NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563642 |
2lui   |
18522 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lui
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 202
_Distance_constraint_stats_list.Viol_count 594
_Distance_constraint_stats_list.Viol_total 1102.414
_Distance_constraint_stats_list.Viol_max 0.967
_Distance_constraint_stats_list.Viol_rms 0.0556
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0136
_Distance_constraint_stats_list.Viol_average_violations_only 0.0928
_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 4 GLY 0.189 0.094 8 0 "[ . 1 . 2]"
1 5 ILE 0.458 0.094 8 0 "[ . 1 . 2]"
1 6 PRO 0.480 0.156 10 0 "[ . 1 . 2]"
1 7 VAL 1.981 0.244 2 0 "[ . 1 . 2]"
1 8 PRO 0.729 0.119 14 0 "[ . 1 . 2]"
1 9 GLY 0.729 0.119 14 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.123 0.040 7 0 "[ . 1 . 2]"
1 14 GLN 6.545 0.899 6 4 "[ .+ 1 ** . - 2]"
1 15 LYS 4.305 0.392 6 0 "[ . 1 . 2]"
1 16 ASP 2.317 0.104 10 0 "[ . 1 . 2]"
1 17 ALA 0.196 0.059 10 0 "[ . 1 . 2]"
1 18 GLN 7.297 0.587 2 1 "[ + . 1 . 2]"
1 19 ASN 6.741 0.427 2 0 "[ . 1 . 2]"
1 20 LEU 7.634 0.204 9 0 "[ . 1 . 2]"
1 21 ILE 2.499 0.113 14 0 "[ . 1 . 2]"
1 22 GLY 1.800 0.118 3 0 "[ . 1 . 2]"
1 23 ILE 3.514 0.188 3 0 "[ . 1 . 2]"
1 24 SER 0.988 0.085 3 0 "[ . 1 . 2]"
1 25 ILE 0.015 0.015 18 0 "[ . 1 . 2]"
1 26 GLY 0.013 0.010 5 0 "[ . 1 . 2]"
1 28 GLY 0.170 0.071 18 0 "[ . 1 . 2]"
1 29 ALA 2.109 0.629 6 1 "[ .+ 1 . 2]"
1 31 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 CYS 0.751 0.176 13 0 "[ . 1 . 2]"
1 33 PRO 2.690 0.629 6 1 "[ .+ 1 . 2]"
1 35 LEU 1.447 0.140 18 0 "[ . 1 . 2]"
1 36 TYR 2.800 0.200 15 0 "[ . 1 . 2]"
1 37 ILE 2.261 0.130 8 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLN 7.839 0.967 2 2 "[ + -. 1 . 2]"
1 40 VAL 1.423 0.411 4 0 "[ . 1 . 2]"
1 41 PHE 0.207 0.048 1 0 "[ . 1 . 2]"
1 42 ASP 2.874 0.927 12 1 "[ . 1 + . 2]"
1 43 ASN 1.692 0.927 12 1 "[ . 1 + . 2]"
1 44 THR 0.942 0.119 16 0 "[ . 1 . 2]"
1 45 PRO 4.957 0.145 11 0 "[ . 1 . 2]"
1 46 ALA 3.784 0.145 11 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.382 0.049 9 0 "[ . 1 . 2]"
1 51 THR 2.429 0.248 7 0 "[ . 1 . 2]"
1 52 VAL 2.429 0.248 7 0 "[ . 1 . 2]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.006 0.003 11 0 "[ . 1 . 2]"
1 56 ASP 0.325 0.080 15 0 "[ . 1 . 2]"
1 58 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LYS 0.415 0.075 17 0 "[ . 1 . 2]"
1 116 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 52 VAL H 1 52 VAL QG 2.566 . 3.093 1.993 1.824 2.840 . 0 0 "[ . 1 . 2]" 1
2 1 51 THR MG 1 52 VAL H 2.875 . 3.908 3.941 3.091 4.156 0.248 7 0 "[ . 1 . 2]" 1
3 1 51 THR HA 1 52 VAL H 2.539 . 3.345 2.861 2.513 3.189 . 0 0 "[ . 1 . 2]" 1
4 1 52 VAL H 1 52 VAL HB 3.185 . 4.453 3.629 2.107 3.806 . 0 0 "[ . 1 . 2]" 1
5 1 28 GLY H 1 28 GLY HA3 2.878 . 3.913 2.574 2.289 2.930 . 0 0 "[ . 1 . 2]" 1
6 1 28 GLY H 1 28 GLY HA2 2.789 . 3.761 2.665 2.290 2.957 . 0 0 "[ . 1 . 2]" 1
7 1 28 GLY H 1 29 ALA H 3.155 . 4.372 3.362 2.075 4.443 0.071 18 0 "[ . 1 . 2]" 1
8 1 21 ILE MG 1 46 ALA H 2.699 . 3.610 2.656 2.378 3.254 . 0 0 "[ . 1 . 2]" 1
9 1 46 ALA H 1 46 ALA MB 2.383 . 3.093 2.204 2.178 2.225 . 0 0 "[ . 1 . 2]" 1
10 1 13 LEU HB3 1 46 ALA H 3.174 . 6.000 4.943 4.576 5.694 . 0 0 "[ . 1 . 2]" 1
11 1 45 PRO HB3 1 46 ALA H 2.849 . 3.864 3.978 3.952 4.009 0.145 11 0 "[ . 1 . 2]" 1
12 1 21 ILE HB 1 46 ALA H 3.255 . 4.580 3.742 3.534 4.191 . 0 0 "[ . 1 . 2]" 1
13 1 46 ALA H 1 47 ALA MB 3.116 . 6.000 4.574 4.414 4.687 . 0 0 "[ . 1 . 2]" 1
14 1 45 PRO HG3 1 46 ALA H 2.844 . 3.855 3.930 3.879 3.992 0.137 2 0 "[ . 1 . 2]" 1
15 1 46 ALA H 1 46 ALA HA 2.741 . 3.680 2.781 2.766 2.790 . 0 0 "[ . 1 . 2]" 1
16 1 22 GLY HA3 1 46 ALA H 3.377 . 4.802 4.290 4.131 4.478 . 0 0 "[ . 1 . 2]" 1
17 1 45 PRO HD2 1 46 ALA H 3.212 . 4.502 3.137 2.995 3.301 . 0 0 "[ . 1 . 2]" 1
18 1 46 ALA H 1 47 ALA H 2.973 . 3.794 2.884 2.754 3.014 . 0 0 "[ . 1 . 2]" 1
19 1 10 LYS H 1 11 VAL QG 2.514 . 6.000 3.846 3.100 4.993 . 0 0 "[ . 1 . 2]" 1
20 1 76 LYS H 1 76 LYS HG3 2.714 . 6.000 4.453 4.414 4.480 . 0 0 "[ . 1 . 2]" 1
21 1 76 LYS H 1 76 LYS HG2 2.355 . 6.000 4.432 4.378 4.480 . 0 0 "[ . 1 . 2]" 1
22 1 18 GLN H 1 19 ASN H 2.335 . 3.016 2.428 2.323 2.552 . 0 0 "[ . 1 . 2]" 1
23 1 19 ASN H 1 20 LEU H 2.475 . 3.241 2.580 2.470 2.729 . 0 0 "[ . 1 . 2]" 1
24 1 19 ASN H 1 19 ASN HA 2.290 . 2.945 2.265 2.210 2.301 . 0 0 "[ . 1 . 2]" 1
25 1 17 ALA HA 1 19 ASN H 2.700 . 3.611 3.546 3.354 3.670 0.059 10 0 "[ . 1 . 2]" 1
26 1 19 ASN H 1 19 ASN HB3 2.867 . 3.895 3.407 2.956 3.686 . 0 0 "[ . 1 . 2]" 1
27 1 19 ASN H 1 19 ASN HB2 2.742 . 3.682 3.461 3.189 3.911 0.229 14 0 "[ . 1 . 2]" 1
28 1 18 GLN HB3 1 19 ASN H 2.716 . 3.638 3.765 3.573 4.065 0.427 2 0 "[ . 1 . 2]" 1
29 1 18 GLN HB2 1 19 ASN H 3.055 . 4.222 3.912 3.447 4.270 0.048 15 0 "[ . 1 . 2]" 1
30 1 15 LYS HB2 1 19 ASN H 2.851 . 6.000 4.659 4.348 4.921 . 0 0 "[ . 1 . 2]" 1
31 1 15 LYS HB3 1 19 ASN H 2.965 . 4.064 3.623 3.179 3.983 . 0 0 "[ . 1 . 2]" 1
32 1 17 ALA MB 1 19 ASN H 2.824 . 6.000 4.243 4.122 4.334 . 0 0 "[ . 1 . 2]" 1
33 1 19 ASN H 1 20 LEU QD 2.900 . 6.000 4.027 3.395 4.211 . 0 0 "[ . 1 . 2]" 1
34 1 23 ILE MD 1 24 SER H 2.684 . 3.585 3.080 2.894 3.235 . 0 0 "[ . 1 . 2]" 1
35 1 23 ILE HB 1 24 SER H 2.786 . 3.756 2.080 1.946 2.212 . 0 0 "[ . 1 . 2]" 1
36 1 23 ILE HA 1 24 SER H 2.709 . 3.627 2.433 2.322 2.547 . 0 0 "[ . 1 . 2]" 1
37 1 24 SER H 1 39 GLN H 2.998 . 3.266 2.943 2.713 3.113 . 0 0 "[ . 1 . 2]" 1
38 1 43 ASN H 1 44 THR H 2.695 . 3.367 2.246 2.148 2.384 . 0 0 "[ . 1 . 2]" 1
39 1 43 ASN H 1 48 LEU HA 2.985 . 6.000 5.825 5.676 6.006 0.006 3 0 "[ . 1 . 2]" 1
40 1 43 ASN H 1 43 ASN HB3 2.765 . 3.721 3.640 3.549 3.680 . 0 0 "[ . 1 . 2]" 1
41 1 43 ASN H 1 43 ASN HB2 2.775 . 3.737 2.440 2.328 2.513 . 0 0 "[ . 1 . 2]" 1
42 1 42 ASP HB3 1 43 ASN H 2.432 . 3.171 2.979 2.627 4.098 0.927 12 1 "[ . 1 + . 2]" 1
43 1 43 ASN H 1 47 ALA MB 2.353 . 6.000 3.550 3.337 3.819 . 0 0 "[ . 1 . 2]" 1
44 1 43 ASN H 1 48 LEU QD 2.995 . 6.000 4.555 4.152 5.198 . 0 0 "[ . 1 . 2]" 1
45 1 55 GLY H 1 55 GLY HA3 2.996 . 4.118 2.946 2.922 2.956 . 0 0 "[ . 1 . 2]" 1
46 1 54 ALA HA 1 55 GLY H 2.577 . 3.407 2.147 2.124 2.173 . 0 0 "[ . 1 . 2]" 1
47 1 55 GLY H 1 55 GLY HA2 2.879 . 3.915 2.479 2.354 2.603 . 0 0 "[ . 1 . 2]" 1
48 1 55 GLY H 1 56 ASP H 3.035 . 3.680 2.217 1.888 2.440 . 0 0 "[ . 1 . 2]" 1
49 1 54 ALA MB 1 55 GLY H 2.729 . 3.660 3.182 2.952 3.409 . 0 0 "[ . 1 . 2]" 1
50 1 37 ILE MG 1 55 GLY H 2.974 . 4.080 2.184 1.865 2.512 0.003 11 0 "[ . 1 . 2]" 1
51 1 37 ILE MD 1 55 GLY H 2.967 . 4.067 3.386 3.113 3.676 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLY H 1 4 GLY HA3 2.873 . 3.905 2.664 2.304 2.952 . 0 0 "[ . 1 . 2]" 1
53 1 5 ILE H 1 5 ILE HA 2.642 . 3.514 2.900 2.818 2.944 . 0 0 "[ . 1 . 2]" 1
54 1 4 GLY QA 1 5 ILE H 2.156 . 2.737 2.411 2.103 2.831 0.094 8 0 "[ . 1 . 2]" 1
55 1 5 ILE H 1 6 PRO HD3 2.882 . 6.000 5.034 4.701 5.292 . 0 0 "[ . 1 . 2]" 1
56 1 5 ILE H 1 5 ILE HB 2.312 . 6.000 3.665 3.540 3.763 . 0 0 "[ . 1 . 2]" 1
57 1 5 ILE H 1 5 ILE QG 2.521 . 3.265 1.909 1.813 1.997 . 0 0 "[ . 1 . 2]" 1
58 1 54 ALA MB 1 56 ASP H 2.894 . 6.000 4.630 4.481 4.797 . 0 0 "[ . 1 . 2]" 1
59 1 5 ILE H 1 5 ILE MG 2.576 . 3.405 2.562 2.221 3.026 . 0 0 "[ . 1 . 2]" 1
60 1 5 ILE H 1 5 ILE MD 2.683 . 3.583 3.404 1.781 3.669 0.086 16 0 "[ . 1 . 2]" 1
61 1 8 PRO HA 1 9 GLY H 2.340 . 3.024 2.147 2.084 2.326 . 0 0 "[ . 1 . 2]" 1
62 1 9 GLY H 1 9 GLY HA3 2.764 . 3.719 2.631 2.449 2.953 . 0 0 "[ . 1 . 2]" 1
63 1 9 GLY H 1 9 GLY HA2 2.760 . 3.712 2.845 2.326 2.955 . 0 0 "[ . 1 . 2]" 1
64 1 8 PRO HB3 1 9 GLY H 2.845 . 3.857 3.831 3.590 3.919 0.062 8 0 "[ . 1 . 2]" 1
65 1 8 PRO HG3 1 9 GLY H 3.034 . 6.000 5.485 5.110 5.676 . 0 0 "[ . 1 . 2]" 1
66 1 8 PRO HB2 1 9 GLY H 2.812 . 3.801 3.513 2.797 3.920 0.119 14 0 "[ . 1 . 2]" 1
67 1 11 VAL H 1 11 VAL HA 2.859 . 3.880 2.938 2.918 2.954 . 0 0 "[ . 1 . 2]" 1
68 1 11 VAL H 1 11 VAL QG 2.261 . 2.900 2.247 2.122 2.355 . 0 0 "[ . 1 . 2]" 1
69 1 14 GLN H 1 15 LYS H 3.057 . 4.225 4.297 4.270 4.337 0.112 7 0 "[ . 1 . 2]" 1
70 1 13 LEU HA 1 14 GLN H 2.292 . 2.948 2.743 2.669 2.862 . 0 0 "[ . 1 . 2]" 1
71 1 14 GLN H 1 14 GLN HA 2.701 . 3.613 2.904 2.865 2.941 . 0 0 "[ . 1 . 2]" 1
72 1 14 GLN H 1 14 GLN HB3 2.450 . 6.000 3.615 3.076 3.806 . 0 0 "[ . 1 . 2]" 1
73 1 14 GLN H 1 14 GLN HB2 2.339 . 3.023 2.894 2.585 3.922 0.899 6 4 "[ .+ 1 ** . - 2]" 1
74 1 13 LEU HB2 1 14 GLN H 2.645 . 3.520 2.890 2.619 3.056 . 0 0 "[ . 1 . 2]" 1
75 1 13 LEU HB3 1 14 GLN H 2.664 . 3.551 1.869 1.737 2.133 0.040 7 0 "[ . 1 . 2]" 1
76 1 14 GLN H 1 85 VAL QG 3.031 . 4.180 3.342 2.870 3.656 . 0 0 "[ . 1 . 2]" 1
77 1 13 LEU MD2 1 14 GLN H 2.392 . 6.000 4.198 3.656 4.460 . 0 0 "[ . 1 . 2]" 1
78 1 14 GLN HA 1 15 LYS H 2.429 . 3.166 2.160 2.073 2.333 . 0 0 "[ . 1 . 2]" 1
79 1 15 LYS H 1 15 LYS HA 2.857 . 3.877 2.722 2.598 2.787 . 0 0 "[ . 1 . 2]" 1
80 1 14 GLN HG2 1 15 LYS H 3.177 . 4.438 3.966 3.692 4.691 0.253 7 0 "[ . 1 . 2]" 1
81 1 15 LYS H 1 15 LYS HB2 2.585 . 3.420 2.723 2.595 2.844 . 0 0 "[ . 1 . 2]" 1
82 1 15 LYS H 1 15 LYS QD 2.822 . 3.817 3.058 2.807 3.590 . 0 0 "[ . 1 . 2]" 1
83 1 15 LYS H 1 15 LYS HG3 2.881 . 3.919 3.422 3.166 3.641 . 0 0 "[ . 1 . 2]" 1
84 1 15 LYS H 1 84 GLU HA 3.103 . 4.306 2.682 2.356 3.322 . 0 0 "[ . 1 . 2]" 1
85 1 14 GLN HB3 1 15 LYS H 2.795 . 3.771 3.052 2.446 4.163 0.392 6 0 "[ . 1 . 2]" 1
86 1 15 LYS H 1 15 LYS HB3 2.808 . 3.794 3.579 3.509 3.615 . 0 0 "[ . 1 . 2]" 1
87 1 15 LYS H 1 21 ILE MG 3.028 . 6.000 5.015 4.547 5.299 . 0 0 "[ . 1 . 2]" 1
88 1 16 ASP H 1 19 ASN H 3.056 . 4.224 3.688 3.528 3.981 . 0 0 "[ . 1 . 2]" 1
89 1 16 ASP H 1 20 LEU H 2.700 . 3.611 2.662 2.361 2.804 . 0 0 "[ . 1 . 2]" 1
90 1 16 ASP H 1 16 ASP HA 2.721 . 3.647 2.897 2.873 2.914 . 0 0 "[ . 1 . 2]" 1
91 1 16 ASP H 1 19 ASN HA 3.090 . 4.284 3.738 3.364 3.882 . 0 0 "[ . 1 . 2]" 1
92 1 15 LYS HA 1 16 ASP H 2.378 . 3.085 2.182 2.113 2.308 . 0 0 "[ . 1 . 2]" 1
93 1 16 ASP H 1 16 ASP HB3 2.840 . 3.848 2.451 2.315 2.588 . 0 0 "[ . 1 . 2]" 1
94 1 16 ASP H 1 16 ASP HB2 2.652 . 3.531 2.798 2.532 3.635 0.104 10 0 "[ . 1 . 2]" 1
95 1 16 ASP H 1 45 PRO HG2 2.866 . 3.893 3.952 3.895 3.976 0.083 2 0 "[ . 1 . 2]" 1
96 1 15 LYS HB2 1 16 ASP H 2.748 . 3.692 3.731 3.660 3.778 0.086 4 0 "[ . 1 . 2]" 1
97 1 15 LYS HB3 1 16 ASP H 2.700 . 3.611 2.724 2.536 2.915 . 0 0 "[ . 1 . 2]" 1
98 1 15 LYS QD 1 16 ASP H 2.847 . 3.860 3.511 3.238 3.778 . 0 0 "[ . 1 . 2]" 1
99 1 16 ASP H 1 20 LEU QD 2.710 . 6.000 3.354 3.115 3.534 . 0 0 "[ . 1 . 2]" 1
100 1 16 ASP H 1 45 PRO HG3 2.893 . 3.939 3.275 3.143 3.413 . 0 0 "[ . 1 . 2]" 1
101 1 7 VAL H 1 7 VAL HA 2.353 . 3.045 2.868 2.610 2.923 . 0 0 "[ . 1 . 2]" 1
102 1 7 VAL H 1 7 VAL HB 2.531 . 3.331 2.926 2.419 3.575 0.244 2 0 "[ . 1 . 2]" 1
103 1 6 PRO QG 1 7 VAL H 3.074 . 4.255 2.181 1.852 3.670 0.041 8 0 "[ . 1 . 2]" 1
104 1 7 VAL H 1 91 LYS HB2 3.159 . 4.407 4.156 3.513 4.482 0.075 17 0 "[ . 1 . 2]" 1
105 1 6 PRO HB2 1 7 VAL H 2.977 . 4.085 2.031 1.713 2.617 0.156 10 0 "[ . 1 . 2]" 1
106 1 16 ASP HA 1 17 ALA H 2.879 . 3.915 2.656 2.519 2.835 . 0 0 "[ . 1 . 2]" 1
107 1 16 ASP HB2 1 17 ALA H 3.079 . 4.264 3.506 2.123 3.832 . 0 0 "[ . 1 . 2]" 1
108 1 17 ALA H 1 17 ALA MB 2.635 . 3.503 2.231 2.218 2.247 . 0 0 "[ . 1 . 2]" 1
109 1 16 ASP HB3 1 17 ALA H 3.059 . 4.229 3.386 2.957 3.610 . 0 0 "[ . 1 . 2]" 1
110 1 18 GLN H 1 18 GLN HA 2.453 . 3.205 2.901 2.842 2.923 . 0 0 "[ . 1 . 2]" 1
111 1 17 ALA HA 1 18 GLN H 2.429 . 6.000 3.442 3.380 3.510 . 0 0 "[ . 1 . 2]" 1
112 1 18 GLN H 1 18 GLN HB3 2.191 . 2.791 3.010 2.644 3.378 0.587 2 1 "[ + . 1 . 2]" 1
113 1 18 GLN H 1 18 GLN HB2 2.332 . 3.012 2.184 1.968 2.495 . 0 0 "[ . 1 . 2]" 1
114 1 18 GLN H 1 20 LEU QD 2.737 . 3.673 3.465 3.007 3.633 . 0 0 "[ . 1 . 2]" 1
115 1 19 ASN HA 1 20 LEU H 2.660 . 3.545 2.954 2.798 3.127 . 0 0 "[ . 1 . 2]" 1
116 1 15 LYS HA 1 20 LEU H 2.988 . 4.104 4.094 3.760 4.196 0.092 14 0 "[ . 1 . 2]" 1
117 1 19 ASN HB2 1 20 LEU H 3.159 . 4.406 4.531 4.483 4.610 0.204 9 0 "[ . 1 . 2]" 1
118 1 18 GLN HB3 1 20 LEU H 2.958 . 4.052 3.278 3.058 3.603 . 0 0 "[ . 1 . 2]" 1
119 1 20 LEU H 1 20 LEU HB3 2.537 . 3.341 3.382 2.986 3.504 0.163 7 0 "[ . 1 . 2]" 1
120 1 20 LEU H 1 20 LEU HG 2.591 . 3.430 2.347 2.110 3.594 0.164 6 0 "[ . 1 . 2]" 1
121 1 20 LEU H 1 20 LEU HB2 2.658 . 6.000 3.763 3.660 3.865 . 0 0 "[ . 1 . 2]" 1
122 1 20 LEU H 1 20 LEU QD 2.410 . 3.136 2.416 1.775 2.647 . 0 0 "[ . 1 . 2]" 1
123 1 21 ILE H 1 22 GLY H 2.905 . 3.833 2.067 1.995 2.131 . 0 0 "[ . 1 . 2]" 1
124 1 21 ILE H 1 21 ILE HB 3.004 . 4.132 3.237 3.152 3.355 . 0 0 "[ . 1 . 2]" 1
125 1 21 ILE H 1 21 ILE MG 2.672 . 3.565 3.595 3.423 3.670 0.105 14 0 "[ . 1 . 2]" 1
126 1 20 LEU HB2 1 21 ILE H 3.018 . 4.156 1.818 1.767 2.055 0.113 14 0 "[ . 1 . 2]" 1
127 1 21 ILE H 1 21 ILE HG13 2.492 . 3.268 1.809 1.744 1.909 . 0 0 "[ . 1 . 2]" 1
128 1 22 GLY H 1 23 ILE H 2.844 . 3.518 2.234 2.145 2.361 . 0 0 "[ . 1 . 2]" 1
129 1 20 LEU HB3 1 22 GLY H 3.070 . 4.248 4.338 4.257 4.366 0.118 3 0 "[ . 1 . 2]" 1
130 1 21 ILE HG13 1 22 GLY H 2.980 . 4.090 2.998 2.673 3.171 . 0 0 "[ . 1 . 2]" 1
131 1 20 LEU HB2 1 22 GLY H 2.743 . 3.684 2.650 2.606 2.949 . 0 0 "[ . 1 . 2]" 1
132 1 20 LEU QD 1 22 GLY H 2.586 . 3.422 2.028 1.785 2.513 . 0 0 "[ . 1 . 2]" 1
133 1 22 GLY HA3 1 23 ILE H 2.987 . 4.102 3.527 3.507 3.553 . 0 0 "[ . 1 . 2]" 1
134 1 23 ILE H 1 23 ILE HB 2.966 . 4.066 3.791 3.751 3.836 . 0 0 "[ . 1 . 2]" 1
135 1 21 ILE HG12 1 23 ILE H 2.818 . 6.000 5.277 4.778 5.520 . 0 0 "[ . 1 . 2]" 1
136 1 23 ILE H 1 23 ILE HG13 2.702 . 3.615 1.945 1.828 2.058 . 0 0 "[ . 1 . 2]" 1
137 1 23 ILE H 1 23 ILE MG 2.338 . 3.021 3.055 2.995 3.108 0.087 20 0 "[ . 1 . 2]" 1
138 1 23 ILE H 1 116 VAL H 3.125 . 4.346 3.210 2.949 3.468 . 0 0 "[ . 1 . 2]" 1
139 1 23 ILE HG13 1 24 SER H 3.098 . 4.298 4.345 4.271 4.383 0.085 3 0 "[ . 1 . 2]" 1
140 1 25 ILE H 1 37 ILE HG12 2.772 . 6.000 5.152 4.496 6.015 0.015 18 0 "[ . 1 . 2]" 1
141 1 26 GLY H 1 37 ILE HG12 2.672 . 6.000 5.572 4.850 6.010 0.010 5 0 "[ . 1 . 2]" 1
142 1 29 ALA H 1 29 ALA HA 2.815 . 3.806 2.763 2.262 2.953 . 0 0 "[ . 1 . 2]" 1
143 1 29 ALA H 1 33 PRO HA 2.744 . 6.000 4.138 1.507 5.879 . 0 0 "[ . 1 . 2]" 1
144 1 28 GLY HA3 1 29 ALA H 2.746 . 3.689 2.935 2.180 3.563 . 0 0 "[ . 1 . 2]" 1
145 1 28 GLY HA2 1 29 ALA H 2.832 . 3.835 2.868 2.134 3.566 . 0 0 "[ . 1 . 2]" 1
146 1 29 ALA H 1 33 PRO HB2 3.253 . 4.576 4.429 3.987 5.205 0.629 6 1 "[ .+ 1 . 2]" 1
147 1 29 ALA H 1 33 PRO HG3 3.161 . 4.410 3.848 2.268 4.768 0.358 3 0 "[ . 1 . 2]" 1
148 1 29 ALA H 1 29 ALA MB 2.617 . 3.473 2.591 2.244 3.027 . 0 0 "[ . 1 . 2]" 1
149 1 32 CYS H 1 33 PRO HA 3.451 . 4.939 4.725 4.239 5.115 0.176 13 0 "[ . 1 . 2]" 1
150 1 31 TYR HA 1 32 CYS H 3.126 . 4.348 3.306 2.761 3.585 . 0 0 "[ . 1 . 2]" 1
151 1 35 LEU H 1 35 LEU HG 2.627 . 3.490 3.175 2.307 3.622 0.132 17 0 "[ . 1 . 2]" 1
152 1 36 TYR H 1 36 TYR QD 3.397 . 4.839 2.944 2.265 3.455 . 0 0 "[ . 1 . 2]" 1
153 1 36 TYR H 1 36 TYR QE 3.117 . 4.331 4.373 3.782 4.531 0.200 15 0 "[ . 1 . 2]" 1
154 1 35 LEU HA 1 36 TYR H 2.669 . 3.560 3.255 2.033 3.591 0.031 13 0 "[ . 1 . 2]" 1
155 1 36 TYR H 1 36 TYR HB3 3.075 . 4.257 3.785 2.992 4.112 . 0 0 "[ . 1 . 2]" 1
156 1 35 LEU HG 1 36 TYR H 2.792 . 3.766 3.064 1.835 3.906 0.140 18 0 "[ . 1 . 2]" 1
157 1 35 LEU QD 1 36 TYR H 2.678 . 6.000 2.751 1.723 3.593 . 0 0 "[ . 1 . 2]" 1
158 1 37 ILE H 1 56 ASP H 3.356 . 4.764 4.426 3.798 4.844 0.080 15 0 "[ . 1 . 2]" 1
159 1 36 TYR HA 1 37 ILE H 2.905 . 3.960 3.119 2.117 3.680 . 0 0 "[ . 1 . 2]" 1
160 1 37 ILE H 1 37 ILE HG13 2.973 . 6.000 4.746 4.537 4.922 . 0 0 "[ . 1 . 2]" 1
161 1 37 ILE H 1 37 ILE HG12 2.848 . 6.000 4.449 4.362 4.536 . 0 0 "[ . 1 . 2]" 1
162 1 37 ILE H 1 37 ILE MG 2.872 . 3.903 2.261 1.893 2.659 . 0 0 "[ . 1 . 2]" 1
163 1 37 ILE H 1 58 ILE H 3.383 . 4.814 3.384 2.695 4.246 . 0 0 "[ . 1 . 2]" 1
164 1 36 TYR HB2 1 37 ILE H 3.060 . 4.231 2.663 1.969 4.013 . 0 0 "[ . 1 . 2]" 1
165 1 37 ILE H 1 37 ILE HB 2.858 . 3.879 2.662 2.474 2.828 . 0 0 "[ . 1 . 2]" 1
166 1 37 ILE H 1 37 ILE MD 2.872 . 6.000 4.329 4.109 4.561 . 0 0 "[ . 1 . 2]" 1
167 1 23 ILE HA 1 39 GLN H 3.260 . 4.589 4.679 4.590 4.777 0.188 3 0 "[ . 1 . 2]" 1
168 1 37 ILE HA 1 39 GLN H 2.931 . 4.005 3.745 3.487 4.045 0.040 20 0 "[ . 1 . 2]" 1
169 1 39 GLN H 1 39 GLN HA 2.652 . 3.531 2.862 2.827 2.890 . 0 0 "[ . 1 . 2]" 1
170 1 38 VAL HB 1 39 GLN H 3.322 . 4.702 3.282 2.807 4.045 . 0 0 "[ . 1 . 2]" 1
171 1 39 GLN H 1 39 GLN HG2 2.762 . 3.716 3.656 3.054 4.683 0.967 2 2 "[ + -. 1 . 2]" 1
172 1 39 GLN H 1 39 GLN QB 2.739 . 3.677 2.869 2.675 3.141 . 0 0 "[ . 1 . 2]" 1
173 1 37 ILE HG12 1 39 GLN H 3.054 . 4.220 3.185 2.096 3.720 . 0 0 "[ . 1 . 2]" 1
174 1 37 ILE MG 1 39 GLN H 2.931 . 4.005 4.095 4.012 4.135 0.130 8 0 "[ . 1 . 2]" 1
175 1 37 ILE MD 1 39 GLN H 2.575 . 3.404 2.147 1.877 3.434 0.030 18 0 "[ . 1 . 2]" 1
176 1 39 GLN H 1 40 VAL H 3.040 . 4.196 4.217 4.121 4.285 0.089 12 0 "[ . 1 . 2]" 1
177 1 39 GLN HG2 1 40 VAL H 2.940 . 3.996 3.754 3.155 4.087 0.091 1 0 "[ . 1 . 2]" 1
178 1 40 VAL H 1 40 VAL HA 2.993 . 4.113 2.918 2.892 2.930 . 0 0 "[ . 1 . 2]" 1
179 1 39 GLN HA 1 40 VAL H 2.300 . 2.961 2.202 2.078 2.377 . 0 0 "[ . 1 . 2]" 1
180 1 40 VAL H 1 40 VAL HB 2.584 . 3.418 3.149 3.100 3.232 . 0 0 "[ . 1 . 2]" 1
181 1 39 GLN HG3 1 40 VAL H 2.766 . 3.722 2.895 2.394 4.133 0.411 4 0 "[ . 1 . 2]" 1
182 1 39 GLN QB 1 40 VAL H 2.959 . 4.053 3.188 2.566 3.563 . 0 0 "[ . 1 . 2]" 1
183 1 40 VAL H 1 54 ALA MB 2.631 . 3.496 2.897 2.580 3.151 . 0 0 "[ . 1 . 2]" 1
184 1 40 VAL H 1 40 VAL MG1 2.521 . 3.316 2.529 2.415 2.666 . 0 0 "[ . 1 . 2]" 1
185 1 41 PHE HA 1 42 ASP H 2.275 . 6.000 2.731 2.041 3.243 . 0 0 "[ . 1 . 2]" 1
186 1 42 ASP H 1 42 ASP HA 2.473 . 3.238 2.870 2.736 2.949 . 0 0 "[ . 1 . 2]" 1
187 1 42 ASP H 1 42 ASP HB3 2.287 . 2.941 2.767 2.474 3.441 0.500 12 1 "[ . 1 + . 2]" 1
188 1 42 ASP H 1 44 THR MG 2.974 . 4.080 3.587 2.868 4.199 0.119 16 0 "[ . 1 . 2]" 1
189 1 40 VAL MG2 1 42 ASP H 3.505 . 5.040 4.616 4.499 4.743 . 0 0 "[ . 1 . 2]" 1
190 1 41 PHE HB3 1 42 ASP H 2.742 . 3.682 2.399 1.769 3.235 0.033 6 0 "[ . 1 . 2]" 1
191 1 41 PHE HB2 1 42 ASP H 2.977 . 4.085 3.104 2.255 4.133 0.048 1 0 "[ . 1 . 2]" 1
192 1 42 ASP H 1 47 ALA MB 3.061 . 4.232 3.376 3.108 3.654 . 0 0 "[ . 1 . 2]" 1
193 1 42 ASP H 1 43 ASN H 3.120 . 4.337 2.267 1.844 2.915 0.059 13 0 "[ . 1 . 2]" 1
194 1 43 ASN H 1 48 LEU H 3.283 . 5.026 4.911 4.824 4.996 . 0 0 "[ . 1 . 2]" 1
195 1 43 ASN H 1 43 ASN HD22 3.343 . 4.740 4.141 3.883 4.490 . 0 0 "[ . 1 . 2]" 1
196 1 43 ASN H 1 48 LEU QB 3.311 . 4.681 4.658 4.373 4.730 0.049 9 0 "[ . 1 . 2]" 1
197 1 43 ASN H 1 44 THR MG 3.198 . 4.476 2.994 2.744 3.221 . 0 0 "[ . 1 . 2]" 1
198 1 44 THR H 1 44 THR HG1 2.740 . 3.679 3.198 2.207 3.746 0.067 12 0 "[ . 1 . 2]" 1
199 1 43 ASN HA 1 44 THR H 2.276 . 6.000 3.175 3.066 3.255 . 0 0 "[ . 1 . 2]" 1
200 1 22 GLY HA3 1 44 THR H 3.304 . 6.000 4.797 4.719 4.876 . 0 0 "[ . 1 . 2]" 1
201 1 43 ASN HB3 1 44 THR H 2.929 . 6.000 4.259 4.131 4.334 . 0 0 "[ . 1 . 2]" 1
202 1 41 PHE HB2 1 44 THR H 3.232 . 4.538 3.496 3.098 3.964 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 898
_Distance_constraint_stats_list.Viol_count 2073
_Distance_constraint_stats_list.Viol_total 3519.737
_Distance_constraint_stats_list.Viol_max 0.956
_Distance_constraint_stats_list.Viol_rms 0.0447
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0098
_Distance_constraint_stats_list.Viol_average_violations_only 0.0849
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ILE 1.956 0.176 11 0 "[ . 1 . 2]"
1 6 PRO 2.531 0.176 11 0 "[ . 1 . 2]"
1 7 VAL 1.571 0.202 2 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.308 0.246 4 0 "[ . 1 . 2]"
1 10 LYS 2.777 0.814 18 1 "[ . 1 . + 2]"
1 11 VAL 1.832 0.166 18 0 "[ . 1 . 2]"
1 12 THR 0.332 0.206 12 0 "[ . 1 . 2]"
1 13 LEU 2.581 0.432 19 0 "[ . 1 . 2]"
1 14 GLN 3.052 0.394 7 0 "[ . 1 . 2]"
1 15 LYS 3.066 0.135 12 0 "[ . 1 . 2]"
1 16 ASP 1.912 0.178 7 0 "[ . 1 . 2]"
1 17 ALA 0.298 0.085 7 0 "[ . 1 . 2]"
1 18 GLN 5.398 0.225 4 0 "[ . 1 . 2]"
1 19 ASN 3.611 0.238 19 0 "[ . 1 . 2]"
1 20 LEU 4.348 0.149 2 0 "[ . 1 . 2]"
1 21 ILE 8.257 0.262 17 0 "[ . 1 . 2]"
1 22 GLY 0.149 0.048 16 0 "[ . 1 . 2]"
1 23 ILE 3.807 0.205 4 0 "[ . 1 . 2]"
1 24 SER 2.996 0.160 19 0 "[ . 1 . 2]"
1 25 ILE 3.739 0.160 19 0 "[ . 1 . 2]"
1 26 GLY 1.131 0.120 10 0 "[ . 1 . 2]"
1 28 GLY 0.023 0.023 2 0 "[ . 1 . 2]"
1 29 ALA 1.434 0.220 12 0 "[ . 1 . 2]"
1 31 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 CYS 1.232 0.220 12 0 "[ . 1 . 2]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.225 0.150 8 0 "[ . 1 . 2]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ILE 2.364 0.125 18 0 "[ . 1 . 2]"
1 38 VAL 0.103 0.092 9 0 "[ . 1 . 2]"
1 39 GLN 0.073 0.044 7 0 "[ . 1 . 2]"
1 40 VAL 1.972 0.082 15 0 "[ . 1 . 2]"
1 41 PHE 3.832 0.190 1 0 "[ . 1 . 2]"
1 42 ASP 3.740 0.854 12 1 "[ . 1 + . 2]"
1 43 ASN 3.488 0.854 12 3 "[- . 1 +* . 2]"
1 44 THR 2.414 0.105 17 0 "[ . 1 . 2]"
1 45 PRO 1.235 0.235 20 0 "[ . 1 . 2]"
1 46 ALA 1.990 0.177 20 0 "[ . 1 . 2]"
1 47 ALA 1.773 0.105 17 0 "[ . 1 . 2]"
1 48 LEU 5.364 0.237 20 0 "[ . 1 . 2]"
1 49 ASP 1.228 0.432 19 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 THR 1.155 0.179 16 0 "[ . 1 . 2]"
1 52 VAL 0.653 0.248 18 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ALA 0.003 0.003 18 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 5.774 0.298 19 0 "[ . 1 . 2]"
1 57 GLU 2.254 0.298 19 0 "[ . 1 . 2]"
1 58 ILE 3.740 0.440 20 0 "[ . 1 . 2]"
1 59 THR 0.705 0.161 15 0 "[ . 1 . 2]"
1 60 GLY 0.982 0.087 16 0 "[ . 1 . 2]"
1 61 VAL 1.598 0.203 12 0 "[ . 1 . 2]"
1 62 ASN 2.285 0.284 17 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 6.564 0.296 2 0 "[ . 1 . 2]"
1 65 SER 0.344 0.079 3 0 "[ . 1 . 2]"
1 66 ILE 10.223 0.774 3 2 "[ + . 1 - . 2]"
1 67 LYS 3.744 0.255 3 0 "[ . 1 . 2]"
1 68 GLY 0.013 0.007 6 0 "[ . 1 . 2]"
1 69 LYS 8.254 0.774 3 2 "[ + . 1 - . 2]"
1 70 THR 3.380 0.276 9 0 "[ . 1 . 2]"
1 71 LYS 7.021 0.455 19 0 "[ . 1 . 2]"
1 72 VAL 3.190 0.296 4 0 "[ . 1 . 2]"
1 73 GLU 4.633 0.379 15 0 "[ . 1 . 2]"
1 74 VAL 11.217 0.455 19 0 "[ . 1 . 2]"
1 75 ALA 4.288 0.179 9 0 "[ . 1 . 2]"
1 76 LYS 6.173 0.343 10 0 "[ . 1 . 2]"
1 77 MET 2.352 0.097 13 0 "[ . 1 . 2]"
1 78 ILE 13.680 0.956 19 6 "[ . * * * *+*]"
1 79 GLN 1.612 0.238 19 0 "[ . 1 . 2]"
1 80 GLU 11.108 0.956 19 6 "[ . * - * *+*]"
1 81 VAL 2.426 0.234 13 0 "[ . 1 . 2]"
1 82 LYS 0.089 0.089 7 0 "[ . 1 . 2]"
1 83 GLY 0.328 0.082 12 0 "[ . 1 . 2]"
1 84 GLU 4.697 0.135 12 0 "[ . 1 . 2]"
1 85 VAL 2.093 0.100 13 0 "[ . 1 . 2]"
1 86 THR 0.128 0.036 12 0 "[ . 1 . 2]"
1 87 ILE 1.239 0.166 18 0 "[ . 1 . 2]"
1 88 HIS 2.109 0.119 15 0 "[ . 1 . 2]"
1 89 TYR 0.758 0.119 15 0 "[ . 1 . 2]"
1 90 ASN 1.940 0.171 1 0 "[ . 1 . 2]"
1 91 LYS 6.857 0.706 12 5 "[ . ** * + -. 2]"
1 92 LEU 0.479 0.155 9 0 "[ . 1 . 2]"
1 93 GLN 0.666 0.178 3 0 "[ . 1 . 2]"
1 94 ALA 1.619 0.178 3 0 "[ . 1 . 2]"
1 95 ASP 3.620 0.209 17 0 "[ . 1 . 2]"
1 96 PRO 1.919 0.227 16 0 "[ . 1 . 2]"
1 97 LYS 3.778 0.227 16 0 "[ . 1 . 2]"
1 98 GLN 10.325 0.624 11 5 "[ . -+ * ** 2]"
1 99 LEU 5.322 0.153 10 0 "[ . 1 . 2]"
1 100 GLU 5.747 0.251 9 0 "[ . 1 . 2]"
1 101 VAL 0.734 0.082 10 0 "[ . 1 . 2]"
1 102 LEU 2.537 0.243 9 0 "[ . 1 . 2]"
1 103 PHE 5.910 0.251 9 0 "[ . 1 . 2]"
1 104 GLN 1.136 0.204 1 0 "[ . 1 . 2]"
1 105 GLY 5.979 0.445 9 0 "[ . 1 . 2]"
1 106 PRO 5.106 0.445 9 0 "[ . 1 . 2]"
1 112 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LEU 3.194 0.237 11 0 "[ . 1 . 2]"
1 115 LYS 1.637 0.237 11 0 "[ . 1 . 2]"
1 116 VAL 3.329 0.262 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 42 ASP QB 1 44 THR H 3.012 . 6.000 4.525 4.355 4.690 . 0 0 "[ . 1 . 2]" 2
2 1 44 THR H 1 47 ALA MB 2.041 . 2.562 2.580 2.407 2.667 0.105 17 0 "[ . 1 . 2]" 2
3 1 44 THR H 1 44 THR MG 2.304 . 2.967 2.244 2.097 2.375 . 0 0 "[ . 1 . 2]" 2
4 1 44 THR H 1 48 LEU QD 2.859 . 3.881 3.793 3.636 3.954 0.073 20 0 "[ . 1 . 2]" 2
5 1 40 VAL MG2 1 44 THR H 2.763 . 6.000 4.463 4.059 4.692 . 0 0 "[ . 1 . 2]" 2
6 1 44 THR H 1 44 THR HB 2.633 . 6.000 3.657 3.614 3.711 . 0 0 "[ . 1 . 2]" 2
7 1 43 ASN HB2 1 44 THR H 3.058 . 4.227 3.700 3.542 3.885 . 0 0 "[ . 1 . 2]" 2
8 1 44 THR H 1 48 LEU QB 2.872 . 3.903 3.516 3.184 3.862 . 0 0 "[ . 1 . 2]" 2
9 1 44 THR H 1 46 ALA MB 2.884 . 6.000 5.057 4.899 5.170 . 0 0 "[ . 1 . 2]" 2
10 1 44 THR H 1 48 LEU H 3.106 . 4.139 3.300 3.083 3.512 . 0 0 "[ . 1 . 2]" 2
11 1 44 THR H 1 47 ALA H 2.810 . 3.662 3.696 3.628 3.739 0.077 15 0 "[ . 1 . 2]" 2
12 1 45 PRO HA 1 47 ALA H 3.010 . 6.000 4.671 4.397 4.903 . 0 0 "[ . 1 . 2]" 2
13 1 47 ALA H 1 47 ALA HA 2.380 . 3.088 2.878 2.858 2.895 . 0 0 "[ . 1 . 2]" 2
14 1 22 GLY HA3 1 47 ALA H 3.248 . 4.567 4.484 4.288 4.615 0.048 16 0 "[ . 1 . 2]" 2
15 1 47 ALA H 1 47 ALA MB 2.128 . 2.694 2.230 2.181 2.256 . 0 0 "[ . 1 . 2]" 2
16 1 47 ALA H 1 48 LEU QB 2.795 . 6.000 4.230 3.844 4.609 . 0 0 "[ . 1 . 2]" 2
17 1 46 ALA MB 1 47 ALA H 2.455 . 3.208 2.312 2.198 2.398 . 0 0 "[ . 1 . 2]" 2
18 1 40 VAL MG2 1 47 ALA H 2.480 . 3.249 2.799 2.482 3.042 . 0 0 "[ . 1 . 2]" 2
19 1 47 ALA H 1 48 LEU H 2.538 . 3.157 2.545 2.473 2.656 . 0 0 "[ . 1 . 2]" 2
20 1 42 ASP HA 1 48 LEU H 3.014 . 4.149 4.170 3.959 4.261 0.112 3 0 "[ . 1 . 2]" 2
21 1 48 LEU H 1 48 LEU HA 2.388 . 3.101 2.714 2.674 2.761 . 0 0 "[ . 1 . 2]" 2
22 1 48 LEU H 1 49 ASP QB 3.301 . 6.000 5.253 5.154 5.326 . 0 0 "[ . 1 . 2]" 2
23 1 48 LEU H 1 48 LEU QB 2.412 . 3.139 2.124 1.947 2.317 . 0 0 "[ . 1 . 2]" 2
24 1 46 ALA MB 1 48 LEU H 3.163 . 4.413 4.482 4.350 4.590 0.177 20 0 "[ . 1 . 2]" 2
25 1 48 LEU H 1 48 LEU QD 2.708 . 3.624 3.125 1.997 3.437 . 0 0 "[ . 1 . 2]" 2
26 1 40 VAL MG2 1 48 LEU H 2.984 . 6.000 4.388 4.172 4.559 . 0 0 "[ . 1 . 2]" 2
27 1 49 ASP H 1 50 GLY H 2.509 . 3.296 2.083 1.951 2.176 . 0 0 "[ . 1 . 2]" 2
28 1 49 ASP H 1 49 ASP HA 2.446 . 3.194 2.926 2.917 2.931 . 0 0 "[ . 1 . 2]" 2
29 1 45 PRO HA 1 49 ASP H 3.101 . 4.303 3.110 2.862 3.388 . 0 0 "[ . 1 . 2]" 2
30 1 48 LEU HA 1 49 ASP H 2.396 . 6.000 3.546 3.524 3.565 . 0 0 "[ . 1 . 2]" 2
31 1 49 ASP H 1 49 ASP QB 2.398 . 3.041 2.354 2.324 2.385 . 0 0 "[ . 1 . 2]" 2
32 1 48 LEU HG 1 49 ASP H 2.390 . 6.000 2.877 1.534 4.023 . 0 0 "[ . 1 . 2]" 2
33 1 48 LEU QB 1 49 ASP H 2.625 . 3.486 2.377 1.674 3.201 0.090 18 0 "[ . 1 . 2]" 2
34 1 48 LEU QD 1 49 ASP H 2.452 . 3.204 2.379 1.463 2.820 0.237 20 0 "[ . 1 . 2]" 2
35 1 48 LEU H 1 49 ASP H 2.604 . 3.452 3.344 3.251 3.417 . 0 0 "[ . 1 . 2]" 2
36 1 50 GLY H 1 51 THR H 2.966 . 4.065 2.698 2.533 3.069 . 0 0 "[ . 1 . 2]" 2
37 1 51 THR H 1 51 THR HA 2.324 . 2.999 2.257 2.215 2.501 . 0 0 "[ . 1 . 2]" 2
38 1 51 THR H 1 51 THR MG 2.590 . 3.429 2.988 2.433 3.608 0.179 16 0 "[ . 1 . 2]" 2
39 1 51 THR H 1 52 VAL QG 3.014 . 4.150 3.524 3.340 3.913 . 0 0 "[ . 1 . 2]" 2
40 1 53 ALA H 1 53 ALA HA 2.844 . 3.855 2.891 2.873 2.904 . 0 0 "[ . 1 . 2]" 2
41 1 52 VAL HA 1 53 ALA H 2.482 . 3.252 2.452 2.343 2.611 . 0 0 "[ . 1 . 2]" 2
42 1 52 VAL HB 1 53 ALA H 2.611 . 6.000 4.297 4.210 4.532 . 0 0 "[ . 1 . 2]" 2
43 1 53 ALA H 1 53 ALA MB 2.545 . 3.355 2.278 2.250 2.293 . 0 0 "[ . 1 . 2]" 2
44 1 52 VAL QG 1 53 ALA H 2.783 . 3.751 3.599 3.566 3.620 . 0 0 "[ . 1 . 2]" 2
45 1 54 ALA H 1 54 ALA HA 2.787 . 3.758 2.757 2.726 2.789 . 0 0 "[ . 1 . 2]" 2
46 1 53 ALA MB 1 54 ALA H 2.267 . 2.910 2.087 1.919 2.296 . 0 0 "[ . 1 . 2]" 2
47 1 54 ALA H 1 54 ALA MB 2.186 . 2.783 2.178 2.111 2.219 . 0 0 "[ . 1 . 2]" 2
48 1 40 VAL MG1 1 54 ALA H 2.464 . 3.223 2.089 1.917 2.354 . 0 0 "[ . 1 . 2]" 2
49 1 56 ASP H 1 56 ASP HA 2.878 . 3.913 2.922 2.878 2.949 . 0 0 "[ . 1 . 2]" 2
50 1 54 ALA HA 1 56 ASP H 2.799 . 3.778 3.514 3.365 3.693 . 0 0 "[ . 1 . 2]" 2
51 1 55 GLY HA2 1 56 ASP H 3.063 . 4.235 3.362 3.088 3.495 . 0 0 "[ . 1 . 2]" 2
52 1 56 ASP H 1 56 ASP HB3 2.621 . 3.480 3.357 2.527 3.628 0.148 6 0 "[ . 1 . 2]" 2
53 1 56 ASP H 1 56 ASP HB2 2.740 . 3.678 2.395 2.189 2.803 . 0 0 "[ . 1 . 2]" 2
54 1 37 ILE HG13 1 56 ASP H 3.024 . 6.000 5.397 5.122 6.031 0.031 18 0 "[ . 1 . 2]" 2
55 1 37 ILE MG 1 56 ASP H 2.645 . 3.520 2.100 1.921 2.219 . 0 0 "[ . 1 . 2]" 2
56 1 37 ILE MD 1 56 ASP H 2.749 . 3.694 3.761 3.716 3.796 0.102 6 0 "[ . 1 . 2]" 2
57 1 37 ILE HB 1 56 ASP H 2.704 . 6.000 4.640 4.413 4.868 . 0 0 "[ . 1 . 2]" 2
58 1 53 ALA MB 1 56 ASP H 3.074 . 6.000 4.973 4.673 5.349 . 0 0 "[ . 1 . 2]" 2
59 1 37 ILE HG12 1 56 ASP H 3.009 . 6.000 5.935 5.275 6.051 0.051 11 0 "[ . 1 . 2]" 2
60 1 54 ALA H 1 56 ASP H 3.010 . 6.000 5.072 4.856 5.271 . 0 0 "[ . 1 . 2]" 2
61 1 56 ASP HB2 1 57 GLU H 2.813 . 3.802 3.852 3.326 4.100 0.298 19 0 "[ . 1 . 2]" 2
62 1 59 THR H 1 60 GLY H 2.725 . 3.438 2.132 1.802 2.525 . 0 0 "[ . 1 . 2]" 2
63 1 59 THR H 1 89 TYR HA 2.967 . 4.067 2.802 2.085 4.105 0.038 4 0 "[ . 1 . 2]" 2
64 1 59 THR H 1 59 THR HA 2.636 . 3.504 2.927 2.871 2.944 . 0 0 "[ . 1 . 2]" 2
65 1 59 THR H 1 59 THR MG 2.502 . 3.285 2.067 1.789 2.583 . 0 0 "[ . 1 . 2]" 2
66 1 58 ILE MG 1 59 THR H 2.761 . 3.714 2.861 2.343 3.387 . 0 0 "[ . 1 . 2]" 2
67 1 60 GLY H 1 60 GLY HA3 2.883 . 3.922 2.669 2.541 2.785 . 0 0 "[ . 1 . 2]" 2
68 1 59 THR HA 1 60 GLY H 2.660 . 3.545 3.420 3.293 3.524 . 0 0 "[ . 1 . 2]" 2
69 1 60 GLY H 1 60 GLY HA2 2.893 . 3.939 2.903 2.836 2.947 . 0 0 "[ . 1 . 2]" 2
70 1 60 GLY H 1 88 HIS HB3 2.806 . 3.790 3.435 2.344 3.837 0.047 13 0 "[ . 1 . 2]" 2
71 1 60 GLY H 1 88 HIS HB2 2.778 . 3.743 3.277 2.361 3.816 0.073 15 0 "[ . 1 . 2]" 2
72 1 59 THR MG 1 60 GLY H 2.374 . 3.079 2.704 2.262 3.087 0.008 18 0 "[ . 1 . 2]" 2
73 1 60 GLY H 1 66 ILE MD 2.482 . 6.000 3.830 3.109 4.439 . 0 0 "[ . 1 . 2]" 2
74 1 60 GLY H 1 88 HIS H 2.998 . 4.122 3.356 3.074 3.832 . 0 0 "[ . 1 . 2]" 2
75 1 61 VAL H 1 64 ARG H 2.843 . 3.853 3.524 3.224 3.813 . 0 0 "[ . 1 . 2]" 2
76 1 61 VAL H 1 66 ILE H 3.106 . 4.312 3.964 3.473 4.336 0.024 17 0 "[ . 1 . 2]" 2
77 1 60 GLY HA3 1 61 VAL H 2.535 . 3.339 2.939 2.736 3.110 . 0 0 "[ . 1 . 2]" 2
78 1 61 VAL H 1 65 SER HA 2.786 . 3.756 3.498 3.199 3.764 0.008 10 0 "[ . 1 . 2]" 2
79 1 60 GLY HA2 1 61 VAL H 2.631 . 3.496 2.170 2.089 2.331 . 0 0 "[ . 1 . 2]" 2
80 1 61 VAL H 1 61 VAL HB 2.724 . 3.651 3.420 3.183 3.747 0.096 10 0 "[ . 1 . 2]" 2
81 1 61 VAL H 1 61 VAL QG 2.319 . 2.991 1.848 1.663 2.086 . 0 0 "[ . 1 . 2]" 2
82 1 64 ARG H 1 64 ARG HA 2.620 . 3.478 2.911 2.895 2.930 . 0 0 "[ . 1 . 2]" 2
83 1 63 GLY HA3 1 64 ARG H 2.768 . 3.726 3.132 3.085 3.229 . 0 0 "[ . 1 . 2]" 2
84 1 63 GLY HA2 1 64 ARG H 3.142 . 4.376 3.472 3.383 3.514 . 0 0 "[ . 1 . 2]" 2
85 1 64 ARG H 1 64 ARG HB3 2.338 . 3.021 3.082 2.893 3.309 0.288 12 0 "[ . 1 . 2]" 2
86 1 64 ARG H 1 64 ARG HG3 2.504 . 3.288 2.822 2.366 3.284 . 0 0 "[ . 1 . 2]" 2
87 1 61 VAL QG 1 64 ARG H 2.784 . 3.753 3.412 3.306 3.634 . 0 0 "[ . 1 . 2]" 2
88 1 66 ILE H 1 66 ILE HA 2.435 . 3.176 2.906 2.879 2.960 . 0 0 "[ . 1 . 2]" 2
89 1 65 SER HB3 1 66 ILE H 2.904 . 3.958 3.087 2.715 3.984 0.026 4 0 "[ . 1 . 2]" 2
90 1 60 GLY HA2 1 66 ILE H 3.029 . 4.176 2.584 2.045 2.941 . 0 0 "[ . 1 . 2]" 2
91 1 66 ILE H 1 67 LYS HB3 3.085 . 4.275 4.416 4.301 4.496 0.221 12 0 "[ . 1 . 2]" 2
92 1 66 ILE H 1 66 ILE HG13 2.715 . 6.000 3.735 1.795 4.060 . 0 0 "[ . 1 . 2]" 2
93 1 66 ILE H 1 66 ILE MD 2.315 . 2.985 1.823 1.637 2.114 0.008 14 0 "[ . 1 . 2]" 2
94 1 66 ILE H 1 67 LYS H 2.820 . 3.814 2.212 1.896 2.316 . 0 0 "[ . 1 . 2]" 2
95 1 66 ILE HA 1 67 LYS H 2.949 . 4.036 3.338 3.146 3.459 . 0 0 "[ . 1 . 2]" 2
96 1 67 LYS H 1 67 LYS HA 2.842 . 3.852 2.810 2.771 2.864 . 0 0 "[ . 1 . 2]" 2
97 1 67 LYS H 1 67 LYS HB2 2.606 . 3.455 2.458 2.042 2.713 . 0 0 "[ . 1 . 2]" 2
98 1 67 LYS H 1 67 LYS HB3 2.529 . 3.328 2.457 2.319 2.848 . 0 0 "[ . 1 . 2]" 2
99 1 67 LYS H 1 67 LYS HG3 2.951 . 6.000 4.425 4.313 4.473 . 0 0 "[ . 1 . 2]" 2
100 1 66 ILE MG 1 67 LYS H 2.839 . 3.846 3.831 3.653 4.101 0.255 3 0 "[ . 1 . 2]" 2
101 1 69 LYS H 1 70 THR HA 2.718 . 6.000 4.745 4.424 5.210 . 0 0 "[ . 1 . 2]" 2
102 1 68 GLY HA3 1 69 LYS H 2.933 . 4.009 3.097 2.977 3.213 . 0 0 "[ . 1 . 2]" 2
103 1 69 LYS H 1 69 LYS HA 2.887 . 3.929 2.934 2.913 2.961 . 0 0 "[ . 1 . 2]" 2
104 1 68 GLY HA2 1 69 LYS H 2.930 . 4.003 3.483 3.417 3.567 . 0 0 "[ . 1 . 2]" 2
105 1 66 ILE HB 1 69 LYS H 3.253 . 4.576 4.712 4.577 4.819 0.243 15 0 "[ . 1 . 2]" 2
106 1 69 LYS H 1 69 LYS HB3 2.549 . 3.361 3.328 2.461 3.823 0.462 9 0 "[ . 1 . 2]" 2
107 1 69 LYS H 1 69 LYS HB2 2.620 . 6.000 3.683 2.605 3.942 . 0 0 "[ . 1 . 2]" 2
108 1 69 LYS H 1 69 LYS HD3 2.845 . 3.857 3.097 1.770 3.461 0.063 5 0 "[ . 1 . 2]" 2
109 1 69 LYS H 1 69 LYS HD2 2.472 . 3.236 1.908 1.726 3.318 0.082 5 0 "[ . 1 . 2]" 2
110 1 69 LYS H 1 74 VAL MG2 2.895 . 6.000 5.863 3.443 6.090 0.090 7 0 "[ . 1 . 2]" 2
111 1 69 LYS H 1 74 VAL MG1 2.746 . 6.000 3.954 3.503 6.020 0.020 15 0 "[ . 1 . 2]" 2
112 1 70 THR H 1 70 THR HA 2.380 . 3.088 2.906 2.773 2.944 . 0 0 "[ . 1 . 2]" 2
113 1 70 THR H 1 73 GLU HB3 2.822 . 3.817 3.763 3.490 3.878 0.061 15 0 "[ . 1 . 2]" 2
114 1 69 LYS HB3 1 70 THR H 2.638 . 3.508 3.105 1.798 3.386 . 0 0 "[ . 1 . 2]" 2
115 1 69 LYS HB2 1 70 THR H 2.809 . 3.795 1.904 1.719 2.027 0.104 18 0 "[ . 1 . 2]" 2
116 1 69 LYS HD3 1 70 THR H 2.445 . 6.000 4.147 3.288 4.254 . 0 0 "[ . 1 . 2]" 2
117 1 69 LYS HD2 1 70 THR H 2.952 . 4.042 4.060 3.799 4.318 0.276 9 0 "[ . 1 . 2]" 2
118 1 70 THR H 1 74 VAL MG2 3.137 . 4.367 4.323 2.465 4.571 0.204 19 0 "[ . 1 . 2]" 2
119 1 70 THR H 1 73 GLU H 3.168 . 4.423 3.660 3.427 3.938 . 0 0 "[ . 1 . 2]" 2
120 1 70 THR HA 1 71 LYS H 2.866 . 3.893 2.363 2.185 2.534 . 0 0 "[ . 1 . 2]" 2
121 1 71 LYS H 1 71 LYS QB 3.149 . 4.389 2.867 2.747 2.946 . 0 0 "[ . 1 . 2]" 2
122 1 71 LYS H 1 71 LYS HD3 3.110 . 4.319 4.182 3.974 4.411 0.092 6 0 "[ . 1 . 2]" 2
123 1 71 LYS H 1 71 LYS HG3 3.019 . 4.158 2.035 1.853 2.435 0.027 10 0 "[ . 1 . 2]" 2
124 1 71 LYS H 1 74 VAL MG1 2.990 . 4.108 4.257 4.077 4.563 0.455 19 0 "[ . 1 . 2]" 2
125 1 71 LYS HG3 1 72 VAL H 2.856 . 3.876 2.680 2.011 3.475 . 0 0 "[ . 1 . 2]" 2
126 1 72 VAL H 1 73 GLU HA 3.065 . 6.000 5.347 5.298 5.404 . 0 0 "[ . 1 . 2]" 2
127 1 71 LYS HA 1 72 VAL H 3.030 . 4.178 3.561 3.518 3.606 . 0 0 "[ . 1 . 2]" 2
128 1 72 VAL H 1 72 VAL HA 2.733 . 3.666 2.749 2.719 2.783 . 0 0 "[ . 1 . 2]" 2
129 1 72 VAL H 1 72 VAL HB 2.391 . 3.106 2.555 2.456 3.213 0.107 4 0 "[ . 1 . 2]" 2
130 1 71 LYS QB 1 72 VAL H 2.830 . 3.831 2.481 2.115 2.931 . 0 0 "[ . 1 . 2]" 2
131 1 71 LYS HG2 1 72 VAL H 2.934 . 4.010 3.925 3.458 4.127 0.117 19 0 "[ . 1 . 2]" 2
132 1 72 VAL H 1 72 VAL MG1 2.448 . 3.197 1.989 1.828 3.367 0.170 4 0 "[ . 1 . 2]" 2
133 1 72 VAL H 1 72 VAL MG2 2.600 . 6.000 3.588 1.674 3.703 . 0 0 "[ . 1 . 2]" 2
134 1 71 LYS H 1 72 VAL H 3.270 . 4.607 3.059 2.952 3.260 . 0 0 "[ . 1 . 2]" 2
135 1 73 GLU H 1 73 GLU HA 2.712 . 3.632 2.852 2.756 2.925 . 0 0 "[ . 1 . 2]" 2
136 1 72 VAL HA 1 73 GLU H 2.980 . 4.090 3.509 3.469 3.533 . 0 0 "[ . 1 . 2]" 2
137 1 73 GLU H 1 73 GLU HG2 2.469 . 3.231 3.286 3.247 3.321 0.090 15 0 "[ . 1 . 2]" 2
138 1 73 GLU H 1 73 GLU HG3 2.729 . 3.660 2.213 2.077 2.418 . 0 0 "[ . 1 . 2]" 2
139 1 73 GLU H 1 73 GLU HB2 2.478 . 3.246 2.506 2.415 2.564 . 0 0 "[ . 1 . 2]" 2
140 1 71 LYS QB 1 73 GLU H 2.883 . 6.000 4.628 4.341 4.887 . 0 0 "[ . 1 . 2]" 2
141 1 71 LYS HG2 1 73 GLU H 2.848 . 6.000 5.801 5.575 5.996 . 0 0 "[ . 1 . 2]" 2
142 1 72 VAL MG1 1 73 GLU H 2.917 . 3.981 2.220 2.032 3.737 . 0 0 "[ . 1 . 2]" 2
143 1 72 VAL MG2 1 73 GLU H 2.597 . 3.440 3.445 2.365 3.597 0.157 15 0 "[ . 1 . 2]" 2
144 1 73 GLU H 1 74 VAL H 2.813 . 3.531 2.513 1.885 2.720 . 0 0 "[ . 1 . 2]" 2
145 1 97 LYS H 1 98 GLN H 2.486 . 3.259 2.775 2.675 2.851 . 0 0 "[ . 1 . 2]" 2
146 1 97 LYS H 1 97 LYS HB3 2.212 . 2.824 2.605 2.571 2.685 . 0 0 "[ . 1 . 2]" 2
147 1 97 LYS H 1 99 LEU HB3 2.833 . 6.000 4.681 4.468 4.902 . 0 0 "[ . 1 . 2]" 2
148 1 89 TYR HA 1 90 ASN H 2.817 . 3.809 2.590 2.133 3.485 . 0 0 "[ . 1 . 2]" 2
149 1 90 ASN H 1 91 LYS HE2 2.946 . 6.000 5.628 4.529 6.171 0.171 1 0 "[ . 1 . 2]" 2
150 1 90 ASN H 1 90 ASN QB 2.989 . 3.618 2.904 2.620 3.215 . 0 0 "[ . 1 . 2]" 2
151 1 59 THR MG 1 90 ASN H 2.916 . 3.979 3.718 3.186 4.140 0.161 15 0 "[ . 1 . 2]" 2
152 1 12 THR H 1 12 THR HB 2.604 . 3.452 3.176 2.980 3.658 0.206 12 0 "[ . 1 . 2]" 2
153 1 11 VAL HB 1 12 THR H 3.109 . 4.318 2.993 2.457 4.137 . 0 0 "[ . 1 . 2]" 2
154 1 12 THR H 1 12 THR MG 2.463 . 3.221 2.166 1.936 2.977 . 0 0 "[ . 1 . 2]" 2
155 1 12 THR H 1 13 LEU MD2 2.969 . 4.071 3.571 2.865 4.102 0.031 1 0 "[ . 1 . 2]" 2
156 1 84 GLU H 1 84 GLU HA 2.638 . 3.508 2.912 2.876 2.935 . 0 0 "[ . 1 . 2]" 2
157 1 83 GLY HA2 1 84 GLU H 2.268 . 6.000 3.544 3.441 3.588 . 0 0 "[ . 1 . 2]" 2
158 1 83 GLY HA3 1 84 GLU H 2.429 . 3.167 2.869 2.684 3.092 . 0 0 "[ . 1 . 2]" 2
159 1 84 GLU H 1 84 GLU HG2 2.324 . 2.999 2.402 2.142 2.567 . 0 0 "[ . 1 . 2]" 2
160 1 84 GLU H 1 84 GLU HB3 2.444 . 3.191 3.109 2.890 3.273 0.082 14 0 "[ . 1 . 2]" 2
161 1 84 GLU H 1 84 GLU HB2 2.434 . 6.000 3.848 3.754 3.916 . 0 0 "[ . 1 . 2]" 2
162 1 15 LYS QD 1 84 GLU H 2.902 . 3.954 3.998 3.907 4.089 0.135 12 0 "[ . 1 . 2]" 2
163 1 81 VAL QG 1 84 GLU H 2.524 . 3.320 3.135 2.659 3.363 0.043 14 0 "[ . 1 . 2]" 2
164 1 84 GLU H 1 85 VAL H 3.108 . 4.273 4.331 4.288 4.373 0.100 13 0 "[ . 1 . 2]" 2
165 1 80 GLU HA 1 81 VAL H 2.841 . 3.850 3.529 3.439 3.564 . 0 0 "[ . 1 . 2]" 2
166 1 81 VAL H 1 81 VAL HA 2.592 . 3.432 2.778 2.659 2.865 . 0 0 "[ . 1 . 2]" 2
167 1 80 GLU HG3 1 81 VAL H 2.999 . 4.124 3.943 3.228 4.358 0.234 13 0 "[ . 1 . 2]" 2
168 1 80 GLU HB3 1 81 VAL H 2.722 . 3.648 2.384 2.273 2.597 . 0 0 "[ . 1 . 2]" 2
169 1 81 VAL H 1 81 VAL HB 2.320 . 6.000 3.631 3.492 3.673 . 0 0 "[ . 1 . 2]" 2
170 1 81 VAL H 1 81 VAL QG 2.287 . 2.941 1.851 1.714 1.916 . 0 0 "[ . 1 . 2]" 2
171 1 80 GLU H 1 81 VAL H 2.667 . 3.407 2.694 2.141 2.823 . 0 0 "[ . 1 . 2]" 2
172 1 73 GLU HA 1 76 LYS H 2.547 . 3.358 3.388 3.338 3.438 0.080 11 0 "[ . 1 . 2]" 2
173 1 76 LYS H 1 76 LYS HA 2.611 . 3.463 2.814 2.796 2.836 . 0 0 "[ . 1 . 2]" 2
174 1 74 VAL HA 1 76 LYS H 3.083 . 4.271 4.145 3.931 4.284 0.013 13 0 "[ . 1 . 2]" 2
175 1 76 LYS H 1 76 LYS HB2 2.154 . 2.734 2.609 2.528 2.672 . 0 0 "[ . 1 . 2]" 2
176 1 76 LYS H 1 76 LYS QD 2.974 . 6.000 4.532 4.342 4.740 . 0 0 "[ . 1 . 2]" 2
177 1 76 LYS H 1 116 VAL QG 2.860 . 6.000 4.675 4.366 4.952 . 0 0 "[ . 1 . 2]" 2
178 1 75 ALA H 1 76 LYS H 2.786 . 3.745 2.759 2.498 2.890 . 0 0 "[ . 1 . 2]" 2
179 1 104 GLN HB3 1 105 GLY H 3.103 . 4.307 3.312 1.923 4.406 0.099 3 0 "[ . 1 . 2]" 2
180 1 104 GLN HA 1 105 GLY H 2.973 . 4.078 3.055 2.070 3.606 . 0 0 "[ . 1 . 2]" 2
181 1 105 GLY H 1 105 GLY HA3 2.978 . 4.087 2.780 2.374 2.958 . 0 0 "[ . 1 . 2]" 2
182 1 104 GLN HB2 1 105 GLY H 3.054 . 4.220 3.821 1.933 4.424 0.204 1 0 "[ . 1 . 2]" 2
183 1 75 ALA HA 1 78 ILE H 2.718 . 3.641 3.491 3.398 3.619 . 0 0 "[ . 1 . 2]" 2
184 1 78 ILE H 1 78 ILE HA 2.669 . 3.559 2.822 2.771 2.901 . 0 0 "[ . 1 . 2]" 2
185 1 77 MET HB2 1 78 ILE H 2.694 . 3.601 2.553 2.288 2.740 . 0 0 "[ . 1 . 2]" 2
186 1 78 ILE H 1 78 ILE HB 2.373 . 3.077 2.332 2.207 2.422 . 0 0 "[ . 1 . 2]" 2
187 1 75 ALA MB 1 78 ILE H 3.042 . 6.000 4.594 4.420 4.713 . 0 0 "[ . 1 . 2]" 2
188 1 78 ILE H 1 78 ILE MG 2.674 . 6.000 3.711 3.648 3.743 . 0 0 "[ . 1 . 2]" 2
189 1 78 ILE H 1 78 ILE HG13 2.253 . 2.887 2.795 2.338 3.751 0.864 7 6 "[ . + * * *-*]" 2
190 1 77 MET QG 1 78 ILE H 2.669 . 6.000 4.028 3.912 4.170 . 0 0 "[ . 1 . 2]" 2
191 1 78 ILE H 1 79 GLN H 2.793 . 3.498 2.725 2.297 2.944 . 0 0 "[ . 1 . 2]" 2
192 1 71 LYS HA 1 74 VAL H 2.984 . 4.097 3.543 3.311 3.814 . 0 0 "[ . 1 . 2]" 2
193 1 74 VAL H 1 75 ALA MB 2.887 . 6.000 4.281 4.163 4.548 . 0 0 "[ . 1 . 2]" 2
194 1 74 VAL H 1 76 LYS H 3.147 . 4.385 3.875 3.542 4.218 . 0 0 "[ . 1 . 2]" 2
195 1 74 VAL H 1 74 VAL HA 2.777 . 3.741 2.833 2.777 2.862 . 0 0 "[ . 1 . 2]" 2
196 1 73 GLU HB3 1 74 VAL H 2.814 . 3.804 3.789 3.597 3.880 0.076 15 0 "[ . 1 . 2]" 2
197 1 73 GLU HG3 1 74 VAL H 3.121 . 4.339 4.206 3.872 4.358 0.019 4 0 "[ . 1 . 2]" 2
198 1 74 VAL H 1 74 VAL HB 2.408 . 6.000 3.555 1.876 3.675 . 0 0 "[ . 1 . 2]" 2
199 1 73 GLU HB2 1 74 VAL H 2.958 . 4.051 2.706 2.464 2.882 . 0 0 "[ . 1 . 2]" 2
200 1 69 LYS HG2 1 74 VAL H 3.070 . 4.248 3.752 3.224 4.359 0.111 2 0 "[ . 1 . 2]" 2
201 1 74 VAL H 1 74 VAL MG2 2.383 . 3.093 2.138 1.935 3.088 . 0 0 "[ . 1 . 2]" 2
202 1 74 VAL H 1 74 VAL MG1 2.395 . 3.112 2.276 1.975 3.114 0.002 15 0 "[ . 1 . 2]" 2
203 1 115 LYS H 1 116 VAL H 3.167 . 4.421 3.955 3.242 4.355 . 0 0 "[ . 1 . 2]" 2
204 1 24 SER HG 1 116 VAL H 2.870 . 3.900 3.896 3.695 4.005 0.105 12 0 "[ . 1 . 2]" 2
205 1 21 ILE HB 1 116 VAL H 3.013 . 6.000 5.979 5.745 6.073 0.073 7 0 "[ . 1 . 2]" 2
206 1 75 ALA MB 1 116 VAL H 2.930 . 6.000 4.541 4.195 4.922 . 0 0 "[ . 1 . 2]" 2
207 1 23 ILE HG13 1 116 VAL H 2.872 . 3.903 3.322 3.028 3.610 . 0 0 "[ . 1 . 2]" 2
208 1 116 VAL H 1 116 VAL QG 2.856 . 3.876 2.483 2.205 2.787 . 0 0 "[ . 1 . 2]" 2
209 1 23 ILE MD 1 116 VAL H 3.040 . 4.195 2.207 1.884 2.564 0.001 1 0 "[ . 1 . 2]" 2
210 1 75 ALA H 1 75 ALA HA 2.715 . 3.637 2.796 2.763 2.858 . 0 0 "[ . 1 . 2]" 2
211 1 72 VAL HA 1 75 ALA H 2.959 . 4.053 4.060 3.840 4.133 0.080 9 0 "[ . 1 . 2]" 2
212 1 74 VAL HB 1 75 ALA H 2.614 . 3.468 3.582 3.015 3.647 0.179 9 0 "[ . 1 . 2]" 2
213 1 75 ALA H 1 75 ALA MB 2.316 . 2.987 2.254 2.237 2.274 . 0 0 "[ . 1 . 2]" 2
214 1 75 ALA H 1 116 VAL QG 2.650 . 6.000 4.156 3.902 4.465 . 0 0 "[ . 1 . 2]" 2
215 1 100 GLU H 1 101 VAL H 2.692 . 3.223 2.528 2.454 2.622 . 0 0 "[ . 1 . 2]" 2
216 1 77 MET H 1 79 GLN H 3.164 . 4.415 4.328 3.875 4.496 0.081 5 0 "[ . 1 . 2]" 2
217 1 79 GLN H 1 79 GLN QG 2.762 . 3.715 2.260 1.838 2.474 . 0 0 "[ . 1 . 2]" 2
218 1 79 GLN H 1 79 GLN QB 2.619 . 3.460 2.422 2.294 2.624 . 0 0 "[ . 1 . 2]" 2
219 1 78 ILE HB 1 79 GLN H 2.655 . 3.536 2.661 2.404 3.130 . 0 0 "[ . 1 . 2]" 2
220 1 79 GLN H 1 79 GLN HA 2.695 . 3.603 2.848 2.800 2.901 . 0 0 "[ . 1 . 2]" 2
221 1 79 GLN H 1 116 VAL QG 2.643 . 3.516 3.182 2.689 3.472 . 0 0 "[ . 1 . 2]" 2
222 1 98 GLN H 1 99 LEU HB3 3.085 . 4.275 4.344 4.133 4.419 0.144 13 0 "[ . 1 . 2]" 2
223 1 98 GLN H 1 98 GLN HA 2.487 . 3.260 2.876 2.849 2.896 . 0 0 "[ . 1 . 2]" 2
224 1 98 GLN H 1 98 GLN HG3 2.888 . 3.931 3.689 2.625 3.948 0.017 9 0 "[ . 1 . 2]" 2
225 1 98 GLN H 1 98 GLN HG2 2.816 . 3.807 2.731 2.001 3.880 0.073 18 0 "[ . 1 . 2]" 2
226 1 98 GLN H 1 98 GLN HB2 2.591 . 3.430 2.433 2.187 3.570 0.140 15 0 "[ . 1 . 2]" 2
227 1 98 GLN H 1 98 GLN HB3 2.489 . 6.000 3.363 2.476 3.521 . 0 0 "[ . 1 . 2]" 2
228 1 97 LYS HB3 1 98 GLN H 2.540 . 6.000 3.861 3.818 3.889 . 0 0 "[ . 1 . 2]" 2
229 1 98 GLN H 1 99 LEU HB2 2.834 . 6.000 4.311 4.143 4.662 . 0 0 "[ . 1 . 2]" 2
230 1 94 ALA MB 1 98 GLN H 3.152 . 4.394 4.236 3.909 4.499 0.105 16 0 "[ . 1 . 2]" 2
231 1 80 GLU H 1 80 GLU HA 2.281 . 2.931 2.817 2.782 2.906 . 0 0 "[ . 1 . 2]" 2
232 1 80 GLU H 1 80 GLU HG3 2.278 . 6.000 4.422 4.283 4.503 . 0 0 "[ . 1 . 2]" 2
233 1 80 GLU H 1 80 GLU HB3 2.107 . 2.662 2.381 2.238 2.543 . 0 0 "[ . 1 . 2]" 2
234 1 76 LYS HG2 1 80 GLU H 3.111 . 4.321 4.321 4.159 4.420 0.099 13 0 "[ . 1 . 2]" 2
235 1 80 GLU H 1 81 VAL QG 2.939 . 4.019 3.494 2.606 3.629 . 0 0 "[ . 1 . 2]" 2
236 1 78 ILE HG13 1 80 GLU H 2.996 . 6.000 6.179 5.656 6.956 0.956 19 6 "[ . * - * *+*]" 2
237 1 79 GLN H 1 80 GLU H 2.701 . 3.613 2.511 2.321 2.680 . 0 0 "[ . 1 . 2]" 2
238 1 92 LEU H 1 92 LEU QB 2.758 . 6.000 3.097 2.318 3.457 . 0 0 "[ . 1 . 2]" 2
239 1 100 GLU HA 1 101 VAL H 2.814 . 3.804 3.474 3.428 3.518 . 0 0 "[ . 1 . 2]" 2
240 1 101 VAL H 1 101 VAL HA 2.736 . 3.672 2.824 2.785 2.875 . 0 0 "[ . 1 . 2]" 2
241 1 101 VAL H 1 101 VAL HB 2.235 . 2.859 2.444 2.354 2.547 . 0 0 "[ . 1 . 2]" 2
242 1 101 VAL H 1 101 VAL MG2 2.378 . 6.000 2.458 2.060 3.724 . 0 0 "[ . 1 . 2]" 2
243 1 81 VAL HA 1 82 LYS H 2.885 . 3.926 3.116 2.117 3.534 . 0 0 "[ . 1 . 2]" 2
244 1 40 VAL HB 1 41 PHE H 2.858 . 3.879 3.946 3.929 3.961 0.082 15 0 "[ . 1 . 2]" 2
245 1 95 ASP H 1 95 ASP HA 2.292 . 2.949 2.927 2.752 2.963 0.014 19 0 "[ . 1 . 2]" 2
246 1 95 ASP H 1 99 LEU HA 3.001 . 4.127 4.073 3.747 4.248 0.121 19 0 "[ . 1 . 2]" 2
247 1 95 ASP H 1 95 ASP QB 2.439 . 3.183 2.647 2.488 2.970 . 0 0 "[ . 1 . 2]" 2
248 1 95 ASP H 1 98 GLN HB3 2.872 . 3.903 3.486 3.029 4.103 0.200 10 0 "[ . 1 . 2]" 2
249 1 94 ALA MB 1 95 ASP H 2.490 . 3.265 2.103 1.758 2.562 . 0 0 "[ . 1 . 2]" 2
250 1 95 ASP H 1 98 GLN H 3.066 . 4.241 3.233 2.627 3.651 . 0 0 "[ . 1 . 2]" 2
251 1 58 ILE H 1 58 ILE HB 2.594 . 3.435 2.624 2.356 2.898 . 0 0 "[ . 1 . 2]" 2
252 1 58 ILE H 1 58 ILE HG13 2.727 . 3.656 3.644 2.491 4.096 0.440 20 0 "[ . 1 . 2]" 2
253 1 58 ILE H 1 58 ILE MD 2.911 . 3.970 2.985 1.966 4.027 0.057 19 0 "[ . 1 . 2]" 2
254 1 85 VAL H 1 85 VAL HA 2.353 . 3.045 2.898 2.852 2.941 . 0 0 "[ . 1 . 2]" 2
255 1 14 GLN HA 1 85 VAL H 2.777 . 3.741 3.030 2.513 3.350 . 0 0 "[ . 1 . 2]" 2
256 1 84 GLU HG3 1 85 VAL H 2.877 . 3.911 3.075 2.948 3.940 0.029 14 0 "[ . 1 . 2]" 2
257 1 85 VAL H 1 85 VAL HB 2.471 . 6.000 3.732 2.623 4.028 . 0 0 "[ . 1 . 2]" 2
258 1 84 GLU HB2 1 85 VAL H 2.670 . 3.561 2.172 2.050 2.782 . 0 0 "[ . 1 . 2]" 2
259 1 85 VAL H 1 85 VAL QG 2.351 . 3.042 2.555 2.293 3.115 0.073 1 0 "[ . 1 . 2]" 2
260 1 21 ILE MG 1 85 VAL H 2.752 . 6.000 5.205 4.981 5.642 . 0 0 "[ . 1 . 2]" 2
261 1 88 HIS HA 1 89 TYR H 2.482 . 3.252 2.159 2.097 2.211 . 0 0 "[ . 1 . 2]" 2
262 1 88 HIS HB3 1 89 TYR H 2.798 . 3.777 3.594 3.213 3.896 0.119 15 0 "[ . 1 . 2]" 2
263 1 87 ILE MG 1 89 TYR H 2.556 . 6.000 5.883 5.368 6.098 0.098 19 0 "[ . 1 . 2]" 2
264 1 102 LEU HA 1 103 PHE H 2.829 . 3.830 3.420 3.226 3.492 . 0 0 "[ . 1 . 2]" 2
265 1 103 PHE H 1 103 PHE HB3 2.832 . 3.834 2.587 2.443 2.722 . 0 0 "[ . 1 . 2]" 2
266 1 103 PHE H 1 103 PHE HB2 2.650 . 3.528 2.513 2.172 2.826 . 0 0 "[ . 1 . 2]" 2
267 1 101 VAL HB 1 103 PHE H 3.134 . 6.000 4.800 4.404 5.523 . 0 0 "[ . 1 . 2]" 2
268 1 102 LEU HB3 1 103 PHE H 2.803 . 3.785 3.444 2.739 4.028 0.243 9 0 "[ . 1 . 2]" 2
269 1 102 LEU HB2 1 103 PHE H 2.930 . 4.003 3.430 2.879 3.951 . 0 0 "[ . 1 . 2]" 2
270 1 99 LEU MD2 1 103 PHE H 3.034 . 4.185 4.153 3.906 4.245 0.060 20 0 "[ . 1 . 2]" 2
271 1 90 ASN HA 1 91 LYS H 2.577 . 3.407 2.568 2.213 2.826 . 0 0 "[ . 1 . 2]" 2
272 1 90 ASN QB 1 91 LYS H 3.136 . 4.366 2.442 1.817 3.545 0.089 13 0 "[ . 1 . 2]" 2
273 1 91 LYS H 1 91 LYS HB2 2.845 . 3.857 2.572 2.270 2.922 . 0 0 "[ . 1 . 2]" 2
274 1 91 LYS H 1 91 LYS HD3 3.092 . 4.287 4.089 3.402 4.498 0.211 9 0 "[ . 1 . 2]" 2
275 1 41 PHE H 1 41 PHE QE 3.006 . 6.000 4.697 4.517 4.870 . 0 0 "[ . 1 . 2]" 2
276 1 41 PHE H 1 41 PHE QD 3.078 . 4.262 2.863 2.268 3.401 . 0 0 "[ . 1 . 2]" 2
277 1 23 ILE HA 1 41 PHE H 3.039 . 4.194 3.926 3.626 4.163 . 0 0 "[ . 1 . 2]" 2
278 1 40 VAL HA 1 41 PHE H 2.487 . 3.260 2.388 2.367 2.417 . 0 0 "[ . 1 . 2]" 2
279 1 41 PHE H 1 41 PHE HA 2.933 . 4.009 2.920 2.907 2.930 . 0 0 "[ . 1 . 2]" 2
280 1 41 PHE H 1 41 PHE HB3 2.781 . 3.747 3.689 3.626 3.772 0.025 4 0 "[ . 1 . 2]" 2
281 1 41 PHE H 1 41 PHE HB2 2.756 . 3.705 2.531 2.395 2.715 . 0 0 "[ . 1 . 2]" 2
282 1 41 PHE H 1 44 THR MG 2.808 . 3.794 3.382 2.894 3.754 . 0 0 "[ . 1 . 2]" 2
283 1 41 PHE H 1 46 ALA MB 3.092 . 4.287 4.235 4.041 4.334 0.047 14 0 "[ . 1 . 2]" 2
284 1 40 VAL MG2 1 41 PHE H 2.467 . 3.228 1.817 1.722 1.909 . 0 0 "[ . 1 . 2]" 2
285 1 87 ILE H 1 87 ILE HA 2.826 . 3.824 2.930 2.904 2.946 . 0 0 "[ . 1 . 2]" 2
286 1 87 ILE H 1 87 ILE MG 2.811 . 3.798 3.249 3.040 3.469 . 0 0 "[ . 1 . 2]" 2
287 1 87 ILE H 1 87 ILE MD 2.775 . 3.738 1.826 1.792 2.128 0.020 20 0 "[ . 1 . 2]" 2
288 1 14 GLN HA 1 83 GLY H 2.598 . 6.000 5.842 5.501 6.082 0.082 12 0 "[ . 1 . 2]" 2
289 1 83 GLY H 1 83 GLY HA2 2.658 . 3.541 2.382 2.337 2.477 . 0 0 "[ . 1 . 2]" 2
290 1 83 GLY H 1 83 GLY HA3 2.683 . 3.583 2.929 2.909 2.958 . 0 0 "[ . 1 . 2]" 2
291 1 15 LYS HB2 1 83 GLY H 2.830 . 3.831 3.270 3.035 3.720 . 0 0 "[ . 1 . 2]" 2
292 1 101 VAL H 1 102 LEU H 2.807 . 3.792 2.577 2.412 2.745 . 0 0 "[ . 1 . 2]" 2
293 1 102 LEU H 1 102 LEU HA 2.824 . 3.821 2.868 2.841 2.889 . 0 0 "[ . 1 . 2]" 2
294 1 99 LEU HA 1 102 LEU H 3.011 . 4.144 3.387 3.106 3.874 . 0 0 "[ . 1 . 2]" 2
295 1 101 VAL HA 1 102 LEU H 3.056 . 4.223 3.508 3.449 3.544 . 0 0 "[ . 1 . 2]" 2
296 1 101 VAL HB 1 102 LEU H 2.748 . 3.692 2.829 2.463 3.774 0.082 10 0 "[ . 1 . 2]" 2
297 1 102 LEU H 1 102 LEU HB3 2.595 . 3.437 3.136 2.473 3.572 0.135 8 0 "[ . 1 . 2]" 2
298 1 102 LEU H 1 102 LEU HB2 2.787 . 3.758 2.365 2.161 2.520 . 0 0 "[ . 1 . 2]" 2
299 1 101 VAL MG1 1 102 LEU H 2.810 . 3.797 3.130 2.056 3.643 . 0 0 "[ . 1 . 2]" 2
300 1 99 LEU MD2 1 102 LEU H 2.907 . 6.000 4.238 3.821 4.782 . 0 0 "[ . 1 . 2]" 2
301 1 62 ASN HB3 1 62 ASN HD22 2.787 . 3.758 3.729 3.467 4.042 0.284 17 0 "[ . 1 . 2]" 2
302 1 62 ASN HB2 1 62 ASN HD22 2.746 . 3.689 3.614 3.432 3.802 0.113 20 0 "[ . 1 . 2]" 2
303 1 62 ASN HD22 1 81 VAL QG 3.085 . 3.579 2.352 1.874 3.059 0.021 19 0 "[ . 1 . 2]" 2
304 1 114 LEU HB3 1 115 LYS H 2.851 . 3.867 3.583 2.078 4.054 0.187 9 0 "[ . 1 . 2]" 2
305 1 86 THR H 1 86 THR HB 2.766 . 3.722 3.087 2.779 3.758 0.036 12 0 "[ . 1 . 2]" 2
306 1 86 THR H 1 86 THR MG 2.846 . 6.000 3.825 3.208 3.988 . 0 0 "[ . 1 . 2]" 2
307 1 86 THR H 1 87 ILE MD 2.980 . 4.090 3.784 3.537 4.015 . 0 0 "[ . 1 . 2]" 2
308 1 19 ASN HB3 1 19 ASN HD21 2.705 . 3.619 2.615 2.146 3.462 . 0 0 "[ . 1 . 2]" 2
309 1 19 ASN HB2 1 19 ASN HD21 2.673 . 3.566 2.745 2.132 3.401 . 0 0 "[ . 1 . 2]" 2
310 1 98 GLN HA 1 99 LEU H 2.953 . 4.043 3.326 3.243 3.415 . 0 0 "[ . 1 . 2]" 2
311 1 99 LEU H 1 99 LEU HA 2.897 . 3.946 2.857 2.806 2.903 . 0 0 "[ . 1 . 2]" 2
312 1 98 GLN HB2 1 99 LEU H 3.029 . 4.176 3.321 2.854 4.175 . 0 0 "[ . 1 . 2]" 2
313 1 98 GLN HB3 1 99 LEU H 2.933 . 4.008 3.942 3.717 4.117 0.109 15 0 "[ . 1 . 2]" 2
314 1 99 LEU H 1 99 LEU HB3 2.713 . 3.633 2.366 2.223 2.463 . 0 0 "[ . 1 . 2]" 2
315 1 99 LEU H 1 99 LEU HB2 2.571 . 3.397 2.581 2.423 2.786 . 0 0 "[ . 1 . 2]" 2
316 1 94 ALA MB 1 99 LEU H 3.070 . 4.248 3.511 3.181 4.222 . 0 0 "[ . 1 . 2]" 2
317 1 99 LEU H 1 99 LEU MD2 2.890 . 6.000 4.115 4.020 4.213 . 0 0 "[ . 1 . 2]" 2
318 1 94 ALA H 1 94 ALA HA 2.440 . 3.184 2.628 2.242 2.933 . 0 0 "[ . 1 . 2]" 2
319 1 93 GLN HB3 1 94 ALA H 3.207 . 4.493 4.243 2.597 4.589 0.096 8 0 "[ . 1 . 2]" 2
320 1 94 ALA H 1 94 ALA MB 2.595 . 3.437 2.664 2.188 2.957 . 0 0 "[ . 1 . 2]" 2
321 1 77 MET H 1 77 MET HA 2.409 . 3.134 2.743 2.701 2.777 . 0 0 "[ . 1 . 2]" 2
322 1 77 MET H 1 77 MET QG 2.577 . 3.407 2.114 1.990 2.357 . 0 0 "[ . 1 . 2]" 2
323 1 77 MET H 1 77 MET HB2 2.447 . 3.195 2.453 2.268 2.581 . 0 0 "[ . 1 . 2]" 2
324 1 76 LYS HB3 1 77 MET H 2.324 . 2.999 2.390 2.284 2.532 . 0 0 "[ . 1 . 2]" 2
325 1 12 THR HA 1 13 LEU H 2.607 . 3.457 2.110 2.073 2.155 . 0 0 "[ . 1 . 2]" 2
326 1 13 LEU H 1 13 LEU HB2 2.750 . 3.695 2.653 2.484 2.761 . 0 0 "[ . 1 . 2]" 2
327 1 13 LEU H 1 13 LEU HB3 3.058 . 4.227 3.752 3.674 3.800 . 0 0 "[ . 1 . 2]" 2
328 1 13 LEU H 1 85 VAL QG 2.538 . 3.343 2.007 1.744 2.452 . 0 0 "[ . 1 . 2]" 2
329 1 13 LEU H 1 13 LEU MD1 2.651 . 3.530 3.602 3.386 3.762 0.232 7 0 "[ . 1 . 2]" 2
330 1 25 ILE H 1 26 GLY HA3 3.215 . 6.000 5.527 5.232 5.969 . 0 0 "[ . 1 . 2]" 2
331 1 25 ILE H 1 114 LEU HG 2.906 . 3.961 3.160 1.845 4.099 0.138 7 0 "[ . 1 . 2]" 2
332 1 53 ALA HA 1 54 ALA H 2.290 . 2.945 2.522 2.412 2.601 . 0 0 "[ . 1 . 2]" 2
333 1 11 VAL H 1 87 ILE MD 2.582 . 6.000 3.606 3.523 3.783 . 0 0 "[ . 1 . 2]" 2
334 1 22 GLY H 1 22 GLY HA3 2.978 . 4.086 2.948 2.933 2.959 . 0 0 "[ . 1 . 2]" 2
335 1 4 GLY H 1 4 GLY HA2 2.956 . 4.048 2.594 2.298 2.952 . 0 0 "[ . 1 . 2]" 2
336 1 14 GLN H 1 14 GLN HG2 2.581 . 6.000 3.930 2.567 4.430 . 0 0 "[ . 1 . 2]" 2
337 1 20 LEU H 1 20 LEU HA 2.856 . 3.876 2.932 2.895 2.947 . 0 0 "[ . 1 . 2]" 2
338 1 35 LEU H 1 35 LEU QD 2.793 . 6.000 3.097 2.045 3.722 . 0 0 "[ . 1 . 2]" 2
339 1 40 VAL H 1 40 VAL MG2 2.679 . 6.000 3.986 3.957 4.021 . 0 0 "[ . 1 . 2]" 2
340 1 22 GLY HA2 1 23 ILE H 3.076 . 4.259 2.886 2.803 3.001 . 0 0 "[ . 1 . 2]" 2
341 1 20 LEU QD 1 23 ILE H 2.338 . 6.000 3.469 3.184 3.907 . 0 0 "[ . 1 . 2]" 2
342 1 73 GLU H 1 73 GLU HB3 2.532 . 6.000 3.589 3.545 3.606 . 0 0 "[ . 1 . 2]" 2
343 1 87 ILE HA 1 88 HIS H 2.609 . 3.460 2.168 2.068 2.279 . 0 0 "[ . 1 . 2]" 2
344 1 88 HIS H 1 88 HIS HB3 3.059 . 4.228 3.452 2.756 3.818 . 0 0 "[ . 1 . 2]" 2
345 1 88 HIS H 1 88 HIS HB2 3.098 . 4.298 2.533 2.292 2.733 . 0 0 "[ . 1 . 2]" 2
346 1 87 ILE MG 1 88 HIS H 2.703 . 3.617 3.370 3.169 3.630 0.013 13 0 "[ . 1 . 2]" 2
347 1 58 ILE MG 1 88 HIS H 2.654 . 3.534 3.164 2.222 3.578 0.044 6 0 "[ . 1 . 2]" 2
348 1 91 LYS H 1 91 LYS HG3 3.140 . 4.372 3.970 2.110 4.481 0.109 7 0 "[ . 1 . 2]" 2
349 1 93 GLN HB2 1 94 ALA H 3.452 . 4.942 4.063 1.886 4.614 0.076 3 0 "[ . 1 . 2]" 2
350 1 93 GLN HA 1 94 ALA H 2.488 . 3.262 2.766 2.095 3.440 0.178 3 0 "[ . 1 . 2]" 2
351 1 97 LYS H 1 97 LYS HA 2.460 . 3.217 2.796 2.768 2.839 . 0 0 "[ . 1 . 2]" 2
352 1 100 GLU H 1 100 GLU HA 2.591 . 3.430 2.840 2.812 2.861 . 0 0 "[ . 1 . 2]" 2
353 1 100 GLU H 1 100 GLU HG3 2.755 . 3.704 2.849 2.652 3.021 . 0 0 "[ . 1 . 2]" 2
354 1 71 LYS H 1 71 LYS HD2 3.112 . 4.323 4.095 3.872 4.292 . 0 0 "[ . 1 . 2]" 2
355 1 71 LYS H 1 71 LYS HG2 3.019 . 4.158 1.884 1.817 2.017 0.063 6 0 "[ . 1 . 2]" 2
356 1 69 LYS H 1 70 THR H 3.260 . 4.588 3.828 3.520 4.202 . 0 0 "[ . 1 . 2]" 2
357 1 77 MET H 1 78 ILE H 2.737 . 3.674 2.803 2.686 2.974 . 0 0 "[ . 1 . 2]" 2
358 1 43 ASN HB3 1 43 ASN HD22 2.959 . 4.054 4.016 3.722 4.058 0.004 18 0 "[ . 1 . 2]" 2
359 1 43 ASN HB2 1 43 ASN HD22 2.665 . 3.553 3.589 3.473 4.064 0.511 13 2 "[- . 1 + . 2]" 2
360 1 42 ASP HB3 1 43 ASN HD22 2.815 . 3.805 3.388 2.959 4.659 0.854 12 1 "[ . 1 + . 2]" 2
361 1 39 GLN HE22 1 39 GLN HG3 3.021 . 4.162 3.730 3.443 4.000 . 0 0 "[ . 1 . 2]" 2
362 1 39 GLN HE22 1 39 GLN HG2 2.990 . 4.108 3.516 3.418 3.732 . 0 0 "[ . 1 . 2]" 2
363 1 39 GLN HE21 1 39 GLN HG3 2.760 . 3.712 2.829 2.199 3.428 . 0 0 "[ . 1 . 2]" 2
364 1 39 GLN HE21 1 39 GLN HG2 2.643 . 3.516 2.343 2.181 2.880 . 0 0 "[ . 1 . 2]" 2
365 1 39 GLN QB 1 39 GLN HE21 3.123 . 4.342 3.657 2.761 3.959 . 0 0 "[ . 1 . 2]" 2
366 1 19 ASN HB3 1 19 ASN HD22 2.822 . 3.817 3.653 3.447 4.035 0.218 3 0 "[ . 1 . 2]" 2
367 1 74 VAL H 1 75 ALA H 2.812 . 3.679 2.688 2.574 2.907 . 0 0 "[ . 1 . 2]" 2
368 1 19 ASN HD22 1 79 GLN HA 2.941 . 4.022 3.329 2.446 4.086 0.064 3 0 "[ . 1 . 2]" 2
369 1 43 ASN HA 1 43 ASN HD21 3.039 . 4.194 3.296 1.851 3.823 0.033 1 0 "[ . 1 . 2]" 2
370 1 94 ALA H 1 95 ASP H 2.961 . 6.000 4.465 4.274 4.632 . 0 0 "[ . 1 . 2]" 2
371 1 18 GLN H 1 20 LEU H 2.569 . 3.394 3.457 3.393 3.526 0.132 13 0 "[ . 1 . 2]" 2
372 1 51 THR H 1 52 VAL H 2.968 . 3.407 2.581 1.707 2.842 0.160 18 0 "[ . 1 . 2]" 2
373 1 39 GLN HE21 1 41 PHE QE 2.681 . 3.579 3.016 2.323 3.623 0.044 7 0 "[ . 1 . 2]" 2
374 1 46 ALA H 1 48 LEU H 3.153 . 4.395 4.367 4.279 4.429 0.034 20 0 "[ . 1 . 2]" 2
375 1 78 ILE HA 1 80 GLU H 3.140 . 4.372 4.245 3.668 4.418 0.046 3 0 "[ . 1 . 2]" 2
376 1 99 LEU HA 1 101 VAL H 3.229 . 4.532 4.123 3.775 4.412 . 0 0 "[ . 1 . 2]" 2
377 1 18 GLN HE22 1 18 GLN HG3 2.964 . 4.062 3.911 3.480 4.062 0.000 8 0 "[ . 1 . 2]" 2
378 1 22 GLY H 1 23 ILE MD 3.181 . 6.000 4.554 4.393 4.656 . 0 0 "[ . 1 . 2]" 2
379 1 41 PHE H 1 42 ASP H 2.981 . 4.092 4.150 3.944 4.282 0.190 1 0 "[ . 1 . 2]" 2
380 1 13 LEU H 1 85 VAL H 3.343 . 4.740 3.475 3.077 4.191 . 0 0 "[ . 1 . 2]" 2
381 1 9 GLY H 1 89 TYR H 3.296 . 4.654 3.231 2.766 4.140 . 0 0 "[ . 1 . 2]" 2
382 1 66 ILE H 1 69 LYS H 3.161 . 6.000 5.728 5.347 6.091 0.091 5 0 "[ . 1 . 2]" 2
383 1 73 GLU H 1 76 LYS H 3.022 . 6.000 4.677 4.392 4.936 . 0 0 "[ . 1 . 2]" 2
384 1 32 CYS H 1 32 CYS HB3 3.322 . 4.701 3.671 3.089 4.086 . 0 0 "[ . 1 . 2]" 2
385 1 29 ALA MB 1 32 CYS H 3.431 . 4.902 4.093 2.141 4.958 0.056 20 0 "[ . 1 . 2]" 2
386 1 68 GLY H 1 69 LYS H 3.283 . 4.630 2.485 1.929 2.720 0.007 6 0 "[ . 1 . 2]" 2
387 1 25 ILE H 1 114 LEU H 3.218 . 4.512 3.404 2.740 4.072 . 0 0 "[ . 1 . 2]" 2
388 1 11 VAL H 1 89 TYR H 3.184 . 6.000 5.181 4.540 5.699 . 0 0 "[ . 1 . 2]" 2
389 1 60 GLY H 1 61 VAL H 3.201 . 4.482 4.322 4.187 4.381 . 0 0 "[ . 1 . 2]" 2
390 1 16 ASP H 1 45 PRO HD2 3.148 . 4.387 4.165 3.963 4.370 . 0 0 "[ . 1 . 2]" 2
391 1 78 ILE HA 1 81 VAL H 3.331 . 4.718 4.112 3.601 4.416 . 0 0 "[ . 1 . 2]" 2
392 1 19 ASN HD22 1 79 GLN QB 3.044 . 4.202 2.382 1.881 2.899 0.041 9 0 "[ . 1 . 2]" 2
393 1 18 GLN HE21 1 18 GLN HG3 2.472 . 6.000 3.163 2.234 3.501 . 0 0 "[ . 1 . 2]" 2
394 1 87 ILE H 1 87 ILE HB 3.174 . 4.433 3.582 3.515 3.692 . 0 0 "[ . 1 . 2]" 2
395 1 81 VAL QG 1 82 LYS H 3.165 . 4.417 2.660 1.824 3.755 0.089 7 0 "[ . 1 . 2]" 2
396 1 12 THR H 1 13 LEU H 3.233 . 4.540 4.259 4.076 4.379 . 0 0 "[ . 1 . 2]" 2
397 1 95 ASP QB 1 98 GLN H 3.209 . 4.496 3.161 2.879 3.559 . 0 0 "[ . 1 . 2]" 2
398 1 16 ASP HA 1 18 GLN H 3.320 . 4.698 4.179 3.940 4.420 . 0 0 "[ . 1 . 2]" 2
399 1 73 GLU HB3 1 76 LYS H 3.313 . 6.000 5.199 5.143 5.278 . 0 0 "[ . 1 . 2]" 2
400 1 94 ALA MB 1 97 LYS H 3.133 . 6.000 5.951 5.709 6.068 0.068 16 0 "[ . 1 . 2]" 2
401 1 18 GLN HB2 1 20 LEU H 3.202 . 4.484 4.071 2.926 4.548 0.064 8 0 "[ . 1 . 2]" 2
402 1 19 ASN HB3 1 20 LEU H 3.300 . 4.661 4.155 3.827 4.514 . 0 0 "[ . 1 . 2]" 2
403 1 62 ASN HA 1 63 GLY H 3.228 . 4.530 2.967 2.842 3.064 . 0 0 "[ . 1 . 2]" 2
404 1 63 GLY H 1 64 ARG H 3.431 . 4.429 2.706 2.557 2.797 . 0 0 "[ . 1 . 2]" 2
405 1 103 PHE HB3 1 105 GLY H 3.342 . 4.738 4.594 3.833 4.929 0.191 17 0 "[ . 1 . 2]" 2
406 1 43 ASN HA 1 43 ASN HD22 3.042 . 4.198 4.010 3.406 4.268 0.070 8 0 "[ . 1 . 2]" 2
407 1 98 GLN HA 1 101 VAL H 3.271 . 4.609 3.332 3.071 3.672 . 0 0 "[ . 1 . 2]" 2
408 1 75 ALA MB 1 79 GLN H 3.212 . 4.502 4.528 4.410 4.601 0.099 5 0 "[ . 1 . 2]" 2
409 1 41 PHE H 1 47 ALA MB 3.203 . 4.485 2.888 2.498 3.272 . 0 0 "[ . 1 . 2]" 2
410 1 14 GLN H 1 45 PRO HB2 3.333 . 4.722 3.203 3.011 3.702 . 0 0 "[ . 1 . 2]" 2
411 1 21 ILE H 1 23 ILE MD 3.261 . 4.590 4.715 4.657 4.795 0.205 4 0 "[ . 1 . 2]" 2
412 1 36 TYR H 1 36 TYR HB2 3.257 . 4.583 3.543 2.423 3.960 . 0 0 "[ . 1 . 2]" 2
413 1 61 VAL H 1 64 ARG HG3 3.245 . 4.562 3.717 3.397 4.058 . 0 0 "[ . 1 . 2]" 2
414 1 11 VAL H 1 87 ILE HB 2.936 . 4.014 4.029 3.735 4.180 0.166 18 0 "[ . 1 . 2]" 2
415 1 11 VAL QG 1 51 THR H 3.136 . 6.000 4.250 4.073 4.479 . 0 0 "[ . 1 . 2]" 2
416 1 39 GLN HA 1 54 ALA H 3.223 . 4.522 4.159 3.780 4.448 . 0 0 "[ . 1 . 2]" 2
417 1 55 GLY HA3 1 56 ASP H 2.878 . 3.913 3.207 3.004 3.439 . 0 0 "[ . 1 . 2]" 2
418 1 84 GLU HA 1 85 VAL H 2.353 . 3.045 2.477 2.190 2.597 . 0 0 "[ . 1 . 2]" 2
419 1 62 ASN HA 1 86 THR H 3.270 . 4.607 3.372 2.254 4.233 . 0 0 "[ . 1 . 2]" 2
420 1 11 VAL H 1 87 ILE H 3.169 . 4.424 3.261 2.912 4.057 . 0 0 "[ . 1 . 2]" 2
421 1 21 ILE H 1 23 ILE H 3.326 . 4.708 3.721 3.605 3.932 . 0 0 "[ . 1 . 2]" 2
422 1 19 ASN HD21 1 79 GLN QB 3.153 . 4.396 2.713 1.881 4.024 0.029 3 0 "[ . 1 . 2]" 2
423 1 19 ASN HD22 1 79 GLN QG 3.165 . 4.417 3.396 2.864 4.655 0.238 19 0 "[ . 1 . 2]" 2
424 1 18 GLN HE22 1 20 LEU HB3 3.090 . 6.000 5.945 5.274 6.149 0.149 2 0 "[ . 1 . 2]" 2
425 1 18 GLN HB2 1 18 GLN HE21 2.905 . 3.960 3.645 2.451 3.992 0.032 9 0 "[ . 1 . 2]" 2
426 1 15 LYS H 1 85 VAL QG 3.204 . 4.487 2.896 2.172 3.114 . 0 0 "[ . 1 . 2]" 2
427 1 7 VAL H 1 8 PRO QD 3.241 . 4.554 3.921 3.451 4.302 . 0 0 "[ . 1 . 2]" 2
428 1 7 VAL HB 1 91 LYS H 3.331 . 4.718 4.332 2.420 4.792 0.074 4 0 "[ . 1 . 2]" 2
429 1 91 LYS H 1 92 LEU QD 3.191 . 4.464 3.831 3.098 4.177 . 0 0 "[ . 1 . 2]" 2
430 1 116 VAL H 1 116 VAL HB 3.509 . 5.048 3.360 3.036 3.570 . 0 0 "[ . 1 . 2]" 2
431 1 24 SER H 1 37 ILE HG13 3.309 . 4.678 3.894 2.714 4.573 . 0 0 "[ . 1 . 2]" 2
432 1 24 SER H 1 39 GLN QB 3.313 . 6.000 4.328 3.487 5.008 . 0 0 "[ . 1 . 2]" 2
433 1 23 ILE HG12 1 24 SER H 3.322 . 4.702 4.575 4.412 4.736 0.034 9 0 "[ . 1 . 2]" 2
434 1 23 ILE H 1 24 SER H 3.446 . 4.930 4.426 4.395 4.463 . 0 0 "[ . 1 . 2]" 2
435 1 14 GLN HE21 1 14 GLN HG2 2.947 . 4.032 2.446 2.191 3.461 . 0 0 "[ . 1 . 2]" 2
436 1 14 GLN HB3 1 14 GLN HE21 3.065 . 4.239 3.561 1.901 4.100 . 0 0 "[ . 1 . 2]" 2
437 1 14 GLN HE21 1 84 GLU HB3 3.046 . 4.206 3.798 3.541 4.192 . 0 0 "[ . 1 . 2]" 2
438 1 14 GLN HE21 1 84 GLU HB2 3.228 . 4.531 4.505 3.161 4.641 0.110 13 0 "[ . 1 . 2]" 2
439 1 16 ASP HB3 1 18 GLN H 3.221 . 4.518 2.860 2.469 4.158 . 0 0 "[ . 1 . 2]" 2
440 1 23 ILE H 1 23 ILE HG12 3.260 . 4.589 3.568 3.449 3.689 . 0 0 "[ . 1 . 2]" 2
441 1 24 SER H 1 25 ILE H 3.526 . 5.080 4.210 3.970 4.335 . 0 0 "[ . 1 . 2]" 2
442 1 29 ALA H 1 35 LEU QD 3.110 . 4.319 3.634 2.381 4.469 0.150 8 0 "[ . 1 . 2]" 2
443 1 50 GLY H 1 50 GLY HA3 2.314 . 2.983 2.319 2.297 2.365 . 0 0 "[ . 1 . 2]" 2
444 1 50 GLY H 1 50 GLY HA2 2.325 . 3.001 2.855 2.805 2.931 . 0 0 "[ . 1 . 2]" 2
445 1 57 GLU H 1 58 ILE H 3.303 . 4.667 4.223 3.808 4.483 . 0 0 "[ . 1 . 2]" 2
446 1 56 ASP HA 1 57 GLU H 2.668 . 3.558 2.395 2.233 2.620 . 0 0 "[ . 1 . 2]" 2
447 1 36 TYR H 1 37 ILE H 3.394 . 4.834 4.084 3.376 4.644 . 0 0 "[ . 1 . 2]" 2
448 1 59 THR H 1 59 THR HB 3.449 . 4.936 3.012 2.784 3.256 . 0 0 "[ . 1 . 2]" 2
449 1 71 LYS H 1 71 LYS QZ 3.496 . 5.024 4.839 3.104 5.201 0.177 10 0 "[ . 1 . 2]" 2
450 1 83 GLY H 1 84 GLU H 3.284 . 4.632 3.057 2.624 3.396 . 0 0 "[ . 1 . 2]" 2
451 1 15 LYS QD 1 83 GLY H 3.088 . 4.280 3.731 2.911 3.920 . 0 0 "[ . 1 . 2]" 2
452 1 81 VAL QG 1 83 GLY H 3.195 . 4.471 4.294 2.321 4.546 0.075 16 0 "[ . 1 . 2]" 2
453 1 16 ASP H 1 18 GLN H 3.316 . 4.690 4.238 4.094 4.495 . 0 0 "[ . 1 . 2]" 2
454 1 15 LYS H 1 85 VAL H 3.185 . 4.453 4.426 4.041 4.532 0.079 5 0 "[ . 1 . 2]" 2
455 1 89 TYR H 1 90 ASN H 3.299 . 4.659 4.216 3.401 4.567 . 0 0 "[ . 1 . 2]" 2
456 1 42 ASP H 1 44 THR H 3.086 . 4.277 3.548 2.855 4.328 0.051 12 0 "[ . 1 . 2]" 2
457 1 100 GLU H 1 100 GLU HB3 2.203 . 2.809 2.649 2.549 2.742 . 0 0 "[ . 1 . 2]" 2
458 1 97 LYS HA 1 100 GLU H 3.007 . 4.138 4.150 3.757 4.236 0.098 9 0 "[ . 1 . 2]" 2
459 1 76 LYS HG2 1 77 MET H 2.572 . 3.399 3.427 3.224 3.496 0.097 13 0 "[ . 1 . 2]" 2
460 1 99 LEU HB3 1 100 GLU H 2.727 . 3.657 2.506 2.347 2.647 . 0 0 "[ . 1 . 2]" 2
461 1 61 VAL QG 1 77 MET H 2.566 . 6.000 4.317 3.838 4.907 . 0 0 "[ . 1 . 2]" 2
462 1 105 GLY H 1 105 GLY HA2 2.496 . 3.275 2.759 2.433 2.963 . 0 0 "[ . 1 . 2]" 2
463 1 16 ASP H 1 18 GLN HB3 3.262 . 6.000 5.427 5.076 5.937 . 0 0 "[ . 1 . 2]" 2
464 1 49 ASP QB 1 50 GLY H 2.981 . 3.961 2.969 2.651 3.295 . 0 0 "[ . 1 . 2]" 2
465 1 16 ASP H 1 19 ASN HB3 3.087 . 6.000 6.070 5.771 6.178 0.178 7 0 "[ . 1 . 2]" 2
466 1 114 LEU QD 1 115 LYS H 2.766 . 3.722 2.109 1.573 2.563 0.237 11 0 "[ . 1 . 2]" 2
467 1 11 VAL H 1 87 ILE HG12 2.911 . 3.970 2.186 1.970 2.460 . 0 0 "[ . 1 . 2]" 2
468 1 11 VAL H 1 12 THR HA 2.463 . 6.000 4.712 4.506 4.919 . 0 0 "[ . 1 . 2]" 2
469 1 7 VAL H 1 7 VAL MG2 2.510 . 3.297 2.218 1.711 3.110 0.012 7 0 "[ . 1 . 2]" 2
470 1 23 ILE HG13 1 25 ILE H 2.899 . 6.000 6.032 6.004 6.059 0.059 17 0 "[ . 1 . 2]" 2
471 1 11 VAL H 1 88 HIS HA 3.105 . 4.310 4.315 4.107 4.400 0.090 20 0 "[ . 1 . 2]" 2
472 1 73 GLU H 1 74 VAL MG1 2.955 . 4.046 4.043 3.922 4.425 0.379 15 0 "[ . 1 . 2]" 2
473 1 49 ASP HA 1 50 GLY H 3.114 . 4.326 3.357 3.149 3.503 . 0 0 "[ . 1 . 2]" 2
474 1 48 LEU QB 1 50 GLY H 3.170 . 4.426 3.966 3.586 4.315 . 0 0 "[ . 1 . 2]" 2
475 1 58 ILE H 1 58 ILE MG 2.727 . 6.000 3.827 3.728 3.935 . 0 0 "[ . 1 . 2]" 2
476 1 10 LYS H 1 10 LYS HA 2.450 . 3.200 2.814 2.266 2.925 . 0 0 "[ . 1 . 2]" 2
477 1 9 GLY HA2 1 10 LYS H 2.474 . 3.239 2.394 2.127 3.485 0.246 4 0 "[ . 1 . 2]" 2
478 1 10 LYS H 1 10 LYS HG3 2.965 . 4.064 3.636 2.607 4.878 0.814 18 1 "[ . 1 . + 2]" 2
479 1 66 ILE HG13 1 67 LYS H 3.342 . 4.738 4.262 3.322 4.834 0.096 19 0 "[ . 1 . 2]" 2
480 1 69 LYS H 1 69 LYS HG2 3.005 . 4.134 3.209 2.561 4.186 0.052 9 0 "[ . 1 . 2]" 2
481 1 17 ALA MB 1 18 GLN H 2.273 . 2.919 2.916 2.731 3.004 0.085 7 0 "[ . 1 . 2]" 2
482 1 96 PRO HB3 1 97 LYS H 2.621 . 3.479 3.574 3.452 3.706 0.227 16 0 "[ . 1 . 2]" 2
483 1 97 LYS H 1 97 LYS HG3 2.396 . 3.114 3.140 3.087 3.211 0.097 4 0 "[ . 1 . 2]" 2
484 1 112 HIS H 1 112 HIS HB3 3.169 . 4.424 3.453 2.508 4.150 . 0 0 "[ . 1 . 2]" 2
485 1 33 PRO HA 1 34 CYS H 3.080 . 4.266 2.854 2.140 3.569 . 0 0 "[ . 1 . 2]" 2
486 1 14 GLN HA 1 84 GLU H 3.184 . 4.451 4.482 4.373 4.580 0.129 7 0 "[ . 1 . 2]" 2
487 1 95 ASP H 1 98 GLN HB2 2.939 . 4.019 2.403 1.837 4.035 0.022 11 0 "[ . 1 . 2]" 2
488 1 114 LEU H 1 114 LEU QD 3.078 . 4.262 3.384 2.683 3.960 . 0 0 "[ . 1 . 2]" 2
489 1 114 LEU H 1 114 LEU HB3 2.856 . 3.876 2.741 2.297 3.556 . 0 0 "[ . 1 . 2]" 2
490 1 71 LYS HD3 1 114 LEU H 3.133 . 6.000 4.861 3.987 6.018 0.018 16 0 "[ . 1 . 2]" 2
491 1 24 SER HG 1 25 ILE H 2.802 . 3.783 3.903 3.880 3.943 0.160 19 0 "[ . 1 . 2]" 2
492 1 24 SER H 1 24 SER HG 3.245 . 4.561 3.766 3.512 3.986 . 0 0 "[ . 1 . 2]" 2
493 1 66 ILE H 1 67 LYS HB2 3.177 . 4.439 4.213 3.475 4.394 . 0 0 "[ . 1 . 2]" 2
494 1 50 GLY H 1 52 VAL H 3.476 . 4.986 4.526 4.171 4.808 . 0 0 "[ . 1 . 2]" 2
495 1 28 GLY H 1 35 LEU QD 2.959 . 4.053 2.716 1.842 3.391 0.023 2 0 "[ . 1 . 2]" 2
496 1 26 GLY H 1 114 LEU HG 3.163 . 6.000 5.751 4.728 6.120 0.120 10 0 "[ . 1 . 2]" 2
497 1 29 ALA H 1 32 CYS HB3 3.307 . 6.000 5.766 4.342 6.220 0.220 12 0 "[ . 1 . 2]" 2
498 1 102 LEU H 1 103 PHE HB2 3.349 . 4.643 4.504 3.997 4.732 0.089 4 0 "[ . 1 . 2]" 2
499 1 100 GLU HG3 1 103 PHE H 3.421 . 4.884 5.053 4.987 5.135 0.251 9 0 "[ . 1 . 2]" 2
500 1 105 GLY H 1 106 PRO HB3 3.254 . 4.577 4.640 4.024 5.022 0.445 9 0 "[ . 1 . 2]" 2
501 1 99 LEU H 1 100 GLU HG3 3.193 . 4.467 4.540 4.504 4.587 0.120 10 0 "[ . 1 . 2]" 2
502 1 95 ASP QB 1 99 LEU H 3.290 . 4.643 4.382 4.223 4.513 . 0 0 "[ . 1 . 2]" 2
503 1 99 LEU H 1 100 GLU H 2.875 . 3.908 2.463 2.295 2.639 . 0 0 "[ . 1 . 2]" 2
504 1 98 GLN H 1 101 VAL MG2 3.229 . 6.000 4.675 4.066 6.081 0.081 10 0 "[ . 1 . 2]" 2
505 1 95 ASP H 1 98 GLN HA 3.335 . 4.726 4.793 4.316 4.935 0.209 17 0 "[ . 1 . 2]" 2
506 1 95 ASP H 1 99 LEU MD1 3.197 . 6.000 5.763 5.310 5.991 . 0 0 "[ . 1 . 2]" 2
507 1 11 VAL HA 1 12 THR H 2.371 . 3.074 2.308 2.227 2.396 . 0 0 "[ . 1 . 2]" 2
508 1 115 LYS H 1 115 LYS HB2 2.915 . 3.977 3.904 2.823 4.025 0.048 17 0 "[ . 1 . 2]" 2
509 1 23 ILE MD 1 115 LYS H 3.307 . 6.000 4.840 4.708 4.945 . 0 0 "[ . 1 . 2]" 2
510 1 115 LYS H 1 115 LYS HB3 2.861 . 3.884 3.446 3.104 3.872 . 0 0 "[ . 1 . 2]" 2
511 1 115 LYS H 1 115 LYS HG3 2.965 . 4.064 3.213 2.369 3.935 . 0 0 "[ . 1 . 2]" 2
512 1 58 ILE H 1 58 ILE HG12 3.034 . 4.184 2.970 1.865 4.276 0.092 5 0 "[ . 1 . 2]" 2
513 1 44 THR HA 1 47 ALA H 2.666 . 6.000 4.684 4.483 4.876 . 0 0 "[ . 1 . 2]" 2
514 1 44 THR HG1 1 47 ALA H 3.545 . 5.116 2.544 2.409 2.720 . 0 0 "[ . 1 . 2]" 2
515 1 18 GLN HE22 1 115 LYS QZ 3.232 . 4.537 3.685 2.601 4.556 0.019 14 0 "[ . 1 . 2]" 2
516 1 37 ILE HB 1 37 ILE MG 2.777 . 3.741 2.120 2.114 2.127 . 0 0 "[ . 1 . 2]" 2
517 1 81 VAL HA 1 81 VAL QG 2.532 . 3.212 2.310 2.046 2.435 . 0 0 "[ . 1 . 2]" 2
518 1 37 ILE HA 1 37 ILE HG12 2.794 . 3.770 2.251 2.056 2.595 . 0 0 "[ . 1 . 2]" 2
519 1 106 PRO HA 1 106 PRO HB3 2.362 . 3.060 2.285 2.250 2.355 . 0 0 "[ . 1 . 2]" 2
520 1 33 PRO HA 1 33 PRO HB2 2.506 . 3.291 2.848 2.643 2.999 . 0 0 "[ . 1 . 2]" 2
521 1 33 PRO HA 1 33 PRO HB3 2.524 . 3.321 2.285 2.258 2.353 . 0 0 "[ . 1 . 2]" 2
522 1 7 VAL HA 1 7 VAL HB 2.918 . 3.982 2.877 2.612 3.012 . 0 0 "[ . 1 . 2]" 2
523 1 66 ILE HA 1 66 ILE MG 2.386 . 3.097 2.471 2.101 2.617 . 0 0 "[ . 1 . 2]" 2
524 1 13 LEU MD2 1 46 ALA HA 2.535 . 6.000 3.426 2.741 4.221 . 0 0 "[ . 1 . 2]" 2
525 1 40 VAL MG2 1 47 ALA HA 2.303 . 2.966 2.412 2.093 2.691 . 0 0 "[ . 1 . 2]" 2
526 1 75 ALA HA 1 116 VAL QG 2.429 . 3.162 2.249 1.975 2.553 . 0 0 "[ . 1 . 2]" 2
527 1 71 LYS HA 1 74 VAL MG1 2.493 . 3.270 3.269 2.236 3.427 0.157 17 0 "[ . 1 . 2]" 2
528 1 99 LEU HA 1 99 LEU MD1 3.014 . 4.150 3.277 3.171 3.395 . 0 0 "[ . 1 . 2]" 2
529 1 99 LEU HA 1 99 LEU MD2 2.690 . 3.595 2.098 2.021 2.228 . 0 0 "[ . 1 . 2]" 2
530 1 6 PRO HD3 1 92 LEU QD 2.751 . 3.697 2.183 1.793 2.908 0.012 18 0 "[ . 1 . 2]" 2
531 1 6 PRO HD2 1 92 LEU QD 2.897 . 3.946 3.048 2.323 3.445 . 0 0 "[ . 1 . 2]" 2
532 1 75 ALA HA 1 78 ILE MG 2.958 . 4.052 3.877 3.555 4.114 0.062 4 0 "[ . 1 . 2]" 2
533 1 76 LYS HA 1 76 LYS HG2 2.636 . 3.505 3.265 3.201 3.343 . 0 0 "[ . 1 . 2]" 2
534 1 102 LEU HA 1 102 LEU HB3 2.673 . 3.566 2.751 2.472 3.026 . 0 0 "[ . 1 . 2]" 2
535 1 48 LEU HA 1 48 LEU QB 2.459 . 3.072 2.254 2.052 2.448 . 0 0 "[ . 1 . 2]" 2
536 1 67 LYS HA 1 67 LYS HB2 2.609 . 3.460 2.460 2.392 2.660 . 0 0 "[ . 1 . 2]" 2
537 1 67 LYS HA 1 67 LYS HB3 2.531 . 3.332 3.016 2.982 3.026 . 0 0 "[ . 1 . 2]" 2
538 1 47 ALA HA 1 47 ALA MB 2.263 . 2.903 2.121 2.113 2.131 . 0 0 "[ . 1 . 2]" 2
539 1 99 LEU HA 1 99 LEU HB2 2.811 . 3.799 2.445 2.375 2.477 . 0 0 "[ . 1 . 2]" 2
540 1 99 LEU HA 1 99 LEU HB3 2.998 . 4.122 3.018 3.000 3.024 . 0 0 "[ . 1 . 2]" 2
541 1 76 LYS HA 1 76 LYS QB 2.245 . 2.875 2.327 2.304 2.351 . 0 0 "[ . 1 . 2]" 2
542 1 97 LYS HA 1 97 LYS HB3 2.313 . 2.982 2.409 2.390 2.425 . 0 0 "[ . 1 . 2]" 2
543 1 39 GLN HA 1 39 GLN HG3 2.784 . 3.753 3.212 2.463 3.618 . 0 0 "[ . 1 . 2]" 2
544 1 39 GLN HA 1 39 GLN QB 2.818 . 3.811 2.191 2.155 2.496 . 0 0 "[ . 1 . 2]" 2
545 1 5 ILE HA 1 6 PRO HD3 2.485 . 3.257 2.319 2.050 2.687 . 0 0 "[ . 1 . 2]" 2
546 1 5 ILE HB 1 6 PRO HD3 2.876 . 3.910 3.201 2.393 3.487 . 0 0 "[ . 1 . 2]" 2
547 1 5 ILE HA 1 5 ILE HB 2.890 . 3.934 2.479 2.428 2.615 . 0 0 "[ . 1 . 2]" 2
548 1 5 ILE HB 1 5 ILE MD 2.584 . 3.419 2.595 2.459 3.196 . 0 0 "[ . 1 . 2]" 2
549 1 5 ILE HB 1 5 ILE QG 2.455 . 3.208 2.281 2.159 2.337 . 0 0 "[ . 1 . 2]" 2
550 1 5 ILE QG 1 5 ILE MG 2.515 . 3.306 2.451 2.373 2.543 . 0 0 "[ . 1 . 2]" 2
551 1 5 ILE HA 1 5 ILE QG 3.067 . 4.185 3.315 3.289 3.408 . 0 0 "[ . 1 . 2]" 2
552 1 5 ILE HA 1 5 ILE MG 2.470 . 3.233 2.300 2.188 2.376 . 0 0 "[ . 1 . 2]" 2
553 1 5 ILE MG 1 6 PRO HD2 2.871 . 3.901 3.166 2.568 3.539 . 0 0 "[ . 1 . 2]" 2
554 1 5 ILE HB 1 5 ILE MG 2.264 . 2.905 2.120 2.108 2.128 . 0 0 "[ . 1 . 2]" 2
555 1 5 ILE MD 1 5 ILE MG 1.828 . 2.246 1.876 1.818 1.927 . 0 0 "[ . 1 . 2]" 2
556 1 5 ILE MG 1 6 PRO HD3 2.690 . 3.594 3.609 3.102 3.770 0.176 11 0 "[ . 1 . 2]" 2
557 1 5 ILE HA 1 6 PRO HD2 2.337 . 3.020 2.665 2.306 3.166 0.146 10 0 "[ . 1 . 2]" 2
558 1 6 PRO HD2 1 90 ASN QB 3.010 . 4.142 2.310 1.783 2.608 0.095 19 0 "[ . 1 . 2]" 2
559 1 6 PRO HD2 1 6 PRO HG3 2.326 . 3.002 2.714 2.593 2.958 . 0 0 "[ . 1 . 2]" 2
560 1 6 PRO HB3 1 6 PRO HD2 2.854 . 3.872 3.873 3.800 3.933 0.061 10 0 "[ . 1 . 2]" 2
561 1 6 PRO HB3 1 6 PRO HD3 3.050 . 4.213 3.074 2.762 3.958 . 0 0 "[ . 1 . 2]" 2
562 1 6 PRO HB3 1 7 VAL HA 2.562 . 6.000 5.583 4.961 5.746 . 0 0 "[ . 1 . 2]" 2
563 1 98 GLN HA 1 101 VAL HB 2.996 . 4.118 2.643 2.290 3.341 . 0 0 "[ . 1 . 2]" 2
564 1 6 PRO HB3 1 92 LEU QD 2.771 . 3.731 2.621 1.992 3.336 . 0 0 "[ . 1 . 2]" 2
565 1 6 PRO HB2 1 6 PRO HD3 2.917 . 3.981 3.928 3.780 4.018 0.037 8 0 "[ . 1 . 2]" 2
566 1 6 PRO HB2 1 6 PRO HD2 2.982 . 4.094 3.958 3.122 4.080 . 0 0 "[ . 1 . 2]" 2
567 1 6 PRO HB2 1 7 VAL HA 2.752 . 6.000 4.258 4.004 4.412 . 0 0 "[ . 1 . 2]" 2
568 1 7 VAL HA 1 8 PRO QD 2.247 . 2.878 1.849 1.681 2.049 . 0 0 "[ . 1 . 2]" 2
569 1 61 VAL QG 1 77 MET HB3 2.819 . 3.813 2.568 2.155 3.270 . 0 0 "[ . 1 . 2]" 2
570 1 7 VAL HB 1 8 PRO QD 3.071 . 4.250 3.918 2.654 4.191 . 0 0 "[ . 1 . 2]" 2
571 1 7 VAL HA 1 7 VAL MG2 2.273 . 2.919 2.671 2.291 3.121 0.202 2 0 "[ . 1 . 2]" 2
572 1 95 ASP HA 1 99 LEU HB2 2.784 . 3.753 3.711 3.399 3.896 0.143 16 0 "[ . 1 . 2]" 2
573 1 91 LYS HE2 1 91 LYS HG2 2.153 . 2.732 2.817 2.391 3.438 0.706 12 5 "[ . ** * + -. 2]" 2
574 1 76 LYS QD 1 76 LYS HE3 2.000 . 2.500 2.267 2.172 2.396 . 0 0 "[ . 1 . 2]" 2
575 1 76 LYS HE3 1 76 LYS HG3 2.816 . 3.807 3.663 3.605 3.702 . 0 0 "[ . 1 . 2]" 2
576 1 76 LYS HE3 1 76 LYS HG2 2.611 . 3.463 3.194 2.435 3.806 0.343 10 0 "[ . 1 . 2]" 2
577 1 76 LYS HB2 1 76 LYS HG3 2.225 . 2.844 2.517 2.483 2.551 . 0 0 "[ . 1 . 2]" 2
578 1 11 VAL HA 1 11 VAL HB 2.590 . 3.428 2.441 2.390 2.484 . 0 0 "[ . 1 . 2]" 2
579 1 11 VAL QG 1 52 VAL QG 2.554 . 3.369 2.237 1.817 3.156 0.111 12 0 "[ . 1 . 2]" 2
580 1 11 VAL HA 1 11 VAL QG 2.415 . 3.144 2.322 2.275 2.389 . 0 0 "[ . 1 . 2]" 2
581 1 12 THR HB 1 12 THR MG 2.309 . 2.975 2.132 2.129 2.134 . 0 0 "[ . 1 . 2]" 2
582 1 13 LEU HB2 1 13 LEU MD1 2.592 . 3.432 2.834 2.162 3.196 . 0 0 "[ . 1 . 2]" 2
583 1 13 LEU HB3 1 13 LEU MD1 2.579 . 3.410 2.518 2.471 2.613 . 0 0 "[ . 1 . 2]" 2
584 1 13 LEU HB3 1 13 LEU MD2 2.682 . 3.581 2.847 2.196 3.186 . 0 0 "[ . 1 . 2]" 2
585 1 13 LEU HB2 1 45 PRO HB2 3.186 . 4.455 2.786 2.500 3.224 . 0 0 "[ . 1 . 2]" 2
586 1 13 LEU HB3 1 45 PRO HB2 3.256 . 4.581 2.234 1.902 2.874 0.029 15 0 "[ . 1 . 2]" 2
587 1 64 ARG HA 1 64 ARG HG3 2.709 . 3.627 3.869 3.805 3.923 0.296 2 0 "[ . 1 . 2]" 2
588 1 14 GLN HA 1 14 GLN HB3 2.593 . 3.434 2.552 2.476 2.599 . 0 0 "[ . 1 . 2]" 2
589 1 14 GLN HA 1 14 GLN HB2 2.630 . 3.494 2.871 2.331 3.022 . 0 0 "[ . 1 . 2]" 2
590 1 14 GLN HA 1 84 GLU HA 2.731 . 3.663 1.859 1.704 2.264 0.095 12 0 "[ . 1 . 2]" 2
591 1 14 GLN HA 1 85 VAL QG 2.917 . 3.247 2.823 1.894 3.124 . 0 0 "[ . 1 . 2]" 2
592 1 14 GLN HB2 1 14 GLN HG2 2.318 . 2.990 2.972 2.438 3.005 0.015 11 0 "[ . 1 . 2]" 2
593 1 14 GLN HA 1 14 GLN HG2 2.755 . 3.704 2.758 2.350 3.816 0.112 12 0 "[ . 1 . 2]" 2
594 1 45 PRO HD3 1 45 PRO HG2 2.459 . 3.215 2.992 2.969 3.000 . 0 0 "[ . 1 . 2]" 2
595 1 14 GLN HB3 1 14 GLN HG2 2.060 . 2.591 2.441 2.342 2.985 0.394 7 0 "[ . 1 . 2]" 2
596 1 15 LYS HB2 1 15 LYS QD 2.672 . 3.457 3.288 3.259 3.384 . 0 0 "[ . 1 . 2]" 2
597 1 15 LYS HA 1 15 LYS HB2 2.911 . 3.970 3.012 2.993 3.038 . 0 0 "[ . 1 . 2]" 2
598 1 15 LYS HA 1 15 LYS HB3 2.747 . 3.690 2.416 2.345 2.451 . 0 0 "[ . 1 . 2]" 2
599 1 15 LYS HA 1 15 LYS QD 2.811 . 3.799 2.259 1.977 2.849 . 0 0 "[ . 1 . 2]" 2
600 1 15 LYS HA 1 15 LYS HG3 2.847 . 3.860 3.813 3.753 3.866 0.006 14 0 "[ . 1 . 2]" 2
601 1 15 LYS HA 1 21 ILE MG 2.707 . 3.623 3.690 3.645 3.725 0.102 4 0 "[ . 1 . 2]" 2
602 1 79 GLN HA 1 79 GLN QG 2.868 . 3.802 2.863 2.306 3.343 . 0 0 "[ . 1 . 2]" 2
603 1 79 GLN QG 1 116 VAL QG 3.057 . 6.000 2.953 1.961 3.998 . 0 0 "[ . 1 . 2]" 2
604 1 15 LYS HB2 1 15 LYS HG3 2.814 . 3.804 2.375 2.291 2.444 . 0 0 "[ . 1 . 2]" 2
605 1 16 ASP HA 1 16 ASP HB2 2.768 . 3.725 2.462 2.353 2.550 . 0 0 "[ . 1 . 2]" 2
606 1 16 ASP HA 1 16 ASP HB3 2.707 . 3.623 2.966 2.572 3.038 . 0 0 "[ . 1 . 2]" 2
607 1 18 GLN HA 1 18 GLN HB3 2.175 . 2.766 2.845 2.512 2.948 0.182 15 0 "[ . 1 . 2]" 2
608 1 18 GLN HA 1 18 GLN HG3 2.495 . 3.273 2.715 2.296 3.498 0.225 4 0 "[ . 1 . 2]" 2
609 1 18 GLN HA 1 18 GLN HB2 2.581 . 3.414 2.752 2.557 2.937 . 0 0 "[ . 1 . 2]" 2
610 1 98 GLN HB2 1 99 LEU HB3 2.370 . 6.000 5.402 5.092 6.153 0.153 10 0 "[ . 1 . 2]" 2
611 1 97 LYS HG3 1 98 GLN HB2 2.973 . 4.078 3.227 2.932 4.141 0.063 15 0 "[ . 1 . 2]" 2
612 1 98 GLN HB2 1 98 GLN HG2 1.894 . 2.342 2.539 2.375 2.966 0.624 11 5 "[ . -+ * ** 2]" 2
613 1 15 LYS HB2 1 19 ASN HA 3.107 . 4.314 3.217 2.793 3.652 . 0 0 "[ . 1 . 2]" 2
614 1 15 LYS HB3 1 19 ASN HA 2.643 . 3.516 2.077 1.854 2.560 . 0 0 "[ . 1 . 2]" 2
615 1 19 ASN HA 1 19 ASN HB2 2.682 . 3.581 2.400 2.215 2.498 . 0 0 "[ . 1 . 2]" 2
616 1 19 ASN HA 1 19 ASN HB3 2.642 . 3.515 2.857 2.473 3.028 . 0 0 "[ . 1 . 2]" 2
617 1 31 TYR HA 1 31 TYR HB3 2.865 . 3.891 2.718 2.414 3.033 . 0 0 "[ . 1 . 2]" 2
618 1 20 LEU HB3 1 20 LEU HG 2.757 . 3.707 2.518 2.463 3.019 . 0 0 "[ . 1 . 2]" 2
619 1 20 LEU HB3 1 20 LEU QD 2.458 . 3.213 2.219 2.131 2.257 . 0 0 "[ . 1 . 2]" 2
620 1 20 LEU HB2 1 20 LEU HG 2.894 . 3.941 2.993 2.446 3.031 . 0 0 "[ . 1 . 2]" 2
621 1 20 LEU HB2 1 20 LEU QD 2.462 . 3.184 2.144 2.117 2.285 . 0 0 "[ . 1 . 2]" 2
622 1 20 LEU QD 1 116 VAL HA 2.538 . 6.000 2.487 2.219 2.900 . 0 0 "[ . 1 . 2]" 2
623 1 21 ILE HB 1 21 ILE MG 2.151 . 2.729 2.125 2.109 2.137 . 0 0 "[ . 1 . 2]" 2
624 1 21 ILE HA 1 21 ILE HB 2.684 . 3.585 2.841 2.768 2.883 . 0 0 "[ . 1 . 2]" 2
625 1 23 ILE HG13 1 116 VAL QG 2.197 . 6.000 2.796 2.613 2.890 . 0 0 "[ . 1 . 2]" 2
626 1 21 ILE HG12 1 21 ILE MG 1.978 . 2.467 2.378 2.305 2.447 . 0 0 "[ . 1 . 2]" 2
627 1 58 ILE HB 1 58 ILE HG13 2.536 . 3.340 2.612 2.349 3.025 . 0 0 "[ . 1 . 2]" 2
628 1 21 ILE HB 1 21 ILE HG12 2.451 . 3.202 3.031 3.014 3.039 . 0 0 "[ . 1 . 2]" 2
629 1 21 ILE HA 1 116 VAL QG 2.501 . 6.000 4.744 4.430 5.164 . 0 0 "[ . 1 . 2]" 2
630 1 21 ILE HG13 1 116 VAL QG 2.183 . 3.506 2.271 2.003 2.766 . 0 0 "[ . 1 . 2]" 2
631 1 21 ILE HB 1 21 ILE MD 2.401 . 3.122 2.385 2.322 2.424 . 0 0 "[ . 1 . 2]" 2
632 1 72 VAL HA 1 75 ALA MB 2.529 . 3.329 3.177 2.838 3.339 0.010 9 0 "[ . 1 . 2]" 2
633 1 75 ALA HA 1 75 ALA MB 2.268 . 2.911 2.124 2.112 2.136 . 0 0 "[ . 1 . 2]" 2
634 1 53 ALA HA 1 53 ALA MB 2.172 . 2.762 2.125 2.117 2.130 . 0 0 "[ . 1 . 2]" 2
635 1 43 ASN HA 1 43 ASN HB3 2.413 . 3.141 2.543 2.476 2.663 . 0 0 "[ . 1 . 2]" 2
636 1 43 ASN HA 1 43 ASN HB2 2.537 . 3.341 3.011 2.968 3.028 . 0 0 "[ . 1 . 2]" 2
637 1 42 ASP HA 1 47 ALA MB 2.335 . 3.017 1.946 1.745 2.157 . 0 0 "[ . 1 . 2]" 2
638 1 42 ASP HA 1 42 ASP HB2 2.359 . 3.055 2.513 2.405 3.008 . 0 0 "[ . 1 . 2]" 2
639 1 93 GLN HA 1 93 GLN HB3 2.715 . 3.636 2.609 2.329 3.026 . 0 0 "[ . 1 . 2]" 2
640 1 93 GLN HA 1 93 GLN HB2 2.662 . 3.548 2.685 2.431 3.027 . 0 0 "[ . 1 . 2]" 2
641 1 75 ALA HA 1 78 ILE HB 2.937 . 4.015 2.649 2.408 2.848 . 0 0 "[ . 1 . 2]" 2
642 1 39 GLN HA 1 39 GLN HG2 2.916 . 3.979 3.591 2.396 3.863 . 0 0 "[ . 1 . 2]" 2
643 1 43 ASN HA 1 44 THR MG 2.913 . 6.000 4.643 4.428 4.809 . 0 0 "[ . 1 . 2]" 2
644 1 92 LEU HA 1 92 LEU QD 2.668 . 3.558 3.101 1.739 3.439 0.039 1 0 "[ . 1 . 2]" 2
645 1 92 LEU QD 1 93 GLN HA 2.945 . 4.029 3.463 2.755 3.853 . 0 0 "[ . 1 . 2]" 2
646 1 21 ILE MD 1 23 ILE HG13 2.644 . 3.518 2.733 2.447 3.047 . 0 0 "[ . 1 . 2]" 2
647 1 29 ALA HA 1 29 ALA MB 2.880 . 3.917 2.126 2.116 2.133 . 0 0 "[ . 1 . 2]" 2
648 1 12 THR HB 1 86 THR MG 2.210 . 2.820 2.695 1.962 2.844 0.024 9 0 "[ . 1 . 2]" 2
649 1 101 VAL HA 1 101 VAL MG2 2.318 . 2.990 2.326 2.227 2.388 . 0 0 "[ . 1 . 2]" 2
650 1 11 VAL QG 1 51 THR HA 2.178 . 6.000 5.061 4.846 5.177 . 0 0 "[ . 1 . 2]" 2
651 1 46 ALA HA 1 46 ALA MB 2.337 . 3.020 2.120 2.117 2.127 . 0 0 "[ . 1 . 2]" 2
652 1 22 GLY HA3 1 44 THR MG 2.650 . 3.528 1.954 1.870 2.046 . 0 0 "[ . 1 . 2]" 2
653 1 44 THR MG 1 45 PRO HD2 2.907 . 3.963 3.404 3.282 3.535 . 0 0 "[ . 1 . 2]" 2
654 1 44 THR HB 1 44 THR MG 2.888 . 3.931 2.127 2.123 2.135 . 0 0 "[ . 1 . 2]" 2
655 1 61 VAL QG 1 62 ASN HB2 2.702 . 6.000 2.509 2.143 3.130 . 0 0 "[ . 1 . 2]" 2
656 1 52 VAL HA 1 52 VAL QG 2.586 . 3.422 2.109 1.953 2.270 . 0 0 "[ . 1 . 2]" 2
657 1 40 VAL MG2 1 41 PHE HA 2.930 . 4.003 3.982 3.851 4.058 0.055 3 0 "[ . 1 . 2]" 2
658 1 16 ASP HA 1 44 THR MG 2.513 . 6.000 5.778 5.357 6.043 0.043 16 0 "[ . 1 . 2]" 2
659 1 12 THR HA 1 86 THR MG 2.752 . 3.699 3.318 2.656 3.689 . 0 0 "[ . 1 . 2]" 2
660 1 98 GLN HA 1 101 VAL MG2 2.906 . 3.962 2.689 1.926 4.042 0.080 13 0 "[ . 1 . 2]" 2
661 1 101 VAL HA 1 101 VAL MG1 2.507 . 3.293 2.604 2.418 3.183 . 0 0 "[ . 1 . 2]" 2
662 1 61 VAL QG 1 77 MET HB2 2.309 . 6.000 2.421 1.869 3.061 . 0 0 "[ . 1 . 2]" 2
663 1 40 VAL HB 1 40 VAL MG1 2.227 . 2.847 2.118 2.113 2.122 . 0 0 "[ . 1 . 2]" 2
664 1 40 VAL MG2 1 47 ALA MB 2.330 . 3.009 1.770 1.724 1.809 . 0 0 "[ . 1 . 2]" 2
665 1 40 VAL HB 1 40 VAL MG2 2.236 . 2.861 2.119 2.114 2.124 . 0 0 "[ . 1 . 2]" 2
666 1 74 VAL HB 1 74 VAL MG1 2.073 . 2.610 2.121 2.069 2.132 . 0 0 "[ . 1 . 2]" 2
667 1 61 VAL HB 1 61 VAL QG 2.211 . 2.822 1.896 1.885 1.903 . 0 0 "[ . 1 . 2]" 2
668 1 78 ILE HB 1 116 VAL QG 2.213 . 2.825 2.027 1.815 2.260 . 0 0 "[ . 1 . 2]" 2
669 1 84 GLU HB2 1 85 VAL QG 2.572 . 6.000 4.061 3.803 4.576 . 0 0 "[ . 1 . 2]" 2
670 1 78 ILE HG13 1 81 VAL QG 2.986 . 6.000 4.870 3.929 5.777 . 0 0 "[ . 1 . 2]" 2
671 1 23 ILE MG 1 46 ALA MB 2.078 . 2.618 1.908 1.792 2.094 . 0 0 "[ . 1 . 2]" 2
672 1 31 TYR HA 1 31 TYR HB2 2.798 . 3.777 2.726 2.418 3.032 . 0 0 "[ . 1 . 2]" 2
673 1 78 ILE MG 1 116 VAL HB 2.661 . 6.000 3.590 2.748 3.846 . 0 0 "[ . 1 . 2]" 2
674 1 66 ILE HB 1 74 VAL MG2 2.566 . 3.389 3.181 1.823 3.762 0.373 5 0 "[ . 1 . 2]" 2
675 1 66 ILE HB 1 66 ILE MG 2.245 . 2.875 2.115 2.103 2.123 . 0 0 "[ . 1 . 2]" 2
676 1 73 GLU HB2 1 73 GLU HG2 2.823 . 3.819 3.002 2.986 3.011 . 0 0 "[ . 1 . 2]" 2
677 1 100 GLU HA 1 100 GLU HG2 3.001 . 4.127 3.787 3.736 3.847 . 0 0 "[ . 1 . 2]" 2
678 1 85 VAL HA 1 85 VAL HB 2.643 . 3.516 2.502 2.252 3.006 . 0 0 "[ . 1 . 2]" 2
679 1 116 VAL HA 1 116 VAL HB 2.516 . 3.307 2.532 2.378 2.864 . 0 0 "[ . 1 . 2]" 2
680 1 32 CYS HA 1 32 CYS HB3 2.984 . 4.097 2.604 2.398 3.028 . 0 0 "[ . 1 . 2]" 2
681 1 49 ASP HA 1 49 ASP QB 2.598 . 3.175 2.383 2.360 2.423 . 0 0 "[ . 1 . 2]" 2
682 1 8 PRO HB3 1 8 PRO QD 2.798 . 3.777 3.141 2.815 3.538 . 0 0 "[ . 1 . 2]" 2
683 1 79 GLN QB 1 80 GLU HA 2.681 . 6.000 4.103 3.489 4.597 . 0 0 "[ . 1 . 2]" 2
684 1 92 LEU QB 1 92 LEU QD 2.623 . 3.483 1.942 1.823 2.089 . 0 0 "[ . 1 . 2]" 2
685 1 37 ILE HA 1 37 ILE MG 2.786 . 3.756 3.198 3.159 3.219 . 0 0 "[ . 1 . 2]" 2
686 1 37 ILE HA 1 37 ILE MD 2.697 . 3.606 3.168 2.725 3.731 0.125 18 0 "[ . 1 . 2]" 2
687 1 37 ILE MD 1 54 ALA HA 2.671 . 3.563 2.180 1.955 2.523 . 0 0 "[ . 1 . 2]" 2
688 1 37 ILE HB 1 37 ILE MD 2.304 . 6.000 3.151 2.583 3.226 . 0 0 "[ . 1 . 2]" 2
689 1 37 ILE MD 1 37 ILE HG13 2.745 . 3.687 2.121 2.099 2.126 . 0 0 "[ . 1 . 2]" 2
690 1 37 ILE MD 1 54 ALA MB 2.604 . 3.452 3.076 2.849 3.455 0.003 18 0 "[ . 1 . 2]" 2
691 1 37 ILE MD 1 37 ILE HG12 2.224 . 2.843 2.115 2.103 2.119 . 0 0 "[ . 1 . 2]" 2
692 1 72 VAL HB 1 72 VAL MG2 2.072 . 2.609 2.109 2.103 2.111 . 0 0 "[ . 1 . 2]" 2
693 1 72 VAL HB 1 72 VAL MG1 2.200 . 2.805 2.124 2.095 2.128 . 0 0 "[ . 1 . 2]" 2
694 1 81 VAL QG 1 84 GLU HB2 2.631 . 6.000 4.897 3.977 5.396 . 0 0 "[ . 1 . 2]" 2
695 1 101 VAL HB 1 101 VAL MG1 2.326 . 3.002 2.122 2.108 2.129 . 0 0 "[ . 1 . 2]" 2
696 1 101 VAL HB 1 101 VAL MG2 2.276 . 2.923 2.123 2.117 2.127 . 0 0 "[ . 1 . 2]" 2
697 1 38 VAL HB 1 38 VAL MG1 2.169 . 2.757 2.130 2.126 2.140 . 0 0 "[ . 1 . 2]" 2
698 1 62 ASN HA 1 62 ASN HB3 2.806 . 3.791 2.878 2.509 3.030 . 0 0 "[ . 1 . 2]" 2
699 1 8 PRO HA 1 8 PRO HB3 2.648 . 3.525 2.273 2.233 2.332 . 0 0 "[ . 1 . 2]" 2
700 1 48 LEU HA 1 48 LEU QD 2.448 . 3.197 2.617 1.968 3.264 0.067 14 0 "[ . 1 . 2]" 2
701 1 87 ILE HA 1 87 ILE MD 2.596 . 3.438 3.340 3.239 3.425 . 0 0 "[ . 1 . 2]" 2
702 1 64 ARG HA 1 64 ARG HB3 2.570 . 3.395 2.335 2.231 2.425 . 0 0 "[ . 1 . 2]" 2
703 1 84 GLU HA 1 84 GLU HB2 2.830 . 3.831 2.397 2.358 2.434 . 0 0 "[ . 1 . 2]" 2
704 1 91 LYS HD3 1 91 LYS HE2 2.687 . 3.590 2.465 2.245 2.583 . 0 0 "[ . 1 . 2]" 2
705 1 64 ARG HD3 1 64 ARG HG3 2.615 . 3.470 2.658 2.422 3.017 . 0 0 "[ . 1 . 2]" 2
706 1 64 ARG HD3 1 64 ARG HG2 2.558 . 3.376 2.689 2.409 3.015 . 0 0 "[ . 1 . 2]" 2
707 1 64 ARG HB3 1 64 ARG HD3 2.712 . 3.631 2.836 2.260 3.656 0.025 4 0 "[ . 1 . 2]" 2
708 1 48 LEU QD 1 49 ASP QB 2.718 . 3.625 2.125 1.881 2.396 . 0 0 "[ . 1 . 2]" 2
709 1 59 THR MG 1 90 ASN QB 2.185 . 6.000 3.482 2.112 4.413 . 0 0 "[ . 1 . 2]" 2
710 1 76 LYS HB3 1 77 MET QG 2.587 . 3.424 3.361 3.188 3.472 0.048 13 0 "[ . 1 . 2]" 2
711 1 74 VAL HA 1 74 VAL HB 2.493 . 3.270 2.454 2.397 2.851 . 0 0 "[ . 1 . 2]" 2
712 1 6 PRO HG2 1 90 ASN QB 2.719 . 3.643 2.901 1.815 3.613 . 0 0 "[ . 1 . 2]" 2
713 1 48 LEU QB 1 48 LEU QD 2.320 . 2.993 1.927 1.785 2.050 . 0 0 "[ . 1 . 2]" 2
714 1 23 ILE HG13 1 23 ILE MG 2.602 . 3.448 2.671 2.560 2.762 . 0 0 "[ . 1 . 2]" 2
715 1 106 PRO HA 1 106 PRO HD3 2.415 . 3.144 3.152 2.571 3.324 0.180 11 0 "[ . 1 . 2]" 2
716 1 59 THR HA 1 59 THR HB 2.400 . 3.120 2.431 2.365 2.517 . 0 0 "[ . 1 . 2]" 2
717 1 41 PHE HA 1 41 PHE HB3 2.759 . 3.710 2.477 2.409 2.540 . 0 0 "[ . 1 . 2]" 2
718 1 94 ALA HA 1 94 ALA MB 2.367 . 3.067 2.124 2.109 2.142 . 0 0 "[ . 1 . 2]" 2
719 1 59 THR HB 1 59 THR MG 2.258 . 2.896 2.127 2.109 2.134 . 0 0 "[ . 1 . 2]" 2
720 1 43 ASN HA 1 48 LEU QD 2.832 . 3.834 2.497 1.784 3.661 0.046 9 0 "[ . 1 . 2]" 2
721 1 17 ALA HA 1 17 ALA MB 2.052 . 2.578 2.128 2.124 2.132 . 0 0 "[ . 1 . 2]" 2
722 1 77 MET HA 1 77 MET HB3 2.221 . 2.838 2.499 2.447 2.570 . 0 0 "[ . 1 . 2]" 2
723 1 98 GLN HA 1 98 GLN HB3 2.271 . 2.916 2.532 2.423 2.593 . 0 0 "[ . 1 . 2]" 2
724 1 98 GLN HA 1 98 GLN HB2 2.566 . 3.389 2.894 2.353 3.001 . 0 0 "[ . 1 . 2]" 2
725 1 96 PRO HA 1 96 PRO HB3 2.496 . 3.275 2.336 2.327 2.352 . 0 0 "[ . 1 . 2]" 2
726 1 77 MET HA 1 77 MET QG 2.786 . 3.242 2.559 2.338 2.991 . 0 0 "[ . 1 . 2]" 2
727 1 73 GLU HA 1 73 GLU HG3 2.615 . 3.470 3.205 3.071 3.304 . 0 0 "[ . 1 . 2]" 2
728 1 73 GLU HA 1 73 GLU HG2 2.586 . 3.422 2.529 2.367 2.601 . 0 0 "[ . 1 . 2]" 2
729 1 77 MET HA 1 77 MET HB2 2.280 . 2.930 2.988 2.961 3.004 0.074 14 0 "[ . 1 . 2]" 2
730 1 80 GLU HA 1 80 GLU HG3 2.408 . 6.000 2.772 2.405 3.167 . 0 0 "[ . 1 . 2]" 2
731 1 6 PRO HD2 1 6 PRO HG2 2.308 . 2.974 2.280 2.246 2.337 . 0 0 "[ . 1 . 2]" 2
732 1 73 GLU HA 1 73 GLU HB2 2.344 . 3.031 3.018 3.015 3.024 . 0 0 "[ . 1 . 2]" 2
733 1 52 VAL HA 1 52 VAL HB 2.617 . 3.473 2.516 2.421 2.767 . 0 0 "[ . 1 . 2]" 2
734 1 76 LYS HA 1 76 LYS HG3 2.639 . 3.509 2.470 2.408 2.537 . 0 0 "[ . 1 . 2]" 2
735 1 51 THR HA 1 51 THR MG 2.416 . 3.145 2.589 2.050 3.219 0.074 15 0 "[ . 1 . 2]" 2
736 1 20 LEU QD 1 44 THR HB 2.547 . 6.000 3.757 3.562 4.159 . 0 0 "[ . 1 . 2]" 2
737 1 23 ILE MG 1 40 VAL HA 2.383 . 3.093 3.019 2.804 3.097 0.004 18 0 "[ . 1 . 2]" 2
738 1 16 ASP HA 1 44 THR HB 2.790 . 6.000 5.870 5.565 6.024 0.024 2 0 "[ . 1 . 2]" 2
739 1 45 PRO HA 1 45 PRO HB2 2.454 . 3.207 2.819 2.805 2.843 . 0 0 "[ . 1 . 2]" 2
740 1 45 PRO HA 1 45 PRO HB3 2.580 . 3.412 2.276 2.270 2.288 . 0 0 "[ . 1 . 2]" 2
741 1 45 PRO HA 1 48 LEU HG 2.740 . 3.679 3.015 2.081 3.806 0.127 18 0 "[ . 1 . 2]" 2
742 1 96 PRO HA 1 99 LEU HB3 2.876 . 3.910 2.405 2.115 2.800 . 0 0 "[ . 1 . 2]" 2
743 1 45 PRO HA 1 48 LEU QB 2.951 . 4.039 3.140 2.307 4.136 0.097 20 0 "[ . 1 . 2]" 2
744 1 96 PRO HA 1 99 LEU HB2 3.025 . 4.169 3.387 2.766 4.161 . 0 0 "[ . 1 . 2]" 2
745 1 45 PRO HA 1 48 LEU QD 2.794 . 3.769 2.825 1.584 3.666 0.235 20 0 "[ . 1 . 2]" 2
746 1 96 PRO HA 1 99 LEU MD1 2.937 . 4.015 3.346 2.845 3.793 . 0 0 "[ . 1 . 2]" 2
747 1 39 GLN QB 1 40 VAL HA 2.936 . 6.000 4.621 3.749 4.782 . 0 0 "[ . 1 . 2]" 2
748 1 38 VAL HB 1 39 GLN QB 2.758 . 3.709 3.379 3.030 3.585 . 0 0 "[ . 1 . 2]" 2
749 1 23 ILE HB 1 40 VAL HA 3.111 . 4.321 4.290 3.943 4.370 0.049 19 0 "[ . 1 . 2]" 2
750 1 40 VAL HA 1 40 VAL HB 2.937 . 4.015 2.544 2.512 2.566 . 0 0 "[ . 1 . 2]" 2
751 1 23 ILE HB 1 40 VAL MG1 2.932 . 6.000 5.696 5.581 5.832 . 0 0 "[ . 1 . 2]" 2
752 1 40 VAL MG1 1 53 ALA MB 2.596 . 3.438 2.046 1.914 2.143 . 0 0 "[ . 1 . 2]" 2
753 1 40 VAL MG2 1 54 ALA MB 2.276 . 6.000 4.965 4.795 5.130 . 0 0 "[ . 1 . 2]" 2
754 1 41 PHE HA 1 41 PHE HB2 2.796 . 3.773 3.023 3.017 3.026 . 0 0 "[ . 1 . 2]" 2
755 1 21 ILE HB 1 46 ALA MB 2.874 . 3.907 1.921 1.812 2.409 0.029 13 0 "[ . 1 . 2]" 2
756 1 46 ALA MB 1 47 ALA MB 2.852 . 3.869 3.503 3.429 3.587 . 0 0 "[ . 1 . 2]" 2
757 1 40 VAL MG1 1 46 ALA MB 2.229 . 6.000 4.451 4.217 4.689 . 0 0 "[ . 1 . 2]" 2
758 1 99 LEU HB2 1 99 LEU MD2 2.679 . 3.576 2.514 2.486 2.588 . 0 0 "[ . 1 . 2]" 2
759 1 99 LEU HB3 1 99 LEU MD2 2.904 . 3.958 3.191 3.180 3.201 . 0 0 "[ . 1 . 2]" 2
760 1 99 LEU HB3 1 99 LEU MD1 2.696 . 3.605 2.274 2.226 2.311 . 0 0 "[ . 1 . 2]" 2
761 1 99 LEU HB2 1 99 LEU MD1 2.679 . 3.576 3.179 3.169 3.193 . 0 0 "[ . 1 . 2]" 2
762 1 75 ALA MB 1 116 VAL QG 2.336 . 3.018 2.594 2.134 2.781 . 0 0 "[ . 1 . 2]" 2
763 1 13 LEU MD2 1 49 ASP QB 2.924 . 3.993 3.243 1.862 4.425 0.432 19 0 "[ . 1 . 2]" 2
764 1 53 ALA HA 1 54 ALA MB 2.888 . 6.000 4.180 4.104 4.259 . 0 0 "[ . 1 . 2]" 2
765 1 54 ALA HA 1 54 ALA MB 2.438 . 3.181 2.121 2.111 2.127 . 0 0 "[ . 1 . 2]" 2
766 1 37 ILE MG 1 56 ASP HB3 2.916 . 3.979 3.042 2.007 3.822 . 0 0 "[ . 1 . 2]" 2
767 1 70 THR HA 1 74 VAL MG1 2.634 . 6.000 3.952 3.345 5.092 . 0 0 "[ . 1 . 2]" 2
768 1 71 LYS QB 1 74 VAL MG1 2.729 . 6.000 4.720 3.502 4.951 . 0 0 "[ . 1 . 2]" 2
769 1 65 SER HA 1 66 ILE MD 2.706 . 3.621 3.527 3.291 3.700 0.079 3 0 "[ . 1 . 2]" 2
770 1 66 ILE HA 1 69 LYS HD3 2.901 . 3.953 2.483 1.947 3.939 . 0 0 "[ . 1 . 2]" 2
771 1 66 ILE HA 1 69 LYS HD2 2.896 . 3.945 3.010 2.189 3.538 . 0 0 "[ . 1 . 2]" 2
772 1 66 ILE HA 1 66 ILE HB 2.577 . 3.407 2.374 2.297 2.679 . 0 0 "[ . 1 . 2]" 2
773 1 66 ILE MD 1 66 ILE HG13 2.035 . 2.552 2.117 2.105 2.123 . 0 0 "[ . 1 . 2]" 2
774 1 66 ILE HB 1 66 ILE MD 2.593 . 3.434 3.162 2.408 3.264 . 0 0 "[ . 1 . 2]" 2
775 1 67 LYS HB2 1 67 LYS HG3 2.509 . 3.296 2.578 2.346 3.014 . 0 0 "[ . 1 . 2]" 2
776 1 76 LYS QB 1 76 LYS HG3 2.536 . 3.340 2.393 2.369 2.414 . 0 0 "[ . 1 . 2]" 2
777 1 76 LYS HB3 1 76 LYS HG3 2.544 . 3.353 2.996 2.983 3.002 . 0 0 "[ . 1 . 2]" 2
778 1 76 LYS HB3 1 76 LYS HG2 2.518 . 3.310 2.348 2.322 2.377 . 0 0 "[ . 1 . 2]" 2
779 1 91 LYS HB2 1 91 LYS HG2 2.534 . 3.336 2.530 2.347 2.996 . 0 0 "[ . 1 . 2]" 2
780 1 85 VAL HA 1 85 VAL QG 2.926 . 3.996 2.345 2.086 2.589 . 0 0 "[ . 1 . 2]" 2
781 1 70 THR HA 1 71 LYS HG2 3.000 . 4.125 3.870 3.663 4.135 0.010 10 0 "[ . 1 . 2]" 2
782 1 72 VAL HA 1 72 VAL MG2 2.400 . 3.120 2.408 2.321 2.913 . 0 0 "[ . 1 . 2]" 2
783 1 72 VAL HA 1 72 VAL MG1 2.446 . 3.194 3.145 2.132 3.207 0.013 18 0 "[ . 1 . 2]" 2
784 1 72 VAL HA 1 72 VAL HB 2.653 . 3.533 2.424 2.381 2.870 . 0 0 "[ . 1 . 2]" 2
785 1 26 GLY HA3 1 38 VAL MG2 2.440 . 3.184 2.686 2.051 3.276 0.092 9 0 "[ . 1 . 2]" 2
786 1 38 VAL HB 1 38 VAL MG2 2.157 . 2.738 2.128 2.125 2.130 . 0 0 "[ . 1 . 2]" 2
787 1 73 GLU HB3 1 73 GLU HG3 2.762 . 3.716 3.002 2.988 3.008 . 0 0 "[ . 1 . 2]" 2
788 1 73 GLU HA 1 73 GLU HB3 2.978 . 4.086 2.441 2.407 2.495 . 0 0 "[ . 1 . 2]" 2
789 1 73 GLU HB2 1 73 GLU HG3 2.659 . 3.543 2.395 2.320 2.426 . 0 0 "[ . 1 . 2]" 2
790 1 72 VAL MG2 1 73 GLU HA 3.006 . 4.135 3.526 3.358 4.431 0.296 4 0 "[ . 1 . 2]" 2
791 1 74 VAL HB 1 74 VAL MG2 2.241 . 2.869 2.112 2.076 2.122 . 0 0 "[ . 1 . 2]" 2
792 1 75 ALA MB 1 114 LEU QD 2.077 . 2.616 1.932 1.693 2.511 . 0 0 "[ . 1 . 2]" 2
793 1 74 VAL MG1 1 75 ALA MB 2.526 . 6.000 4.966 3.065 5.143 . 0 0 "[ . 1 . 2]" 2
794 1 76 LYS HA 1 79 GLN QG 2.895 . 3.943 2.844 1.932 3.860 . 0 0 "[ . 1 . 2]" 2
795 1 74 VAL HB 1 77 MET QG 2.876 . 6.000 4.727 4.347 5.151 . 0 0 "[ . 1 . 2]" 2
796 1 78 ILE HA 1 78 ILE HG13 2.436 . 3.178 2.983 2.596 3.676 0.498 19 0 "[ . 1 . 2]" 2
797 1 78 ILE HA 1 78 ILE MG 2.465 . 3.225 2.586 2.504 2.677 . 0 0 "[ . 1 . 2]" 2
798 1 78 ILE HG13 1 78 ILE MG 1.975 . 6.000 2.965 2.376 3.221 . 0 0 "[ . 1 . 2]" 2
799 1 78 ILE HB 1 78 ILE MG 2.358 . 3.053 2.122 2.102 2.137 . 0 0 "[ . 1 . 2]" 2
800 1 20 LEU HB2 1 78 ILE MG 2.916 . 3.979 3.980 3.654 4.057 0.078 17 0 "[ . 1 . 2]" 2
801 1 15 LYS QD 1 78 ILE MG 2.699 . 3.610 3.192 2.935 3.303 . 0 0 "[ . 1 . 2]" 2
802 1 100 GLU HA 1 100 GLU HB3 2.361 . 3.058 2.419 2.391 2.471 . 0 0 "[ . 1 . 2]" 2
803 1 80 GLU HB3 1 80 GLU HG3 2.206 . 2.814 2.799 2.474 3.007 0.193 16 0 "[ . 1 . 2]" 2
804 1 100 GLU HG3 1 101 VAL HB 2.245 . 6.000 4.019 3.043 4.548 . 0 0 "[ . 1 . 2]" 2
805 1 100 GLU HB3 1 100 GLU HG2 2.154 . 2.734 2.335 2.292 2.372 . 0 0 "[ . 1 . 2]" 2
806 1 84 GLU HB3 1 84 GLU HG2 2.336 . 3.018 2.388 2.352 2.446 . 0 0 "[ . 1 . 2]" 2
807 1 81 VAL HA 1 81 VAL HB 2.897 . 3.946 2.436 2.353 2.743 . 0 0 "[ . 1 . 2]" 2
808 1 56 ASP HB3 1 58 ILE MD 2.842 . 3.851 3.167 2.337 3.959 0.108 19 0 "[ . 1 . 2]" 2
809 1 23 ILE HB 1 23 ILE MD 2.483 . 3.254 2.265 2.197 2.375 . 0 0 "[ . 1 . 2]" 2
810 1 23 ILE MG 1 37 ILE HG13 2.421 . 3.154 2.696 2.375 3.145 . 0 0 "[ . 1 . 2]" 2
811 1 84 GLU HA 1 84 GLU HB3 2.937 . 4.015 2.496 2.437 2.540 . 0 0 "[ . 1 . 2]" 2
812 1 84 GLU HB2 1 84 GLU QG 2.341 . 3.026 2.361 2.321 2.393 . 0 0 "[ . 1 . 2]" 2
813 1 21 ILE MG 1 85 VAL HB 2.792 . 3.766 3.130 2.743 3.688 . 0 0 "[ . 1 . 2]" 2
814 1 78 ILE HA 1 81 VAL QG 2.912 . 3.972 2.682 1.980 3.088 . 0 0 "[ . 1 . 2]" 2
815 1 81 VAL HB 1 81 VAL QG 2.180 . 2.774 1.894 1.876 1.899 . 0 0 "[ . 1 . 2]" 2
816 1 86 THR MG 1 87 ILE MD 2.307 . 6.000 4.117 3.719 4.403 . 0 0 "[ . 1 . 2]" 2
817 1 87 ILE HB 1 87 ILE MG 2.344 . 3.031 2.116 2.101 2.124 . 0 0 "[ . 1 . 2]" 2
818 1 87 ILE HB 1 87 ILE MD 2.623 . 3.483 3.217 3.190 3.231 . 0 0 "[ . 1 . 2]" 2
819 1 87 ILE HB 1 87 ILE HG12 2.870 . 3.899 2.572 2.493 2.637 . 0 0 "[ . 1 . 2]" 2
820 1 87 ILE HB 1 87 ILE HG13 2.868 . 3.896 2.339 2.307 2.368 . 0 0 "[ . 1 . 2]" 2
821 1 11 VAL QG 1 87 ILE HG12 2.620 . 3.478 2.103 1.852 2.464 0.002 1 0 "[ . 1 . 2]" 2
822 1 90 ASN HA 1 90 ASN QB 2.943 . 4.026 2.320 2.176 2.518 . 0 0 "[ . 1 . 2]" 2
823 1 5 ILE HB 1 90 ASN QB 2.792 . 3.767 2.366 1.912 3.457 . 0 0 "[ . 1 . 2]" 2
824 1 114 LEU HB2 1 114 LEU QD 2.090 . 2.636 2.211 2.084 2.493 . 0 0 "[ . 1 . 2]" 2
825 1 76 LYS HA 1 76 LYS QD 2.943 . 4.026 3.851 3.811 3.887 . 0 0 "[ . 1 . 2]" 2
826 1 67 LYS HB3 1 67 LYS HG3 2.685 . 3.586 2.815 2.373 3.017 . 0 0 "[ . 1 . 2]" 2
827 1 98 GLN HA 1 98 GLN HG2 2.720 . 3.645 3.025 2.548 3.696 0.051 15 0 "[ . 1 . 2]" 2
828 1 98 GLN HA 1 98 GLN HG3 2.734 . 3.668 3.580 2.785 3.728 0.060 10 0 "[ . 1 . 2]" 2
829 1 101 VAL HA 1 101 VAL HB 2.821 . 3.816 2.933 2.545 3.028 . 0 0 "[ . 1 . 2]" 2
830 1 104 GLN HA 1 104 GLN HB3 2.735 . 3.670 2.741 2.293 3.026 . 0 0 "[ . 1 . 2]" 2
831 1 104 GLN HA 1 104 GLN HB2 2.998 . 4.122 2.720 2.407 3.023 . 0 0 "[ . 1 . 2]" 2
832 1 106 PRO HD2 1 106 PRO HG3 2.352 . 3.043 2.712 2.625 2.941 . 0 0 "[ . 1 . 2]" 2
833 1 116 VAL HA 1 116 VAL QG 2.506 . 3.074 2.201 2.080 2.306 . 0 0 "[ . 1 . 2]" 2
834 1 63 GLY HA3 1 64 ARG HA 2.918 . 6.000 4.410 4.371 4.477 . 0 0 "[ . 1 . 2]" 2
835 1 8 PRO HB2 1 8 PRO QD 2.840 . 6.000 3.368 2.847 3.549 . 0 0 "[ . 1 . 2]" 2
836 1 91 LYS HD3 1 91 LYS HE3 2.879 . 3.915 3.003 2.936 3.018 . 0 0 "[ . 1 . 2]" 2
837 1 75 ALA MB 1 76 LYS HB3 2.705 . 6.000 4.660 4.535 4.818 . 0 0 "[ . 1 . 2]" 2
838 1 23 ILE HB 1 37 ILE HG12 2.832 . 3.834 2.518 2.087 3.593 . 0 0 "[ . 1 . 2]" 2
839 1 15 LYS QD 1 15 LYS HG3 2.517 . 3.309 2.433 2.120 2.519 . 0 0 "[ . 1 . 2]" 2
840 1 21 ILE HG12 1 116 VAL QG 2.588 . 3.426 2.972 2.699 3.157 . 0 0 "[ . 1 . 2]" 2
841 1 20 LEU HB2 1 116 VAL QG 2.246 . 2.877 2.377 2.107 2.871 . 0 0 "[ . 1 . 2]" 2
842 1 43 ASN HB2 1 44 THR MG 4.498 . 7.027 3.756 3.465 3.987 . 0 0 "[ . 1 . 2]" 2
843 1 40 VAL HA 1 40 VAL MG1 2.373 . 6.000 3.201 3.191 3.208 . 0 0 "[ . 1 . 2]" 2
844 1 11 VAL QG 1 12 THR HA 2.927 . 3.998 3.668 3.317 3.926 . 0 0 "[ . 1 . 2]" 2
845 1 92 LEU QB 1 94 ALA MB 3.081 . 4.267 4.104 3.166 4.422 0.155 9 0 "[ . 1 . 2]" 2
846 1 52 VAL QG 1 87 ILE MG 2.214 . 2.827 2.499 2.222 2.622 . 0 0 "[ . 1 . 2]" 2
847 1 66 ILE HG12 1 69 LYS HD2 2.503 . 6.000 5.390 3.895 6.774 0.774 3 2 "[ + . 1 - . 2]" 2
848 1 69 LYS HB3 1 69 LYS HD3 2.521 . 6.000 3.577 2.508 3.710 . 0 0 "[ . 1 . 2]" 2
849 1 69 LYS HB3 1 69 LYS HD2 2.787 . 3.758 2.995 2.606 3.681 . 0 0 "[ . 1 . 2]" 2
850 1 5 ILE QG 1 90 ASN QB 2.845 . 3.856 3.459 2.621 3.749 . 0 0 "[ . 1 . 2]" 2
851 1 74 VAL HA 1 74 VAL MG2 2.257 . 6.000 3.159 2.113 3.229 . 0 0 "[ . 1 . 2]" 2
852 1 81 VAL QG 1 85 VAL HA 2.553 . 3.368 3.223 2.640 3.369 0.001 2 0 "[ . 1 . 2]" 2
853 1 76 LYS HG2 1 80 GLU HB3 2.930 . 4.003 4.004 3.436 4.163 0.160 16 0 "[ . 1 . 2]" 2
854 1 64 ARG HA 1 64 ARG HG2 2.667 . 6.000 3.587 3.371 3.651 . 0 0 "[ . 1 . 2]" 2
855 1 39 GLN HA 1 54 ALA MB 2.460 . 3.216 2.194 1.815 2.556 . 0 0 "[ . 1 . 2]" 2
856 1 35 LEU QD 1 35 LEU HG 2.195 . 2.797 1.891 1.881 1.897 . 0 0 "[ . 1 . 2]" 2
857 1 20 LEU HB2 1 21 ILE HG13 2.429 . 3.166 3.240 3.208 3.309 0.143 6 0 "[ . 1 . 2]" 2
858 1 6 PRO HG3 1 92 LEU QD 2.263 . 2.903 1.878 1.596 2.667 0.027 9 0 "[ . 1 . 2]" 2
859 1 37 ILE HB 1 58 ILE MD 2.492 . 3.268 2.256 1.780 3.021 . 0 0 "[ . 1 . 2]" 2
860 1 58 ILE MD 1 58 ILE HG12 2.283 . 2.934 2.112 2.104 2.115 . 0 0 "[ . 1 . 2]" 2
861 1 58 ILE HB 1 58 ILE MD 2.381 . 6.000 2.909 2.296 3.237 . 0 0 "[ . 1 . 2]" 2
862 1 40 VAL HA 1 40 VAL MG2 2.552 . 3.366 2.283 2.249 2.332 . 0 0 "[ . 1 . 2]" 2
863 1 40 VAL MG1 1 53 ALA HA 2.373 . 3.077 2.037 1.906 2.268 . 0 0 "[ . 1 . 2]" 2
864 1 61 VAL QG 1 66 ILE HA 2.403 . 3.125 2.850 2.001 3.328 0.203 12 0 "[ . 1 . 2]" 2
865 1 60 GLY HA2 1 61 VAL QG 2.363 . 3.061 3.057 2.814 3.148 0.087 16 0 "[ . 1 . 2]" 2
866 1 71 LYS QB 1 71 LYS QE 3.778 . 3.809 2.541 1.920 3.543 0.074 9 0 "[ . 1 . 2]" 2
867 1 44 THR HB 1 45 PRO HD3 2.182 . 6.000 3.724 3.576 3.922 . 0 0 "[ . 1 . 2]" 2
868 1 61 VAL QG 1 62 ASN HA 3.102 . 4.305 3.998 3.771 4.310 0.005 16 0 "[ . 1 . 2]" 2
869 1 61 VAL QG 1 62 ASN HB3 3.212 . 4.502 2.995 2.188 3.703 . 0 0 "[ . 1 . 2]" 2
870 1 114 LEU HB3 1 114 LEU QD 2.622 . 2.776 2.094 1.979 2.254 . 0 0 "[ . 1 . 2]" 2
871 1 87 ILE MD 1 87 ILE HG12 2.434 . 3.174 2.111 2.088 2.123 . 0 0 "[ . 1 . 2]" 2
872 1 87 ILE MD 1 87 ILE MG 2.071 . 2.607 1.956 1.898 2.094 . 0 0 "[ . 1 . 2]" 2
873 1 37 ILE HG13 1 58 ILE MD 2.384 . 3.094 3.083 2.915 3.149 0.055 10 0 "[ . 1 . 2]" 2
874 1 21 ILE HG13 1 23 ILE MD 2.724 . 3.651 3.585 3.329 3.679 0.028 2 0 "[ . 1 . 2]" 2
875 1 23 ILE MD 1 37 ILE HG13 2.821 . 3.816 3.695 3.237 3.880 0.064 15 0 "[ . 1 . 2]" 2
876 1 7 VAL HB 1 7 VAL MG2 1.974 . 2.461 2.126 2.113 2.132 . 0 0 "[ . 1 . 2]" 2
877 1 5 ILE HA 1 5 ILE MD 3.106 . 4.312 4.140 3.455 4.189 . 0 0 "[ . 1 . 2]" 2
878 1 5 ILE HB 1 6 PRO HD2 2.954 . 4.045 1.957 1.802 2.333 0.061 3 0 "[ . 1 . 2]" 2
879 1 56 ASP HB3 1 91 LYS HE2 2.293 . 6.000 5.046 4.348 6.106 0.106 1 0 "[ . 1 . 2]" 2
880 1 56 ASP HB2 1 91 LYS HE2 2.623 . 6.000 5.561 4.210 6.083 0.083 16 0 "[ . 1 . 2]" 2
881 1 41 PHE HB2 1 44 THR MG 2.532 . 3.334 1.896 1.699 2.177 0.031 4 0 "[ . 1 . 2]" 2
882 1 41 PHE HB3 1 44 THR MG 2.624 . 3.485 2.833 2.553 3.322 . 0 0 "[ . 1 . 2]" 2
883 1 56 ASP HB2 1 58 ILE MD 2.944 . 4.027 3.619 2.599 3.970 . 0 0 "[ . 1 . 2]" 2
884 1 22 GLY HA2 1 44 THR MG 2.639 . 3.510 2.714 2.556 2.831 . 0 0 "[ . 1 . 2]" 2
885 1 23 ILE MG 1 24 SER HA 2.961 . 6.000 5.296 5.225 5.347 . 0 0 "[ . 1 . 2]" 2
886 1 65 SER HB3 1 66 ILE MG 2.538 . 6.000 4.882 4.475 6.071 0.071 3 0 "[ . 1 . 2]" 2
887 1 74 VAL HA 1 77 MET QG 2.884 . 3.924 2.604 2.240 3.237 . 0 0 "[ . 1 . 2]" 2
888 1 52 VAL HB 1 58 ILE MD 2.454 . 3.207 2.782 1.876 3.455 0.248 18 0 "[ . 1 . 2]" 2
889 1 21 ILE HG13 1 116 VAL HA 3.107 . 4.314 4.433 4.347 4.576 0.262 17 0 "[ . 1 . 2]" 2
890 1 75 ALA HA 1 116 VAL HA 3.419 . 6.000 5.042 4.982 5.142 . 0 0 "[ . 1 . 2]" 2
891 1 71 LYS QB 1 114 LEU QD 2.714 . 3.635 2.034 1.806 2.804 0.002 9 0 "[ . 1 . 2]" 2
892 1 114 LEU HA 1 114 LEU QD 2.603 . 6.000 2.648 1.775 3.407 . 0 0 "[ . 1 . 2]" 2
893 1 15 LYS QD 1 20 LEU HA 3.048 . 3.814 2.716 2.482 3.307 . 0 0 "[ . 1 . 2]" 2
894 1 44 THR HG1 1 44 THR MG 2.531 . 3.332 2.422 2.103 2.789 . 0 0 "[ . 1 . 2]" 2
895 1 44 THR HA 1 44 THR MG 2.394 . 3.110 2.428 2.345 2.499 . 0 0 "[ . 1 . 2]" 2
896 1 23 ILE HA 1 23 ILE HB 2.384 . 3.094 2.502 2.481 2.529 . 0 0 "[ . 1 . 2]" 2
897 1 23 ILE HA 1 23 ILE MG 2.429 . 2.825 2.306 2.269 2.344 . 0 0 "[ . 1 . 2]" 2
898 1 23 ILE HA 1 40 VAL HA 2.293 . 2.950 2.308 2.109 2.480 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 159
_Distance_constraint_stats_list.Viol_total 188.026
_Distance_constraint_stats_list.Viol_max 0.229
_Distance_constraint_stats_list.Viol_rms 0.0342
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0124
_Distance_constraint_stats_list.Viol_average_violations_only 0.0591
_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 9 GLY 0.254 0.123 12 0 "[ . 1 . 2]"
1 11 VAL 0.226 0.074 18 0 "[ . 1 . 2]"
1 13 LEU 0.030 0.028 13 0 "[ . 1 . 2]"
1 15 LYS 0.074 0.025 14 0 "[ . 1 . 2]"
1 16 ASP 0.049 0.020 18 0 "[ . 1 . 2]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.049 0.020 18 0 "[ . 1 . 2]"
1 21 ILE 1.664 0.229 15 0 "[ . 1 . 2]"
1 22 GLY 0.032 0.032 14 0 "[ . 1 . 2]"
1 23 ILE 1.474 0.128 10 0 "[ . 1 . 2]"
1 24 SER 0.113 0.050 20 0 "[ . 1 . 2]"
1 25 ILE 0.824 0.167 10 0 "[ . 1 . 2]"
1 26 GLY 0.429 0.084 5 0 "[ . 1 . 2]"
1 36 TYR 0.429 0.084 5 0 "[ . 1 . 2]"
1 37 ILE 1.471 0.202 7 0 "[ . 1 . 2]"
1 38 VAL 0.113 0.050 20 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 0.032 0.032 14 0 "[ . 1 . 2]"
1 44 THR 0.089 0.030 14 0 "[ . 1 . 2]"
1 45 PRO 0.208 0.119 20 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.089 0.030 14 0 "[ . 1 . 2]"
1 49 ASP 0.208 0.119 20 0 "[ . 1 . 2]"
1 53 ALA 0.250 0.148 12 0 "[ . 1 . 2]"
1 55 GLY 0.157 0.040 14 0 "[ . 1 . 2]"
1 56 ASP 1.563 0.202 7 0 "[ . 1 . 2]"
1 57 GLU 1.625 0.210 19 0 "[ . 1 . 2]"
1 59 THR 0.164 0.055 20 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 VAL 0.019 0.008 1 0 "[ . 1 . 2]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 0.019 0.008 1 0 "[ . 1 . 2]"
1 66 ILE 0.164 0.055 20 0 "[ . 1 . 2]"
1 70 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.032 0.018 17 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.374 0.047 19 0 "[ . 1 . 2]"
1 77 MET 0.032 0.018 17 0 "[ . 1 . 2]"
1 78 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLU 0.374 0.047 19 0 "[ . 1 . 2]"
1 83 GLY 0.074 0.025 14 0 "[ . 1 . 2]"
1 85 VAL 0.030 0.028 13 0 "[ . 1 . 2]"
1 86 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ILE 0.226 0.074 18 0 "[ . 1 . 2]"
1 88 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 TYR 0.254 0.123 12 0 "[ . 1 . 2]"
1 90 ASN 1.625 0.210 19 0 "[ . 1 . 2]"
1 114 LEU 0.824 0.167 10 0 "[ . 1 . 2]"
1 116 VAL 3.138 0.229 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 GLY H 1 89 TYR O 2.200 . 2.700 2.244 1.766 2.823 0.123 12 0 "[ . 1 . 2]" 3
2 1 11 VAL H 1 87 ILE O 2.200 . 2.700 2.511 2.154 2.774 0.074 18 0 "[ . 1 . 2]" 3
3 1 13 LEU H 1 85 VAL O 2.200 . 2.700 2.373 1.728 2.728 0.028 13 0 "[ . 1 . 2]" 3
4 1 15 LYS H 1 83 GLY O 2.200 . 2.700 2.345 1.846 2.725 0.025 14 0 "[ . 1 . 2]" 3
5 1 16 ASP H 1 20 LEU O 2.200 . 2.700 1.788 1.710 1.983 0.020 18 0 "[ . 1 . 2]" 3
6 1 16 ASP O 1 19 ASN H 2.200 . 2.700 1.947 1.849 2.320 . 0 0 "[ . 1 . 2]" 3
7 1 24 SER H 1 39 GLN O 2.200 . 2.700 2.117 1.915 2.319 . 0 0 "[ . 1 . 2]" 3
8 1 26 GLY H 1 36 TYR O 2.200 . 2.700 2.010 1.661 2.784 0.084 5 0 "[ . 1 . 2]" 3
9 1 37 ILE H 1 56 ASP O 2.200 . 2.700 2.439 1.736 2.902 0.202 7 0 "[ . 1 . 2]" 3
10 1 24 SER O 1 38 VAL H 2.200 . 2.700 1.785 1.680 1.920 0.050 20 0 "[ . 1 . 2]" 3
11 1 22 GLY O 1 41 PHE H 2.200 . 2.700 2.408 2.166 2.732 0.032 14 0 "[ . 1 . 2]" 3
12 1 21 ILE O 1 46 ALA H 2.200 . 2.700 2.263 2.143 2.528 . 0 0 "[ . 1 . 2]" 3
13 1 44 THR O 1 48 LEU H 2.200 . 2.700 1.741 1.700 1.788 0.030 14 0 "[ . 1 . 2]" 3
14 1 45 PRO O 1 49 ASP H 2.200 . 2.700 2.429 2.093 2.819 0.119 20 0 "[ . 1 . 2]" 3
15 1 37 ILE O 1 55 GLY H 2.200 . 2.700 2.402 1.841 2.740 0.040 14 0 "[ . 1 . 2]" 3
16 1 53 ALA O 1 56 ASP H 2.200 . 2.700 2.449 2.095 2.848 0.148 12 0 "[ . 1 . 2]" 3
17 1 57 GLU H 1 90 ASN O 2.200 . 2.700 2.560 1.775 2.910 0.210 19 0 "[ . 1 . 2]" 3
18 1 59 THR H 1 88 HIS O 2.200 . 2.700 2.003 1.785 2.647 . 0 0 "[ . 1 . 2]" 3
19 1 61 VAL H 1 64 ARG O 2.200 . 2.700 1.825 1.722 2.153 0.008 1 0 "[ . 1 . 2]" 3
20 1 62 ASN H 1 86 THR O 2.200 . 2.700 2.045 1.750 2.534 . 0 0 "[ . 1 . 2]" 3
21 1 59 THR O 1 66 ILE H 2.200 . 2.700 2.288 1.815 2.755 0.055 20 0 "[ . 1 . 2]" 3
22 1 70 THR O 1 74 VAL H 2.200 . 2.700 1.877 1.735 2.260 . 0 0 "[ . 1 . 2]" 3
23 1 71 LYS O 1 75 ALA H 2.200 . 2.700 2.092 1.799 2.400 . 0 0 "[ . 1 . 2]" 3
24 1 72 VAL O 1 76 LYS H 2.200 . 2.700 2.472 2.219 2.676 . 0 0 "[ . 1 . 2]" 3
25 1 73 GLU O 1 77 MET H 2.200 . 2.700 1.831 1.712 2.054 0.018 17 0 "[ . 1 . 2]" 3
26 1 75 ALA O 1 79 GLN H 2.200 . 2.700 2.003 1.823 2.134 . 0 0 "[ . 1 . 2]" 3
27 1 74 VAL O 1 78 ILE H 2.200 . 2.700 2.037 1.764 2.437 . 0 0 "[ . 1 . 2]" 3
28 1 76 LYS O 1 80 GLU H 2.200 . 2.700 1.740 1.683 2.124 0.047 19 0 "[ . 1 . 2]" 3
29 1 13 LEU O 1 85 VAL H 2.200 . 2.700 2.128 1.923 2.439 . 0 0 "[ . 1 . 2]" 3
30 1 11 VAL O 1 87 ILE H 2.200 . 2.700 2.176 1.987 2.571 . 0 0 "[ . 1 . 2]" 3
31 1 60 GLY O 1 88 HIS H 2.200 . 2.700 2.172 1.787 2.624 . 0 0 "[ . 1 . 2]" 3
32 1 9 GLY O 1 89 TYR H 2.200 . 2.700 1.888 1.730 2.748 0.048 4 0 "[ . 1 . 2]" 3
33 1 57 GLU O 1 90 ASN H 2.200 . 2.700 2.195 1.748 2.859 0.159 10 0 "[ . 1 . 2]" 3
34 1 23 ILE H 1 116 VAL O 2.000 . 2.200 2.202 1.788 2.328 0.128 10 0 "[ . 1 . 2]" 3
35 1 25 ILE H 1 114 LEU O 2.200 . 2.700 2.268 1.838 2.852 0.152 8 0 "[ . 1 . 2]" 3
36 1 25 ILE O 1 114 LEU H 2.200 . 2.500 2.158 1.716 2.667 0.167 10 0 "[ . 1 . 2]" 3
37 1 23 ILE O 1 116 VAL H 2.000 . 2.200 2.130 1.899 2.261 0.061 18 0 "[ . 1 . 2]" 3
38 1 21 ILE H 1 116 VAL O 2.200 . 2.400 2.340 1.858 2.629 0.229 15 0 "[ . 1 . 2]" 3
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 9:01:46 PM GMT (wattos1)