NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
393641 |
1qqv   |
4428 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qqv
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 311
_Distance_constraint_stats_list.Viol_count 58
_Distance_constraint_stats_list.Viol_total 6.760
_Distance_constraint_stats_list.Viol_max 0.485
_Distance_constraint_stats_list.Viol_rms 0.0628
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0217
_Distance_constraint_stats_list.Viol_average_violations_only 0.1165
_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 2 THR 0.000 0.000 . 0 "[ ]"
1 3 LYS 0.000 0.000 . 0 "[ ]"
1 4 LEU 0.000 0.000 . 0 "[ ]"
1 5 GLU 0.135 0.089 1 0 "[ ]"
1 6 THR 0.135 0.089 1 0 "[ ]"
1 7 PHE 0.000 0.000 . 0 "[ ]"
1 8 PRO 0.046 0.046 1 0 "[ ]"
1 9 LEU 0.173 0.127 1 0 "[ ]"
1 10 ASP 0.158 0.105 1 0 "[ ]"
1 11 VAL 0.040 0.040 1 0 "[ ]"
1 12 LEU 0.541 0.485 1 0 "[ ]"
1 13 VAL 0.069 0.056 1 0 "[ ]"
1 14 ASN 0.226 0.226 1 0 "[ ]"
1 15 THR 0.226 0.226 1 0 "[ ]"
1 16 ALA 0.281 0.154 1 0 "[ ]"
1 17 ALA 0.078 0.062 1 0 "[ ]"
1 18 GLU 0.138 0.071 1 0 "[ ]"
1 19 ASP 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.265 0.265 1 0 "[ ]"
1 21 PRO 0.000 0.000 . 0 "[ ]"
1 22 ARG 0.000 0.000 . 0 "[ ]"
1 23 GLY 0.000 0.000 . 0 "[ ]"
1 24 VAL 0.032 0.032 1 0 "[ ]"
1 25 ASP 0.032 0.032 1 0 "[ ]"
1 26 PRO 0.000 0.000 . 0 "[ ]"
1 27 SER 0.000 0.000 . 0 "[ ]"
1 28 ARG 0.008 0.008 1 0 "[ ]"
1 29 LYS 0.000 0.000 . 0 "[ ]"
1 30 GLU 0.000 0.000 . 0 "[ ]"
1 31 ASN 0.054 0.046 1 0 "[ ]"
1 32 HIS 0.000 0.000 . 0 "[ ]"
1 33 LEU 0.664 0.304 1 0 "[ ]"
1 34 SER 0.000 0.000 . 0 "[ ]"
1 35 ASP 0.000 0.000 . 0 "[ ]"
1 36 GLU 0.230 0.209 1 0 "[ ]"
1 37 ASP 1.056 0.304 1 0 "[ ]"
1 38 PHE 0.027 0.023 1 0 "[ ]"
1 39 LYS 0.021 0.021 1 0 "[ ]"
1 40 ALA 0.220 0.143 1 0 "[ ]"
1 41 VAL 0.000 0.000 . 0 "[ ]"
1 42 PHE 0.296 0.231 1 0 "[ ]"
1 43 GLY 0.000 0.000 . 0 "[ ]"
1 44 MET 0.195 0.129 1 0 "[ ]"
1 45 THR 0.097 0.097 1 0 "[ ]"
1 46 ARG 0.271 0.271 1 0 "[ ]"
1 47 SER 0.000 0.000 . 0 "[ ]"
1 48 ALA 0.072 0.072 1 0 "[ ]"
1 49 PHE 0.289 0.187 1 0 "[ ]"
1 50 ALA 0.187 0.187 1 0 "[ ]"
1 51 ASN 0.019 0.019 1 0 "[ ]"
1 52 LEU 0.227 0.195 1 0 "[ ]"
1 53 PRO 0.351 0.181 1 0 "[ ]"
1 54 LEU 0.164 0.164 1 0 "[ ]"
1 55 TRP 0.470 0.233 1 0 "[ ]"
1 56 LYS 0.212 0.181 1 0 "[ ]"
1 57 GLN 0.221 0.195 1 0 "[ ]"
1 58 GLN 0.567 0.370 1 0 "[ ]"
1 59 ASN 0.193 0.116 1 0 "[ ]"
1 60 LEU 0.732 0.370 1 0 "[ ]"
1 61 LYS 0.117 0.115 1 0 "[ ]"
1 62 LYS 0.046 0.046 1 0 "[ ]"
1 63 GLU 0.137 0.073 1 0 "[ ]"
1 64 LYS 0.000 0.000 . 0 "[ ]"
1 65 GLY 0.000 0.000 . 0 "[ ]"
1 66 LEU 0.000 0.000 . 0 "[ ]"
1 67 PHE 0.242 0.169 1 0 "[ ]"
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 3 LYS H 1 3 LYS HA 2.300 . 2.800 2.344 2.344 2.344 . 0 0 "[ ]" 1
2 1 2 THR HA 1 3 LYS H 2.300 . 2.800 2.596 2.596 2.596 . 0 0 "[ ]" 1
3 1 2 THR HB 1 3 LYS H 3.800 . 4.800 2.905 2.905 2.905 . 0 0 "[ ]" 1
4 1 4 LEU H 1 4 LEU HA 2.800 . 3.300 2.981 2.981 2.981 . 0 0 "[ ]" 1
5 1 3 LYS HA 1 4 LEU H 2.300 . 2.800 2.209 2.209 2.209 . 0 0 "[ ]" 1
6 1 4 LEU H 1 4 LEU HG 2.800 . 3.300 2.022 2.022 2.022 . 0 0 "[ ]" 1
7 1 5 GLU H 1 6 THR H 3.300 . 4.300 4.389 4.389 4.389 0.089 1 0 "[ ]" 1
8 1 4 LEU HA 1 5 GLU H 2.300 . 2.800 2.416 2.416 2.416 . 0 0 "[ ]" 1
9 1 5 GLU H 1 5 GLU HA 2.800 . 3.300 2.944 2.944 2.944 . 0 0 "[ ]" 1
10 1 5 GLU HA 1 6 THR H 2.300 . 2.800 2.846 2.846 2.846 0.046 1 0 "[ ]" 1
11 1 6 THR HA 1 7 PHE H 2.800 . 3.300 2.228 2.228 2.228 . 0 0 "[ ]" 1
12 1 7 PHE H 1 7 PHE HA 2.800 . 3.300 3.005 3.005 3.005 . 0 0 "[ ]" 1
13 1 6 THR HB 1 7 PHE H 3.300 . 4.300 3.920 3.920 3.920 . 0 0 "[ ]" 1
14 1 7 PHE H 1 7 PHE HB3 3.300 . 4.300 3.805 3.805 3.805 . 0 0 "[ ]" 1
15 1 7 PHE H 1 7 PHE HB2 3.300 . 4.300 2.907 2.907 2.907 . 0 0 "[ ]" 1
16 1 9 LEU H 1 10 ASP H 2.300 . 2.800 2.487 2.487 2.487 . 0 0 "[ ]" 1
17 1 8 PRO HA 1 9 LEU H 2.300 . 2.800 2.691 2.691 2.691 . 0 0 "[ ]" 1
18 1 9 LEU H 1 9 LEU HA 2.300 . 2.800 2.927 2.927 2.927 0.127 1 0 "[ ]" 1
19 1 8 PRO HB3 1 9 LEU H 2.800 . 3.300 3.346 3.346 3.346 0.046 1 0 "[ ]" 1
20 1 8 PRO HB2 1 9 LEU H 3.300 . 4.300 2.245 2.245 2.245 . 0 0 "[ ]" 1
21 1 9 LEU H 1 9 LEU HG 2.800 . 3.300 2.251 2.251 2.251 . 0 0 "[ ]" 1
22 1 10 ASP H 1 11 VAL HB 3.800 . 4.800 4.840 4.840 4.840 0.040 1 0 "[ ]" 1
23 1 8 PRO HA 1 10 ASP H 3.300 . 4.300 4.293 4.293 4.293 . 0 0 "[ ]" 1
24 1 10 ASP H 1 10 ASP HA 2.300 . 2.800 2.905 2.905 2.905 0.105 1 0 "[ ]" 1
25 1 9 LEU HA 1 10 ASP H 3.300 . 4.300 3.384 3.384 3.384 . 0 0 "[ ]" 1
26 1 8 PRO HB3 1 10 ASP H 3.300 . 4.300 4.083 4.083 4.083 . 0 0 "[ ]" 1
27 1 8 PRO HB2 1 10 ASP H 2.800 . 3.300 2.330 2.330 2.330 . 0 0 "[ ]" 1
28 1 9 LEU HG 1 10 ASP H 2.800 . 3.300 2.571 2.571 2.571 . 0 0 "[ ]" 1
29 1 10 ASP HA 1 11 VAL H 3.300 . 4.300 3.571 3.571 3.571 . 0 0 "[ ]" 1
30 1 10 ASP H 1 11 VAL H 2.300 . 2.800 2.552 2.552 2.552 . 0 0 "[ ]" 1
31 1 11 VAL H 1 12 LEU H 2.800 . 3.300 2.646 2.646 2.646 . 0 0 "[ ]" 1
32 1 8 PRO HB2 1 11 VAL H 3.300 . 4.300 3.777 3.777 3.777 . 0 0 "[ ]" 1
33 1 11 VAL H 1 11 VAL HB 2.800 . 3.300 2.732 2.732 2.732 . 0 0 "[ ]" 1
34 1 12 LEU H 1 13 VAL HB 3.800 . 4.800 4.856 4.856 4.856 0.056 1 0 "[ ]" 1
35 1 12 LEU H 1 13 VAL H 2.800 . 3.300 2.895 2.895 2.895 . 0 0 "[ ]" 1
36 1 12 LEU H 1 12 LEU HG 2.800 . 3.300 3.785 3.785 3.785 0.485 1 0 "[ ]" 1
37 1 11 VAL HA 1 12 LEU H 3.300 . 4.300 3.519 3.519 3.519 . 0 0 "[ ]" 1
38 1 9 LEU HA 1 12 LEU H 3.800 . 4.800 3.395 3.395 3.395 . 0 0 "[ ]" 1
39 1 10 ASP H 1 12 LEU H 3.800 . 4.800 3.761 3.761 3.761 . 0 0 "[ ]" 1
40 1 11 VAL HB 1 12 LEU H 3.300 . 4.300 2.657 2.657 2.657 . 0 0 "[ ]" 1
41 1 12 LEU H 1 12 LEU HB3 3.300 . 4.300 3.479 3.479 3.479 . 0 0 "[ ]" 1
42 1 12 LEU H 1 12 LEU HB2 3.300 . 4.300 2.184 2.184 2.184 . 0 0 "[ ]" 1
43 1 13 VAL H 1 14 ASN H 3.800 . 4.800 4.503 4.503 4.503 . 0 0 "[ ]" 1
44 1 12 LEU HA 1 13 VAL H 3.300 . 4.300 3.512 3.512 3.512 . 0 0 "[ ]" 1
45 1 10 ASP HA 1 13 VAL H 3.300 . 4.300 4.313 4.313 4.313 0.013 1 0 "[ ]" 1
46 1 13 VAL H 1 13 VAL HA 2.800 . 3.300 2.817 2.817 2.817 . 0 0 "[ ]" 1
47 1 13 VAL H 1 13 VAL HB 2.800 . 3.300 2.527 2.527 2.527 . 0 0 "[ ]" 1
48 1 12 LEU HB3 1 13 VAL H 3.300 . 4.300 2.445 2.445 2.445 . 0 0 "[ ]" 1
49 1 12 LEU HB2 1 13 VAL H 3.300 . 4.300 1.865 1.865 1.865 . 0 0 "[ ]" 1
50 1 13 VAL HA 1 14 ASN H 3.300 . 4.300 2.175 2.175 2.175 . 0 0 "[ ]" 1
51 1 14 ASN HA 1 15 THR H 2.800 . 3.300 3.526 3.526 3.526 0.226 1 0 "[ ]" 1
52 1 15 THR H 1 15 THR HB 2.800 . 3.300 3.132 3.132 3.132 . 0 0 "[ ]" 1
53 1 16 ALA H 1 16 ALA HA 2.300 . 2.800 2.954 2.954 2.954 0.154 1 0 "[ ]" 1
54 1 17 ALA H 1 18 GLU H 2.800 . 3.300 2.743 2.743 2.743 . 0 0 "[ ]" 1
55 1 16 ALA HA 1 17 ALA H 2.300 . 2.800 2.862 2.862 2.862 0.062 1 0 "[ ]" 1
56 1 17 ALA H 1 17 ALA HA 2.300 . 2.800 2.816 2.816 2.816 0.016 1 0 "[ ]" 1
57 1 18 GLU H 1 18 GLU HA 2.300 . 2.800 2.871 2.871 2.871 0.071 1 0 "[ ]" 1
58 1 17 ALA HA 1 18 GLU H 3.300 . 4.300 3.501 3.501 3.501 . 0 0 "[ ]" 1
59 1 16 ALA HA 1 18 GLU H 3.300 . 4.300 4.366 4.366 4.366 0.066 1 0 "[ ]" 1
60 1 18 GLU H 1 19 ASP H 2.800 . 3.300 2.632 2.632 2.632 . 0 0 "[ ]" 1
61 1 18 GLU HA 1 19 ASP H 3.800 . 4.800 3.469 3.469 3.469 . 0 0 "[ ]" 1
62 1 17 ALA HA 1 19 ASP H 3.800 . 4.800 3.727 3.727 3.727 . 0 0 "[ ]" 1
63 1 19 ASP H 1 20 LEU H 2.800 . 3.300 2.454 2.454 2.454 . 0 0 "[ ]" 1
64 1 17 ALA HA 1 20 LEU H 3.300 . 4.300 3.416 3.416 3.416 . 0 0 "[ ]" 1
65 1 20 LEU H 1 20 LEU HG 2.800 . 3.300 1.860 1.860 1.860 . 0 0 "[ ]" 1
66 1 20 LEU H 1 20 LEU HB3 2.800 . 3.300 3.565 3.565 3.565 0.265 1 0 "[ ]" 1
67 1 20 LEU H 1 20 LEU HB2 2.300 . 2.800 2.686 2.686 2.686 . 0 0 "[ ]" 1
68 1 21 PRO HA 1 22 ARG H 2.300 . 2.800 2.619 2.619 2.619 . 0 0 "[ ]" 1
69 1 22 ARG H 1 22 ARG HA 2.800 . 3.300 2.880 2.880 2.880 . 0 0 "[ ]" 1
70 1 21 PRO HB3 1 22 ARG H 2.800 . 3.300 3.286 3.286 3.286 . 0 0 "[ ]" 1
71 1 21 PRO HB2 1 22 ARG H 3.300 . 4.300 2.270 2.270 2.270 . 0 0 "[ ]" 1
72 1 23 GLY H 1 24 VAL H 3.300 . 4.300 2.530 2.530 2.530 . 0 0 "[ ]" 1
73 1 22 ARG H 1 23 GLY H 3.800 . 4.800 4.594 4.594 4.594 . 0 0 "[ ]" 1
74 1 22 ARG HA 1 23 GLY H 2.800 . 3.300 2.159 2.159 2.159 . 0 0 "[ ]" 1
75 1 22 ARG HA 1 24 VAL H 3.800 . 4.800 3.959 3.959 3.959 . 0 0 "[ ]" 1
76 1 24 VAL H 1 24 VAL HB 2.800 . 3.300 2.828 2.828 2.828 . 0 0 "[ ]" 1
77 1 24 VAL HA 1 25 ASP H 2.800 . 3.300 2.211 2.211 2.211 . 0 0 "[ ]" 1
78 1 24 VAL H 1 25 ASP H 3.300 . 4.300 4.332 4.332 4.332 0.032 1 0 "[ ]" 1
79 1 27 SER H 1 27 SER HA 2.800 . 3.300 2.927 2.927 2.927 . 0 0 "[ ]" 1
80 1 26 PRO HA 1 27 SER H 3.300 . 4.300 3.527 3.527 3.527 . 0 0 "[ ]" 1
81 1 27 SER H 1 27 SER HB2 2.800 . 3.300 2.483 2.483 2.483 . 0 0 "[ ]" 1
82 1 27 SER H 1 27 SER HB3 2.800 . 3.300 2.713 2.713 2.713 . 0 0 "[ ]" 1
83 1 27 SER H 1 28 ARG H 2.300 . 2.800 2.611 2.611 2.611 . 0 0 "[ ]" 1
84 1 27 SER HA 1 28 ARG H 3.300 . 4.300 3.594 3.594 3.594 . 0 0 "[ ]" 1
85 1 27 SER HB3 1 28 ARG H 3.800 . 4.800 2.248 2.248 2.248 . 0 0 "[ ]" 1
86 1 28 ARG H 1 28 ARG HB3 3.800 . 4.800 3.619 3.619 3.619 . 0 0 "[ ]" 1
87 1 28 ARG H 1 28 ARG HB2 3.300 . 4.300 2.348 2.348 2.348 . 0 0 "[ ]" 1
88 1 29 LYS H 1 30 GLU H 3.300 . 4.300 2.477 2.477 2.477 . 0 0 "[ ]" 1
89 1 28 ARG H 1 29 LYS H 3.300 . 4.300 3.634 3.634 3.634 . 0 0 "[ ]" 1
90 1 29 LYS HA 1 30 GLU H 3.800 . 4.800 3.531 3.531 3.531 . 0 0 "[ ]" 1
91 1 30 GLU H 1 31 ASN H 2.800 . 3.300 2.750 2.750 2.750 . 0 0 "[ ]" 1
92 1 31 ASN H 1 32 HIS H 2.300 . 2.800 2.600 2.600 2.600 . 0 0 "[ ]" 1
93 1 31 ASN H 1 31 ASN HA 2.800 . 3.300 2.888 2.888 2.888 . 0 0 "[ ]" 1
94 1 30 GLU HA 1 31 ASN H 3.800 . 4.800 3.513 3.513 3.513 . 0 0 "[ ]" 1
95 1 31 ASN H 1 31 ASN HB3 2.800 . 3.300 3.346 3.346 3.346 0.046 1 0 "[ ]" 1
96 1 31 ASN H 1 31 ASN HB2 2.800 . 3.300 2.079 2.079 2.079 . 0 0 "[ ]" 1
97 1 28 ARG HB2 1 31 ASN H 3.800 . 4.800 4.808 4.808 4.808 0.008 1 0 "[ ]" 1
98 1 28 ARG HB3 1 31 ASN H 3.300 . 4.300 3.344 3.344 3.344 . 0 0 "[ ]" 1
99 1 31 ASN HA 1 32 HIS H 3.800 . 4.800 3.482 3.482 3.482 . 0 0 "[ ]" 1
100 1 31 ASN HB2 1 32 HIS H 3.300 . 4.300 3.444 3.444 3.444 . 0 0 "[ ]" 1
101 1 31 ASN HB3 1 32 HIS H 3.300 . 4.300 3.497 3.497 3.497 . 0 0 "[ ]" 1
102 1 32 HIS H 1 32 HIS HD2 3.300 . 4.300 2.744 2.744 2.744 . 0 0 "[ ]" 1
103 1 32 HIS H 1 33 LEU H 2.800 . 3.300 2.509 2.509 2.509 . 0 0 "[ ]" 1
104 1 32 HIS H 1 32 HIS HB3 3.300 . 4.300 3.674 3.674 3.674 . 0 0 "[ ]" 1
105 1 32 HIS H 1 32 HIS HB2 2.800 . 3.300 2.520 2.520 2.520 . 0 0 "[ ]" 1
106 1 32 HIS HA 1 33 LEU H 3.300 . 4.300 3.330 3.330 3.330 . 0 0 "[ ]" 1
107 1 33 LEU H 1 33 LEU HG 3.300 . 4.300 3.774 3.774 3.774 . 0 0 "[ ]" 1
108 1 33 LEU H 1 33 LEU HB2 2.800 . 3.300 2.108 2.108 2.108 . 0 0 "[ ]" 1
109 1 33 LEU H 1 33 LEU HB3 2.800 . 3.300 3.408 3.408 3.408 0.108 1 0 "[ ]" 1
110 1 31 ASN HA 1 33 LEU H 3.800 . 4.800 3.793 3.793 3.793 . 0 0 "[ ]" 1
111 1 33 LEU H 1 37 ASP HB3 3.300 . 4.300 4.528 4.528 4.528 0.228 1 0 "[ ]" 1
112 1 33 LEU H 1 37 ASP HB2 3.300 . 4.300 4.604 4.604 4.604 0.304 1 0 "[ ]" 1
113 1 33 LEU HA 1 34 SER H 3.300 . 4.300 2.222 2.222 2.222 . 0 0 "[ ]" 1
114 1 34 SER H 1 35 ASP H 3.800 . 4.800 4.694 4.694 4.694 . 0 0 "[ ]" 1
115 1 34 SER H 1 37 ASP H 3.800 . 4.800 3.649 3.649 3.649 . 0 0 "[ ]" 1
116 1 34 SER HA 1 36 GLU H 3.800 . 5.300 4.493 4.493 4.493 . 0 0 "[ ]" 1
117 1 36 GLU H 1 36 GLU HA 2.800 . 3.300 2.912 2.912 2.912 . 0 0 "[ ]" 1
118 1 35 ASP HA 1 36 GLU H 3.800 . 4.800 3.567 3.567 3.567 . 0 0 "[ ]" 1
119 1 35 ASP H 1 36 GLU H 3.800 . 4.800 2.930 2.930 2.930 . 0 0 "[ ]" 1
120 1 36 GLU H 1 38 PHE H 3.800 . 4.800 4.350 4.350 4.350 . 0 0 "[ ]" 1
121 1 36 GLU H 1 37 ASP H 2.800 . 3.300 2.461 2.461 2.461 . 0 0 "[ ]" 1
122 1 37 ASP H 1 38 PHE H 2.300 . 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 1
123 1 37 ASP H 1 37 ASP HA 2.800 . 3.300 2.840 2.840 2.840 . 0 0 "[ ]" 1
124 1 36 GLU HA 1 37 ASP H 2.800 . 3.300 3.509 3.509 3.509 0.209 1 0 "[ ]" 1
125 1 34 SER HA 1 37 ASP H 3.800 . 4.800 4.391 4.391 4.391 . 0 0 "[ ]" 1
126 1 37 ASP H 1 37 ASP HB3 2.800 . 3.300 3.533 3.533 3.533 0.233 1 0 "[ ]" 1
127 1 37 ASP H 1 37 ASP HB2 2.800 . 3.300 2.278 2.278 2.278 . 0 0 "[ ]" 1
128 1 37 ASP HB3 1 38 PHE H 3.300 . 4.300 3.131 3.131 3.131 . 0 0 "[ ]" 1
129 1 37 ASP HB2 1 38 PHE H 2.800 . 3.300 2.429 2.429 2.429 . 0 0 "[ ]" 1
130 1 38 PHE H 1 39 LYS H 2.800 . 3.300 2.642 2.642 2.642 . 0 0 "[ ]" 1
131 1 37 ASP HA 1 38 PHE H 3.300 . 4.300 3.576 3.576 3.576 . 0 0 "[ ]" 1
132 1 38 PHE H 1 38 PHE HA 2.800 . 3.300 2.865 2.865 2.865 . 0 0 "[ ]" 1
133 1 38 PHE H 1 38 PHE HB3 2.300 . 2.800 2.596 2.596 2.596 . 0 0 "[ ]" 1
134 1 38 PHE H 1 38 PHE HB2 2.300 . 2.800 2.488 2.488 2.488 . 0 0 "[ ]" 1
135 1 33 LEU HB3 1 38 PHE H 3.300 . 4.300 2.229 2.229 2.229 . 0 0 "[ ]" 1
136 1 33 LEU HB2 1 38 PHE H 3.300 . 4.300 3.459 3.459 3.459 . 0 0 "[ ]" 1
137 1 33 LEU HG 1 38 PHE H 3.800 . 4.800 4.823 4.823 4.823 0.023 1 0 "[ ]" 1
138 1 35 ASP HA 1 38 PHE H 3.300 . 4.300 3.994 3.994 3.994 . 0 0 "[ ]" 1
139 1 36 GLU HA 1 38 PHE H 3.800 . 4.800 4.686 4.686 4.686 . 0 0 "[ ]" 1
140 1 34 SER HA 1 38 PHE H 3.800 . 5.300 4.732 4.732 4.732 . 0 0 "[ ]" 1
141 1 38 PHE H 1 40 ALA H 3.300 . 4.300 4.062 4.062 4.062 . 0 0 "[ ]" 1
142 1 39 LYS H 1 39 LYS HA 2.800 . 3.300 2.943 2.943 2.943 . 0 0 "[ ]" 1
143 1 36 GLU HA 1 39 LYS H 2.800 . 3.300 3.321 3.321 3.321 0.021 1 0 "[ ]" 1
144 1 38 PHE HA 1 39 LYS H 3.300 . 4.300 3.525 3.525 3.525 . 0 0 "[ ]" 1
145 1 38 PHE HB3 1 39 LYS H 3.300 . 4.300 2.897 2.897 2.897 . 0 0 "[ ]" 1
146 1 38 PHE HB2 1 39 LYS H 3.300 . 4.300 4.020 4.020 4.020 . 0 0 "[ ]" 1
147 1 40 ALA H 1 41 VAL H 2.300 . 2.800 2.354 2.354 2.354 . 0 0 "[ ]" 1
148 1 39 LYS H 1 40 ALA H 2.300 . 2.800 2.418 2.418 2.418 . 0 0 "[ ]" 1
149 1 37 ASP HA 1 40 ALA H 2.800 . 3.300 3.378 3.378 3.378 0.078 1 0 "[ ]" 1
150 1 39 LYS HA 1 40 ALA H 3.300 . 4.300 3.484 3.484 3.484 . 0 0 "[ ]" 1
151 1 40 ALA H 1 40 ALA HA 2.300 . 2.800 2.943 2.943 2.943 0.143 1 0 "[ ]" 1
152 1 41 VAL H 1 42 PHE H 2.300 . 2.800 2.722 2.722 2.722 . 0 0 "[ ]" 1
153 1 40 ALA HA 1 41 VAL H 3.300 . 4.300 3.555 3.555 3.555 . 0 0 "[ ]" 1
154 1 41 VAL H 1 41 VAL HA 2.800 . 3.300 2.875 2.875 2.875 . 0 0 "[ ]" 1
155 1 38 PHE HA 1 41 VAL H 3.800 . 4.800 3.944 3.944 3.944 . 0 0 "[ ]" 1
156 1 37 ASP HA 1 41 VAL H 3.800 . 4.800 3.665 3.665 3.665 . 0 0 "[ ]" 1
157 1 41 VAL H 1 41 VAL HB 2.300 . 2.800 2.279 2.279 2.279 . 0 0 "[ ]" 1
158 1 42 PHE H 1 42 PHE HA 2.800 . 3.300 2.938 2.938 2.938 . 0 0 "[ ]" 1
159 1 39 LYS HA 1 42 PHE H 3.300 . 4.300 4.121 4.121 4.121 . 0 0 "[ ]" 1
160 1 41 VAL HA 1 42 PHE H 3.300 . 4.300 3.592 3.592 3.592 . 0 0 "[ ]" 1
161 1 41 VAL HB 1 42 PHE H 2.800 . 3.300 2.596 2.596 2.596 . 0 0 "[ ]" 1
162 1 38 PHE HA 1 42 PHE H 3.800 . 4.800 3.538 3.538 3.538 . 0 0 "[ ]" 1
163 1 42 PHE H 1 44 MET H 3.800 . 4.800 3.825 3.825 3.825 . 0 0 "[ ]" 1
164 1 42 PHE H 1 42 PHE HB3 2.800 . 3.300 3.531 3.531 3.531 0.231 1 0 "[ ]" 1
165 1 42 PHE H 1 42 PHE HB2 2.800 . 3.300 2.235 2.235 2.235 . 0 0 "[ ]" 1
166 1 42 PHE H 1 43 GLY H 2.800 . 3.300 2.351 2.351 2.351 . 0 0 "[ ]" 1
167 1 42 PHE HA 1 43 GLY H 3.300 . 4.300 3.493 3.493 3.493 . 0 0 "[ ]" 1
168 1 39 LYS HA 1 43 GLY H 3.300 . 4.300 3.264 3.264 3.264 . 0 0 "[ ]" 1
169 1 41 VAL HB 1 43 GLY H 3.800 . 4.800 4.706 4.706 4.706 . 0 0 "[ ]" 1
170 1 41 VAL HA 1 43 GLY H 3.800 . 4.800 4.512 4.512 4.512 . 0 0 "[ ]" 1
171 1 42 PHE HB2 1 43 GLY H 3.300 . 4.300 3.129 3.129 3.129 . 0 0 "[ ]" 1
172 1 42 PHE HB3 1 43 GLY H 3.300 . 4.300 3.807 3.807 3.807 . 0 0 "[ ]" 1
173 1 43 GLY H 1 44 MET H 2.300 . 2.800 2.510 2.510 2.510 . 0 0 "[ ]" 1
174 1 44 MET H 1 44 MET HA 2.300 . 2.800 2.929 2.929 2.929 0.129 1 0 "[ ]" 1
175 1 42 PHE HA 1 44 MET H 3.300 . 4.300 4.365 4.365 4.365 0.065 1 0 "[ ]" 1
176 1 39 LYS HA 1 44 MET H 2.300 . 2.800 2.558 2.558 2.558 . 0 0 "[ ]" 1
177 1 42 PHE HB3 1 44 MET H 3.300 . 4.300 3.022 3.022 3.022 . 0 0 "[ ]" 1
178 1 44 MET H 1 44 MET HB3 3.300 . 4.300 3.385 3.385 3.385 . 0 0 "[ ]" 1
179 1 44 MET H 1 44 MET HB2 3.300 . 4.300 3.946 3.946 3.946 . 0 0 "[ ]" 1
180 1 44 MET HA 1 45 THR H 2.300 . 2.800 2.434 2.434 2.434 . 0 0 "[ ]" 1
181 1 45 THR H 1 45 THR HA 2.800 . 3.300 2.947 2.947 2.947 . 0 0 "[ ]" 1
182 1 45 THR H 1 45 THR HB 2.800 . 3.300 3.397 3.397 3.397 0.097 1 0 "[ ]" 1
183 1 44 MET HB3 1 45 THR H 3.300 . 4.300 3.846 3.846 3.846 . 0 0 "[ ]" 1
184 1 44 MET HB2 1 45 THR H 2.800 . 3.300 2.510 2.510 2.510 . 0 0 "[ ]" 1
185 1 45 THR HB 1 46 ARG H 2.800 . 3.300 2.133 2.133 2.133 . 0 0 "[ ]" 1
186 1 45 THR HA 1 46 ARG H 2.300 . 2.800 2.618 2.618 2.618 . 0 0 "[ ]" 1
187 1 46 ARG H 1 46 ARG HA 2.800 . 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 1
188 1 46 ARG H 1 46 ARG HB3 2.300 . 2.800 2.715 2.715 2.715 . 0 0 "[ ]" 1
189 1 46 ARG H 1 46 ARG HB2 2.800 . 3.300 3.571 3.571 3.571 0.271 1 0 "[ ]" 1
190 1 46 ARG H 1 47 SER H 3.800 . 4.800 2.528 2.528 2.528 . 0 0 "[ ]" 1
191 1 47 SER H 1 48 ALA H 3.800 . 4.800 2.648 2.648 2.648 . 0 0 "[ ]" 1
192 1 48 ALA H 1 50 ALA H 3.800 . 4.800 3.942 3.942 3.942 . 0 0 "[ ]" 1
193 1 48 ALA H 1 49 PHE H 2.300 . 2.800 2.343 2.343 2.343 . 0 0 "[ ]" 1
194 1 48 ALA H 1 48 ALA HA 2.800 . 3.300 2.941 2.941 2.941 . 0 0 "[ ]" 1
195 1 48 ALA H 1 49 PHE HB3 3.800 . 4.800 4.872 4.872 4.872 0.072 1 0 "[ ]" 1
196 1 48 ALA H 1 49 PHE HB2 3.800 . 4.800 4.306 4.306 4.306 . 0 0 "[ ]" 1
197 1 49 PHE H 1 50 ALA H 2.300 . 2.800 2.679 2.679 2.679 . 0 0 "[ ]" 1
198 1 46 ARG HA 1 49 PHE H 3.300 . 4.300 3.093 3.093 3.093 . 0 0 "[ ]" 1
199 1 38 PHE HZ 1 49 PHE H 3.800 . 4.800 4.469 4.469 4.469 . 0 0 "[ ]" 1
200 1 49 PHE H 1 52 LEU HG 3.800 . 4.800 4.703 4.703 4.703 . 0 0 "[ ]" 1
201 1 49 PHE H 1 49 PHE HB3 2.300 . 2.800 2.830 2.830 2.830 0.030 1 0 "[ ]" 1
202 1 49 PHE H 1 49 PHE HB2 2.300 . 2.800 2.214 2.214 2.214 . 0 0 "[ ]" 1
203 1 50 ALA H 1 51 ASN H 2.800 . 3.300 2.556 2.556 2.556 . 0 0 "[ ]" 1
204 1 49 PHE HA 1 50 ALA H 2.800 . 3.300 3.487 3.487 3.487 0.187 1 0 "[ ]" 1
205 1 50 ALA H 1 50 ALA HA 2.800 . 3.300 2.897 2.897 2.897 . 0 0 "[ ]" 1
206 1 49 PHE HB3 1 50 ALA H 2.800 . 3.300 2.843 2.843 2.843 . 0 0 "[ ]" 1
207 1 49 PHE HB2 1 50 ALA H 3.300 . 4.300 3.754 3.754 3.754 . 0 0 "[ ]" 1
208 1 51 ASN H 1 51 ASN HA 2.800 . 3.300 2.953 2.953 2.953 . 0 0 "[ ]" 1
209 1 51 ASN H 1 52 LEU HG 3.800 . 4.800 4.088 4.088 4.088 . 0 0 "[ ]" 1
210 1 49 PHE H 1 51 ASN H 3.800 . 4.800 4.205 4.205 4.205 . 0 0 "[ ]" 1
211 1 48 ALA HA 1 51 ASN H 3.300 . 4.300 3.325 3.325 3.325 . 0 0 "[ ]" 1
212 1 50 ALA HA 1 51 ASN H 3.300 . 4.300 3.526 3.526 3.526 . 0 0 "[ ]" 1
213 1 51 ASN H 1 51 ASN HB3 2.800 . 3.300 3.319 3.319 3.319 0.019 1 0 "[ ]" 1
214 1 51 ASN H 1 51 ASN HB2 2.800 . 3.300 2.164 2.164 2.164 . 0 0 "[ ]" 1
215 1 51 ASN H 1 52 LEU H 2.300 . 2.800 2.636 2.636 2.636 . 0 0 "[ ]" 1
216 1 51 ASN HA 1 52 LEU H 3.300 . 4.300 3.248 3.248 3.248 . 0 0 "[ ]" 1
217 1 49 PHE HA 1 52 LEU H 3.300 . 4.300 3.716 3.716 3.716 . 0 0 "[ ]" 1
218 1 50 ALA HA 1 52 LEU H 3.300 . 4.300 3.695 3.695 3.695 . 0 0 "[ ]" 1
219 1 50 ALA H 1 52 LEU H 3.800 . 4.800 4.083 4.083 4.083 . 0 0 "[ ]" 1
220 1 52 LEU H 1 52 LEU HA 2.800 . 3.300 2.877 2.877 2.877 . 0 0 "[ ]" 1
221 1 52 LEU H 1 53 PRO HD3 3.800 . 4.800 4.805 4.805 4.805 0.005 1 0 "[ ]" 1
222 1 52 LEU H 1 53 PRO HD2 3.800 . 4.800 4.790 4.790 4.790 . 0 0 "[ ]" 1
223 1 52 LEU H 1 52 LEU HG 2.300 . 2.800 2.740 2.740 2.740 . 0 0 "[ ]" 1
224 1 51 ASN HB3 1 52 LEU H 3.800 . 4.800 3.999 3.999 3.999 . 0 0 "[ ]" 1
225 1 51 ASN HB2 1 52 LEU H 3.300 . 4.300 3.996 3.996 3.996 . 0 0 "[ ]" 1
226 1 52 LEU H 1 52 LEU HB2 2.800 . 3.300 2.185 2.185 2.185 . 0 0 "[ ]" 1
227 1 52 LEU H 1 52 LEU HB3 2.800 . 3.300 3.495 3.495 3.495 0.195 1 0 "[ ]" 1
228 1 53 PRO HA 1 54 LEU H 2.800 . 3.300 3.464 3.464 3.464 0.164 1 0 "[ ]" 1
229 1 55 TRP H 1 55 TRP HD1 2.300 . 2.800 2.166 2.166 2.166 . 0 0 "[ ]" 1
230 1 55 TRP H 1 55 TRP HE3 3.800 . 4.800 4.966 4.966 4.966 0.166 1 0 "[ ]" 1
231 1 55 TRP H 1 55 TRP HE1 3.800 . 4.800 4.192 4.192 4.192 . 0 0 "[ ]" 1
232 1 55 TRP H 1 56 LYS H 2.300 . 2.800 2.381 2.381 2.381 . 0 0 "[ ]" 1
233 1 55 TRP H 1 55 TRP HA 2.300 . 2.800 2.872 2.872 2.872 0.072 1 0 "[ ]" 1
234 1 54 LEU HA 1 55 TRP H 3.300 . 4.300 3.524 3.524 3.524 . 0 0 "[ ]" 1
235 1 55 TRP H 1 55 TRP HB3 2.300 . 2.800 2.527 2.527 2.527 . 0 0 "[ ]" 1
236 1 55 TRP H 1 55 TRP HB2 2.800 . 3.300 3.533 3.533 3.533 0.233 1 0 "[ ]" 1
237 1 53 PRO HB3 1 55 TRP H 3.300 . 4.300 4.234 4.234 4.234 . 0 0 "[ ]" 1
238 1 53 PRO HB2 1 55 TRP H 3.300 . 4.300 2.499 2.499 2.499 . 0 0 "[ ]" 1
239 1 54 LEU HG 1 55 TRP H 3.300 . 4.300 2.481 2.481 2.481 . 0 0 "[ ]" 1
240 1 55 TRP HA 1 56 LYS H 3.300 . 4.300 3.540 3.540 3.540 . 0 0 "[ ]" 1
241 1 53 PRO HB3 1 56 LYS H 3.300 . 4.300 4.481 4.481 4.481 0.181 1 0 "[ ]" 1
242 1 53 PRO HB2 1 56 LYS H 3.300 . 4.300 3.309 3.309 3.309 . 0 0 "[ ]" 1
243 1 55 TRP HE3 1 56 LYS H 3.800 . 4.800 3.867 3.867 3.867 . 0 0 "[ ]" 1
244 1 54 LEU H 1 56 LYS H 3.800 . 4.800 2.347 2.347 2.347 . 0 0 "[ ]" 1
245 1 57 GLN H 1 58 GLN H 2.800 . 3.300 2.952 2.952 2.952 . 0 0 "[ ]" 1
246 1 56 LYS H 1 57 GLN H 2.800 . 3.300 2.417 2.417 2.417 . 0 0 "[ ]" 1
247 1 54 LEU HA 1 57 GLN H 3.300 . 4.300 3.426 3.426 3.426 . 0 0 "[ ]" 1
248 1 56 LYS HA 1 57 GLN H 3.800 . 4.800 3.565 3.565 3.565 . 0 0 "[ ]" 1
249 1 52 LEU HB2 1 57 GLN H 3.800 . 4.800 4.826 4.826 4.826 0.026 1 0 "[ ]" 1
250 1 57 GLN H 1 57 GLN HB3 3.300 . 4.300 2.707 2.707 2.707 . 0 0 "[ ]" 1
251 1 57 GLN H 1 57 GLN HB2 2.800 . 3.300 2.382 2.382 2.382 . 0 0 "[ ]" 1
252 1 56 LYS H 1 58 GLN H 3.300 . 4.300 4.252 4.252 4.252 . 0 0 "[ ]" 1
253 1 55 TRP HA 1 58 GLN H 3.300 . 4.300 3.977 3.977 3.977 . 0 0 "[ ]" 1
254 1 54 LEU HA 1 58 GLN H 3.300 . 4.300 3.699 3.699 3.699 . 0 0 "[ ]" 1
255 1 58 GLN H 1 58 GLN HA 2.800 . 3.300 2.850 2.850 2.850 . 0 0 "[ ]" 1
256 1 57 GLN HA 1 58 GLN H 3.300 . 4.300 3.547 3.547 3.547 . 0 0 "[ ]" 1
257 1 57 GLN HB3 1 58 GLN H 2.800 . 3.300 2.075 2.075 2.075 . 0 0 "[ ]" 1
258 1 57 GLN HB2 1 58 GLN H 2.800 . 3.300 3.495 3.495 3.495 0.195 1 0 "[ ]" 1
259 1 58 GLN H 1 58 GLN HB3 2.300 . 2.800 2.147 2.147 2.147 . 0 0 "[ ]" 1
260 1 58 GLN H 1 59 ASN H 2.800 . 3.300 2.765 2.765 2.765 . 0 0 "[ ]" 1
261 1 56 LYS H 1 59 ASN H 3.800 . 4.800 4.664 4.664 4.664 . 0 0 "[ ]" 1
262 1 59 ASN H 1 59 ASN HA 2.800 . 3.300 2.893 2.893 2.893 . 0 0 "[ ]" 1
263 1 58 GLN HA 1 59 ASN H 3.300 . 4.300 3.569 3.569 3.569 . 0 0 "[ ]" 1
264 1 56 LYS HA 1 59 ASN H 2.800 . 3.300 3.331 3.331 3.331 0.031 1 0 "[ ]" 1
265 1 58 GLN HB3 1 59 ASN H 3.300 . 4.300 3.580 3.580 3.580 . 0 0 "[ ]" 1
266 1 58 GLN HB2 1 59 ASN H 3.300 . 4.300 4.022 4.022 4.022 . 0 0 "[ ]" 1
267 1 59 ASN H 1 60 LEU H 2.300 . 2.800 2.492 2.492 2.492 . 0 0 "[ ]" 1
268 1 60 LEU H 1 62 LYS H 3.800 . 4.800 3.760 3.760 3.760 . 0 0 "[ ]" 1
269 1 59 ASN HA 1 60 LEU H 2.800 . 3.300 3.416 3.416 3.416 0.116 1 0 "[ ]" 1
270 1 60 LEU H 1 60 LEU HA 2.300 . 2.800 2.931 2.931 2.931 0.131 1 0 "[ ]" 1
271 1 56 LYS HA 1 60 LEU H 3.300 . 4.300 4.188 4.188 4.188 . 0 0 "[ ]" 1
272 1 58 GLN HB3 1 60 LEU H 3.800 . 4.800 5.170 5.170 5.170 0.370 1 0 "[ ]" 1
273 1 57 GLN HA 1 60 LEU H 3.300 . 4.300 3.581 3.581 3.581 . 0 0 "[ ]" 1
274 1 60 LEU H 1 60 LEU HG 2.300 . 2.800 2.656 2.656 2.656 . 0 0 "[ ]" 1
275 1 60 LEU H 1 61 LYS H 2.800 . 3.300 2.337 2.337 2.337 . 0 0 "[ ]" 1
276 1 60 LEU HA 1 61 LYS H 3.300 . 4.300 3.509 3.509 3.509 . 0 0 "[ ]" 1
277 1 58 GLN HA 1 61 LYS H 2.800 . 3.300 3.302 3.302 3.302 0.002 1 0 "[ ]" 1
278 1 57 GLN HA 1 61 LYS H 3.800 . 4.800 4.455 4.455 4.455 . 0 0 "[ ]" 1
279 1 61 LYS H 1 61 LYS HA 2.800 . 3.300 2.930 2.930 2.930 . 0 0 "[ ]" 1
280 1 60 LEU HG 1 61 LYS H 3.300 . 4.300 4.415 4.415 4.415 0.115 1 0 "[ ]" 1
281 1 61 LYS H 1 62 LYS H 2.300 . 2.800 2.445 2.445 2.445 . 0 0 "[ ]" 1
282 1 62 LYS H 1 63 GLU H 2.300 . 2.800 2.564 2.564 2.564 . 0 0 "[ ]" 1
283 1 59 ASN HA 1 62 LYS H 2.800 . 3.300 3.346 3.346 3.346 0.046 1 0 "[ ]" 1
284 1 62 LYS H 1 62 LYS HA 2.800 . 3.300 2.895 2.895 2.895 . 0 0 "[ ]" 1
285 1 61 LYS HA 1 62 LYS H 3.300 . 4.300 3.561 3.561 3.561 . 0 0 "[ ]" 1
286 1 58 GLN HA 1 62 LYS H 3.800 . 4.800 3.851 3.851 3.851 . 0 0 "[ ]" 1
287 1 62 LYS H 1 67 PHE HB3 3.300 . 4.300 3.770 3.770 3.770 . 0 0 "[ ]" 1
288 1 62 LYS H 1 67 PHE HB2 3.300 . 4.300 2.429 2.429 2.429 . 0 0 "[ ]" 1
289 1 63 GLU H 1 64 LYS H 2.800 . 3.300 2.877 2.877 2.877 . 0 0 "[ ]" 1
290 1 63 GLU H 1 63 GLU HA 2.300 . 2.800 2.848 2.848 2.848 0.048 1 0 "[ ]" 1
291 1 62 LYS HA 1 63 GLU H 3.300 . 4.300 3.434 3.434 3.434 . 0 0 "[ ]" 1
292 1 59 ASN HA 1 63 GLU H 3.800 . 4.800 4.026 4.026 4.026 . 0 0 "[ ]" 1
293 1 61 LYS H 1 63 GLU H 3.800 . 4.800 3.684 3.684 3.684 . 0 0 "[ ]" 1
294 1 63 GLU H 1 67 PHE H 3.800 . 4.800 4.873 4.873 4.873 0.073 1 0 "[ ]" 1
295 1 63 GLU H 1 63 GLU HB3 2.800 . 3.300 3.316 3.316 3.316 0.016 1 0 "[ ]" 1
296 1 63 GLU H 1 63 GLU HB2 2.300 . 2.800 2.073 2.073 2.073 . 0 0 "[ ]" 1
297 1 64 LYS H 1 65 GLY H 2.300 . 2.800 2.610 2.610 2.610 . 0 0 "[ ]" 1
298 1 64 LYS H 1 64 LYS HA 2.800 . 3.300 2.931 2.931 2.931 . 0 0 "[ ]" 1
299 1 63 GLU HA 1 64 LYS H 3.300 . 4.300 3.596 3.596 3.596 . 0 0 "[ ]" 1
300 1 63 GLU HB3 1 64 LYS H 3.300 . 4.300 2.554 2.554 2.554 . 0 0 "[ ]" 1
301 1 63 GLU HB2 1 64 LYS H 2.800 . 3.300 2.909 2.909 2.909 . 0 0 "[ ]" 1
302 1 64 LYS HA 1 65 GLY H 3.300 . 4.300 3.593 3.593 3.593 . 0 0 "[ ]" 1
303 1 66 LEU H 1 67 PHE H 2.800 . 3.300 1.931 1.931 1.931 . 0 0 "[ ]" 1
304 1 65 GLY H 1 66 LEU H 2.800 . 3.300 2.571 2.571 2.571 . 0 0 "[ ]" 1
305 1 61 LYS HA 1 66 LEU H 3.800 . 4.800 4.357 4.357 4.357 . 0 0 "[ ]" 1
306 1 64 LYS H 1 66 LEU H 3.800 . 4.800 4.607 4.607 4.607 . 0 0 "[ ]" 1
307 1 66 LEU H 1 66 LEU HG 3.300 . 4.300 2.380 2.380 2.380 . 0 0 "[ ]" 1
308 1 66 LEU HA 1 67 PHE H 3.300 . 4.300 3.574 3.574 3.574 . 0 0 "[ ]" 1
309 1 67 PHE H 1 67 PHE HA 2.800 . 3.300 2.929 2.929 2.929 . 0 0 "[ ]" 1
310 1 67 PHE H 1 67 PHE HB2 2.800 . 3.300 2.184 2.184 2.184 . 0 0 "[ ]" 1
311 1 67 PHE H 1 67 PHE HB3 2.800 . 3.300 3.469 3.469 3.469 0.169 1 0 "[ ]" 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 188
_Distance_constraint_stats_list.Viol_count 16
_Distance_constraint_stats_list.Viol_total 0.865
_Distance_constraint_stats_list.Viol_max 0.165
_Distance_constraint_stats_list.Viol_rms 0.0192
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0541
_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 4 LEU 0.000 0.000 . 0 "[ ]"
1 5 GLU 0.000 0.000 . 0 "[ ]"
1 6 THR 0.000 0.000 . 0 "[ ]"
1 7 PHE 0.078 0.078 1 0 "[ ]"
1 8 PRO 0.000 0.000 . 0 "[ ]"
1 9 LEU 0.029 0.029 1 0 "[ ]"
1 10 ASP 0.029 0.029 1 0 "[ ]"
1 11 VAL 0.000 0.000 . 0 "[ ]"
1 12 LEU 0.000 0.000 . 0 "[ ]"
1 13 VAL 0.000 0.000 . 0 "[ ]"
1 14 ASN 0.000 0.000 . 0 "[ ]"
1 15 THR 0.000 0.000 . 0 "[ ]"
1 16 ALA 0.000 0.000 . 0 "[ ]"
1 17 ALA 0.000 0.000 . 0 "[ ]"
1 18 GLU 0.000 0.000 . 0 "[ ]"
1 19 ASP 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.000 0.000 . 0 "[ ]"
1 21 PRO 0.000 0.000 . 0 "[ ]"
1 22 ARG 0.000 0.000 . 0 "[ ]"
1 23 GLY 0.000 0.000 . 0 "[ ]"
1 24 VAL 0.000 0.000 . 0 "[ ]"
1 25 ASP 0.000 0.000 . 0 "[ ]"
1 26 PRO 0.000 0.000 . 0 "[ ]"
1 27 SER 0.000 0.000 . 0 "[ ]"
1 28 ARG 0.000 0.000 . 0 "[ ]"
1 29 LYS 0.000 0.000 . 0 "[ ]"
1 30 GLU 0.000 0.000 . 0 "[ ]"
1 31 ASN 0.000 0.000 . 0 "[ ]"
1 33 LEU 0.028 0.028 1 0 "[ ]"
1 34 SER 0.028 0.028 1 0 "[ ]"
1 35 ASP 0.000 0.000 . 0 "[ ]"
1 36 GLU 0.000 0.000 . 0 "[ ]"
1 37 ASP 0.000 0.000 . 0 "[ ]"
1 38 PHE 0.000 0.000 . 0 "[ ]"
1 39 LYS 0.000 0.000 . 0 "[ ]"
1 40 ALA 0.165 0.165 1 0 "[ ]"
1 41 VAL 0.165 0.165 1 0 "[ ]"
1 42 PHE 0.000 0.000 . 0 "[ ]"
1 43 GLY 0.000 0.000 . 0 "[ ]"
1 44 MET 0.024 0.024 1 0 "[ ]"
1 45 THR 0.073 0.028 1 0 "[ ]"
1 46 ARG 0.000 0.000 . 0 "[ ]"
1 47 SER 0.000 0.000 . 0 "[ ]"
1 48 ALA 0.028 0.028 1 0 "[ ]"
1 49 PHE 0.125 0.125 1 0 "[ ]"
1 50 ALA 0.000 0.000 . 0 "[ ]"
1 51 ASN 0.005 0.005 1 0 "[ ]"
1 52 LEU 0.065 0.060 1 0 "[ ]"
1 53 PRO 0.034 0.034 1 0 "[ ]"
1 54 LEU 0.063 0.063 1 0 "[ ]"
1 55 TRP 0.000 0.000 . 0 "[ ]"
1 56 LYS 0.080 0.046 1 0 "[ ]"
1 57 GLN 0.046 0.046 1 0 "[ ]"
1 58 GLN 0.063 0.063 1 0 "[ ]"
1 59 ASN 0.077 0.077 1 0 "[ ]"
1 60 LEU 0.049 0.049 1 0 "[ ]"
1 61 LYS 0.077 0.077 1 0 "[ ]"
1 62 LYS 0.034 0.034 1 0 "[ ]"
1 63 GLU 0.000 0.000 . 0 "[ ]"
1 64 LYS 0.000 0.000 . 0 "[ ]"
1 65 GLY 0.000 0.000 . 0 "[ ]"
1 66 LEU 0.000 0.000 . 0 "[ ]"
1 67 PHE 0.000 0.000 . 0 "[ ]"
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 4 LEU H 1 4 LEU QB 2.800 . 3.800 2.858 2.858 2.858 . 0 0 "[ ]" 2
2 1 4 LEU H 1 4 LEU QD 3.300 . 4.800 2.256 2.256 2.256 . 0 0 "[ ]" 2
3 1 5 GLU H 1 5 GLU QB 2.800 . 3.800 2.426 2.426 2.426 . 0 0 "[ ]" 2
4 1 5 GLU H 1 5 GLU QG 3.800 . 5.300 2.838 2.838 2.838 . 0 0 "[ ]" 2
5 1 4 LEU QB 1 5 GLU H 3.300 . 4.800 2.492 2.492 2.492 . 0 0 "[ ]" 2
6 1 4 LEU QD 1 5 GLU H 3.300 . 4.800 3.347 3.347 3.347 . 0 0 "[ ]" 2
7 1 5 GLU QB 1 6 THR H 3.300 . 4.800 1.862 1.862 1.862 . 0 0 "[ ]" 2
8 1 5 GLU QG 1 6 THR H 3.800 . 5.300 3.732 3.732 3.732 . 0 0 "[ ]" 2
9 1 6 THR H 1 6 THR MG 3.300 . 4.800 3.163 3.163 3.163 . 0 0 "[ ]" 2
10 1 7 PHE H 1 8 PRO QD 3.300 . 4.800 4.325 4.325 4.325 . 0 0 "[ ]" 2
11 1 7 PHE H 1 7 PHE QD 3.300 . 4.800 1.913 1.913 1.913 . 0 0 "[ ]" 2
12 1 7 PHE H 1 7 PHE QE 2.800 . 3.800 3.878 3.878 3.878 0.078 1 0 "[ ]" 2
13 1 6 THR MG 1 7 PHE H 3.300 . 4.800 4.102 4.102 4.102 . 0 0 "[ ]" 2
14 1 8 PRO QG 1 9 LEU H 3.800 . 5.300 3.960 3.960 3.960 . 0 0 "[ ]" 2
15 1 9 LEU H 1 9 LEU QB 2.300 . 3.300 2.728 2.728 2.728 . 0 0 "[ ]" 2
16 1 9 LEU H 1 9 LEU QD 2.800 . 3.800 2.154 2.154 2.154 . 0 0 "[ ]" 2
17 1 10 ASP H 1 10 ASP QB 2.300 . 3.300 2.411 2.411 2.411 . 0 0 "[ ]" 2
18 1 9 LEU QB 1 10 ASP H 2.800 . 3.800 3.829 3.829 3.829 0.029 1 0 "[ ]" 2
19 1 10 ASP H 1 11 VAL MG2 3.300 . 4.300 3.736 3.736 3.736 . 0 0 "[ ]" 2
20 1 9 LEU QD 1 10 ASP H 3.300 . 4.800 3.484 3.484 3.484 . 0 0 "[ ]" 2
21 1 8 PRO QD 1 11 VAL H 3.800 . 5.300 3.395 3.395 3.395 . 0 0 "[ ]" 2
22 1 10 ASP QB 1 11 VAL H 3.300 . 4.800 2.406 2.406 2.406 . 0 0 "[ ]" 2
23 1 11 VAL H 1 11 VAL MG2 2.800 . 3.800 1.943 1.943 1.943 . 0 0 "[ ]" 2
24 1 11 VAL H 1 11 VAL MG1 3.300 . 4.800 3.764 3.764 3.764 . 0 0 "[ ]" 2
25 1 11 VAL MG1 1 12 LEU H 3.300 . 4.800 3.783 3.783 3.783 . 0 0 "[ ]" 2
26 1 11 VAL MG2 1 12 LEU H 3.300 . 4.800 3.610 3.610 3.610 . 0 0 "[ ]" 2
27 1 12 LEU H 1 20 LEU MD2 3.300 . 4.800 4.049 4.049 4.049 . 0 0 "[ ]" 2
28 1 12 LEU H 1 12 LEU MD1 3.300 . 4.800 1.889 1.889 1.889 . 0 0 "[ ]" 2
29 1 13 VAL H 1 13 VAL MG1 2.800 . 3.800 3.752 3.752 3.752 . 0 0 "[ ]" 2
30 1 13 VAL H 1 13 VAL MG2 2.800 . 4.000 2.119 2.119 2.119 . 0 0 "[ ]" 2
31 1 14 ASN QB 1 14 ASN QD 2.800 . 3.800 2.210 2.210 2.210 . 0 0 "[ ]" 2
32 1 13 VAL QG 1 14 ASN QD 3.300 . 4.800 4.266 4.266 4.266 . 0 0 "[ ]" 2
33 1 10 ASP HA 1 14 ASN QD 3.800 . 5.300 2.699 2.699 2.699 . 0 0 "[ ]" 2
34 1 14 ASN QB 1 15 THR H 3.800 . 5.300 2.573 2.573 2.573 . 0 0 "[ ]" 2
35 1 15 THR H 1 15 THR MG 3.300 . 4.800 4.024 4.024 4.024 . 0 0 "[ ]" 2
36 1 16 ALA H 1 16 ALA MB 2.300 . 3.300 2.374 2.374 2.374 . 0 0 "[ ]" 2
37 1 15 THR MG 1 16 ALA H 2.800 . 3.800 2.104 2.104 2.104 . 0 0 "[ ]" 2
38 1 16 ALA MB 1 17 ALA H 2.300 . 3.300 1.982 1.982 1.982 . 0 0 "[ ]" 2
39 1 17 ALA H 1 17 ALA MB 2.300 . 3.300 2.256 2.256 2.256 . 0 0 "[ ]" 2
40 1 17 ALA H 1 20 LEU MD1 3.800 . 5.300 3.596 3.596 3.596 . 0 0 "[ ]" 2
41 1 18 GLU H 1 18 GLU QG 2.800 . 3.800 2.012 2.012 2.012 . 0 0 "[ ]" 2
42 1 18 GLU H 1 18 GLU QB 2.300 . 3.300 2.579 2.579 2.579 . 0 0 "[ ]" 2
43 1 17 ALA MB 1 18 GLU H 2.300 . 3.300 2.781 2.781 2.781 . 0 0 "[ ]" 2
44 1 18 GLU QB 1 19 ASP H 3.300 . 4.800 3.711 3.711 3.711 . 0 0 "[ ]" 2
45 1 18 GLU QG 1 19 ASP H 3.300 . 4.800 2.324 2.324 2.324 . 0 0 "[ ]" 2
46 1 15 THR MG 1 19 ASP H 3.800 . 5.300 4.544 4.544 4.544 . 0 0 "[ ]" 2
47 1 19 ASP H 1 19 ASP QB 3.300 . 4.800 2.335 2.335 2.335 . 0 0 "[ ]" 2
48 1 20 LEU H 1 20 LEU MD1 2.800 . 3.800 2.717 2.717 2.717 . 0 0 "[ ]" 2
49 1 20 LEU H 1 20 LEU MD2 3.300 . 4.800 3.565 3.565 3.565 . 0 0 "[ ]" 2
50 1 22 ARG H 1 22 ARG QB 2.300 . 3.300 2.165 2.165 2.165 . 0 0 "[ ]" 2
51 1 22 ARG H 1 22 ARG QG 2.800 . 3.800 2.935 2.935 2.935 . 0 0 "[ ]" 2
52 1 21 PRO QG 1 22 ARG H 3.800 . 5.300 4.008 4.008 4.008 . 0 0 "[ ]" 2
53 1 22 ARG H 1 22 ARG QD 3.800 . 5.300 4.442 4.442 4.442 . 0 0 "[ ]" 2
54 1 22 ARG QB 1 23 GLY H 3.300 . 4.800 3.234 3.234 3.234 . 0 0 "[ ]" 2
55 1 22 ARG QG 1 23 GLY H 3.800 . 5.300 3.595 3.595 3.595 . 0 0 "[ ]" 2
56 1 23 GLY QA 1 24 VAL H 3.800 . 5.300 2.677 2.677 2.677 . 0 0 "[ ]" 2
57 1 24 VAL H 1 24 VAL MG1 3.300 . 4.800 3.939 3.939 3.939 . 0 0 "[ ]" 2
58 1 24 VAL H 1 24 VAL MG2 2.800 . 3.800 3.020 3.020 3.020 . 0 0 "[ ]" 2
59 1 24 VAL MG1 1 25 ASP H 3.300 . 4.800 2.373 2.373 2.373 . 0 0 "[ ]" 2
60 1 24 VAL MG2 1 25 ASP H 3.300 . 4.800 3.970 3.970 3.970 . 0 0 "[ ]" 2
61 1 25 ASP H 1 25 ASP QB 2.800 . 3.800 2.550 2.550 2.550 . 0 0 "[ ]" 2
62 1 26 PRO QB 1 27 SER H 3.300 . 4.800 3.342 3.342 3.342 . 0 0 "[ ]" 2
63 1 26 PRO QD 1 27 SER H 3.300 . 4.800 2.376 2.376 2.376 . 0 0 "[ ]" 2
64 1 25 ASP QB 1 27 SER H 3.800 . 5.300 2.696 2.696 2.696 . 0 0 "[ ]" 2
65 1 26 PRO QG 1 27 SER H 2.800 . 3.800 2.843 2.843 2.843 . 0 0 "[ ]" 2
66 1 28 ARG H 1 28 ARG QG 3.800 . 5.300 2.971 2.971 2.971 . 0 0 "[ ]" 2
67 1 25 ASP QB 1 28 ARG H 3.800 . 5.300 2.504 2.504 2.504 . 0 0 "[ ]" 2
68 1 29 LYS H 1 29 LYS QB 2.800 . 3.800 2.545 2.545 2.545 . 0 0 "[ ]" 2
69 1 29 LYS H 1 29 LYS QG 3.300 . 4.800 2.300 2.300 2.300 . 0 0 "[ ]" 2
70 1 29 LYS H 1 29 LYS QD 3.300 . 4.800 4.185 4.185 4.185 . 0 0 "[ ]" 2
71 1 29 LYS QB 1 30 GLU H 3.300 . 4.800 2.736 2.736 2.736 . 0 0 "[ ]" 2
72 1 31 ASN HB2 1 31 ASN QD 3.300 . 4.800 2.364 2.364 2.364 . 0 0 "[ ]" 2
73 1 31 ASN HB3 1 31 ASN QD 3.300 . 4.800 3.359 3.359 3.359 . 0 0 "[ ]" 2
74 1 28 ARG HB3 1 31 ASN QD 3.800 . 5.300 3.005 3.005 3.005 . 0 0 "[ ]" 2
75 1 28 ARG HB2 1 31 ASN QD 3.300 . 4.800 4.580 4.580 4.580 . 0 0 "[ ]" 2
76 1 28 ARG QG 1 31 ASN QD 3.800 . 5.300 3.773 3.773 3.773 . 0 0 "[ ]" 2
77 1 30 GLU QB 1 31 ASN H 3.800 . 5.300 3.597 3.597 3.597 . 0 0 "[ ]" 2
78 1 30 GLU QG 1 31 ASN H 3.300 . 4.800 1.976 1.976 1.976 . 0 0 "[ ]" 2
79 1 33 LEU H 1 33 LEU MD1 3.300 . 4.800 2.467 2.467 2.467 . 0 0 "[ ]" 2
80 1 33 LEU H 1 33 LEU MD2 3.800 . 5.300 4.225 4.225 4.225 . 0 0 "[ ]" 2
81 1 33 LEU MD2 1 34 SER H 3.300 . 4.800 4.531 4.531 4.531 . 0 0 "[ ]" 2
82 1 33 LEU MD1 1 34 SER H 3.300 . 4.800 4.828 4.828 4.828 0.028 1 0 "[ ]" 2
83 1 35 ASP H 1 35 ASP QB 2.800 . 3.800 2.090 2.090 2.090 . 0 0 "[ ]" 2
84 1 34 SER QB 1 35 ASP H 2.800 . 3.800 3.024 3.024 3.024 . 0 0 "[ ]" 2
85 1 35 ASP QB 1 36 GLU H 2.800 . 3.800 2.650 2.650 2.650 . 0 0 "[ ]" 2
86 1 36 GLU H 1 36 GLU QG 3.300 . 4.800 2.756 2.756 2.756 . 0 0 "[ ]" 2
87 1 34 SER QB 1 36 GLU H 3.300 . 4.800 2.720 2.720 2.720 . 0 0 "[ ]" 2
88 1 36 GLU H 1 36 GLU QB 2.300 . 3.300 2.315 2.315 2.315 . 0 0 "[ ]" 2
89 1 36 GLU QB 1 37 ASP H 2.800 . 3.800 2.713 2.713 2.713 . 0 0 "[ ]" 2
90 1 34 SER QB 1 37 ASP H 3.800 . 5.300 2.506 2.506 2.506 . 0 0 "[ ]" 2
91 1 38 PHE H 1 38 PHE QD 3.300 . 4.800 4.167 4.167 4.167 . 0 0 "[ ]" 2
92 1 39 LYS H 1 39 LYS QB 2.300 . 3.300 2.206 2.206 2.206 . 0 0 "[ ]" 2
93 1 39 LYS H 1 39 LYS QG 2.300 . 3.300 2.974 2.974 2.974 . 0 0 "[ ]" 2
94 1 39 LYS H 1 40 ALA MB 3.800 . 5.300 4.129 4.129 4.129 . 0 0 "[ ]" 2
95 1 39 LYS QB 1 40 ALA H 2.800 . 3.800 3.107 3.107 3.107 . 0 0 "[ ]" 2
96 1 40 ALA H 1 40 ALA MB 2.300 . 3.300 2.288 2.288 2.288 . 0 0 "[ ]" 2
97 1 39 LYS QG 1 40 ALA H 3.800 . 5.300 4.532 4.532 4.532 . 0 0 "[ ]" 2
98 1 40 ALA H 1 41 VAL MG2 3.300 . 4.800 4.332 4.332 4.332 . 0 0 "[ ]" 2
99 1 40 ALA H 1 41 VAL MG1 3.800 . 5.300 5.465 5.465 5.465 0.165 1 0 "[ ]" 2
100 1 40 ALA MB 1 41 VAL H 2.300 . 3.300 2.357 2.357 2.357 . 0 0 "[ ]" 2
101 1 41 VAL H 1 41 VAL MG2 2.300 . 3.300 2.516 2.516 2.516 . 0 0 "[ ]" 2
102 1 41 VAL H 1 41 VAL MG1 3.300 . 4.800 3.691 3.691 3.691 . 0 0 "[ ]" 2
103 1 42 PHE H 1 42 PHE QD 2.800 . 3.800 2.277 2.277 2.277 . 0 0 "[ ]" 2
104 1 42 PHE H 1 43 GLY QA 3.300 . 4.800 4.325 4.325 4.325 . 0 0 "[ ]" 2
105 1 41 VAL MG2 1 42 PHE H 3.300 . 4.800 4.006 4.006 4.006 . 0 0 "[ ]" 2
106 1 41 VAL MG1 1 42 PHE H 2.800 . 3.800 2.939 2.939 2.939 . 0 0 "[ ]" 2
107 1 43 GLY H 1 43 GLY QA 2.300 . 3.300 2.262 2.262 2.262 . 0 0 "[ ]" 2
108 1 43 GLY QA 1 44 MET H 2.800 . 3.800 2.916 2.916 2.916 . 0 0 "[ ]" 2
109 1 39 LYS QG 1 44 MET H 3.300 . 4.800 4.309 4.309 4.309 . 0 0 "[ ]" 2
110 1 39 LYS QB 1 44 MET H 3.800 . 5.300 4.475 4.475 4.475 . 0 0 "[ ]" 2
111 1 39 LYS QD 1 44 MET H 3.800 . 5.300 3.304 3.304 3.304 . 0 0 "[ ]" 2
112 1 44 MET H 1 44 MET QG 3.300 . 4.800 2.245 2.245 2.245 . 0 0 "[ ]" 2
113 1 44 MET H 1 44 MET ME 3.300 . 4.800 4.787 4.787 4.787 . 0 0 "[ ]" 2
114 1 44 MET QG 1 45 THR H 3.300 . 4.800 3.525 3.525 3.525 . 0 0 "[ ]" 2
115 1 44 MET ME 1 45 THR H 2.800 . 3.800 3.824 3.824 3.824 0.024 1 0 "[ ]" 2
116 1 45 THR H 1 45 THR MG 2.300 . 3.300 3.322 3.322 3.322 0.022 1 0 "[ ]" 2
117 1 45 THR H 1 48 ALA MB 2.800 . 3.800 2.770 2.770 2.770 . 0 0 "[ ]" 2
118 1 45 THR MG 1 46 ARG H 2.800 . 3.800 2.907 2.907 2.907 . 0 0 "[ ]" 2
119 1 46 ARG H 1 46 ARG QG 3.300 . 4.800 1.922 1.922 1.922 . 0 0 "[ ]" 2
120 1 47 SER H 1 47 SER QB 3.300 . 4.800 2.336 2.336 2.336 . 0 0 "[ ]" 2
121 1 47 SER QB 1 48 ALA H 3.300 . 4.800 2.712 2.712 2.712 . 0 0 "[ ]" 2
122 1 48 ALA H 1 48 ALA MB 2.300 . 3.300 2.288 2.288 2.288 . 0 0 "[ ]" 2
123 1 45 THR MG 1 48 ALA H 3.300 . 4.800 4.828 4.828 4.828 0.028 1 0 "[ ]" 2
124 1 49 PHE H 1 49 PHE QD 2.800 . 3.800 3.925 3.925 3.925 0.125 1 0 "[ ]" 2
125 1 49 PHE H 1 52 LEU MD1 3.800 . 5.300 4.199 4.199 4.199 . 0 0 "[ ]" 2
126 1 38 PHE QE 1 49 PHE H 3.300 . 4.800 3.919 3.919 3.919 . 0 0 "[ ]" 2
127 1 48 ALA MB 1 49 PHE H 2.300 . 3.300 2.628 2.628 2.628 . 0 0 "[ ]" 2
128 1 44 MET QG 1 49 PHE H 3.300 . 4.300 3.817 3.817 3.817 . 0 0 "[ ]" 2
129 1 49 PHE QD 1 50 ALA H 3.300 . 4.800 4.315 4.315 4.315 . 0 0 "[ ]" 2
130 1 50 ALA H 1 50 ALA MB 2.300 . 3.300 2.264 2.264 2.264 . 0 0 "[ ]" 2
131 1 50 ALA MB 1 51 ASN H 3.300 . 4.800 2.771 2.771 2.771 . 0 0 "[ ]" 2
132 1 51 ASN H 1 52 LEU MD1 3.800 . 5.300 4.827 4.827 4.827 . 0 0 "[ ]" 2
133 1 51 ASN H 1 52 LEU MD2 3.800 . 5.300 5.305 5.305 5.305 0.005 1 0 "[ ]" 2
134 1 51 ASN HB3 1 51 ASN QD 3.300 . 4.800 3.375 3.375 3.375 . 0 0 "[ ]" 2
135 1 51 ASN HB2 1 51 ASN QD 3.300 . 4.800 2.405 2.405 2.405 . 0 0 "[ ]" 2
136 1 50 ALA MB 1 52 LEU H 3.300 . 4.800 4.317 4.317 4.317 . 0 0 "[ ]" 2
137 1 52 LEU H 1 52 LEU MD2 2.800 . 3.800 3.860 3.860 3.860 0.060 1 0 "[ ]" 2
138 1 52 LEU H 1 52 LEU MD1 3.300 . 4.800 3.551 3.551 3.551 . 0 0 "[ ]" 2
139 1 54 LEU QB 1 55 TRP H 2.800 . 3.800 3.352 3.352 3.352 . 0 0 "[ ]" 2
140 1 54 LEU QD 1 55 TRP H 3.300 . 4.800 1.867 1.867 1.867 . 0 0 "[ ]" 2
141 1 56 LYS H 1 56 LYS QG 3.300 . 4.800 3.915 3.915 3.915 . 0 0 "[ ]" 2
142 1 53 PRO QG 1 56 LYS H 3.300 . 4.800 1.766 1.766 1.766 0.034 1 0 "[ ]" 2
143 1 53 PRO QD 1 56 LYS H 3.800 . 5.300 3.412 3.412 3.412 . 0 0 "[ ]" 2
144 1 56 LYS H 1 56 LYS QB 2.800 . 3.800 2.243 2.243 2.243 . 0 0 "[ ]" 2
145 1 57 GLN H 1 57 GLN QG 3.300 . 4.800 3.998 3.998 3.998 . 0 0 "[ ]" 2
146 1 56 LYS QG 1 57 GLN H 3.300 . 4.800 3.272 3.272 3.272 . 0 0 "[ ]" 2
147 1 56 LYS QB 1 57 GLN H 3.300 . 4.800 2.559 2.559 2.559 . 0 0 "[ ]" 2
148 1 52 LEU MD1 1 57 GLN H 3.800 . 5.300 3.701 3.701 3.701 . 0 0 "[ ]" 2
149 1 50 ALA HA 1 57 GLN QE 3.300 . 4.800 3.909 3.909 3.909 . 0 0 "[ ]" 2
150 1 56 LYS QG 1 57 GLN QE 3.300 . 4.800 4.846 4.846 4.846 0.046 1 0 "[ ]" 2
151 1 57 GLN QE 1 57 GLN QG 2.800 . 3.800 2.534 2.534 2.534 . 0 0 "[ ]" 2
152 1 57 GLN HA 1 57 GLN QE 3.300 . 4.800 2.904 2.904 2.904 . 0 0 "[ ]" 2
153 1 58 GLN H 1 58 GLN QG 2.800 . 3.800 2.745 2.745 2.745 . 0 0 "[ ]" 2
154 1 57 GLN QG 1 58 GLN H 3.300 . 4.800 3.362 3.362 3.362 . 0 0 "[ ]" 2
155 1 54 LEU QD 1 58 GLN H 3.300 . 4.800 4.863 4.863 4.863 0.063 1 0 "[ ]" 2
156 1 56 LYS QG 1 58 GLN H 3.800 . 5.300 5.174 5.174 5.174 . 0 0 "[ ]" 2
157 1 54 LEU QD 1 58 GLN QE 3.300 . 4.800 3.096 3.096 3.096 . 0 0 "[ ]" 2
158 1 59 ASN H 1 59 ASN QB 2.300 . 3.300 2.162 2.162 2.162 . 0 0 "[ ]" 2
159 1 59 ASN QB 1 59 ASN QD 2.800 . 3.800 2.338 2.338 2.338 . 0 0 "[ ]" 2
160 1 56 LYS HA 1 59 ASN QD 3.800 . 5.300 3.700 3.700 3.700 . 0 0 "[ ]" 2
161 1 59 ASN QB 1 60 LEU H 2.300 . 3.300 3.088 3.088 3.088 . 0 0 "[ ]" 2
162 1 60 LEU H 1 60 LEU MD1 2.800 . 3.800 3.567 3.567 3.567 . 0 0 "[ ]" 2
163 1 60 LEU H 1 60 LEU MD2 2.800 . 3.800 3.849 3.849 3.849 0.049 1 0 "[ ]" 2
164 1 49 PHE QE 1 60 LEU H 3.800 . 5.300 5.097 5.097 5.097 . 0 0 "[ ]" 2
165 1 59 ASN QB 1 61 LYS H 3.300 . 4.800 4.877 4.877 4.877 0.077 1 0 "[ ]" 2
166 1 42 PHE QE 1 61 LYS H 3.800 . 5.300 3.327 3.327 3.327 . 0 0 "[ ]" 2
167 1 61 LYS H 1 61 LYS QG 2.800 . 3.800 2.483 2.483 2.483 . 0 0 "[ ]" 2
168 1 61 LYS H 1 61 LYS QB 2.300 . 3.300 2.423 2.423 2.423 . 0 0 "[ ]" 2
169 1 61 LYS QB 1 62 LYS H 2.800 . 3.800 2.556 2.556 2.556 . 0 0 "[ ]" 2
170 1 62 LYS H 1 62 LYS QB 2.300 . 3.300 2.171 2.171 2.171 . 0 0 "[ ]" 2
171 1 62 LYS H 1 62 LYS QG 2.800 . 3.800 3.834 3.834 3.834 0.034 1 0 "[ ]" 2
172 1 62 LYS QG 1 63 GLU H 3.800 . 5.300 4.483 4.483 4.483 . 0 0 "[ ]" 2
173 1 63 GLU H 1 63 GLU QG 2.800 . 3.800 3.379 3.379 3.379 . 0 0 "[ ]" 2
174 1 62 LYS QB 1 63 GLU H 2.300 . 3.300 3.122 3.122 3.122 . 0 0 "[ ]" 2
175 1 62 LYS QD 1 63 GLU H 3.800 . 5.300 4.883 4.883 4.883 . 0 0 "[ ]" 2
176 1 64 LYS H 1 64 LYS QB 2.800 . 3.800 2.142 2.142 2.142 . 0 0 "[ ]" 2
177 1 64 LYS H 1 64 LYS QD 3.300 . 4.800 4.511 4.511 4.511 . 0 0 "[ ]" 2
178 1 65 GLY H 1 65 GLY QA 2.300 . 3.300 2.500 2.500 2.500 . 0 0 "[ ]" 2
179 1 64 LYS QD 1 65 GLY H 3.300 . 4.800 3.959 3.959 3.959 . 0 0 "[ ]" 2
180 1 64 LYS QB 1 65 GLY H 3.800 . 5.300 2.403 2.403 2.403 . 0 0 "[ ]" 2
181 1 65 GLY QA 1 66 LEU H 3.300 . 4.800 2.458 2.458 2.458 . 0 0 "[ ]" 2
182 1 66 LEU H 1 66 LEU QD 3.300 . 4.800 3.199 3.199 3.199 . 0 0 "[ ]" 2
183 1 66 LEU H 1 66 LEU QB 2.800 . 3.800 3.018 3.018 3.018 . 0 0 "[ ]" 2
184 1 64 LYS QB 1 66 LEU H 3.800 . 5.300 4.567 4.567 4.567 . 0 0 "[ ]" 2
185 1 67 PHE H 1 67 PHE QD 3.300 . 4.800 2.887 2.887 2.887 . 0 0 "[ ]" 2
186 1 66 LEU QD 1 67 PHE H 3.800 . 5.300 3.649 3.649 3.649 . 0 0 "[ ]" 2
187 1 66 LEU QB 1 67 PHE H 3.300 . 4.800 2.517 2.517 2.517 . 0 0 "[ ]" 2
188 1 61 LYS QB 1 67 PHE H 3.800 . 5.300 2.514 2.514 2.514 . 0 0 "[ ]" 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 123
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 1.921
_Distance_constraint_stats_list.Viol_max 0.227
_Distance_constraint_stats_list.Viol_rms 0.0471
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0156
_Distance_constraint_stats_list.Viol_average_violations_only 0.1011
_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 2 THR 0.000 0.000 . 0 "[ ]"
1 6 THR 0.000 0.000 . 0 "[ ]"
1 7 PHE 0.093 0.093 1 0 "[ ]"
1 8 PRO 0.093 0.093 1 0 "[ ]"
1 9 LEU 0.017 0.017 1 0 "[ ]"
1 10 ASP 0.000 0.000 . 0 "[ ]"
1 11 VAL 0.000 0.000 . 0 "[ ]"
1 12 LEU 0.397 0.164 1 0 "[ ]"
1 13 VAL 0.316 0.201 1 0 "[ ]"
1 15 THR 0.000 0.000 . 0 "[ ]"
1 16 ALA 0.129 0.129 1 0 "[ ]"
1 17 ALA 0.000 0.000 . 0 "[ ]"
1 19 ASP 0.129 0.129 1 0 "[ ]"
1 20 LEU 0.122 0.119 1 0 "[ ]"
1 21 PRO 0.000 0.000 . 0 "[ ]"
1 24 VAL 0.003 0.003 1 0 "[ ]"
1 27 SER 0.000 0.000 . 0 "[ ]"
1 28 ARG 0.000 0.000 . 0 "[ ]"
1 29 LYS 0.000 0.000 . 0 "[ ]"
1 30 GLU 0.000 0.000 . 0 "[ ]"
1 31 ASN 0.005 0.005 1 0 "[ ]"
1 32 HIS 0.005 0.005 1 0 "[ ]"
1 33 LEU 0.017 0.017 1 0 "[ ]"
1 34 SER 0.102 0.102 1 0 "[ ]"
1 36 GLU 0.000 0.000 . 0 "[ ]"
1 37 ASP 0.102 0.102 1 0 "[ ]"
1 38 PHE 0.090 0.048 1 0 "[ ]"
1 39 LYS 0.095 0.048 1 0 "[ ]"
1 41 VAL 0.000 0.000 . 0 "[ ]"
1 42 PHE 0.030 0.030 1 0 "[ ]"
1 44 MET 0.000 0.000 . 0 "[ ]"
1 45 THR 0.217 0.171 1 0 "[ ]"
1 46 ARG 0.220 0.171 1 0 "[ ]"
1 48 ALA 0.000 0.000 . 0 "[ ]"
1 49 PHE 0.008 0.008 1 0 "[ ]"
1 51 ASN 0.000 0.000 . 0 "[ ]"
1 52 LEU 0.000 0.000 . 0 "[ ]"
1 53 PRO 0.212 0.212 1 0 "[ ]"
1 54 LEU 0.000 0.000 . 0 "[ ]"
1 55 TRP 0.212 0.212 1 0 "[ ]"
1 56 LYS 0.000 0.000 . 0 "[ ]"
1 57 GLN 0.000 0.000 . 0 "[ ]"
1 60 LEU 0.220 0.189 1 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 62 LYS 0.000 0.000 . 0 "[ ]"
1 63 GLU 0.000 0.000 . 0 "[ ]"
1 64 LYS 0.000 0.000 . 0 "[ ]"
1 65 GLY 0.000 0.000 . 0 "[ ]"
1 66 LEU 0.227 0.227 1 0 "[ ]"
1 67 PHE 0.227 0.227 1 0 "[ ]"
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 2 THR HA 1 2 THR HB 2.800 . 3.300 2.997 2.997 2.997 . 0 0 "[ ]" 3
2 1 7 PHE H 1 32 HIS HA 3.300 . 4.300 4.099 4.099 4.099 . 0 0 "[ ]" 3
3 1 7 PHE H 1 32 HIS HB3 3.800 . 4.800 3.469 3.469 3.469 . 0 0 "[ ]" 3
4 1 7 PHE H 1 32 HIS HB2 3.800 . 4.800 4.763 4.763 4.763 . 0 0 "[ ]" 3
5 1 7 PHE H 1 33 LEU HA 3.800 . 4.800 4.188 4.188 4.188 . 0 0 "[ ]" 3
6 1 7 PHE HA 1 8 PRO HB3 3.800 . 4.800 4.893 4.893 4.893 0.093 1 0 "[ ]" 3
7 1 9 LEU HA 1 12 LEU HB2 3.300 . 4.300 2.386 2.386 2.386 . 0 0 "[ ]" 3
8 1 9 LEU HA 1 33 LEU HA 3.800 . 4.800 4.817 4.817 4.817 0.017 1 0 "[ ]" 3
9 1 8 PRO HA 1 9 LEU HA 3.800 . 4.800 4.401 4.401 4.401 . 0 0 "[ ]" 3
10 1 11 VAL HA 1 11 VAL HB 2.800 . 3.300 3.035 3.035 3.035 . 0 0 "[ ]" 3
11 1 12 LEU HA 1 12 LEU HG 3.800 . 4.800 2.520 2.520 2.520 . 0 0 "[ ]" 3
12 1 10 ASP HA 1 12 LEU H 3.800 . 4.800 4.183 4.183 4.183 . 0 0 "[ ]" 3
13 1 12 LEU HB2 1 12 LEU HG 2.300 . 2.800 2.964 2.964 2.964 0.164 1 0 "[ ]" 3
14 1 31 ASN H 1 32 HIS HD2 3.300 . 4.300 3.762 3.762 3.762 . 0 0 "[ ]" 3
15 1 24 VAL HA 1 32 HIS HD2 3.300 . 4.300 3.907 3.907 3.907 . 0 0 "[ ]" 3
16 1 34 SER HA 1 37 ASP HB3 3.800 . 5.300 5.402 5.402 5.402 0.102 1 0 "[ ]" 3
17 1 36 GLU H 1 37 ASP HA 3.800 . 5.300 5.145 5.145 5.145 . 0 0 "[ ]" 3
18 1 42 PHE HZ 1 60 LEU HB3 3.300 . 4.300 4.330 4.330 4.330 0.030 1 0 "[ ]" 3
19 1 42 PHE HZ 1 66 LEU HG 3.300 . 4.300 4.261 4.261 4.261 . 0 0 "[ ]" 3
20 1 30 GLU HA 1 42 PHE HZ 3.800 . 4.800 4.423 4.423 4.423 . 0 0 "[ ]" 3
21 1 48 ALA HA 1 51 ASN HB3 3.300 . 4.300 4.201 4.201 4.201 . 0 0 "[ ]" 3
22 1 48 ALA HA 1 51 ASN HB2 3.300 . 4.300 2.980 2.980 2.980 . 0 0 "[ ]" 3
23 1 52 LEU HA 1 52 LEU HB2 2.800 . 3.300 3.002 3.002 3.002 . 0 0 "[ ]" 3
24 1 52 LEU HA 1 52 LEU HG 3.300 . 4.300 2.624 2.624 2.624 . 0 0 "[ ]" 3
25 1 55 TRP HA 1 55 TRP HD1 3.800 . 4.800 4.433 4.433 4.433 . 0 0 "[ ]" 3
26 1 60 LEU HB3 1 60 LEU HG 2.300 . 2.800 2.989 2.989 2.989 0.189 1 0 "[ ]" 3
27 1 63 GLU HA 1 63 GLU HB3 2.800 . 3.300 2.842 2.842 2.842 . 0 0 "[ ]" 3
28 1 63 GLU HA 1 63 GLU HB2 2.800 . 3.300 2.877 2.877 2.877 . 0 0 "[ ]" 3
29 1 38 PHE HZ 1 49 PHE HB3 2.800 . 3.300 3.181 3.181 3.181 . 0 0 "[ ]" 3
30 1 38 PHE HZ 1 49 PHE HB2 2.800 . 3.300 2.302 2.302 2.302 . 0 0 "[ ]" 3
31 1 44 MET HA 1 44 MET HB3 2.800 . 3.300 2.458 2.458 2.458 . 0 0 "[ ]" 3
32 1 44 MET HA 1 44 MET HB2 2.800 . 3.300 2.462 2.462 2.462 . 0 0 "[ ]" 3
33 1 49 PHE HA 1 49 PHE HB3 2.800 . 3.300 2.997 2.997 2.997 . 0 0 "[ ]" 3
34 1 49 PHE HA 1 49 PHE HB2 2.800 . 3.300 2.623 2.623 2.623 . 0 0 "[ ]" 3
35 1 13 VAL HA 1 13 VAL HB 2.300 . 2.800 3.001 3.001 3.001 0.201 1 0 "[ ]" 3
36 1 67 PHE HA 1 67 PHE HB2 2.800 . 3.300 2.973 2.973 2.973 . 0 0 "[ ]" 3
37 1 12 LEU HB3 1 12 LEU HG 2.800 . 3.300 2.360 2.360 2.360 . 0 0 "[ ]" 3
38 1 54 LEU HA 1 54 LEU HG 3.300 . 4.300 3.540 3.540 3.540 . 0 0 "[ ]" 3
39 1 41 VAL HA 1 41 VAL HB 2.800 . 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 3
40 1 53 PRO HA 1 53 PRO HB3 2.800 . 3.300 2.296 2.296 2.296 . 0 0 "[ ]" 3
41 1 67 PHE HA 1 67 PHE HB3 2.800 . 3.300 2.682 2.682 2.682 . 0 0 "[ ]" 3
42 1 37 ASP HA 1 37 ASP HB2 2.800 . 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 3
43 1 6 THR HA 1 6 THR HB 2.800 . 3.300 2.559 2.559 2.559 . 0 0 "[ ]" 3
44 1 46 ARG HA 1 46 ARG HB3 2.800 . 3.300 2.417 2.417 2.417 . 0 0 "[ ]" 3
45 1 55 TRP HZ3 1 56 LYS HA 3.800 . 4.800 3.823 3.823 3.823 . 0 0 "[ ]" 3
46 1 55 TRP HA 1 56 LYS HA 3.800 . 4.800 4.754 4.754 4.754 . 0 0 "[ ]" 3
47 1 28 ARG H 1 28 ARG HA 2.800 . 3.300 2.977 2.977 2.977 . 0 0 "[ ]" 3
48 1 9 LEU HA 1 9 LEU HG 3.300 . 4.300 3.524 3.524 3.524 . 0 0 "[ ]" 3
49 1 31 ASN HB3 1 32 HIS HD2 3.300 . 4.300 4.305 4.305 4.305 0.005 1 0 "[ ]" 3
50 1 55 TRP HE3 1 56 LYS HA 2.800 . 3.300 3.255 3.255 3.255 . 0 0 "[ ]" 3
51 1 20 LEU HB3 1 20 LEU HG 2.800 . 3.300 2.928 2.928 2.928 . 0 0 "[ ]" 3
52 1 20 LEU HA 1 24 VAL HB 3.300 . 4.300 4.303 4.303 4.303 0.003 1 0 "[ ]" 3
53 1 19 ASP H 1 19 ASP HA 2.800 . 3.300 2.953 2.953 2.953 . 0 0 "[ ]" 3
54 1 46 ARG HA 1 46 ARG HB2 2.800 . 3.300 2.508 2.508 2.508 . 0 0 "[ ]" 3
55 1 53 PRO HB2 1 55 TRP HD1 2.800 . 3.300 1.894 1.894 1.894 . 0 0 "[ ]" 3
56 1 53 PRO HB3 1 55 TRP HD1 2.800 . 3.300 3.177 3.177 3.177 . 0 0 "[ ]" 3
57 1 12 LEU HB3 1 20 LEU HA 3.300 . 4.300 4.419 4.419 4.419 0.119 1 0 "[ ]" 3
58 1 37 ASP HA 1 37 ASP HB3 2.800 . 3.300 2.607 2.607 2.607 . 0 0 "[ ]" 3
59 1 31 ASN HB2 1 32 HIS HD2 3.300 . 4.300 3.981 3.981 3.981 . 0 0 "[ ]" 3
60 1 49 PHE HZ 1 57 GLN HA 3.300 . 4.300 3.635 3.635 3.635 . 0 0 "[ ]" 3
61 1 24 VAL HA 1 32 HIS HE1 2.800 . 3.300 2.484 2.484 2.484 . 0 0 "[ ]" 3
62 1 42 PHE HZ 1 61 LYS HA 2.800 . 3.300 2.262 2.262 2.262 . 0 0 "[ ]" 3
63 1 38 PHE HZ 1 46 ARG HA 2.800 . 3.300 3.341 3.341 3.341 0.041 1 0 "[ ]" 3
64 1 45 THR HA 1 46 ARG HA 3.800 . 4.800 4.381 4.381 4.381 . 0 0 "[ ]" 3
65 1 45 THR HA 1 45 THR HB 2.800 . 3.300 2.762 2.762 2.762 . 0 0 "[ ]" 3
66 1 46 ARG HA 1 49 PHE HA 3.800 . 4.800 4.808 4.808 4.808 0.008 1 0 "[ ]" 3
67 1 38 PHE HZ 1 49 PHE HA 3.300 . 4.300 4.297 4.297 4.297 . 0 0 "[ ]" 3
68 1 45 THR HB 1 48 ALA H 3.300 . 4.300 3.477 3.477 3.477 . 0 0 "[ ]" 3
69 1 12 LEU HG 1 13 VAL H 3.300 . 4.300 4.414 4.414 4.414 0.114 1 0 "[ ]" 3
70 1 28 ARG HA 1 29 LYS H 3.300 . 4.300 2.487 2.487 2.487 . 0 0 "[ ]" 3
71 1 6 THR H 1 6 THR HB 3.300 . 4.300 3.820 3.820 3.820 . 0 0 "[ ]" 3
72 1 60 LEU HA 1 60 LEU HG 3.300 . 4.300 2.682 2.682 2.682 . 0 0 "[ ]" 3
73 1 45 THR H 1 46 ARG H 3.300 . 4.300 4.471 4.471 4.471 0.171 1 0 "[ ]" 3
74 1 39 LYS HA 1 45 THR H 3.800 . 4.800 4.847 4.847 4.847 0.047 1 0 "[ ]" 3
75 1 19 ASP HA 1 20 LEU H 3.300 . 4.300 3.587 3.587 3.587 . 0 0 "[ ]" 3
76 1 60 LEU HA 1 63 GLU H 3.300 . 4.300 3.616 3.616 3.616 . 0 0 "[ ]" 3
77 1 54 LEU H 1 55 TRP H 3.800 . 4.800 1.969 1.969 1.969 . 0 0 "[ ]" 3
78 1 16 ALA HA 1 19 ASP H 3.300 . 4.300 4.429 4.429 4.429 0.129 1 0 "[ ]" 3
79 1 49 PHE HA 1 52 LEU HG 3.300 . 4.300 2.495 2.495 2.495 . 0 0 "[ ]" 3
80 1 15 THR HB 1 16 ALA H 3.800 . 4.800 1.856 1.856 1.856 . 0 0 "[ ]" 3
81 1 33 LEU HB3 1 34 SER H 3.300 . 4.300 3.518 3.518 3.518 . 0 0 "[ ]" 3
82 1 33 LEU HG 1 34 SER H 3.800 . 5.300 3.942 3.942 3.942 . 0 0 "[ ]" 3
83 1 34 SER H 1 37 ASP HB3 3.800 . 4.800 3.147 3.147 3.147 . 0 0 "[ ]" 3
84 1 53 PRO HB2 1 55 TRP HE1 3.300 . 4.300 2.696 2.696 2.696 . 0 0 "[ ]" 3
85 1 15 THR H 1 16 ALA H 3.300 . 4.300 3.971 3.971 3.971 . 0 0 "[ ]" 3
86 1 16 ALA H 1 17 ALA H 3.800 . 4.800 4.304 4.304 4.304 . 0 0 "[ ]" 3
87 1 53 PRO HB3 1 55 TRP HE1 3.300 . 4.300 2.433 2.433 2.433 . 0 0 "[ ]" 3
88 1 53 PRO HB3 1 54 LEU H 3.800 . 4.800 3.414 3.414 3.414 . 0 0 "[ ]" 3
89 1 53 PRO HB2 1 54 LEU H 3.800 . 4.800 2.050 2.050 2.050 . 0 0 "[ ]" 3
90 1 65 GLY H 1 67 PHE H 3.800 . 4.800 4.165 4.165 4.165 . 0 0 "[ ]" 3
91 1 61 LYS HA 1 64 LYS H 3.800 . 4.800 4.031 4.031 4.031 . 0 0 "[ ]" 3
92 1 62 LYS HA 1 64 LYS H 3.800 . 4.800 4.669 4.669 4.669 . 0 0 "[ ]" 3
93 1 31 ASN HA 1 31 ASN HB3 2.800 . 3.300 2.805 2.805 2.805 . 0 0 "[ ]" 3
94 1 6 THR HB 1 34 SER H 3.800 . 4.800 4.023 4.023 4.023 . 0 0 "[ ]" 3
95 1 63 GLU H 1 65 GLY H 3.800 . 4.800 4.326 4.326 4.326 . 0 0 "[ ]" 3
96 1 33 LEU HB2 1 34 SER H 3.800 . 4.800 4.461 4.461 4.461 . 0 0 "[ ]" 3
97 1 30 GLU H 1 32 HIS H 3.800 . 4.800 4.286 4.286 4.286 . 0 0 "[ ]" 3
98 1 30 GLU HA 1 33 LEU H 3.800 . 4.800 3.629 3.629 3.629 . 0 0 "[ ]" 3
99 1 34 SER H 1 37 ASP HB2 3.800 . 4.800 2.067 2.067 2.067 . 0 0 "[ ]" 3
100 1 33 LEU HA 1 33 LEU HG 3.800 . 4.800 2.093 2.093 2.093 . 0 0 "[ ]" 3
101 1 8 PRO HA 1 8 PRO HB3 2.300 . 2.800 2.300 2.300 2.300 . 0 0 "[ ]" 3
102 1 21 PRO HA 1 21 PRO HB3 2.800 . 3.300 2.297 2.297 2.297 . 0 0 "[ ]" 3
103 1 42 PHE HA 1 42 PHE HB3 2.800 . 3.300 2.589 2.589 2.589 . 0 0 "[ ]" 3
104 1 42 PHE HA 1 42 PHE HB2 2.800 . 3.300 3.005 3.005 3.005 . 0 0 "[ ]" 3
105 1 51 ASN HA 1 51 ASN HB3 2.800 . 3.300 2.819 2.819 2.819 . 0 0 "[ ]" 3
106 1 51 ASN HA 1 51 ASN HB2 2.800 . 3.300 2.896 2.896 2.896 . 0 0 "[ ]" 3
107 1 55 TRP HA 1 55 TRP HB3 2.800 . 3.300 2.498 2.498 2.498 . 0 0 "[ ]" 3
108 1 55 TRP HA 1 55 TRP HB2 2.800 . 3.300 2.443 2.443 2.443 . 0 0 "[ ]" 3
109 1 55 TRP HB3 1 55 TRP HD1 2.800 . 3.300 2.702 2.702 2.702 . 0 0 "[ ]" 3
110 1 55 TRP HB2 1 55 TRP HD1 3.300 . 4.300 3.839 3.839 3.839 . 0 0 "[ ]" 3
111 1 55 TRP HA 1 55 TRP HE3 3.800 . 4.800 4.200 4.200 4.200 . 0 0 "[ ]" 3
112 1 55 TRP HB3 1 55 TRP HE3 3.300 . 4.300 4.089 4.089 4.089 . 0 0 "[ ]" 3
113 1 55 TRP HB2 1 55 TRP HE3 2.800 . 3.300 2.557 2.557 2.557 . 0 0 "[ ]" 3
114 1 57 GLN HA 1 57 GLN HB3 2.800 . 3.300 3.032 3.032 3.032 . 0 0 "[ ]" 3
115 1 60 LEU HA 1 63 GLU HB2 2.800 . 3.300 2.592 2.592 2.592 . 0 0 "[ ]" 3
116 1 27 SER HA 1 27 SER HB3 2.800 . 3.300 3.023 3.023 3.023 . 0 0 "[ ]" 3
117 1 27 SER HA 1 27 SER HB2 2.800 . 3.300 2.587 2.587 2.587 . 0 0 "[ ]" 3
118 1 28 ARG HA 1 28 ARG HB3 2.800 . 3.300 2.603 2.603 2.603 . 0 0 "[ ]" 3
119 1 28 ARG HA 1 28 ARG HB2 2.800 . 3.300 3.017 3.017 3.017 . 0 0 "[ ]" 3
120 1 53 PRO HA 1 55 TRP HD1 3.300 . 4.300 4.512 4.512 4.512 0.212 1 0 "[ ]" 3
121 1 66 LEU H 1 67 PHE HA 3.300 . 4.300 4.527 4.527 4.527 0.227 1 0 "[ ]" 3
122 1 38 PHE HB3 1 39 LYS HA 3.300 . 4.300 4.348 4.348 4.348 0.048 1 0 "[ ]" 3
123 1 38 PHE HA 1 41 VAL HB 3.300 . 4.300 3.279 3.279 3.279 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 420
_Distance_constraint_stats_list.Viol_count 38
_Distance_constraint_stats_list.Viol_total 2.054
_Distance_constraint_stats_list.Viol_max 0.165
_Distance_constraint_stats_list.Viol_rms 0.0212
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0541
_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 2 THR 0.000 0.000 . 0 "[ ]"
1 3 LYS 0.000 0.000 . 0 "[ ]"
1 4 LEU 0.004 0.004 1 0 "[ ]"
1 5 GLU 0.000 0.000 . 0 "[ ]"
1 6 THR 0.000 0.000 . 0 "[ ]"
1 7 PHE 0.185 0.133 1 0 "[ ]"
1 8 PRO 0.000 0.000 . 0 "[ ]"
1 9 LEU 0.197 0.118 1 0 "[ ]"
1 10 ASP 0.091 0.091 1 0 "[ ]"
1 11 VAL 0.234 0.133 1 0 "[ ]"
1 12 LEU 0.635 0.143 1 0 "[ ]"
1 13 VAL 0.353 0.143 1 0 "[ ]"
1 14 ASN 0.000 0.000 . 0 "[ ]"
1 15 THR 0.000 0.000 . 0 "[ ]"
1 16 ALA 0.012 0.012 1 0 "[ ]"
1 17 ALA 0.031 0.031 1 0 "[ ]"
1 18 GLU 0.000 0.000 . 0 "[ ]"
1 19 ASP 0.074 0.062 1 0 "[ ]"
1 20 LEU 0.302 0.093 1 0 "[ ]"
1 21 PRO 0.004 0.004 1 0 "[ ]"
1 22 ARG 0.163 0.163 1 0 "[ ]"
1 23 GLY 0.163 0.163 1 0 "[ ]"
1 24 VAL 0.100 0.080 1 0 "[ ]"
1 25 ASP 0.000 0.000 . 0 "[ ]"
1 26 PRO 0.020 0.020 1 0 "[ ]"
1 27 SER 0.000 0.000 . 0 "[ ]"
1 28 ARG 0.000 0.000 . 0 "[ ]"
1 29 LYS 0.013 0.013 1 0 "[ ]"
1 30 GLU 0.020 0.010 1 0 "[ ]"
1 31 ASN 0.004 0.004 1 0 "[ ]"
1 32 HIS 0.006 0.006 1 0 "[ ]"
1 33 LEU 0.107 0.052 1 0 "[ ]"
1 34 SER 0.000 0.000 . 0 "[ ]"
1 35 ASP 0.055 0.055 1 0 "[ ]"
1 36 GLU 0.000 0.000 . 0 "[ ]"
1 37 ASP 0.000 0.000 . 0 "[ ]"
1 38 PHE 0.163 0.055 1 0 "[ ]"
1 39 LYS 0.000 0.000 . 0 "[ ]"
1 40 ALA 0.000 0.000 . 0 "[ ]"
1 41 VAL 0.039 0.039 1 0 "[ ]"
1 42 PHE 0.039 0.039 1 0 "[ ]"
1 44 MET 0.089 0.089 1 0 "[ ]"
1 45 THR 0.000 0.000 . 0 "[ ]"
1 46 ARG 0.000 0.000 1 0 "[ ]"
1 47 SER 0.000 0.000 . 0 "[ ]"
1 48 ALA 0.000 0.000 . 0 "[ ]"
1 49 PHE 0.000 0.000 . 0 "[ ]"
1 50 ALA 0.000 0.000 . 0 "[ ]"
1 52 LEU 0.041 0.041 1 0 "[ ]"
1 53 PRO 0.165 0.165 1 0 "[ ]"
1 54 LEU 0.177 0.165 1 0 "[ ]"
1 55 TRP 0.000 0.000 . 0 "[ ]"
1 56 LYS 0.000 0.000 . 0 "[ ]"
1 57 GLN 0.077 0.077 1 0 "[ ]"
1 58 GLN 0.062 0.050 1 0 "[ ]"
1 59 ASN 0.000 0.000 . 0 "[ ]"
1 60 LEU 0.041 0.041 1 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 62 LYS 0.001 0.001 1 0 "[ ]"
1 63 GLU 0.000 0.000 . 0 "[ ]"
1 64 LYS 0.000 0.000 . 0 "[ ]"
1 65 GLY 0.000 0.000 . 0 "[ ]"
1 66 LEU 0.065 0.065 1 0 "[ ]"
1 67 PHE 0.206 0.077 1 0 "[ ]"
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 2 THR HA 1 2 THR MG 3.300 . 4.800 2.024 2.024 2.024 . 0 0 "[ ]" 4
2 1 3 LYS HA 1 3 LYS QD 2.800 . 3.800 3.521 3.521 3.521 . 0 0 "[ ]" 4
3 1 3 LYS QD 1 3 LYS QG 2.300 . 3.300 2.101 2.101 2.101 . 0 0 "[ ]" 4
4 1 3 LYS HA 1 3 LYS QG 3.800 . 5.300 2.029 2.029 2.029 . 0 0 "[ ]" 4
5 1 4 LEU HA 1 4 LEU MD1 3.300 . 4.800 3.913 3.913 3.913 . 0 0 "[ ]" 4
6 1 4 LEU MD1 1 31 ASN HB3 3.300 . 4.800 2.763 2.763 2.763 . 0 0 "[ ]" 4
7 1 4 LEU MD1 1 31 ASN HB2 3.800 . 5.300 4.169 4.169 4.169 . 0 0 "[ ]" 4
8 1 4 LEU MD1 1 32 HIS HE1 3.300 . 4.800 3.084 3.084 3.084 . 0 0 "[ ]" 4
9 1 4 LEU HA 1 4 LEU HG 3.800 . 5.300 3.531 3.531 3.531 . 0 0 "[ ]" 4
10 1 6 THR HA 1 6 THR MG 2.800 . 3.800 2.233 2.233 2.233 . 0 0 "[ ]" 4
11 1 7 PHE QD 1 24 VAL MG1 3.800 . 5.300 4.337 4.337 4.337 . 0 0 "[ ]" 4
12 1 7 PHE QD 1 11 VAL HB 3.800 . 5.300 3.897 3.897 3.897 . 0 0 "[ ]" 4
13 1 9 LEU QB 1 12 LEU HB3 3.300 . 4.800 4.918 4.918 4.918 0.118 1 0 "[ ]" 4
14 1 8 PRO HA 1 9 LEU QB 3.800 . 5.300 4.564 4.564 4.564 . 0 0 "[ ]" 4
15 1 9 LEU HA 1 12 LEU MD1 3.300 . 4.800 3.486 3.486 3.486 . 0 0 "[ ]" 4
16 1 9 LEU HA 1 20 LEU MD2 3.800 . 5.300 5.211 5.211 5.211 . 0 0 "[ ]" 4
17 1 9 LEU HA 1 66 LEU QD 3.800 . 5.300 4.881 4.881 4.881 . 0 0 "[ ]" 4
18 1 8 PRO QD 1 11 VAL HB 3.800 . 5.300 2.882 2.882 2.882 . 0 0 "[ ]" 4
19 1 13 VAL HA 1 20 LEU MD2 3.300 . 4.800 3.815 3.815 3.815 . 0 0 "[ ]" 4
20 1 10 ASP QB 1 14 ASN QD 3.300 . 4.800 3.294 3.294 3.294 . 0 0 "[ ]" 4
21 1 10 ASP QB 1 12 LEU MD1 3.800 . 5.300 5.016 5.016 5.016 . 0 0 "[ ]" 4
22 1 16 ALA H 1 19 ASP QB 3.300 . 4.300 2.884 2.884 2.884 . 0 0 "[ ]" 4
23 1 19 ASP QB 1 20 LEU MD2 3.300 . 4.800 4.181 4.181 4.181 . 0 0 "[ ]" 4
24 1 12 LEU MD1 1 20 LEU HB2 3.300 . 4.800 4.893 4.893 4.893 0.093 1 0 "[ ]" 4
25 1 20 LEU MD1 1 21 PRO QD 3.800 . 5.300 4.224 4.224 4.224 . 0 0 "[ ]" 4
26 1 12 LEU MD2 1 21 PRO QD 3.800 . 5.300 3.740 3.740 3.740 . 0 0 "[ ]" 4
27 1 20 LEU MD2 1 24 VAL MG1 3.300 . 4.800 1.784 1.784 1.784 0.016 1 0 "[ ]" 4
28 1 21 PRO HA 1 21 PRO QG 3.300 . 4.800 3.556 3.556 3.556 . 0 0 "[ ]" 4
29 1 21 PRO HA 1 24 VAL MG2 3.800 . 5.300 4.184 4.184 4.184 . 0 0 "[ ]" 4
30 1 21 PRO HB2 1 21 PRO QD 3.300 . 4.800 3.572 3.572 3.572 . 0 0 "[ ]" 4
31 1 22 ARG HA 1 22 ARG QD 3.800 . 5.300 3.896 3.896 3.896 . 0 0 "[ ]" 4
32 1 22 ARG HA 1 23 GLY QA 2.800 . 3.800 3.963 3.963 3.963 0.163 1 0 "[ ]" 4
33 1 22 ARG HA 1 22 ARG QG 3.300 . 4.800 2.014 2.014 2.014 . 0 0 "[ ]" 4
34 1 20 LEU HB2 1 24 VAL MG2 3.300 . 4.800 3.824 3.824 3.824 . 0 0 "[ ]" 4
35 1 25 ASP QB 1 28 ARG QG 3.800 . 5.300 4.284 4.284 4.284 . 0 0 "[ ]" 4
36 1 25 ASP QB 1 27 SER HB3 3.800 . 5.300 3.532 3.532 3.532 . 0 0 "[ ]" 4
37 1 28 ARG HA 1 28 ARG QG 3.300 . 4.800 2.156 2.156 2.156 . 0 0 "[ ]" 4
38 1 29 LYS HA 1 29 LYS QG 2.800 . 3.800 2.442 2.442 2.442 . 0 0 "[ ]" 4
39 1 29 LYS H 1 66 LEU QD 3.800 . 5.300 3.322 3.322 3.322 . 0 0 "[ ]" 4
40 1 29 LYS H 1 61 LYS QD 3.800 . 5.300 3.435 3.435 3.435 . 0 0 "[ ]" 4
41 1 30 GLU H 1 30 GLU QG 3.800 . 5.300 2.283 2.283 2.283 . 0 0 "[ ]" 4
42 1 29 LYS QD 1 30 GLU H 3.800 . 5.300 5.244 5.244 5.244 . 0 0 "[ ]" 4
43 1 30 GLU H 1 66 LEU QD 3.800 . 5.300 2.523 2.523 2.523 . 0 0 "[ ]" 4
44 1 30 GLU H 1 38 PHE QE 3.800 . 5.300 5.310 5.310 5.310 0.010 1 0 "[ ]" 4
45 1 30 GLU H 1 42 PHE QE 3.800 . 5.300 4.159 4.159 4.159 . 0 0 "[ ]" 4
46 1 30 GLU H 1 30 GLU QB 3.300 . 4.800 2.467 2.467 2.467 . 0 0 "[ ]" 4
47 1 31 ASN HA 1 31 ASN QD 3.800 . 5.300 3.031 3.031 3.031 . 0 0 "[ ]" 4
48 1 31 ASN H 1 31 ASN QD 3.800 . 5.300 3.061 3.061 3.061 . 0 0 "[ ]" 4
49 1 4 LEU MD1 1 31 ASN QD 3.800 . 5.300 5.304 5.304 5.304 0.004 1 0 "[ ]" 4
50 1 24 VAL MG1 1 32 HIS HE1 3.800 . 5.300 3.951 3.951 3.951 . 0 0 "[ ]" 4
51 1 24 VAL MG2 1 32 HIS HE1 3.300 . 4.800 3.696 3.696 3.696 . 0 0 "[ ]" 4
52 1 33 LEU MD1 1 33 LEU MD2 2.300 . 3.300 2.055 2.055 2.055 . 0 0 "[ ]" 4
53 1 34 SER H 1 34 SER QB 2.800 . 3.800 2.180 2.180 2.180 . 0 0 "[ ]" 4
54 1 33 LEU MD1 1 37 ASP HB3 3.800 . 5.300 3.555 3.555 3.555 . 0 0 "[ ]" 4
55 1 38 PHE HA 1 41 VAL MG2 3.300 . 4.800 4.447 4.447 4.447 . 0 0 "[ ]" 4
56 1 38 PHE QD 1 45 THR HA 3.800 . 5.300 2.804 2.804 2.804 . 0 0 "[ ]" 4
57 1 39 LYS HA 1 39 LYS QG 3.300 . 4.800 2.349 2.349 2.349 . 0 0 "[ ]" 4
58 1 44 MET ME 1 48 ALA MB 3.800 . 5.300 1.883 1.883 1.883 . 0 0 "[ ]" 4
59 1 52 LEU HB3 1 52 LEU MD2 3.300 . 4.800 2.292 2.292 2.292 . 0 0 "[ ]" 4
60 1 52 LEU HB2 1 52 LEU MD2 3.300 . 4.800 3.190 3.190 3.190 . 0 0 "[ ]" 4
61 1 53 PRO HA 1 53 PRO QG 3.300 . 4.800 3.547 3.547 3.547 . 0 0 "[ ]" 4
62 1 53 PRO QG 1 56 LYS QB 3.800 . 5.300 1.905 1.905 1.905 . 0 0 "[ ]" 4
63 1 53 PRO HB2 1 56 LYS QB 3.800 . 5.300 4.079 4.079 4.079 . 0 0 "[ ]" 4
64 1 53 PRO QG 1 56 LYS QG 3.300 . 4.800 3.749 3.749 3.749 . 0 0 "[ ]" 4
65 1 53 PRO QG 1 54 LEU QD 2.800 . 3.800 3.965 3.965 3.965 0.165 1 0 "[ ]" 4
66 1 53 PRO QG 1 55 TRP HD1 3.300 . 4.800 3.081 3.081 3.081 . 0 0 "[ ]" 4
67 1 56 LYS QB 1 56 LYS QE 3.800 . 5.300 3.534 3.534 3.534 . 0 0 "[ ]" 4
68 1 56 LYS QE 1 60 LEU MD1 3.800 . 5.300 1.860 1.860 1.860 . 0 0 "[ ]" 4
69 1 52 LEU MD2 1 56 LYS QE 3.300 . 4.800 2.053 2.053 2.053 . 0 0 "[ ]" 4
70 1 56 LYS QE 1 60 LEU MD2 3.300 . 4.800 2.308 2.308 2.308 . 0 0 "[ ]" 4
71 1 58 GLN HA 1 61 LYS QB 3.800 . 5.300 2.912 2.912 2.912 . 0 0 "[ ]" 4
72 1 55 TRP HA 1 58 GLN QG 3.800 . 5.300 2.929 2.929 2.929 . 0 0 "[ ]" 4
73 1 54 LEU QD 1 58 GLN QG 3.300 . 4.800 4.812 4.812 4.812 0.012 1 0 "[ ]" 4
74 1 60 LEU HA 1 60 LEU MD1 3.300 . 4.800 3.795 3.795 3.795 . 0 0 "[ ]" 4
75 1 61 LYS HA 1 61 LYS QG 3.300 . 4.800 2.395 2.395 2.395 . 0 0 "[ ]" 4
76 1 61 LYS QE 1 61 LYS QG 3.300 . 4.800 2.049 2.049 2.049 . 0 0 "[ ]" 4
77 1 61 LYS HA 1 61 LYS QE 3.800 . 5.300 4.515 4.515 4.515 . 0 0 "[ ]" 4
78 1 59 ASN HA 1 62 LYS QD 3.300 . 4.800 3.770 3.770 3.770 . 0 0 "[ ]" 4
79 1 62 LYS HA 1 62 LYS QD 3.800 . 5.300 3.830 3.830 3.830 . 0 0 "[ ]" 4
80 1 61 LYS QG 1 62 LYS H 3.800 . 5.300 4.000 4.000 4.000 . 0 0 "[ ]" 4
81 1 59 ASN HA 1 62 LYS QB 2.800 . 3.800 2.584 2.584 2.584 . 0 0 "[ ]" 4
82 1 64 LYS QE 1 64 LYS QG 3.300 . 4.800 2.082 2.082 2.082 . 0 0 "[ ]" 4
83 1 64 LYS HA 1 64 LYS QG 3.800 . 5.300 2.136 2.136 2.136 . 0 0 "[ ]" 4
84 1 58 GLN QG 1 67 PHE QE 3.300 . 4.800 4.850 4.850 4.850 0.050 1 0 "[ ]" 4
85 1 53 PRO QG 1 55 TRP HE1 3.800 . 5.300 2.231 2.231 2.231 . 0 0 "[ ]" 4
86 1 18 GLU HA 1 18 GLU QB 2.300 . 3.300 2.197 2.197 2.197 . 0 0 "[ ]" 4
87 1 18 GLU QB 1 18 GLU QG 2.300 . 3.300 2.053 2.053 2.053 . 0 0 "[ ]" 4
88 1 39 LYS QD 1 39 LYS QG 2.300 . 3.300 2.050 2.050 2.050 . 0 0 "[ ]" 4
89 1 52 LEU MD2 1 52 LEU HG 2.300 . 3.300 2.151 2.151 2.151 . 0 0 "[ ]" 4
90 1 48 ALA HA 1 48 ALA MB 2.300 . 3.300 2.154 2.154 2.154 . 0 0 "[ ]" 4
91 1 41 VAL HB 1 41 VAL MG2 2.300 . 3.300 2.144 2.144 2.144 . 0 0 "[ ]" 4
92 1 36 GLU QB 1 36 GLU QG 2.300 . 3.300 2.072 2.072 2.072 . 0 0 "[ ]" 4
93 1 64 LYS QB 1 64 LYS QD 2.800 . 3.800 2.223 2.223 2.223 . 0 0 "[ ]" 4
94 1 40 ALA HA 1 40 ALA MB 2.300 . 3.300 2.150 2.150 2.150 . 0 0 "[ ]" 4
95 1 52 LEU HB2 1 52 LEU MD1 2.800 . 3.800 2.266 2.266 2.266 . 0 0 "[ ]" 4
96 1 11 VAL HB 1 11 VAL MG1 2.300 . 3.300 2.149 2.149 2.149 . 0 0 "[ ]" 4
97 1 10 ASP HA 1 10 ASP QB 2.300 . 3.300 2.395 2.395 2.395 . 0 0 "[ ]" 4
98 1 52 LEU MD1 1 52 LEU MD2 2.300 . 3.300 2.071 2.071 2.071 . 0 0 "[ ]" 4
99 1 16 ALA HA 1 16 ALA MB 2.300 . 3.300 2.134 2.134 2.134 . 0 0 "[ ]" 4
100 1 50 ALA HA 1 50 ALA MB 2.300 . 3.300 2.149 2.149 2.149 . 0 0 "[ ]" 4
101 1 13 VAL HB 1 13 VAL MG1 2.300 . 3.300 2.112 2.112 2.112 . 0 0 "[ ]" 4
102 1 13 VAL HA 1 13 VAL MG1 2.300 . 3.300 2.297 2.297 2.297 . 0 0 "[ ]" 4
103 1 41 VAL MG1 1 41 VAL MG2 2.300 . 3.300 2.041 2.041 2.041 . 0 0 "[ ]" 4
104 1 13 VAL HB 1 13 VAL MG2 2.300 . 3.300 2.120 2.120 2.120 . 0 0 "[ ]" 4
105 1 17 ALA HA 1 17 ALA MB 2.300 . 3.300 2.150 2.150 2.150 . 0 0 "[ ]" 4
106 1 17 ALA HA 1 20 LEU MD1 2.800 . 3.800 1.769 1.769 1.769 0.031 1 0 "[ ]" 4
107 1 62 LYS QB 1 62 LYS QG 2.300 . 3.300 2.072 2.072 2.072 . 0 0 "[ ]" 4
108 1 41 VAL HA 1 41 VAL MG2 2.300 . 3.300 2.145 2.145 2.145 . 0 0 "[ ]" 4
109 1 5 GLU QB 1 5 GLU QG 2.300 . 3.300 2.052 2.052 2.052 . 0 0 "[ ]" 4
110 1 22 ARG HA 1 22 ARG QB 2.300 . 3.300 2.501 2.501 2.501 . 0 0 "[ ]" 4
111 1 20 LEU HA 1 20 LEU MD2 2.300 . 3.300 2.704 2.704 2.704 . 0 0 "[ ]" 4
112 1 20 LEU MD2 1 20 LEU HG 2.300 . 3.300 2.123 2.123 2.123 . 0 0 "[ ]" 4
113 1 9 LEU HA 1 9 LEU QD 2.300 . 3.300 3.379 3.379 3.379 0.079 1 0 "[ ]" 4
114 1 66 LEU HA 1 66 LEU QD 2.300 . 3.300 2.333 2.333 2.333 . 0 0 "[ ]" 4
115 1 7 PHE HA 1 8 PRO QD 2.800 . 3.800 2.043 2.043 2.043 . 0 0 "[ ]" 4
116 1 18 GLU HA 1 18 GLU QG 2.800 . 3.800 3.352 3.352 3.352 . 0 0 "[ ]" 4
117 1 11 VAL HB 1 11 VAL MG2 2.300 . 3.300 2.134 2.134 2.134 . 0 0 "[ ]" 4
118 1 20 LEU MD1 1 20 LEU HG 2.300 . 3.300 2.104 2.104 2.104 . 0 0 "[ ]" 4
119 1 11 VAL MG1 1 11 VAL MG2 2.300 . 3.300 2.073 2.073 2.073 . 0 0 "[ ]" 4
120 1 41 VAL HB 1 41 VAL MG1 2.300 . 3.300 2.139 2.139 2.139 . 0 0 "[ ]" 4
121 1 13 VAL HA 1 13 VAL MG2 2.300 . 3.300 2.272 2.272 2.272 . 0 0 "[ ]" 4
122 1 54 LEU HA 1 54 LEU QD 2.800 . 3.800 3.387 3.387 3.387 . 0 0 "[ ]" 4
123 1 12 LEU MD1 1 12 LEU MD2 2.300 . 3.300 2.026 2.026 2.026 . 0 0 "[ ]" 4
124 1 52 LEU MD2 1 53 PRO QD 3.300 . 4.800 1.826 1.826 1.826 . 0 0 "[ ]" 4
125 1 52 LEU MD1 1 53 PRO QD 3.800 . 5.300 3.383 3.383 3.383 . 0 0 "[ ]" 4
126 1 29 LYS HA 1 29 LYS QD 2.800 . 3.800 3.297 3.297 3.297 . 0 0 "[ ]" 4
127 1 33 LEU HB3 1 33 LEU MD1 2.300 . 3.300 3.109 3.109 3.109 . 0 0 "[ ]" 4
128 1 47 SER HA 1 47 SER QB 2.300 . 3.300 2.437 2.437 2.437 . 0 0 "[ ]" 4
129 1 16 ALA MB 1 18 GLU QG 2.800 . 3.800 2.476 2.476 2.476 . 0 0 "[ ]" 4
130 1 20 LEU HB2 1 20 LEU MD2 2.800 . 3.800 3.060 3.060 3.060 . 0 0 "[ ]" 4
131 1 7 PHE HB3 1 7 PHE QD 2.300 . 3.300 2.305 2.305 2.305 . 0 0 "[ ]" 4
132 1 7 PHE HB2 1 7 PHE QD 2.300 . 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 4
133 1 11 VAL HA 1 11 VAL MG1 2.800 . 3.800 2.336 2.336 2.336 . 0 0 "[ ]" 4
134 1 10 ASP QB 1 11 VAL HA 3.800 . 5.300 3.936 3.936 3.936 . 0 0 "[ ]" 4
135 1 62 LYS QB 1 67 PHE HB2 3.300 . 4.800 2.592 2.592 2.592 . 0 0 "[ ]" 4
136 1 15 THR HB 1 15 THR MG 2.300 . 3.300 2.134 2.134 2.134 . 0 0 "[ ]" 4
137 1 42 PHE HB3 1 42 PHE QD 2.300 . 3.300 2.329 2.329 2.329 . 0 0 "[ ]" 4
138 1 42 PHE HB2 1 42 PHE QD 2.300 . 3.300 2.533 2.533 2.533 . 0 0 "[ ]" 4
139 1 36 GLU HA 1 36 GLU QB 2.300 . 3.300 2.429 2.429 2.429 . 0 0 "[ ]" 4
140 1 11 VAL HA 1 11 VAL MG2 2.800 . 3.800 2.447 2.447 2.447 . 0 0 "[ ]" 4
141 1 60 LEU HB3 1 60 LEU MD1 2.800 . 3.800 2.421 2.421 2.421 . 0 0 "[ ]" 4
142 1 60 LEU HB2 1 60 LEU MD1 2.800 . 3.800 2.311 2.311 2.311 . 0 0 "[ ]" 4
143 1 45 THR HA 1 45 THR MG 2.300 . 3.300 1.939 1.939 1.939 . 0 0 "[ ]" 4
144 1 57 GLN HA 1 57 GLN QG 3.300 . 4.800 2.240 2.240 2.240 . 0 0 "[ ]" 4
145 1 33 LEU MD1 1 33 LEU HG 2.300 . 3.300 2.149 2.149 2.149 . 0 0 "[ ]" 4
146 1 52 LEU MD2 1 60 LEU HB2 3.300 . 4.800 4.841 4.841 4.841 0.041 1 0 "[ ]" 4
147 1 5 GLU QB 1 7 PHE QE 2.800 . 3.800 2.378 2.378 2.378 . 0 0 "[ ]" 4
148 1 3 LYS H 1 3 LYS QB 2.800 . 3.800 3.078 3.078 3.078 . 0 0 "[ ]" 4
149 1 52 LEU MD1 1 52 LEU HG 2.300 . 3.300 2.148 2.148 2.148 . 0 0 "[ ]" 4
150 1 38 PHE QE 1 45 THR HA 3.800 . 5.300 3.381 3.381 3.381 . 0 0 "[ ]" 4
151 1 30 GLU QB 1 38 PHE QE 2.800 . 3.800 2.056 2.056 2.056 . 0 0 "[ ]" 4
152 1 30 GLU HA 1 38 PHE QE 3.300 . 4.800 4.328 4.328 4.328 . 0 0 "[ ]" 4
153 1 38 PHE QE 1 46 ARG QG 3.300 . 4.800 4.115 4.115 4.115 . 0 0 "[ ]" 4
154 1 38 PHE QE 1 49 PHE HA 3.800 . 5.300 5.020 5.020 5.020 . 0 0 "[ ]" 4
155 1 24 VAL MG1 1 24 VAL MG2 2.800 . 3.800 1.983 1.983 1.983 . 0 0 "[ ]" 4
156 1 38 PHE HB3 1 38 PHE QD 2.800 . 3.800 2.317 2.317 2.317 . 0 0 "[ ]" 4
157 1 33 LEU HB2 1 38 PHE QD 3.300 . 4.800 3.525 3.525 3.525 . 0 0 "[ ]" 4
158 1 33 LEU HB3 1 38 PHE QD 3.300 . 4.800 4.195 4.195 4.195 . 0 0 "[ ]" 4
159 1 37 ASP HA 1 40 ALA MB 2.800 . 3.800 2.705 2.705 2.705 . 0 0 "[ ]" 4
160 1 33 LEU MD2 1 37 ASP HA 3.800 . 5.300 2.830 2.830 2.830 . 0 0 "[ ]" 4
161 1 45 THR HB 1 45 THR MG 2.300 . 3.300 2.108 2.108 2.108 . 0 0 "[ ]" 4
162 1 20 LEU HA 1 21 PRO QD 2.800 . 3.800 1.927 1.927 1.927 . 0 0 "[ ]" 4
163 1 20 LEU HG 1 21 PRO QD 3.800 . 5.300 4.008 4.008 4.008 . 0 0 "[ ]" 4
164 1 20 LEU HG 1 24 VAL MG2 3.800 . 5.300 5.219 5.219 5.219 . 0 0 "[ ]" 4
165 1 20 LEU HG 1 24 VAL MG1 3.300 . 4.800 3.652 3.652 3.652 . 0 0 "[ ]" 4
166 1 20 LEU HA 1 24 VAL MG2 3.800 . 5.300 4.001 4.001 4.001 . 0 0 "[ ]" 4
167 1 39 LYS HA 1 39 LYS QD 3.500 . 5.500 2.314 2.314 2.314 . 0 0 "[ ]" 4
168 1 60 LEU HB2 1 60 LEU MD2 2.800 . 3.800 3.179 3.179 3.179 . 0 0 "[ ]" 4
169 1 30 GLU HA 1 66 LEU QD 3.800 . 5.300 3.089 3.089 3.089 . 0 0 "[ ]" 4
170 1 30 GLU HA 1 33 LEU MD1 3.300 . 4.800 1.790 1.790 1.790 0.010 1 0 "[ ]" 4
171 1 30 GLU HA 1 33 LEU MD2 3.800 . 5.300 3.548 3.548 3.548 . 0 0 "[ ]" 4
172 1 41 VAL MG1 1 66 LEU QD 2.800 . 3.800 2.779 2.779 2.779 . 0 0 "[ ]" 4
173 1 20 LEU MD1 1 24 VAL MG1 2.800 . 3.800 2.408 2.408 2.408 . 0 0 "[ ]" 4
174 1 46 ARG HB2 1 46 ARG QD 3.300 . 4.800 2.908 2.908 2.908 . 0 0 "[ ]" 4
175 1 46 ARG HB3 1 46 ARG QD 3.300 . 4.800 1.988 1.988 1.988 . 0 0 "[ ]" 4
176 1 62 LYS QB 1 67 PHE HB3 3.300 . 4.800 2.903 2.903 2.903 . 0 0 "[ ]" 4
177 1 62 LYS QD 1 67 PHE HB3 3.300 . 4.800 4.794 4.794 4.794 . 0 0 "[ ]" 4
178 1 62 LYS QG 1 67 PHE HB3 3.800 . 5.300 3.190 3.190 3.190 . 0 0 "[ ]" 4
179 1 33 LEU MD2 1 33 LEU HG 2.300 . 3.300 2.138 2.138 2.138 . 0 0 "[ ]" 4
180 1 67 PHE HA 1 67 PHE QD 2.800 . 3.800 2.219 2.219 2.219 . 0 0 "[ ]" 4
181 1 58 GLN HA 1 67 PHE QD 3.800 . 5.300 2.103 2.103 2.103 . 0 0 "[ ]" 4
182 1 20 LEU MD2 1 21 PRO QD 2.800 . 3.800 2.759 2.759 2.759 . 0 0 "[ ]" 4
183 1 15 THR MG 1 19 ASP QB 2.800 . 3.800 3.375 3.375 3.375 . 0 0 "[ ]" 4
184 1 12 LEU HB3 1 20 LEU MD2 2.800 . 3.800 2.037 2.037 2.037 . 0 0 "[ ]" 4
185 1 4 LEU HA 1 4 LEU MD2 3.300 . 4.800 3.782 3.782 3.782 . 0 0 "[ ]" 4
186 1 6 THR MG 1 34 SER QB 3.300 . 4.800 3.978 3.978 3.978 . 0 0 "[ ]" 4
187 1 33 LEU MD1 1 38 PHE HA 2.800 . 3.800 3.852 3.852 3.852 0.052 1 0 "[ ]" 4
188 1 7 PHE HA 1 7 PHE QD 2.800 . 3.800 3.300 3.300 3.300 . 0 0 "[ ]" 4
189 1 7 PHE HA 1 7 PHE QE 3.800 . 5.300 5.030 5.030 5.030 . 0 0 "[ ]" 4
190 1 56 LYS HA 1 59 ASN QB 2.800 . 3.800 2.326 2.326 2.326 . 0 0 "[ ]" 4
191 1 9 LEU HA 1 33 LEU MD2 2.800 . 3.800 3.390 3.390 3.390 . 0 0 "[ ]" 4
192 1 49 PHE HB3 1 49 PHE QD 2.300 . 3.300 2.342 2.342 2.342 . 0 0 "[ ]" 4
193 1 49 PHE HB2 1 49 PHE QD 2.300 . 3.300 2.503 2.503 2.503 . 0 0 "[ ]" 4
194 1 49 PHE QE 1 60 LEU MD1 2.800 . 3.800 2.341 2.341 2.341 . 0 0 "[ ]" 4
195 1 12 LEU HB2 1 12 LEU MD2 2.800 . 3.800 2.131 2.131 2.131 . 0 0 "[ ]" 4
196 1 12 LEU HB3 1 13 VAL HA 2.800 . 3.800 3.943 3.943 3.943 0.143 1 0 "[ ]" 4
197 1 52 LEU HB3 1 53 PRO QD 3.300 . 4.300 1.870 1.870 1.870 . 0 0 "[ ]" 4
198 1 56 LYS QG 1 57 GLN HA 2.800 . 3.800 3.440 3.440 3.440 . 0 0 "[ ]" 4
199 1 41 VAL MG1 1 64 LYS QG 3.300 . 4.800 1.939 1.939 1.939 . 0 0 "[ ]" 4
200 1 22 ARG QB 1 22 ARG QD 2.800 . 3.800 2.129 2.129 2.129 . 0 0 "[ ]" 4
201 1 41 VAL HA 1 41 VAL MG1 2.800 . 3.800 2.520 2.520 2.520 . 0 0 "[ ]" 4
202 1 7 PHE QD 1 11 VAL MG1 2.800 . 3.800 2.842 2.842 2.842 . 0 0 "[ ]" 4
203 1 24 VAL HA 1 24 VAL MG1 2.800 . 3.800 2.276 2.276 2.276 . 0 0 "[ ]" 4
204 1 38 PHE QE 1 42 PHE HB3 3.800 . 5.300 3.907 3.907 3.907 . 0 0 "[ ]" 4
205 1 15 THR HA 1 15 THR MG 2.800 . 3.800 2.231 2.231 2.231 . 0 0 "[ ]" 4
206 1 10 ASP HA 1 13 VAL MG2 3.300 . 4.800 4.891 4.891 4.891 0.091 1 0 "[ ]" 4
207 1 42 PHE HA 1 42 PHE QD 2.800 . 3.800 3.031 3.031 3.031 . 0 0 "[ ]" 4
208 1 8 PRO QD 1 11 VAL MG2 2.800 . 3.800 1.815 1.815 1.815 . 0 0 "[ ]" 4
209 1 7 PHE HB3 1 11 VAL MG2 3.300 . 4.800 2.530 2.530 2.530 . 0 0 "[ ]" 4
210 1 57 GLN HA 1 60 LEU MD1 3.300 . 4.800 2.054 2.054 2.054 . 0 0 "[ ]" 4
211 1 57 GLN HA 1 60 LEU HB2 3.800 . 5.300 2.614 2.614 2.614 . 0 0 "[ ]" 4
212 1 33 LEU HB2 1 33 LEU MD1 2.800 . 3.800 2.166 2.166 2.166 . 0 0 "[ ]" 4
213 1 7 PHE QD 1 32 HIS HB3 2.800 . 3.800 2.481 2.481 2.481 . 0 0 "[ ]" 4
214 1 7 PHE QD 1 32 HIS HB2 3.300 . 4.800 4.018 4.018 4.018 . 0 0 "[ ]" 4
215 1 24 VAL MG1 1 32 HIS HB2 3.800 . 5.300 2.942 2.942 2.942 . 0 0 "[ ]" 4
216 1 5 GLU QB 1 7 PHE QD 2.800 . 3.800 3.715 3.715 3.715 . 0 0 "[ ]" 4
217 1 67 PHE HB3 1 67 PHE QD 2.800 . 3.800 2.395 2.395 2.395 . 0 0 "[ ]" 4
218 1 67 PHE HB2 1 67 PHE QD 2.300 . 3.300 2.788 2.788 2.788 . 0 0 "[ ]" 4
219 1 66 LEU QB 1 67 PHE QD 3.300 . 4.800 2.491 2.491 2.491 . 0 0 "[ ]" 4
220 1 65 GLY H 1 66 LEU QB 3.800 . 5.300 4.260 4.260 4.260 . 0 0 "[ ]" 4
221 1 65 GLY H 1 66 LEU QD 3.800 . 5.300 2.791 2.791 2.791 . 0 0 "[ ]" 4
222 1 58 GLN HB3 1 67 PHE QD 3.300 . 4.800 3.229 3.229 3.229 . 0 0 "[ ]" 4
223 1 66 LEU HG 1 67 PHE QD 3.300 . 4.800 4.865 4.865 4.865 0.065 1 0 "[ ]" 4
224 1 57 GLN QG 1 67 PHE QD 3.300 . 4.800 4.877 4.877 4.877 0.077 1 0 "[ ]" 4
225 1 62 LYS QG 1 67 PHE QD 3.300 . 4.800 4.801 4.801 4.801 0.001 1 0 "[ ]" 4
226 1 58 GLN QG 1 67 PHE QD 3.800 . 5.300 3.638 3.638 3.638 . 0 0 "[ ]" 4
227 1 49 PHE HA 1 49 PHE QD 2.800 . 3.800 2.557 2.557 2.557 . 0 0 "[ ]" 4
228 1 33 LEU HB3 1 33 LEU MD2 2.800 . 3.800 2.192 2.192 2.192 . 0 0 "[ ]" 4
229 1 49 PHE QE 1 57 GLN HA 2.800 . 3.800 3.378 3.378 3.378 . 0 0 "[ ]" 4
230 1 21 PRO QD 1 24 VAL HB 3.800 . 5.300 2.893 2.893 2.893 . 0 0 "[ ]" 4
231 1 7 PHE QD 1 21 PRO HB3 3.300 . 4.800 3.541 3.541 3.541 . 0 0 "[ ]" 4
232 1 7 PHE QD 1 21 PRO HB2 3.300 . 4.800 3.669 3.669 3.669 . 0 0 "[ ]" 4
233 1 64 LYS HA 1 64 LYS QD 2.800 . 3.800 2.608 2.608 2.608 . 0 0 "[ ]" 4
234 1 63 GLU HA 1 63 GLU QG 3.300 . 4.800 2.123 2.123 2.123 . 0 0 "[ ]" 4
235 1 53 PRO HB2 1 53 PRO QD 3.300 . 4.800 3.561 3.561 3.561 . 0 0 "[ ]" 4
236 1 44 MET HA 1 44 MET QG 3.300 . 4.800 3.310 3.310 3.310 . 0 0 "[ ]" 4
237 1 44 MET HA 1 44 MET ME 2.800 . 3.800 3.889 3.889 3.889 0.089 1 0 "[ ]" 4
238 1 12 LEU HB3 1 12 LEU MD1 2.800 . 3.800 3.211 3.211 3.211 . 0 0 "[ ]" 4
239 1 20 LEU HA 1 20 LEU MD1 3.300 . 4.800 3.883 3.883 3.883 . 0 0 "[ ]" 4
240 1 24 VAL HA 1 24 VAL MG2 2.800 . 3.800 2.286 2.286 2.286 . 0 0 "[ ]" 4
241 1 7 PHE QD 1 11 VAL MG2 2.800 . 3.800 3.159 3.159 3.159 . 0 0 "[ ]" 4
242 1 44 MET ME 1 44 MET QG 2.800 . 3.800 2.501 2.501 2.501 . 0 0 "[ ]" 4
243 1 20 LEU HB3 1 21 PRO QD 3.300 . 4.800 1.985 1.985 1.985 . 0 0 "[ ]" 4
244 1 33 LEU HA 1 33 LEU MD2 2.800 . 3.800 3.493 3.493 3.493 . 0 0 "[ ]" 4
245 1 38 PHE HA 1 38 PHE QD 2.800 . 3.800 1.977 1.977 1.977 . 0 0 "[ ]" 4
246 1 49 PHE QD 1 60 LEU MD1 2.800 . 3.800 3.035 3.035 3.035 . 0 0 "[ ]" 4
247 1 7 PHE QE 1 21 PRO HB3 3.800 . 5.300 3.400 3.400 3.400 . 0 0 "[ ]" 4
248 1 7 PHE QE 1 21 PRO HB2 3.800 . 5.300 2.577 2.577 2.577 . 0 0 "[ ]" 4
249 1 12 LEU MD2 1 32 HIS HB3 3.300 . 4.800 2.444 2.444 2.444 . 0 0 "[ ]" 4
250 1 12 LEU MD1 1 32 HIS HB3 3.800 . 5.300 3.433 3.433 3.433 . 0 0 "[ ]" 4
251 1 12 LEU MD2 1 32 HIS HB2 3.300 . 4.800 1.794 1.794 1.794 0.006 1 0 "[ ]" 4
252 1 38 PHE QD 1 39 LYS H 3.300 . 4.800 4.377 4.377 4.377 . 0 0 "[ ]" 4
253 1 33 LEU HB2 1 33 LEU MD2 3.300 . 4.800 2.620 2.620 2.620 . 0 0 "[ ]" 4
254 1 33 LEU MD1 1 38 PHE QD 2.800 . 3.800 3.814 3.814 3.814 0.014 1 0 "[ ]" 4
255 1 42 PHE QE 1 61 LYS HA 2.800 . 3.800 3.173 3.173 3.173 . 0 0 "[ ]" 4
256 1 60 LEU HA 1 60 LEU MD2 2.800 . 3.800 1.952 1.952 1.952 . 0 0 "[ ]" 4
257 1 7 PHE QD 1 8 PRO QD 2.800 . 3.800 3.393 3.393 3.393 . 0 0 "[ ]" 4
258 1 58 GLN HA 1 58 GLN QG 3.300 . 4.800 3.254 3.254 3.254 . 0 0 "[ ]" 4
259 1 38 PHE QE 1 46 ARG HA 2.800 . 3.800 1.800 1.800 1.800 0.000 1 0 "[ ]" 4
260 1 7 PHE QD 1 24 VAL MG2 2.300 . 3.300 3.093 3.093 3.093 . 0 0 "[ ]" 4
261 1 46 ARG HA 1 46 ARG QD 3.300 . 4.800 4.158 4.158 4.158 . 0 0 "[ ]" 4
262 1 12 LEU HA 1 20 LEU MD2 3.300 . 4.800 1.902 1.902 1.902 . 0 0 "[ ]" 4
263 1 7 PHE QD 1 12 LEU MD2 2.800 . 3.800 3.124 3.124 3.124 . 0 0 "[ ]" 4
264 1 52 LEU MD1 1 60 LEU HB2 2.800 . 3.800 3.668 3.668 3.668 . 0 0 "[ ]" 4
265 1 41 VAL MG1 1 42 PHE QD 2.800 . 3.800 2.121 2.121 2.121 . 0 0 "[ ]" 4
266 1 7 PHE QE 1 11 VAL MG1 2.800 . 3.800 3.933 3.933 3.933 0.133 1 0 "[ ]" 4
267 1 56 LYS HA 1 56 LYS QD 3.300 . 4.800 3.762 3.762 3.762 . 0 0 "[ ]" 4
268 1 7 PHE QD 1 12 LEU MD1 2.800 . 3.800 2.753 2.753 2.753 . 0 0 "[ ]" 4
269 1 12 LEU HA 1 12 LEU MD2 2.800 . 3.800 3.803 3.803 3.803 0.003 1 0 "[ ]" 4
270 1 12 LEU HA 1 12 LEU MD1 2.800 . 3.800 2.362 2.362 2.362 . 0 0 "[ ]" 4
271 1 53 PRO HB3 1 53 PRO QD 3.300 . 4.800 3.168 3.168 3.168 . 0 0 "[ ]" 4
272 1 41 VAL HB 1 42 PHE QE 2.800 . 3.800 3.839 3.839 3.839 0.039 1 0 "[ ]" 4
273 1 41 VAL MG2 1 42 PHE QE 3.800 . 5.300 4.409 4.409 4.409 . 0 0 "[ ]" 4
274 1 38 PHE HA 1 42 PHE QE 3.300 . 4.800 4.374 4.374 4.374 . 0 0 "[ ]" 4
275 1 30 GLU HA 1 42 PHE QE 3.300 . 4.800 2.987 2.987 2.987 . 0 0 "[ ]" 4
276 1 42 PHE HA 1 42 PHE QE 3.800 . 5.300 4.487 4.487 4.487 . 0 0 "[ ]" 4
277 1 62 LYS HA 1 62 LYS QG 3.300 . 4.800 2.136 2.136 2.136 . 0 0 "[ ]" 4
278 1 56 LYS HA 1 56 LYS QG 3.300 . 4.800 2.474 2.474 2.474 . 0 0 "[ ]" 4
279 1 46 ARG HA 1 46 ARG QG 2.800 . 3.800 3.335 3.335 3.335 . 0 0 "[ ]" 4
280 1 5 GLU HA 1 5 GLU QG 3.300 . 4.800 2.303 2.303 2.303 . 0 0 "[ ]" 4
281 1 41 VAL MG1 1 42 PHE QE 2.800 . 3.800 2.528 2.528 2.528 . 0 0 "[ ]" 4
282 1 41 VAL MG1 1 64 LYS QB 2.800 . 3.800 1.968 1.968 1.968 . 0 0 "[ ]" 4
283 1 55 TRP HE3 1 59 ASN QB 3.300 . 4.800 3.916 3.916 3.916 . 0 0 "[ ]" 4
284 1 33 LEU MD2 1 37 ASP HB3 3.300 . 4.800 1.835 1.835 1.835 . 0 0 "[ ]" 4
285 1 38 PHE QE 1 49 PHE HB3 2.800 . 3.800 3.505 3.505 3.505 . 0 0 "[ ]" 4
286 1 38 PHE QE 1 44 MET QG 3.300 . 4.800 3.719 3.719 3.719 . 0 0 "[ ]" 4
287 1 7 PHE QE 1 12 LEU MD2 3.300 . 4.800 4.826 4.826 4.826 0.026 1 0 "[ ]" 4
288 1 53 PRO QD 1 56 LYS QB 3.300 . 4.800 2.143 2.143 2.143 . 0 0 "[ ]" 4
289 1 53 PRO QD 1 56 LYS QG 3.300 . 4.800 3.199 3.199 3.199 . 0 0 "[ ]" 4
290 1 52 LEU MD1 1 56 LYS QG 3.300 . 4.800 3.024 3.024 3.024 . 0 0 "[ ]" 4
291 1 12 LEU HB3 1 12 LEU MD2 2.800 . 3.800 2.495 2.495 2.495 . 0 0 "[ ]" 4
292 1 12 LEU MD2 1 13 VAL HB 3.800 . 5.300 5.419 5.419 5.419 0.119 1 0 "[ ]" 4
293 1 9 LEU QD 1 13 VAL HB 2.800 . 3.800 2.909 2.909 2.909 . 0 0 "[ ]" 4
294 1 49 PHE QD 1 50 ALA HA 3.300 . 4.800 4.102 4.102 4.102 . 0 0 "[ ]" 4
295 1 21 PRO HB3 1 24 VAL MG2 3.300 . 4.800 4.126 4.126 4.126 . 0 0 "[ ]" 4
296 1 21 PRO HB2 1 24 VAL MG2 2.800 . 3.800 3.249 3.249 3.249 . 0 0 "[ ]" 4
297 1 12 LEU MD2 1 24 VAL MG2 2.800 . 3.800 3.507 3.507 3.507 . 0 0 "[ ]" 4
298 1 21 PRO QD 1 24 VAL MG2 3.300 . 4.800 1.796 1.796 1.796 0.004 1 0 "[ ]" 4
299 1 66 LEU HA 1 66 LEU HG 3.300 . 4.800 3.368 3.368 3.368 . 0 0 "[ ]" 4
300 1 42 PHE HB3 1 42 PHE QE 3.300 . 4.800 4.422 4.422 4.422 . 0 0 "[ ]" 4
301 1 42 PHE QD 1 60 LEU MD2 3.300 . 4.800 2.792 2.792 2.792 . 0 0 "[ ]" 4
302 1 38 PHE HZ 1 49 PHE QD 3.300 . 4.800 2.620 2.620 2.620 . 0 0 "[ ]" 4
303 1 67 PHE HA 1 67 PHE QE 3.300 . 4.800 4.174 4.174 4.174 . 0 0 "[ ]" 4
304 1 58 GLN QG 1 59 ASN H 3.800 . 5.300 1.928 1.928 1.928 . 0 0 "[ ]" 4
305 1 7 PHE HA 1 8 PRO QG 3.800 . 5.300 4.032 4.032 4.032 . 0 0 "[ ]" 4
306 1 7 PHE HA 1 11 VAL MG2 3.300 . 4.800 4.042 4.042 4.042 . 0 0 "[ ]" 4
307 1 16 ALA MB 1 19 ASP H 2.800 . 3.800 3.812 3.812 3.812 0.012 1 0 "[ ]" 4
308 1 41 VAL MG1 1 42 PHE HA 3.300 . 4.800 3.225 3.225 3.225 . 0 0 "[ ]" 4
309 1 29 LYS HA 1 29 LYS QE 3.800 . 5.300 4.797 4.797 4.797 . 0 0 "[ ]" 4
310 1 29 LYS QE 1 67 PHE HA 3.800 . 5.300 5.313 5.313 5.313 0.013 1 0 "[ ]" 4
311 1 55 TRP HZ3 1 59 ASN QD 3.800 . 5.300 4.948 4.948 4.948 . 0 0 "[ ]" 4
312 1 16 ALA MB 1 18 GLU H 2.800 . 3.800 2.480 2.480 2.480 . 0 0 "[ ]" 4
313 1 38 PHE HA 1 42 PHE QD 3.300 . 4.800 2.993 2.993 2.993 . 0 0 "[ ]" 4
314 1 42 PHE QD 1 61 LYS HA 3.800 . 5.300 4.810 4.810 4.810 . 0 0 "[ ]" 4
315 1 42 PHE QD 1 60 LEU HA 3.800 . 5.300 4.387 4.387 4.387 . 0 0 "[ ]" 4
316 1 7 PHE HB3 1 12 LEU MD2 3.300 . 4.800 4.422 4.422 4.422 . 0 0 "[ ]" 4
317 1 7 PHE HB2 1 12 LEU MD2 3.300 . 4.800 2.890 2.890 2.890 . 0 0 "[ ]" 4
318 1 38 PHE QE 1 42 PHE QD 3.300 . 4.800 3.158 3.158 3.158 . 0 0 "[ ]" 4
319 1 33 LEU MD2 1 37 ASP HB2 3.300 . 4.800 3.299 3.299 3.299 . 0 0 "[ ]" 4
320 1 20 LEU HB3 1 24 VAL MG2 3.300 . 4.800 2.761 2.761 2.761 . 0 0 "[ ]" 4
321 1 49 PHE QE 1 60 LEU MD2 3.300 . 4.800 4.009 4.009 4.009 . 0 0 "[ ]" 4
322 1 41 VAL HB 1 42 PHE QD 3.300 . 4.800 2.509 2.509 2.509 . 0 0 "[ ]" 4
323 1 52 LEU MD1 1 60 LEU MD2 3.300 . 4.800 3.856 3.856 3.856 . 0 0 "[ ]" 4
324 1 11 VAL MG2 1 12 LEU MD2 3.300 . 4.800 4.901 4.901 4.901 0.101 1 0 "[ ]" 4
325 1 12 LEU MD2 1 24 VAL MG1 2.800 . 3.800 2.917 2.917 2.917 . 0 0 "[ ]" 4
326 1 41 VAL MG2 1 42 PHE QD 3.300 . 4.800 4.050 4.050 4.050 . 0 0 "[ ]" 4
327 1 42 PHE HZ 1 61 LYS QG 3.300 . 4.800 2.125 2.125 2.125 . 0 0 "[ ]" 4
328 1 42 PHE HZ 1 66 LEU QB 3.300 . 4.800 3.882 3.882 3.882 . 0 0 "[ ]" 4
329 1 30 GLU QB 1 42 PHE HZ 3.300 . 4.800 2.341 2.341 2.341 . 0 0 "[ ]" 4
330 1 6 THR MG 1 34 SER H 3.300 . 4.800 4.531 4.531 4.531 . 0 0 "[ ]" 4
331 1 41 VAL MG1 1 64 LYS QD 3.300 . 4.800 3.475 3.475 3.475 . 0 0 "[ ]" 4
332 1 12 LEU HB3 1 20 LEU MD1 3.300 . 4.800 4.492 4.492 4.492 . 0 0 "[ ]" 4
333 1 38 PHE QE 1 49 PHE QD 3.300 . 4.800 3.568 3.568 3.568 . 0 0 "[ ]" 4
334 1 41 VAL MG1 1 42 PHE HZ 3.300 . 4.800 4.094 4.094 4.094 . 0 0 "[ ]" 4
335 1 55 TRP HE3 1 59 ASN QD 3.300 . 4.800 3.513 3.513 3.513 . 0 0 "[ ]" 4
336 1 42 PHE QD 1 60 LEU MD1 3.300 . 4.800 2.458 2.458 2.458 . 0 0 "[ ]" 4
337 1 42 PHE QD 1 60 LEU HG 3.300 . 4.800 4.516 4.516 4.516 . 0 0 "[ ]" 4
338 1 38 PHE HA 1 41 VAL MG1 3.300 . 4.800 4.271 4.271 4.271 . 0 0 "[ ]" 4
339 1 11 VAL MG1 1 24 VAL MG2 3.300 . 4.800 4.137 4.137 4.137 . 0 0 "[ ]" 4
340 1 49 PHE QE 1 61 LYS QG 3.800 . 5.300 3.475 3.475 3.475 . 0 0 "[ ]" 4
341 1 49 PHE HZ 1 61 LYS QG 3.300 . 4.800 2.651 2.651 2.651 . 0 0 "[ ]" 4
342 1 49 PHE QD 1 60 LEU MD2 3.300 . 4.800 4.693 4.693 4.693 . 0 0 "[ ]" 4
343 1 38 PHE QD 1 46 ARG H 3.300 . 4.800 3.116 3.116 3.116 . 0 0 "[ ]" 4
344 1 46 ARG H 1 46 ARG QD 3.800 . 5.300 3.191 3.191 3.191 . 0 0 "[ ]" 4
345 1 20 LEU MD2 1 24 VAL MG2 2.800 . 3.800 3.393 3.393 3.393 . 0 0 "[ ]" 4
346 1 38 PHE QD 1 42 PHE QD 3.300 . 4.800 2.682 2.682 2.682 . 0 0 "[ ]" 4
347 1 12 LEU MD2 1 13 VAL H 3.800 . 5.300 3.642 3.642 3.642 . 0 0 "[ ]" 4
348 1 13 VAL H 1 20 LEU MD2 3.300 . 4.800 3.636 3.636 3.636 . 0 0 "[ ]" 4
349 1 60 LEU MD1 1 61 LYS H 3.800 . 5.300 4.542 4.542 4.542 . 0 0 "[ ]" 4
350 1 60 LEU MD2 1 61 LYS H 3.800 . 5.300 4.679 4.679 4.679 . 0 0 "[ ]" 4
351 1 46 ARG HE 1 46 ARG QG 3.300 . 4.800 2.276 2.276 2.276 . 0 0 "[ ]" 4
352 1 54 LEU H 1 54 LEU QD 3.300 . 4.800 3.191 3.191 3.191 . 0 0 "[ ]" 4
353 1 33 LEU MD1 1 38 PHE H 3.300 . 4.800 4.831 4.831 4.831 0.031 1 0 "[ ]" 4
354 1 35 ASP QB 1 38 PHE H 3.800 . 5.300 5.355 5.355 5.355 0.055 1 0 "[ ]" 4
355 1 49 PHE HZ 1 60 LEU MD1 3.800 . 5.300 4.118 4.118 4.118 . 0 0 "[ ]" 4
356 1 42 PHE QE 1 49 PHE QE 3.300 . 4.800 2.131 2.131 2.131 . 0 0 "[ ]" 4
357 1 42 PHE QD 1 49 PHE QE 3.300 . 4.800 2.066 2.066 2.066 . 0 0 "[ ]" 4
358 1 33 LEU MD2 1 38 PHE H 3.800 . 5.300 3.459 3.459 3.459 . 0 0 "[ ]" 4
359 1 66 LEU HG 1 67 PHE H 3.800 . 5.300 3.310 3.310 3.310 . 0 0 "[ ]" 4
360 1 38 PHE QD 1 42 PHE QE 2.800 . 3.800 3.408 3.408 3.408 . 0 0 "[ ]" 4
361 1 20 LEU MD1 1 24 VAL MG2 3.300 . 4.300 4.380 4.380 4.380 0.080 1 0 "[ ]" 4
362 1 49 PHE QD 1 50 ALA MB 3.300 . 4.800 4.674 4.674 4.674 . 0 0 "[ ]" 4
363 1 54 LEU H 1 54 LEU QB 3.300 . 4.800 3.504 3.504 3.504 . 0 0 "[ ]" 4
364 1 9 LEU H 1 33 LEU MD2 3.800 . 5.300 3.733 3.733 3.733 . 0 0 "[ ]" 4
365 1 9 LEU H 1 10 ASP QB 3.800 . 5.300 4.564 4.564 4.564 . 0 0 "[ ]" 4
366 1 3 LYS QG 1 4 LEU H 3.300 . 4.800 2.559 2.559 2.559 . 0 0 "[ ]" 4
367 1 8 PRO HB3 1 11 VAL MG2 3.800 . 5.300 4.421 4.421 4.421 . 0 0 "[ ]" 4
368 1 8 PRO HB2 1 11 VAL MG2 3.300 . 4.800 3.836 3.836 3.836 . 0 0 "[ ]" 4
369 1 12 LEU MD1 1 24 VAL MG1 3.300 . 4.800 3.119 3.119 3.119 . 0 0 "[ ]" 4
370 1 12 LEU MD1 1 24 VAL MG2 3.800 . 5.300 2.819 2.819 2.819 . 0 0 "[ ]" 4
371 1 7 PHE HB2 1 12 LEU MD1 3.300 . 4.800 1.775 1.775 1.775 0.025 1 0 "[ ]" 4
372 1 7 PHE HB2 1 8 PRO QD 3.800 . 5.300 2.719 2.719 2.719 . 0 0 "[ ]" 4
373 1 7 PHE HB3 1 11 VAL MG1 3.300 . 4.800 3.141 3.141 3.141 . 0 0 "[ ]" 4
374 1 12 LEU MD1 1 32 HIS HB2 2.800 . 3.800 3.800 3.800 3.800 . 0 0 "[ ]" 4
375 1 49 PHE HA 1 52 LEU MD1 2.800 . 3.800 1.848 1.848 1.848 . 0 0 "[ ]" 4
376 1 52 LEU MD2 1 60 LEU MD1 2.800 . 3.800 2.249 2.249 2.249 . 0 0 "[ ]" 4
377 1 33 LEU HA 1 33 LEU MD1 3.800 . 5.300 2.980 2.980 2.980 . 0 0 "[ ]" 4
378 1 28 ARG HB3 1 28 ARG QD 3.300 . 4.800 2.287 2.287 2.287 . 0 0 "[ ]" 4
379 1 52 LEU MD1 1 56 LYS QB 3.800 . 5.300 4.064 4.064 4.064 . 0 0 "[ ]" 4
380 1 52 LEU MD2 1 56 LYS QB 3.800 . 5.300 2.471 2.471 2.471 . 0 0 "[ ]" 4
381 1 52 LEU QB 1 56 LYS QB 3.800 . 5.300 3.619 3.619 3.619 . 0 0 "[ ]" 4
382 1 8 PRO QG 1 11 VAL MG2 3.300 . 4.800 1.839 1.839 1.839 . 0 0 "[ ]" 4
383 1 7 PHE H 1 12 LEU MD2 3.800 . 5.300 3.606 3.606 3.606 . 0 0 "[ ]" 4
384 1 7 PHE H 1 24 VAL MG2 3.800 . 5.300 4.695 4.695 4.695 . 0 0 "[ ]" 4
385 1 12 LEU HA 1 20 LEU HA 2.800 . 3.800 1.986 1.986 1.986 . 0 0 "[ ]" 4
386 1 52 LEU MD1 1 60 LEU MD1 2.800 . 3.800 1.833 1.833 1.833 . 0 0 "[ ]" 4
387 1 42 PHE QD 1 66 LEU QD 3.800 . 5.300 3.891 3.891 3.891 . 0 0 "[ ]" 4
388 1 64 LYS H 1 66 LEU QD 3.800 . 5.300 3.851 3.851 3.851 . 0 0 "[ ]" 4
389 1 41 VAL MG1 1 64 LYS H 3.800 . 5.300 3.551 3.551 3.551 . 0 0 "[ ]" 4
390 1 64 LYS H 1 64 LYS QG 2.800 . 3.800 3.655 3.655 3.655 . 0 0 "[ ]" 4
391 1 7 PHE QE 1 12 LEU MD1 3.300 . 4.800 4.183 4.183 4.183 . 0 0 "[ ]" 4
392 1 58 GLN HB3 1 67 PHE QE 3.300 . 4.800 3.289 3.289 3.289 . 0 0 "[ ]" 4
393 1 30 GLU QB 1 38 PHE QD 3.300 . 4.800 2.184 2.184 2.184 . 0 0 "[ ]" 4
394 1 42 PHE QE 1 61 LYS QG 3.300 . 4.800 1.945 1.945 1.945 . 0 0 "[ ]" 4
395 1 49 PHE QE 1 52 LEU MD1 3.300 . 4.800 2.793 2.793 2.793 . 0 0 "[ ]" 4
396 1 41 VAL MG1 1 42 PHE HB3 3.300 . 4.800 4.682 4.682 4.682 . 0 0 "[ ]" 4
397 1 9 LEU QD 1 41 VAL MG1 3.300 . 4.800 3.538 3.538 3.538 . 0 0 "[ ]" 4
398 1 12 LEU H 1 12 LEU MD2 3.300 . 4.800 3.479 3.479 3.479 . 0 0 "[ ]" 4
399 1 52 LEU HA 1 52 LEU MD1 3.300 . 4.800 3.759 3.759 3.759 . 0 0 "[ ]" 4
400 1 49 PHE QD 1 52 LEU MD1 2.800 . 3.800 2.257 2.257 2.257 . 0 0 "[ ]" 4
401 1 42 PHE QD 1 60 LEU HB2 3.300 . 4.800 3.239 3.239 3.239 . 0 0 "[ ]" 4
402 1 42 PHE QD 1 60 LEU HB3 3.300 . 4.800 1.999 1.999 1.999 . 0 0 "[ ]" 4
403 1 36 GLU HA 1 36 GLU QG 2.800 . 3.800 2.275 2.275 2.275 . 0 0 "[ ]" 4
404 1 42 PHE HZ 1 66 LEU QD 2.800 . 3.800 1.878 1.878 1.878 . 0 0 "[ ]" 4
405 1 17 ALA MB 1 26 PRO QG 3.300 . 4.800 2.131 2.131 2.131 . 0 0 "[ ]" 4
406 1 17 ALA MB 1 20 LEU MD1 3.300 . 4.800 3.030 3.030 3.030 . 0 0 "[ ]" 4
407 1 26 PRO QB 1 26 PRO QD 2.800 . 3.800 2.967 2.967 2.967 . 0 0 "[ ]" 4
408 1 24 VAL MG1 1 26 PRO QB 3.800 . 5.300 5.056 5.056 5.056 . 0 0 "[ ]" 4
409 1 26 PRO HA 1 26 PRO QD 3.300 . 4.800 3.485 3.485 3.485 . 0 0 "[ ]" 4
410 1 24 VAL MG1 1 26 PRO QD 3.300 . 4.800 4.410 4.410 4.410 . 0 0 "[ ]" 4
411 1 20 LEU MD1 1 26 PRO QG 2.800 . 3.800 3.820 3.820 3.820 0.020 1 0 "[ ]" 4
412 1 20 LEU MD1 1 26 PRO QB 3.300 . 4.800 2.737 2.737 2.737 . 0 0 "[ ]" 4
413 1 20 LEU MD1 1 26 PRO QD 3.300 . 4.800 3.370 3.370 3.370 . 0 0 "[ ]" 4
414 1 49 PHE QD 1 60 LEU HB3 3.800 . 5.300 4.639 4.639 4.639 . 0 0 "[ ]" 4
415 1 42 PHE QE 1 66 LEU QD 2.800 . 3.800 2.087 2.087 2.087 . 0 0 "[ ]" 4
416 1 20 LEU HB3 1 20 LEU MD1 2.800 . 3.800 2.792 2.792 2.792 . 0 0 "[ ]" 4
417 1 19 ASP QB 1 20 LEU MD1 2.800 . 3.800 3.862 3.862 3.862 0.062 1 0 "[ ]" 4
418 1 42 PHE QE 1 60 LEU HB3 2.800 . 3.800 2.358 2.358 2.358 . 0 0 "[ ]" 4
419 1 52 LEU HA 1 52 LEU MD2 2.300 . 3.300 1.880 1.880 1.880 . 0 0 "[ ]" 4
420 1 52 LEU HA 1 53 PRO QD 2.800 . 3.800 1.971 1.971 1.971 . 0 0 "[ ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 18
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.089
_Distance_constraint_stats_list.Viol_max 0.057
_Distance_constraint_stats_list.Viol_rms 0.0141
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0296
_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 34 SER 0.000 0.000 . 0 "[ ]"
1 36 GLU 0.057 0.057 1 0 "[ ]"
1 37 ASP 0.000 0.000 . 0 "[ ]"
1 38 PHE 0.015 0.015 1 0 "[ ]"
1 39 LYS 0.074 0.057 1 0 "[ ]"
1 41 VAL 0.000 0.000 . 0 "[ ]"
1 42 PHE 0.015 0.015 1 0 "[ ]"
1 43 GLY 0.017 0.017 1 0 "[ ]"
1 54 LEU 0.000 0.000 . 0 "[ ]"
1 56 LYS 0.000 0.000 . 0 "[ ]"
1 57 GLN 0.000 0.000 . 0 "[ ]"
1 58 GLN 0.000 0.000 . 0 "[ ]"
1 60 LEU 0.000 0.000 . 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 62 LYS 0.000 0.000 . 0 "[ ]"
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 34 SER O 1 38 PHE N 3.300 2.500 3.500 2.832 2.832 2.832 . 0 0 "[ ]" 5
2 1 34 SER O 1 38 PHE H 2.300 . 2.500 1.867 1.867 1.867 . 0 0 "[ ]" 5
3 1 36 GLU O 1 39 LYS N 3.300 2.500 3.500 3.144 3.144 3.144 . 0 0 "[ ]" 5
4 1 36 GLU O 1 39 LYS H 2.300 . 2.500 2.557 2.557 2.557 0.057 1 0 "[ ]" 5
5 1 37 ASP O 1 41 VAL N 3.300 2.500 3.500 2.909 2.909 2.909 . 0 0 "[ ]" 5
6 1 37 ASP O 1 41 VAL H 2.300 . 2.500 1.939 1.939 1.939 . 0 0 "[ ]" 5
7 1 38 PHE O 1 42 PHE N 3.300 2.500 3.500 3.351 3.351 3.351 . 0 0 "[ ]" 5
8 1 38 PHE O 1 42 PHE H 2.300 . 2.500 2.515 2.515 2.515 0.015 1 0 "[ ]" 5
9 1 39 LYS O 1 43 GLY N 3.300 2.500 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 5
10 1 39 LYS O 1 43 GLY H 2.300 . 2.500 2.517 2.517 2.517 0.017 1 0 "[ ]" 5
11 1 54 LEU O 1 58 GLN N 3.300 2.500 3.500 3.180 3.180 3.180 . 0 0 "[ ]" 5
12 1 54 LEU O 1 58 GLN H 2.300 . 2.500 2.212 2.212 2.212 . 0 0 "[ ]" 5
13 1 56 LYS O 1 60 LEU N 3.300 2.500 3.500 2.647 2.647 2.647 . 0 0 "[ ]" 5
14 1 56 LYS O 1 60 LEU H 2.300 . 2.500 1.983 1.983 1.983 . 0 0 "[ ]" 5
15 1 57 GLN O 1 61 LYS N 3.300 2.500 3.500 3.023 3.023 3.023 . 0 0 "[ ]" 5
16 1 57 GLN O 1 61 LYS H 2.300 . 2.500 2.148 2.148 2.148 . 0 0 "[ ]" 5
17 1 58 GLN O 1 62 LYS N 3.300 2.500 3.500 2.782 2.782 2.782 . 0 0 "[ ]" 5
18 1 58 GLN O 1 62 LYS H 2.300 . 2.500 1.827 1.827 1.827 . 0 0 "[ ]" 5
stop_
save_
Contact the webmaster for help, if required. Saturday, June 8, 2024 3:52:47 PM GMT (wattos1)