NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
540050 |
2loo   |
18219 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2loo
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 547
_Distance_constraint_stats_list.Viol_count 959
_Distance_constraint_stats_list.Viol_total 771.727
_Distance_constraint_stats_list.Viol_max 0.287
_Distance_constraint_stats_list.Viol_rms 0.0189
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0402
_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 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 0.049 0.023 8 0 "[ . 1 . 2]"
1 14 GLY 0.403 0.046 4 0 "[ . 1 . 2]"
1 15 PHE 0.061 0.047 6 0 "[ . 1 . 2]"
1 16 GLY 0.014 0.012 8 0 "[ . 1 . 2]"
1 17 TYR 0.002 0.001 14 0 "[ . 1 . 2]"
1 18 ALA 0.008 0.002 8 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 7 0 "[ . 1 . 2]"
1 20 LEU 0.086 0.013 2 0 "[ . 1 . 2]"
1 21 VAL 0.532 0.033 5 0 "[ . 1 . 2]"
1 22 THR 0.526 0.033 5 0 "[ . 1 . 2]"
1 23 PHE 0.156 0.017 13 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.071 0.017 13 0 "[ . 1 . 2]"
1 26 ILE 0.002 0.001 6 0 "[ . 1 . 2]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.003 0.001 6 0 "[ . 1 . 2]"
1 29 TYR 0.086 0.022 17 0 "[ . 1 . 2]"
1 30 LYS 0.099 0.023 5 0 "[ . 1 . 2]"
1 32 ARG 1.557 0.184 10 0 "[ . 1 . 2]"
1 33 GLY 1.219 0.184 10 0 "[ . 1 . 2]"
1 34 GLY 0.046 0.014 16 0 "[ . 1 . 2]"
1 35 VAL 0.046 0.014 16 0 "[ . 1 . 2]"
1 38 LEU 0.268 0.076 1 0 "[ . 1 . 2]"
1 39 ILE 0.197 0.056 1 0 "[ . 1 . 2]"
1 40 ALA 0.967 0.097 15 0 "[ . 1 . 2]"
1 41 GLY 0.187 0.056 1 0 "[ . 1 . 2]"
1 42 LEU 0.283 0.031 20 0 "[ . 1 . 2]"
1 43 PHE 0.082 0.016 9 0 "[ . 1 . 2]"
1 44 VAL 0.212 0.071 15 0 "[ . 1 . 2]"
1 45 GLY 0.396 0.047 18 0 "[ . 1 . 2]"
1 46 CYS 0.097 0.047 18 0 "[ . 1 . 2]"
1 47 LEU 0.156 0.053 18 0 "[ . 1 . 2]"
1 48 ALA 0.227 0.036 20 0 "[ . 1 . 2]"
1 49 GLY 0.097 0.047 18 0 "[ . 1 . 2]"
1 50 TYR 0.013 0.010 20 0 "[ . 1 . 2]"
1 51 GLY 0.169 0.084 6 0 "[ . 1 . 2]"
1 52 ALA 0.066 0.021 20 0 "[ . 1 . 2]"
1 53 TYR 0.574 0.089 20 0 "[ . 1 . 2]"
1 54 ARG 0.752 0.148 6 0 "[ . 1 . 2]"
1 55 VAL 2.353 0.176 14 0 "[ . 1 . 2]"
1 56 SER 2.821 0.157 6 0 "[ . 1 . 2]"
1 57 ASN 1.457 0.097 12 0 "[ . 1 . 2]"
1 58 ASP 2.558 0.235 4 0 "[ . 1 . 2]"
1 59 LYS 1.703 0.235 4 0 "[ . 1 . 2]"
1 60 ARG 4.340 0.183 12 0 "[ . 1 . 2]"
1 61 ASP 0.013 0.013 18 0 "[ . 1 . 2]"
1 62 VAL 2.571 0.270 18 0 "[ . 1 . 2]"
1 63 LYS 3.683 0.270 18 0 "[ . 1 . 2]"
1 64 VAL 2.212 0.100 10 0 "[ . 1 . 2]"
1 65 SER 0.327 0.051 11 0 "[ . 1 . 2]"
1 66 LEU 0.467 0.045 15 0 "[ . 1 . 2]"
1 67 PHE 0.217 0.051 11 0 "[ . 1 . 2]"
1 68 THR 0.681 0.058 11 0 "[ . 1 . 2]"
1 69 ALA 0.524 0.045 15 0 "[ . 1 . 2]"
1 70 PHE 0.902 0.058 11 0 "[ . 1 . 2]"
1 71 PHE 0.770 0.065 15 0 "[ . 1 . 2]"
1 72 LEU 0.020 0.008 8 0 "[ . 1 . 2]"
1 73 ALA 0.358 0.046 12 0 "[ . 1 . 2]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 MET 0.358 0.046 12 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.222 0.030 9 0 "[ . 1 . 2]"
1 79 ARG 0.050 0.023 10 0 "[ . 1 . 2]"
1 80 PHE 0.010 0.010 18 0 "[ . 1 . 2]"
1 88 PRO 1.078 0.109 15 0 "[ . 1 . 2]"
1 89 ALA 0.483 0.097 15 0 "[ . 1 . 2]"
1 90 GLY 0.767 0.095 15 0 "[ . 1 . 2]"
1 91 LEU 0.919 0.109 15 0 "[ . 1 . 2]"
1 92 VAL 2.368 0.253 5 0 "[ . 1 . 2]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLY 0.540 0.052 17 0 "[ . 1 . 2]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 MET 0.312 0.091 20 0 "[ . 1 . 2]"
1 99 MET 0.187 0.069 3 0 "[ . 1 . 2]"
1 100 ILE 0.096 0.045 11 0 "[ . 1 . 2]"
1 101 LEU 0.332 0.091 20 0 "[ . 1 . 2]"
1 102 ARG 0.232 0.038 1 0 "[ . 1 . 2]"
1 103 LEU 0.032 0.014 2 0 "[ . 1 . 2]"
1 104 VAL 0.183 0.038 1 0 "[ . 1 . 2]"
1 105 LEU 0.070 0.015 5 0 "[ . 1 . 2]"
1 106 LEU 5.469 0.202 8 0 "[ . 1 . 2]"
1 107 LEU 4.996 0.287 11 0 "[ . 1 . 2]"
1 108 LEU 1.592 0.107 6 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 PHE H 1 16 GLY H . . 2.960 2.867 2.164 2.972 0.012 8 0 "[ . 1 . 2]" 1
2 1 15 PHE HA 1 16 GLY H . . 3.760 3.641 3.634 3.644 . 0 0 "[ . 1 . 2]" 1
3 1 15 PHE H 1 15 PHE HA . . 2.890 2.776 2.726 2.937 0.047 6 0 "[ . 1 . 2]" 1
4 1 15 PHE H 1 15 PHE HB2 . . 3.020 2.033 1.954 2.557 . 0 0 "[ . 1 . 2]" 1
5 1 15 PHE H 1 15 PHE HB3 . . 3.020 2.764 2.649 2.861 . 0 0 "[ . 1 . 2]" 1
6 1 15 PHE HB2 1 16 GLY H . . 3.470 3.301 3.136 3.436 . 0 0 "[ . 1 . 2]" 1
7 1 15 PHE HB3 1 16 GLY H . . 3.470 2.100 1.955 2.278 . 0 0 "[ . 1 . 2]" 1
8 1 16 GLY H 1 16 GLY HA2 . . 2.960 2.722 2.672 2.781 . 0 0 "[ . 1 . 2]" 1
9 1 16 GLY H 1 16 GLY HA3 . . 2.960 2.256 2.246 2.269 . 0 0 "[ . 1 . 2]" 1
10 1 14 GLY H 1 14 GLY HA2 . . 2.860 2.271 2.249 2.295 . 0 0 "[ . 1 . 2]" 1
11 1 13 ILE HB 1 14 GLY H . . 3.600 3.577 3.524 3.623 0.023 8 0 "[ . 1 . 2]" 1
12 1 17 TYR H 1 18 ALA H . . 3.230 2.878 2.749 3.081 . 0 0 "[ . 1 . 2]" 1
13 1 17 TYR H 1 17 TYR HA . . 2.990 2.755 2.704 2.788 . 0 0 "[ . 1 . 2]" 1
14 1 16 GLY HA2 1 17 TYR H . . 3.730 3.634 3.616 3.644 . 0 0 "[ . 1 . 2]" 1
15 1 16 GLY HA3 1 17 TYR H . . 3.730 2.795 2.715 2.897 . 0 0 "[ . 1 . 2]" 1
16 1 17 TYR H 1 17 TYR HB2 . . 2.760 2.026 1.966 2.125 . 0 0 "[ . 1 . 2]" 1
17 1 17 TYR HB2 1 18 ALA H . . 3.530 3.461 3.337 3.528 . 0 0 "[ . 1 . 2]" 1
18 1 17 TYR H 1 19 ALA H . . 4.030 3.814 3.642 3.966 . 0 0 "[ . 1 . 2]" 1
19 1 18 ALA H 1 19 ALA H . . 2.960 2.531 2.432 2.630 . 0 0 "[ . 1 . 2]" 1
20 1 19 ALA H 1 19 ALA HA . . 2.860 2.813 2.792 2.830 . 0 0 "[ . 1 . 2]" 1
21 1 16 GLY HA2 1 19 ALA H . . 4.400 3.308 3.188 3.445 . 0 0 "[ . 1 . 2]" 1
22 1 16 GLY HA3 1 19 ALA H . . 4.400 4.320 4.219 4.400 0.000 7 0 "[ . 1 . 2]" 1
23 1 17 TYR HA 1 20 LEU H . . 3.900 3.795 3.695 3.899 . 0 0 "[ . 1 . 2]" 1
24 1 18 ALA HA 1 21 VAL H . . 3.470 3.441 3.379 3.471 0.001 2 0 "[ . 1 . 2]" 1
25 1 18 ALA H 1 18 ALA HA . . 3.060 2.822 2.789 2.851 . 0 0 "[ . 1 . 2]" 1
26 1 21 VAL H 1 21 VAL HA . . 2.860 2.757 2.747 2.769 . 0 0 "[ . 1 . 2]" 1
27 1 21 VAL H 1 21 VAL HB . . 2.690 2.226 2.155 2.417 . 0 0 "[ . 1 . 2]" 1
28 1 21 VAL H 1 23 PHE H . . 4.330 3.980 3.904 4.111 . 0 0 "[ . 1 . 2]" 1
29 1 22 THR H 1 23 PHE H . . 3.100 2.655 2.622 2.677 . 0 0 "[ . 1 . 2]" 1
30 1 23 PHE H 1 23 PHE HA . . 3.020 2.792 2.779 2.808 . 0 0 "[ . 1 . 2]" 1
31 1 23 PHE H 1 23 PHE HB2 . . 3.020 2.066 1.969 2.322 . 0 0 "[ . 1 . 2]" 1
32 1 23 PHE H 1 23 PHE HB3 . . 3.020 2.676 2.373 2.814 . 0 0 "[ . 1 . 2]" 1
33 1 24 GLY H 1 25 SER H . . 3.100 2.602 2.544 2.655 . 0 0 "[ . 1 . 2]" 1
34 1 23 PHE H 1 25 SER H . . 5.940 3.769 3.712 3.840 . 0 0 "[ . 1 . 2]" 1
35 1 24 GLY H 1 26 ILE H . . 5.940 4.489 4.408 4.611 . 0 0 "[ . 1 . 2]" 1
36 1 25 SER H 1 26 ILE H . . 2.830 2.658 2.600 2.722 . 0 0 "[ . 1 . 2]" 1
37 1 22 THR H 1 24 GLY H . . 5.940 4.515 4.462 4.599 . 0 0 "[ . 1 . 2]" 1
38 1 22 THR HA 1 25 SER H . . 3.900 3.328 3.249 3.390 . 0 0 "[ . 1 . 2]" 1
39 1 23 PHE HA 1 25 SER H . . 4.140 4.143 4.137 4.157 0.017 13 0 "[ . 1 . 2]" 1
40 1 25 SER H 1 25 SER HB2 . . 3.230 2.035 2.026 2.058 . 0 0 "[ . 1 . 2]" 1
41 1 25 SER H 1 25 SER HB3 . . 3.230 3.166 3.076 3.229 . 0 0 "[ . 1 . 2]" 1
42 1 24 GLY HA3 1 25 SER H . . 3.760 3.074 3.045 3.103 . 0 0 "[ . 1 . 2]" 1
43 1 25 SER H 1 25 SER HA . . 2.930 2.796 2.784 2.813 . 0 0 "[ . 1 . 2]" 1
44 1 22 THR H 1 22 THR HB . . 2.690 2.264 2.192 2.374 . 0 0 "[ . 1 . 2]" 1
45 1 21 VAL HA 1 22 THR H . . 3.600 3.626 3.617 3.633 0.033 5 0 "[ . 1 . 2]" 1
46 1 28 GLY H 1 29 TYR H . . 3.130 3.058 2.903 3.130 0.000 14 0 "[ . 1 . 2]" 1
47 1 27 PHE HA 1 28 GLY H . . 3.760 3.617 3.581 3.636 . 0 0 "[ . 1 . 2]" 1
48 1 28 GLY H 1 28 GLY HA2 . . 3.100 2.544 2.246 2.937 . 0 0 "[ . 1 . 2]" 1
49 1 28 GLY H 1 28 GLY HA3 . . 3.100 2.527 2.246 2.954 . 0 0 "[ . 1 . 2]" 1
50 1 27 PHE HB2 1 28 GLY H . . 4.470 3.305 2.780 3.689 . 0 0 "[ . 1 . 2]" 1
51 1 26 ILE HB 1 27 PHE H . . 2.990 2.357 2.220 2.707 . 0 0 "[ . 1 . 2]" 1
52 1 23 PHE HA 1 26 ILE H . . 5.940 3.661 3.538 3.799 . 0 0 "[ . 1 . 2]" 1
53 1 25 SER HB2 1 26 ILE H . . 3.200 3.103 2.970 3.181 . 0 0 "[ . 1 . 2]" 1
54 1 25 SER HB3 1 26 ILE H . . 3.200 2.720 2.570 2.888 . 0 0 "[ . 1 . 2]" 1
55 1 26 ILE H 1 26 ILE HB . . 2.990 2.341 2.284 2.416 . 0 0 "[ . 1 . 2]" 1
56 1 30 LYS H 1 30 LYS HA . . 2.760 2.741 2.680 2.783 0.023 5 0 "[ . 1 . 2]" 1
57 1 29 TYR HA 1 30 LYS H . . 2.860 2.328 2.192 2.819 . 0 0 "[ . 1 . 2]" 1
58 1 30 LYS H 1 30 LYS HB2 . . 2.990 2.133 2.058 2.442 . 0 0 "[ . 1 . 2]" 1
59 1 30 LYS H 1 30 LYS HB3 . . 2.990 2.868 2.476 2.984 . 0 0 "[ . 1 . 2]" 1
60 1 32 ARG HA 1 33 GLY H . . 3.660 3.372 2.970 3.650 . 0 0 "[ . 1 . 2]" 1
61 1 32 ARG HB2 1 33 GLY H . . 3.260 3.199 2.819 3.444 0.184 10 0 "[ . 1 . 2]" 1
62 1 32 ARG HB3 1 33 GLY H . . 3.260 2.148 1.908 2.785 . 0 0 "[ . 1 . 2]" 1
63 1 35 VAL H 1 35 VAL HA . . 2.960 2.816 2.733 2.857 . 0 0 "[ . 1 . 2]" 1
64 1 35 VAL H 1 35 VAL HB . . 2.860 2.003 1.994 2.026 . 0 0 "[ . 1 . 2]" 1
65 1 38 LEU H 1 38 LEU HA . . 2.990 2.722 2.676 2.787 . 0 0 "[ . 1 . 2]" 1
66 1 41 GLY H 1 42 LEU H . . 3.330 2.818 2.665 2.970 . 0 0 "[ . 1 . 2]" 1
67 1 39 ILE HB 1 40 ALA H . . 4.170 3.931 2.908 4.177 0.007 5 0 "[ . 1 . 2]" 1
68 1 42 LEU H 1 42 LEU HB2 . . 3.420 2.582 2.398 2.707 . 0 0 "[ . 1 . 2]" 1
69 1 42 LEU H 1 42 LEU HB3 . . 3.420 2.304 2.192 2.482 . 0 0 "[ . 1 . 2]" 1
70 1 42 LEU H 1 43 PHE H . . 3.100 2.907 2.720 3.116 0.016 9 0 "[ . 1 . 2]" 1
71 1 43 PHE H 1 43 PHE HB2 . . 2.960 2.121 1.939 2.297 . 0 0 "[ . 1 . 2]" 1
72 1 43 PHE H 1 43 PHE HB3 . . 2.960 2.623 2.400 2.960 . 0 0 "[ . 1 . 2]" 1
73 1 42 LEU HB3 1 43 PHE H . . 4.440 2.650 2.428 2.865 . 0 0 "[ . 1 . 2]" 1
74 1 42 LEU HB2 1 43 PHE H . . 4.440 4.001 3.858 4.147 . 0 0 "[ . 1 . 2]" 1
75 1 44 VAL HA 1 45 GLY H . . 3.690 3.580 3.555 3.598 . 0 0 "[ . 1 . 2]" 1
76 1 43 PHE HA 1 45 GLY H . . 4.230 4.169 4.035 4.241 0.011 18 0 "[ . 1 . 2]" 1
77 1 44 VAL HB 1 45 GLY H . . 3.360 2.872 2.758 3.042 . 0 0 "[ . 1 . 2]" 1
78 1 42 LEU H 1 44 VAL H . . 4.770 4.410 4.062 4.662 . 0 0 "[ . 1 . 2]" 1
79 1 43 PHE HA 1 44 VAL H . . 3.870 3.631 3.601 3.643 . 0 0 "[ . 1 . 2]" 1
80 1 44 VAL H 1 44 VAL HA . . 2.990 2.757 2.700 2.810 . 0 0 "[ . 1 . 2]" 1
81 1 43 PHE HB2 1 44 VAL H . . 3.690 3.531 3.195 3.695 0.005 5 0 "[ . 1 . 2]" 1
82 1 43 PHE HB3 1 44 VAL H . . 3.690 2.256 2.055 2.528 . 0 0 "[ . 1 . 2]" 1
83 1 44 VAL H 1 44 VAL HB . . 2.720 2.290 2.139 2.429 . 0 0 "[ . 1 . 2]" 1
84 1 46 CYS H 1 47 LEU H . . 3.630 2.686 2.552 2.797 . 0 0 "[ . 1 . 2]" 1
85 1 45 GLY H 1 47 LEU H . . 4.360 4.238 3.993 4.370 0.010 18 0 "[ . 1 . 2]" 1
86 1 43 PHE HA 1 46 CYS H . . 5.940 3.138 3.015 3.323 . 0 0 "[ . 1 . 2]" 1
87 1 46 CYS H 1 46 CYS HB2 . . 3.660 2.109 2.047 2.261 . 0 0 "[ . 1 . 2]" 1
88 1 46 CYS H 1 46 CYS HB3 . . 3.660 3.115 2.780 3.424 . 0 0 "[ . 1 . 2]" 1
89 1 47 LEU H 1 47 LEU HA . . 2.990 2.816 2.787 2.847 . 0 0 "[ . 1 . 2]" 1
90 1 44 VAL HA 1 47 LEU H . . 3.690 3.595 3.453 3.698 0.008 13 0 "[ . 1 . 2]" 1
91 1 47 LEU H 1 48 ALA H . . 2.930 2.565 2.462 2.646 . 0 0 "[ . 1 . 2]" 1
92 1 46 CYS H 1 48 ALA H . . 4.140 3.768 3.564 4.065 . 0 0 "[ . 1 . 2]" 1
93 1 48 ALA H 1 49 GLY H . . 3.500 2.765 2.666 2.855 . 0 0 "[ . 1 . 2]" 1
94 1 46 CYS HA 1 49 GLY H . . 3.630 3.602 3.491 3.677 0.047 18 0 "[ . 1 . 2]" 1
95 1 49 GLY H 1 49 GLY HA2 . . 3.020 2.833 2.795 2.882 . 0 0 "[ . 1 . 2]" 1
96 1 49 GLY H 1 49 GLY HA3 . . 3.020 2.254 2.246 2.274 . 0 0 "[ . 1 . 2]" 1
97 1 50 TYR H 1 50 TYR HB3 . . 3.020 2.598 2.423 2.779 . 0 0 "[ . 1 . 2]" 1
98 1 50 TYR H 1 50 TYR HB2 . . 3.020 2.110 1.978 2.251 . 0 0 "[ . 1 . 2]" 1
99 1 49 GLY HA2 1 50 TYR H . . 3.930 3.641 3.636 3.645 . 0 0 "[ . 1 . 2]" 1
100 1 51 GLY H 1 52 ALA H . . 3.500 2.664 2.286 3.111 . 0 0 "[ . 1 . 2]" 1
101 1 50 TYR HB2 1 51 GLY H . . 3.900 3.778 3.517 3.902 0.002 3 0 "[ . 1 . 2]" 1
102 1 51 GLY HA2 1 52 ALA H . . 3.930 3.622 3.582 3.644 . 0 0 "[ . 1 . 2]" 1
103 1 51 GLY HA3 1 52 ALA H . . 3.930 2.704 2.455 3.004 . 0 0 "[ . 1 . 2]" 1
104 1 53 TYR H 1 55 VAL H . . 3.760 3.764 3.682 3.849 0.089 20 0 "[ . 1 . 2]" 1
105 1 55 VAL H 1 56 SER H . . 3.600 2.559 2.115 2.901 . 0 0 "[ . 1 . 2]" 1
106 1 56 SER H 1 57 ASN H . . 4.600 4.198 2.465 4.674 0.074 4 0 "[ . 1 . 2]" 1
107 1 56 SER H 1 56 SER HA . . 3.130 2.780 2.626 2.914 . 0 0 "[ . 1 . 2]" 1
108 1 55 VAL H 1 55 VAL HA . . 3.130 2.650 2.209 2.925 . 0 0 "[ . 1 . 2]" 1
109 1 54 ARG HA 1 55 VAL H . . 3.660 3.392 3.243 3.577 . 0 0 "[ . 1 . 2]" 1
110 1 55 VAL HA 1 56 SER H . . 3.390 3.373 3.187 3.547 0.157 6 0 "[ . 1 . 2]" 1
111 1 55 VAL H 1 55 VAL HB . . 3.230 2.499 1.994 3.406 0.176 14 0 "[ . 1 . 2]" 1
112 1 54 ARG HB3 1 55 VAL H . . 3.930 3.580 2.807 3.989 0.059 1 0 "[ . 1 . 2]" 1
113 1 57 ASN H 1 57 ASN HA . . 2.830 2.499 2.176 2.892 0.062 13 0 "[ . 1 . 2]" 1
114 1 56 SER HA 1 57 ASN H . . 3.100 2.535 2.279 3.197 0.097 12 0 "[ . 1 . 2]" 1
115 1 56 SER HB2 1 57 ASN H . . 4.140 4.105 3.921 4.225 0.085 13 0 "[ . 1 . 2]" 1
116 1 56 SER H 1 56 SER HB2 . . 2.930 2.462 2.146 2.953 0.023 20 0 "[ . 1 . 2]" 1
117 1 56 SER H 1 56 SER HB3 . . 2.930 2.678 2.348 2.979 0.049 13 0 "[ . 1 . 2]" 1
118 1 56 SER HB3 1 57 ASN H . . 4.140 3.875 2.943 4.159 0.019 10 0 "[ . 1 . 2]" 1
119 1 58 ASP H 1 59 LYS H . . 2.800 2.338 1.885 2.619 . 0 0 "[ . 1 . 2]" 1
120 1 57 ASN HA 1 58 ASP H . . 3.800 3.594 2.504 3.656 . 0 0 "[ . 1 . 2]" 1
121 1 58 ASP H 1 58 ASP HA . . 2.800 2.838 2.760 2.915 0.115 16 0 "[ . 1 . 2]" 1
122 1 58 ASP H 1 58 ASP HB2 . . 3.100 2.469 2.020 3.130 0.030 4 0 "[ . 1 . 2]" 1
123 1 58 ASP H 1 58 ASP HB3 . . 3.100 2.972 2.585 3.156 0.056 4 0 "[ . 1 . 2]" 1
124 1 58 ASP HA 1 59 LYS H . . 3.420 3.444 3.177 3.655 0.235 4 0 "[ . 1 . 2]" 1
125 1 58 ASP HB2 1 59 LYS H . . 4.140 3.803 3.215 4.175 0.035 16 0 "[ . 1 . 2]" 1
126 1 58 ASP HB3 1 59 LYS H . . 4.140 3.189 1.921 3.949 . 0 0 "[ . 1 . 2]" 1
127 1 59 LYS HA 1 60 ARG H . . 3.390 2.835 2.214 3.563 0.173 16 0 "[ . 1 . 2]" 1
128 1 60 ARG H 1 60 ARG HB2 . . 3.420 3.180 2.562 3.555 0.135 15 0 "[ . 1 . 2]" 1
129 1 61 ASP H 1 62 VAL H . . 3.200 2.390 1.923 3.213 0.013 18 0 "[ . 1 . 2]" 1
130 1 62 VAL H 1 62 VAL HB . . 2.930 2.495 2.197 3.176 0.246 18 0 "[ . 1 . 2]" 1
131 1 61 ASP H 1 63 LYS H . . 3.160 2.495 2.059 3.129 . 0 0 "[ . 1 . 2]" 1
132 1 63 LYS H 1 63 LYS HA . . 2.830 2.778 2.692 2.831 0.001 13 0 "[ . 1 . 2]" 1
133 1 62 VAL HB 1 63 LYS H . . 3.390 3.287 2.723 3.415 0.025 1 0 "[ . 1 . 2]" 1
134 1 65 SER H 1 67 PHE H . . 5.940 4.459 4.069 4.632 . 0 0 "[ . 1 . 2]" 1
135 1 65 SER H 1 65 SER HB2 . . 2.990 2.103 2.058 2.232 . 0 0 "[ . 1 . 2]" 1
136 1 65 SER H 1 65 SER HB3 . . 2.990 2.941 2.738 3.021 0.031 15 0 "[ . 1 . 2]" 1
137 1 67 PHE H 1 68 THR H . . 3.230 2.963 2.753 3.057 . 0 0 "[ . 1 . 2]" 1
138 1 68 THR H 1 68 THR HB . . 3.600 2.266 2.134 2.370 . 0 0 "[ . 1 . 2]" 1
139 1 64 VAL H 1 64 VAL HB . . 3.130 2.431 2.214 2.621 . 0 0 "[ . 1 . 2]" 1
140 1 68 THR H 1 69 ALA H . . 3.260 2.722 2.612 2.787 . 0 0 "[ . 1 . 2]" 1
141 1 68 THR HB 1 69 ALA H . . 3.900 2.418 2.293 2.628 . 0 0 "[ . 1 . 2]" 1
142 1 71 PHE H 1 72 LEU H . . 3.420 2.903 2.723 3.038 . 0 0 "[ . 1 . 2]" 1
143 1 71 PHE H 1 73 ALA H . . 4.500 3.922 3.668 4.138 . 0 0 "[ . 1 . 2]" 1
144 1 70 PHE H 1 71 PHE H . . 3.290 2.621 2.507 2.747 . 0 0 "[ . 1 . 2]" 1
145 1 68 THR HB 1 71 PHE H . . 5.940 5.301 5.120 5.508 . 0 0 "[ . 1 . 2]" 1
146 1 71 PHE H 1 71 PHE HB2 . . 3.130 2.066 1.873 2.562 . 0 0 "[ . 1 . 2]" 1
147 1 71 PHE H 1 71 PHE HB3 . . 3.130 2.737 2.173 3.110 . 0 0 "[ . 1 . 2]" 1
148 1 72 LEU H 1 73 ALA H . . 3.260 2.801 2.609 2.953 . 0 0 "[ . 1 . 2]" 1
149 1 71 PHE HB2 1 72 LEU H . . 3.730 3.198 2.750 3.611 . 0 0 "[ . 1 . 2]" 1
150 1 71 PHE HB3 1 72 LEU H . . 3.730 2.056 1.936 2.435 . 0 0 "[ . 1 . 2]" 1
151 1 72 LEU H 1 72 LEU HA . . 3.060 2.744 2.686 2.814 . 0 0 "[ . 1 . 2]" 1
152 1 72 LEU H 1 72 LEU HB2 . . 3.260 2.014 1.977 2.144 . 0 0 "[ . 1 . 2]" 1
153 1 72 LEU H 1 72 LEU HB3 . . 3.260 3.127 2.770 3.268 0.008 8 0 "[ . 1 . 2]" 1
154 1 73 ALA H 1 73 ALA HA . . 3.130 2.762 2.711 2.803 . 0 0 "[ . 1 . 2]" 1
155 1 68 THR H 1 70 PHE H . . 3.930 3.963 3.908 3.988 0.058 11 0 "[ . 1 . 2]" 1
156 1 70 PHE H 1 70 PHE HB3 . . 3.260 3.043 2.855 3.284 0.024 10 0 "[ . 1 . 2]" 1
157 1 70 PHE H 1 70 PHE HB2 . . 3.260 1.927 1.885 1.954 . 0 0 "[ . 1 . 2]" 1
158 1 73 ALA H 1 74 THR H . . 3.600 2.881 2.728 3.106 . 0 0 "[ . 1 . 2]" 1
159 1 74 THR H 1 74 THR HB . . 3.130 2.238 2.097 2.421 . 0 0 "[ . 1 . 2]" 1
160 1 75 ILE H 1 75 ILE HA . . 3.020 2.763 2.675 2.902 . 0 0 "[ . 1 . 2]" 1
161 1 75 ILE H 1 75 ILE HB . . 2.990 2.336 2.153 2.444 . 0 0 "[ . 1 . 2]" 1
162 1 78 VAL H 1 78 VAL HB . . 3.130 2.372 2.129 2.603 . 0 0 "[ . 1 . 2]" 1
163 1 78 VAL H 1 79 ARG H . . 5.940 2.879 2.403 3.315 . 0 0 "[ . 1 . 2]" 1
164 1 79 ARG H 1 79 ARG HA . . 2.890 2.805 2.650 2.913 0.023 10 0 "[ . 1 . 2]" 1
165 1 89 ALA H 1 89 ALA HA . . 3.060 2.532 2.216 2.897 . 0 0 "[ . 1 . 2]" 1
166 1 88 PRO HA 1 89 ALA H . . 3.470 2.817 2.298 3.480 0.010 19 0 "[ . 1 . 2]" 1
167 1 89 ALA H 1 90 GLY H . . 3.760 3.083 2.293 3.721 . 0 0 "[ . 1 . 2]" 1
168 1 89 ALA HA 1 90 GLY H . . 3.830 3.630 3.605 3.642 . 0 0 "[ . 1 . 2]" 1
169 1 88 PRO HA 1 90 GLY H . . 3.660 3.671 3.466 3.755 0.095 15 0 "[ . 1 . 2]" 1
170 1 91 LEU HA 1 92 VAL H . . 3.870 3.627 3.603 3.640 . 0 0 "[ . 1 . 2]" 1
171 1 92 VAL H 1 92 VAL HB . . 3.260 2.623 2.263 3.513 0.253 5 0 "[ . 1 . 2]" 1
172 1 91 LEU HB2 1 92 VAL H . . 3.660 3.147 2.770 3.729 0.069 8 0 "[ . 1 . 2]" 1
173 1 91 LEU HB3 1 92 VAL H . . 3.660 2.242 1.930 2.711 . 0 0 "[ . 1 . 2]" 1
174 1 92 VAL H 1 93 ALA H . . 3.060 2.805 2.590 2.989 . 0 0 "[ . 1 . 2]" 1
175 1 93 ALA H 1 94 GLY H . . 3.530 2.788 2.636 2.910 . 0 0 "[ . 1 . 2]" 1
176 1 93 ALA H 1 93 ALA HA . . 3.130 2.727 2.674 2.787 . 0 0 "[ . 1 . 2]" 1
177 1 92 VAL HB 1 93 ALA H . . 3.930 2.714 2.224 3.633 . 0 0 "[ . 1 . 2]" 1
178 1 96 SER H 1 97 LEU H . . 3.930 2.728 2.616 2.852 . 0 0 "[ . 1 . 2]" 1
179 1 96 SER H 1 96 SER HA . . 2.930 2.792 2.762 2.814 . 0 0 "[ . 1 . 2]" 1
180 1 93 ALA HA 1 96 SER H . . 4.230 3.684 3.580 3.787 . 0 0 "[ . 1 . 2]" 1
181 1 96 SER H 1 96 SER HB2 . . 3.870 2.221 2.019 2.434 . 0 0 "[ . 1 . 2]" 1
182 1 96 SER H 1 96 SER HB3 . . 3.870 3.180 2.549 3.544 . 0 0 "[ . 1 . 2]" 1
183 1 97 LEU H 1 98 MET H . . 3.690 2.761 2.684 2.895 . 0 0 "[ . 1 . 2]" 1
184 1 98 MET H 1 99 MET H . . 3.470 2.752 2.538 2.920 . 0 0 "[ . 1 . 2]" 1
185 1 99 MET H 1 99 MET HA . . 3.020 2.703 2.644 2.750 . 0 0 "[ . 1 . 2]" 1
186 1 102 ARG H 1 102 ARG HB2 . . 3.660 2.170 2.100 2.257 . 0 0 "[ . 1 . 2]" 1
187 1 102 ARG H 1 102 ARG HB3 . . 3.660 3.307 3.237 3.401 . 0 0 "[ . 1 . 2]" 1
188 1 99 MET H 1 101 LEU H . . 4.630 4.302 4.042 4.495 . 0 0 "[ . 1 . 2]" 1
189 1 100 ILE H 1 101 LEU H . . 3.600 2.315 2.211 2.438 . 0 0 "[ . 1 . 2]" 1
190 1 98 MET H 1 100 ILE H . . 3.800 3.645 3.507 3.813 0.013 2 0 "[ . 1 . 2]" 1
191 1 100 ILE H 1 100 ILE HB . . 3.160 2.345 2.155 2.695 . 0 0 "[ . 1 . 2]" 1
192 1 97 LEU HA 1 100 ILE H . . 3.930 3.715 3.572 3.874 . 0 0 "[ . 1 . 2]" 1
193 1 101 LEU H 1 102 ARG H . . 3.960 2.610 2.411 2.753 . 0 0 "[ . 1 . 2]" 1
194 1 100 ILE H 1 102 ARG H . . 3.870 3.602 3.391 3.793 . 0 0 "[ . 1 . 2]" 1
195 1 107 LEU H 1 108 LEU H . . 2.890 2.612 1.898 2.997 0.107 6 0 "[ . 1 . 2]" 1
196 1 105 LEU H 1 106 LEU H . . 3.260 2.590 1.973 2.897 . 0 0 "[ . 1 . 2]" 1
197 1 105 LEU H 1 105 LEU HA . . 3.060 2.823 2.680 2.933 . 0 0 "[ . 1 . 2]" 1
198 1 104 VAL HB 1 105 LEU H . . 3.530 2.527 2.069 2.954 . 0 0 "[ . 1 . 2]" 1
199 1 105 LEU H 1 105 LEU HB3 . . 3.630 2.548 2.088 3.124 . 0 0 "[ . 1 . 2]" 1
200 1 106 LEU H 1 106 LEU HA . . 3.130 2.245 2.238 2.261 . 0 0 "[ . 1 . 2]" 1
201 1 106 LEU H 1 106 LEU HB2 . . 3.420 3.040 2.703 3.622 0.202 8 0 "[ . 1 . 2]" 1
202 1 106 LEU H 1 106 LEU HB3 . . 3.420 3.284 2.665 3.601 0.181 17 0 "[ . 1 . 2]" 1
203 1 108 LEU H 1 108 LEU HA . . 2.960 2.724 2.676 2.830 . 0 0 "[ . 1 . 2]" 1
204 1 108 LEU H 1 108 LEU HB3 . . 3.260 2.640 1.990 3.275 0.015 14 0 "[ . 1 . 2]" 1
205 1 108 LEU H 1 108 LEU HB2 . . 3.260 2.648 1.991 3.320 0.060 10 0 "[ . 1 . 2]" 1
206 1 107 LEU H 1 107 LEU HA . . 3.020 2.547 2.244 2.937 . 0 0 "[ . 1 . 2]" 1
207 1 107 LEU H 1 107 LEU HB3 . . 3.630 3.354 2.226 3.763 0.133 7 0 "[ . 1 . 2]" 1
208 1 13 ILE H 1 13 ILE HA . . 3.130 2.696 2.676 2.722 . 0 0 "[ . 1 . 2]" 1
209 1 13 ILE H 1 13 ILE HB . . 2.690 2.680 2.664 2.692 0.002 1 0 "[ . 1 . 2]" 1
210 1 14 GLY H 1 14 GLY HA3 . . 2.860 2.866 2.742 2.906 0.046 4 0 "[ . 1 . 2]" 1
211 1 17 TYR H 1 17 TYR HB3 . . 2.760 2.674 2.531 2.761 0.001 14 0 "[ . 1 . 2]" 1
212 1 17 TYR HB3 1 18 ALA H . . 3.530 2.238 2.013 2.456 . 0 0 "[ . 1 . 2]" 1
213 1 15 PHE HA 1 18 ALA H . . 3.730 3.520 3.300 3.700 . 0 0 "[ . 1 . 2]" 1
214 1 21 VAL HB 1 22 THR H . . 3.160 2.623 2.518 2.729 . 0 0 "[ . 1 . 2]" 1
215 1 22 THR HB 1 23 PHE H . . 3.160 2.907 2.810 2.994 . 0 0 "[ . 1 . 2]" 1
216 1 27 PHE HB3 1 28 GLY H . . 4.470 2.550 2.274 2.989 . 0 0 "[ . 1 . 2]" 1
217 1 29 TYR H 1 29 TYR HA . . 2.690 2.322 2.216 2.712 0.022 17 0 "[ . 1 . 2]" 1
218 1 34 GLY H 1 35 VAL H . . 3.200 2.940 2.325 3.204 0.004 9 0 "[ . 1 . 2]" 1
219 1 47 LEU HA 1 50 TYR H . . 4.090 3.664 3.269 4.100 0.010 20 0 "[ . 1 . 2]" 1
220 1 49 GLY HA3 1 50 TYR H . . 3.930 2.647 2.549 2.764 . 0 0 "[ . 1 . 2]" 1
221 1 73 ALA HA 1 76 MET H . . 3.900 3.918 3.906 3.946 0.046 12 0 "[ . 1 . 2]" 1
222 1 76 MET H 1 77 GLY H . . 4.170 2.970 2.532 3.289 . 0 0 "[ . 1 . 2]" 1
223 1 77 GLY H 1 78 VAL H . . 3.800 2.381 1.886 3.067 . 0 0 "[ . 1 . 2]" 1
224 1 79 ARG H 1 79 ARG HB2 . . 3.360 2.466 2.044 3.150 . 0 0 "[ . 1 . 2]" 1
225 1 79 ARG H 1 79 ARG HB3 . . 3.360 3.037 2.585 3.282 . 0 0 "[ . 1 . 2]" 1
226 1 78 VAL HB 1 79 ARG H . . 3.360 2.553 1.944 3.132 . 0 0 "[ . 1 . 2]" 1
227 1 103 LEU H 1 104 VAL H . . 3.200 2.647 2.552 2.741 . 0 0 "[ . 1 . 2]" 1
228 1 104 VAL H 1 106 LEU H . . 3.900 3.713 3.470 3.908 0.008 18 0 "[ . 1 . 2]" 1
229 1 102 ARG HB2 1 103 LEU H . . 3.100 2.910 2.721 3.049 . 0 0 "[ . 1 . 2]" 1
230 1 102 ARG HB3 1 103 LEU H . . 3.100 2.958 2.757 3.114 0.014 2 0 "[ . 1 . 2]" 1
231 1 100 ILE HA 1 103 LEU H . . 5.940 3.116 2.855 3.523 . 0 0 "[ . 1 . 2]" 1
232 1 102 ARG H 1 104 VAL H . . 3.420 3.402 3.261 3.458 0.038 1 0 "[ . 1 . 2]" 1
233 1 104 VAL H 1 104 VAL HB . . 3.100 2.146 2.076 2.289 . 0 0 "[ . 1 . 2]" 1
234 1 102 ARG HB2 1 104 VAL H . . 5.940 4.791 4.679 4.889 . 0 0 "[ . 1 . 2]" 1
235 1 102 ARG HB3 1 104 VAL H . . 5.940 4.678 4.598 4.732 . 0 0 "[ . 1 . 2]" 1
236 1 104 VAL H 1 105 LEU H . . 3.500 2.823 2.574 3.208 . 0 0 "[ . 1 . 2]" 1
237 1 105 LEU H 1 105 LEU HB2 . . 3.630 3.523 3.404 3.625 . 0 0 "[ . 1 . 2]" 1
238 1 106 LEU H 1 107 LEU H . . 3.060 3.012 2.927 3.085 0.025 19 0 "[ . 1 . 2]" 1
239 1 107 LEU H 1 107 LEU HB2 . . 3.630 3.463 2.209 3.917 0.287 11 0 "[ . 1 . 2]" 1
240 1 105 LEU H 1 108 LEU H . . 5.940 5.560 4.887 5.955 0.015 5 0 "[ . 1 . 2]" 1
241 1 63 LYS H 1 64 VAL H . . 3.290 2.730 2.534 2.933 . 0 0 "[ . 1 . 2]" 1
242 1 63 LYS HA 1 64 VAL H . . 3.530 3.608 3.574 3.630 0.100 10 0 "[ . 1 . 2]" 1
243 1 64 VAL HB 1 65 SER H . . 5.940 3.976 3.709 4.146 . 0 0 "[ . 1 . 2]" 1
244 1 62 VAL H 1 62 VAL HA . . 2.990 2.858 2.223 2.936 . 0 0 "[ . 1 . 2]" 1
245 1 80 PHE H 1 80 PHE HB2 . . 3.130 2.548 1.886 3.129 . 0 0 "[ . 1 . 2]" 1
246 1 80 PHE H 1 80 PHE HB3 . . 3.130 2.781 2.199 3.140 0.010 18 0 "[ . 1 . 2]" 1
247 1 91 LEU H 1 91 LEU HA . . 3.060 2.771 2.708 2.798 . 0 0 "[ . 1 . 2]" 1
248 1 91 LEU H 1 91 LEU HB3 . . 3.230 2.936 2.190 3.312 0.082 5 0 "[ . 1 . 2]" 1
249 1 91 LEU H 1 91 LEU HB2 . . 3.230 2.152 1.977 2.710 . 0 0 "[ . 1 . 2]" 1
250 1 92 VAL HA 1 94 GLY H . . 3.870 3.897 3.876 3.922 0.052 17 0 "[ . 1 . 2]" 1
251 1 94 GLY H 1 95 LEU H . . 2.990 2.590 2.499 2.658 . 0 0 "[ . 1 . 2]" 1
252 1 20 LEU HA 1 23 PHE H . . 3.130 3.133 3.122 3.143 0.013 2 0 "[ . 1 . 2]" 1
253 1 94 GLY HA2 1 95 LEU H . . 3.730 3.636 3.625 3.642 . 0 0 "[ . 1 . 2]" 1
254 1 94 GLY HA3 1 95 LEU H . . 3.730 2.790 2.734 2.863 . 0 0 "[ . 1 . 2]" 1
255 1 50 TYR HB3 1 51 GLY H . . 3.900 2.647 2.250 2.878 . 0 0 "[ . 1 . 2]" 1
256 1 54 ARG H 1 55 VAL H . . 3.760 2.164 1.848 3.072 . 0 0 "[ . 1 . 2]" 1
257 1 54 ARG H 1 54 ARG HB3 . . 3.730 3.336 2.768 3.878 0.148 6 0 "[ . 1 . 2]" 1
258 1 60 ARG HA 1 61 ASP H . . 3.830 2.681 2.229 3.647 . 0 0 "[ . 1 . 2]" 1
259 1 66 LEU HA 1 69 ALA H . . 3.330 3.353 3.338 3.375 0.045 15 0 "[ . 1 . 2]" 1
260 1 62 VAL HA 1 63 LYS H . . 3.360 3.457 3.406 3.630 0.270 18 0 "[ . 1 . 2]" 1
261 1 60 ARG H 1 60 ARG HB3 . . 3.420 3.069 2.600 3.568 0.148 16 0 "[ . 1 . 2]" 1
262 1 68 THR HA 1 71 PHE H . . 4.770 3.101 2.960 3.326 . 0 0 "[ . 1 . 2]" 1
263 1 62 VAL HA 1 65 SER H . . 3.870 2.901 2.768 3.029 . 0 0 "[ . 1 . 2]" 1
264 1 64 VAL HA 1 65 SER H . . 3.730 3.570 3.530 3.599 . 0 0 "[ . 1 . 2]" 1
265 1 68 THR HB 1 70 PHE H . . 5.940 4.896 4.839 5.030 . 0 0 "[ . 1 . 2]" 1
266 1 68 THR HA 1 70 PHE H . . 5.940 4.269 4.174 4.479 . 0 0 "[ . 1 . 2]" 1
267 1 69 ALA HA 1 71 PHE H . . 4.670 4.550 4.240 4.687 0.017 14 0 "[ . 1 . 2]" 1
268 1 70 PHE HB2 1 71 PHE H . . 3.290 3.123 2.738 3.318 0.028 11 0 "[ . 1 . 2]" 1
269 1 70 PHE HB3 1 71 PHE H . . 3.290 2.785 2.469 3.289 . 0 0 "[ . 1 . 2]" 1
270 1 67 PHE HA 1 70 PHE H . . 4.000 3.773 3.589 3.994 . 0 0 "[ . 1 . 2]" 1
271 1 62 VAL HA 1 64 VAL H . . 4.170 4.096 3.851 4.206 0.036 13 0 "[ . 1 . 2]" 1
272 1 54 ARG H 1 54 ARG HB2 . . 3.730 2.635 2.076 3.430 . 0 0 "[ . 1 . 2]" 1
273 1 54 ARG HB2 1 55 VAL H . . 3.930 3.845 3.390 4.014 0.084 6 0 "[ . 1 . 2]" 1
274 1 55 VAL HB 1 56 SER H . . 3.800 3.740 3.309 3.908 0.108 17 0 "[ . 1 . 2]" 1
275 1 39 ILE H 1 39 ILE HB . . 3.760 2.478 2.075 3.547 . 0 0 "[ . 1 . 2]" 1
276 1 50 TYR HA 1 51 GLY H . . 3.930 3.575 3.526 3.631 . 0 0 "[ . 1 . 2]" 1
277 1 71 PHE HA 1 74 THR H . . 4.140 3.578 3.254 3.785 . 0 0 "[ . 1 . 2]" 1
278 1 14 GLY H 1 16 GLY H . . 4.600 4.279 3.988 4.519 . 0 0 "[ . 1 . 2]" 1
279 1 13 ILE HA 1 15 PHE H . . 4.140 3.791 3.554 4.100 . 0 0 "[ . 1 . 2]" 1
280 1 24 GLY HA2 1 25 SER H . . 3.760 3.553 3.539 3.566 . 0 0 "[ . 1 . 2]" 1
281 1 90 GLY HA2 1 91 LEU H . . 3.600 3.577 3.472 3.642 0.042 8 0 "[ . 1 . 2]" 1
282 1 90 GLY HA3 1 91 LEU H . . 3.600 2.996 2.746 3.215 . 0 0 "[ . 1 . 2]" 1
283 1 88 PRO HA 1 91 LEU H . . 3.290 3.273 2.941 3.399 0.109 15 0 "[ . 1 . 2]" 1
284 1 32 ARG H 1 32 ARG HB2 . . 3.100 2.107 2.051 2.181 . 0 0 "[ . 1 . 2]" 1
285 1 32 ARG H 1 32 ARG HB3 . . 3.100 3.048 2.977 3.150 0.050 8 0 "[ . 1 . 2]" 1
286 1 34 GLY HA3 1 35 VAL H . . 3.630 3.340 2.412 3.644 0.014 16 0 "[ . 1 . 2]" 1
287 1 34 GLY HA2 1 35 VAL H . . 3.630 2.753 2.274 3.644 0.014 1 0 "[ . 1 . 2]" 1
288 1 63 LYS HA 1 66 LEU H . . 3.960 3.792 3.583 3.924 . 0 0 "[ . 1 . 2]" 1
289 1 20 LEU H 1 20 LEU HG . . 3.020 2.532 2.331 2.642 . 0 0 "[ . 1 . 2]" 1
290 1 20 LEU HG 1 21 VAL H . . 3.470 2.012 1.956 2.150 . 0 0 "[ . 1 . 2]" 1
291 1 26 ILE H 1 27 PHE QD . . 7.830 5.808 5.006 6.190 . 0 0 "[ . 1 . 2]" 1
292 1 28 GLY H 1 29 TYR QD . . 7.310 5.129 3.761 6.678 . 0 0 "[ . 1 . 2]" 1
293 1 26 ILE HG13 1 27 PHE H . . 5.140 4.510 4.252 4.918 . 0 0 "[ . 1 . 2]" 1
294 1 26 ILE H 1 26 ILE HG12 . . 4.770 2.961 2.073 3.693 . 0 0 "[ . 1 . 2]" 1
295 1 26 ILE H 1 26 ILE HG13 . . 4.770 2.829 2.108 3.670 . 0 0 "[ . 1 . 2]" 1
296 1 26 ILE HG12 1 27 PHE H . . 5.140 4.664 4.215 5.137 . 0 0 "[ . 1 . 2]" 1
297 1 29 TYR QD 1 30 LYS H . . 7.580 4.136 2.326 5.015 . 0 0 "[ . 1 . 2]" 1
298 1 38 LEU H 1 38 LEU HG . . 3.470 2.083 1.946 2.231 . 0 0 "[ . 1 . 2]" 1
299 1 38 LEU HG 1 40 ALA H . . 4.270 4.256 4.114 4.346 0.076 1 0 "[ . 1 . 2]" 1
300 1 42 LEU HG 1 43 PHE H . . 4.570 3.685 3.260 4.053 . 0 0 "[ . 1 . 2]" 1
301 1 42 LEU HG 1 45 GLY H . . 4.870 4.822 4.605 4.890 0.020 8 0 "[ . 1 . 2]" 1
302 1 47 LEU H 1 47 LEU HG . . 2.720 2.408 1.944 2.773 0.053 18 0 "[ . 1 . 2]" 1
303 1 50 TYR QD 1 51 GLY H . . 7.380 3.947 3.508 4.391 . 0 0 "[ . 1 . 2]" 1
304 1 60 ARG H 1 60 ARG HD2 . . 4.030 3.231 2.248 4.213 0.183 12 0 "[ . 1 . 2]" 1
305 1 75 ILE H 1 75 ILE HG13 . . 4.500 3.011 1.980 3.679 . 0 0 "[ . 1 . 2]" 1
306 1 75 ILE H 1 75 ILE HG12 . . 4.500 2.802 1.963 4.076 . 0 0 "[ . 1 . 2]" 1
307 1 95 LEU HG 1 96 SER H . . 4.200 2.123 1.971 2.383 . 0 0 "[ . 1 . 2]" 1
308 1 97 LEU H 1 97 LEU HG . . 4.300 3.876 3.022 4.294 . 0 0 "[ . 1 . 2]" 1
309 1 102 ARG H 1 102 ARG HG2 . . 4.170 3.758 3.389 4.178 0.008 3 0 "[ . 1 . 2]" 1
310 1 102 ARG H 1 102 ARG HG3 . . 4.170 4.016 3.717 4.175 0.005 20 0 "[ . 1 . 2]" 1
311 1 105 LEU H 1 105 LEU HG . . 3.560 2.670 2.000 3.321 . 0 0 "[ . 1 . 2]" 1
312 1 106 LEU H 1 106 LEU HG . . 4.000 4.093 4.049 4.109 0.109 12 0 "[ . 1 . 2]" 1
313 1 108 LEU H 1 108 LEU HG . . 3.420 3.423 3.381 3.442 0.022 6 0 "[ . 1 . 2]" 1
314 1 107 LEU H 1 107 LEU HG . . 2.930 2.432 1.940 2.965 0.035 11 0 "[ . 1 . 2]" 1
315 1 39 ILE H 1 39 ILE QG . . 4.070 3.618 1.954 4.041 . 0 0 "[ . 1 . 2]" 1
316 1 47 LEU HG 1 48 ALA H . . 3.600 2.612 1.963 3.636 0.036 20 0 "[ . 1 . 2]" 1
317 1 76 MET H 1 76 MET HG2 . . 4.500 3.638 2.294 4.449 . 0 0 "[ . 1 . 2]" 1
318 1 76 MET H 1 76 MET HG3 . . 4.500 3.303 2.520 4.027 . 0 0 "[ . 1 . 2]" 1
319 1 95 LEU H 1 95 LEU HG . . 3.470 3.198 2.978 3.465 . 0 0 "[ . 1 . 2]" 1
320 1 60 ARG H 1 60 ARG HD3 . . 4.030 3.552 2.488 4.181 0.151 19 0 "[ . 1 . 2]" 1
321 1 60 ARG HB2 1 60 ARG HE . . 2.590 2.420 2.067 2.645 0.055 18 0 "[ . 1 . 2]" 1
322 1 60 ARG HB3 1 60 ARG HE . . 2.590 2.258 1.946 2.595 0.005 3 0 "[ . 1 . 2]" 1
323 1 60 ARG HE 1 60 ARG HG2 . . 3.630 3.346 2.635 3.635 0.005 12 0 "[ . 1 . 2]" 1
324 1 60 ARG HE 1 60 ARG HG3 . . 3.630 3.005 2.640 3.637 0.007 16 0 "[ . 1 . 2]" 1
325 1 60 ARG H 1 60 ARG HG2 . . 3.530 2.339 1.867 3.520 . 0 0 "[ . 1 . 2]" 1
326 1 60 ARG H 1 60 ARG HG3 . . 3.530 2.774 1.893 3.543 0.013 18 0 "[ . 1 . 2]" 1
327 1 42 LEU H 1 42 LEU HG . . 4.360 4.356 4.301 4.391 0.031 20 0 "[ . 1 . 2]" 1
328 1 32 ARG H 1 32 ARG HE . . 5.940 5.376 4.395 5.917 . 0 0 "[ . 1 . 2]" 1
329 1 105 LEU HG 1 107 LEU H . . 3.500 2.400 1.941 3.338 . 0 0 "[ . 1 . 2]" 1
330 1 105 LEU HG 1 108 LEU H . . 4.200 3.807 3.165 4.214 0.014 10 0 "[ . 1 . 2]" 1
331 1 13 ILE MD 1 14 GLY H . . 4.370 3.670 3.557 3.891 . 0 0 "[ . 1 . 2]" 1
332 1 13 ILE MD 1 17 TYR H . . 6.720 2.920 2.310 3.439 . 0 0 "[ . 1 . 2]" 1
333 1 18 ALA MB 1 19 ALA H . . 3.900 2.968 2.754 3.080 . 0 0 "[ . 1 . 2]" 1
334 1 18 ALA MB 1 20 LEU H . . 5.210 5.107 4.952 5.210 . 9 0 "[ . 1 . 2]" 1
335 1 19 ALA MB 1 20 LEU H . . 4.540 2.207 2.060 2.468 . 0 0 "[ . 1 . 2]" 1
336 1 20 LEU H 1 20 LEU MD2 . . 4.470 3.066 2.887 3.238 . 0 0 "[ . 1 . 2]" 1
337 1 20 LEU H 1 20 LEU MD1 . . 4.470 3.899 3.765 3.968 . 0 0 "[ . 1 . 2]" 1
338 1 18 ALA MB 1 21 VAL H . . 4.680 4.663 4.602 4.682 0.002 8 0 "[ . 1 . 2]" 1
339 1 20 LEU MD1 1 21 VAL H . . 7.050 2.770 2.618 2.957 . 0 0 "[ . 1 . 2]" 1
340 1 21 VAL H 1 21 VAL MG1 . . 4.100 3.646 3.611 3.698 . 0 0 "[ . 1 . 2]" 1
341 1 21 VAL H 1 21 VAL MG2 . . 4.100 2.406 2.070 2.623 . 0 0 "[ . 1 . 2]" 1
342 1 20 LEU MD2 1 21 VAL H . . 7.050 3.744 3.683 3.868 . 0 0 "[ . 1 . 2]" 1
343 1 22 THR MG 1 23 PHE H . . 4.870 3.607 3.391 3.768 . 0 0 "[ . 1 . 2]" 1
344 1 26 ILE MD 1 27 PHE H . . 5.270 4.419 4.137 4.732 . 0 0 "[ . 1 . 2]" 1
345 1 26 ILE H 1 26 ILE MD . . 4.600 3.378 3.179 3.510 . 0 0 "[ . 1 . 2]" 1
346 1 40 ALA MB 1 41 GLY H . . 4.310 2.440 2.057 2.851 . 0 0 "[ . 1 . 2]" 1
347 1 39 ILE MD 1 41 GLY H . . 5.350 5.296 4.859 5.406 0.056 1 0 "[ . 1 . 2]" 1
348 1 42 LEU H 1 42 LEU MD1 . . 5.440 4.213 4.076 4.304 . 0 0 "[ . 1 . 2]" 1
349 1 42 LEU MD1 1 43 PHE H . . 6.650 4.723 4.451 4.917 . 0 0 "[ . 1 . 2]" 1
350 1 44 VAL MG1 1 45 GLY H . . 5.240 3.407 2.981 3.710 . 0 0 "[ . 1 . 2]" 1
351 1 44 VAL MG2 1 45 GLY H . . 5.240 4.077 3.938 4.229 . 0 0 "[ . 1 . 2]" 1
352 1 44 VAL H 1 44 VAL MG1 . . 4.500 3.663 3.599 3.702 . 0 0 "[ . 1 . 2]" 1
353 1 44 VAL H 1 44 VAL MG2 . . 4.500 2.314 1.993 2.614 . 0 0 "[ . 1 . 2]" 1
354 1 47 LEU H 1 47 LEU MD1 . . 5.240 3.782 3.443 4.026 . 0 0 "[ . 1 . 2]" 1
355 1 48 ALA MB 1 49 GLY H . . 4.370 2.493 2.341 2.645 . 0 0 "[ . 1 . 2]" 1
356 1 52 ALA MB 1 53 TYR H . . 4.470 2.707 2.271 3.285 . 0 0 "[ . 1 . 2]" 1
357 1 55 VAL H 1 55 VAL MG1 . . 4.270 3.480 2.694 4.059 . 0 0 "[ . 1 . 2]" 1
358 1 55 VAL MG1 1 56 SER H . . 4.840 3.393 2.369 4.050 . 0 0 "[ . 1 . 2]" 1
359 1 62 VAL MG1 1 63 LYS H . . 5.140 3.895 1.914 4.158 . 0 0 "[ . 1 . 2]" 1
360 1 62 VAL MG2 1 63 LYS H . . 5.140 4.024 3.716 4.306 . 0 0 "[ . 1 . 2]" 1
361 1 64 VAL MG1 1 65 SER H . . 5.040 2.069 1.969 2.215 . 0 0 "[ . 1 . 2]" 1
362 1 64 VAL MG2 1 65 SER H . . 5.040 3.888 3.712 4.255 . 0 0 "[ . 1 . 2]" 1
363 1 68 THR MG 1 69 ALA H . . 5.510 3.140 2.921 3.374 . 0 0 "[ . 1 . 2]" 1
364 1 69 ALA MB 1 70 PHE H . . 4.230 2.627 2.518 2.734 . 0 0 "[ . 1 . 2]" 1
365 1 74 THR H 1 74 THR MG . . 4.540 3.372 2.232 3.680 . 0 0 "[ . 1 . 2]" 1
366 1 75 ILE H 1 75 ILE MD . . 4.870 3.456 3.075 3.940 . 0 0 "[ . 1 . 2]" 1
367 1 89 ALA MB 1 90 GLY H . . 4.570 2.354 2.143 2.624 . 0 0 "[ . 1 . 2]" 1
368 1 92 VAL MG1 1 93 ALA H . . 6.650 3.368 2.855 4.171 . 0 0 "[ . 1 . 2]" 1
369 1 93 ALA MB 1 94 GLY H . . 4.740 2.797 2.759 2.834 . 0 0 "[ . 1 . 2]" 1
370 1 95 LEU MD2 1 96 SER H . . 5.810 3.716 3.590 3.819 . 0 0 "[ . 1 . 2]" 1
371 1 98 MET H 1 98 MET ME . . 4.440 4.414 4.266 4.482 0.042 19 0 "[ . 1 . 2]" 1
372 1 99 MET H 1 99 MET ME . . 4.710 4.495 3.471 4.779 0.069 3 0 "[ . 1 . 2]" 1
373 1 101 LEU MD2 1 102 ARG H . . 6.240 2.971 2.302 4.488 . 0 0 "[ . 1 . 2]" 1
374 1 101 LEU MD1 1 102 ARG H . . 6.240 4.608 3.176 5.057 . 0 0 "[ . 1 . 2]" 1
375 1 98 MET ME 1 101 LEU H . . 4.440 4.369 4.023 4.531 0.091 20 0 "[ . 1 . 2]" 1
376 1 101 LEU H 1 101 LEU MD1 . . 4.810 4.179 3.743 4.301 . 0 0 "[ . 1 . 2]" 1
377 1 101 LEU H 1 101 LEU MD2 . . 4.810 3.383 3.030 3.645 . 0 0 "[ . 1 . 2]" 1
378 1 100 ILE H 1 100 ILE MG . . 4.570 2.817 1.954 3.699 . 0 0 "[ . 1 . 2]" 1
379 1 99 MET ME 1 100 ILE H . . 5.650 4.372 3.193 5.410 . 0 0 "[ . 1 . 2]" 1
380 1 105 LEU H 1 105 LEU MD1 . . 4.540 3.981 3.654 4.287 . 0 0 "[ . 1 . 2]" 1
381 1 106 LEU H 1 106 LEU MD1 . . 4.740 4.478 4.197 4.696 . 0 0 "[ . 1 . 2]" 1
382 1 105 LEU H 1 105 LEU MD2 . . 4.540 2.366 1.862 3.028 . 0 0 "[ . 1 . 2]" 1
383 1 106 LEU H 1 106 LEU MD2 . . 4.740 4.382 3.964 4.659 . 0 0 "[ . 1 . 2]" 1
384 1 107 LEU H 1 107 LEU MD1 . . 4.680 3.661 2.972 4.115 . 0 0 "[ . 1 . 2]" 1
385 1 107 LEU H 1 107 LEU MD2 . . 4.680 3.471 2.348 4.025 . 0 0 "[ . 1 . 2]" 1
386 1 13 ILE MG 1 14 GLY H . . 4.370 1.892 1.856 1.920 . 0 0 "[ . 1 . 2]" 1
387 1 13 ILE H 1 13 ILE MD . . 5.480 4.282 4.260 4.308 . 0 0 "[ . 1 . 2]" 1
388 1 22 THR H 1 22 THR MG . . 4.540 3.665 3.648 3.675 . 0 0 "[ . 1 . 2]" 1
389 1 21 VAL MG1 1 22 THR H . . 4.710 3.010 2.803 3.427 . 0 0 "[ . 1 . 2]" 1
390 1 21 VAL MG2 1 22 THR H . . 4.710 4.029 3.874 4.101 . 0 0 "[ . 1 . 2]" 1
391 1 26 ILE MG 1 27 PHE H . . 4.230 3.033 2.727 3.417 . 0 0 "[ . 1 . 2]" 1
392 1 39 ILE H 1 39 ILE MD . . 5.510 3.811 1.870 4.308 . 0 0 "[ . 1 . 2]" 1
393 1 55 VAL H 1 55 VAL MG2 . . 4.270 3.039 1.992 3.615 . 0 0 "[ . 1 . 2]" 1
394 1 55 VAL MG2 1 56 SER H . . 4.840 4.367 4.067 4.519 . 0 0 "[ . 1 . 2]" 1
395 1 76 MET H 1 76 MET ME . . 4.570 4.133 2.899 4.562 . 0 0 "[ . 1 . 2]" 1
396 1 103 LEU H 1 103 LEU MD1 . . 5.140 4.011 3.217 4.295 . 0 0 "[ . 1 . 2]" 1
397 1 66 LEU H 1 66 LEU MD2 . . 5.780 4.070 3.001 4.416 . 0 0 "[ . 1 . 2]" 1
398 1 66 LEU H 1 66 LEU MD1 . . 5.780 3.997 3.426 4.252 . 0 0 "[ . 1 . 2]" 1
399 1 91 LEU H 1 91 LEU MD1 . . 5.010 3.804 2.766 4.254 . 0 0 "[ . 1 . 2]" 1
400 1 95 LEU H 1 95 LEU MD1 . . 5.310 4.158 4.026 4.300 . 0 0 "[ . 1 . 2]" 1
401 1 103 LEU H 1 103 LEU MD2 . . 5.140 4.114 3.712 4.417 . 0 0 "[ . 1 . 2]" 1
402 1 40 ALA H 1 89 ALA MB . . 7.050 7.065 6.942 7.147 0.097 15 0 "[ . 1 . 2]" 1
403 1 91 LEU H 1 91 LEU MD2 . . 5.010 3.762 2.633 4.416 . 0 0 "[ . 1 . 2]" 1
404 1 52 ALA MB 1 60 ARG H . . 7.050 6.563 4.118 7.071 0.021 20 0 "[ . 1 . 2]" 1
405 1 69 ALA MB 1 71 PHE H . . 6.210 4.566 4.375 4.676 . 0 0 "[ . 1 . 2]" 1
406 1 48 ALA H 1 101 LEU MD1 . . 7.050 7.016 6.715 7.060 0.010 20 0 "[ . 1 . 2]" 1
407 1 95 LEU H 1 95 LEU MD2 . . 5.310 3.543 3.332 3.718 . 0 0 "[ . 1 . 2]" 1
408 1 95 LEU MD1 1 96 SER H . . 5.810 3.166 2.683 3.686 . 0 0 "[ . 1 . 2]" 1
409 1 47 LEU H 1 47 LEU MD2 . . 5.240 2.999 1.945 3.540 . 0 0 "[ . 1 . 2]" 1
410 1 55 VAL MG1 1 60 ARG H . . 5.610 4.267 2.714 5.635 0.025 20 0 "[ . 1 . 2]" 1
411 1 55 VAL MG2 1 60 ARG H . . 5.610 5.025 2.878 5.626 0.016 18 0 "[ . 1 . 2]" 1
412 1 62 VAL H 1 98 MET ME . . 5.080 4.746 3.561 5.087 0.007 4 0 "[ . 1 . 2]" 1
413 1 92 VAL MG2 1 93 ALA H . . 6.650 3.394 1.872 4.058 . 0 0 "[ . 1 . 2]" 1
414 1 100 ILE H 1 100 ILE MD . . 4.840 3.846 3.359 4.316 . 0 0 "[ . 1 . 2]" 1
415 1 42 LEU H 1 42 LEU MD2 . . 5.440 4.005 3.819 4.161 . 0 0 "[ . 1 . 2]" 1
416 1 42 LEU MD2 1 43 PHE H . . 6.650 3.129 2.650 3.641 . 0 0 "[ . 1 . 2]" 1
417 1 48 ALA H 1 101 LEU MD2 . . 7.050 6.588 5.760 6.739 . 0 0 "[ . 1 . 2]" 1
418 1 63 LYS H 1 98 MET ME . . 6.480 5.737 4.960 6.486 0.006 19 0 "[ . 1 . 2]" 1
419 1 12 LEU H 1 12 LEU QB . . 3.800 2.132 1.972 2.344 . 0 0 "[ . 1 . 2]" 1
420 1 13 ILE H 1 13 ILE QG . . 4.880 3.887 3.880 3.901 . 0 0 "[ . 1 . 2]" 1
421 1 13 ILE QG 1 14 GLY H . . 4.240 1.985 1.929 2.246 . 0 0 "[ . 1 . 2]" 1
422 1 13 ILE QG 1 16 GLY H . . 4.310 2.025 1.899 2.244 . 0 0 "[ . 1 . 2]" 1
423 1 13 ILE QG 1 17 TYR H . . 5.140 2.319 1.915 3.154 . 0 0 "[ . 1 . 2]" 1
424 1 13 ILE QG 1 18 ALA H . . 4.640 4.522 4.245 4.642 0.002 8 0 "[ . 1 . 2]" 1
425 1 14 GLY QA 1 17 TYR H . . 4.640 3.787 3.492 4.187 . 0 0 "[ . 1 . 2]" 1
426 1 17 TYR QB 1 18 ALA H . . 3.280 2.210 2.000 2.408 . 0 0 "[ . 1 . 2]" 1
427 1 20 LEU H 1 20 LEU QB . . 3.750 2.272 2.210 2.352 . 0 0 "[ . 1 . 2]" 1
428 1 20 LEU QB 1 21 VAL H . . 3.910 3.511 3.487 3.546 . 0 0 "[ . 1 . 2]" 1
429 1 21 VAL H 1 21 VAL QG . . 3.570 2.372 2.060 2.564 . 0 0 "[ . 1 . 2]" 1
430 1 21 VAL QG 1 22 THR H . . 4.310 2.925 2.754 3.211 . 0 0 "[ . 1 . 2]" 1
431 1 21 VAL QG 1 25 SER H . . 8.070 4.048 3.967 4.129 . 0 0 "[ . 1 . 2]" 1
432 1 23 PHE H 1 23 PHE QB . . 2.790 1.994 1.933 2.091 . 0 0 "[ . 1 . 2]" 1
433 1 23 PHE QB 1 24 GLY H . . 4.770 2.169 2.087 2.258 . 0 0 "[ . 1 . 2]" 1
434 1 24 GLY QA 1 25 SER H . . 3.480 2.899 2.883 2.915 . 0 0 "[ . 1 . 2]" 1
435 1 25 SER H 1 25 SER QB . . 2.760 2.012 2.004 2.029 . 0 0 "[ . 1 . 2]" 1
436 1 25 SER QB 1 26 ILE H . . 2.890 2.553 2.441 2.654 . 0 0 "[ . 1 . 2]" 1
437 1 26 ILE H 1 26 ILE QG . . 3.960 2.198 2.053 2.329 . 0 0 "[ . 1 . 2]" 1
438 1 26 ILE QG 1 27 PHE H . . 4.860 4.035 3.911 4.175 . 0 0 "[ . 1 . 2]" 1
439 1 26 ILE QG 1 28 GLY H . . 5.710 5.623 5.388 5.711 0.001 6 0 "[ . 1 . 2]" 1
440 1 27 PHE QB 1 28 GLY H . . 4.040 2.440 2.239 2.679 . 0 0 "[ . 1 . 2]" 1
441 1 29 TYR H 1 29 TYR QB . . 3.720 2.749 1.950 3.010 . 0 0 "[ . 1 . 2]" 1
442 1 29 TYR QB 1 30 LYS H . . 3.970 3.783 2.953 3.991 0.021 5 0 "[ . 1 . 2]" 1
443 1 30 LYS H 1 30 LYS QB . . 2.750 2.071 2.023 2.190 . 0 0 "[ . 1 . 2]" 1
444 1 30 LYS H 1 30 LYS QG . . 3.910 3.792 3.672 3.920 0.010 2 0 "[ . 1 . 2]" 1
445 1 32 ARG H 1 32 ARG QB . . 2.870 2.071 2.021 2.144 . 0 0 "[ . 1 . 2]" 1
446 1 32 ARG H 1 32 ARG QG . . 3.640 3.640 3.569 3.706 0.066 17 0 "[ . 1 . 2]" 1
447 1 32 ARG H 1 32 ARG QD . . 5.140 4.642 4.233 4.857 . 0 0 "[ . 1 . 2]" 1
448 1 32 ARG QG 1 33 GLY H . . 4.470 3.363 2.048 4.459 . 0 0 "[ . 1 . 2]" 1
449 1 33 GLY H 1 33 GLY QA . . 2.750 2.287 2.152 2.486 . 0 0 "[ . 1 . 2]" 1
450 1 34 GLY QA 1 35 VAL H . . 3.300 2.448 2.247 2.782 . 0 0 "[ . 1 . 2]" 1
451 1 38 LEU H 1 38 LEU QB . . 3.770 2.623 2.478 2.724 . 0 0 "[ . 1 . 2]" 1
452 1 38 LEU QB 1 40 ALA H . . 5.040 4.759 4.468 4.916 . 0 0 "[ . 1 . 2]" 1
453 1 40 ALA H 1 78 VAL QG . . 6.860 6.853 6.505 6.890 0.030 9 0 "[ . 1 . 2]" 1
454 1 41 GLY QA 1 43 PHE H . . 5.280 4.161 3.984 4.523 . 0 0 "[ . 1 . 2]" 1
455 1 42 LEU H 1 42 LEU QB . . 3.140 2.147 2.103 2.177 . 0 0 "[ . 1 . 2]" 1
456 1 42 LEU H 1 42 LEU QD . . 5.070 3.649 3.572 3.688 . 0 0 "[ . 1 . 2]" 1
457 1 42 LEU QB 1 43 PHE H . . 4.020 2.613 2.404 2.816 . 0 0 "[ . 1 . 2]" 1
458 1 42 LEU QD 1 43 PHE H . . 6.150 3.084 2.631 3.546 . 0 0 "[ . 1 . 2]" 1
459 1 43 PHE QB 1 44 VAL H . . 3.490 2.230 2.041 2.486 . 0 0 "[ . 1 . 2]" 1
460 1 44 VAL H 1 44 VAL QG . . 3.840 2.287 1.985 2.555 . 0 0 "[ . 1 . 2]" 1
461 1 44 VAL H 1 64 VAL QG . . 7.700 7.571 6.808 7.771 0.071 15 0 "[ . 1 . 2]" 1
462 1 44 VAL QG 1 45 GLY H . . 4.620 3.230 2.920 3.424 . 0 0 "[ . 1 . 2]" 1
463 1 44 VAL QG 1 46 CYS H . . 7.930 4.601 4.378 4.739 . 0 0 "[ . 1 . 2]" 1
464 1 44 VAL QG 1 73 ALA H . . 6.830 5.246 4.485 6.078 . 0 0 "[ . 1 . 2]" 1
465 1 44 VAL QG 1 74 THR H . . 8.530 7.306 6.552 8.044 . 0 0 "[ . 1 . 2]" 1
466 1 45 GLY H 1 45 GLY QA . . 2.790 2.175 2.165 2.186 . 0 0 "[ . 1 . 2]" 1
467 1 45 GLY H 1 64 VAL QG . . 6.890 6.797 6.181 6.937 0.047 18 0 "[ . 1 . 2]" 1
468 1 46 CYS H 1 46 CYS QB . . 3.420 2.073 2.026 2.167 . 0 0 "[ . 1 . 2]" 1
469 1 46 CYS QB 1 47 LEU H . . 4.040 2.567 2.291 2.791 . 0 0 "[ . 1 . 2]" 1
470 1 47 LEU H 1 47 LEU QB . . 3.730 2.376 2.168 2.775 . 0 0 "[ . 1 . 2]" 1
471 1 47 LEU H 1 47 LEU QD . . 4.650 2.860 1.937 3.279 . 0 0 "[ . 1 . 2]" 1
472 1 47 LEU QD 1 48 ALA H . . 7.780 3.065 2.473 3.846 . 0 0 "[ . 1 . 2]" 1
473 1 48 ALA H 1 101 LEU QD . . 6.070 6.033 5.511 6.089 0.019 12 0 "[ . 1 . 2]" 1
474 1 49 GLY H 1 49 GLY QA . . 2.750 2.171 2.159 2.194 . 0 0 "[ . 1 . 2]" 1
475 1 49 GLY QA 1 52 ALA H . . 4.850 3.491 2.952 4.148 . 0 0 "[ . 1 . 2]" 1
476 1 50 TYR QB 1 51 GLY H . . 3.510 2.597 2.226 2.807 . 0 0 "[ . 1 . 2]" 1
477 1 51 GLY QA 1 53 TYR H . . 4.410 3.904 3.377 4.494 0.084 6 0 "[ . 1 . 2]" 1
478 1 53 TYR H 1 53 TYR QB . . 3.630 2.315 1.863 2.946 . 0 0 "[ . 1 . 2]" 1
479 1 54 ARG H 1 54 ARG QG . . 4.770 3.919 3.361 4.345 . 0 0 "[ . 1 . 2]" 1
480 1 54 ARG QB 1 55 VAL H . . 3.720 3.262 2.736 3.552 . 0 0 "[ . 1 . 2]" 1
481 1 54 ARG QG 1 55 VAL H . . 5.520 4.587 4.113 4.842 . 0 0 "[ . 1 . 2]" 1
482 1 58 ASP H 1 58 ASP QB . . 2.780 2.318 1.994 2.800 0.020 4 0 "[ . 1 . 2]" 1
483 1 58 ASP QB 1 59 LYS H . . 3.690 3.004 1.907 3.609 . 0 0 "[ . 1 . 2]" 1
484 1 59 LYS H 1 59 LYS QB . . 3.540 2.817 2.132 3.229 . 0 0 "[ . 1 . 2]" 1
485 1 60 ARG H 1 60 ARG QB . . 3.160 2.628 2.507 2.758 . 0 0 "[ . 1 . 2]" 1
486 1 60 ARG H 1 60 ARG QG . . 3.260 1.915 1.772 2.095 . 0 0 "[ . 1 . 2]" 1
487 1 62 VAL QG 1 63 LYS H . . 4.720 3.480 1.911 3.636 . 0 0 "[ . 1 . 2]" 1
488 1 63 LYS H 1 63 LYS QB . . 3.610 2.084 1.988 2.230 . 0 0 "[ . 1 . 2]" 1
489 1 63 LYS H 1 63 LYS QG . . 3.940 3.378 2.622 3.950 0.010 13 0 "[ . 1 . 2]" 1
490 1 63 LYS H 1 63 LYS QD . . 4.580 3.829 2.543 4.508 . 0 0 "[ . 1 . 2]" 1
491 1 63 LYS QB 1 64 VAL H . . 3.740 2.730 2.534 2.897 . 0 0 "[ . 1 . 2]" 1
492 1 63 LYS QB 1 65 SER H . . 5.080 4.596 4.444 4.762 . 0 0 "[ . 1 . 2]" 1
493 1 63 LYS QG 1 65 SER H . . 6.050 5.594 5.078 5.876 . 0 0 "[ . 1 . 2]" 1
494 1 64 VAL QG 1 100 ILE H . . 8.070 7.969 7.711 8.115 0.045 11 0 "[ . 1 . 2]" 1
495 1 65 SER QB 1 67 PHE H . . 4.740 4.736 4.634 4.791 0.051 11 0 "[ . 1 . 2]" 1
496 1 67 PHE H 1 67 PHE QB . . 3.600 2.101 1.890 2.168 . 0 0 "[ . 1 . 2]" 1
497 1 67 PHE QB 1 68 THR H . . 4.340 2.579 2.415 2.804 . 0 0 "[ . 1 . 2]" 1
498 1 70 PHE H 1 70 PHE QB . . 2.970 1.906 1.869 1.922 . 0 0 "[ . 1 . 2]" 1
499 1 71 PHE H 1 92 VAL QG . . 6.830 6.858 6.830 6.895 0.065 15 0 "[ . 1 . 2]" 1
500 1 71 PHE QB 1 72 LEU H . . 3.330 2.026 1.914 2.310 . 0 0 "[ . 1 . 2]" 1
501 1 72 LEU H 1 72 LEU QB . . 2.970 1.989 1.959 2.075 . 0 0 "[ . 1 . 2]" 1
502 1 72 LEU QB 1 73 ALA H . . 4.100 2.766 2.522 2.903 . 0 0 "[ . 1 . 2]" 1
503 1 73 ALA H 1 92 VAL QG . . 8.000 5.836 5.570 6.269 . 0 0 "[ . 1 . 2]" 1
504 1 74 THR H 1 91 LEU QD . . 7.940 4.457 4.062 5.308 . 0 0 "[ . 1 . 2]" 1
505 1 75 ILE H 1 75 ILE QG . . 3.860 2.241 1.947 2.835 . 0 0 "[ . 1 . 2]" 1
506 1 75 ILE H 1 91 LEU QD . . 7.200 5.150 4.625 5.640 . 0 0 "[ . 1 . 2]" 1
507 1 76 MET H 1 76 MET QG . . 4.170 2.985 2.226 3.680 . 0 0 "[ . 1 . 2]" 1
508 1 78 VAL H 1 78 VAL QG . . 4.270 2.185 1.916 2.650 . 0 0 "[ . 1 . 2]" 1
509 1 78 VAL QG 1 79 ARG H . . 6.520 3.057 2.693 3.448 . 0 0 "[ . 1 . 2]" 1
510 1 79 ARG H 1 91 LEU QD . . 8.750 6.093 2.684 8.507 . 0 0 "[ . 1 . 2]" 1
511 1 80 PHE H 1 80 PHE QB . . 2.830 2.313 1.868 2.789 . 0 0 "[ . 1 . 2]" 1
512 1 88 PRO QB 1 89 ALA H . . 4.300 3.001 1.902 4.074 . 0 0 "[ . 1 . 2]" 1
513 1 88 PRO QG 1 89 ALA H . . 5.010 3.967 2.202 4.994 . 0 0 "[ . 1 . 2]" 1
514 1 90 GLY QA 1 92 VAL H . . 5.110 4.771 4.460 5.059 . 0 0 "[ . 1 . 2]" 1
515 1 91 LEU H 1 91 LEU QB . . 2.930 2.035 1.959 2.170 . 0 0 "[ . 1 . 2]" 1
516 1 91 LEU H 1 91 LEU QD . . 4.470 3.234 2.595 3.718 . 0 0 "[ . 1 . 2]" 1
517 1 91 LEU QB 1 92 VAL H . . 3.320 2.170 1.921 2.479 . 0 0 "[ . 1 . 2]" 1
518 1 91 LEU QD 1 92 VAL H . . 7.870 3.336 1.924 3.987 . 0 0 "[ . 1 . 2]" 1
519 1 92 VAL QG 1 93 ALA H . . 6.360 2.717 1.870 3.161 . 0 0 "[ . 1 . 2]" 1
520 1 94 GLY QA 1 97 LEU H . . 5.110 3.321 3.165 3.471 . 0 0 "[ . 1 . 2]" 1
521 1 95 LEU H 1 95 LEU QB . . 3.600 2.025 1.968 2.094 . 0 0 "[ . 1 . 2]" 1
522 1 95 LEU H 1 95 LEU QD . . 4.770 3.354 3.195 3.475 . 0 0 "[ . 1 . 2]" 1
523 1 95 LEU QB 1 96 SER H . . 4.440 3.366 3.240 3.469 . 0 0 "[ . 1 . 2]" 1
524 1 95 LEU QB 1 97 LEU H . . 6.890 5.418 5.257 5.552 . 0 0 "[ . 1 . 2]" 1
525 1 95 LEU QD 1 96 SER H . . 5.250 2.984 2.632 3.293 . 0 0 "[ . 1 . 2]" 1
526 1 95 LEU QD 1 97 LEU H . . 8.110 4.757 4.492 5.008 . 0 0 "[ . 1 . 2]" 1
527 1 96 SER H 1 96 SER QB . . 3.540 2.162 1.999 2.331 . 0 0 "[ . 1 . 2]" 1
528 1 97 LEU H 1 97 LEU QB . . 3.860 2.000 1.959 2.120 . 0 0 "[ . 1 . 2]" 1
529 1 97 LEU QB 1 98 MET H . . 4.950 3.054 2.776 3.166 . 0 0 "[ . 1 . 2]" 1
530 1 99 MET H 1 99 MET QB . . 3.870 2.243 2.090 2.482 . 0 0 "[ . 1 . 2]" 1
531 1 100 ILE H 1 100 ILE QG . . 4.180 3.497 2.453 4.071 . 0 0 "[ . 1 . 2]" 1
532 1 101 LEU H 1 101 LEU QB . . 3.630 2.075 1.989 2.293 . 0 0 "[ . 1 . 2]" 1
533 1 101 LEU QD 1 102 ARG H . . 5.640 2.720 2.297 3.452 . 0 0 "[ . 1 . 2]" 1
534 1 102 ARG H 1 102 ARG QB . . 3.180 2.142 2.079 2.216 . 0 0 "[ . 1 . 2]" 1
535 1 102 ARG H 1 102 ARG QG . . 3.640 3.432 3.217 3.644 0.004 20 0 "[ . 1 . 2]" 1
536 1 102 ARG QB 1 103 LEU H . . 2.870 2.608 2.448 2.734 . 0 0 "[ . 1 . 2]" 1
537 1 102 ARG HE 1 102 ARG QG . . 3.910 2.361 2.055 2.896 . 0 0 "[ . 1 . 2]" 1
538 1 103 LEU H 1 103 LEU QB . . 3.800 2.134 1.983 2.210 . 0 0 "[ . 1 . 2]" 1
539 1 103 LEU H 1 103 LEU QD . . 4.400 3.583 3.144 3.683 . 0 0 "[ . 1 . 2]" 1
540 1 103 LEU QB 1 104 VAL H . . 4.100 3.221 3.077 3.475 . 0 0 "[ . 1 . 2]" 1
541 1 103 LEU QB 1 105 LEU H . . 6.890 5.415 4.831 5.811 . 0 0 "[ . 1 . 2]" 1
542 1 104 VAL QG 1 105 LEU H . . 7.400 2.565 2.238 3.043 . 0 0 "[ . 1 . 2]" 1
543 1 105 LEU H 1 105 LEU QD . . 4.100 2.345 1.859 2.970 . 0 0 "[ . 1 . 2]" 1
544 1 106 LEU H 1 106 LEU QB . . 3.200 2.649 2.598 2.672 . 0 0 "[ . 1 . 2]" 1
545 1 107 LEU H 1 107 LEU QB . . 3.080 2.912 2.186 3.295 0.215 6 0 "[ . 1 . 2]" 1
546 1 107 LEU H 1 107 LEU QD . . 4.270 3.101 2.334 3.557 . 0 0 "[ . 1 . 2]" 1
547 1 108 LEU H 1 108 LEU QB . . 2.790 1.992 1.974 2.009 . 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 88
_Distance_constraint_stats_list.Viol_count 1608
_Distance_constraint_stats_list.Viol_total 5582.212
_Distance_constraint_stats_list.Viol_max 0.315
_Distance_constraint_stats_list.Viol_rms 0.0876
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1586
_Distance_constraint_stats_list.Viol_average_violations_only 0.1736
_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 TYR 8.073 0.280 9 0 "[ . 1 . 2]"
1 18 ALA 5.749 0.259 19 0 "[ . 1 . 2]"
1 19 ALA 7.647 0.226 13 0 "[ . 1 . 2]"
1 20 LEU 1.868 0.109 3 0 "[ . 1 . 2]"
1 21 VAL 14.579 0.280 9 0 "[ . 1 . 2]"
1 22 THR 13.996 0.290 8 0 "[ . 1 . 2]"
1 23 PHE 14.480 0.291 5 0 "[ . 1 . 2]"
1 24 GLY 8.193 0.230 18 0 "[ . 1 . 2]"
1 25 SER 6.507 0.211 13 0 "[ . 1 . 2]"
1 26 ILE 8.247 0.290 8 0 "[ . 1 . 2]"
1 27 PHE 6.833 0.291 5 0 "[ . 1 . 2]"
1 28 GLY 6.325 0.230 18 0 "[ . 1 . 2]"
1 37 SER 7.114 0.252 12 0 "[ . 1 . 2]"
1 38 LEU 6.450 0.303 20 0 "[ . 1 . 2]"
1 39 ILE 7.927 0.306 20 0 "[ . 1 . 2]"
1 40 ALA 9.681 0.312 1 0 "[ . 1 . 2]"
1 41 GLY 12.774 0.269 18 0 "[ . 1 . 2]"
1 42 LEU 10.360 0.303 20 0 "[ . 1 . 2]"
1 43 PHE 12.793 0.306 20 0 "[ . 1 . 2]"
1 44 VAL 15.215 0.312 1 0 "[ . 1 . 2]"
1 45 GLY 12.202 0.286 6 0 "[ . 1 . 2]"
1 46 CYS 10.226 0.295 9 0 "[ . 1 . 2]"
1 47 LEU 9.799 0.232 9 0 "[ . 1 . 2]"
1 48 ALA 11.025 0.290 13 0 "[ . 1 . 2]"
1 49 GLY 13.342 0.305 18 0 "[ . 1 . 2]"
1 50 TYR 6.316 0.295 9 0 "[ . 1 . 2]"
1 51 GLY 4.933 0.211 16 0 "[ . 1 . 2]"
1 52 ALA 5.492 0.290 13 0 "[ . 1 . 2]"
1 53 TYR 6.800 0.305 18 0 "[ . 1 . 2]"
1 62 VAL 9.007 0.312 11 0 "[ . 1 . 2]"
1 63 LYS 6.971 0.272 13 0 "[ . 1 . 2]"
1 64 VAL 1.463 0.205 2 0 "[ . 1 . 2]"
1 65 SER 9.121 0.315 15 0 "[ . 1 . 2]"
1 66 LEU 11.947 0.312 11 0 "[ . 1 . 2]"
1 67 PHE 15.340 0.274 14 0 "[ . 1 . 2]"
1 68 THR 1.827 0.205 2 0 "[ . 1 . 2]"
1 69 ALA 18.027 0.315 15 0 "[ . 1 . 2]"
1 70 PHE 10.453 0.306 10 0 "[ . 1 . 2]"
1 71 PHE 12.336 0.288 6 0 "[ . 1 . 2]"
1 72 LEU 1.325 0.088 12 0 "[ . 1 . 2]"
1 73 ALA 14.058 0.288 8 0 "[ . 1 . 2]"
1 74 THR 7.513 0.306 10 0 "[ . 1 . 2]"
1 75 ILE 3.967 0.288 6 0 "[ . 1 . 2]"
1 76 MET 0.962 0.088 12 0 "[ . 1 . 2]"
1 77 GLY 5.152 0.288 8 0 "[ . 1 . 2]"
1 89 ALA 6.750 0.275 14 0 "[ . 1 . 2]"
1 90 GLY 3.887 0.231 10 0 "[ . 1 . 2]"
1 91 LEU 9.775 0.301 12 0 "[ . 1 . 2]"
1 92 VAL 8.828 0.301 3 0 "[ . 1 . 2]"
1 93 ALA 17.005 0.313 20 0 "[ . 1 . 2]"
1 94 GLY 7.390 0.231 10 0 "[ . 1 . 2]"
1 95 LEU 19.625 0.315 15 0 "[ . 1 . 2]"
1 96 SER 16.699 0.301 3 0 "[ . 1 . 2]"
1 97 LEU 17.090 0.313 20 0 "[ . 1 . 2]"
1 98 MET 9.712 0.239 19 0 "[ . 1 . 2]"
1 99 MET 17.990 0.315 15 0 "[ . 1 . 2]"
1 100 ILE 7.872 0.286 13 0 "[ . 1 . 2]"
1 101 LEU 6.836 0.301 20 0 "[ . 1 . 2]"
1 102 ARG 6.209 0.239 19 0 "[ . 1 . 2]"
1 103 LEU 8.140 0.299 9 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 24 GLY O 1 28 GLY H . . 1.800 1.989 1.946 2.009 0.209 3 0 "[ . 1 . 2]" 2
2 1 24 GLY O 1 28 GLY N . . 2.700 2.827 2.699 2.930 0.230 18 0 "[ . 1 . 2]" 2
3 1 23 PHE O 1 27 PHE H . . 1.800 1.966 1.868 2.004 0.204 13 0 "[ . 1 . 2]" 2
4 1 23 PHE O 1 27 PHE N . . 2.700 2.875 2.779 2.991 0.291 5 0 "[ . 1 . 2]" 2
5 1 22 THR O 1 26 ILE H . . 1.800 1.972 1.877 2.008 0.208 6 0 "[ . 1 . 2]" 2
6 1 22 THR O 1 26 ILE N . . 2.700 2.941 2.854 2.990 0.290 8 0 "[ . 1 . 2]" 2
7 1 21 VAL O 1 25 SER H . . 1.800 2.004 1.998 2.011 0.211 13 0 "[ . 1 . 2]" 2
8 1 21 VAL O 1 25 SER N . . 2.700 2.822 2.799 2.851 0.151 2 0 "[ . 1 . 2]" 2
9 1 20 LEU O 1 24 GLY H . . 1.800 1.810 1.798 1.833 0.033 8 0 "[ . 1 . 2]" 2
10 1 20 LEU O 1 24 GLY N . . 2.700 2.784 2.765 2.809 0.109 3 0 "[ . 1 . 2]" 2
11 1 19 ALA O 1 23 PHE H . . 1.800 1.999 1.972 2.004 0.204 2 0 "[ . 1 . 2]" 2
12 1 19 ALA O 1 23 PHE N . . 2.700 2.883 2.829 2.926 0.226 13 0 "[ . 1 . 2]" 2
13 1 18 ALA O 1 22 THR H . . 1.800 1.921 1.834 2.005 0.205 19 0 "[ . 1 . 2]" 2
14 1 18 ALA O 1 22 THR N . . 2.700 2.866 2.770 2.959 0.259 19 0 "[ . 1 . 2]" 2
15 1 17 TYR O 1 21 VAL H . . 1.800 1.974 1.870 2.002 0.202 8 0 "[ . 1 . 2]" 2
16 1 17 TYR O 1 21 VAL N . . 2.700 2.930 2.833 2.980 0.280 9 0 "[ . 1 . 2]" 2
17 1 49 GLY O 1 53 TYR H . . 1.800 2.002 1.962 2.076 0.276 18 0 "[ . 1 . 2]" 2
18 1 49 GLY O 1 53 TYR N . . 2.700 2.835 2.669 3.005 0.305 18 0 "[ . 1 . 2]" 2
19 1 48 ALA O 1 52 ALA H . . 1.800 1.939 1.790 2.024 0.224 20 0 "[ . 1 . 2]" 2
20 1 48 ALA O 1 52 ALA N . . 2.700 2.835 2.693 2.990 0.290 13 0 "[ . 1 . 2]" 2
21 1 47 LEU O 1 51 GLY H . . 1.800 1.968 1.897 2.011 0.211 16 0 "[ . 1 . 2]" 2
22 1 47 LEU O 1 51 GLY N . . 2.700 2.777 2.679 2.909 0.209 19 0 "[ . 1 . 2]" 2
23 1 46 CYS O 1 50 TYR H . . 1.800 1.948 1.848 2.013 0.213 18 0 "[ . 1 . 2]" 2
24 1 46 CYS O 1 50 TYR N . . 2.700 2.868 2.699 2.995 0.295 9 0 "[ . 1 . 2]" 2
25 1 45 GLY O 1 49 GLY H . . 1.800 1.941 1.798 2.024 0.224 18 0 "[ . 1 . 2]" 2
26 1 45 GLY O 1 49 GLY N . . 2.700 2.886 2.782 2.986 0.286 6 0 "[ . 1 . 2]" 2
27 1 44 VAL O 1 48 ALA H . . 1.800 1.979 1.829 2.048 0.248 18 0 "[ . 1 . 2]" 2
28 1 44 VAL O 1 48 ALA N . . 2.700 2.796 2.686 2.953 0.253 3 0 "[ . 1 . 2]" 2
29 1 43 PHE O 1 47 LEU H . . 1.800 1.889 1.786 2.011 0.211 1 0 "[ . 1 . 2]" 2
30 1 43 PHE O 1 47 LEU N . . 2.700 2.853 2.772 2.932 0.232 9 0 "[ . 1 . 2]" 2
31 1 42 LEU O 1 46 CYS H . . 1.800 1.923 1.855 2.029 0.229 20 0 "[ . 1 . 2]" 2
32 1 42 LEU O 1 46 CYS N . . 2.700 2.772 2.693 2.918 0.218 7 0 "[ . 1 . 2]" 2
33 1 41 GLY O 1 45 GLY H . . 1.800 1.946 1.807 2.031 0.231 18 0 "[ . 1 . 2]" 2
34 1 41 GLY O 1 45 GLY N . . 2.700 2.837 2.694 2.969 0.269 18 0 "[ . 1 . 2]" 2
35 1 40 ALA O 1 44 VAL H . . 1.800 2.008 1.971 2.062 0.262 15 0 "[ . 1 . 2]" 2
36 1 40 ALA O 1 44 VAL N . . 2.700 2.976 2.928 3.012 0.312 1 0 "[ . 1 . 2]" 2
37 1 39 ILE O 1 43 PHE H . . 1.800 1.969 1.805 2.019 0.219 20 0 "[ . 1 . 2]" 2
38 1 39 ILE O 1 43 PHE N . . 2.700 2.928 2.785 3.006 0.306 20 0 "[ . 1 . 2]" 2
39 1 38 LEU O 1 42 LEU H . . 1.800 1.930 1.778 2.024 0.224 20 0 "[ . 1 . 2]" 2
40 1 38 LEU O 1 42 LEU N . . 2.700 2.890 2.688 3.003 0.303 20 0 "[ . 1 . 2]" 2
41 1 37 SER O 1 41 GLY H . . 1.800 1.988 1.891 2.045 0.245 12 0 "[ . 1 . 2]" 2
42 1 37 SER O 1 41 GLY N . . 2.700 2.868 2.760 2.952 0.252 12 0 "[ . 1 . 2]" 2
43 1 73 ALA O 1 77 GLY H . . 1.800 1.942 1.784 2.065 0.265 12 0 "[ . 1 . 2]" 2
44 1 73 ALA O 1 77 GLY N . . 2.700 2.800 2.555 2.988 0.288 8 0 "[ . 1 . 2]" 2
45 1 72 LEU O 1 76 MET H . . 1.800 1.790 1.761 1.846 0.046 3 0 "[ . 1 . 2]" 2
46 1 72 LEU O 1 76 MET N . . 2.700 2.741 2.660 2.788 0.088 12 0 "[ . 1 . 2]" 2
47 1 71 PHE O 1 75 ILE H . . 1.800 1.904 1.788 2.033 0.233 12 0 "[ . 1 . 2]" 2
48 1 71 PHE O 1 75 ILE N . . 2.700 2.784 2.610 2.988 0.288 6 0 "[ . 1 . 2]" 2
49 1 70 PHE O 1 74 THR H . . 1.800 1.958 1.807 2.013 0.213 19 0 "[ . 1 . 2]" 2
50 1 70 PHE O 1 74 THR N . . 2.700 2.917 2.796 3.006 0.306 10 0 "[ . 1 . 2]" 2
51 1 69 ALA O 1 73 ALA H . . 1.800 2.035 2.001 2.067 0.267 15 0 "[ . 1 . 2]" 2
52 1 69 ALA O 1 73 ALA N . . 2.700 2.910 2.844 2.976 0.276 15 0 "[ . 1 . 2]" 2
53 1 68 THR O 1 72 LEU H . . 1.800 1.807 1.787 1.864 0.064 13 0 "[ . 1 . 2]" 2
54 1 68 THR O 1 72 LEU N . . 2.700 2.682 2.631 2.768 0.068 12 0 "[ . 1 . 2]" 2
55 1 67 PHE O 1 71 PHE H . . 1.800 2.022 1.977 2.045 0.245 14 0 "[ . 1 . 2]" 2
56 1 67 PHE O 1 71 PHE N . . 2.700 2.897 2.764 2.974 0.274 14 0 "[ . 1 . 2]" 2
57 1 66 LEU O 1 70 PHE H . . 1.800 1.831 1.776 1.993 0.193 19 0 "[ . 1 . 2]" 2
58 1 66 LEU O 1 70 PHE N . . 2.700 2.809 2.750 2.971 0.271 19 0 "[ . 1 . 2]" 2
59 1 65 SER O 1 69 ALA H . . 1.800 1.983 1.908 2.026 0.226 15 0 "[ . 1 . 2]" 2
60 1 65 SER O 1 69 ALA N . . 2.700 2.973 2.886 3.015 0.315 15 0 "[ . 1 . 2]" 2
61 1 64 VAL O 1 68 THR H . . 1.800 1.859 1.785 2.005 0.205 2 0 "[ . 1 . 2]" 2
62 1 64 VAL O 1 68 THR N . . 2.700 2.703 2.666 2.881 0.181 2 0 "[ . 1 . 2]" 2
63 1 63 LYS O 1 67 PHE H . . 1.800 1.990 1.903 2.038 0.238 13 0 "[ . 1 . 2]" 2
64 1 63 LYS O 1 67 PHE N . . 2.700 2.859 2.741 2.972 0.272 13 0 "[ . 1 . 2]" 2
65 1 62 VAL O 1 66 LEU H . . 1.800 1.992 1.790 2.053 0.253 11 0 "[ . 1 . 2]" 2
66 1 62 VAL O 1 66 LEU N . . 2.700 2.958 2.726 3.012 0.312 11 0 "[ . 1 . 2]" 2
67 1 99 MET O 1 103 LEU H . . 1.800 1.989 1.868 2.038 0.238 3 0 "[ . 1 . 2]" 2
68 1 99 MET O 1 103 LEU N . . 2.700 2.918 2.836 2.999 0.299 9 0 "[ . 1 . 2]" 2
69 1 98 MET O 1 102 ARG H . . 1.800 2.007 1.957 2.039 0.239 19 0 "[ . 1 . 2]" 2
70 1 98 MET O 1 102 ARG N . . 2.700 2.802 2.690 2.897 0.197 7 0 "[ . 1 . 2]" 2
71 1 97 LEU O 1 101 LEU H . . 1.800 1.999 1.860 2.101 0.301 20 0 "[ . 1 . 2]" 2
72 1 97 LEU O 1 101 LEU N . . 2.700 2.843 2.709 2.972 0.272 3 0 "[ . 1 . 2]" 2
73 1 96 SER O 1 100 ILE H . . 1.800 2.009 1.853 2.064 0.264 3 0 "[ . 1 . 2]" 2
74 1 96 SER O 1 100 ILE N . . 2.700 2.884 2.713 2.986 0.286 13 0 "[ . 1 . 2]" 2
75 1 95 LEU O 1 99 MET H . . 1.800 2.007 1.956 2.030 0.230 15 0 "[ . 1 . 2]" 2
76 1 95 LEU O 1 99 MET N . . 2.700 2.985 2.936 3.015 0.315 15 0 "[ . 1 . 2]" 2
77 1 94 GLY O 1 98 MET H . . 1.800 1.941 1.833 2.016 0.216 19 0 "[ . 1 . 2]" 2
78 1 94 GLY O 1 98 MET N . . 2.700 2.728 2.668 2.852 0.152 11 0 "[ . 1 . 2]" 2
79 1 93 ALA O 1 97 LEU H . . 1.800 2.014 1.957 2.034 0.234 16 0 "[ . 1 . 2]" 2
80 1 93 ALA O 1 97 LEU N . . 2.700 2.998 2.938 3.013 0.313 20 0 "[ . 1 . 2]" 2
81 1 92 VAL O 1 96 SER H . . 1.800 1.992 1.871 2.035 0.235 3 0 "[ . 1 . 2]" 2
82 1 92 VAL O 1 96 SER N . . 2.700 2.949 2.811 3.001 0.301 3 0 "[ . 1 . 2]" 2
83 1 91 LEU O 1 95 LEU H . . 1.800 2.032 2.002 2.081 0.281 15 0 "[ . 1 . 2]" 2
84 1 91 LEU O 1 95 LEU N . . 2.700 2.957 2.891 3.001 0.301 12 0 "[ . 1 . 2]" 2
85 1 90 GLY O 1 94 GLY H . . 1.800 1.988 1.901 2.031 0.231 10 0 "[ . 1 . 2]" 2
86 1 90 GLY O 1 94 GLY N . . 2.700 2.685 2.633 2.779 0.079 14 0 "[ . 1 . 2]" 2
87 1 89 ALA O 1 93 ALA H . . 1.800 1.991 1.798 2.075 0.275 14 0 "[ . 1 . 2]" 2
88 1 89 ALA O 1 93 ALA N . . 2.700 2.845 2.675 2.969 0.269 14 0 "[ . 1 . 2]" 2
stop_
save_
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