.025 1.842 4.068 . 0 0 "[ . 1 . 2]" 2
22 1 42 LEU QB 1 96 VAL MG2 4.700 . 4.700 3.376 2.307 4.619 . 0 0 "[ . 1 . 2]" 2
23 1 44 PHE QD 1 48 GLN QE 4.670 . 4.670 4.515 3.402 4.772 0.102 6 0 "[ . 1 . 2]" 2
24 1 45 ILE HA 1 48 GLN QG 5.180 . 5.180 2.889 2.306 4.093 . 0 0 "[ . 1 . 2]" 2
25 1 45 ILE HA 1 48 GLN QE 5.220 . 5.220 5.125 4.003 5.516 0.296 4 0 "[ . 1 . 2]" 2
26 1 45 ILE QG 1 80 LEU MD2 5.610 . 5.610 2.541 1.692 4.392 . 0 0 "[ . 1 . 2]" 2
27 1 45 ILE MD 1 83 ASP QB 4.300 . 4.300 2.385 1.877 3.030 . 0 0 "[ . 1 . 2]" 2
28 1 48 GLN QG 1 80 LEU MD2 4.990 . 4.990 3.139 2.238 4.473 . 0 0 "[ . 1 . 2]" 2
29 1 48 GLN QE 1 52 LEU MD2 4.860 . 4.860 4.358 3.397 5.040 0.180 9 0 "[ . 1 . 2]" 2
30 1 48 GLN QE 1 80 LEU MD2 4.880 . 4.880 3.836 2.512 4.901 0.021 4 0 "[ . 1 . 2]" 2
31 1 49 ILE H 1 49 ILE QG 4.850 . 4.850 2.347 2.046 2.591 . 0 0 "[ . 1 . 2]" 2
32 1 49 ILE MG 1 99 LEU QB 4.860 . 4.860 2.123 1.588 3.014 . 0 0 "[ . 1 . 2]" 2
33 1 49 ILE MD 1 99 LEU QB 4.650 . 4.650 2.169 1.828 3.129 . 0 0 "[ . 1 . 2]" 2
34 1 51 GLU H 1 51 GLU QG 4.270 . 4.270 3.720 2.327 4.105 . 0 0 "[ . 1 . 2]" 2
35 1 52 LEU MD1 1 76 ASN QB 4.660 . 4.660 3.209 2.545 3.911 . 0 0 "[ . 1 . 2]" 2
36 1 52 LEU MD1 1 76 ASN QD 4.900 . 4.900 2.082 1.752 2.502 . 0 0 "[ . 1 . 2]" 2
37 1 52 LEU MD2 1 76 ASN QB 5.510 . 5.510 4.782 3.591 5.619 0.109 19 0 "[ . 1 . 2]" 2
38 1 52 LEU MD2 1 76 ASN QD 4.700 . 4.700 4.061 1.960 4.757 0.057 4 0 "[ . 1 . 2]" 2
39 1 53 ALA MB 1 54 ARG QG 4.820 . 4.820 3.238 2.819 4.949 0.129 7 0 "[ . 1 . 2]" 2
40 1 56 CYS H 1 56 CYS QB 3.860 . 3.860 2.315 2.251 2.559 . 0 0 "[ . 1 . 2]" 2
41 1 56 CYS QB 1 73 LEU MD1 5.610 . 5.610 3.617 2.695 4.574 . 0 0 "[ . 1 . 2]" 2
42 1 56 CYS QB 1 73 LEU MD2 4.920 . 4.920 2.988 1.998 4.357 . 0 0 "[ . 1 . 2]" 2
43 1 59 LYS H 1 59 LYS QG 4.820 . 4.820 2.821 2.107 4.075 . 0 0 "[ . 1 . 2]" 2
44 1 59 LYS QB 1 60 SER H 4.610 . 4.610 2.906 2.667 3.121 . 0 0 "[ . 1 . 2]" 2
45 1 59 LYS QB 1 65 ILE QG 4.290 . 4.290 2.428 1.669 3.591 . 0 0 "[ . 1 . 2]" 2
46 1 59 LYS QB 1 65 ILE MD 4.210 . 4.210 2.944 2.368 4.203 . 0 0 "[ . 1 . 2]" 2
47 1 59 LYS QE 1 69 TYR QE 4.600 . 4.600 3.793 2.608 4.604 0.004 19 0 "[ . 1 . 2]" 2
48 1 60 SER H 1 65 ILE QG 5.610 . 5.610 3.853 3.171 5.356 . 0 0 "[ . 1 . 2]" 2
49 1 60 SER HA 1 65 ILE QG 5.110 . 5.110 3.105 2.341 5.024 . 0 0 "[ . 1 . 2]" 2
50 1 61 ARG H 1 61 ARG QG 4.780 . 4.780 3.276 2.003 4.162 . 0 0 "[ . 1 . 2]" 2
51 1 61 ARG HA 1 61 ARG QD 5.010 . 5.010 3.953 2.258 4.578 . 0 0 "[ . 1 . 2]" 2
52 1 62 ASP QB 1 64 LEU MD1 4.580 . 4.580 3.801 2.832 4.816 0.236 14 0 "[ . 1 . 2]" 2
53 1 62 ASP QB 1 64 LEU MD2 4.900 . 4.900 3.708 1.571 4.960 0.060 14 0 "[ . 1 . 2]" 2
54 1 64 LEU H 1 65 ILE QG 5.610 . 5.610 3.982 2.838 5.992 0.382 16 0 "[ . 1 . 2]" 2
55 1 65 ILE QG 1 66 THR H 5.610 . 5.610 4.189 3.242 4.586 . 0 0 "[ . 1 . 2]" 2
56 1 65 ILE QG 1 69 TYR QD 4.250 . 4.250 3.202 1.807 4.382 0.132 20 0 "[ . 1 . 2]" 2
57 1 68 VAL MG1 1 72 GLU QG 4.470 . 4.470 3.041 1.903 4.191 . 0 0 "[ . 1 . 2]" 2
58 1 69 TYR QB 1 70 PHE QD 4.250 . 4.250 4.207 3.668 4.474 0.224 2 0 "[ . 1 . 2]" 2
59 1 72 GLU H 1 72 GLU QG 4.340 . 4.340 3.192 2.076 4.055 . 0 0 "[ . 1 . 2]" 2
60 1 72 GLU HA 1 72 GLU QG 3.810 . 3.810 2.698 2.254 3.228 . 0 0 "[ . 1 . 2]" 2
61 1 72 GLU QB 1 73 LEU H 4.610 . 4.610 2.569 2.249 2.886 . 0 0 "[ . 1 . 2]" 2
62 1 73 LEU HA 1 76 ASN QD 4.950 . 4.950 3.642 1.641 4.969 0.019 5 0 "[ . 1 . 2]" 2
63 1 73 LEU QB 1 77 LEU MD1 4.860 . 4.860 3.615 2.637 4.496 . 0 0 "[ . 1 . 2]" 2
64 1 73 LEU QB 1 107 ILE MD 5.400 . 5.400 3.159 2.270 4.586 . 0 0 "[ . 1 . 2]" 2
65 1 73 LEU MD1 1 76 ASN QB 4.620 . 4.620 3.735 3.191 4.640 0.020 14 0 "[ . 1 . 2]" 2
66 1 73 LEU MD1 1 76 ASN QD 4.560 . 4.560 3.237 1.673 4.276 . 0 0 "[ . 1 . 2]" 2
67 1 73 LEU MD1 1 77 LEU QB 4.400 . 4.400 4.061 3.458 4.439 0.039 7 0 "[ . 1 . 2]" 2
68 1 74 GLN QG 1 75 GLU H 5.210 . 5.210 3.947 3.207 4.374 . 0 0 "[ . 1 . 2]" 2
69 1 74 GLN QG 1 104 LEU MD2 5.390 . 5.390 3.209 1.803 4.374 . 0 0 "[ . 1 . 2]" 2
70 1 74 GLN QG 1 107 ILE MD 4.980 . 4.980 3.334 2.092 4.723 . 0 0 "[ . 1 . 2]" 2
71 1 76 ASN H 1 76 ASN QD 4.800 . 4.800 4.116 2.605 4.658 . 0 0 "[ . 1 . 2]" 2
72 1 76 ASN HA 1 79 LYS QB 5.010 . 5.010 2.682 2.092 3.158 . 0 0 "[ . 1 . 2]" 2
73 1 76 ASN QB 1 80 LEU MD1 5.610 . 5.610 3.964 2.475 4.273 . 0 0 "[ . 1 . 2]" 2
74 1 76 ASN QD 1 77 LEU QB 5.000 . 5.000 4.281 3.396 5.325 0.325 10 0 "[ . 1 . 2]" 2
75 1 76 ASN QD 1 77 LEU MD2 5.610 . 5.610 2.812 1.843 5.412 . 0 0 "[ . 1 . 2]" 2
76 1 76 ASN QD 1 80 LEU MD1 5.610 . 5.610 2.414 1.916 4.814 . 0 0 "[ . 1 . 2]" 2
77 1 78 GLU QB 1 79 LYS H 4.500 . 4.500 2.784 2.366 3.155 . 0 0 "[ . 1 . 2]" 2
78 1 78 GLU QG 1 81 LEU MD1 4.600 . 4.600 4.210 3.790 4.671 0.071 16 0 "[ . 1 . 2]" 2
79 1 79 LYS H 1 79 LYS QB 3.830 . 3.830 2.259 2.173 2.397 . 0 0 "[ . 1 . 2]" 2
80 1 79 LYS QB 1 80 LEU H 4.270 . 4.270 2.512 2.325 2.802 . 0 0 "[ . 1 . 2]" 2
81 1 79 LYS QG 1 80 LEU H 4.900 . 4.900 3.554 3.003 4.029 . 0 0 "[ . 1 . 2]" 2
82 1 79 LYS QG 1 80 LEU MD2 5.010 . 5.010 3.357 2.651 4.639 . 0 0 "[ . 1 . 2]" 2
83 1 81 LEU H 1 100 VAL QG 5.290 . 5.290 3.414 3.093 4.083 . 0 0 "[ . 1 . 2]" 2
84 1 81 LEU HA 1 100 VAL QG 5.520 . 5.520 3.261 2.805 3.874 . 0 0 "[ . 1 . 2]" 2
85 1 81 LEU QB 1 82 GLN H 4.410 . 4.410 2.570 2.258 3.133 . 0 0 "[ . 1 . 2]" 2
86 1 81 LEU QB 1 100 VAL QG 3.710 . 3.710 2.052 1.802 3.075 . 0 0 "[ . 1 . 2]" 2
87 1 82 GLN HA 1 85 TYR QB 4.630 . 4.630 2.387 1.972 2.835 . 0 0 "[ . 1 . 2]" 2
88 1 82 GLN QE 1 85 TYR QD 5.220 . 5.220 2.728 1.877 4.622 . 0 0 "[ . 1 . 2]" 2
89 1 82 GLN QE 1 85 TYR QE 4.760 . 4.760 3.768 2.461 4.840 0.080 12 0 "[ . 1 . 2]" 2
90 1 86 GLU H 1 86 GLU QG 4.290 . 4.290 3.464 2.223 4.151 . 0 0 "[ . 1 . 2]" 2
91 1 92 GLU QB 1 96 VAL MG2 4.990 . 4.990 4.007 3.208 4.831 . 0 0 "[ . 1 . 2]" 2
92 1 98 GLN H 1 98 GLN QG 4.590 . 4.590 3.215 2.121 4.096 . 0 0 "[ . 1 . 2]" 2
93 1 99 LEU H 1 100 VAL QG 5.710 . 5.710 4.145 3.551 4.422 . 0 0 "[ . 1 . 2]" 2
94 1 100 VAL QG 1 101 LYS H 4.440 . 4.440 2.809 2.014 3.200 . 0 0 "[ . 1 . 2]" 2
95 1 100 VAL QG 1 101 LYS HA 4.530 . 4.530 3.242 2.962 3.515 . 0 0 "[ . 1 . 2]" 2
96 1 100 VAL QG 1 101 LYS QD 5.710 . 5.710 4.340 1.798 5.588 . 0 0 "[ . 1 . 2]" 2
97 1 100 VAL QG 1 101 LYS QE 4.110 . 4.110 3.424 2.218 4.399 0.289 17 0 "[ . 1 . 2]" 2
98 1 101 LYS H 1 101 LYS QG 5.130 . 5.130 3.702 2.284 4.040 . 0 0 "[ . 1 . 2]" 2
99 1 101 LYS HA 1 104 LEU QB 4.830 . 4.830 2.550 1.883 2.941 . 0 0 "[ . 1 . 2]" 2
100 1 102 LYS H 1 102 LYS QG 4.540 . 4.540 3.010 2.200 4.144 . 0 0 "[ . 1 . 2]" 2
101 1 102 LYS H 1 102 LYS QD 5.610 . 5.610 4.015 3.328 4.856 . 0 0 "[ . 1 . 2]" 2
102 1 102 LYS HA 1 102 LYS QD 5.080 . 5.080 2.750 2.007 4.303 . 0 0 "[ . 1 . 2]" 2
103 1 103 LEU QB 1 104 LEU H 4.630 . 4.630 2.723 2.521 2.985 . 0 0 "[ . 1 . 2]" 2
104 1 104 LEU H 1 107 ILE QG 4.860 . 4.860 4.346 4.050 4.640 . 0 0 "[ . 1 . 2]" 2
105 1 104 LEU HA 1 107 ILE QG 4.860 . 4.860 2.350 2.007 2.798 . 0 0 "[ . 1 . 2]" 2
106 1 104 LEU QB 1 107 ILE QG 5.000 . 5.000 4.233 3.912 4.682 . 0 0 "[ . 1 . 2]" 2
107 1 104 LEU MD1 1 107 ILE QG 4.300 . 4.300 3.267 2.445 4.402 0.102 12 0 "[ . 1 . 2]" 2
108 1 105 ILE H 1 105 ILE QG 4.510 . 4.510 2.330 2.109 2.578 . 0 0 "[ . 1 . 2]" 2
109 1 109 ARG H 1 110 PRO QD 5.070 . 5.070 3.772 1.987 4.520 . 0 0 "[ . 1 . 2]" 2
110 1 110 PRO QB 1 111 ALA MB 4.790 . 4.790 4.185 3.258 4.985 0.195 3 0 "[ . 1 . 2]" 2
111 1 111 ALA MB 1 112 ARG QB 5.070 . 5.070 4.355 3.435 5.109 0.039 18 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 96
_Distance_constraint_stats_list.Viol_count 1049
_Distance_constraint_stats_list.Viol_total 1026.570
_Distance_constraint_stats_list.Viol_max 0.145
_Distance_constraint_stats_list.Viol_rms 0.0335
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0267
_Distance_constraint_stats_list.Viol_average_violations_only 0.0489
_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 15 THR 1.112 0.107 20 0 "[ . 1 . 2]"
1 16 ALA 2.117 0.140 7 0 "[ . 1 . 2]"
1 17 GLN 1.415 0.133 15 0 "[ . 1 . 2]"
1 18 MET 0.299 0.066 7 0 "[ . 1 . 2]"
1 19 GLU 1.634 0.109 5 0 "[ . 1 . 2]"
1 20 GLU 3.775 0.140 7 0 "[ . 1 . 2]"
1 21 LYS 2.628 0.133 15 0 "[ . 1 . 2]"
1 22 LEU 0.992 0.088 4 0 "[ . 1 . 2]"
1 23 ARG 1.302 0.109 5 0 "[ . 1 . 2]"
1 24 ASP 1.658 0.119 7 0 "[ . 1 . 2]"
1 25 PHE 1.213 0.120 7 0 "[ . 1 . 2]"
1 26 THR 0.693 0.088 4 0 "[ . 1 . 2]"
1 27 ARG 0.781 0.087 9 0 "[ . 1 . 2]"
1 41 VAL 0.727 0.125 1 0 "[ . 1 . 2]"
1 42 LEU 1.212 0.113 17 0 "[ . 1 . 2]"
1 43 SER 1.364 0.098 11 0 "[ . 1 . 2]"
1 44 PHE 0.443 0.072 16 0 "[ . 1 . 2]"
1 45 ILE 1.065 0.125 1 0 "[ . 1 . 2]"
1 46 HIS 4.867 0.145 16 0 "[ . 1 . 2]"
1 47 HIS 1.841 0.098 11 0 "[ . 1 . 2]"
1 48 GLN 1.509 0.109 2 0 "[ . 1 . 2]"
1 49 ILE 2.067 0.132 18 0 "[ . 1 . 2]"
1 50 ILE 4.716 0.145 16 0 "[ . 1 . 2]"
1 51 GLU 1.044 0.098 10 0 "[ . 1 . 2]"
1 52 LEU 1.699 0.109 2 0 "[ . 1 . 2]"
1 53 ALA 2.537 0.132 18 0 "[ . 1 . 2]"
1 54 ARG 2.292 0.112 16 0 "[ . 1 . 2]"
1 55 ASP 1.700 0.115 17 0 "[ . 1 . 2]"
1 56 CYS 1.525 0.081 6 0 "[ . 1 . 2]"
1 57 LEU 0.808 0.084 10 0 "[ . 1 . 2]"
1 58 THR 1.231 0.112 16 0 "[ . 1 . 2]"
1 59 LYS 1.132 0.115 17 0 "[ . 1 . 2]"
1 60 SER 0.892 0.081 6 0 "[ . 1 . 2]"
1 68 VAL 0.438 0.083 1 0 "[ . 1 . 2]"
1 69 TYR 0.616 0.077 17 0 "[ . 1 . 2]"
1 70 PHE 1.495 0.105 10 0 "[ . 1 . 2]"
1 71 TYR 0.935 0.097 13 0 "[ . 1 . 2]"
1 72 GLU 1.524 0.101 2 0 "[ . 1 . 2]"
1 73 LEU 1.331 0.119 17 0 "[ . 1 . 2]"
1 74 GLN 2.783 0.137 7 0 "[ . 1 . 2]"
1 75 GLU 2.241 0.100 13 0 "[ . 1 . 2]"
1 76 ASN 1.874 0.101 2 0 "[ . 1 . 2]"
1 77 LEU 1.336 0.119 17 0 "[ . 1 . 2]"
1 78 GLU 2.692 0.137 7 0 "[ . 1 . 2]"
1 79 LYS 2.136 0.100 13 0 "[ . 1 . 2]"
1 80 LEU 1.723 0.085 4 0 "[ . 1 . 2]"
1 81 LEU 1.634 0.121 16 0 "[ . 1 . 2]"
1 82 GLN 1.405 0.128 4 0 "[ . 1 . 2]"
1 83 ASP 0.829 0.075 7 0 "[ . 1 . 2]"
1 84 ALA 0.935 0.074 6 0 "[ . 1 . 2]"
1 85 TYR 1.013 0.121 16 0 "[ . 1 . 2]"
1 94 ALA 1.801 0.123 4 0 "[ . 1 . 2]"
1 95 PHE 0.924 0.107 3 0 "[ . 1 . 2]"
1 96 VAL 0.707 0.098 10 0 "[ . 1 . 2]"
1 97 THR 2.102 0.139 19 0 "[ . 1 . 2]"
1 98 GLN 2.309 0.123 4 0 "[ . 1 . 2]"
1 99 LEU 1.850 0.107 3 0 "[ . 1 . 2]"
1 100 VAL 2.448 0.136 19 0 "[ . 1 . 2]"
1 101 LYS 3.315 0.139 19 0 "[ . 1 . 2]"
1 102 LYS 1.300 0.122 12 0 "[ . 1 . 2]"
1 103 LEU 0.926 0.064 16 0 "[ . 1 . 2]"
1 104 LEU 1.741 0.136 19 0 "[ . 1 . 2]"
1 105 ILE 1.213 0.133 8 0 "[ . 1 . 2]"
1 106 ILE 0.792 0.122 12 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 15 THR O 1 19 GLU H . . 1.990 2.020 1.783 2.097 0.107 18 0 "[ . 1 . 2]" 3
2 1 15 THR O 1 19 GLU N . 2.710 2.990 2.903 2.603 3.026 0.107 20 0 "[ . 1 . 2]" 3
3 1 16 ALA O 1 20 GLU H . . 1.990 2.068 2.006 2.130 0.140 7 0 "[ . 1 . 2]" 3
4 1 16 ALA O 1 20 GLU N . 2.710 2.990 3.000 2.865 3.104 0.114 14 0 "[ . 1 . 2]" 3
5 1 17 GLN O 1 21 LYS H . . 1.990 2.034 1.859 2.123 0.133 15 0 "[ . 1 . 2]" 3
6 1 17 GLN O 1 21 LYS N . 2.710 2.990 2.967 2.729 3.109 0.119 15 0 "[ . 1 . 2]" 3
7 1 18 MET O 1 22 LEU H . . 1.990 1.994 1.911 2.056 0.066 7 0 "[ . 1 . 2]" 3
8 1 18 MET O 1 22 LEU N . 2.710 2.990 2.850 2.689 3.001 0.021 13 0 "[ . 1 . 2]" 3
9 1 19 GLU O 1 23 ARG H . . 1.990 1.987 1.871 2.099 0.109 5 0 "[ . 1 . 2]" 3
10 1 19 GLU O 1 23 ARG N . 2.710 2.990 2.900 2.699 3.039 0.049 5 0 "[ . 1 . 2]" 3
11 1 20 GLU O 1 24 ASP H . . 1.990 2.051 1.962 2.109 0.119 7 0 "[ . 1 . 2]" 3
12 1 20 GLU O 1 24 ASP N . 2.710 2.990 2.988 2.819 3.093 0.103 7 0 "[ . 1 . 2]" 3
13 1 21 LYS O 1 25 PHE H . . 1.990 2.048 2.008 2.110 0.120 7 0 "[ . 1 . 2]" 3
14 1 21 LYS O 1 25 PHE N . 2.710 2.990 2.915 2.791 3.013 0.023 3 0 "[ . 1 . 2]" 3
15 1 22 LEU O 1 26 THR H . . 1.990 2.004 1.799 2.078 0.088 4 0 "[ . 1 . 2]" 3
16 1 22 LEU O 1 26 THR N . 2.710 2.990 2.943 2.686 3.030 0.040 8 0 "[ . 1 . 2]" 3
17 1 23 ARG O 1 27 ARG H . . 1.990 2.008 1.781 2.077 0.087 9 0 "[ . 1 . 2]" 3
18 1 23 ARG O 1 27 ARG N . 2.710 2.990 2.857 2.730 3.007 0.017 15 0 "[ . 1 . 2]" 3
19 1 41 VAL O 1 45 ILE H . . 1.990 2.011 1.950 2.115 0.125 1 0 "[ . 1 . 2]" 3
20 1 41 VAL O 1 45 ILE N . 2.710 2.990 2.922 2.818 3.049 0.059 1 0 "[ . 1 . 2]" 3
21 1 42 LEU O 1 46 HIS H . . 1.990 2.039 2.000 2.103 0.113 17 0 "[ . 1 . 2]" 3
22 1 42 LEU O 1 46 HIS N . 2.710 2.990 2.973 2.804 3.031 0.041 10 0 "[ . 1 . 2]" 3
23 1 43 SER O 1 47 HIS H . . 1.990 2.045 1.959 2.088 0.098 11 0 "[ . 1 . 2]" 3
24 1 43 SER O 1 47 HIS N . 2.710 2.990 2.969 2.862 3.063 0.073 14 0 "[ . 1 . 2]" 3
25 1 44 PHE O 1 48 GLN H . . 1.990 1.998 1.860 2.062 0.072 16 0 "[ . 1 . 2]" 3
26 1 44 PHE O 1 48 GLN N . 2.710 2.990 2.905 2.764 3.010 0.020 16 0 "[ . 1 . 2]" 3
27 1 45 ILE O 1 49 ILE H . . 1.990 1.968 1.774 2.054 0.064 9 0 "[ . 1 . 2]" 3
28 1 45 ILE O 1 49 ILE N . 2.710 2.990 2.872 2.744 3.011 0.021 4 0 "[ . 1 . 2]" 3
29 1 46 HIS O 1 50 ILE H . . 1.990 2.095 2.013 2.135 0.145 16 0 "[ . 1 . 2]" 3
30 1 46 HIS O 1 50 ILE N . 2.710 2.990 3.068 2.981 3.123 0.133 16 0 "[ . 1 . 2]" 3
31 1 47 HIS O 1 51 GLU H . . 1.990 1.985 1.856 2.088 0.098 10 0 "[ . 1 . 2]" 3
32 1 47 HIS O 1 51 GLU N . 2.710 2.990 2.870 2.673 2.974 0.037 12 0 "[ . 1 . 2]" 3
33 1 48 GLN O 1 52 LEU H . . 1.990 2.029 1.818 2.099 0.109 2 0 "[ . 1 . 2]" 3
34 1 48 GLN O 1 52 LEU N . 2.710 2.990 2.937 2.724 3.058 0.068 12 0 "[ . 1 . 2]" 3
35 1 49 ILE O 1 53 ALA H . . 1.990 2.060 1.783 2.122 0.132 18 0 "[ . 1 . 2]" 3
36 1 49 ILE O 1 53 ALA N . 2.710 2.990 2.906 2.681 3.017 0.029 20 0 "[ . 1 . 2]" 3
37 1 50 ILE O 1 54 ARG H . . 1.990 2.028 1.977 2.097 0.107 17 0 "[ . 1 . 2]" 3
38 1 50 ILE O 1 54 ARG N . 2.710 2.990 2.986 2.925 3.054 0.064 2 0 "[ . 1 . 2]" 3
39 1 51 GLU O 1 55 ASP H . . 1.990 2.011 1.892 2.066 0.076 10 0 "[ . 1 . 2]" 3
40 1 51 GLU O 1 55 ASP N . 2.710 2.990 2.859 2.707 3.010 0.020 10 0 "[ . 1 . 2]" 3
41 1 52 LEU O 1 56 CYS H . . 1.990 2.009 1.833 2.070 0.080 3 0 "[ . 1 . 2]" 3
42 1 52 LEU O 1 56 CYS N . 2.710 2.990 2.916 2.792 3.001 0.011 2 0 "[ . 1 . 2]" 3
43 1 53 ALA O 1 57 LEU H . . 1.990 2.022 1.850 2.074 0.084 10 0 "[ . 1 . 2]" 3
44 1 53 ALA O 1 57 LEU N . 2.710 2.990 2.907 2.739 3.004 0.014 6 0 "[ . 1 . 2]" 3
45 1 54 ARG O 1 58 THR H . . 1.990 2.039 1.920 2.102 0.112 16 0 "[ . 1 . 2]" 3
46 1 54 ARG O 1 58 THR N . 2.710 2.990 2.960 2.786 3.037 0.047 10 0 "[ . 1 . 2]" 3
47 1 55 ASP O 1 59 LYS H . . 1.990 2.029 1.933 2.105 0.115 17 0 "[ . 1 . 2]" 3
48 1 55 ASP O 1 59 LYS N . 2.710 2.990 2.917 2.611 3.057 0.099 20 0 "[ . 1 . 2]" 3
49 1 56 CYS O 1 60 SER H . . 1.990 2.022 1.791 2.071 0.081 6 0 "[ . 1 . 2]" 3
50 1 56 CYS O 1 60 SER N . 2.710 2.990 2.830 2.675 2.908 0.035 20 0 "[ . 1 . 2]" 3
51 1 68 VAL O 1 72 GLU H . . 1.990 1.996 1.928 2.073 0.083 1 0 "[ . 1 . 2]" 3
52 1 68 VAL O 1 72 GLU N . 2.710 2.990 2.919 2.805 3.060 0.070 1 0 "[ . 1 . 2]" 3
53 1 69 TYR O 1 73 LEU H . . 1.990 2.001 1.867 2.067 0.077 17 0 "[ . 1 . 2]" 3
54 1 69 TYR O 1 73 LEU N . 2.710 2.990 2.885 2.734 3.027 0.037 17 0 "[ . 1 . 2]" 3
55 1 70 PHE O 1 74 GLN H . . 1.990 2.045 1.958 2.095 0.105 10 0 "[ . 1 . 2]" 3
56 1 70 PHE O 1 74 GLN N . 2.710 2.990 2.976 2.846 3.057 0.067 12 0 "[ . 1 . 2]" 3
57 1 71 TYR O 1 75 GLU H . . 1.990 2.013 1.901 2.087 0.097 13 0 "[ . 1 . 2]" 3
58 1 71 TYR O 1 75 GLU N . 2.710 2.990 2.941 2.810 3.074 0.084 13 0 "[ . 1 . 2]" 3
59 1 72 GLU O 1 76 ASN H . . 1.990 2.029 1.926 2.091 0.101 2 0 "[ . 1 . 2]" 3
60 1 72 GLU O 1 76 ASN N . 2.710 2.990 2.936 2.803 3.048 0.058 2 0 "[ . 1 . 2]" 3
61 1 73 LEU O 1 77 LEU H . . 1.990 2.005 1.879 2.109 0.119 17 0 "[ . 1 . 2]" 3
62 1 73 LEU O 1 77 LEU N . 2.710 2.990 2.929 2.784 3.038 0.048 17 0 "[ . 1 . 2]" 3
63 1 74 GLN O 1 78 GLU H . . 1.990 2.040 1.942 2.127 0.137 7 0 "[ . 1 . 2]" 3
64 1 74 GLN O 1 78 GLU N . 2.710 2.990 2.936 2.797 3.064 0.074 2 0 "[ . 1 . 2]" 3
65 1 75 GLU O 1 79 LYS H . . 1.990 2.049 1.901 2.090 0.100 13 0 "[ . 1 . 2]" 3
66 1 75 GLU O 1 79 LYS N . 2.710 2.990 2.936 2.855 3.012 0.022 18 0 "[ . 1 . 2]" 3
67 1 76 ASN O 1 80 LEU H . . 1.990 2.024 1.964 2.075 0.085 4 0 "[ . 1 . 2]" 3
68 1 76 ASN O 1 80 LEU N . 2.710 2.990 2.954 2.899 3.024 0.034 4 0 "[ . 1 . 2]" 3
69 1 77 LEU O 1 81 LEU H . . 1.990 2.017 1.949 2.087 0.097 16 0 "[ . 1 . 2]" 3
70 1 77 LEU O 1 81 LEU N . 2.710 2.990 2.815 2.725 3.001 0.011 16 0 "[ . 1 . 2]" 3
71 1 78 GLU O 1 82 GLN H . . 1.990 2.054 2.003 2.118 0.128 4 0 "[ . 1 . 2]" 3
72 1 78 GLU O 1 82 GLN N . 2.710 2.990 2.941 2.791 3.041 0.051 19 0 "[ . 1 . 2]" 3
73 1 79 LYS O 1 83 ASP H . . 1.990 2.019 1.903 2.065 0.075 7 0 "[ . 1 . 2]" 3
74 1 79 LYS O 1 83 ASP N . 2.710 2.990 2.906 2.792 3.039 0.049 7 0 "[ . 1 . 2]" 3
75 1 80 LEU O 1 84 ALA H . . 1.990 2.037 2.010 2.064 0.074 6 0 "[ . 1 . 2]" 3
76 1 80 LEU O 1 84 ALA N . 2.710 2.990 2.875 2.764 2.984 . 0 0 "[ . 1 . 2]" 3
77 1 81 LEU O 1 85 TYR H . . 1.990 2.033 1.909 2.111 0.121 16 0 "[ . 1 . 2]" 3
78 1 81 LEU O 1 85 TYR N . 2.710 2.990 2.922 2.783 3.022 0.032 16 0 "[ . 1 . 2]" 3
79 1 94 ALA O 1 98 GLN H . . 1.990 2.055 1.992 2.113 0.123 4 0 "[ . 1 . 2]" 3
80 1 94 ALA O 1 98 GLN N . 2.710 2.990 3.002 2.919 3.100 0.110 4 0 "[ . 1 . 2]" 3
81 1 95 PHE O 1 99 LEU H . . 1.990 2.021 1.840 2.097 0.107 3 0 "[ . 1 . 2]" 3
82 1 95 PHE O 1 99 LEU N . 2.710 2.990 2.943 2.743 3.048 0.058 3 0 "[ . 1 . 2]" 3
83 1 96 VAL O 1 100 VAL H . . 1.990 2.011 1.948 2.088 0.098 10 0 "[ . 1 . 2]" 3
84 1 96 VAL O 1 100 VAL N . 2.710 2.990 2.958 2.860 3.049 0.059 10 0 "[ . 1 . 2]" 3
85 1 97 THR O 1 101 LYS H . . 1.990 2.067 1.987 2.129 0.139 19 0 "[ . 1 . 2]" 3
86 1 97 THR O 1 101 LYS N . 2.710 2.990 3.001 2.847 3.114 0.124 19 0 "[ . 1 . 2]" 3
87 1 98 GLN O 1 102 LYS H . . 1.990 1.982 1.859 2.093 0.103 19 0 "[ . 1 . 2]" 3
88 1 98 GLN O 1 102 LYS N . 2.710 2.990 2.864 2.718 3.050 0.060 19 0 "[ . 1 . 2]" 3
89 1 99 LEU O 1 103 LEU H . . 1.990 2.017 1.847 2.054 0.064 16 0 "[ . 1 . 2]" 3
90 1 99 LEU O 1 103 LEU N . 2.710 2.990 2.963 2.803 3.031 0.041 16 0 "[ . 1 . 2]" 3
91 1 100 VAL O 1 104 LEU H . . 1.990 2.069 2.030 2.126 0.136 19 0 "[ . 1 . 2]" 3
92 1 100 VAL O 1 104 LEU N . 2.710 2.990 2.954 2.866 3.039 0.049 10 0 "[ . 1 . 2]" 3
93 1 101 LYS O 1 105 ILE H . . 1.990 2.034 1.818 2.123 0.133 8 0 "[ . 1 . 2]" 3
94 1 101 LYS O 1 105 ILE N . 2.710 2.990 2.931 2.690 3.036 0.046 12 0 "[ . 1 . 2]" 3
95 1 102 LYS O 1 106 ILE H . . 1.990 2.024 1.929 2.112 0.122 12 0 "[ . 1 . 2]" 3
96 1 102 LYS O 1 106 ILE N . 2.710 2.990 2.884 2.757 3.007 0.017 12 0 "[ . 1 . 2]" 3
stop_
save_
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