NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454624 |
2z4d   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2z4d
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 340
_Distance_constraint_stats_list.Viol_count 301
_Distance_constraint_stats_list.Viol_total 91.611
_Distance_constraint_stats_list.Viol_max 0.224
_Distance_constraint_stats_list.Viol_rms 0.0173
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0380
_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 1 THR 0.000 0.000 . 0 "[ . ]"
1 2 VAL 0.548 0.127 3 0 "[ . ]"
1 3 ILE 0.275 0.058 7 0 "[ . ]"
1 4 LYS 0.183 0.050 6 0 "[ . ]"
1 5 PHE 0.275 0.058 7 0 "[ . ]"
1 6 ARG 0.258 0.071 2 0 "[ . ]"
1 7 ALA 0.890 0.109 1 0 "[ . ]"
1 8 GLY 0.000 0.000 . 0 "[ . ]"
1 9 VAL 0.359 0.067 4 0 "[ . ]"
1 10 CYS 0.000 0.000 . 0 "[ . ]"
1 11 GLU 0.000 0.000 . 0 "[ . ]"
1 12 TYR 0.083 0.020 7 0 "[ . ]"
1 13 ASN 0.135 0.032 7 0 "[ . ]"
1 14 GLU 0.029 0.020 7 0 "[ . ]"
1 16 SER 0.070 0.035 3 0 "[ . ]"
1 17 ARG 0.000 0.000 . 0 "[ . ]"
1 18 LEU 0.205 0.035 3 0 "[ . ]"
1 19 CYS 0.343 0.043 8 0 "[ . ]"
1 20 THR 0.000 0.000 . 0 "[ . ]"
1 21 PRO 0.000 0.000 . 0 "[ . ]"
1 22 ILE 2.081 0.108 3 0 "[ . ]"
1 23 PRO 1.033 0.086 5 0 "[ . ]"
1 24 VAL 0.110 0.027 7 0 "[ . ]"
1 26 GLY 0.057 0.033 8 0 "[ . ]"
1 27 GLU 0.300 0.071 2 0 "[ . ]"
1 28 ILE 0.557 0.108 2 0 "[ . ]"
1 29 GLU 0.203 0.050 6 0 "[ . ]"
1 30 ILE 0.557 0.083 8 0 "[ . ]"
1 31 LYS 0.551 0.127 3 0 "[ . ]"
1 32 PRO 0.030 0.030 5 0 "[ . ]"
1 33 ASN 0.000 0.000 . 0 "[ . ]"
1 34 GLU 0.000 0.000 . 0 "[ . ]"
1 36 GLU 0.000 0.000 . 0 "[ . ]"
1 38 LEU 0.000 0.000 . 0 "[ . ]"
1 40 PHE 0.202 0.034 8 0 "[ . ]"
1 42 ASP 0.226 0.059 1 0 "[ . ]"
1 43 PHE 1.225 0.083 8 0 "[ . ]"
1 44 GLU 0.208 0.050 3 0 "[ . ]"
1 45 TRP 0.367 0.109 1 0 "[ . ]"
1 46 ARG 0.694 0.111 7 0 "[ . ]"
1 47 PRO 1.594 0.224 1 0 "[ . ]"
1 48 THR 0.062 0.033 8 0 "[ . ]"
1 50 LYS 0.022 0.019 1 0 "[ . ]"
1 51 PRO 0.088 0.027 7 0 "[ . ]"
1 52 VAL 0.000 0.000 . 0 "[ . ]"
1 54 ARG 0.195 0.066 7 0 "[ . ]"
1 56 LEU 0.073 0.025 3 0 "[ . ]"
1 57 ASP 1.586 0.224 1 0 "[ . ]"
1 58 PRO 0.644 0.111 7 0 "[ . ]"
1 59 ILE 0.481 0.054 4 0 "[ . ]"
1 60 SER 0.208 0.050 3 0 "[ . ]"
1 61 LEU 0.649 0.064 5 0 "[ . ]"
1 62 ILE 0.428 0.059 1 0 "[ . ]"
1 63 LEU 0.010 0.010 5 0 "[ . ]"
1 64 ILE 0.053 0.015 1 0 "[ . ]"
1 67 GLU 0.041 0.015 1 0 "[ . ]"
1 68 THR 0.466 0.115 6 0 "[ . ]"
1 69 MET 0.081 0.062 4 0 "[ . ]"
1 71 VAL 0.062 0.062 4 0 "[ . ]"
1 72 PRO 0.000 0.000 . 0 "[ . ]"
1 73 ILE 0.178 0.104 5 0 "[ . ]"
1 80 ARG 0.033 0.028 2 0 "[ . ]"
1 81 ILE 0.457 0.043 8 0 "[ . ]"
1 83 ALA 0.020 0.011 2 0 "[ . ]"
1 85 VAL 0.418 0.099 1 0 "[ . ]"
1 86 PHE 0.017 0.011 8 0 "[ . ]"
1 90 GLU 0.025 0.011 8 0 "[ . ]"
1 91 ARG 0.865 0.115 6 0 "[ . ]"
1 92 TYR 0.152 0.044 3 0 "[ . ]"
1 93 PHE 0.020 0.011 2 0 "[ . ]"
1 94 PHE 0.000 0.000 . 0 "[ . ]"
1 95 TRP 0.341 0.039 3 0 "[ . ]"
1 96 LEU 0.088 0.020 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 9 VAL HA 1 94 PHE HA 3.000 . 3.500 2.515 2.382 2.644 . 0 0 "[ . ]" 1
2 1 81 ILE HA 1 95 TRP HA 3.500 . 4.000 2.526 2.204 3.480 . 0 0 "[ . ]" 1
3 1 81 ILE MG 1 95 TRP HA 4.500 . 5.000 4.018 3.585 5.026 0.026 6 0 "[ . ]" 1
4 1 81 ILE MD 1 95 TRP HA 4.500 . 5.000 4.842 4.255 5.031 0.031 3 0 "[ . ]" 1
5 1 81 ILE HA 1 95 TRP QB 4.500 . 5.000 2.599 2.157 2.876 . 0 0 "[ . ]" 1
6 1 81 ILE MG 1 95 TRP QB 3.500 . 4.000 2.766 2.160 3.725 . 0 0 "[ . ]" 1
7 1 81 ILE MD 1 95 TRP QB 4.500 . 5.000 2.923 2.129 3.359 . 0 0 "[ . ]" 1
8 1 40 PHE HA 1 40 PHE QD 3.500 . 4.000 2.037 1.961 2.151 . 0 0 "[ . ]" 1
9 1 40 PHE HA 1 62 ILE MG 4.500 . 5.000 4.983 4.907 5.034 0.034 8 0 "[ . ]" 1
10 1 40 PHE HA 1 64 ILE MG 5.500 . 6.000 5.495 5.036 5.858 . 0 0 "[ . ]" 1
11 1 33 ASN QB 1 40 PHE QB 3.500 . 4.000 3.004 2.349 3.566 . 0 0 "[ . ]" 1
12 1 40 PHE QB 1 62 ILE MG 3.000 . 3.500 3.322 3.026 3.527 0.027 4 0 "[ . ]" 1
13 1 40 PHE QB 1 62 ILE MD 4.500 . 5.000 4.076 2.879 4.895 . 0 0 "[ . ]" 1
14 1 38 LEU QD 1 40 PHE QD 4.500 . 5.000 3.021 2.495 3.386 . 0 0 "[ . ]" 1
15 1 40 PHE QD 1 62 ILE MG 3.500 . 4.000 3.099 2.952 3.352 . 0 0 "[ . ]" 1
16 1 40 PHE QD 1 64 ILE MG 4.500 . 5.000 4.198 3.770 4.556 . 0 0 "[ . ]" 1
17 1 40 PHE QD 1 64 ILE MD 3.500 . 4.000 2.440 2.129 2.743 . 0 0 "[ . ]" 1
18 1 40 PHE HA 1 40 PHE QE 4.500 . 5.000 4.209 4.144 4.275 . 0 0 "[ . ]" 1
19 1 40 PHE QE 1 62 ILE MG 3.500 . 4.000 3.900 3.614 4.024 0.024 3 0 "[ . ]" 1
20 1 40 PHE QE 1 64 ILE MG 3.500 . 4.000 3.013 2.728 3.310 . 0 0 "[ . ]" 1
21 1 40 PHE QE 1 64 ILE MD 3.500 . 4.000 1.963 1.859 2.203 . 0 0 "[ . ]" 1
22 1 10 CYS HA 1 22 ILE QG 3.500 . 4.000 2.152 1.969 2.341 . 0 0 "[ . ]" 1
23 1 10 CYS HA 1 22 ILE MD 4.500 . 5.000 3.195 2.973 3.384 . 0 0 "[ . ]" 1
24 1 10 CYS HA 1 21 PRO HA 3.500 . 4.000 2.386 2.007 2.665 . 0 0 "[ . ]" 1
25 1 38 LEU HA 1 38 LEU QD 3.000 . 3.500 2.070 1.938 2.186 . 0 0 "[ . ]" 1
26 1 18 LEU HA 1 18 LEU HG 3.500 . 4.000 2.697 2.066 3.595 . 0 0 "[ . ]" 1
27 1 18 LEU HA 1 18 LEU QD 3.000 . 3.500 2.683 2.059 3.353 . 0 0 "[ . ]" 1
28 1 13 ASN HA 1 18 LEU QB 5.500 . 6.000 5.903 5.666 6.032 0.032 7 0 "[ . ]" 1
29 1 13 ASN QB 1 18 LEU QB 3.500 . 4.000 3.403 3.196 3.600 . 0 0 "[ . ]" 1
30 1 16 SER HA 1 18 LEU QB 4.500 . 5.000 4.934 4.769 5.035 0.035 3 0 "[ . ]" 1
31 1 16 SER QB 1 18 LEU QB 3.500 . 4.000 2.708 2.557 3.270 . 0 0 "[ . ]" 1
32 1 83 ALA HA 1 93 PHE HA 3.000 . 3.500 2.246 1.967 2.584 . 0 0 "[ . ]" 1
33 1 83 ALA MB 1 93 PHE HA 3.500 . 4.000 3.492 2.204 4.011 0.011 2 0 "[ . ]" 1
34 1 93 PHE HA 1 93 PHE QD 3.500 . 4.000 2.978 2.711 3.094 . 0 0 "[ . ]" 1
35 1 83 ALA HA 1 93 PHE QD 4.500 . 5.000 3.000 1.917 4.235 . 0 0 "[ . ]" 1
36 1 83 ALA MB 1 93 PHE QD 3.500 . 4.000 2.292 1.939 2.899 . 0 0 "[ . ]" 1
37 1 5 PHE HA 1 5 PHE QD 3.500 . 4.000 2.801 2.574 2.970 . 0 0 "[ . ]" 1
38 1 3 ILE MG 1 5 PHE QD 3.000 . 3.500 2.392 1.997 3.314 . 0 0 "[ . ]" 1
39 1 3 ILE MD 1 5 PHE QD 3.500 . 4.000 4.034 4.003 4.058 0.058 7 0 "[ . ]" 1
40 1 27 GLU HA 1 27 GLU QG 3.500 . 4.000 2.731 2.070 3.206 . 0 0 "[ . ]" 1
41 1 6 ARG HA 1 27 GLU HA 3.000 . 3.500 2.243 1.930 2.494 . 0 0 "[ . ]" 1
42 1 6 ARG QG 1 27 GLU HA 4.500 . 5.000 3.731 3.213 4.539 . 0 0 "[ . ]" 1
43 1 6 ARG QD 1 27 GLU HA 4.500 . 5.000 4.315 3.409 4.982 . 0 0 "[ . ]" 1
44 1 27 GLU QB 1 46 ARG QD 3.500 . 4.000 3.562 2.671 4.028 0.028 6 0 "[ . ]" 1
45 1 27 GLU QG 1 46 ARG QG 3.500 . 4.000 2.943 2.292 3.899 . 0 0 "[ . ]" 1
46 1 1 THR HA 1 1 THR HB 3.000 . 3.500 3.036 3.032 3.037 . 0 0 "[ . ]" 1
47 1 1 THR HA 1 1 THR MG 3.000 . 3.500 2.306 2.198 2.378 . 0 0 "[ . ]" 1
48 1 17 ARG HA 1 17 ARG QG 3.000 . 3.500 2.076 1.988 2.188 . 0 0 "[ . ]" 1
49 1 17 ARG HA 1 17 ARG QD 3.500 . 4.000 3.599 2.762 3.966 . 0 0 "[ . ]" 1
50 1 12 TYR QE 1 17 ARG HA 3.500 . 4.000 2.146 2.003 2.409 . 0 0 "[ . ]" 1
51 1 12 TYR QE 1 17 ARG QG 4.500 . 5.000 2.651 2.368 3.292 . 0 0 "[ . ]" 1
52 1 14 GLU HA 1 17 ARG QG 4.500 . 5.000 3.007 2.699 3.424 . 0 0 "[ . ]" 1
53 1 14 GLU HA 1 17 ARG QD 4.500 . 5.000 4.277 3.129 4.963 . 0 0 "[ . ]" 1
54 1 92 TYR HA 1 92 TYR QD 3.500 . 4.000 3.086 3.069 3.105 . 0 0 "[ . ]" 1
55 1 61 LEU QD 1 92 TYR QE 3.500 . 4.000 3.876 3.636 4.012 0.012 6 0 "[ . ]" 1
56 1 91 ARG HA 1 91 ARG QG 3.500 . 4.000 2.372 2.228 2.498 . 0 0 "[ . ]" 1
57 1 91 ARG HA 1 91 ARG QD 4.500 . 5.000 3.833 3.527 4.101 . 0 0 "[ . ]" 1
58 1 85 VAL HA 1 91 ARG HA 3.000 . 3.500 2.285 1.973 2.634 . 0 0 "[ . ]" 1
59 1 85 VAL QG 1 91 ARG HA 3.500 . 4.000 3.288 2.688 3.682 . 0 0 "[ . ]" 1
60 1 85 VAL QG 1 91 ARG QD 3.000 . 3.500 2.481 1.710 3.599 0.099 1 0 "[ . ]" 1
61 1 36 GLU HA 1 36 GLU QG 3.000 . 3.500 2.290 2.003 3.310 . 0 0 "[ . ]" 1
62 1 47 PRO QD 1 57 ASP QB 3.000 . 3.500 3.698 3.664 3.724 0.224 1 0 "[ . ]" 1
63 1 52 VAL HA 1 52 VAL HB 3.000 . 3.500 2.764 2.481 3.041 . 0 0 "[ . ]" 1
64 1 42 ASP HA 1 62 ILE HA 3.500 . 4.000 2.641 2.295 3.223 . 0 0 "[ . ]" 1
65 1 62 ILE HA 1 62 ILE MG 3.000 . 3.500 2.527 2.500 2.551 . 0 0 "[ . ]" 1
66 1 62 ILE HA 1 62 ILE QG 3.000 . 3.500 2.423 2.225 2.752 . 0 0 "[ . ]" 1
67 1 62 ILE HA 1 62 ILE MD 3.500 . 4.000 3.061 1.865 3.770 . 0 0 "[ . ]" 1
68 1 54 ARG HA 1 54 ARG QG 3.000 . 3.500 2.582 2.407 3.416 . 0 0 "[ . ]" 1
69 1 54 ARG HA 1 54 ARG QD 3.500 . 4.000 2.738 2.077 4.066 0.066 7 0 "[ . ]" 1
70 1 54 ARG QB 1 54 ARG QD 3.000 . 3.500 2.192 2.050 2.511 . 0 0 "[ . ]" 1
71 1 22 ILE MG 1 54 ARG QD 3.000 . 3.500 3.419 3.266 3.514 0.014 3 0 "[ . ]" 1
72 1 22 ILE MD 1 54 ARG QD 4.500 . 5.000 4.873 4.024 5.020 0.020 2 0 "[ . ]" 1
73 1 90 GLU QB 1 92 TYR QE 5.500 . 6.000 2.630 2.148 3.141 . 0 0 "[ . ]" 1
74 1 86 PHE QB 1 90 GLU QB 3.500 . 4.000 2.993 1.887 3.732 . 0 0 "[ . ]" 1
75 1 90 GLU QG 1 92 TYR QE 3.500 . 4.000 3.688 3.148 4.008 0.008 5 0 "[ . ]" 1
76 1 86 PHE QB 1 90 GLU QG 3.500 . 4.000 2.875 1.795 4.011 0.011 8 0 "[ . ]" 1
77 1 2 VAL HA 1 2 VAL QG 3.000 . 3.500 2.136 2.039 2.357 . 0 0 "[ . ]" 1
78 1 2 VAL HA 1 31 LYS HA 3.500 . 4.000 2.828 2.484 3.211 . 0 0 "[ . ]" 1
79 1 2 VAL HA 1 31 LYS QB 3.500 . 4.000 4.065 4.014 4.127 0.127 3 0 "[ . ]" 1
80 1 30 ILE HA 1 43 PHE HA 3.000 . 3.500 3.102 3.086 3.129 . 0 0 "[ . ]" 1
81 1 43 PHE QB 1 61 LEU QB 4.500 . 5.000 1.760 1.736 1.774 0.064 5 0 "[ . ]" 1
82 1 43 PHE QB 1 61 LEU QD 4.500 . 5.000 2.299 2.123 2.414 . 0 0 "[ . ]" 1
83 1 43 PHE QB 1 63 LEU QD 3.500 . 4.000 2.873 2.724 3.052 . 0 0 "[ . ]" 1
84 1 43 PHE HA 1 43 PHE QD 3.500 . 4.000 1.754 1.742 1.771 0.058 5 0 "[ . ]" 1
85 1 30 ILE HA 1 43 PHE QD 4.500 . 5.000 2.071 2.002 2.157 . 0 0 "[ . ]" 1
86 1 30 ILE MG 1 43 PHE QD 3.500 . 4.000 3.800 3.588 3.902 . 0 0 "[ . ]" 1
87 1 85 VAL HA 1 91 ARG QB 3.500 . 4.000 2.600 1.955 3.430 . 0 0 "[ . ]" 1
88 1 85 VAL HA 1 91 ARG QG 3.500 . 4.000 2.039 1.843 2.775 . 0 0 "[ . ]" 1
89 1 85 VAL HA 1 91 ARG QD 4.500 . 5.000 3.581 2.919 4.621 . 0 0 "[ . ]" 1
90 1 85 VAL HA 1 85 VAL QG 3.000 . 3.500 2.109 2.024 2.247 . 0 0 "[ . ]" 1
91 1 50 LYS HA 1 50 LYS QG 3.500 . 4.000 3.144 2.299 3.339 . 0 0 "[ . ]" 1
92 1 50 LYS HA 1 51 PRO QG 3.500 . 4.000 3.891 3.877 3.906 . 0 0 "[ . ]" 1
93 1 50 LYS HA 1 51 PRO QD 3.000 . 3.500 1.985 1.976 1.991 . 0 0 "[ . ]" 1
94 1 28 ILE HA 1 45 TRP HA 3.500 . 4.000 2.055 1.932 2.312 . 0 0 "[ . ]" 1
95 1 28 ILE HA 1 28 ILE MG 3.500 . 4.000 2.377 1.976 2.568 . 0 0 "[ . ]" 1
96 1 28 ILE HA 1 28 ILE QG 3.500 . 4.000 2.567 2.224 3.369 . 0 0 "[ . ]" 1
97 1 28 ILE HA 1 28 ILE MD 3.500 . 4.000 3.012 2.167 3.823 . 0 0 "[ . ]" 1
98 1 11 GLU HA 1 11 GLU QG 3.000 . 3.500 2.519 2.020 3.345 . 0 0 "[ . ]" 1
99 1 11 GLU HA 1 22 ILE MD 4.500 . 5.000 2.556 2.365 2.625 . 0 0 "[ . ]" 1
100 1 12 TYR HA 1 12 TYR QD 3.500 . 4.000 3.214 3.175 3.252 . 0 0 "[ . ]" 1
101 1 12 TYR HA 1 19 CYS HA 3.000 . 3.500 2.594 2.367 2.873 . 0 0 "[ . ]" 1
102 1 12 TYR QD 1 19 CYS HA 4.500 . 5.000 3.582 3.260 4.005 . 0 0 "[ . ]" 1
103 1 12 TYR QD 1 19 CYS QB 3.500 . 4.000 3.841 3.420 4.018 0.018 8 0 "[ . ]" 1
104 1 12 TYR QE 1 17 ARG QD 4.500 . 5.000 4.245 2.434 4.777 . 0 0 "[ . ]" 1
105 1 12 TYR QE 1 14 GLU HA 3.500 . 4.000 3.064 2.468 3.458 . 0 0 "[ . ]" 1
106 1 12 TYR QE 1 14 GLU QB 3.500 . 4.000 3.196 2.014 4.009 0.009 5 0 "[ . ]" 1
107 1 12 TYR QE 1 14 GLU QG 3.500 . 4.000 2.678 1.827 4.020 0.020 7 0 "[ . ]" 1
108 1 14 GLU HA 1 14 GLU QG 3.500 . 4.000 2.648 2.016 3.355 . 0 0 "[ . ]" 1
109 1 13 ASN HA 1 14 GLU HA 4.500 . 5.000 4.472 4.454 4.501 . 0 0 "[ . ]" 1
110 1 14 GLU QG 1 17 ARG HA 5.500 . 6.000 5.029 4.345 5.967 . 0 0 "[ . ]" 1
111 1 7 ALA HA 1 96 LEU HA 3.500 . 4.000 3.494 3.182 3.838 . 0 0 "[ . ]" 1
112 1 7 ALA MB 1 96 LEU HA 3.500 . 4.000 3.978 3.784 4.020 0.020 1 0 "[ . ]" 1
113 1 96 LEU HA 1 96 LEU QD 3.000 . 3.500 3.178 2.574 3.425 . 0 0 "[ . ]" 1
114 1 45 TRP HA 1 45 TRP HD1 4.500 . 5.000 3.151 3.065 3.218 . 0 0 "[ . ]" 1
115 1 45 TRP HA 1 59 ILE MD 4.500 . 5.000 4.861 4.800 4.923 . 0 0 "[ . ]" 1
116 1 28 ILE QG 1 45 TRP HA 4.500 . 5.000 3.540 2.827 4.953 . 0 0 "[ . ]" 1
117 1 28 ILE MD 1 45 TRP HA 4.500 . 5.000 3.787 3.034 5.012 0.012 6 0 "[ . ]" 1
118 1 45 TRP QB 1 59 ILE HB 3.500 . 4.000 1.870 1.792 1.918 0.008 1 0 "[ . ]" 1
119 1 45 TRP QB 1 59 ILE MG 4.500 . 5.000 3.341 3.291 3.399 . 0 0 "[ . ]" 1
120 1 45 TRP QB 1 59 ILE MD 3.500 . 4.000 2.434 2.391 2.517 . 0 0 "[ . ]" 1
121 1 28 ILE MD 1 45 TRP QB 4.500 . 5.000 3.883 3.403 4.700 . 0 0 "[ . ]" 1
122 1 45 TRP HE3 1 59 ILE HB 4.500 . 5.000 3.359 3.149 3.456 . 0 0 "[ . ]" 1
123 1 45 TRP HE3 1 59 ILE MG 4.500 . 5.000 4.709 4.518 4.782 . 0 0 "[ . ]" 1
124 1 45 TRP HE3 1 59 ILE MD 3.500 . 4.000 2.187 2.119 2.226 . 0 0 "[ . ]" 1
125 1 45 TRP HE3 1 58 PRO HA 3.500 . 4.000 2.399 2.168 2.834 . 0 0 "[ . ]" 1
126 1 6 ARG HA 1 27 GLU QB 3.500 . 4.000 3.102 2.238 4.025 0.025 4 0 "[ . ]" 1
127 1 6 ARG HA 1 27 GLU QG 3.500 . 4.000 3.572 2.629 4.071 0.071 2 0 "[ . ]" 1
128 1 6 ARG HA 1 6 ARG QG 3.000 . 3.500 2.312 2.117 2.513 . 0 0 "[ . ]" 1
129 1 6 ARG HA 1 6 ARG QD 3.000 . 3.500 3.133 2.583 3.516 0.016 2 0 "[ . ]" 1
130 1 59 ILE HA 1 59 ILE MG 3.000 . 3.500 2.450 2.426 2.499 . 0 0 "[ . ]" 1
131 1 59 ILE HA 1 59 ILE QG 3.500 . 4.000 2.420 2.369 2.480 . 0 0 "[ . ]" 1
132 1 59 ILE HA 1 59 ILE MD 3.500 . 4.000 3.819 3.784 3.870 . 0 0 "[ . ]" 1
133 1 59 ILE MG 1 61 LEU HA 4.500 . 5.000 3.967 3.856 4.085 . 0 0 "[ . ]" 1
134 1 61 LEU HA 1 61 LEU HG 3.500 . 4.000 3.239 3.156 3.285 . 0 0 "[ . ]" 1
135 1 61 LEU HA 1 61 LEU QD 3.000 . 3.500 2.016 1.943 2.130 . 0 0 "[ . ]" 1
136 1 34 GLU HA 1 34 GLU QG 3.000 . 3.500 2.552 2.142 3.315 . 0 0 "[ . ]" 1
137 1 29 GLU HA 1 29 GLU QG 3.000 . 3.500 2.402 2.157 2.827 . 0 0 "[ . ]" 1
138 1 4 LYS HA 1 29 GLU HA 3.000 . 3.500 1.900 1.788 2.028 0.012 3 0 "[ . ]" 1
139 1 4 LYS QB 1 29 GLU HA 3.500 . 4.000 3.741 2.136 4.039 0.039 2 0 "[ . ]" 1
140 1 4 LYS QG 1 29 GLU HA 3.500 . 4.000 2.771 1.966 4.050 0.050 6 0 "[ . ]" 1
141 1 4 LYS QD 1 29 GLU HA 4.500 . 5.000 4.256 2.753 4.923 . 0 0 "[ . ]" 1
142 1 2 VAL QG 1 29 GLU HA 4.500 . 5.000 4.277 3.627 5.027 0.027 3 0 "[ . ]" 1
143 1 56 LEU HA 1 56 LEU HG 3.500 . 4.000 2.994 2.049 3.550 . 0 0 "[ . ]" 1
144 1 56 LEU HA 1 56 LEU QD 3.000 . 3.500 2.166 1.778 2.847 0.022 6 0 "[ . ]" 1
145 1 9 VAL QG 1 56 LEU QB 4.500 . 5.000 3.825 3.375 4.089 . 0 0 "[ . ]" 1
146 1 4 LYS HA 1 29 GLU QB 4.500 . 5.000 3.815 3.544 4.058 . 0 0 "[ . ]" 1
147 1 4 LYS HA 1 29 GLU QG 4.500 . 5.000 3.304 2.672 4.468 . 0 0 "[ . ]" 1
148 1 4 LYS HA 1 4 LYS QG 3.500 . 4.000 2.231 1.974 3.298 . 0 0 "[ . ]" 1
149 1 4 LYS HA 1 4 LYS QD 4.500 . 5.000 3.686 2.884 4.282 . 0 0 "[ . ]" 1
150 1 4 LYS HA 1 4 LYS QE 4.500 . 5.000 4.216 3.611 4.543 . 0 0 "[ . ]" 1
151 1 4 LYS QB 1 4 LYS QE 3.000 . 3.500 2.708 1.949 3.506 0.006 8 0 "[ . ]" 1
152 1 4 LYS QG 1 29 GLU QG 3.500 . 4.000 2.596 1.803 3.973 . 0 0 "[ . ]" 1
153 1 4 LYS QE 1 4 LYS QG 3.000 . 3.500 2.186 1.954 2.365 . 0 0 "[ . ]" 1
154 1 4 LYS QE 1 29 GLU QB 5.500 . 6.000 4.154 2.489 6.008 0.008 5 0 "[ . ]" 1
155 1 4 LYS QE 1 29 GLU QG 4.500 . 5.000 3.574 2.197 4.291 . 0 0 "[ . ]" 1
156 1 7 ALA MB 1 96 LEU QD 3.500 . 4.000 3.773 3.372 4.006 0.006 3 0 "[ . ]" 1
157 1 24 VAL HA 1 24 VAL QG 3.000 . 3.500 2.181 2.097 2.367 . 0 0 "[ . ]" 1
158 1 46 ARG HA 1 46 ARG QG 3.500 . 4.000 3.266 3.242 3.285 . 0 0 "[ . ]" 1
159 1 46 ARG HA 1 46 ARG QD 4.500 . 5.000 4.385 4.321 4.521 . 0 0 "[ . ]" 1
160 1 46 ARG HA 1 58 PRO HA 3.500 . 4.000 1.841 1.817 1.903 . 0 0 "[ . ]" 1
161 1 46 ARG HA 1 58 PRO QB 3.500 . 4.000 2.824 2.463 3.228 . 0 0 "[ . ]" 1
162 1 46 ARG HA 1 58 PRO QG 4.500 . 5.000 4.215 3.932 4.568 . 0 0 "[ . ]" 1
163 1 46 ARG HA 1 58 PRO QD 3.000 . 3.500 3.225 2.859 3.561 0.061 8 0 "[ . ]" 1
164 1 46 ARG QB 1 46 ARG QD 3.000 . 3.500 2.095 1.995 2.254 . 0 0 "[ . ]" 1
165 1 46 ARG QB 1 58 PRO HA 4.500 . 5.000 2.963 2.689 3.201 . 0 0 "[ . ]" 1
166 1 46 ARG QB 1 58 PRO QB 3.500 . 4.000 2.343 1.950 2.567 . 0 0 "[ . ]" 1
167 1 46 ARG QB 1 58 PRO QD 3.000 . 3.500 3.440 3.283 3.525 0.025 4 0 "[ . ]" 1
168 1 46 ARG QG 1 58 PRO HA 4.500 . 5.000 4.432 3.875 4.696 . 0 0 "[ . ]" 1
169 1 46 ARG QG 1 58 PRO QB 4.500 . 5.000 4.233 3.596 4.541 . 0 0 "[ . ]" 1
170 1 46 ARG QG 1 58 PRO QD 4.500 . 5.000 5.064 5.025 5.111 0.111 7 0 "[ . ]" 1
171 1 27 GLU QG 1 46 ARG QD 4.500 . 5.000 3.198 2.158 4.857 . 0 0 "[ . ]" 1
172 1 44 GLU HA 1 44 GLU QG 3.000 . 3.500 2.178 2.043 2.486 . 0 0 "[ . ]" 1
173 1 44 GLU QB 1 60 SER HA 3.500 . 4.000 3.991 3.717 4.050 0.050 3 0 "[ . ]" 1
174 1 44 GLU QG 1 60 SER HA 3.500 . 4.000 2.715 2.273 3.623 . 0 0 "[ . ]" 1
175 1 68 THR HA 1 86 PHE HA 3.500 . 4.000 2.169 1.960 2.657 . 0 0 "[ . ]" 1
176 1 68 THR HB 1 86 PHE HA 5.500 . 6.000 4.543 4.013 5.186 . 0 0 "[ . ]" 1
177 1 68 THR HA 1 86 PHE QD 4.500 . 5.000 3.145 2.398 4.226 . 0 0 "[ . ]" 1
178 1 68 THR HB 1 86 PHE QD 5.500 . 6.000 5.091 4.314 5.635 . 0 0 "[ . ]" 1
179 1 63 LEU HA 1 63 LEU QD 3.000 . 3.500 2.078 1.938 2.146 . 0 0 "[ . ]" 1
180 1 42 ASP HA 1 62 ILE MG 4.500 . 5.000 4.303 3.957 4.869 . 0 0 "[ . ]" 1
181 1 42 ASP HA 1 62 ILE QG 4.500 . 5.000 3.812 3.370 4.779 . 0 0 "[ . ]" 1
182 1 42 ASP HA 1 62 ILE MD 4.500 . 5.000 4.249 2.757 5.059 0.059 1 0 "[ . ]" 1
183 1 42 ASP QB 1 62 ILE HA 5.500 . 6.000 4.470 3.723 5.191 . 0 0 "[ . ]" 1
184 1 31 LYS QG 1 42 ASP QB 3.500 . 4.000 2.589 1.844 3.555 . 0 0 "[ . ]" 1
185 1 3 ILE HA 1 3 ILE MG 3.000 . 3.500 2.821 2.147 3.212 . 0 0 "[ . ]" 1
186 1 3 ILE HA 1 3 ILE MD 3.500 . 4.000 3.059 1.924 3.910 . 0 0 "[ . ]" 1
187 1 9 VAL QG 1 94 PHE HA 4.500 . 5.000 3.638 3.393 3.786 . 0 0 "[ . ]" 1
188 1 59 ILE MG 1 60 SER HA 4.500 . 5.000 4.290 4.223 4.333 . 0 0 "[ . ]" 1
189 1 44 GLU HA 1 60 SER QB 4.500 . 5.000 4.020 3.857 4.220 . 0 0 "[ . ]" 1
190 1 3 ILE HB 1 3 ILE MD 3.000 . 3.500 2.612 2.124 3.202 . 0 0 "[ . ]" 1
191 1 9 VAL HB 1 94 PHE HA 5.500 . 6.000 5.080 4.907 5.174 . 0 0 "[ . ]" 1
192 1 9 VAL QG 1 56 LEU QD 3.000 . 3.500 2.763 2.155 3.316 . 0 0 "[ . ]" 1
193 1 9 VAL QG 1 59 ILE MD 3.000 . 3.500 1.925 1.780 2.030 0.020 7 0 "[ . ]" 1
194 1 9 VAL QG 1 22 ILE HB 3.500 . 4.000 3.425 3.363 3.543 . 0 0 "[ . ]" 1
195 1 9 VAL QG 1 22 ILE MG 3.000 . 3.500 3.538 3.514 3.567 0.067 4 0 "[ . ]" 1
196 1 9 VAL QG 1 22 ILE QG 4.500 . 5.000 2.878 2.768 2.962 . 0 0 "[ . ]" 1
197 1 9 VAL QG 1 22 ILE MD 3.000 . 3.500 2.501 2.460 2.581 . 0 0 "[ . ]" 1
198 1 13 ASN QB 1 18 LEU QD 4.500 . 5.000 3.392 1.778 4.498 0.022 7 0 "[ . ]" 1
199 1 16 SER HA 1 18 LEU QD 4.500 . 5.000 4.351 3.951 5.002 0.002 1 0 "[ . ]" 1
200 1 16 SER QB 1 18 LEU QD 3.000 . 3.500 2.562 1.991 3.156 . 0 0 "[ . ]" 1
201 1 52 VAL HA 1 52 VAL QG 3.000 . 3.500 2.150 2.049 2.269 . 0 0 "[ . ]" 1
202 1 38 LEU HA 1 38 LEU HG 3.000 . 3.500 3.310 3.285 3.334 . 0 0 "[ . ]" 1
203 1 28 ILE HA 1 45 TRP HD1 4.500 . 5.000 3.504 3.293 3.653 . 0 0 "[ . ]" 1
204 1 7 ALA MB 1 45 TRP HD1 3.000 . 3.500 3.497 3.242 3.609 0.109 1 0 "[ . ]" 1
205 1 28 ILE QG 1 45 TRP HD1 3.500 . 4.000 2.586 1.916 3.982 . 0 0 "[ . ]" 1
206 1 28 ILE MD 1 45 TRP HD1 3.000 . 3.500 2.359 1.793 3.505 0.007 7 0 "[ . ]" 1
207 1 45 TRP HZ3 1 58 PRO HA 4.500 . 5.000 4.002 3.834 4.270 . 0 0 "[ . ]" 1
208 1 24 VAL QG 1 45 TRP HZ2 4.500 . 5.000 3.068 2.417 3.629 . 0 0 "[ . ]" 1
209 1 26 GLY QA 1 45 TRP HZ2 3.500 . 4.000 2.323 2.192 2.478 . 0 0 "[ . ]" 1
210 1 45 TRP HH2 1 56 LEU QB 3.000 . 3.500 1.989 1.901 2.114 . 0 0 "[ . ]" 1
211 1 45 TRP HH2 1 56 LEU HG 3.500 . 4.000 3.381 1.981 4.025 0.025 3 0 "[ . ]" 1
212 1 24 VAL QG 1 45 TRP HH2 3.500 . 4.000 2.722 2.246 3.253 . 0 0 "[ . ]" 1
213 1 26 GLY QA 1 45 TRP HH2 4.500 . 5.000 3.439 3.313 3.543 . 0 0 "[ . ]" 1
214 1 48 THR HA 1 48 THR MG 3.000 . 3.500 3.193 3.184 3.200 . 0 0 "[ . ]" 1
215 1 27 GLU HA 1 48 THR MG 4.500 . 5.000 4.036 3.978 4.131 . 0 0 "[ . ]" 1
216 1 27 GLU QB 1 48 THR MG 3.000 . 3.500 1.901 1.795 2.085 0.005 8 0 "[ . ]" 1
217 1 27 GLU QG 1 48 THR MG 3.000 . 3.500 2.106 1.849 2.390 . 0 0 "[ . ]" 1
218 1 46 ARG QD 1 48 THR MG 4.500 . 5.000 2.469 2.217 2.648 . 0 0 "[ . ]" 1
219 1 26 GLY QA 1 48 THR MG 3.000 . 3.500 3.203 2.918 3.533 0.033 8 0 "[ . ]" 1
220 1 85 VAL QG 1 91 ARG QB 3.500 . 4.000 2.078 1.802 2.496 . 0 0 "[ . ]" 1
221 1 85 VAL QG 1 91 ARG QG 3.000 . 3.500 1.999 1.739 2.874 0.061 3 0 "[ . ]" 1
222 1 69 MET QG 1 85 VAL QG 3.500 . 4.000 3.767 3.311 4.012 0.012 4 0 "[ . ]" 1
223 1 8 GLY QA 1 95 TRP HD1 4.500 . 5.000 2.709 2.442 2.856 . 0 0 "[ . ]" 1
224 1 23 PRO HA 1 95 TRP HZ2 3.000 . 3.500 3.522 3.506 3.539 0.039 3 0 "[ . ]" 1
225 1 23 PRO HA 1 95 TRP HH2 4.500 . 5.000 4.267 4.125 4.552 . 0 0 "[ . ]" 1
226 1 80 ARG HA 1 96 LEU QD 4.500 . 5.000 4.757 3.787 5.002 0.002 2 0 "[ . ]" 1
227 1 80 ARG QD 1 96 LEU QD 4.500 . 5.000 4.104 3.094 5.002 0.002 8 0 "[ . ]" 1
228 1 59 ILE HB 1 59 ILE MD 3.000 . 3.500 1.938 1.913 1.952 . 0 0 "[ . ]" 1
229 1 59 ILE MG 1 61 LEU QD 3.000 . 3.500 1.763 1.746 1.777 0.054 4 0 "[ . ]" 1
230 1 9 VAL HB 1 59 ILE MD 3.500 . 4.000 3.897 3.719 4.022 0.022 8 0 "[ . ]" 1
231 1 61 LEU QD 1 63 LEU QD 3.500 . 4.000 3.912 3.737 4.010 0.010 5 0 "[ . ]" 1
232 1 62 ILE HB 1 62 ILE MD 3.000 . 3.500 2.641 2.222 3.209 . 0 0 "[ . ]" 1
233 1 62 ILE QG 1 62 ILE MG 3.000 . 3.500 2.305 2.239 2.344 . 0 0 "[ . ]" 1
234 1 28 ILE HB 1 28 ILE MD 3.500 . 4.000 2.432 2.147 3.196 . 0 0 "[ . ]" 1
235 1 28 ILE MG 1 45 TRP HA 4.500 . 5.000 3.765 3.238 4.072 . 0 0 "[ . ]" 1
236 1 28 ILE MG 1 29 GLU HA 4.500 . 5.000 3.704 3.355 4.513 . 0 0 "[ . ]" 1
237 1 4 LYS HA 1 28 ILE MG 5.500 . 6.000 4.478 3.978 5.460 . 0 0 "[ . ]" 1
238 1 7 ALA MB 1 28 ILE MG 3.500 . 4.000 3.798 3.205 4.032 0.032 3 0 "[ . ]" 1
239 1 28 ILE MD 1 28 ILE MG 3.000 . 3.500 2.430 1.883 3.208 . 0 0 "[ . ]" 1
240 1 7 ALA MB 1 28 ILE MD 3.000 . 3.500 1.744 1.692 1.780 0.108 2 0 "[ . ]" 1
241 1 24 VAL QG 1 50 LYS HA 4.500 . 5.000 4.909 4.750 5.019 0.019 1 0 "[ . ]" 1
242 1 24 VAL QG 1 51 PRO HA 3.500 . 4.000 2.165 1.855 2.461 . 0 0 "[ . ]" 1
243 1 24 VAL QG 1 51 PRO QB 3.000 . 3.500 1.994 1.792 2.138 0.008 6 0 "[ . ]" 1
244 1 24 VAL QG 1 51 PRO QG 3.000 . 3.500 3.459 3.259 3.527 0.027 7 0 "[ . ]" 1
245 1 24 VAL QG 1 51 PRO QD 3.500 . 4.000 3.722 3.613 3.818 . 0 0 "[ . ]" 1
246 1 63 LEU HA 1 63 LEU HG 3.500 . 4.000 3.114 3.020 3.172 . 0 0 "[ . ]" 1
247 1 22 ILE HB 1 23 PRO HA 5.500 . 6.000 4.979 4.913 5.039 . 0 0 "[ . ]" 1
248 1 22 ILE HB 1 23 PRO QD 4.500 . 5.000 3.596 3.561 3.657 . 0 0 "[ . ]" 1
249 1 22 ILE MG 1 23 PRO QD 3.000 . 3.500 1.805 1.784 1.842 0.016 1 0 "[ . ]" 1
250 1 22 ILE QG 1 23 PRO QD 3.500 . 4.000 4.072 4.053 4.086 0.086 5 0 "[ . ]" 1
251 1 22 ILE MD 1 23 PRO QD 3.500 . 4.000 4.010 3.844 4.074 0.074 8 0 "[ . ]" 1
252 1 50 LYS QB 1 51 PRO QD 3.000 . 3.500 3.335 3.256 3.423 . 0 0 "[ . ]" 1
253 1 50 LYS QG 1 51 PRO QD 4.500 . 5.000 4.215 3.732 4.436 . 0 0 "[ . ]" 1
254 1 51 PRO HA 1 51 PRO QD 3.500 . 4.000 3.489 3.460 3.513 . 0 0 "[ . ]" 1
255 1 51 PRO QB 1 51 PRO QD 3.000 . 3.500 2.929 2.893 2.964 . 0 0 "[ . ]" 1
256 1 30 ILE HA 1 30 ILE MG 3.500 . 4.000 2.447 2.345 2.483 . 0 0 "[ . ]" 1
257 1 30 ILE HA 1 30 ILE MD 3.500 . 4.000 2.242 1.962 2.502 . 0 0 "[ . ]" 1
258 1 30 ILE HB 1 30 ILE MD 3.000 . 3.500 2.664 2.369 3.210 . 0 0 "[ . ]" 1
259 1 30 ILE MG 1 43 PHE HA 4.500 . 5.000 5.019 4.850 5.083 0.083 8 0 "[ . ]" 1
260 1 30 ILE QG 1 43 PHE HA 4.500 . 5.000 4.914 4.731 5.060 0.060 5 0 "[ . ]" 1
261 1 30 ILE HA 1 30 ILE QG 3.500 . 4.000 2.652 2.403 3.072 . 0 0 "[ . ]" 1
262 1 30 ILE MD 1 43 PHE HA 3.500 . 4.000 3.553 3.331 3.816 . 0 0 "[ . ]" 1
263 1 28 ILE MG 1 30 ILE MD 3.000 . 3.500 2.536 2.134 3.517 0.017 7 0 "[ . ]" 1
264 1 1 THR MG 1 31 LYS HA 5.500 . 6.000 5.159 4.370 5.557 . 0 0 "[ . ]" 1
265 1 2 VAL QG 1 31 LYS HA 4.500 . 5.000 3.261 2.719 4.091 . 0 0 "[ . ]" 1
266 1 31 LYS HA 1 32 PRO QG 4.500 . 5.000 3.830 3.776 3.900 . 0 0 "[ . ]" 1
267 1 31 LYS HA 1 32 PRO QD 3.000 . 3.500 1.890 1.819 1.989 . 0 0 "[ . ]" 1
268 1 31 LYS QB 1 42 ASP QB 4.500 . 5.000 1.886 1.807 2.024 . 0 0 "[ . ]" 1
269 1 31 LYS HA 1 31 LYS QD 4.500 . 5.000 3.429 2.164 4.225 . 0 0 "[ . ]" 1
270 1 31 LYS QB 1 31 LYS QD 3.000 . 3.500 2.235 2.056 2.518 . 0 0 "[ . ]" 1
271 1 2 VAL QG 1 31 LYS QE 4.500 . 5.000 3.208 1.978 4.075 . 0 0 "[ . ]" 1
272 1 31 LYS QE 1 31 LYS QG 3.000 . 3.500 2.105 1.966 2.250 . 0 0 "[ . ]" 1
273 1 22 ILE HA 1 22 ILE MG 3.000 . 3.500 2.185 2.180 2.192 . 0 0 "[ . ]" 1
274 1 22 ILE HA 1 22 ILE QG 3.500 . 4.000 2.733 2.710 2.761 . 0 0 "[ . ]" 1
275 1 22 ILE HA 1 22 ILE MD 3.500 . 4.000 3.413 3.254 3.481 . 0 0 "[ . ]" 1
276 1 22 ILE HB 1 22 ILE MD 3.000 . 3.500 2.836 2.781 2.937 . 0 0 "[ . ]" 1
277 1 10 CYS HA 1 22 ILE MG 4.500 . 5.000 4.637 4.427 4.788 . 0 0 "[ . ]" 1
278 1 22 ILE MG 1 54 ARG QB 3.000 . 3.500 3.323 3.104 3.553 0.053 6 0 "[ . ]" 1
279 1 9 VAL HB 1 22 ILE MG 3.500 . 4.000 3.669 3.629 3.725 . 0 0 "[ . ]" 1
280 1 22 ILE MG 1 23 PRO HA 4.500 . 5.000 4.621 4.571 4.656 . 0 0 "[ . ]" 1
281 1 22 ILE QG 1 22 ILE MG 3.000 . 3.500 2.591 2.570 2.625 . 0 0 "[ . ]" 1
282 1 22 ILE MD 1 22 ILE MG 3.000 . 3.500 1.702 1.692 1.718 0.108 3 0 "[ . ]" 1
283 1 11 GLU QB 1 22 ILE MD 3.500 . 4.000 2.386 1.921 2.863 . 0 0 "[ . ]" 1
284 1 9 VAL HB 1 22 ILE MD 4.500 . 5.000 1.906 1.876 1.954 . 0 0 "[ . ]" 1
285 1 81 ILE HA 1 81 ILE MG 3.500 . 4.000 2.498 2.367 3.196 . 0 0 "[ . ]" 1
286 1 81 ILE HA 1 81 ILE MD 4.500 . 5.000 3.514 1.928 3.813 . 0 0 "[ . ]" 1
287 1 81 ILE HB 1 81 ILE MD 3.000 . 3.500 2.367 1.975 3.204 . 0 0 "[ . ]" 1
288 1 81 ILE MD 1 81 ILE MG 3.000 . 3.500 2.021 1.853 2.610 . 0 0 "[ . ]" 1
289 1 19 CYS QB 1 81 ILE MG 3.500 . 4.000 3.911 3.407 4.043 0.043 8 0 "[ . ]" 1
290 1 19 CYS QB 1 81 ILE MD 3.500 . 4.000 3.973 3.679 4.034 0.034 6 0 "[ . ]" 1
291 1 64 ILE HA 1 64 ILE MG 3.000 . 3.500 2.339 2.221 2.395 . 0 0 "[ . ]" 1
292 1 64 ILE HA 1 64 ILE MD 3.500 . 4.000 3.866 3.842 3.883 . 0 0 "[ . ]" 1
293 1 64 ILE HB 1 64 ILE MD 3.000 . 3.500 2.256 2.183 2.346 . 0 0 "[ . ]" 1
294 1 64 ILE MD 1 64 ILE MG 3.000 . 3.500 1.984 1.788 2.109 0.012 1 0 "[ . ]" 1
295 1 64 ILE MG 1 67 GLU HA 4.500 . 5.000 3.840 3.693 4.068 . 0 0 "[ . ]" 1
296 1 64 ILE MG 1 67 GLU QB 3.500 . 4.000 2.033 1.893 2.280 . 0 0 "[ . ]" 1
297 1 64 ILE MD 1 67 GLU QB 3.500 . 4.000 2.549 2.361 2.712 . 0 0 "[ . ]" 1
298 1 68 THR HA 1 86 PHE QB 4.500 . 5.000 3.458 1.969 4.256 . 0 0 "[ . ]" 1
299 1 68 THR HA 1 68 THR MG 3.000 . 3.500 2.079 1.961 2.254 . 0 0 "[ . ]" 1
300 1 68 THR MG 1 91 ARG HA 4.500 . 5.000 3.522 2.871 3.831 . 0 0 "[ . ]" 1
301 1 68 THR MG 1 91 ARG QB 4.500 . 5.000 4.693 4.171 5.001 0.001 3 0 "[ . ]" 1
302 1 68 THR MG 1 91 ARG QG 3.500 . 4.000 3.845 3.549 4.015 0.015 3 0 "[ . ]" 1
303 1 68 THR MG 1 91 ARG QD 4.500 . 5.000 5.056 5.020 5.115 0.115 6 0 "[ . ]" 1
304 1 68 THR MG 1 85 VAL HA 4.500 . 5.000 2.952 2.662 3.252 . 0 0 "[ . ]" 1
305 1 68 THR MG 1 86 PHE HA 4.500 . 5.000 2.231 1.925 3.034 . 0 0 "[ . ]" 1
306 1 68 THR MG 1 86 PHE QD 4.500 . 5.000 2.987 2.391 3.723 . 0 0 "[ . ]" 1
307 1 20 THR HA 1 20 THR MG 3.000 . 3.500 2.191 2.080 2.294 . 0 0 "[ . ]" 1
308 1 20 THR HA 1 21 PRO QG 5.500 . 6.000 4.074 4.016 4.131 . 0 0 "[ . ]" 1
309 1 20 THR HA 1 21 PRO QD 3.000 . 3.500 2.148 2.094 2.207 . 0 0 "[ . ]" 1
310 1 64 ILE HB 1 67 GLU HA 5.500 . 6.000 4.963 4.886 5.073 . 0 0 "[ . ]" 1
311 1 64 ILE MD 1 67 GLU HA 4.500 . 5.000 4.920 4.768 5.015 0.015 1 0 "[ . ]" 1
312 1 64 ILE HB 1 67 GLU QG 3.500 . 4.000 3.450 3.253 3.998 . 0 0 "[ . ]" 1
313 1 64 ILE MG 1 67 GLU QG 3.000 . 3.500 2.027 1.786 2.706 0.014 1 0 "[ . ]" 1
314 1 64 ILE MD 1 67 GLU QG 3.500 . 4.000 2.313 2.079 2.627 . 0 0 "[ . ]" 1
315 1 67 GLU HA 1 67 GLU QG 3.000 . 3.500 2.420 2.199 2.812 . 0 0 "[ . ]" 1
316 1 58 PRO HA 1 58 PRO QD 3.500 . 4.000 3.256 3.216 3.294 . 0 0 "[ . ]" 1
317 1 1 THR HB 1 32 PRO QG 4.500 . 5.000 2.733 1.971 4.040 . 0 0 "[ . ]" 1
318 1 1 THR HA 1 32 PRO QD 5.500 . 6.000 4.639 4.224 4.935 . 0 0 "[ . ]" 1
319 1 2 VAL HA 1 32 PRO QD 4.500 . 5.000 3.232 2.586 3.651 . 0 0 "[ . ]" 1
320 1 1 THR HB 1 32 PRO QD 4.500 . 5.000 3.434 2.857 4.016 . 0 0 "[ . ]" 1
321 1 1 THR MG 1 32 PRO QD 4.500 . 5.000 4.282 3.856 4.735 . 0 0 "[ . ]" 1
322 1 2 VAL QG 1 32 PRO QD 4.500 . 5.000 3.110 1.928 4.514 . 0 0 "[ . ]" 1
323 1 31 LYS QB 1 32 PRO QD 3.000 . 3.500 3.070 2.215 3.530 0.030 5 0 "[ . ]" 1
324 1 32 PRO QB 1 32 PRO QD 3.000 . 3.500 2.983 2.952 3.004 . 0 0 "[ . ]" 1
325 1 20 THR HB 1 21 PRO QD 4.500 . 5.000 2.049 1.945 2.164 . 0 0 "[ . ]" 1
326 1 20 THR MG 1 21 PRO QD 3.000 . 3.500 2.758 2.393 3.138 . 0 0 "[ . ]" 1
327 1 47 PRO QD 1 57 ASP HA 3.000 . 3.500 2.087 1.939 2.221 . 0 0 "[ . ]" 1
328 1 47 PRO QD 1 58 PRO QB 3.000 . 3.500 3.319 3.096 3.508 0.008 8 0 "[ . ]" 1
329 1 71 VAL HB 1 83 ALA MB 3.500 . 4.000 2.391 1.942 3.706 . 0 0 "[ . ]" 1
330 1 71 VAL QG 1 83 ALA MB 3.000 . 3.500 2.779 1.815 3.302 . 0 0 "[ . ]" 1
331 1 73 ILE HA 1 73 ILE MD 3.000 . 3.500 3.147 2.013 3.604 0.104 5 0 "[ . ]" 1
332 1 71 VAL HA 1 71 VAL QG 3.000 . 3.500 2.104 2.034 2.199 . 0 0 "[ . ]" 1
333 1 71 VAL HA 1 72 PRO QD 3.000 . 3.500 1.979 1.947 2.010 . 0 0 "[ . ]" 1
334 1 71 VAL QG 1 72 PRO QD 3.500 . 4.000 2.688 1.913 3.404 . 0 0 "[ . ]" 1
335 1 69 MET QG 1 71 VAL QG 3.500 . 4.000 3.206 2.252 4.062 0.062 4 0 "[ . ]" 1
336 1 71 VAL HB 1 72 PRO QD 4.500 . 5.000 4.197 3.913 4.389 . 0 0 "[ . ]" 1
337 1 69 MET HA 1 69 MET QG 3.000 . 3.500 2.415 2.069 2.786 . 0 0 "[ . ]" 1
338 1 80 ARG HA 1 80 ARG QD 3.500 . 4.000 3.402 2.515 4.028 0.028 2 0 "[ . ]" 1
339 1 59 ILE MG 1 92 TYR QE 4.500 . 5.000 2.361 2.141 2.522 . 0 0 "[ . ]" 1
340 1 59 ILE MD 1 92 TYR QE 4.500 . 5.000 5.015 5.001 5.044 0.044 3 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 402
_Distance_constraint_stats_list.Viol_count 618
_Distance_constraint_stats_list.Viol_total 296.500
_Distance_constraint_stats_list.Viol_max 0.277
_Distance_constraint_stats_list.Viol_rms 0.0347
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0115
_Distance_constraint_stats_list.Viol_average_violations_only 0.0600
_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 1 THR 0.163 0.080 7 0 "[ . ]"
1 2 VAL 0.163 0.080 7 0 "[ . ]"
1 3 ILE 0.000 0.000 . 0 "[ . ]"
1 4 LYS 0.088 0.039 6 0 "[ . ]"
1 5 PHE 0.722 0.106 7 0 "[ . ]"
1 6 ARG 0.100 0.040 2 0 "[ . ]"
1 7 ALA 0.039 0.021 6 0 "[ . ]"
1 8 GLY 0.000 0.000 . 0 "[ . ]"
1 9 VAL 1.372 0.151 5 0 "[ . ]"
1 10 CYS 0.307 0.086 6 0 "[ . ]"
1 11 GLU 2.206 0.206 8 0 "[ . ]"
1 12 TYR 1.578 0.153 2 0 "[ . ]"
1 13 ASN 0.205 0.028 1 0 "[ . ]"
1 14 GLU 0.174 0.045 1 0 "[ . ]"
1 15 ASP 0.352 0.045 1 0 "[ . ]"
1 16 SER 0.053 0.018 5 0 "[ . ]"
1 17 ARG 0.273 0.026 7 0 "[ . ]"
1 18 LEU 0.092 0.024 5 0 "[ . ]"
1 19 CYS 0.000 0.000 . 0 "[ . ]"
1 20 THR 0.000 0.000 . 0 "[ . ]"
1 21 PRO 0.000 0.000 . 0 "[ . ]"
1 22 ILE 3.462 0.185 3 0 "[ . ]"
1 23 PRO 0.000 0.000 . 0 "[ . ]"
1 24 VAL 0.000 0.000 . 0 "[ . ]"
1 25 GLN 0.000 0.000 . 0 "[ . ]"
1 27 GLU 4.498 0.270 5 0 "[ . ]"
1 28 ILE 4.194 0.246 4 0 "[ . ]"
1 29 GLU 0.567 0.084 3 0 "[ . ]"
1 30 ILE 0.078 0.028 4 0 "[ . ]"
1 31 LYS 2.788 0.179 2 0 "[ . ]"
1 32 PRO 1.179 0.178 2 0 "[ . ]"
1 33 ASN 1.889 0.178 2 0 "[ . ]"
1 34 GLU 0.384 0.075 8 0 "[ . ]"
1 35 GLU 0.437 0.075 8 0 "[ . ]"
1 36 GLU 0.165 0.032 4 0 "[ . ]"
1 37 GLU 0.578 0.061 4 0 "[ . ]"
1 38 LEU 1.411 0.131 4 0 "[ . ]"
1 39 GLY 0.000 0.000 . 0 "[ . ]"
1 40 PHE 1.550 0.131 4 0 "[ . ]"
1 41 TRP 1.003 0.101 5 0 "[ . ]"
1 42 ASP 0.615 0.096 4 0 "[ . ]"
1 43 PHE 4.897 0.277 3 0 "[ . ]"
1 44 GLU 2.136 0.277 3 0 "[ . ]"
1 45 TRP 5.407 0.185 3 0 "[ . ]"
1 46 ARG 1.365 0.270 5 0 "[ . ]"
1 47 PRO 0.086 0.030 7 0 "[ . ]"
1 48 THR 2.321 0.223 6 0 "[ . ]"
1 49 GLU 3.370 0.223 6 0 "[ . ]"
1 50 LYS 0.069 0.037 2 0 "[ . ]"
1 51 PRO 0.000 0.000 . 0 "[ . ]"
1 52 VAL 0.317 0.059 6 0 "[ . ]"
1 53 GLY 0.179 0.059 6 0 "[ . ]"
1 54 ARG 0.689 0.216 7 0 "[ . ]"
1 55 GLU 0.457 0.216 7 0 "[ . ]"
1 56 LEU 0.093 0.048 5 0 "[ . ]"
1 57 ASP 0.232 0.076 5 0 "[ . ]"
1 58 PRO 0.000 0.000 . 0 "[ . ]"
1 59 ILE 1.540 0.134 3 0 "[ . ]"
1 60 SER 0.079 0.024 4 0 "[ . ]"
1 61 LEU 3.418 0.185 3 0 "[ . ]"
1 62 ILE 2.003 0.185 2 0 "[ . ]"
1 63 LEU 0.439 0.071 4 0 "[ . ]"
1 66 GLY 0.000 0.000 . 0 "[ . ]"
1 67 GLU 0.006 0.006 6 0 "[ . ]"
1 81 ILE 0.000 0.000 . 0 "[ . ]"
1 82 PHE 0.000 0.000 . 0 "[ . ]"
1 85 VAL 0.584 0.175 6 0 "[ . ]"
1 86 PHE 0.508 0.069 2 0 "[ . ]"
1 87 SER 0.589 0.069 2 0 "[ . ]"
1 89 ASN 0.527 0.104 5 0 "[ . ]"
1 90 GLU 0.612 0.104 5 0 "[ . ]"
1 91 ARG 0.523 0.175 6 0 "[ . ]"
1 92 TYR 0.265 0.089 3 0 "[ . ]"
1 93 PHE 0.000 0.000 . 0 "[ . ]"
1 94 PHE 0.069 0.027 6 0 "[ . ]"
1 95 TRP 0.005 0.005 7 0 "[ . ]"
1 96 LEU 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 39 GLY H 1 40 PHE H 2.500 . 3.000 2.607 2.567 2.665 . 0 0 "[ . ]" 2
2 1 38 LEU H 1 39 GLY H 2.500 . 3.000 2.065 1.923 2.184 . 0 0 "[ . ]" 2
3 1 37 GLU H 1 39 GLY H 4.000 . 4.500 3.117 2.910 3.207 . 0 0 "[ . ]" 2
4 1 8 GLY H 1 95 TRP H 3.000 . 3.500 3.156 2.961 3.370 . 0 0 "[ . ]" 2
5 1 48 THR H 1 49 GLU H 2.500 . 3.000 2.055 1.977 2.131 . 0 0 "[ . ]" 2
6 1 27 GLU H 1 48 THR H 4.000 . 4.500 3.314 3.187 3.437 . 0 0 "[ . ]" 2
7 1 48 THR H 1 48 THR HA 3.000 . 3.500 2.995 2.992 2.998 . 0 0 "[ . ]" 2
8 1 48 THR HA 1 49 GLU H 2.500 . 3.000 3.183 3.147 3.223 0.223 6 0 "[ . ]" 2
9 1 9 VAL H 1 45 TRP HE1 4.000 . 4.500 3.656 3.559 3.758 . 0 0 "[ . ]" 2
10 1 9 VAL H 1 95 TRP HE1 4.000 . 4.500 2.969 2.667 3.099 . 0 0 "[ . ]" 2
11 1 9 VAL HA 1 95 TRP H 4.000 . 4.500 3.837 3.648 3.910 . 0 0 "[ . ]" 2
12 1 9 VAL HA 1 10 CYS H 3.000 . 3.500 3.091 3.064 3.133 . 0 0 "[ . ]" 2
13 1 66 GLY H 1 67 GLU H 3.000 . 3.500 2.285 2.025 2.735 . 0 0 "[ . ]" 2
14 1 95 TRP H 1 95 TRP HE1 4.000 . 4.500 4.337 4.286 4.391 . 0 0 "[ . ]" 2
15 1 95 TRP HA 1 96 LEU H 4.000 . 4.500 2.383 2.275 2.547 . 0 0 "[ . ]" 2
16 1 95 TRP QB 1 96 LEU H 4.000 . 4.500 2.824 2.453 3.090 . 0 0 "[ . ]" 2
17 1 87 SER H 1 89 ASN H 4.000 . 4.500 3.573 3.083 4.095 . 0 0 "[ . ]" 2
18 1 87 SER H 1 90 GLU H 3.000 . 3.500 3.470 3.259 3.544 0.044 5 0 "[ . ]" 2
19 1 87 SER H 1 87 SER HA 3.000 . 3.500 2.954 2.885 2.999 . 0 0 "[ . ]" 2
20 1 87 SER H 1 87 SER QB 3.000 . 3.500 2.859 2.508 3.350 . 0 0 "[ . ]" 2
21 1 52 VAL H 1 53 GLY H 4.000 . 4.500 2.508 2.176 2.984 . 0 0 "[ . ]" 2
22 1 53 GLY H 1 54 ARG H 3.000 . 3.500 2.080 1.920 2.469 . 0 0 "[ . ]" 2
23 1 89 ASN H 1 90 GLU H 2.500 . 3.000 1.946 1.812 2.305 . 0 0 "[ . ]" 2
24 1 89 ASN H 1 89 ASN HA 3.000 . 3.500 2.953 2.914 3.002 . 0 0 "[ . ]" 2
25 1 89 ASN HA 1 90 GLU H 3.000 . 3.500 3.367 3.133 3.560 0.060 3 0 "[ . ]" 2
26 1 89 ASN H 1 89 ASN QB 3.000 . 3.500 2.708 2.396 3.241 . 0 0 "[ . ]" 2
27 1 89 ASN QB 1 90 GLU H 3.000 . 3.500 3.197 2.569 3.604 0.104 5 0 "[ . ]" 2
28 1 33 ASN H 1 40 PHE H 4.000 . 4.500 4.566 4.549 4.590 0.090 4 0 "[ . ]" 2
29 1 40 PHE H 1 41 TRP H 4.000 . 4.500 4.489 4.464 4.517 0.017 4 0 "[ . ]" 2
30 1 40 PHE H 1 40 PHE HA 3.000 . 3.500 2.946 2.888 2.970 . 0 0 "[ . ]" 2
31 1 40 PHE HA 1 41 TRP H 4.000 . 4.500 2.218 2.207 2.224 . 0 0 "[ . ]" 2
32 1 40 PHE H 1 40 PHE QB 2.500 . 3.000 2.159 2.099 2.282 . 0 0 "[ . ]" 2
33 1 33 ASN H 1 40 PHE QB 4.000 . 4.500 4.186 3.839 4.353 . 0 0 "[ . ]" 2
34 1 40 PHE QB 1 41 TRP H 3.000 . 3.500 3.494 3.420 3.526 0.026 2 0 "[ . ]" 2
35 1 40 PHE H 1 40 PHE QD 2.500 . 3.000 2.788 2.630 2.918 . 0 0 "[ . ]" 2
36 1 10 CYS HA 1 11 GLU H 3.000 . 3.500 2.234 2.227 2.240 . 0 0 "[ . ]" 2
37 1 10 CYS HA 1 22 ILE H 3.000 . 3.500 2.706 2.541 2.956 . 0 0 "[ . ]" 2
38 1 10 CYS H 1 10 CYS QB 2.500 . 3.000 2.707 2.662 2.758 . 0 0 "[ . ]" 2
39 1 38 LEU H 1 40 PHE H 3.000 . 3.500 3.555 3.519 3.631 0.131 4 0 "[ . ]" 2
40 1 37 GLU H 1 38 LEU H 3.000 . 3.500 2.115 1.958 2.208 . 0 0 "[ . ]" 2
41 1 38 LEU HA 1 40 PHE H 4.000 . 4.500 4.472 4.351 4.513 0.013 3 0 "[ . ]" 2
42 1 38 LEU H 1 38 LEU HA 2.500 . 3.000 2.998 2.992 3.004 0.004 2 0 "[ . ]" 2
43 1 38 LEU QB 1 39 GLY H 4.000 . 4.500 3.165 3.003 3.266 . 0 0 "[ . ]" 2
44 1 38 LEU QB 1 40 PHE H 4.000 . 4.500 2.526 2.356 2.613 . 0 0 "[ . ]" 2
45 1 38 LEU H 1 38 LEU QB 3.000 . 3.500 2.624 2.600 2.675 . 0 0 "[ . ]" 2
46 1 37 GLU H 1 38 LEU QB 4.000 . 4.500 4.463 4.271 4.561 0.061 4 0 "[ . ]" 2
47 1 17 ARG H 1 18 LEU H 2.500 . 3.000 3.009 2.997 3.024 0.024 5 0 "[ . ]" 2
48 1 13 ASN H 1 18 LEU H 3.000 . 3.500 2.520 2.341 2.616 . 0 0 "[ . ]" 2
49 1 18 LEU H 1 18 LEU HA 3.000 . 3.500 2.999 2.989 3.005 . 0 0 "[ . ]" 2
50 1 27 GLU H 1 49 GLU H 4.000 . 4.500 4.629 4.601 4.655 0.155 5 0 "[ . ]" 2
51 1 49 GLU H 1 50 LYS H 4.000 . 4.500 4.444 4.400 4.511 0.011 2 0 "[ . ]" 2
52 1 49 GLU H 1 49 GLU HA 2.500 . 3.000 2.984 2.978 2.997 . 0 0 "[ . ]" 2
53 1 49 GLU HA 1 50 LYS H 2.500 . 3.000 2.722 2.628 2.744 . 0 0 "[ . ]" 2
54 1 48 THR H 1 49 GLU QB 3.000 . 3.500 3.578 3.552 3.599 0.099 6 0 "[ . ]" 2
55 1 49 GLU H 1 49 GLU QB 2.500 . 3.000 2.433 2.220 2.510 . 0 0 "[ . ]" 2
56 1 49 GLU QB 1 50 LYS H 2.500 . 3.000 2.223 2.030 2.413 . 0 0 "[ . ]" 2
57 1 48 THR H 1 49 GLU QG 3.000 . 3.500 3.530 3.513 3.539 0.039 1 0 "[ . ]" 2
58 1 49 GLU H 1 49 GLU QG 2.500 . 3.000 2.327 2.047 3.009 0.009 1 0 "[ . ]" 2
59 1 49 GLU QG 1 50 LYS H 4.000 . 4.500 3.494 3.218 4.041 . 0 0 "[ . ]" 2
60 1 36 GLU H 1 37 GLU H 2.500 . 3.000 2.990 2.950 3.032 0.032 4 0 "[ . ]" 2
61 1 37 GLU H 1 37 GLU HA 2.500 . 3.000 2.992 2.984 3.000 0.000 3 0 "[ . ]" 2
62 1 37 GLU QB 1 38 LEU H 3.000 . 3.500 2.758 2.451 3.530 0.030 7 0 "[ . ]" 2
63 1 37 GLU H 1 37 GLU QB 2.500 . 3.000 2.689 2.569 3.006 0.006 3 0 "[ . ]" 2
64 1 37 GLU QG 1 38 LEU H 3.000 . 3.500 3.163 1.938 3.553 0.053 8 0 "[ . ]" 2
65 1 37 GLU H 1 37 GLU QG 2.500 . 3.000 2.044 1.886 2.141 . 0 0 "[ . ]" 2
66 1 93 PHE H 1 93 PHE QB 2.500 . 3.000 2.496 2.157 2.944 . 0 0 "[ . ]" 2
67 1 93 PHE H 1 93 PHE QD 2.500 . 3.000 2.628 2.455 2.990 . 0 0 "[ . ]" 2
68 1 5 PHE H 1 28 ILE H 2.500 . 3.000 2.985 2.809 3.050 0.050 1 0 "[ . ]" 2
69 1 5 PHE H 1 6 ARG H 4.000 . 4.500 4.426 4.397 4.481 . 0 0 "[ . ]" 2
70 1 5 PHE H 1 5 PHE HA 3.000 . 3.500 2.999 2.992 3.003 . 0 0 "[ . ]" 2
71 1 5 PHE HA 1 6 ARG H 3.000 . 3.500 2.604 2.219 2.679 . 0 0 "[ . ]" 2
72 1 5 PHE H 1 5 PHE QB 3.000 . 3.500 2.340 2.197 2.413 . 0 0 "[ . ]" 2
73 1 5 PHE QB 1 6 ARG H 3.000 . 3.500 2.408 2.232 3.417 . 0 0 "[ . ]" 2
74 1 5 PHE H 1 5 PHE QD 3.000 . 3.500 3.467 3.298 3.514 0.014 7 0 "[ . ]" 2
75 1 5 PHE QD 1 6 ARG H 4.000 . 4.500 3.073 2.697 3.777 . 0 0 "[ . ]" 2
76 1 4 LYS H 1 5 PHE QD 4.000 . 4.500 3.719 3.541 4.091 . 0 0 "[ . ]" 2
77 1 27 GLU H 1 46 ARG H 3.000 . 3.500 2.510 2.242 2.775 . 0 0 "[ . ]" 2
78 1 27 GLU H 1 45 TRP HE1 4.000 . 4.500 4.078 4.005 4.118 . 0 0 "[ . ]" 2
79 1 27 GLU HA 1 28 ILE H 3.000 . 3.500 2.279 2.127 2.371 . 0 0 "[ . ]" 2
80 1 7 ALA H 1 27 GLU HA 3.000 . 3.500 2.614 2.114 3.003 . 0 0 "[ . ]" 2
81 1 27 GLU H 1 27 GLU QB 3.000 . 3.500 2.579 2.408 2.757 . 0 0 "[ . ]" 2
82 1 27 GLU QB 1 28 ILE H 2.500 . 3.000 3.030 2.790 3.104 0.104 1 0 "[ . ]" 2
83 1 27 GLU QB 1 46 ARG H 5.000 . 5.500 4.274 3.344 4.843 . 0 0 "[ . ]" 2
84 1 27 GLU H 1 27 GLU QG 3.000 . 3.500 3.024 2.815 3.219 . 0 0 "[ . ]" 2
85 1 27 GLU QG 1 28 ILE H 3.000 . 3.500 3.007 2.408 3.746 0.246 4 0 "[ . ]" 2
86 1 27 GLU QG 1 46 ARG H 4.000 . 4.500 4.279 3.757 4.770 0.270 5 0 "[ . ]" 2
87 1 14 GLU H 1 15 ASP H 2.500 . 3.000 2.450 2.386 2.531 . 0 0 "[ . ]" 2
88 1 13 ASN H 1 15 ASP H 5.000 . 5.500 5.516 5.501 5.528 0.028 1 0 "[ . ]" 2
89 1 15 ASP H 1 16 SER H 2.500 . 3.000 2.670 2.593 2.755 . 0 0 "[ . ]" 2
90 1 15 ASP H 1 15 ASP HA 3.000 . 3.500 2.862 2.835 2.885 . 0 0 "[ . ]" 2
91 1 15 ASP HA 1 17 ARG H 4.000 . 4.500 4.502 4.466 4.526 0.026 7 0 "[ . ]" 2
92 1 15 ASP HA 1 16 SER H 4.000 . 4.500 3.543 3.529 3.557 . 0 0 "[ . ]" 2
93 1 15 ASP H 1 15 ASP QB 2.500 . 3.000 2.112 1.996 2.367 . 0 0 "[ . ]" 2
94 1 15 ASP QB 1 16 SER H 3.000 . 3.500 2.652 2.554 2.747 . 0 0 "[ . ]" 2
95 1 1 THR HA 1 2 VAL H 2.500 . 3.000 2.359 2.343 2.398 . 0 0 "[ . ]" 2
96 1 14 GLU H 1 17 ARG H 4.000 . 4.500 4.403 4.351 4.469 . 0 0 "[ . ]" 2
97 1 13 ASN H 1 17 ARG H 4.000 . 4.500 4.477 4.357 4.525 0.025 7 0 "[ . ]" 2
98 1 16 SER H 1 17 ARG H 2.500 . 3.000 1.997 1.961 2.041 . 0 0 "[ . ]" 2
99 1 17 ARG HA 1 18 LEU H 3.000 . 3.500 2.668 2.637 2.684 . 0 0 "[ . ]" 2
100 1 17 ARG H 1 17 ARG HA 2.500 . 3.000 2.362 2.358 2.365 . 0 0 "[ . ]" 2
101 1 17 ARG QB 1 18 LEU H 4.000 . 4.500 3.933 3.922 3.951 . 0 0 "[ . ]" 2
102 1 17 ARG H 1 17 ARG QB 3.000 . 3.500 2.951 2.877 3.011 . 0 0 "[ . ]" 2
103 1 16 SER H 1 17 ARG QB 4.000 . 4.500 4.493 4.449 4.518 0.018 5 0 "[ . ]" 2
104 1 17 ARG QG 1 18 LEU H 4.000 . 4.500 4.437 4.351 4.519 0.019 5 0 "[ . ]" 2
105 1 17 ARG H 1 17 ARG QG 3.000 . 3.500 3.214 2.947 3.510 0.010 8 0 "[ . ]" 2
106 1 17 ARG QD 1 18 LEU H 6.000 . 6.500 5.654 4.892 5.984 . 0 0 "[ . ]" 2
107 1 17 ARG H 1 17 ARG QD 4.000 . 4.500 4.063 2.615 4.505 0.005 5 0 "[ . ]" 2
108 1 67 GLU H 1 67 GLU HA 3.000 . 3.500 2.896 2.849 2.997 . 0 0 "[ . ]" 2
109 1 67 GLU H 1 67 GLU QB 3.000 . 3.500 2.120 1.953 2.551 . 0 0 "[ . ]" 2
110 1 67 GLU H 1 67 GLU QG 3.000 . 3.500 2.878 2.450 3.506 0.006 6 0 "[ . ]" 2
111 1 92 TYR HA 1 93 PHE H 3.000 . 3.500 2.340 2.237 2.405 . 0 0 "[ . ]" 2
112 1 92 TYR H 1 92 TYR HA 3.000 . 3.500 2.996 2.980 3.002 . 0 0 "[ . ]" 2
113 1 92 TYR H 1 92 TYR QB 3.000 . 3.500 2.335 2.221 2.481 . 0 0 "[ . ]" 2
114 1 92 TYR H 1 92 TYR QD 3.000 . 3.500 2.229 2.172 2.337 . 0 0 "[ . ]" 2
115 1 92 TYR H 1 92 TYR QE 4.000 . 4.500 4.533 4.510 4.589 0.089 3 0 "[ . ]" 2
116 1 34 GLU H 1 35 GLU H 2.500 . 3.000 2.832 2.511 3.026 0.026 3 0 "[ . ]" 2
117 1 35 GLU H 1 35 GLU HA 2.500 . 3.000 2.993 2.975 3.003 0.003 3 0 "[ . ]" 2
118 1 35 GLU HA 1 36 GLU H 2.500 . 3.000 2.900 2.547 3.023 0.023 7 0 "[ . ]" 2
119 1 35 GLU H 1 35 GLU QB 2.500 . 3.000 2.561 2.400 2.690 . 0 0 "[ . ]" 2
120 1 35 GLU H 1 35 GLU QG 2.500 . 3.000 2.931 2.798 3.012 0.012 4 0 "[ . ]" 2
121 1 91 ARG HA 1 92 TYR H 3.000 . 3.500 2.225 2.214 2.237 . 0 0 "[ . ]" 2
122 1 91 ARG H 1 91 ARG QB 3.000 . 3.500 2.389 2.281 2.637 . 0 0 "[ . ]" 2
123 1 91 ARG H 1 91 ARG QG 2.500 . 3.000 2.583 2.076 3.043 0.043 4 0 "[ . ]" 2
124 1 91 ARG H 1 91 ARG QD 4.000 . 4.500 3.043 1.937 4.125 . 0 0 "[ . ]" 2
125 1 33 ASN H 1 42 ASP H 4.000 . 4.500 2.640 2.044 3.133 . 0 0 "[ . ]" 2
126 1 33 ASN H 1 33 ASN HA 3.000 . 3.500 2.363 2.360 2.366 . 0 0 "[ . ]" 2
127 1 33 ASN HA 1 34 GLU H 2.500 . 3.000 2.486 2.263 2.936 . 0 0 "[ . ]" 2
128 1 33 ASN QB 1 40 PHE H 4.000 . 4.500 2.294 2.039 2.672 . 0 0 "[ . ]" 2
129 1 33 ASN H 1 33 ASN QB 2.500 . 3.000 2.910 2.803 2.948 . 0 0 "[ . ]" 2
130 1 33 ASN QB 1 34 GLU H 3.000 . 3.500 3.080 2.029 3.492 . 0 0 "[ . ]" 2
131 1 36 GLU H 1 36 GLU HA 2.500 . 3.000 2.524 2.364 3.002 0.002 2 0 "[ . ]" 2
132 1 36 GLU H 1 36 GLU QB 2.500 . 3.000 2.928 2.471 3.012 0.012 7 0 "[ . ]" 2
133 1 36 GLU H 1 36 GLU QG 2.500 . 3.000 2.812 1.995 3.021 0.021 6 0 "[ . ]" 2
134 1 57 ASP H 1 57 ASP QB 2.500 . 3.000 2.754 2.529 3.076 0.076 5 0 "[ . ]" 2
135 1 54 ARG H 1 55 GLU H 3.500 . 4.000 4.048 4.000 4.216 0.216 7 0 "[ . ]" 2
136 1 55 GLU H 1 55 GLU HA 3.000 . 3.500 2.919 2.814 2.961 . 0 0 "[ . ]" 2
137 1 55 GLU HA 1 56 LEU H 2.500 . 3.000 2.232 2.208 2.294 . 0 0 "[ . ]" 2
138 1 55 GLU H 1 55 GLU QB 2.500 . 3.000 2.339 2.086 3.075 0.075 7 0 "[ . ]" 2
139 1 55 GLU H 1 55 GLU QG 2.500 . 3.000 2.480 1.932 2.981 . 0 0 "[ . ]" 2
140 1 52 VAL H 1 54 ARG H 4.000 . 4.500 3.074 2.360 4.550 0.050 6 0 "[ . ]" 2
141 1 52 VAL HA 1 53 GLY H 2.500 . 3.000 2.956 2.772 3.018 0.018 5 0 "[ . ]" 2
142 1 62 ILE H 1 63 LEU H 5.000 . 5.500 4.509 4.485 4.535 . 0 0 "[ . ]" 2
143 1 43 PHE H 1 62 ILE HA 4.000 . 4.500 3.289 3.112 3.636 . 0 0 "[ . ]" 2
144 1 62 ILE HA 1 63 LEU H 4.000 . 4.500 2.315 2.254 2.382 . 0 0 "[ . ]" 2
145 1 54 ARG HA 1 55 GLU H 2.500 . 3.000 2.328 2.208 2.836 . 0 0 "[ . ]" 2
146 1 54 ARG H 1 54 ARG QB 2.500 . 3.000 2.515 2.364 3.008 0.008 6 0 "[ . ]" 2
147 1 54 ARG H 1 54 ARG QG 2.500 . 3.000 2.992 2.801 3.046 0.046 6 0 "[ . ]" 2
148 1 54 ARG QD 1 55 GLU H 4.000 . 4.500 3.983 2.849 4.368 . 0 0 "[ . ]" 2
149 1 54 ARG H 1 54 ARG QD 4.000 . 4.500 4.412 3.894 4.547 0.047 2 0 "[ . ]" 2
150 1 90 GLU HA 1 91 ARG H 2.500 . 3.000 2.753 2.374 2.934 . 0 0 "[ . ]" 2
151 1 90 GLU H 1 90 GLU HA 3.000 . 3.500 2.986 2.959 3.002 . 0 0 "[ . ]" 2
152 1 89 ASN H 1 90 GLU QB 4.000 . 4.500 3.980 3.578 4.534 0.034 6 0 "[ . ]" 2
153 1 90 GLU QB 1 91 ARG H 4.000 . 4.500 3.958 3.800 4.074 . 0 0 "[ . ]" 2
154 1 90 GLU H 1 90 GLU QB 3.000 . 3.500 2.542 2.167 2.865 . 0 0 "[ . ]" 2
155 1 89 ASN H 1 90 GLU QG 4.000 . 4.500 3.473 2.841 4.471 . 0 0 "[ . ]" 2
156 1 90 GLU H 1 90 GLU QG 2.500 . 3.000 2.385 1.945 3.005 0.005 2 0 "[ . ]" 2
157 1 2 VAL H 1 2 VAL HA 3.000 . 3.500 2.965 2.910 3.003 . 0 0 "[ . ]" 2
158 1 2 VAL HA 1 3 ILE H 4.000 . 4.500 2.468 2.386 2.671 . 0 0 "[ . ]" 2
159 1 41 TRP H 1 63 LEU H 4.000 . 4.500 4.319 4.122 4.530 0.030 5 0 "[ . ]" 2
160 1 41 TRP H 1 41 TRP HE1 5.000 . 5.500 4.740 4.337 5.287 . 0 0 "[ . ]" 2
161 1 33 ASN H 1 41 TRP HA 3.000 . 3.500 3.491 3.244 3.543 0.043 5 0 "[ . ]" 2
162 1 41 TRP HA 1 42 ASP H 4.000 . 4.500 2.474 2.407 2.546 . 0 0 "[ . ]" 2
163 1 41 TRP H 1 41 TRP QB 3.000 . 3.500 2.346 2.173 2.460 . 0 0 "[ . ]" 2
164 1 31 LYS H 1 41 TRP QB 3.000 . 3.500 3.583 3.564 3.601 0.101 5 0 "[ . ]" 2
165 1 41 TRP QB 1 42 ASP H 4.000 . 4.500 3.896 3.863 3.914 . 0 0 "[ . ]" 2
166 1 31 LYS H 1 42 ASP H 3.000 . 3.500 3.510 3.493 3.519 0.019 2 0 "[ . ]" 2
167 1 31 LYS H 1 31 LYS QB 3.000 . 3.500 2.404 2.303 2.506 . 0 0 "[ . ]" 2
168 1 31 LYS QB 1 43 PHE H 4.000 . 4.500 4.610 4.568 4.641 0.141 3 0 "[ . ]" 2
169 1 31 LYS QB 1 42 ASP H 5.000 . 5.500 3.222 2.872 3.547 . 0 0 "[ . ]" 2
170 1 31 LYS H 1 31 LYS QG 3.000 . 3.500 3.309 2.957 3.679 0.179 2 0 "[ . ]" 2
171 1 31 LYS QG 1 43 PHE H 5.000 . 5.500 5.485 5.383 5.556 0.056 5 0 "[ . ]" 2
172 1 31 LYS QG 1 42 ASP H 5.000 . 5.500 3.765 2.412 5.024 . 0 0 "[ . ]" 2
173 1 31 LYS H 1 31 LYS QD 4.000 . 4.500 4.464 4.303 4.548 0.048 8 0 "[ . ]" 2
174 1 43 PHE H 1 61 LEU H 3.000 . 3.500 3.295 3.197 3.383 . 0 0 "[ . ]" 2
175 1 31 LYS H 1 43 PHE HA 4.000 . 4.500 3.661 3.594 3.735 . 0 0 "[ . ]" 2
176 1 43 PHE H 1 43 PHE HA 3.000 . 3.500 2.990 2.986 2.993 . 0 0 "[ . ]" 2
177 1 43 PHE HA 1 44 GLU H 3.000 . 3.500 2.192 2.187 2.197 . 0 0 "[ . ]" 2
178 1 43 PHE H 1 43 PHE QB 2.500 . 3.000 2.201 2.172 2.244 . 0 0 "[ . ]" 2
179 1 43 PHE QB 1 61 LEU H 3.000 . 3.500 3.553 3.522 3.575 0.075 4 0 "[ . ]" 2
180 1 43 PHE QB 1 44 GLU H 4.000 . 4.500 3.714 3.702 3.722 . 0 0 "[ . ]" 2
181 1 31 LYS H 1 43 PHE QD 4.000 . 4.500 2.680 2.526 2.830 . 0 0 "[ . ]" 2
182 1 43 PHE H 1 43 PHE QD 3.000 . 3.500 3.317 3.244 3.376 . 0 0 "[ . ]" 2
183 1 43 PHE QD 1 44 GLU H 3.000 . 3.500 3.756 3.740 3.777 0.277 3 0 "[ . ]" 2
184 1 31 LYS H 1 43 PHE QE 3.000 . 3.500 3.241 2.968 3.509 0.009 2 0 "[ . ]" 2
185 1 85 VAL HA 1 86 PHE H 4.000 . 4.500 2.235 2.194 2.337 . 0 0 "[ . ]" 2
186 1 50 LYS H 1 50 LYS HA 3.000 . 3.500 2.967 2.936 2.983 . 0 0 "[ . ]" 2
187 1 50 LYS H 1 50 LYS QB 2.500 . 3.000 2.570 2.352 2.720 . 0 0 "[ . ]" 2
188 1 50 LYS H 1 50 LYS QG 3.000 . 3.500 2.082 1.879 2.914 . 0 0 "[ . ]" 2
189 1 50 LYS H 1 50 LYS QD 2.500 . 3.000 2.569 2.067 3.037 0.037 2 0 "[ . ]" 2
190 1 28 ILE H 1 28 ILE HA 3.000 . 3.500 2.978 2.974 2.983 . 0 0 "[ . ]" 2
191 1 28 ILE HA 1 29 GLU H 3.000 . 3.500 2.467 2.415 2.541 . 0 0 "[ . ]" 2
192 1 28 ILE HA 1 46 ARG H 4.000 . 4.500 4.168 4.011 4.369 . 0 0 "[ . ]" 2
193 1 11 GLU H 1 22 ILE H 4.000 . 4.500 3.227 2.999 3.459 . 0 0 "[ . ]" 2
194 1 11 GLU H 1 11 GLU HA 2.500 . 3.000 2.912 2.904 2.922 . 0 0 "[ . ]" 2
195 1 11 GLU HA 1 12 TYR H 2.500 . 3.000 2.314 2.192 2.379 . 0 0 "[ . ]" 2
196 1 11 GLU H 1 11 GLU QB 2.500 . 3.000 2.164 1.948 2.529 . 0 0 "[ . ]" 2
197 1 11 GLU H 1 11 GLU QG 2.500 . 3.000 2.719 1.884 3.206 0.206 8 0 "[ . ]" 2
198 1 12 TYR H 1 13 ASN H 4.000 . 4.500 4.451 4.357 4.527 0.027 3 0 "[ . ]" 2
199 1 12 TYR H 1 12 TYR HA 3.000 . 3.500 2.993 2.980 3.000 . 0 0 "[ . ]" 2
200 1 12 TYR HA 1 13 ASN H 3.000 . 3.500 2.301 2.261 2.372 . 0 0 "[ . ]" 2
201 1 12 TYR H 1 12 TYR QB 2.500 . 3.000 2.368 2.242 2.508 . 0 0 "[ . ]" 2
202 1 12 TYR H 1 12 TYR QD 3.000 . 3.500 3.557 3.517 3.580 0.080 7 0 "[ . ]" 2
203 1 12 TYR QD 1 13 ASN H 3.000 . 3.500 3.266 2.942 3.439 . 0 0 "[ . ]" 2
204 1 13 ASN H 1 14 GLU H 4.000 . 4.500 4.426 4.340 4.503 0.003 8 0 "[ . ]" 2
205 1 14 GLU H 1 16 SER H 4.000 . 4.500 4.254 4.162 4.310 . 0 0 "[ . ]" 2
206 1 14 GLU HA 1 15 ASP H 3.000 . 3.500 3.503 3.494 3.513 0.013 2 0 "[ . ]" 2
207 1 14 GLU H 1 14 GLU HA 3.000 . 3.500 2.921 2.900 2.937 . 0 0 "[ . ]" 2
208 1 14 GLU QB 1 15 ASP H 3.000 . 3.500 3.099 2.800 3.545 0.045 1 0 "[ . ]" 2
209 1 14 GLU H 1 14 GLU QB 2.500 . 3.000 2.278 1.991 2.500 . 0 0 "[ . ]" 2
210 1 14 GLU QG 1 15 ASP H 4.000 . 4.500 3.440 1.953 4.443 . 0 0 "[ . ]" 2
211 1 14 GLU H 1 14 GLU QG 2.500 . 3.000 2.383 1.897 3.004 0.004 2 0 "[ . ]" 2
212 1 8 GLY H 1 96 LEU HA 5.000 . 5.500 3.854 3.760 3.994 . 0 0 "[ . ]" 2
213 1 45 TRP H 1 59 ILE H 3.000 . 3.500 2.589 2.373 2.790 . 0 0 "[ . ]" 2
214 1 27 GLU H 1 45 TRP HA 4.000 . 4.500 4.105 3.975 4.257 . 0 0 "[ . ]" 2
215 1 45 TRP HA 1 46 ARG H 3.000 . 3.500 2.498 2.415 2.556 . 0 0 "[ . ]" 2
216 1 45 TRP H 1 45 TRP QB 3.000 . 3.500 2.192 2.169 2.218 . 0 0 "[ . ]" 2
217 1 45 TRP QB 1 59 ILE H 3.000 . 3.500 1.926 1.806 2.232 . 0 0 "[ . ]" 2
218 1 45 TRP H 1 45 TRP HE3 4.000 . 4.500 4.580 4.543 4.616 0.116 3 0 "[ . ]" 2
219 1 45 TRP HE3 1 59 ILE H 3.000 . 3.500 2.641 2.559 2.830 . 0 0 "[ . ]" 2
220 1 6 ARG H 1 7 ALA H 4.000 . 4.500 4.414 4.204 4.521 0.021 6 0 "[ . ]" 2
221 1 6 ARG HA 1 7 ALA H 3.000 . 3.500 2.229 2.203 2.300 . 0 0 "[ . ]" 2
222 1 6 ARG H 1 6 ARG QB 3.000 . 3.500 2.402 2.277 2.521 . 0 0 "[ . ]" 2
223 1 6 ARG QB 1 7 ALA H 4.000 . 4.500 3.263 2.892 3.540 . 0 0 "[ . ]" 2
224 1 6 ARG H 1 6 ARG QG 3.000 . 3.500 3.014 2.323 3.508 0.008 6 0 "[ . ]" 2
225 1 6 ARG QG 1 7 ALA H 4.000 . 4.500 4.231 3.918 4.480 . 0 0 "[ . ]" 2
226 1 6 ARG H 1 6 ARG QD 4.000 . 4.500 3.679 2.346 4.540 0.040 2 0 "[ . ]" 2
227 1 59 ILE HA 1 60 SER H 2.500 . 3.000 2.243 2.234 2.254 . 0 0 "[ . ]" 2
228 1 61 LEU HA 1 62 ILE H 2.500 . 3.000 2.289 2.259 2.350 . 0 0 "[ . ]" 2
229 1 61 LEU H 1 61 LEU HA 3.000 . 3.500 2.992 2.987 2.998 . 0 0 "[ . ]" 2
230 1 61 LEU QB 1 62 ILE H 2.500 . 3.000 2.954 2.810 3.018 0.018 3 0 "[ . ]" 2
231 1 43 PHE H 1 61 LEU QB 4.000 . 4.500 2.782 2.608 2.885 . 0 0 "[ . ]" 2
232 1 61 LEU H 1 61 LEU QB 3.000 . 3.500 2.544 2.479 2.592 . 0 0 "[ . ]" 2
233 1 34 GLU HA 1 35 GLU H 3.000 . 3.500 3.542 3.501 3.575 0.075 8 0 "[ . ]" 2
234 1 34 GLU H 1 34 GLU QB 2.500 . 3.000 2.249 2.092 2.500 . 0 0 "[ . ]" 2
235 1 34 GLU H 1 34 GLU QG 2.500 . 3.000 2.300 1.900 2.660 . 0 0 "[ . ]" 2
236 1 29 GLU H 1 44 GLU H 3.000 . 3.500 2.410 2.201 2.575 . 0 0 "[ . ]" 2
237 1 5 PHE H 1 29 GLU HA 4.000 . 4.500 3.220 3.069 3.380 . 0 0 "[ . ]" 2
238 1 29 GLU H 1 29 GLU HA 3.000 . 3.500 2.990 2.976 3.000 . 0 0 "[ . ]" 2
239 1 29 GLU HA 1 30 ILE H 3.000 . 3.500 2.227 2.211 2.248 . 0 0 "[ . ]" 2
240 1 29 GLU H 1 29 GLU QB 3.000 . 3.500 2.484 2.339 2.580 . 0 0 "[ . ]" 2
241 1 29 GLU H 1 29 GLU QG 3.000 . 3.500 3.247 2.796 3.584 0.084 3 0 "[ . ]" 2
242 1 56 LEU HA 1 57 ASP H 2.500 . 3.000 2.771 2.690 2.860 . 0 0 "[ . ]" 2
243 1 56 LEU H 1 56 LEU HA 3.000 . 3.500 2.998 2.987 3.003 . 0 0 "[ . ]" 2
244 1 4 LYS HA 1 5 PHE H 3.000 . 3.500 2.264 2.215 2.375 . 0 0 "[ . ]" 2
245 1 4 LYS HA 1 30 ILE H 5.000 . 5.500 2.830 1.983 3.170 . 0 0 "[ . ]" 2
246 1 4 LYS QB 1 5 PHE H 3.000 . 3.500 3.293 2.799 3.514 0.014 8 0 "[ . ]" 2
247 1 4 LYS H 1 4 LYS QB 3.000 . 3.500 2.423 2.251 2.969 . 0 0 "[ . ]" 2
248 1 4 LYS QG 1 5 PHE H 3.000 . 3.500 3.325 2.829 3.539 0.039 6 0 "[ . ]" 2
249 1 4 LYS H 1 4 LYS QG 4.000 . 4.500 3.653 2.239 4.038 . 0 0 "[ . ]" 2
250 1 7 ALA H 1 45 TRP HE1 4.000 . 4.500 4.196 4.076 4.470 . 0 0 "[ . ]" 2
251 1 7 ALA H 1 7 ALA MB 2.500 . 3.000 2.677 2.500 2.778 . 0 0 "[ . ]" 2
252 1 24 VAL HA 1 25 GLN H 3.000 . 3.500 2.222 2.215 2.250 . 0 0 "[ . ]" 2
253 1 13 ASN HA 1 15 ASP H 4.000 . 4.500 3.782 3.656 3.906 . 0 0 "[ . ]" 2
254 1 13 ASN HA 1 14 GLU H 2.500 . 3.000 2.222 2.206 2.250 . 0 0 "[ . ]" 2
255 1 13 ASN HA 1 13 ASN QD 4.000 . 4.500 3.204 2.114 3.934 . 0 0 "[ . ]" 2
256 1 13 ASN QB 1 18 LEU H 3.000 . 3.500 2.938 2.574 3.231 . 0 0 "[ . ]" 2
257 1 13 ASN H 1 13 ASN QB 2.500 . 3.000 2.337 2.206 2.468 . 0 0 "[ . ]" 2
258 1 13 ASN QB 1 13 ASN QD 2.500 . 3.000 2.284 2.182 2.539 . 0 0 "[ . ]" 2
259 1 45 TRP HE1 1 46 ARG H 5.000 . 5.500 4.478 4.322 4.697 . 0 0 "[ . ]" 2
260 1 46 ARG HA 1 59 ILE H 4.000 . 4.500 3.696 3.490 3.884 . 0 0 "[ . ]" 2
261 1 27 GLU H 1 46 ARG QB 4.000 . 4.500 4.573 4.516 4.617 0.117 7 0 "[ . ]" 2
262 1 46 ARG H 1 46 ARG QB 3.000 . 3.500 3.168 3.003 3.428 . 0 0 "[ . ]" 2
263 1 27 GLU H 1 46 ARG QG 4.000 . 4.500 2.937 2.829 3.140 . 0 0 "[ . ]" 2
264 1 46 ARG H 1 46 ARG QG 3.000 . 3.500 2.634 2.369 2.819 . 0 0 "[ . ]" 2
265 1 44 GLU HA 1 45 TRP H 3.000 . 3.500 2.194 2.181 2.202 . 0 0 "[ . ]" 2
266 1 44 GLU HA 1 59 ILE H 4.000 . 4.500 4.443 4.231 4.520 0.020 4 0 "[ . ]" 2
267 1 44 GLU H 1 44 GLU HA 3.000 . 3.500 2.955 2.943 2.967 . 0 0 "[ . ]" 2
268 1 44 GLU H 1 44 GLU QB 2.500 . 3.000 2.097 2.001 2.186 . 0 0 "[ . ]" 2
269 1 44 GLU H 1 44 GLU QG 4.000 . 4.500 3.765 3.442 4.042 . 0 0 "[ . ]" 2
270 1 86 PHE HA 1 87 SER H 3.000 . 3.500 3.560 3.552 3.569 0.069 2 0 "[ . ]" 2
271 1 86 PHE QB 1 87 SER H 3.000 . 3.500 1.923 1.870 1.968 . 0 0 "[ . ]" 2
272 1 86 PHE QB 1 89 ASN H 4.000 . 4.500 4.142 3.864 4.530 0.030 2 0 "[ . ]" 2
273 1 86 PHE QB 1 90 GLU H 3.000 . 3.500 3.268 3.098 3.432 . 0 0 "[ . ]" 2
274 1 86 PHE QD 1 87 SER H 4.000 . 4.500 3.113 2.479 3.950 . 0 0 "[ . ]" 2
275 1 86 PHE H 1 86 PHE QD 4.000 . 4.500 3.972 3.284 4.235 . 0 0 "[ . ]" 2
276 1 22 ILE H 1 95 TRP HE1 3.000 . 3.500 2.977 2.846 3.164 . 0 0 "[ . ]" 2
277 1 42 ASP HA 1 43 PHE H 3.000 . 3.500 2.227 2.206 2.247 . 0 0 "[ . ]" 2
278 1 31 LYS H 1 42 ASP QB 3.000 . 3.500 3.566 3.512 3.596 0.096 4 0 "[ . ]" 2
279 1 42 ASP H 1 42 ASP QB 3.000 . 3.500 2.137 1.982 2.502 . 0 0 "[ . ]" 2
280 1 30 ILE HA 1 31 LYS H 3.000 . 3.500 2.239 2.215 2.253 . 0 0 "[ . ]" 2
281 1 30 ILE HA 1 44 GLU H 4.000 . 4.500 4.461 4.331 4.528 0.028 4 0 "[ . ]" 2
282 1 16 SER HA 1 18 LEU H 5.000 . 5.500 5.271 5.195 5.358 . 0 0 "[ . ]" 2
283 1 16 SER HA 1 17 ARG H 3.000 . 3.500 3.357 3.306 3.384 . 0 0 "[ . ]" 2
284 1 16 SER H 1 16 SER QB 2.500 . 3.000 2.485 2.274 2.838 . 0 0 "[ . ]" 2
285 1 3 ILE H 1 30 ILE H 4.000 . 4.500 3.657 3.213 4.051 . 0 0 "[ . ]" 2
286 1 3 ILE HA 1 4 LYS H 2.500 . 3.000 2.509 2.429 2.622 . 0 0 "[ . ]" 2
287 1 94 PHE HA 1 95 TRP H 4.000 . 4.500 2.433 2.375 2.492 . 0 0 "[ . ]" 2
288 1 10 CYS H 1 94 PHE HA 4.000 . 4.500 4.379 4.085 4.519 0.019 3 0 "[ . ]" 2
289 1 10 CYS H 1 94 PHE QD 4.000 . 4.500 4.415 4.170 4.527 0.027 6 0 "[ . ]" 2
290 1 94 PHE H 1 94 PHE QD 4.000 . 4.500 3.424 3.225 3.776 . 0 0 "[ . ]" 2
291 1 60 SER HA 1 61 LEU H 2.500 . 3.000 2.219 2.216 2.222 . 0 0 "[ . ]" 2
292 1 60 SER H 1 60 SER HA 3.000 . 3.500 2.894 2.891 2.898 . 0 0 "[ . ]" 2
293 1 60 SER QB 1 61 LEU H 3.000 . 3.500 3.505 3.474 3.524 0.024 4 0 "[ . ]" 2
294 1 60 SER H 1 60 SER QB 2.500 . 3.000 2.508 2.273 2.578 . 0 0 "[ . ]" 2
295 1 81 ILE HA 1 82 PHE H 4.000 . 4.500 2.251 2.205 2.391 . 0 0 "[ . ]" 2
296 1 81 ILE HA 1 96 LEU H 5.000 . 5.500 4.333 3.898 5.156 . 0 0 "[ . ]" 2
297 1 58 PRO HA 1 59 ILE H 3.000 . 3.500 2.187 2.163 2.223 . 0 0 "[ . ]" 2
298 1 47 PRO QD 1 57 ASP H 3.000 . 3.500 3.325 2.813 3.530 0.030 7 0 "[ . ]" 2
299 1 23 PRO HA 1 24 VAL H 4.000 . 4.500 3.200 2.741 3.523 . 0 0 "[ . ]" 2
300 1 21 PRO HA 1 22 ILE H 4.000 . 4.500 2.290 2.246 2.348 . 0 0 "[ . ]" 2
301 1 32 PRO QD 1 33 ASN H 3.000 . 3.500 3.647 3.603 3.678 0.178 2 0 "[ . ]" 2
302 1 50 LYS H 1 51 PRO QD 4.000 . 4.500 4.069 4.021 4.144 . 0 0 "[ . ]" 2
303 1 1 THR HB 1 2 VAL H 4.000 . 4.500 4.460 4.430 4.480 . 0 0 "[ . ]" 2
304 1 1 THR MG 1 2 VAL H 3.000 . 3.500 3.520 3.503 3.580 0.080 7 0 "[ . ]" 2
305 1 2 VAL H 1 2 VAL HB 2.500 . 3.000 2.430 2.350 2.563 . 0 0 "[ . ]" 2
306 1 2 VAL H 1 2 VAL QG 2.500 . 3.000 2.257 1.917 2.583 . 0 0 "[ . ]" 2
307 1 8 GLY QA 1 9 VAL H 3.000 . 3.500 2.250 2.217 2.290 . 0 0 "[ . ]" 2
308 1 9 VAL H 1 9 VAL HB 4.000 . 4.500 2.807 2.764 2.876 . 0 0 "[ . ]" 2
309 1 9 VAL HB 1 10 CYS H 3.000 . 3.500 1.934 1.900 1.970 . 0 0 "[ . ]" 2
310 1 9 VAL HB 1 11 GLU H 4.000 . 4.500 4.620 4.573 4.651 0.151 5 0 "[ . ]" 2
311 1 9 VAL HB 1 22 ILE H 5.000 . 5.500 4.312 4.193 4.463 . 0 0 "[ . ]" 2
312 1 9 VAL H 1 9 VAL QG 3.000 . 3.500 1.944 1.903 2.009 . 0 0 "[ . ]" 2
313 1 9 VAL QG 1 10 CYS H 3.000 . 3.500 1.988 1.910 2.065 . 0 0 "[ . ]" 2
314 1 9 VAL QG 1 22 ILE H 4.000 . 4.500 4.485 4.423 4.524 0.024 7 0 "[ . ]" 2
315 1 18 LEU H 1 18 LEU QD 3.000 . 3.500 3.096 2.010 3.494 . 0 0 "[ . ]" 2
316 1 17 ARG H 1 18 LEU QD 4.000 . 4.500 4.306 4.095 4.499 . 0 0 "[ . ]" 2
317 1 52 VAL HB 1 53 GLY H 4.000 . 4.500 4.319 4.001 4.559 0.059 6 0 "[ . ]" 2
318 1 52 VAL H 1 52 VAL HB 2.500 . 3.000 2.824 2.478 3.025 0.025 5 0 "[ . ]" 2
319 1 52 VAL H 1 52 VAL QG 2.500 . 3.000 2.492 1.944 3.039 0.039 6 0 "[ . ]" 2
320 1 53 GLY H 1 53 GLY QA 2.500 . 3.000 2.411 2.295 2.525 . 0 0 "[ . ]" 2
321 1 53 GLY QA 1 54 ARG H 2.500 . 3.000 2.836 2.541 2.951 . 0 0 "[ . ]" 2
322 1 56 LEU H 1 56 LEU QD 2.500 . 3.000 2.984 2.803 3.048 0.048 5 0 "[ . ]" 2
323 1 38 LEU HG 1 39 GLY H 4.000 . 4.500 4.026 3.964 4.096 . 0 0 "[ . ]" 2
324 1 38 LEU HG 1 40 PHE H 4.000 . 4.500 4.551 4.537 4.568 0.068 4 0 "[ . ]" 2
325 1 38 LEU H 1 38 LEU HG 3.000 . 3.500 2.157 2.060 2.283 . 0 0 "[ . ]" 2
326 1 37 GLU H 1 38 LEU HG 4.000 . 4.500 3.618 3.357 3.836 . 0 0 "[ . ]" 2
327 1 38 LEU QD 1 39 GLY H 4.000 . 4.500 4.109 4.088 4.142 . 0 0 "[ . ]" 2
328 1 38 LEU H 1 38 LEU QD 3.000 . 3.500 2.979 2.871 3.053 . 0 0 "[ . ]" 2
329 1 37 GLU H 1 38 LEU QD 4.000 . 4.500 4.127 3.921 4.252 . 0 0 "[ . ]" 2
330 1 39 GLY H 1 39 GLY QA 2.500 . 3.000 2.244 2.240 2.246 . 0 0 "[ . ]" 2
331 1 39 GLY QA 1 40 PHE H 2.500 . 3.000 2.837 2.819 2.846 . 0 0 "[ . ]" 2
332 1 9 VAL H 1 45 TRP HD1 5.000 . 5.500 5.539 5.517 5.558 0.058 5 0 "[ . ]" 2
333 1 27 GLU H 1 45 TRP HD1 4.000 . 4.500 4.609 4.560 4.636 0.136 7 0 "[ . ]" 2
334 1 28 ILE H 1 45 TRP HD1 4.000 . 4.500 4.553 4.490 4.602 0.102 5 0 "[ . ]" 2
335 1 45 TRP HD1 1 46 ARG H 4.000 . 4.500 4.069 3.937 4.232 . 0 0 "[ . ]" 2
336 1 28 ILE H 1 45 TRP HE1 5.000 . 5.500 5.533 5.450 5.590 0.090 4 0 "[ . ]" 2
337 1 9 VAL H 1 45 TRP HZ2 4.000 . 4.500 3.734 3.425 3.975 . 0 0 "[ . ]" 2
338 1 27 GLU H 1 45 TRP HZ2 4.000 . 4.500 4.486 4.428 4.552 0.052 5 0 "[ . ]" 2
339 1 48 THR H 1 48 THR MG 3.000 . 3.500 1.961 1.900 2.046 . 0 0 "[ . ]" 2
340 1 48 THR MG 1 49 GLU H 3.000 . 3.500 2.915 2.602 3.063 . 0 0 "[ . ]" 2
341 1 27 GLU H 1 48 THR MG 3.000 . 3.500 2.730 2.466 2.924 . 0 0 "[ . ]" 2
342 1 85 VAL H 1 85 VAL HB 3.000 . 3.500 2.794 2.347 3.614 0.114 1 0 "[ . ]" 2
343 1 85 VAL QG 1 91 ARG H 4.000 . 4.500 4.553 4.498 4.675 0.175 6 0 "[ . ]" 2
344 1 85 VAL H 1 85 VAL QG 3.000 . 3.500 2.401 1.839 2.723 . 0 0 "[ . ]" 2
345 1 22 ILE H 1 95 TRP HD1 4.000 . 4.500 3.891 3.603 4.106 . 0 0 "[ . ]" 2
346 1 22 ILE H 1 95 TRP HZ2 4.000 . 4.500 4.270 3.936 4.505 0.005 7 0 "[ . ]" 2
347 1 59 ILE H 1 59 ILE HB 2.500 . 3.000 2.538 2.519 2.570 . 0 0 "[ . ]" 2
348 1 45 TRP H 1 59 ILE MG 4.000 . 4.500 4.296 4.217 4.371 . 0 0 "[ . ]" 2
349 1 59 ILE H 1 59 ILE MG 4.000 . 4.500 3.819 3.810 3.829 . 0 0 "[ . ]" 2
350 1 45 TRP HE1 1 59 ILE MG 6.000 . 6.500 6.613 6.585 6.634 0.134 3 0 "[ . ]" 2
351 1 59 ILE H 1 59 ILE QG 4.000 . 4.500 2.924 2.744 3.113 . 0 0 "[ . ]" 2
352 1 45 TRP H 1 59 ILE MD 4.000 . 4.500 4.574 4.555 4.609 0.109 8 0 "[ . ]" 2
353 1 59 ILE H 1 59 ILE MD 3.000 . 3.500 3.162 3.058 3.277 . 0 0 "[ . ]" 2
354 1 45 TRP HE1 1 59 ILE MD 5.000 . 5.500 4.616 4.515 4.723 . 0 0 "[ . ]" 2
355 1 43 PHE H 1 61 LEU HG 4.000 . 4.500 4.625 4.574 4.669 0.169 7 0 "[ . ]" 2
356 1 61 LEU H 1 61 LEU HG 3.000 . 3.500 2.170 2.133 2.185 . 0 0 "[ . ]" 2
357 1 61 LEU QD 1 62 ILE H 3.000 . 3.500 3.581 3.555 3.614 0.114 7 0 "[ . ]" 2
358 1 43 PHE H 1 61 LEU QD 4.000 . 4.500 4.291 4.150 4.378 . 0 0 "[ . ]" 2
359 1 45 TRP H 1 61 LEU QD 4.000 . 4.500 3.392 3.260 3.692 . 0 0 "[ . ]" 2
360 1 59 ILE H 1 61 LEU QD 4.000 . 4.500 4.165 4.042 4.316 . 0 0 "[ . ]" 2
361 1 61 LEU H 1 61 LEU QD 3.000 . 3.500 3.023 2.970 3.070 . 0 0 "[ . ]" 2
362 1 45 TRP HE1 1 61 LEU QD 4.000 . 4.500 4.654 4.627 4.685 0.185 3 0 "[ . ]" 2
363 1 62 ILE H 1 62 ILE HB 2.500 . 3.000 2.325 2.268 2.396 . 0 0 "[ . ]" 2
364 1 62 ILE H 1 62 ILE MG 3.000 . 3.500 3.650 3.622 3.685 0.185 2 0 "[ . ]" 2
365 1 62 ILE H 1 62 ILE QG 2.500 . 3.000 3.001 2.943 3.040 0.040 6 0 "[ . ]" 2
366 1 28 ILE H 1 28 ILE HB 3.000 . 3.500 2.406 2.177 3.002 . 0 0 "[ . ]" 2
367 1 5 PHE H 1 28 ILE MG 4.000 . 4.500 3.680 3.076 4.471 . 0 0 "[ . ]" 2
368 1 28 ILE H 1 28 ILE MG 3.000 . 3.500 3.656 3.602 3.711 0.211 5 0 "[ . ]" 2
369 1 28 ILE MG 1 29 GLU H 3.000 . 3.500 1.921 1.839 2.258 . 0 0 "[ . ]" 2
370 1 5 PHE H 1 28 ILE MD 4.000 . 4.500 4.554 4.502 4.606 0.106 7 0 "[ . ]" 2
371 1 28 ILE H 1 28 ILE MD 3.000 . 3.500 2.756 2.142 3.574 0.074 8 0 "[ . ]" 2
372 1 28 ILE MD 1 29 GLU H 4.000 . 4.500 4.474 4.180 4.578 0.078 6 0 "[ . ]" 2
373 1 24 VAL H 1 24 VAL HB 4.000 . 4.500 2.617 2.349 3.335 . 0 0 "[ . ]" 2
374 1 24 VAL H 1 24 VAL QG 3.000 . 3.500 2.395 1.911 2.915 . 0 0 "[ . ]" 2
375 1 43 PHE H 1 63 LEU HG 3.000 . 3.500 3.551 3.534 3.571 0.071 4 0 "[ . ]" 2
376 1 63 LEU H 1 63 LEU HG 4.000 . 4.500 2.605 2.516 2.705 . 0 0 "[ . ]" 2
377 1 43 PHE H 1 63 LEU QD 4.000 . 4.500 3.606 3.506 3.687 . 0 0 "[ . ]" 2
378 1 63 LEU H 1 63 LEU QD 4.000 . 4.500 3.302 3.233 3.385 . 0 0 "[ . ]" 2
379 1 9 VAL H 1 22 ILE HB 5.000 . 5.500 3.291 3.151 3.370 . 0 0 "[ . ]" 2
380 1 22 ILE H 1 22 ILE HB 3.000 . 3.500 2.821 2.782 2.856 . 0 0 "[ . ]" 2
381 1 22 ILE HB 1 95 TRP HE1 4.000 . 4.500 3.642 3.426 3.843 . 0 0 "[ . ]" 2
382 1 9 VAL H 1 22 ILE MG 4.000 . 4.500 4.445 4.333 4.530 0.030 2 0 "[ . ]" 2
383 1 10 CYS H 1 22 ILE MG 4.000 . 4.500 4.530 4.503 4.586 0.086 6 0 "[ . ]" 2
384 1 11 GLU H 1 22 ILE MG 3.000 . 3.500 3.441 3.210 3.555 0.055 7 0 "[ . ]" 2
385 1 12 TYR H 1 22 ILE MG 5.000 . 5.500 5.606 5.558 5.653 0.153 2 0 "[ . ]" 2
386 1 22 ILE H 1 22 ILE MG 3.000 . 3.500 3.668 3.658 3.685 0.185 3 0 "[ . ]" 2
387 1 11 GLU H 1 22 ILE QG 2.500 . 3.000 1.777 1.754 1.791 0.046 7 0 "[ . ]" 2
388 1 22 ILE H 1 22 ILE QG 3.000 . 3.500 1.827 1.803 1.845 . 0 0 "[ . ]" 2
389 1 9 VAL H 1 22 ILE MD 5.000 . 5.500 3.758 3.654 3.829 . 0 0 "[ . ]" 2
390 1 11 GLU H 1 22 ILE MD 4.000 . 4.500 2.558 2.266 2.727 . 0 0 "[ . ]" 2
391 1 12 TYR H 1 22 ILE MD 4.000 . 4.500 4.478 4.197 4.561 0.061 4 0 "[ . ]" 2
392 1 22 ILE H 1 22 ILE MD 3.000 . 3.500 3.552 3.542 3.560 0.060 3 0 "[ . ]" 2
393 1 30 ILE H 1 30 ILE HB 3.000 . 3.500 2.287 2.191 2.569 . 0 0 "[ . ]" 2
394 1 30 ILE H 1 30 ILE MG 4.000 . 4.500 3.668 3.650 3.711 . 0 0 "[ . ]" 2
395 1 30 ILE H 1 30 ILE QG 4.000 . 4.500 2.914 1.781 3.312 0.019 5 0 "[ . ]" 2
396 1 66 GLY H 1 66 GLY QA 2.500 . 3.000 2.499 2.354 2.535 . 0 0 "[ . ]" 2
397 1 66 GLY QA 1 67 GLU H 3.000 . 3.500 2.738 2.585 2.952 . 0 0 "[ . ]" 2
398 1 81 ILE MG 1 82 PHE H 4.000 . 4.500 3.330 2.891 4.132 . 0 0 "[ . ]" 2
399 1 20 THR H 1 20 THR HB 4.000 . 4.500 3.601 3.473 3.810 . 0 0 "[ . ]" 2
400 1 20 THR H 1 20 THR MG 4.000 . 4.500 2.929 2.317 3.525 . 0 0 "[ . ]" 2
401 1 19 CYS HA 1 20 THR H 4.000 . 4.500 2.348 2.217 2.517 . 0 0 "[ . ]" 2
402 1 19 CYS QB 1 20 THR H 4.000 . 4.500 3.737 3.301 3.997 . 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 56
_Distance_constraint_stats_list.Viol_count 74
_Distance_constraint_stats_list.Viol_total 11.599
_Distance_constraint_stats_list.Viol_max 0.062
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0196
_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 3 ILE 0.251 0.062 6 0 "[ . ]"
1 5 PHE 0.151 0.035 2 0 "[ . ]"
1 8 GLY 0.157 0.028 4 0 "[ . ]"
1 11 GLU 0.021 0.012 1 0 "[ . ]"
1 13 ASN 0.310 0.037 4 0 "[ . ]"
1 18 LEU 0.310 0.037 4 0 "[ . ]"
1 20 THR 0.021 0.012 1 0 "[ . ]"
1 27 GLU 0.051 0.027 2 0 "[ . ]"
1 28 ILE 0.151 0.035 2 0 "[ . ]"
1 29 GLU 0.000 0.000 . 0 "[ . ]"
1 30 ILE 0.251 0.062 6 0 "[ . ]"
1 31 LYS 0.010 0.010 4 0 "[ . ]"
1 42 ASP 0.010 0.010 4 0 "[ . ]"
1 43 PHE 0.365 0.041 7 0 "[ . ]"
1 44 GLU 0.000 0.000 . 0 "[ . ]"
1 45 TRP 0.000 0.000 . 0 "[ . ]"
1 46 ARG 0.051 0.027 2 0 "[ . ]"
1 59 ILE 0.000 0.000 . 0 "[ . ]"
1 61 LEU 0.365 0.041 7 0 "[ . ]"
1 69 MET 0.075 0.044 4 0 "[ . ]"
1 71 VAL 0.040 0.017 7 0 "[ . ]"
1 82 PHE 0.001 0.001 5 0 "[ . ]"
1 83 ALA 0.040 0.017 7 0 "[ . ]"
1 84 LEU 0.019 0.012 7 0 "[ . ]"
1 85 VAL 0.075 0.044 4 0 "[ . ]"
1 92 TYR 0.019 0.012 7 0 "[ . ]"
1 94 PHE 0.001 0.001 5 0 "[ . ]"
1 95 TRP 0.157 0.028 4 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 8 GLY O 1 95 TRP H 2.150 . 2.500 2.125 2.020 2.264 . 0 0 "[ . ]" 3
2 1 8 GLY O 1 95 TRP N 2.900 2.500 3.300 3.065 2.949 3.215 . 0 0 "[ . ]" 3
3 1 8 GLY H 1 95 TRP O 2.150 . 2.500 2.520 2.513 2.528 0.028 4 0 "[ . ]" 3
4 1 8 GLY N 1 95 TRP O 2.900 2.500 3.300 3.067 2.930 3.217 . 0 0 "[ . ]" 3
5 1 3 ILE O 1 30 ILE H 2.150 . 2.500 1.880 1.776 1.952 0.024 8 0 "[ . ]" 3
6 1 3 ILE O 1 30 ILE N 2.900 2.500 3.300 2.558 2.485 2.673 0.015 6 0 "[ . ]" 3
7 1 3 ILE H 1 30 ILE O 2.150 . 2.500 2.425 2.203 2.562 0.062 6 0 "[ . ]" 3
8 1 3 ILE N 1 30 ILE O 2.900 2.500 3.300 3.057 2.792 3.240 . 0 0 "[ . ]" 3
9 1 5 PHE O 1 28 ILE H 2.150 . 2.500 1.938 1.780 2.252 0.020 8 0 "[ . ]" 3
10 1 5 PHE O 1 28 ILE N 2.900 2.500 3.300 2.796 2.632 3.082 . 0 0 "[ . ]" 3
11 1 5 PHE H 1 28 ILE O 2.150 . 2.500 1.871 1.765 2.149 0.035 2 0 "[ . ]" 3
12 1 5 PHE N 1 28 ILE O 2.900 2.500 3.300 2.766 2.673 2.989 . 0 0 "[ . ]" 3
13 1 29 GLU O 1 44 GLU H 2.150 . 2.500 2.063 1.954 2.138 . 0 0 "[ . ]" 3
14 1 29 GLU O 1 44 GLU N 2.900 2.500 3.300 2.983 2.875 3.055 . 0 0 "[ . ]" 3
15 1 29 GLU H 1 44 GLU O 2.150 . 2.500 2.279 2.145 2.383 . 0 0 "[ . ]" 3
16 1 29 GLU N 1 44 GLU O 2.900 2.500 3.300 2.591 2.547 2.670 . 0 0 "[ . ]" 3
17 1 31 LYS O 1 42 ASP H 2.150 . 2.500 2.156 1.867 2.500 . 0 0 "[ . ]" 3
18 1 31 LYS O 1 42 ASP N 2.900 2.500 3.300 2.705 2.490 3.008 0.010 4 0 "[ . ]" 3
19 1 31 LYS H 1 42 ASP O 2.150 . 2.500 2.073 1.903 2.215 . 0 0 "[ . ]" 3
20 1 31 LYS N 1 42 ASP O 2.900 2.500 3.300 2.707 2.640 2.768 . 0 0 "[ . ]" 3
21 1 43 PHE O 1 61 LEU H 2.150 . 2.500 1.777 1.762 1.796 0.038 1 0 "[ . ]" 3
22 1 43 PHE O 1 61 LEU N 2.900 2.500 3.300 2.630 2.596 2.662 . 0 0 "[ . ]" 3
23 1 43 PHE H 1 61 LEU O 2.150 . 2.500 1.802 1.759 2.000 0.041 7 0 "[ . ]" 3
24 1 43 PHE N 1 61 LEU O 2.900 2.500 3.300 2.708 2.637 2.938 . 0 0 "[ . ]" 3
25 1 45 TRP O 1 59 ILE H 2.150 . 2.500 2.269 1.854 2.476 . 0 0 "[ . ]" 3
26 1 45 TRP O 1 59 ILE N 2.900 2.500 3.300 3.044 2.691 3.240 . 0 0 "[ . ]" 3
27 1 45 TRP H 1 59 ILE O 2.150 . 2.500 1.925 1.837 2.033 . 0 0 "[ . ]" 3
28 1 45 TRP N 1 59 ILE O 2.900 2.500 3.300 2.867 2.800 2.923 . 0 0 "[ . ]" 3
29 1 27 GLU O 1 46 ARG H 2.150 . 2.500 2.350 2.032 2.519 0.019 3 0 "[ . ]" 3
30 1 27 GLU O 1 46 ARG N 2.900 2.500 3.300 2.961 2.696 3.128 . 0 0 "[ . ]" 3
31 1 27 GLU H 1 46 ARG O 2.150 . 2.500 2.255 2.161 2.375 . 0 0 "[ . ]" 3
32 1 27 GLU N 1 46 ARG O 2.900 2.500 3.300 3.171 3.032 3.327 0.027 2 0 "[ . ]" 3
33 1 82 PHE O 1 94 PHE H 2.150 . 2.500 2.196 1.997 2.451 . 0 0 "[ . ]" 3
34 1 82 PHE O 1 94 PHE N 2.900 2.500 3.300 3.081 2.830 3.301 0.001 5 0 "[ . ]" 3
35 1 82 PHE H 1 94 PHE O 2.150 . 2.500 2.178 1.968 2.461 . 0 0 "[ . ]" 3
36 1 82 PHE N 1 94 PHE O 2.900 2.500 3.300 2.762 2.564 2.982 . 0 0 "[ . ]" 3
37 1 84 LEU O 1 92 TYR H 2.150 . 2.500 2.366 1.965 2.512 0.012 7 0 "[ . ]" 3
38 1 84 LEU O 1 92 TYR N 2.900 2.500 3.300 3.065 2.892 3.259 . 0 0 "[ . ]" 3
39 1 84 LEU H 1 92 TYR O 2.150 . 2.500 1.999 1.831 2.229 . 0 0 "[ . ]" 3
40 1 84 LEU N 1 92 TYR O 2.900 2.500 3.300 2.889 2.721 3.129 . 0 0 "[ . ]" 3
41 1 13 ASN O 1 18 LEU H 2.150 . 2.500 2.508 2.495 2.531 0.031 3 0 "[ . ]" 3
42 1 13 ASN O 1 18 LEU N 2.900 2.500 3.300 3.327 3.309 3.337 0.037 4 0 "[ . ]" 3
43 1 13 ASN H 1 18 LEU O 2.150 . 2.500 2.357 2.111 2.449 . 0 0 "[ . ]" 3
44 1 13 ASN N 1 18 LEU O 2.900 2.500 3.300 3.236 3.045 3.314 0.014 2 0 "[ . ]" 3
45 1 11 GLU O 1 20 THR H 2.150 . 2.500 2.245 1.903 2.512 0.012 1 0 "[ . ]" 3
46 1 11 GLU O 1 20 THR N 2.900 2.500 3.300 2.989 2.802 3.201 . 0 0 "[ . ]" 3
47 1 11 GLU H 1 20 THR O 2.150 . 2.500 2.316 2.145 2.497 . 0 0 "[ . ]" 3
48 1 11 GLU N 1 20 THR O 2.900 2.500 3.300 2.803 2.588 2.970 . 0 0 "[ . ]" 3
49 1 69 MET O 1 85 VAL H 2.150 . 2.500 2.232 1.862 2.498 . 0 0 "[ . ]" 3
50 1 69 MET O 1 85 VAL N 2.900 2.500 3.300 3.113 2.718 3.344 0.044 4 0 "[ . ]" 3
51 1 69 MET H 1 85 VAL O 2.150 . 2.500 2.057 1.792 2.392 0.008 7 0 "[ . ]" 3
52 1 69 MET N 1 85 VAL O 2.900 2.500 3.300 2.776 2.573 3.308 0.008 4 0 "[ . ]" 3
53 1 71 VAL O 1 83 ALA H 2.150 . 2.500 2.331 2.036 2.517 0.017 7 0 "[ . ]" 3
54 1 71 VAL O 1 83 ALA N 2.900 2.500 3.300 3.195 3.011 3.315 0.015 3 0 "[ . ]" 3
55 1 71 VAL H 1 83 ALA O 2.150 . 2.500 2.124 1.854 2.391 . 0 0 "[ . ]" 3
56 1 71 VAL N 1 83 ALA O 2.900 2.500 3.300 2.965 2.743 3.228 . 0 0 "[ . ]" 3
stop_
save_
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