NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392780 |
1q48   |
5842 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q48
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 710
_Distance_constraint_stats_list.Viol_count 300
_Distance_constraint_stats_list.Viol_total 82.014
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0027
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0137
_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 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.028 0.013 15 0 "[ . 1 . 2]"
1 21 ASP 0.025 0.025 20 0 "[ . 1 . 2]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 0.089 0.027 12 0 "[ . 1 . 2]"
1 24 ASP 0.148 0.027 12 0 "[ . 1 . 2]"
1 25 SER 0.103 0.029 15 0 "[ . 1 . 2]"
1 26 ASN 0.098 0.019 17 0 "[ . 1 . 2]"
1 27 VAL 0.078 0.029 15 0 "[ . 1 . 2]"
1 28 GLY 0.023 0.012 1 0 "[ . 1 . 2]"
1 29 THR 0.020 0.011 3 0 "[ . 1 . 2]"
1 30 GLY 0.003 0.003 3 0 "[ . 1 . 2]"
1 31 MET 0.054 0.021 2 0 "[ . 1 . 2]"
1 32 VAL 0.029 0.021 2 0 "[ . 1 . 2]"
1 33 GLY 0.018 0.010 5 0 "[ . 1 . 2]"
1 34 ALA 0.103 0.018 4 0 "[ . 1 . 2]"
1 35 PRO 0.013 0.013 7 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 CYS 0.094 0.029 7 0 "[ . 1 . 2]"
1 38 GLY 0.023 0.015 10 0 "[ . 1 . 2]"
1 39 ASP 0.135 0.029 7 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 MET 0.018 0.010 5 0 "[ . 1 . 2]"
1 42 GLN 0.009 0.004 12 0 "[ . 1 . 2]"
1 43 LEU 0.052 0.021 7 0 "[ . 1 . 2]"
1 44 GLN 0.006 0.006 11 0 "[ . 1 . 2]"
1 45 ILE 0.154 0.034 10 0 "[ . 1 . 2]"
1 46 LYS 0.056 0.034 10 0 "[ . 1 . 2]"
1 47 VAL 0.016 0.006 16 0 "[ . 1 . 2]"
1 48 ASP 0.787 0.068 8 0 "[ . 1 . 2]"
1 49 ASP 0.376 0.049 15 0 "[ . 1 . 2]"
1 50 ASN 0.742 0.068 8 0 "[ . 1 . 2]"
1 51 GLY 0.109 0.024 8 0 "[ . 1 . 2]"
1 52 ILE 0.077 0.019 1 0 "[ . 1 . 2]"
1 53 ILE 0.046 0.019 15 0 "[ . 1 . 2]"
1 54 GLU 0.039 0.012 20 0 "[ . 1 . 2]"
1 55 ASP 0.075 0.034 10 0 "[ . 1 . 2]"
1 56 ALA 0.035 0.021 12 0 "[ . 1 . 2]"
1 57 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.052 0.021 7 0 "[ . 1 . 2]"
1 60 THR 0.113 0.035 9 0 "[ . 1 . 2]"
1 61 TYR 0.017 0.014 15 0 "[ . 1 . 2]"
1 62 GLY 0.006 0.004 16 0 "[ . 1 . 2]"
1 63 CYS 0.020 0.014 15 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.015 0.012 5 0 "[ . 1 . 2]"
1 67 ILE 0.021 0.018 11 0 "[ . 1 . 2]"
1 69 SER 0.029 0.027 11 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 0.048 0.019 3 0 "[ . 1 . 2]"
1 73 ILE 0.094 0.035 9 0 "[ . 1 . 2]"
1 74 THR 0.028 0.010 16 0 "[ . 1 . 2]"
1 75 GLU 0.014 0.006 2 0 "[ . 1 . 2]"
1 76 TRP 0.009 0.009 17 0 "[ . 1 . 2]"
1 77 VAL 0.103 0.025 17 0 "[ . 1 . 2]"
1 78 LYS 0.072 0.025 17 0 "[ . 1 . 2]"
1 79 GLY 0.002 0.002 16 0 "[ . 1 . 2]"
1 80 LYS 0.043 0.018 6 0 "[ . 1 . 2]"
1 81 SER 0.008 0.004 14 0 "[ . 1 . 2]"
1 82 LEU 0.030 0.019 3 0 "[ . 1 . 2]"
1 83 GLU 0.041 0.019 3 0 "[ . 1 . 2]"
1 84 GLU 0.018 0.014 10 0 "[ . 1 . 2]"
1 85 ALA 0.200 0.031 18 0 "[ . 1 . 2]"
1 86 GLY 0.077 0.022 14 0 "[ . 1 . 2]"
1 87 ALA 0.726 0.101 3 0 "[ . 1 . 2]"
1 88 ILE 0.746 0.101 3 0 "[ . 1 . 2]"
1 89 LYS 0.100 0.024 3 0 "[ . 1 . 2]"
1 90 ASN 0.011 0.008 17 0 "[ . 1 . 2]"
1 91 SER 0.104 0.032 12 0 "[ . 1 . 2]"
1 92 GLN 0.057 0.018 13 0 "[ . 1 . 2]"
1 93 ILE 0.009 0.009 17 0 "[ . 1 . 2]"
1 94 ALA 0.043 0.018 13 0 "[ . 1 . 2]"
1 95 GLU 0.028 0.010 11 0 "[ . 1 . 2]"
1 96 GLU 0.034 0.019 3 0 "[ . 1 . 2]"
1 97 LEU 0.012 0.006 2 0 "[ . 1 . 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LEU 0.039 0.010 11 0 "[ . 1 . 2]"
1 101 PRO 0.140 0.045 13 0 "[ . 1 . 2]"
1 102 VAL 0.041 0.020 13 0 "[ . 1 . 2]"
1 103 LYS 0.004 0.004 13 0 "[ . 1 . 2]"
1 104 VAL 0.103 0.045 13 0 "[ . 1 . 2]"
1 105 HIS 0.027 0.012 4 0 "[ . 1 . 2]"
1 106 CYS 0.017 0.017 19 0 "[ . 1 . 2]"
1 107 SER 0.077 0.019 8 0 "[ . 1 . 2]"
1 108 ILE 0.093 0.019 8 0 "[ . 1 . 2]"
1 109 LEU 0.012 0.012 5 0 "[ . 1 . 2]"
1 110 ALA 0.028 0.027 11 0 "[ . 1 . 2]"
1 111 GLU 0.269 0.047 11 0 "[ . 1 . 2]"
1 112 ASP 0.006 0.006 13 0 "[ . 1 . 2]"
1 113 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ILE 0.325 0.047 11 0 "[ . 1 . 2]"
1 115 LYS 0.026 0.013 10 0 "[ . 1 . 2]"
1 116 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ALA 0.184 0.034 10 0 "[ . 1 . 2]"
1 118 ILE 0.026 0.016 17 0 "[ . 1 . 2]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ASP 0.014 0.011 3 0 "[ . 1 . 2]"
1 121 TYR 0.045 0.012 1 0 "[ . 1 . 2]"
1 122 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 LYS 0.013 0.006 16 0 "[ . 1 . 2]"
1 125 GLN 0.026 0.026 7 0 "[ . 1 . 2]"
1 126 GLY 0.050 0.026 7 0 "[ . 1 . 2]"
1 127 LEU 0.005 0.005 8 0 "[ . 1 . 2]"
1 128 GLU 0.019 0.016 16 0 "[ . 1 . 2]"
1 129 HIS 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 22 LYS H 1 23 LYS H 1.800 . 3.500 2.834 2.605 3.322 . 0 0 "[ . 1 . 2]" 1
2 1 23 LYS H 1 24 ASP H 1.800 . 3.500 2.652 1.777 3.154 0.023 15 0 "[ . 1 . 2]" 1
3 1 25 SER H 1 26 ASN H 1.800 . 2.800 2.550 2.243 2.818 0.018 15 0 "[ . 1 . 2]" 1
4 1 26 ASN H 1 27 VAL H 1.800 . 2.800 2.179 1.791 2.757 0.009 17 0 "[ . 1 . 2]" 1
5 1 36 ALA H 1 37 CYS H 1.800 . 3.500 2.749 1.891 3.496 . 0 0 "[ . 1 . 2]" 1
6 1 37 CYS H 1 38 GLY H 1.800 . 2.800 2.117 1.785 2.755 0.015 10 0 "[ . 1 . 2]" 1
7 1 38 GLY H 1 39 ASP H 1.800 . 3.500 2.563 1.933 3.207 . 0 0 "[ . 1 . 2]" 1
8 1 48 ASP H 1 49 ASP H 1.800 . 3.500 2.714 1.779 3.549 0.049 15 0 "[ . 1 . 2]" 1
9 1 49 ASP H 1 50 ASN H 1.800 . 3.500 2.398 1.763 3.515 0.037 15 0 "[ . 1 . 2]" 1
10 1 50 ASN H 1 51 GLY H 1.800 . 2.800 2.302 1.785 2.714 0.015 9 0 "[ . 1 . 2]" 1
11 1 51 GLY H 1 52 ILE H 1.800 . 3.500 2.307 1.867 2.676 . 0 0 "[ . 1 . 2]" 1
12 1 54 GLU H 1 55 ASP H 1.800 . 3.500 2.651 2.238 3.108 . 0 0 "[ . 1 . 2]" 1
13 1 74 THR H 1 75 GLU H 1.800 . 3.500 2.791 2.591 2.993 . 0 0 "[ . 1 . 2]" 1
14 1 75 GLU H 1 76 TRP H 1.800 . 3.500 2.458 2.228 2.739 . 0 0 "[ . 1 . 2]" 1
15 1 76 TRP H 1 77 VAL H 1.800 . 3.500 2.285 2.092 2.803 . 0 0 "[ . 1 . 2]" 1
16 1 77 VAL H 1 78 LYS H 1.800 . 3.500 2.819 1.860 3.519 0.019 15 0 "[ . 1 . 2]" 1
17 1 79 GLY H 1 80 LYS H 1.800 . 3.500 2.425 2.075 2.712 . 0 0 "[ . 1 . 2]" 1
18 1 82 LEU H 1 83 GLU H 1.800 . 3.500 2.683 2.440 2.812 . 0 0 "[ . 1 . 2]" 1
19 1 83 GLU H 1 84 GLU H 1.800 . 2.800 2.606 2.365 2.814 0.014 10 0 "[ . 1 . 2]" 1
20 1 84 GLU H 1 85 ALA H 1.800 . 3.500 2.438 2.205 2.747 . 0 0 "[ . 1 . 2]" 1
21 1 85 ALA H 1 86 GLY H 1.800 . 3.500 2.531 2.104 2.854 . 0 0 "[ . 1 . 2]" 1
22 1 86 GLY H 1 87 ALA H 1.800 . 3.500 3.094 2.567 3.445 . 0 0 "[ . 1 . 2]" 1
23 1 87 ALA H 1 88 ILE H 1.800 . 2.800 1.816 1.772 1.942 0.028 3 0 "[ . 1 . 2]" 1
24 1 91 SER H 1 92 GLN H 1.800 . 3.500 2.725 2.455 3.085 . 0 0 "[ . 1 . 2]" 1
25 1 92 GLN H 1 93 ILE H 1.800 . 3.500 2.877 2.651 3.216 . 0 0 "[ . 1 . 2]" 1
26 1 93 ILE H 1 94 ALA H 1.800 . 3.500 2.786 2.428 3.037 . 0 0 "[ . 1 . 2]" 1
27 1 94 ALA H 1 95 GLU H 1.800 . 3.500 2.684 2.493 2.862 . 0 0 "[ . 1 . 2]" 1
28 1 95 GLU H 1 96 GLU H 1.800 . 3.500 2.571 2.229 2.979 . 0 0 "[ . 1 . 2]" 1
29 1 96 GLU H 1 97 LEU H 1.800 . 3.500 2.694 2.458 3.098 . 0 0 "[ . 1 . 2]" 1
30 1 97 LEU H 1 98 GLU H 1.800 . 3.500 2.373 1.969 2.635 . 0 0 "[ . 1 . 2]" 1
31 1 98 GLU H 1 99 LEU H 1.800 . 3.500 2.927 2.398 3.370 . 0 0 "[ . 1 . 2]" 1
32 1 103 LYS H 1 104 VAL H 1.800 . 2.800 2.229 1.796 2.792 0.004 13 0 "[ . 1 . 2]" 1
33 1 106 CYS H 1 107 SER H 1.800 . 3.500 2.828 2.579 3.140 . 0 0 "[ . 1 . 2]" 1
34 1 107 SER H 1 108 ILE H 1.800 . 3.500 2.903 2.637 3.184 . 0 0 "[ . 1 . 2]" 1
35 1 108 ILE H 1 109 LEU H 1.800 . 3.500 2.857 2.568 3.228 . 0 0 "[ . 1 . 2]" 1
36 1 109 LEU H 1 110 ALA H 1.800 . 3.500 2.720 2.487 2.972 . 0 0 "[ . 1 . 2]" 1
37 1 110 ALA H 1 111 GLU H 1.800 . 3.500 2.905 2.635 3.131 . 0 0 "[ . 1 . 2]" 1
38 1 111 GLU H 1 112 ASP H 1.800 . 3.500 2.881 2.519 3.243 . 0 0 "[ . 1 . 2]" 1
39 1 113 ALA H 1 114 ILE H 1.800 . 3.500 2.805 2.512 3.041 . 0 0 "[ . 1 . 2]" 1
40 1 115 LYS H 1 116 ALA H 1.800 . 3.500 2.721 2.447 3.039 . 0 0 "[ . 1 . 2]" 1
41 1 116 ALA H 1 117 ALA H 1.800 . 3.500 2.825 2.557 3.080 . 0 0 "[ . 1 . 2]" 1
42 1 117 ALA H 1 118 ILE H 1.800 . 3.500 2.827 2.589 3.095 . 0 0 "[ . 1 . 2]" 1
43 1 118 ILE H 1 119 ALA H 1.800 . 3.500 2.836 2.496 3.076 . 0 0 "[ . 1 . 2]" 1
44 1 121 TYR H 1 122 LYS H 1.800 . 3.500 2.748 2.111 3.080 . 0 0 "[ . 1 . 2]" 1
45 1 122 LYS H 1 123 ALA H 1.800 . 3.500 2.561 2.197 2.897 . 0 0 "[ . 1 . 2]" 1
46 1 123 ALA H 1 124 LYS H 1.800 . 3.500 2.643 2.117 3.029 . 0 0 "[ . 1 . 2]" 1
47 1 124 LYS H 1 125 GLN H 1.800 . 3.500 2.726 2.012 3.311 . 0 0 "[ . 1 . 2]" 1
48 1 125 GLN H 1 126 GLY H 1.800 . 3.500 2.602 1.774 3.453 0.026 7 0 "[ . 1 . 2]" 1
49 1 126 GLY H 1 127 LEU H 1.800 . 3.500 2.377 1.795 3.500 0.005 8 0 "[ . 1 . 2]" 1
50 1 127 LEU H 1 128 GLU H 1.800 . 3.500 2.552 1.832 3.166 . 0 0 "[ . 1 . 2]" 1
51 1 22 LYS H 1 24 ASP H 1.800 . 5.000 4.479 3.604 4.950 . 0 0 "[ . 1 . 2]" 1
52 1 24 ASP H 1 26 ASN H 1.800 . 5.000 4.605 3.938 4.997 . 0 0 "[ . 1 . 2]" 1
53 1 37 CYS H 1 39 ASP H 1.800 . 4.000 3.654 2.690 4.006 0.006 15 0 "[ . 1 . 2]" 1
54 1 48 ASP H 1 50 ASN H 1.800 . 5.000 4.099 3.693 4.963 . 0 0 "[ . 1 . 2]" 1
55 1 49 ASP H 1 51 GLY H 1.800 . 5.000 3.544 2.374 4.480 . 0 0 "[ . 1 . 2]" 1
56 1 50 ASN H 1 52 ILE H 1.800 . 4.000 3.198 2.688 3.653 . 0 0 "[ . 1 . 2]" 1
57 1 61 TYR H 1 63 CYS H 1.800 . 5.000 4.674 3.712 5.014 0.014 15 0 "[ . 1 . 2]" 1
58 1 67 ILE H 1 69 SER H 1.800 . 5.000 4.681 4.071 5.002 0.002 14 0 "[ . 1 . 2]" 1
59 1 75 GLU H 1 77 VAL H 1.800 . 5.000 4.074 3.767 4.318 . 0 0 "[ . 1 . 2]" 1
60 1 81 SER H 1 83 GLU H 1.800 . 5.000 4.552 3.930 5.001 0.001 5 0 "[ . 1 . 2]" 1
61 1 83 GLU H 1 85 ALA H 1.800 . 5.000 4.150 3.695 4.517 . 0 0 "[ . 1 . 2]" 1
62 1 85 ALA H 1 87 ALA H 1.800 . 5.000 4.695 4.315 5.001 0.001 17 0 "[ . 1 . 2]" 1
63 1 86 GLY H 1 88 ILE H 1.800 . 5.000 4.366 3.958 4.692 . 0 0 "[ . 1 . 2]" 1
64 1 91 SER H 1 93 ILE H 1.800 . 5.000 4.645 3.866 4.993 . 0 0 "[ . 1 . 2]" 1
65 1 92 GLN H 1 94 ALA H 1.800 . 4.000 3.946 3.748 4.018 0.018 13 0 "[ . 1 . 2]" 1
66 1 93 ILE H 1 95 GLU H 1.800 . 5.000 4.308 3.856 4.751 . 0 0 "[ . 1 . 2]" 1
67 1 97 LEU H 1 99 LEU H 1.800 . 5.000 4.446 3.899 5.006 0.006 2 0 "[ . 1 . 2]" 1
68 1 106 CYS H 1 108 ILE H 1.800 . 5.000 4.216 3.676 4.878 . 0 0 "[ . 1 . 2]" 1
69 1 117 ALA H 1 119 ALA H 1.800 . 5.000 4.204 3.724 4.906 . 0 0 "[ . 1 . 2]" 1
70 1 118 ILE H 1 120 ASP H 1.800 . 5.000 4.508 3.984 4.981 . 0 0 "[ . 1 . 2]" 1
71 1 120 ASP H 1 122 LYS H 1.800 . 5.000 4.328 3.810 4.943 . 0 0 "[ . 1 . 2]" 1
72 1 123 ALA H 1 125 GLN H 1.800 . 5.000 4.394 3.539 4.961 . 0 0 "[ . 1 . 2]" 1
73 1 126 GLY H 1 128 GLU H 1.800 . 4.000 3.480 2.350 4.016 0.016 16 0 "[ . 1 . 2]" 1
74 1 17 VAL HA 1 18 GLY H 1.800 . 4.000 2.627 2.187 3.583 . 0 0 "[ . 1 . 2]" 1
75 1 18 GLY QA 1 19 SER H 1.800 . 3.000 2.428 2.174 2.921 . 0 0 "[ . 1 . 2]" 1
76 1 19 SER HA 1 20 LEU H 1.800 . 4.000 2.563 2.196 3.199 . 0 0 "[ . 1 . 2]" 1
77 1 20 LEU HA 1 21 ASP H 1.800 . 4.000 2.887 2.211 3.576 . 0 0 "[ . 1 . 2]" 1
78 1 21 ASP HA 1 22 LYS H 1.800 . 4.000 2.741 2.208 3.555 . 0 0 "[ . 1 . 2]" 1
79 1 22 LYS HA 1 23 LYS H 1.800 . 4.000 3.286 3.053 3.567 . 0 0 "[ . 1 . 2]" 1
80 1 23 LYS HA 1 24 ASP H 1.800 . 4.000 3.065 2.571 3.508 . 0 0 "[ . 1 . 2]" 1
81 1 24 ASP HA 1 25 SER H 1.800 . 3.000 2.458 2.193 3.025 0.025 17 0 "[ . 1 . 2]" 1
82 1 25 SER HA 1 26 ASN H 1.800 . 4.000 3.258 3.164 3.400 . 0 0 "[ . 1 . 2]" 1
83 1 26 ASN HA 1 27 VAL H 1.800 . 4.000 3.188 2.883 3.503 . 0 0 "[ . 1 . 2]" 1
84 1 27 VAL HA 1 28 GLY H 1.800 . 4.000 2.239 2.189 2.298 . 0 0 "[ . 1 . 2]" 1
85 1 28 GLY QA 1 29 THR H 1.800 . 4.000 2.201 2.161 2.269 . 0 0 "[ . 1 . 2]" 1
86 1 29 THR HA 1 30 GLY H 1.800 . 4.000 2.240 2.181 2.393 . 0 0 "[ . 1 . 2]" 1
87 1 30 GLY QA 1 31 MET H 1.800 . 4.000 2.210 2.159 2.315 . 0 0 "[ . 1 . 2]" 1
88 1 31 MET HA 1 32 VAL H 1.800 . 3.000 2.213 2.186 2.286 . 0 0 "[ . 1 . 2]" 1
89 1 32 VAL HA 1 33 GLY H 1.800 . 3.000 2.513 2.276 2.733 . 0 0 "[ . 1 . 2]" 1
90 1 33 GLY QA 1 34 ALA H 1.800 . 4.000 2.285 2.156 2.327 . 0 0 "[ . 1 . 2]" 1
91 1 35 PRO HA 1 36 ALA H 1.800 . 5.000 3.393 2.893 3.589 . 0 0 "[ . 1 . 2]" 1
92 1 37 CYS HA 1 38 GLY H 1.800 . 5.000 3.410 2.988 3.588 . 0 0 "[ . 1 . 2]" 1
93 1 38 GLY QA 1 39 ASP H 1.800 . 5.000 2.665 2.440 2.925 . 0 0 "[ . 1 . 2]" 1
94 1 40 VAL HA 1 41 MET H 1.800 . 4.000 2.232 2.192 2.325 . 0 0 "[ . 1 . 2]" 1
95 1 41 MET HA 1 42 GLN H 1.800 . 4.000 2.222 2.184 2.316 . 0 0 "[ . 1 . 2]" 1
96 1 42 GLN HA 1 43 LEU H 1.800 . 4.000 2.246 2.187 2.430 . 0 0 "[ . 1 . 2]" 1
97 1 43 LEU HA 1 44 GLN H 1.800 . 4.000 2.229 2.182 2.376 . 0 0 "[ . 1 . 2]" 1
98 1 44 GLN HA 1 45 ILE H 1.800 . 4.000 2.287 2.189 2.579 . 0 0 "[ . 1 . 2]" 1
99 1 45 ILE HA 1 46 LYS H 1.800 . 4.000 2.275 2.194 2.416 . 0 0 "[ . 1 . 2]" 1
100 1 46 LYS HA 1 47 VAL H 1.800 . 4.000 2.237 2.191 2.330 . 0 0 "[ . 1 . 2]" 1
101 1 47 VAL HA 1 48 ASP H 1.800 . 4.000 2.266 2.190 2.364 . 0 0 "[ . 1 . 2]" 1
102 1 48 ASP HA 1 49 ASP H 1.800 . 4.000 3.510 3.377 3.584 . 0 0 "[ . 1 . 2]" 1
103 1 49 ASP HA 1 50 ASN H 1.800 . 4.000 3.101 2.687 3.499 . 0 0 "[ . 1 . 2]" 1
104 1 50 ASN HA 1 51 GLY H 1.800 . 4.000 3.080 2.656 3.510 . 0 0 "[ . 1 . 2]" 1
105 1 51 GLY QA 1 52 ILE H 1.800 . 4.000 2.912 2.822 2.940 . 0 0 "[ . 1 . 2]" 1
106 1 52 ILE HA 1 53 ILE H 1.800 . 4.000 2.290 2.194 2.434 . 0 0 "[ . 1 . 2]" 1
107 1 53 ILE HA 1 54 GLU H 1.800 . 4.000 2.265 2.188 2.423 . 0 0 "[ . 1 . 2]" 1
108 1 54 GLU HA 1 55 ASP H 1.800 . 4.000 3.543 3.373 3.586 . 0 0 "[ . 1 . 2]" 1
109 1 55 ASP HA 1 56 ALA H 1.800 . 3.000 2.440 2.206 2.663 . 0 0 "[ . 1 . 2]" 1
110 1 56 ALA HA 1 57 LYS H 1.800 . 4.000 2.233 2.185 2.606 . 0 0 "[ . 1 . 2]" 1
111 1 57 LYS HA 1 58 PHE H 1.800 . 4.000 2.342 2.192 2.639 . 0 0 "[ . 1 . 2]" 1
112 1 58 PHE HA 1 59 LYS H 1.800 . 4.000 2.538 2.399 2.667 . 0 0 "[ . 1 . 2]" 1
113 1 60 THR HA 1 61 TYR H 1.800 . 4.000 2.245 2.193 2.302 . 0 0 "[ . 1 . 2]" 1
114 1 62 GLY QA 1 63 CYS H 1.800 . 5.000 2.589 2.296 2.743 . 0 0 "[ . 1 . 2]" 1
115 1 72 LEU HA 1 73 ILE H 1.800 . 5.000 3.577 3.538 3.589 . 0 0 "[ . 1 . 2]" 1
116 1 74 THR HA 1 75 GLU H 1.800 . 5.000 3.547 3.451 3.586 . 0 0 "[ . 1 . 2]" 1
117 1 75 GLU HA 1 76 TRP H 1.800 . 5.000 3.399 3.258 3.589 . 0 0 "[ . 1 . 2]" 1
118 1 76 TRP HA 1 77 VAL H 1.800 . 5.000 3.445 3.291 3.542 . 0 0 "[ . 1 . 2]" 1
119 1 77 VAL HA 1 78 LYS H 1.800 . 5.000 2.934 2.542 3.524 . 0 0 "[ . 1 . 2]" 1
120 1 78 LYS HA 1 79 GLY H 1.800 . 4.000 2.249 2.189 2.378 . 0 0 "[ . 1 . 2]" 1
121 1 79 GLY QA 1 80 LYS H 1.800 . 4.000 2.914 2.839 2.938 . 0 0 "[ . 1 . 2]" 1
122 1 80 LYS HA 1 81 SER H 1.800 . 4.000 2.721 2.449 2.864 . 0 0 "[ . 1 . 2]" 1
123 1 81 SER HA 1 82 LEU H 1.800 . 5.000 2.406 2.238 2.630 . 0 0 "[ . 1 . 2]" 1
124 1 84 GLU HA 1 85 ALA H 1.800 . 5.000 3.552 3.449 3.593 . 0 0 "[ . 1 . 2]" 1
125 1 86 GLY QA 1 87 ALA H 1.800 . 4.000 2.717 2.610 2.852 . 0 0 "[ . 1 . 2]" 1
126 1 87 ALA HA 1 88 ILE H 1.800 . 4.000 3.462 3.008 3.555 . 0 0 "[ . 1 . 2]" 1
127 1 88 ILE HA 1 89 LYS H 1.800 . 4.000 2.800 2.194 3.566 . 0 0 "[ . 1 . 2]" 1
128 1 89 LYS HA 1 90 ASN H 1.800 . 4.000 2.476 2.193 2.755 . 0 0 "[ . 1 . 2]" 1
129 1 91 SER HA 1 92 GLN H 1.800 . 5.000 3.541 3.467 3.585 . 0 0 "[ . 1 . 2]" 1
130 1 93 ILE HA 1 94 ALA H 1.800 . 5.000 3.542 3.493 3.576 . 0 0 "[ . 1 . 2]" 1
131 1 95 GLU HA 1 96 GLU H 1.800 . 5.000 3.506 3.380 3.584 . 0 0 "[ . 1 . 2]" 1
132 1 96 GLU HA 1 97 LEU H 1.800 . 5.000 3.558 3.478 3.592 . 0 0 "[ . 1 . 2]" 1
133 1 97 LEU HA 1 98 GLU H 1.800 . 5.000 3.440 3.304 3.552 . 0 0 "[ . 1 . 2]" 1
134 1 98 GLU HA 1 99 LEU H 1.800 . 5.000 2.766 2.417 3.316 . 0 0 "[ . 1 . 2]" 1
135 1 101 PRO HA 1 102 VAL H 1.800 . 5.000 3.281 3.125 3.547 . 0 0 "[ . 1 . 2]" 1
136 1 102 VAL HA 1 103 LYS H 1.800 . 5.000 3.285 2.852 3.558 . 0 0 "[ . 1 . 2]" 1
137 1 105 HIS HA 1 106 CYS H 1.800 . 5.000 3.500 3.408 3.586 . 0 0 "[ . 1 . 2]" 1
138 1 110 ALA HA 1 111 GLU H 1.800 . 5.000 3.583 3.567 3.590 . 0 0 "[ . 1 . 2]" 1
139 1 111 GLU HA 1 112 ASP H 1.800 . 5.000 3.572 3.516 3.592 . 0 0 "[ . 1 . 2]" 1
140 1 112 ASP HA 1 113 ALA H 1.800 . 5.000 3.514 3.442 3.559 . 0 0 "[ . 1 . 2]" 1
141 1 113 ALA HA 1 114 ILE H 1.800 . 5.000 3.584 3.543 3.593 . 0 0 "[ . 1 . 2]" 1
142 1 115 LYS HA 1 116 ALA H 1.800 . 5.000 3.564 3.502 3.592 . 0 0 "[ . 1 . 2]" 1
143 1 116 ALA HA 1 117 ALA H 1.800 . 5.000 3.562 3.517 3.590 . 0 0 "[ . 1 . 2]" 1
144 1 117 ALA HA 1 118 ILE H 1.800 . 5.000 3.570 3.522 3.591 . 0 0 "[ . 1 . 2]" 1
145 1 118 ILE HA 1 119 ALA H 1.800 . 5.000 3.554 3.471 3.590 . 0 0 "[ . 1 . 2]" 1
146 1 119 ALA HA 1 120 ASP H 1.800 . 5.000 3.579 3.545 3.589 . 0 0 "[ . 1 . 2]" 1
147 1 120 ASP HA 1 121 TYR H 1.800 . 5.000 3.527 3.298 3.590 . 0 0 "[ . 1 . 2]" 1
148 1 121 TYR HA 1 122 LYS H 1.800 . 5.000 3.547 3.430 3.590 . 0 0 "[ . 1 . 2]" 1
149 1 122 LYS HA 1 123 ALA H 1.800 . 5.000 3.515 3.258 3.587 . 0 0 "[ . 1 . 2]" 1
150 1 123 ALA HA 1 124 LYS H 1.800 . 4.000 3.455 3.249 3.576 . 0 0 "[ . 1 . 2]" 1
151 1 124 LYS HA 1 125 GLN H 1.800 . 5.000 3.247 2.770 3.588 . 0 0 "[ . 1 . 2]" 1
152 1 125 GLN HA 1 126 GLY H 1.800 . 4.000 3.169 2.510 3.580 . 0 0 "[ . 1 . 2]" 1
153 1 126 GLY QA 1 127 LEU H 1.800 . 4.000 2.687 2.199 2.934 . 0 0 "[ . 1 . 2]" 1
154 1 127 LEU HA 1 128 GLU H 1.800 . 4.000 3.330 2.637 3.583 . 0 0 "[ . 1 . 2]" 1
155 1 128 GLU HA 1 129 HIS H 1.800 . 5.000 2.869 2.305 3.591 . 0 0 "[ . 1 . 2]" 1
156 1 50 ASN H 1 51 GLY QA 1.800 . 5.000 4.279 3.907 4.604 . 0 0 "[ . 1 . 2]" 1
157 1 97 LEU H 1 98 GLU HA 1.800 . 5.000 4.681 4.296 4.969 . 0 0 "[ . 1 . 2]" 1
158 1 103 LYS H 1 104 VAL HA 1.800 . 5.000 4.188 3.904 4.753 . 0 0 "[ . 1 . 2]" 1
159 1 34 ALA HA 1 35 PRO QD 1.800 . 3.500 2.058 1.989 2.167 . 0 0 "[ . 1 . 2]" 1
160 1 34 ALA H 1 35 PRO QD 1.800 . 5.000 3.490 2.969 4.351 . 0 0 "[ . 1 . 2]" 1
161 1 35 PRO QD 1 36 ALA H 1.800 . 5.000 3.068 2.457 3.684 . 0 0 "[ . 1 . 2]" 1
162 1 21 ASP HA 1 23 LYS H 1.800 . 4.000 3.771 3.150 4.025 0.025 20 0 "[ . 1 . 2]" 1
163 1 22 LYS HA 1 24 ASP H 1.800 . 5.000 3.704 2.994 4.831 . 0 0 "[ . 1 . 2]" 1
164 1 24 ASP HA 1 26 ASN H 1.800 . 4.000 3.658 2.848 4.008 0.008 14 0 "[ . 1 . 2]" 1
165 1 25 SER HA 1 27 VAL H 1.800 . 5.000 3.885 3.394 4.946 . 0 0 "[ . 1 . 2]" 1
166 1 34 ALA HA 1 36 ALA H 1.800 . 5.000 3.609 3.184 4.305 . 0 0 "[ . 1 . 2]" 1
167 1 48 ASP HA 1 50 ASN H 1.800 . 5.000 4.439 3.301 5.058 0.058 2 0 "[ . 1 . 2]" 1
168 1 49 ASP HA 1 51 GLY H 1.800 . 5.000 4.315 3.623 5.024 0.024 8 0 "[ . 1 . 2]" 1
169 1 50 ASN HA 1 52 ILE H 1.800 . 5.000 4.487 3.952 4.917 . 0 0 "[ . 1 . 2]" 1
170 1 53 ILE HA 1 55 ASP H 1.800 . 4.000 3.752 3.268 4.000 . 0 0 "[ . 1 . 2]" 1
171 1 64 GLY QA 1 66 ALA H 1.800 . 5.000 4.034 3.302 4.873 . 0 0 "[ . 1 . 2]" 1
172 1 70 SER HA 1 72 LEU H 1.800 . 5.000 4.326 3.668 4.666 . 0 0 "[ . 1 . 2]" 1
173 1 74 THR HA 1 76 TRP H 1.800 . 5.000 3.994 3.717 5.000 0.000 14 0 "[ . 1 . 2]" 1
174 1 78 LYS HA 1 80 LYS H 1.800 . 4.000 3.690 3.433 3.979 . 0 0 "[ . 1 . 2]" 1
175 1 81 SER HA 1 83 GLU H 1.800 . 5.000 4.021 3.649 4.450 . 0 0 "[ . 1 . 2]" 1
176 1 84 GLU HA 1 86 GLY H 1.800 . 5.000 4.077 3.652 4.552 . 0 0 "[ . 1 . 2]" 1
177 1 86 GLY QA 1 88 ILE H 1.800 . 5.000 4.240 3.841 4.420 . 0 0 "[ . 1 . 2]" 1
178 1 85 ALA HA 1 87 ALA H 1.800 . 5.000 3.676 3.484 3.958 . 0 0 "[ . 1 . 2]" 1
179 1 89 LYS HA 1 91 SER H 1.800 . 5.000 4.264 3.586 4.883 . 0 0 "[ . 1 . 2]" 1
180 1 108 ILE HA 1 110 ALA H 1.800 . 5.000 4.230 3.856 5.002 0.002 2 0 "[ . 1 . 2]" 1
181 1 121 TYR HA 1 123 ALA H 1.800 . 5.000 4.416 3.924 4.963 . 0 0 "[ . 1 . 2]" 1
182 1 126 GLY QA 1 128 GLU H 1.800 . 4.000 3.635 3.161 4.003 0.003 15 0 "[ . 1 . 2]" 1
183 1 70 SER HA 1 73 ILE H 1.800 . 5.000 4.026 3.794 4.326 . 0 0 "[ . 1 . 2]" 1
184 1 71 SER HA 1 74 THR H 1.800 . 5.000 3.924 3.562 4.243 . 0 0 "[ . 1 . 2]" 1
185 1 72 LEU HA 1 75 GLU H 1.800 . 5.000 3.508 3.316 3.953 . 0 0 "[ . 1 . 2]" 1
186 1 73 ILE HA 1 76 TRP H 1.800 . 4.000 3.230 2.857 3.626 . 0 0 "[ . 1 . 2]" 1
187 1 74 THR HA 1 77 VAL H 1.800 . 5.000 3.639 3.260 4.079 . 0 0 "[ . 1 . 2]" 1
188 1 77 VAL HA 1 80 LYS H 1.800 . 4.000 3.840 3.224 4.018 0.018 6 0 "[ . 1 . 2]" 1
189 1 82 LEU HA 1 85 ALA H 1.800 . 4.000 3.264 3.025 3.603 . 0 0 "[ . 1 . 2]" 1
190 1 83 GLU HA 1 86 GLY H 1.800 . 4.000 3.735 3.384 3.983 . 0 0 "[ . 1 . 2]" 1
191 1 85 ALA HA 1 88 ILE H 1.800 . 4.000 3.760 3.515 3.993 . 0 0 "[ . 1 . 2]" 1
192 1 90 ASN HA 1 93 ILE H 1.800 . 5.000 3.585 3.094 4.049 . 0 0 "[ . 1 . 2]" 1
193 1 91 SER HA 1 94 ALA H 1.800 . 5.000 3.621 3.127 4.240 . 0 0 "[ . 1 . 2]" 1
194 1 92 GLN HA 1 95 GLU H 1.800 . 4.000 3.479 3.204 3.879 . 0 0 "[ . 1 . 2]" 1
195 1 93 ILE HA 1 96 GLU H 1.800 . 5.000 3.380 3.016 4.063 . 0 0 "[ . 1 . 2]" 1
196 1 95 GLU HA 1 98 GLU H 1.800 . 5.000 3.334 2.929 3.877 . 0 0 "[ . 1 . 2]" 1
197 1 101 PRO HA 1 104 VAL H 1.800 . 5.000 3.629 2.998 4.363 . 0 0 "[ . 1 . 2]" 1
198 1 104 VAL HA 1 107 SER H 1.800 . 5.000 3.469 3.025 4.071 . 0 0 "[ . 1 . 2]" 1
199 1 105 HIS HA 1 108 ILE H 1.800 . 5.000 3.740 3.370 4.227 . 0 0 "[ . 1 . 2]" 1
200 1 106 CYS HA 1 109 LEU H 1.800 . 5.000 3.612 3.328 3.972 . 0 0 "[ . 1 . 2]" 1
201 1 108 ILE HA 1 111 GLU H 1.800 . 4.000 3.716 3.305 4.019 0.019 4 0 "[ . 1 . 2]" 1
202 1 110 ALA HA 1 113 ALA H 1.800 . 5.000 3.666 3.325 3.848 . 0 0 "[ . 1 . 2]" 1
203 1 112 ASP HA 1 115 LYS H 1.800 . 4.000 3.642 3.216 4.006 0.006 13 0 "[ . 1 . 2]" 1
204 1 113 ALA HA 1 116 ALA H 1.800 . 4.000 3.469 3.065 3.793 . 0 0 "[ . 1 . 2]" 1
205 1 114 ILE HA 1 117 ALA H 1.800 . 4.000 3.684 3.307 4.004 0.004 11 0 "[ . 1 . 2]" 1
206 1 116 ALA HA 1 119 ALA H 1.800 . 4.000 3.617 3.111 3.992 . 0 0 "[ . 1 . 2]" 1
207 1 117 ALA HA 1 120 ASP H 1.800 . 5.000 3.579 3.172 4.138 . 0 0 "[ . 1 . 2]" 1
208 1 118 ILE HA 1 121 TYR H 1.800 . 5.000 3.607 3.054 4.158 . 0 0 "[ . 1 . 2]" 1
209 1 119 ALA HA 1 122 LYS H 1.800 . 5.000 3.647 3.349 4.082 . 0 0 "[ . 1 . 2]" 1
210 1 120 ASP HA 1 123 ALA H 1.800 . 4.000 3.401 2.744 3.995 . 0 0 "[ . 1 . 2]" 1
211 1 121 TYR HA 1 124 LYS H 1.800 . 4.000 3.807 3.513 4.006 0.006 16 0 "[ . 1 . 2]" 1
212 1 122 LYS HA 1 125 GLN H 1.800 . 5.000 3.958 2.907 4.924 . 0 0 "[ . 1 . 2]" 1
213 1 123 ALA HA 1 126 GLY H 1.800 . 5.000 4.261 2.692 4.973 . 0 0 "[ . 1 . 2]" 1
214 1 35 PRO HA 1 39 ASP H 1.800 . 5.000 4.421 3.696 5.013 0.013 7 0 "[ . 1 . 2]" 1
215 1 82 LEU HA 1 86 GLY H 1.800 . 5.000 3.779 3.290 4.204 . 0 0 "[ . 1 . 2]" 1
216 1 90 ASN HA 1 94 ALA H 1.800 . 5.000 4.026 3.462 4.508 . 0 0 "[ . 1 . 2]" 1
217 1 104 VAL HA 1 108 ILE H 1.800 . 5.000 4.500 4.105 4.991 . 0 0 "[ . 1 . 2]" 1
218 1 107 SER HA 1 111 GLU H 1.800 . 5.000 4.296 3.993 4.571 . 0 0 "[ . 1 . 2]" 1
219 1 115 LYS HA 1 119 ALA H 1.800 . 5.000 4.171 3.790 4.487 . 0 0 "[ . 1 . 2]" 1
220 1 118 ILE HA 1 122 LYS H 1.800 . 5.000 4.105 3.601 4.464 . 0 0 "[ . 1 . 2]" 1
221 1 22 LYS QB 1 23 LYS H 1.800 . 4.000 3.442 2.520 3.947 . 0 0 "[ . 1 . 2]" 1
222 1 23 LYS QB 1 24 ASP H 1.800 . 4.000 3.586 2.846 4.027 0.027 12 0 "[ . 1 . 2]" 1
223 1 24 ASP QB 1 25 SER H 1.800 . 4.000 2.862 1.831 3.718 . 0 0 "[ . 1 . 2]" 1
224 1 25 SER QB 1 26 ASN H 1.800 . 4.000 3.502 3.300 3.802 . 0 0 "[ . 1 . 2]" 1
225 1 26 ASN QB 1 27 VAL H 1.800 . 5.000 3.648 3.180 4.038 . 0 0 "[ . 1 . 2]" 1
226 1 29 THR HB 1 30 GLY H 1.800 . 5.000 4.007 3.408 4.365 . 0 0 "[ . 1 . 2]" 1
227 1 31 MET QB 1 32 VAL H 1.800 . 4.000 3.743 2.911 4.021 0.021 2 0 "[ . 1 . 2]" 1
228 1 32 VAL HB 1 33 GLY H 1.800 . 3.000 2.389 1.883 3.008 0.008 17 0 "[ . 1 . 2]" 1
229 1 35 PRO QB 1 36 ALA H 1.800 . 5.000 3.147 2.056 4.006 . 0 0 "[ . 1 . 2]" 1
230 1 36 ALA MB 1 37 CYS H 1.800 . 4.000 2.627 1.812 3.519 . 0 0 "[ . 1 . 2]" 1
231 1 37 CYS QB 1 38 GLY H 1.800 . 5.000 3.113 2.183 3.760 . 0 0 "[ . 1 . 2]" 1
232 1 41 MET QB 1 42 GLN H 1.800 . 5.000 3.740 3.515 3.990 . 0 0 "[ . 1 . 2]" 1
233 1 42 GLN QB 1 43 LEU H 1.800 . 5.000 3.681 3.229 3.932 . 0 0 "[ . 1 . 2]" 1
234 1 43 LEU QB 1 44 GLN H 1.800 . 5.000 3.711 3.332 3.960 . 0 0 "[ . 1 . 2]" 1
235 1 45 ILE HB 1 46 LYS H 1.800 . 5.000 3.055 2.535 3.520 . 0 0 "[ . 1 . 2]" 1
236 1 47 VAL HB 1 48 ASP H 1.800 . 5.000 3.950 3.534 4.449 . 0 0 "[ . 1 . 2]" 1
237 1 48 ASP HB2 1 49 ASP H 1.800 . 4.000 3.072 1.784 3.810 0.016 10 0 "[ . 1 . 2]" 1
238 1 48 ASP HB3 1 49 ASP H 1.800 . 4.000 2.744 1.786 3.729 0.014 18 0 "[ . 1 . 2]" 1
239 1 49 ASP QB 1 50 ASN H 1.800 . 4.000 3.641 2.798 4.004 0.004 20 0 "[ . 1 . 2]" 1
240 1 50 ASN HB2 1 51 GLY H 1.800 . 5.000 3.887 3.141 4.383 . 0 0 "[ . 1 . 2]" 1
241 1 50 ASN HB3 1 51 GLY H 1.800 . 5.000 4.446 4.115 4.631 . 0 0 "[ . 1 . 2]" 1
242 1 54 GLU QB 1 55 ASP H 1.800 . 4.000 2.737 2.307 3.292 . 0 0 "[ . 1 . 2]" 1
243 1 55 ASP HB2 1 56 ALA H 1.800 . 4.000 3.614 2.501 4.012 0.012 13 0 "[ . 1 . 2]" 1
244 1 55 ASP HB3 1 56 ALA H 1.800 . 4.000 3.199 2.173 3.938 . 0 0 "[ . 1 . 2]" 1
245 1 56 ALA MB 1 57 LYS H 1.800 . 5.000 3.212 2.164 3.533 . 0 0 "[ . 1 . 2]" 1
246 1 57 LYS QB 1 58 PHE H 1.800 . 5.000 3.161 2.063 3.852 . 0 0 "[ . 1 . 2]" 1
247 1 58 PHE HB2 1 59 LYS H 1.800 . 5.000 2.362 2.046 2.719 . 0 0 "[ . 1 . 2]" 1
248 1 58 PHE HB3 1 59 LYS H 1.800 . 5.000 3.739 3.426 4.045 . 0 0 "[ . 1 . 2]" 1
249 1 78 LYS QB 1 79 GLY H 1.800 . 5.000 3.903 3.725 4.038 . 0 0 "[ . 1 . 2]" 1
250 1 80 LYS QB 1 81 SER H 1.800 . 4.000 2.005 1.836 2.429 . 0 0 "[ . 1 . 2]" 1
251 1 81 SER QB 1 82 LEU H 1.800 . 4.000 2.875 2.124 3.568 . 0 0 "[ . 1 . 2]" 1
252 1 82 LEU HB2 1 83 GLU H 1.800 . 4.000 3.147 2.624 3.496 . 0 0 "[ . 1 . 2]" 1
253 1 82 LEU HB3 1 83 GLU H 1.800 . 4.000 3.734 3.333 4.019 0.019 3 0 "[ . 1 . 2]" 1
254 1 83 GLU QB 1 84 GLU H 1.800 . 4.000 2.747 2.220 3.112 . 0 0 "[ . 1 . 2]" 1
255 1 84 GLU QB 1 85 ALA H 1.800 . 4.000 2.583 2.135 3.071 . 0 0 "[ . 1 . 2]" 1
256 1 85 ALA MB 1 86 GLY H 1.800 . 4.000 2.901 2.584 3.346 . 0 0 "[ . 1 . 2]" 1
257 1 87 ALA MB 1 88 ILE H 1.800 . 4.000 2.808 2.535 3.582 . 0 0 "[ . 1 . 2]" 1
258 1 89 LYS QB 1 90 ASN H 1.800 . 5.000 2.502 1.909 3.592 . 0 0 "[ . 1 . 2]" 1
259 1 91 SER QB 1 92 GLN H 1.800 . 4.000 2.873 2.276 3.576 . 0 0 "[ . 1 . 2]" 1
260 1 92 GLN HB2 1 93 ILE H 1.800 . 4.000 3.003 1.969 3.657 . 0 0 "[ . 1 . 2]" 1
261 1 92 GLN HB3 1 93 ILE H 1.800 . 4.000 2.570 1.911 3.868 . 0 0 "[ . 1 . 2]" 1
262 1 94 ALA MB 1 95 GLU H 1.800 . 4.000 2.613 2.220 2.920 . 0 0 "[ . 1 . 2]" 1
263 1 96 GLU QB 1 97 LEU H 1.800 . 4.000 2.495 2.080 2.937 . 0 0 "[ . 1 . 2]" 1
264 1 97 LEU QB 1 98 GLU H 1.800 . 5.000 3.047 2.703 3.352 . 0 0 "[ . 1 . 2]" 1
265 1 101 PRO QB 1 102 VAL H 1.800 . 5.000 3.637 2.134 3.907 . 0 0 "[ . 1 . 2]" 1
266 1 102 VAL HB 1 103 LYS H 1.800 . 5.000 4.037 2.032 4.507 . 0 0 "[ . 1 . 2]" 1
267 1 103 LYS QB 1 104 VAL H 1.800 . 5.000 3.549 2.593 4.078 . 0 0 "[ . 1 . 2]" 1
268 1 106 CYS QB 1 107 SER H 1.800 . 5.000 2.391 1.783 3.225 0.017 19 0 "[ . 1 . 2]" 1
269 1 108 ILE HB 1 109 LEU H 1.800 . 4.000 2.571 2.071 2.970 . 0 0 "[ . 1 . 2]" 1
270 1 109 LEU QB 1 110 ALA H 1.800 . 4.000 2.784 2.313 3.055 . 0 0 "[ . 1 . 2]" 1
271 1 110 ALA MB 1 111 GLU H 1.800 . 3.000 2.245 1.863 2.528 . 0 0 "[ . 1 . 2]" 1
272 1 111 GLU QB 1 112 ASP H 1.800 . 5.000 2.382 2.074 2.831 . 0 0 "[ . 1 . 2]" 1
273 1 112 ASP HB2 1 113 ALA H 1.800 . 4.000 3.597 2.893 3.996 . 0 0 "[ . 1 . 2]" 1
274 1 112 ASP HB3 1 113 ALA H 1.800 . 4.000 2.995 2.562 3.504 . 0 0 "[ . 1 . 2]" 1
275 1 113 ALA MB 1 114 ILE H 1.800 . 5.000 2.255 1.914 2.768 . 0 0 "[ . 1 . 2]" 1
276 1 116 ALA MB 1 117 ALA H 1.800 . 4.000 2.501 2.079 2.828 . 0 0 "[ . 1 . 2]" 1
277 1 117 ALA MB 1 118 ILE H 1.800 . 4.000 2.416 1.947 2.772 . 0 0 "[ . 1 . 2]" 1
278 1 118 ILE HB 1 119 ALA H 1.800 . 4.000 2.636 2.150 3.037 . 0 0 "[ . 1 . 2]" 1
279 1 119 ALA MB 1 120 ASP H 1.800 . 4.000 2.340 1.923 2.737 . 0 0 "[ . 1 . 2]" 1
280 1 120 ASP QB 1 121 TYR H 1.800 . 4.000 2.616 2.034 3.362 . 0 0 "[ . 1 . 2]" 1
281 1 121 TYR HB2 1 122 LYS H 1.800 . 5.000 3.960 3.509 4.313 . 0 0 "[ . 1 . 2]" 1
282 1 121 TYR HB3 1 122 LYS H 1.800 . 5.000 2.646 2.152 3.210 . 0 0 "[ . 1 . 2]" 1
283 1 122 LYS QB 1 123 ALA H 1.800 . 4.000 2.734 2.238 3.440 . 0 0 "[ . 1 . 2]" 1
284 1 123 ALA MB 1 124 LYS H 1.800 . 4.000 2.896 2.360 3.360 . 0 0 "[ . 1 . 2]" 1
285 1 125 GLN QB 1 126 GLY H 1.800 . 5.000 3.248 1.816 4.059 . 0 0 "[ . 1 . 2]" 1
286 1 127 LEU QB 1 128 GLU H 1.800 . 5.000 3.170 2.508 3.981 . 0 0 "[ . 1 . 2]" 1
287 1 23 LYS QG 1 24 ASP H 1.800 . 5.000 4.339 3.431 4.858 . 0 0 "[ . 1 . 2]" 1
288 1 27 VAL QG 1 28 GLY H 1.800 . 5.000 3.043 2.615 3.330 . 0 0 "[ . 1 . 2]" 1
289 1 29 THR MG 1 30 GLY H 1.800 . 5.000 2.465 2.098 3.090 . 0 0 "[ . 1 . 2]" 1
290 1 31 MET QG 1 32 VAL H 1.800 . 5.000 3.091 2.414 4.076 . 0 0 "[ . 1 . 2]" 1
291 1 32 VAL QG 1 33 GLY H 1.800 . 5.000 3.105 2.841 3.411 . 0 0 "[ . 1 . 2]" 1
292 1 35 PRO QG 1 36 ALA H 1.800 . 5.000 3.869 2.094 4.654 . 0 0 "[ . 1 . 2]" 1
293 1 40 VAL QG 1 41 MET H 1.800 . 5.000 2.730 1.955 3.626 . 0 0 "[ . 1 . 2]" 1
294 1 41 MET HG2 1 42 GLN H 1.800 . 5.000 3.129 1.838 3.983 . 0 0 "[ . 1 . 2]" 1
295 1 41 MET HG3 1 42 GLN H 1.800 . 5.000 3.164 2.247 4.404 . 0 0 "[ . 1 . 2]" 1
296 1 42 GLN QG 1 43 LEU H 1.800 . 5.000 2.484 1.804 3.123 . 0 0 "[ . 1 . 2]" 1
297 1 43 LEU HG 1 44 GLN H 1.800 . 4.000 2.458 1.821 3.033 . 0 0 "[ . 1 . 2]" 1
298 1 43 LEU QD 1 44 GLN H 1.800 . 5.000 3.268 2.432 3.768 . 0 0 "[ . 1 . 2]" 1
299 1 45 ILE MG 1 46 LYS H 1.800 . 5.000 3.611 3.160 4.017 . 0 0 "[ . 1 . 2]" 1
300 1 45 ILE MD 1 46 LYS H 1.800 . 5.000 4.399 3.559 4.998 . 0 0 "[ . 1 . 2]" 1
301 1 46 LYS QG 1 47 VAL H 1.800 . 5.000 2.876 1.945 4.412 . 0 0 "[ . 1 . 2]" 1
302 1 46 LYS QD 1 47 VAL H 1.800 . 5.000 4.336 2.554 4.989 . 0 0 "[ . 1 . 2]" 1
303 1 47 VAL MG1 1 48 ASP H 1.800 . 4.000 2.340 1.835 3.064 . 0 0 "[ . 1 . 2]" 1
304 1 47 VAL MG2 1 48 ASP H 1.800 . 5.000 4.070 3.834 4.384 . 0 0 "[ . 1 . 2]" 1
305 1 52 ILE MG 1 53 ILE H 1.800 . 5.000 2.252 1.826 2.679 . 0 0 "[ . 1 . 2]" 1
306 1 52 ILE MD 1 53 ILE H 1.800 . 5.000 3.531 3.258 3.995 . 0 0 "[ . 1 . 2]" 1
307 1 53 ILE MG 1 54 GLU H 1.800 . 5.000 3.226 2.817 3.671 . 0 0 "[ . 1 . 2]" 1
308 1 54 GLU QG 1 55 ASP H 1.800 . 5.000 3.952 1.793 4.662 0.007 8 0 "[ . 1 . 2]" 1
309 1 60 THR MG 1 61 TYR H 1.800 . 5.000 4.087 3.280 4.425 . 0 0 "[ . 1 . 2]" 1
310 1 78 LYS QG 1 79 GLY H 1.800 . 5.000 3.388 2.920 4.009 . 0 0 "[ . 1 . 2]" 1
311 1 88 ILE MG 1 89 LYS H 1.800 . 5.000 3.777 3.226 4.384 . 0 0 "[ . 1 . 2]" 1
312 1 89 LYS QG 1 90 ASN H 1.800 . 5.000 3.696 1.971 4.379 . 0 0 "[ . 1 . 2]" 1
313 1 89 LYS QD 1 90 ASN H 1.800 . 5.000 4.419 3.478 5.008 0.008 17 0 "[ . 1 . 2]" 1
314 1 93 ILE MG 1 94 ALA H 1.800 . 5.000 3.436 3.042 3.868 . 0 0 "[ . 1 . 2]" 1
315 1 96 GLU QG 1 97 LEU H 1.800 . 5.000 3.997 3.185 4.529 . 0 0 "[ . 1 . 2]" 1
316 1 114 ILE MG 1 115 LYS H 1.800 . 3.000 1.918 1.787 2.398 0.013 10 0 "[ . 1 . 2]" 1
317 1 23 LYS H 1 24 ASP QB 1.800 . 5.000 4.265 3.581 5.014 0.014 17 0 "[ . 1 . 2]" 1
318 1 26 ASN H 1 27 VAL HB 1.800 . 5.000 4.052 3.560 4.400 . 0 0 "[ . 1 . 2]" 1
319 1 26 ASN H 1 27 VAL MG2 1.800 . 5.000 3.498 2.837 3.955 . 0 0 "[ . 1 . 2]" 1
320 1 31 MET H 1 32 VAL MG1 1.800 . 5.000 3.712 3.060 4.398 . 0 0 "[ . 1 . 2]" 1
321 1 51 GLY H 1 52 ILE QG 1.800 . 5.000 4.044 3.205 4.593 . 0 0 "[ . 1 . 2]" 1
322 1 59 LYS H 1 60 THR MG 1.800 . 5.000 3.271 2.454 3.871 . 0 0 "[ . 1 . 2]" 1
323 1 76 TRP H 1 77 VAL QG 1.800 . 5.000 3.263 2.956 4.045 . 0 0 "[ . 1 . 2]" 1
324 1 77 VAL H 1 78 LYS QB 1.800 . 4.000 3.855 3.574 4.025 0.025 17 0 "[ . 1 . 2]" 1
325 1 79 GLY H 1 80 LYS QG 1.800 . 5.000 4.357 3.398 4.837 . 0 0 "[ . 1 . 2]" 1
326 1 84 GLU H 1 85 ALA MB 1.800 . 5.000 4.112 3.964 4.372 . 0 0 "[ . 1 . 2]" 1
327 1 86 GLY H 1 87 ALA MB 1.800 . 5.000 3.832 3.662 4.024 . 0 0 "[ . 1 . 2]" 1
328 1 87 ALA H 1 88 ILE HB 1.800 . 5.000 5.005 4.857 5.101 0.101 3 0 "[ . 1 . 2]" 1
329 1 87 ALA H 1 88 ILE MG 1.800 . 5.000 3.770 2.742 4.114 . 0 0 "[ . 1 . 2]" 1
330 1 93 ILE H 1 94 ALA MB 1.800 . 5.000 4.416 4.128 4.649 . 0 0 "[ . 1 . 2]" 1
331 1 98 GLU H 1 99 LEU QD 1.800 . 5.000 3.466 2.864 4.300 . 0 0 "[ . 1 . 2]" 1
332 1 107 SER H 1 108 ILE HB 1.800 . 5.000 4.885 4.657 5.019 0.019 8 0 "[ . 1 . 2]" 1
333 1 112 ASP H 1 113 ALA MB 1.800 . 5.000 4.416 4.087 4.613 . 0 0 "[ . 1 . 2]" 1
334 1 114 ILE H 1 115 LYS QB 1.800 . 5.000 4.571 4.283 4.720 . 0 0 "[ . 1 . 2]" 1
335 1 117 ALA H 1 118 ILE HB 1.800 . 5.000 4.773 4.518 5.016 0.016 17 0 "[ . 1 . 2]" 1
336 1 118 ILE H 1 119 ALA MB 1.800 . 5.000 4.420 4.063 4.636 . 0 0 "[ . 1 . 2]" 1
337 1 24 ASP QB 1 26 ASN H 1.800 . 4.000 2.645 2.086 4.019 0.019 17 0 "[ . 1 . 2]" 1
338 1 25 SER QB 1 27 VAL H 1.800 . 5.000 4.845 4.619 5.029 0.029 15 0 "[ . 1 . 2]" 1
339 1 34 ALA MB 1 36 ALA H 1.800 . 5.000 3.139 2.393 3.881 . 0 0 "[ . 1 . 2]" 1
340 1 36 ALA MB 1 38 GLY H 1.800 . 5.000 3.991 2.708 4.864 . 0 0 "[ . 1 . 2]" 1
341 1 37 CYS QB 1 39 ASP H 1.800 . 5.000 4.144 2.518 5.029 0.029 7 0 "[ . 1 . 2]" 1
342 1 48 ASP QB 1 50 ASN H 1.800 . 4.000 3.424 2.773 4.068 0.068 8 0 "[ . 1 . 2]" 1
343 1 50 ASN HB2 1 52 ILE H 1.800 . 4.000 3.612 3.208 3.969 . 0 0 "[ . 1 . 2]" 1
344 1 84 GLU QB 1 86 GLY H 1.800 . 5.000 4.477 4.190 4.825 . 0 0 "[ . 1 . 2]" 1
345 1 27 VAL QG 1 29 THR H 1.800 . 5.000 4.412 3.584 4.946 . 0 0 "[ . 1 . 2]" 1
346 1 53 ILE MG 1 55 ASP H 1.800 . 5.000 2.681 1.871 3.041 . 0 0 "[ . 1 . 2]" 1
347 1 73 ILE MG 1 75 GLU H 1.800 . 5.000 4.083 3.889 4.690 . 0 0 "[ . 1 . 2]" 1
348 1 104 VAL MG1 1 106 CYS H 1.800 . 5.000 4.491 3.904 4.971 . 0 0 "[ . 1 . 2]" 1
349 1 114 ILE MG 1 116 ALA H 1.800 . 5.000 4.284 4.022 4.751 . 0 0 "[ . 1 . 2]" 1
350 1 21 ASP QB 1 24 ASP H 1.800 . 5.000 4.126 2.891 4.915 . 0 0 "[ . 1 . 2]" 1
351 1 24 ASP QB 1 27 VAL H 1.800 . 5.000 3.345 2.048 4.825 . 0 0 "[ . 1 . 2]" 1
352 1 34 ALA MB 1 37 CYS H 1.800 . 4.000 3.164 2.625 4.011 0.011 6 0 "[ . 1 . 2]" 1
353 1 89 LYS QB 1 92 GLN H 1.800 . 5.000 2.873 2.455 3.320 . 0 0 "[ . 1 . 2]" 1
354 1 53 ILE MG 1 56 ALA H 1.800 . 5.000 4.147 3.569 4.578 . 0 0 "[ . 1 . 2]" 1
355 1 72 LEU HG 1 75 GLU H 1.800 . 5.000 4.865 4.635 5.006 0.006 2 0 "[ . 1 . 2]" 1
356 1 89 LYS QD 1 92 GLN H 1.800 . 5.000 4.649 4.185 4.964 . 0 0 "[ . 1 . 2]" 1
357 1 104 VAL MG1 1 107 SER H 1.800 . 5.000 3.921 3.119 4.930 . 0 0 "[ . 1 . 2]" 1
358 1 34 ALA MB 1 38 GLY H 1.800 . 5.000 3.447 1.992 4.262 . 0 0 "[ . 1 . 2]" 1
359 1 81 SER QB 1 85 ALA H 1.800 . 5.000 4.748 4.427 5.004 0.004 14 0 "[ . 1 . 2]" 1
360 1 101 PRO QB 1 104 VAL H 1.800 . 5.000 4.860 4.377 5.016 0.016 13 0 "[ . 1 . 2]" 1
361 1 47 VAL MG1 1 51 GLY H 1.800 . 5.000 2.750 2.351 3.531 . 0 0 "[ . 1 . 2]" 1
362 1 82 LEU MD2 1 86 GLY H 1.800 . 5.000 4.379 3.639 4.999 . 0 0 "[ . 1 . 2]" 1
363 1 93 ILE MG 1 97 LEU H 1.800 . 5.000 3.887 3.444 4.194 . 0 0 "[ . 1 . 2]" 1
364 1 118 ILE MG 1 122 LYS H 1.800 . 5.000 3.880 3.375 4.225 . 0 0 "[ . 1 . 2]" 1
365 1 72 LEU HA 1 75 GLU QB 1.800 . 5.000 2.930 2.535 3.321 . 0 0 "[ . 1 . 2]" 1
366 1 73 ILE HA 1 76 TRP QB 1.800 . 5.000 2.306 2.140 2.801 . 0 0 "[ . 1 . 2]" 1
367 1 75 GLU HA 1 78 LYS QB 1.800 . 5.000 2.938 2.337 3.591 . 0 0 "[ . 1 . 2]" 1
368 1 77 VAL HA 1 80 LYS QB 1.800 . 5.000 2.791 2.184 3.421 . 0 0 "[ . 1 . 2]" 1
369 1 82 LEU HA 1 85 ALA MB 1.800 . 5.000 2.637 2.225 3.355 . 0 0 "[ . 1 . 2]" 1
370 1 84 GLU HA 1 87 ALA MB 1.800 . 5.000 3.095 2.514 4.071 . 0 0 "[ . 1 . 2]" 1
371 1 91 SER HA 1 94 ALA MB 1.800 . 5.000 2.471 2.115 3.457 . 0 0 "[ . 1 . 2]" 1
372 1 92 GLN HA 1 95 GLU QB 1.800 . 5.000 2.912 2.165 4.096 . 0 0 "[ . 1 . 2]" 1
373 1 101 PRO HA 1 104 VAL HB 1.800 . 5.000 4.227 2.197 5.045 0.045 13 0 "[ . 1 . 2]" 1
374 1 107 SER HA 1 110 ALA MB 1.800 . 5.000 2.546 2.172 2.996 . 0 0 "[ . 1 . 2]" 1
375 1 110 ALA HA 1 113 ALA MB 1.800 . 5.000 2.708 2.433 3.053 . 0 0 "[ . 1 . 2]" 1
376 1 113 ALA HA 1 116 ALA MB 1.800 . 5.000 2.731 2.371 3.097 . 0 0 "[ . 1 . 2]" 1
377 1 114 ILE HA 1 117 ALA MB 1.800 . 5.000 2.813 2.484 3.280 . 0 0 "[ . 1 . 2]" 1
378 1 116 ALA HA 1 119 ALA MB 1.800 . 5.000 2.708 2.252 3.034 . 0 0 "[ . 1 . 2]" 1
379 1 120 ASP HA 1 123 ALA MB 1.800 . 5.000 2.480 2.154 2.881 . 0 0 "[ . 1 . 2]" 1
380 1 70 SER HA 1 73 ILE MG 1.800 . 5.000 2.147 1.933 2.363 . 0 0 "[ . 1 . 2]" 1
381 1 74 THR HA 1 77 VAL QG 1.800 . 5.000 2.362 2.055 3.660 . 0 0 "[ . 1 . 2]" 1
382 1 85 ALA HA 1 88 ILE MD 1.800 . 5.000 2.275 2.119 2.465 . 0 0 "[ . 1 . 2]" 1
383 1 90 ASN HA 1 93 ILE MD 1.800 . 5.000 3.070 2.329 4.006 . 0 0 "[ . 1 . 2]" 1
384 1 101 PRO HA 1 104 VAL MG1 1.800 . 5.000 4.091 3.103 4.518 . 0 0 "[ . 1 . 2]" 1
385 1 101 PRO HA 1 104 VAL MG2 1.800 . 5.000 2.468 1.959 3.852 . 0 0 "[ . 1 . 2]" 1
386 1 105 HIS HA 1 108 ILE MG 1.800 . 5.000 3.891 3.266 4.458 . 0 0 "[ . 1 . 2]" 1
387 1 105 HIS HA 1 108 ILE MD 1.800 . 5.000 2.819 2.050 4.726 . 0 0 "[ . 1 . 2]" 1
388 1 106 CYS HA 1 109 LEU MD1 1.800 . 5.000 3.794 3.323 4.220 . 0 0 "[ . 1 . 2]" 1
389 1 106 CYS HA 1 109 LEU MD2 1.800 . 5.000 3.339 2.814 4.058 . 0 0 "[ . 1 . 2]" 1
390 1 111 GLU HA 1 114 ILE MG 1.800 . 5.000 2.845 2.379 3.301 . 0 0 "[ . 1 . 2]" 1
391 1 111 GLU HA 1 114 ILE MD 1.800 . 5.000 4.893 4.508 5.047 0.047 11 0 "[ . 1 . 2]" 1
392 1 115 LYS HA 1 118 ILE MG 1.800 . 5.000 4.068 3.665 4.492 . 0 0 "[ . 1 . 2]" 1
393 1 115 LYS HA 1 118 ILE MD 1.800 . 5.000 2.598 2.193 3.202 . 0 0 "[ . 1 . 2]" 1
394 1 28 GLY H 1 45 ILE H 1.800 . 5.000 3.681 3.212 4.234 . 0 0 "[ . 1 . 2]" 1
395 1 29 THR H 1 120 ASP H 1.800 . 5.000 4.831 4.512 5.011 0.011 3 0 "[ . 1 . 2]" 1
396 1 30 GLY H 1 43 LEU H 1.800 . 4.000 3.648 2.989 4.003 0.003 3 0 "[ . 1 . 2]" 1
397 1 31 MET H 1 43 LEU H 1.800 . 5.000 4.866 4.614 5.018 0.018 19 0 "[ . 1 . 2]" 1
398 1 32 VAL H 1 41 MET H 1.800 . 4.000 3.799 3.250 3.995 . 0 0 "[ . 1 . 2]" 1
399 1 32 VAL H 1 43 LEU H 1.800 . 5.000 4.318 3.753 4.686 . 0 0 "[ . 1 . 2]" 1
400 1 33 GLY H 1 41 MET H 1.800 . 5.000 4.672 4.479 5.010 0.010 5 0 "[ . 1 . 2]" 1
401 1 34 ALA H 1 39 ASP H 1.800 . 5.000 3.043 2.481 4.548 . 0 0 "[ . 1 . 2]" 1
402 1 34 ALA H 1 41 MET H 1.800 . 5.000 4.750 4.131 5.004 0.004 1 0 "[ . 1 . 2]" 1
403 1 42 GLN H 1 59 LYS H 1.800 . 4.000 3.617 3.269 4.003 0.003 17 0 "[ . 1 . 2]" 1
404 1 44 GLN H 1 57 LYS H 1.800 . 5.000 3.948 3.197 4.541 . 0 0 "[ . 1 . 2]" 1
405 1 46 LYS H 1 55 ASP H 1.800 . 4.000 3.735 3.322 4.034 0.034 10 0 "[ . 1 . 2]" 1
406 1 48 ASP H 1 51 GLY H 1.800 . 5.000 4.017 3.517 4.688 . 0 0 "[ . 1 . 2]" 1
407 1 48 ASP H 1 52 ILE H 1.800 . 4.000 3.527 2.965 3.943 . 0 0 "[ . 1 . 2]" 1
408 1 48 ASP H 1 54 GLU H 1.800 . 4.000 3.159 1.826 3.868 . 0 0 "[ . 1 . 2]" 1
409 1 53 ILE H 1 80 LYS H 1.800 . 5.000 4.163 3.518 4.849 . 0 0 "[ . 1 . 2]" 1
410 1 81 SER H 1 84 GLU H 1.800 . 5.000 3.534 3.150 3.972 . 0 0 "[ . 1 . 2]" 1
411 1 81 SER H 1 85 ALA H 1.800 . 5.000 4.331 3.953 4.690 . 0 0 "[ . 1 . 2]" 1
412 1 92 GLN H 1 95 GLU H 1.800 . 5.000 4.712 4.495 4.937 . 0 0 "[ . 1 . 2]" 1
413 1 27 VAL HA 1 47 VAL H 1.800 . 4.000 3.481 2.784 3.962 . 0 0 "[ . 1 . 2]" 1
414 1 28 GLY QA 1 121 TYR H 1.800 . 5.000 3.183 2.620 3.971 . 0 0 "[ . 1 . 2]" 1
415 1 29 THR HA 1 45 ILE H 1.800 . 5.000 3.709 3.315 4.301 . 0 0 "[ . 1 . 2]" 1
416 1 30 GLY QA 1 117 ALA H 1.800 . 5.000 2.847 2.226 3.383 . 0 0 "[ . 1 . 2]" 1
417 1 31 MET HA 1 43 LEU H 1.800 . 4.000 3.210 2.674 3.852 . 0 0 "[ . 1 . 2]" 1
418 1 33 GLY QA 1 41 MET H 1.800 . 5.000 2.657 2.367 3.186 . 0 0 "[ . 1 . 2]" 1
419 1 34 ALA HA 1 39 ASP H 1.800 . 5.000 4.829 4.481 5.018 0.018 4 0 "[ . 1 . 2]" 1
420 1 41 MET HA 1 61 TYR H 1.800 . 5.000 3.685 2.895 4.334 . 0 0 "[ . 1 . 2]" 1
421 1 43 LEU HA 1 59 LYS H 1.800 . 4.000 3.571 3.164 4.021 0.021 7 0 "[ . 1 . 2]" 1
422 1 45 ILE HA 1 57 LYS H 1.800 . 4.000 3.339 2.527 3.916 . 0 0 "[ . 1 . 2]" 1
423 1 28 GLY H 1 121 TYR HA 1.800 . 5.000 4.924 4.613 5.012 0.012 1 0 "[ . 1 . 2]" 1
424 1 29 THR H 1 117 ALA HA 1.800 . 5.000 3.527 2.928 4.279 . 0 0 "[ . 1 . 2]" 1
425 1 29 THR H 1 121 TYR HA 1.800 . 5.000 4.687 3.794 4.962 . 0 0 "[ . 1 . 2]" 1
426 1 30 GLY H 1 44 GLN HA 1.800 . 5.000 2.987 2.295 3.477 . 0 0 "[ . 1 . 2]" 1
427 1 30 GLY H 1 117 ALA HA 1.800 . 5.000 3.816 3.168 4.520 . 0 0 "[ . 1 . 2]" 1
428 1 32 VAL H 1 42 GLN HA 1.800 . 4.000 3.098 2.651 3.605 . 0 0 "[ . 1 . 2]" 1
429 1 42 GLN H 1 60 THR HA 1.800 . 4.000 3.376 2.789 3.987 . 0 0 "[ . 1 . 2]" 1
430 1 44 GLN H 1 58 PHE HA 1.800 . 5.000 2.951 2.342 3.745 . 0 0 "[ . 1 . 2]" 1
431 1 46 LYS H 1 56 ALA HA 1.800 . 4.000 2.915 2.524 3.235 . 0 0 "[ . 1 . 2]" 1
432 1 48 ASP H 1 53 ILE HA 1.800 . 4.000 3.786 3.411 4.019 0.019 15 0 "[ . 1 . 2]" 1
433 1 53 ILE H 1 81 SER HA 1.800 . 4.000 3.174 2.255 3.704 . 0 0 "[ . 1 . 2]" 1
434 1 27 VAL HA 1 46 LYS HA 1.800 . 5.000 2.701 2.222 3.299 . 0 0 "[ . 1 . 2]" 1
435 1 29 THR HA 1 44 GLN HA 1.800 . 4.000 2.610 2.204 3.063 . 0 0 "[ . 1 . 2]" 1
436 1 31 MET HA 1 42 GLN HA 1.800 . 5.000 2.362 2.209 2.774 . 0 0 "[ . 1 . 2]" 1
437 1 39 ASP HA 1 62 GLY QA 1.800 . 4.000 3.368 2.314 4.004 0.004 16 0 "[ . 1 . 2]" 1
438 1 41 MET HA 1 60 THR HA 1.800 . 4.000 2.780 2.326 3.146 . 0 0 "[ . 1 . 2]" 1
439 1 43 LEU HA 1 58 PHE HA 1.800 . 4.000 2.423 2.199 2.791 . 0 0 "[ . 1 . 2]" 1
440 1 45 ILE HA 1 56 ALA HA 1.800 . 4.000 2.500 2.201 2.968 . 0 0 "[ . 1 . 2]" 1
441 1 47 VAL HA 1 53 ILE HA 1.800 . 4.000 2.388 2.195 3.006 . 0 0 "[ . 1 . 2]" 1
442 1 26 ASN HB2 1 47 VAL H 1.800 . 5.000 3.839 2.356 5.006 0.006 16 0 "[ . 1 . 2]" 1
443 1 26 ASN HB3 1 47 VAL H 1.800 . 5.000 3.967 2.204 4.831 . 0 0 "[ . 1 . 2]" 1
444 1 27 VAL MG1 1 45 ILE H 1.800 . 5.000 4.184 3.672 4.635 . 0 0 "[ . 1 . 2]" 1
445 1 27 VAL QG 1 47 VAL H 1.800 . 5.000 3.759 3.010 4.367 . 0 0 "[ . 1 . 2]" 1
446 1 29 THR MG 1 43 LEU H 1.800 . 5.000 4.522 3.853 4.996 . 0 0 "[ . 1 . 2]" 1
447 1 32 VAL QG 1 112 ASP H 1.800 . 5.000 4.606 4.227 4.951 . 0 0 "[ . 1 . 2]" 1
448 1 32 VAL QG 1 113 ALA H 1.800 . 5.000 3.197 2.775 3.631 . 0 0 "[ . 1 . 2]" 1
449 1 32 VAL MG1 1 116 ALA H 1.800 . 5.000 4.024 3.164 4.709 . 0 0 "[ . 1 . 2]" 1
450 1 34 ALA MB 1 39 ASP H 1.800 . 4.000 2.950 2.314 3.521 . 0 0 "[ . 1 . 2]" 1
451 1 41 MET QG 1 59 LYS H 1.800 . 5.000 4.093 3.635 4.888 . 0 0 "[ . 1 . 2]" 1
452 1 41 MET ME 1 59 LYS H 1.800 . 5.000 4.392 3.765 4.834 . 0 0 "[ . 1 . 2]" 1
453 1 41 MET ME 1 110 ALA H 1.800 . 5.000 4.303 3.308 4.911 . 0 0 "[ . 1 . 2]" 1
454 1 41 MET ME 1 113 ALA H 1.800 . 5.000 4.600 4.149 4.983 . 0 0 "[ . 1 . 2]" 1
455 1 42 GLN QG 1 59 LYS H 1.800 . 5.000 4.338 2.974 4.991 . 0 0 "[ . 1 . 2]" 1
456 1 45 ILE QG 1 117 ALA H 1.800 . 5.000 4.985 4.851 5.034 0.034 10 0 "[ . 1 . 2]" 1
457 1 46 LYS QG 1 55 ASP H 1.800 . 5.000 4.055 2.730 4.924 . 0 0 "[ . 1 . 2]" 1
458 1 46 LYS QD 1 55 ASP H 1.800 . 5.000 4.052 2.954 5.011 0.011 13 0 "[ . 1 . 2]" 1
459 1 47 VAL MG2 1 54 GLU H 1.800 . 5.000 4.460 3.569 5.006 0.006 15 0 "[ . 1 . 2]" 1
460 1 47 VAL MG1 1 52 ILE H 1.800 . 5.000 2.882 2.368 3.276 . 0 0 "[ . 1 . 2]" 1
461 1 52 ILE MG 1 79 GLY H 1.800 . 5.000 4.091 3.317 4.714 . 0 0 "[ . 1 . 2]" 1
462 1 52 ILE MG 1 80 LYS H 1.800 . 5.000 4.172 3.593 4.709 . 0 0 "[ . 1 . 2]" 1
463 1 52 ILE MD 1 81 SER H 1.800 . 5.000 4.340 3.797 4.980 . 0 0 "[ . 1 . 2]" 1
464 1 52 ILE MD 1 82 LEU H 1.800 . 5.000 4.294 3.463 4.874 . 0 0 "[ . 1 . 2]" 1
465 1 53 ILE HB 1 79 GLY H 1.800 . 5.000 2.525 1.854 3.516 . 0 0 "[ . 1 . 2]" 1
466 1 53 ILE MG 1 78 LYS H 1.800 . 5.000 4.622 4.292 4.988 . 0 0 "[ . 1 . 2]" 1
467 1 53 ILE MG 1 79 GLY H 1.800 . 5.000 2.602 1.798 3.971 0.002 16 0 "[ . 1 . 2]" 1
468 1 53 ILE MG 1 80 LYS H 1.800 . 5.000 3.988 3.130 4.732 . 0 0 "[ . 1 . 2]" 1
469 1 56 ALA MB 1 78 LYS H 1.800 . 5.000 4.615 3.454 5.021 0.021 12 0 "[ . 1 . 2]" 1
470 1 56 ALA MB 1 77 VAL H 1.800 . 5.000 4.647 4.443 4.889 . 0 0 "[ . 1 . 2]" 1
471 1 72 LEU QD 1 96 GLU H 1.800 . 5.000 4.882 4.530 5.019 0.019 3 0 "[ . 1 . 2]" 1
472 1 72 LEU QD 1 97 LEU H 1.800 . 5.000 4.132 3.613 4.745 . 0 0 "[ . 1 . 2]" 1
473 1 77 VAL MG1 1 85 ALA H 1.800 . 5.000 4.550 3.770 4.931 . 0 0 "[ . 1 . 2]" 1
474 1 80 LYS QB 1 85 ALA H 1.800 . 5.000 3.987 3.369 4.589 . 0 0 "[ . 1 . 2]" 1
475 1 89 LYS QB 1 91 SER H 1.800 . 5.000 2.682 2.201 3.734 . 0 0 "[ . 1 . 2]" 1
476 1 89 LYS QD 1 91 SER H 1.800 . 5.000 4.416 3.928 4.868 . 0 0 "[ . 1 . 2]" 1
477 1 93 ILE MD 1 111 GLU H 1.800 . 5.000 4.128 3.491 4.840 . 0 0 "[ . 1 . 2]" 1
478 1 99 LEU QD 1 106 CYS H 1.800 . 5.000 3.977 3.350 4.423 . 0 0 "[ . 1 . 2]" 1
479 1 99 LEU QD 1 107 SER H 1.800 . 5.000 3.203 2.562 4.038 . 0 0 "[ . 1 . 2]" 1
480 1 20 LEU H 1 27 VAL HB 1.800 . 5.000 4.838 4.284 5.013 0.013 15 0 "[ . 1 . 2]" 1
481 1 20 LEU H 1 27 VAL MG1 1.800 . 5.000 3.718 2.215 4.859 . 0 0 "[ . 1 . 2]" 1
482 1 20 LEU H 1 27 VAL MG2 1.800 . 5.000 2.945 1.862 4.959 . 0 0 "[ . 1 . 2]" 1
483 1 21 ASP H 1 27 VAL QG 1.800 . 5.000 3.925 2.120 4.991 . 0 0 "[ . 1 . 2]" 1
484 1 24 ASP H 1 27 VAL HB 1.800 . 4.000 3.561 2.698 3.984 . 0 0 "[ . 1 . 2]" 1
485 1 24 ASP H 1 27 VAL MG1 1.800 . 5.000 4.534 3.937 4.989 . 0 0 "[ . 1 . 2]" 1
486 1 24 ASP H 1 27 VAL MG2 1.800 . 5.000 3.960 2.056 4.706 . 0 0 "[ . 1 . 2]" 1
487 1 26 ASN H 1 121 TYR QE 1.800 . 5.000 4.756 3.794 5.007 0.007 14 0 "[ . 1 . 2]" 1
488 1 28 GLY H 1 45 ILE QG 1.800 . 5.000 3.020 2.507 3.544 . 0 0 "[ . 1 . 2]" 1
489 1 28 GLY H 1 45 ILE MD 1.800 . 5.000 3.412 2.554 4.305 . 0 0 "[ . 1 . 2]" 1
490 1 28 GLY H 1 47 VAL MG2 1.800 . 5.000 3.879 2.837 4.971 . 0 0 "[ . 1 . 2]" 1
491 1 29 THR H 1 120 ASP HB2 1.800 . 4.000 2.883 2.266 3.970 . 0 0 "[ . 1 . 2]" 1
492 1 29 THR H 1 120 ASP HB3 1.800 . 4.000 2.524 2.049 3.177 . 0 0 "[ . 1 . 2]" 1
493 1 30 GLY H 1 44 GLN QG 1.800 . 5.000 3.542 2.404 4.564 . 0 0 "[ . 1 . 2]" 1
494 1 30 GLY H 1 117 ALA MB 1.800 . 5.000 3.332 2.520 4.270 . 0 0 "[ . 1 . 2]" 1
495 1 32 VAL H 1 41 MET QB 1.800 . 5.000 3.909 3.306 4.309 . 0 0 "[ . 1 . 2]" 1
496 1 33 GLY H 1 109 LEU MD1 1.800 . 5.000 4.377 3.585 4.938 . 0 0 "[ . 1 . 2]" 1
497 1 34 ALA H 1 39 ASP QB 1.800 . 5.000 3.441 2.422 4.882 . 0 0 "[ . 1 . 2]" 1
498 1 34 ALA H 1 109 LEU MD1 1.800 . 5.000 4.230 3.888 4.717 . 0 0 "[ . 1 . 2]" 1
499 1 39 ASP H 1 109 LEU MD2 1.800 . 5.000 4.741 4.161 4.988 . 0 0 "[ . 1 . 2]" 1
500 1 42 GLN H 1 59 LYS QB 1.800 . 5.000 3.552 2.800 4.034 . 0 0 "[ . 1 . 2]" 1
501 1 42 GLN H 1 60 THR MG 1.800 . 5.000 3.876 2.021 4.860 . 0 0 "[ . 1 . 2]" 1
502 1 46 LYS H 1 53 ILE MD 1.800 . 5.000 4.677 4.080 5.004 0.004 5 0 "[ . 1 . 2]" 1
503 1 46 LYS H 1 53 ILE MG 1.800 . 5.000 2.776 2.350 3.134 . 0 0 "[ . 1 . 2]" 1
504 1 48 ASP H 1 52 ILE HB 1.800 . 5.000 4.071 3.382 4.600 . 0 0 "[ . 1 . 2]" 1
505 1 48 ASP H 1 52 ILE MG 1.800 . 5.000 4.753 4.092 5.014 0.014 4 0 "[ . 1 . 2]" 1
506 1 48 ASP H 1 54 GLU QB 1.800 . 5.000 3.589 2.202 4.827 . 0 0 "[ . 1 . 2]" 1
507 1 48 ASP H 1 54 GLU QG 1.800 . 5.000 4.409 2.744 5.012 0.012 20 0 "[ . 1 . 2]" 1
508 1 50 ASN H 1 52 ILE QG 1.800 . 5.000 4.282 3.204 5.019 0.019 1 0 "[ . 1 . 2]" 1
509 1 56 ALA H 1 78 LYS QG 1.800 . 5.000 3.425 2.054 4.996 . 0 0 "[ . 1 . 2]" 1
510 1 56 ALA H 1 78 LYS QE 1.800 . 5.000 3.341 2.447 4.921 . 0 0 "[ . 1 . 2]" 1
511 1 58 PHE H 1 74 THR MG 1.800 . 5.000 4.091 3.348 4.711 . 0 0 "[ . 1 . 2]" 1
512 1 59 LYS H 1 74 THR MG 1.800 . 5.000 4.926 4.767 5.010 0.010 16 0 "[ . 1 . 2]" 1
513 1 62 GLY H 1 67 ILE MD 1.800 . 5.000 4.506 3.223 4.998 . 0 0 "[ . 1 . 2]" 1
514 1 63 CYS H 1 66 ALA MB 1.800 . 5.000 4.122 2.973 5.003 0.003 9 0 "[ . 1 . 2]" 1
515 1 69 SER H 1 97 LEU MD1 1.800 . 5.000 3.931 2.906 4.960 . 0 0 "[ . 1 . 2]" 1
516 1 69 SER H 1 97 LEU MD2 1.800 . 5.000 4.055 2.812 4.970 . 0 0 "[ . 1 . 2]" 1
517 1 73 ILE H 1 93 ILE MD 1.800 . 5.000 4.309 3.334 4.987 . 0 0 "[ . 1 . 2]" 1
518 1 81 SER H 1 84 GLU QG 1.800 . 5.000 3.577 2.089 5.003 0.003 15 0 "[ . 1 . 2]" 1
519 1 85 ALA H 1 88 ILE MG 1.800 . 5.000 4.698 4.021 5.001 0.001 12 0 "[ . 1 . 2]" 1
520 1 85 ALA H 1 88 ILE MD 1.800 . 5.000 4.757 4.172 4.968 . 0 0 "[ . 1 . 2]" 1
521 1 85 ALA H 1 114 ILE QG 1.800 . 5.000 4.967 4.684 5.031 0.031 18 0 "[ . 1 . 2]" 1
522 1 86 GLY H 1 88 ILE MD 1.800 . 5.000 4.933 4.816 5.014 0.014 4 0 "[ . 1 . 2]" 1
523 1 86 GLY H 1 114 ILE MG 1.800 . 5.000 4.840 4.546 5.022 0.022 14 0 "[ . 1 . 2]" 1
524 1 86 GLY H 1 118 ILE MD 1.800 . 5.000 3.626 2.909 4.356 . 0 0 "[ . 1 . 2]" 1
525 1 89 LYS H 1 92 GLN QB 1.800 . 5.000 3.811 2.326 5.009 0.009 18 0 "[ . 1 . 2]" 1
526 1 89 LYS H 1 111 GLU QB 1.800 . 5.000 4.859 4.377 5.023 0.023 14 0 "[ . 1 . 2]" 1
527 1 91 SER H 1 111 GLU QB 1.800 . 5.000 4.883 4.304 5.032 0.032 12 0 "[ . 1 . 2]" 1
528 1 95 GLU H 1 99 LEU MD2 1.800 . 5.000 4.854 4.560 5.010 0.010 11 0 "[ . 1 . 2]" 1
529 1 97 LEU H 1 99 LEU QD 1.800 . 5.000 3.735 3.127 4.563 . 0 0 "[ . 1 . 2]" 1
530 1 106 CYS H 1 109 LEU MD1 1.800 . 5.000 4.764 4.427 4.994 . 0 0 "[ . 1 . 2]" 1
531 1 115 LYS H 1 118 ILE MD 1.800 . 5.000 4.374 3.920 4.922 . 0 0 "[ . 1 . 2]" 1
532 1 22 LYS HA 1 27 VAL MG2 1.800 . 5.000 4.569 3.852 4.949 . 0 0 "[ . 1 . 2]" 1
533 1 22 LYS HA 1 27 VAL MG1 1.800 . 5.000 3.594 2.535 4.989 . 0 0 "[ . 1 . 2]" 1
534 1 27 VAL MG2 1 46 LYS HA 1.800 . 5.000 3.337 2.323 4.152 . 0 0 "[ . 1 . 2]" 1
535 1 29 THR MG 1 44 GLN HA 1.800 . 5.000 3.769 3.178 4.480 . 0 0 "[ . 1 . 2]" 1
536 1 31 MET ME 1 42 GLN HA 1.800 . 5.000 4.640 3.814 5.004 0.004 12 0 "[ . 1 . 2]" 1
537 1 32 VAL MG2 1 109 LEU HA 1.800 . 5.000 3.402 2.760 3.975 . 0 0 "[ . 1 . 2]" 1
538 1 32 VAL MG1 1 112 ASP HA 1.800 . 5.000 4.411 3.706 4.961 . 0 0 "[ . 1 . 2]" 1
539 1 32 VAL MG1 1 113 ALA HA 1.800 . 5.000 2.616 2.169 3.195 . 0 0 "[ . 1 . 2]" 1
540 1 32 VAL MG2 1 113 ALA HA 1.800 . 5.000 2.572 2.097 3.992 . 0 0 "[ . 1 . 2]" 1
541 1 34 ALA MB 1 105 HIS HA 1.800 . 5.000 4.772 4.205 5.012 0.012 4 0 "[ . 1 . 2]" 1
542 1 41 MET HA 1 60 THR MG 1.800 . 5.000 3.832 2.060 4.851 . 0 0 "[ . 1 . 2]" 1
543 1 41 MET ME 1 43 LEU HA 1.800 . 5.000 4.286 3.642 4.973 . 0 0 "[ . 1 . 2]" 1
544 1 41 MET ME 1 70 SER HA 1.800 . 5.000 3.487 2.602 4.201 . 0 0 "[ . 1 . 2]" 1
545 1 41 MET ME 1 110 ALA HA 1.800 . 5.000 2.549 2.064 2.931 . 0 0 "[ . 1 . 2]" 1
546 1 43 LEU MD2 1 114 ILE HA 1.800 . 5.000 2.670 2.062 3.454 . 0 0 "[ . 1 . 2]" 1
547 1 43 LEU MD1 1 58 PHE HA 1.800 . 5.000 3.593 2.457 4.827 . 0 0 "[ . 1 . 2]" 1
548 1 44 GLN HA 1 117 ALA MB 1.800 . 4.000 3.385 2.762 3.853 . 0 0 "[ . 1 . 2]" 1
549 1 45 ILE HA 1 56 ALA MB 1.800 . 4.000 3.076 2.233 3.942 . 0 0 "[ . 1 . 2]" 1
550 1 45 ILE MG 1 56 ALA HA 1.800 . 5.000 3.544 2.919 4.370 . 0 0 "[ . 1 . 2]" 1
551 1 45 ILE MD 1 118 ILE HA 1.800 . 5.000 3.310 2.755 3.870 . 0 0 "[ . 1 . 2]" 1
552 1 47 VAL MG1 1 51 GLY HA3 1.800 . 5.000 3.594 3.271 4.216 . 0 0 "[ . 1 . 2]" 1
553 1 47 VAL MG1 1 51 GLY HA2 1.800 . 5.000 2.256 2.011 2.840 . 0 0 "[ . 1 . 2]" 1
554 1 52 ILE MG 1 54 GLU HA 1.800 . 5.000 3.738 3.381 4.240 . 0 0 "[ . 1 . 2]" 1
555 1 52 ILE MG 1 79 GLY HA2 1.800 . 5.000 2.867 2.235 3.717 . 0 0 "[ . 1 . 2]" 1
556 1 52 ILE MG 1 79 GLY HA3 1.800 . 5.000 4.044 3.267 4.902 . 0 0 "[ . 1 . 2]" 1
557 1 52 ILE MG 1 80 LYS HA 1.800 . 5.000 3.957 3.529 4.661 . 0 0 "[ . 1 . 2]" 1
558 1 52 ILE MG 1 81 SER HA 1.800 . 5.000 3.485 2.217 4.148 . 0 0 "[ . 1 . 2]" 1
559 1 52 ILE MD 1 80 LYS HA 1.800 . 5.000 4.371 3.625 4.990 . 0 0 "[ . 1 . 2]" 1
560 1 52 ILE MD 1 81 SER HA 1.800 . 5.000 2.897 2.228 3.384 . 0 0 "[ . 1 . 2]" 1
561 1 72 LEU MD2 1 93 ILE HA 1.800 . 5.000 3.334 2.754 4.005 . 0 0 "[ . 1 . 2]" 1
562 1 73 ILE MG 1 110 ALA HA 1.800 . 5.000 4.039 3.486 4.702 . 0 0 "[ . 1 . 2]" 1
563 1 73 ILE MD 1 110 ALA HA 1.800 . 5.000 3.055 2.332 3.603 . 0 0 "[ . 1 . 2]" 1
564 1 77 VAL MG1 1 85 ALA HA 1.800 . 5.000 3.167 2.385 4.136 . 0 0 "[ . 1 . 2]" 1
565 1 82 LEU MD2 1 118 ILE HA 1.800 . 5.000 3.464 2.840 3.719 . 0 0 "[ . 1 . 2]" 1
566 1 86 GLY QA 1 118 ILE MD 1.800 . 5.000 2.255 1.864 3.110 . 0 0 "[ . 1 . 2]" 1
567 1 93 ILE MG 1 107 SER HA 1.800 . 5.000 3.572 2.456 4.446 . 0 0 "[ . 1 . 2]" 1
568 1 93 ILE MD 1 107 SER HA 1.800 . 5.000 4.226 3.384 4.999 . 0 0 "[ . 1 . 2]" 1
569 1 94 ALA HA 1 99 LEU QD 1.800 . 5.000 2.149 1.981 2.410 . 0 0 "[ . 1 . 2]" 1
570 1 20 LEU QD 1 27 VAL MG1 1.800 . 5.000 4.223 2.632 4.997 . 0 0 "[ . 1 . 2]" 1
571 1 20 LEU QD 1 27 VAL MG2 1.800 . 5.000 3.611 2.459 4.724 . 0 0 "[ . 1 . 2]" 1
572 1 20 LEU QD 1 46 LYS QD 1.800 . 5.000 3.726 2.376 4.830 . 0 0 "[ . 1 . 2]" 1
573 1 20 LEU QD 1 46 LYS QE 1.800 . 5.000 3.740 2.168 4.991 . 0 0 "[ . 1 . 2]" 1
574 1 27 VAL MG2 1 46 LYS QG 1.800 . 5.000 2.782 2.162 4.285 . 0 0 "[ . 1 . 2]" 1
575 1 27 VAL MG2 1 46 LYS QD 1.800 . 5.000 3.498 2.072 5.002 0.002 7 0 "[ . 1 . 2]" 1
576 1 29 THR MG 1 42 GLN QG 1.800 . 5.000 3.425 2.695 3.936 . 0 0 "[ . 1 . 2]" 1
577 1 31 MET QG 1 40 VAL QG 1.800 . 5.000 3.817 2.722 4.696 . 0 0 "[ . 1 . 2]" 1
578 1 31 MET ME 1 40 VAL QG 1.800 . 5.000 3.017 1.983 4.956 . 0 0 "[ . 1 . 2]" 1
579 1 32 VAL HB 1 109 LEU MD1 1.800 . 5.000 4.140 3.304 4.816 . 0 0 "[ . 1 . 2]" 1
580 1 32 VAL MG1 1 112 ASP HB2 1.800 . 5.000 4.256 3.489 4.832 . 0 0 "[ . 1 . 2]" 1
581 1 32 VAL MG1 1 112 ASP HB3 1.800 . 5.000 2.873 2.202 3.514 . 0 0 "[ . 1 . 2]" 1
582 1 32 VAL MG1 1 113 ALA MB 1.800 . 5.000 3.449 2.267 4.033 . 0 0 "[ . 1 . 2]" 1
583 1 32 VAL MG1 1 116 ALA MB 1.800 . 5.000 2.455 1.915 3.043 . 0 0 "[ . 1 . 2]" 1
584 1 32 VAL MG2 1 41 MET ME 1.800 . 5.000 3.732 3.124 4.446 . 0 0 "[ . 1 . 2]" 1
585 1 32 VAL MG2 1 109 LEU HG 1.800 . 5.000 2.871 2.045 3.732 . 0 0 "[ . 1 . 2]" 1
586 1 32 VAL MG2 1 109 LEU MD2 1.800 . 5.000 3.467 2.002 4.267 . 0 0 "[ . 1 . 2]" 1
587 1 34 ALA MB 1 36 ALA MB 1.800 . 5.000 3.129 2.487 3.730 . 0 0 "[ . 1 . 2]" 1
588 1 34 ALA MB 1 39 ASP QB 1.800 . 4.000 2.793 2.152 4.017 0.017 7 0 "[ . 1 . 2]" 1
589 1 34 ALA MB 1 105 HIS HD2 1.800 . 5.000 3.674 2.709 4.980 . 0 0 "[ . 1 . 2]" 1
590 1 34 ALA MB 1 109 LEU QB 1.800 . 5.000 4.437 4.062 4.924 . 0 0 "[ . 1 . 2]" 1
591 1 34 ALA MB 1 109 LEU MD1 1.800 . 5.000 2.253 2.025 2.876 . 0 0 "[ . 1 . 2]" 1
592 1 34 ALA MB 1 109 LEU MD2 1.800 . 5.000 2.387 1.979 2.884 . 0 0 "[ . 1 . 2]" 1
593 1 39 ASP QB 1 109 LEU MD2 1.800 . 5.000 3.223 2.306 4.236 . 0 0 "[ . 1 . 2]" 1
594 1 41 MET ME 1 43 LEU MD1 1.800 . 5.000 2.399 1.959 3.060 . 0 0 "[ . 1 . 2]" 1
595 1 41 MET ME 1 43 LEU MD2 1.800 . 5.000 3.913 3.143 4.959 . 0 0 "[ . 1 . 2]" 1
596 1 41 MET ME 1 60 THR MG 1.800 . 5.000 3.167 2.467 4.746 . 0 0 "[ . 1 . 2]" 1
597 1 41 MET ME 1 73 ILE MG 1.800 . 5.000 3.293 2.385 4.011 . 0 0 "[ . 1 . 2]" 1
598 1 41 MET ME 1 73 ILE MD 1.800 . 5.000 3.521 2.632 4.163 . 0 0 "[ . 1 . 2]" 1
599 1 41 MET ME 1 74 THR MG 1.800 . 5.000 4.348 3.399 4.936 . 0 0 "[ . 1 . 2]" 1
600 1 41 MET ME 1 110 ALA MB 1.800 . 5.000 3.343 2.681 3.956 . 0 0 "[ . 1 . 2]" 1
601 1 41 MET ME 1 113 ALA MB 1.800 . 5.000 2.526 2.007 2.940 . 0 0 "[ . 1 . 2]" 1
602 1 43 LEU MD1 1 56 ALA MB 1.800 . 5.000 4.281 3.258 4.825 . 0 0 "[ . 1 . 2]" 1
603 1 43 LEU MD1 1 73 ILE MG 1.800 . 5.000 2.956 2.660 3.320 . 0 0 "[ . 1 . 2]" 1
604 1 43 LEU MD2 1 73 ILE MD 1.800 . 5.000 3.398 2.501 4.268 . 0 0 "[ . 1 . 2]" 1
605 1 43 LEU MD1 1 110 ALA MB 1.800 . 5.000 4.542 4.236 4.957 . 0 0 "[ . 1 . 2]" 1
606 1 43 LEU MD1 1 113 ALA MB 1.800 . 5.000 2.800 2.205 3.766 . 0 0 "[ . 1 . 2]" 1
607 1 43 LEU MD2 1 114 ILE MG 1.800 . 5.000 4.556 4.241 5.001 0.001 12 0 "[ . 1 . 2]" 1
608 1 43 LEU MD2 1 117 ALA MB 1.800 . 5.000 2.811 2.119 3.786 . 0 0 "[ . 1 . 2]" 1
609 1 43 LEU MD1 1 74 THR MG 1.800 . 5.000 2.745 2.192 3.641 . 0 0 "[ . 1 . 2]" 1
610 1 29 THR MG 1 44 GLN HE21 1.800 . 5.000 3.572 2.659 4.913 . 0 0 "[ . 1 . 2]" 1
611 1 29 THR MG 1 44 GLN HE22 1.800 . 5.000 4.187 2.770 5.006 0.006 11 0 "[ . 1 . 2]" 1
612 1 45 ILE MG 1 56 ALA MB 1.800 . 5.000 2.695 2.277 3.481 . 0 0 "[ . 1 . 2]" 1
613 1 45 ILE MG 1 77 VAL MG1 1.800 . 5.000 3.953 2.899 4.824 . 0 0 "[ . 1 . 2]" 1
614 1 45 ILE MG 1 77 VAL MG2 1.800 . 5.000 3.184 2.299 4.408 . 0 0 "[ . 1 . 2]" 1
615 1 45 ILE MG 1 117 ALA MB 1.800 . 5.000 3.132 2.059 3.500 . 0 0 "[ . 1 . 2]" 1
616 1 45 ILE MD 1 47 VAL MG2 1.800 . 5.000 2.818 1.929 3.567 . 0 0 "[ . 1 . 2]" 1
617 1 45 ILE MD 1 82 LEU MD1 1.800 . 5.000 3.662 2.112 4.734 . 0 0 "[ . 1 . 2]" 1
618 1 45 ILE MD 1 82 LEU MD2 1.800 . 5.000 2.583 2.031 3.323 . 0 0 "[ . 1 . 2]" 1
619 1 45 ILE MD 1 117 ALA MB 1.800 . 5.000 2.423 1.940 3.257 . 0 0 "[ . 1 . 2]" 1
620 1 45 ILE MD 1 118 ILE MG 1.800 . 5.000 4.652 4.065 4.976 . 0 0 "[ . 1 . 2]" 1
621 1 45 ILE MD 1 118 ILE MD 1.800 . 5.000 4.328 3.431 4.978 . 0 0 "[ . 1 . 2]" 1
622 1 47 VAL MG2 1 53 ILE MG 1.800 . 5.000 3.772 2.722 4.622 . 0 0 "[ . 1 . 2]" 1
623 1 47 VAL MG2 1 53 ILE MD 1.800 . 5.000 3.961 2.939 4.855 . 0 0 "[ . 1 . 2]" 1
624 1 47 VAL MG1 1 82 LEU MD1 1.800 . 5.000 2.897 2.249 3.994 . 0 0 "[ . 1 . 2]" 1
625 1 47 VAL MG2 1 82 LEU MD1 1.800 . 5.000 2.601 2.006 3.460 . 0 0 "[ . 1 . 2]" 1
626 1 47 VAL MG2 1 82 LEU MD2 1.800 . 5.000 3.382 2.663 4.026 . 0 0 "[ . 1 . 2]" 1
627 1 47 VAL MG1 1 82 LEU HG 1.800 . 5.000 4.022 3.046 5.005 0.005 6 0 "[ . 1 . 2]" 1
628 1 50 ASN QB 1 52 ILE MD 1.800 . 5.000 3.953 3.095 4.668 . 0 0 "[ . 1 . 2]" 1
629 1 50 ASN QD 1 52 ILE MD 1.800 . 5.000 4.567 3.274 4.998 . 0 0 "[ . 1 . 2]" 1
630 1 52 ILE MD 1 81 SER QB 1.800 . 5.000 2.877 1.934 3.974 . 0 0 "[ . 1 . 2]" 1
631 1 53 ILE QG 1 82 LEU MD1 1.800 . 5.000 4.092 3.319 4.969 . 0 0 "[ . 1 . 2]" 1
632 1 53 ILE QG 1 82 LEU MD2 1.800 . 5.000 3.684 2.670 4.658 . 0 0 "[ . 1 . 2]" 1
633 1 53 ILE MG 1 77 VAL MG2 1.800 . 5.000 3.620 3.054 4.938 . 0 0 "[ . 1 . 2]" 1
634 1 53 ILE MD 1 77 VAL HB 1.800 . 5.000 2.668 2.127 4.721 . 0 0 "[ . 1 . 2]" 1
635 1 53 ILE MD 1 77 VAL MG2 1.800 . 5.000 3.485 2.640 4.237 . 0 0 "[ . 1 . 2]" 1
636 1 56 ALA MB 1 77 VAL MG1 1.800 . 5.000 4.413 2.909 4.973 . 0 0 "[ . 1 . 2]" 1
637 1 56 ALA MB 1 77 VAL MG2 1.800 . 5.000 2.550 1.873 4.671 . 0 0 "[ . 1 . 2]" 1
638 1 56 ALA MB 1 78 LYS QE 1.800 . 5.000 3.828 2.765 4.946 . 0 0 "[ . 1 . 2]" 1
639 1 60 THR MG 1 66 ALA MB 1.800 . 5.000 3.690 2.593 4.863 . 0 0 "[ . 1 . 2]" 1
640 1 60 THR MG 1 67 ILE QG 1.800 . 5.000 4.120 3.114 4.956 . 0 0 "[ . 1 . 2]" 1
641 1 60 THR MG 1 67 ILE MD 1.800 . 5.000 3.855 2.210 5.018 0.018 11 0 "[ . 1 . 2]" 1
642 1 60 THR MG 1 73 ILE MG 1.800 . 5.000 4.938 4.723 5.035 0.035 9 0 "[ . 1 . 2]" 1
643 1 66 ALA MB 1 109 LEU MD2 1.800 . 5.000 4.318 3.553 5.012 0.012 5 0 "[ . 1 . 2]" 1
644 1 69 SER QB 1 93 ILE MG 1.800 . 5.000 3.294 2.421 4.261 . 0 0 "[ . 1 . 2]" 1
645 1 69 SER QB 1 97 LEU QD 1.800 . 5.000 2.825 2.040 3.968 . 0 0 "[ . 1 . 2]" 1
646 1 69 SER QB 1 110 ALA MB 1.800 . 4.000 3.746 3.155 4.027 0.027 11 0 "[ . 1 . 2]" 1
647 1 72 LEU MD2 1 93 ILE MG 1.800 . 5.000 2.325 1.957 2.987 . 0 0 "[ . 1 . 2]" 1
648 1 72 LEU MD2 1 93 ILE MD 1.800 . 5.000 3.622 2.271 4.599 . 0 0 "[ . 1 . 2]" 1
649 1 72 LEU MD1 1 96 GLU QG 1.800 . 5.000 3.803 2.699 4.759 . 0 0 "[ . 1 . 2]" 1
650 1 72 LEU MD2 1 96 GLU QG 1.800 . 5.000 3.223 2.312 4.454 . 0 0 "[ . 1 . 2]" 1
651 1 72 LEU MD1 1 97 LEU QD 1.800 . 5.000 3.117 2.205 4.428 . 0 0 "[ . 1 . 2]" 1
652 1 72 LEU MD2 1 97 LEU MD1 1.800 . 5.000 2.694 1.928 4.587 . 0 0 "[ . 1 . 2]" 1
653 1 72 LEU MD2 1 97 LEU MD2 1.800 . 5.000 3.864 2.374 4.959 . 0 0 "[ . 1 . 2]" 1
654 1 73 ILE QG 1 110 ALA MB 1.800 . 5.000 4.028 3.666 4.464 . 0 0 "[ . 1 . 2]" 1
655 1 73 ILE MG 1 110 ALA MB 1.800 . 5.000 3.004 2.426 3.836 . 0 0 "[ . 1 . 2]" 1
656 1 73 ILE MD 1 74 THR MG 1.800 . 5.000 4.361 3.928 4.966 . 0 0 "[ . 1 . 2]" 1
657 1 73 ILE MD 1 110 ALA MB 1.800 . 5.000 2.214 1.985 2.634 . 0 0 "[ . 1 . 2]" 1
658 1 74 THR MG 1 77 VAL MG2 1.800 . 5.000 3.650 3.216 4.955 . 0 0 "[ . 1 . 2]" 1
659 1 76 TRP HE3 1 88 ILE MG 1.800 . 5.000 3.200 2.072 4.360 . 0 0 "[ . 1 . 2]" 1
660 1 76 TRP HZ3 1 88 ILE MG 1.800 . 5.000 3.187 2.236 4.863 . 0 0 "[ . 1 . 2]" 1
661 1 76 TRP HE3 1 88 ILE MD 1.800 . 5.000 3.943 2.147 4.954 . 0 0 "[ . 1 . 2]" 1
662 1 76 TRP HE3 1 93 ILE MD 1.800 . 5.000 4.461 3.406 5.009 0.009 17 0 "[ . 1 . 2]" 1
663 1 77 VAL HB 1 85 ALA MB 1.800 . 4.000 3.311 2.164 4.010 0.010 2 0 "[ . 1 . 2]" 1
664 1 77 VAL MG1 1 85 ALA MB 1.800 . 5.000 2.411 1.944 3.049 . 0 0 "[ . 1 . 2]" 1
665 1 77 VAL MG2 1 114 ILE MD 1.800 . 5.000 3.105 2.215 4.901 . 0 0 "[ . 1 . 2]" 1
666 1 82 LEU MD2 1 85 ALA MB 1.800 . 5.000 3.066 2.390 3.938 . 0 0 "[ . 1 . 2]" 1
667 1 82 LEU MD2 1 118 ILE MG 1.800 . 5.000 3.360 2.653 4.102 . 0 0 "[ . 1 . 2]" 1
668 1 82 LEU MD2 1 118 ILE MD 1.800 . 5.000 2.877 2.317 3.411 . 0 0 "[ . 1 . 2]" 1
669 1 82 LEU MD1 1 121 TYR QE 1.800 . 5.000 3.098 2.253 4.186 . 0 0 "[ . 1 . 2]" 1
670 1 82 LEU MD1 1 121 TYR QD 1.800 . 5.000 3.462 2.524 4.117 . 0 0 "[ . 1 . 2]" 1
671 1 83 GLU QG 1 87 ALA MB 1.800 . 5.000 3.999 3.448 4.950 . 0 0 "[ . 1 . 2]" 1
672 1 85 ALA MB 1 118 ILE MD 1.800 . 5.000 3.259 2.363 4.804 . 0 0 "[ . 1 . 2]" 1
673 1 87 ALA MB 1 89 LYS QE 1.800 . 5.000 4.615 3.771 5.024 0.024 3 0 "[ . 1 . 2]" 1
674 1 88 ILE HB 1 93 ILE MD 1.800 . 5.000 3.424 2.395 4.409 . 0 0 "[ . 1 . 2]" 1
675 1 88 ILE QG 1 93 ILE MD 1.800 . 5.000 4.161 3.345 5.000 . 0 0 "[ . 1 . 2]" 1
676 1 88 ILE MG 1 93 ILE MD 1.800 . 5.000 3.968 2.681 4.924 . 0 0 "[ . 1 . 2]" 1
677 1 90 ASN QD 1 104 VAL MG1 1.800 . 4.000 3.359 2.454 3.937 . 0 0 "[ . 1 . 2]" 1
678 1 90 ASN QD 1 108 ILE MD 1.800 . 5.000 3.746 2.026 4.874 . 0 0 "[ . 1 . 2]" 1
679 1 91 SER QB 1 94 ALA MB 1.800 . 5.000 4.086 3.482 4.897 . 0 0 "[ . 1 . 2]" 1
680 1 93 ILE MG 1 97 LEU QD 1.800 . 5.000 2.879 2.136 3.862 . 0 0 "[ . 1 . 2]" 1
681 1 93 ILE MG 1 99 LEU QD 1.800 . 5.000 3.703 2.883 4.360 . 0 0 "[ . 1 . 2]" 1
682 1 93 ILE MG 1 107 SER QB 1.800 . 5.000 3.813 2.312 4.820 . 0 0 "[ . 1 . 2]" 1
683 1 93 ILE MG 1 110 ALA MB 1.800 . 5.000 3.376 2.771 4.198 . 0 0 "[ . 1 . 2]" 1
684 1 93 ILE MD 1 110 ALA MB 1.800 . 5.000 2.603 2.026 3.485 . 0 0 "[ . 1 . 2]" 1
685 1 94 ALA MB 1 99 LEU QD 1.800 . 5.000 2.545 2.097 3.097 . 0 0 "[ . 1 . 2]" 1
686 1 94 ALA MB 1 104 VAL MG1 1.800 . 5.000 3.645 2.172 4.988 . 0 0 "[ . 1 . 2]" 1
687 1 94 ALA MB 1 104 VAL MG2 1.800 . 5.000 3.772 2.193 4.977 . 0 0 "[ . 1 . 2]" 1
688 1 94 ALA MB 1 107 SER QB 1.800 . 4.000 2.598 2.095 3.407 . 0 0 "[ . 1 . 2]" 1
689 1 101 PRO QB 1 104 VAL MG1 1.800 . 5.000 4.587 3.596 5.026 0.026 15 0 "[ . 1 . 2]" 1
690 1 104 VAL MG1 1 108 ILE QG 1.800 . 5.000 2.582 2.138 3.184 . 0 0 "[ . 1 . 2]" 1
691 1 104 VAL MG1 1 108 ILE MD 1.800 . 5.000 2.769 2.103 3.999 . 0 0 "[ . 1 . 2]" 1
692 1 114 ILE MG 1 118 ILE MD 1.800 . 5.000 2.573 2.218 3.031 . 0 0 "[ . 1 . 2]" 1
693 1 114 ILE MD 1 117 ALA MB 1.800 . 5.000 3.737 3.120 4.211 . 0 0 "[ . 1 . 2]" 1
694 1 115 LYS QG 1 118 ILE MG 1.800 . 5.000 4.353 3.698 4.851 . 0 0 "[ . 1 . 2]" 1
695 1 26 ASN H 1 26 ASN HD21 1.800 . 5.000 3.779 1.912 4.909 . 0 0 "[ . 1 . 2]" 1
696 1 26 ASN H 1 26 ASN HD22 1.800 . 5.000 4.137 2.611 4.975 . 0 0 "[ . 1 . 2]" 1
697 1 41 MET HA 1 41 MET ME 1.800 . 5.000 4.557 3.934 4.833 . 0 0 "[ . 1 . 2]" 1
698 1 50 ASN H 1 50 ASN HD21 1.800 . 5.000 3.558 1.871 4.744 . 0 0 "[ . 1 . 2]" 1
699 1 50 ASN H 1 50 ASN HD22 1.800 . 5.000 3.974 2.709 4.979 . 0 0 "[ . 1 . 2]" 1
700 1 52 ILE HA 1 52 ILE MD 1.800 . 5.000 2.103 1.965 2.248 . 0 0 "[ . 1 . 2]" 1
701 1 53 ILE HA 1 53 ILE MD 1.800 . 5.000 3.798 3.675 3.898 . 0 0 "[ . 1 . 2]" 1
702 1 67 ILE HA 1 67 ILE MD 1.800 . 5.000 2.880 1.992 3.891 . 0 0 "[ . 1 . 2]" 1
703 1 73 ILE HA 1 73 ILE MD 1.800 . 5.000 3.624 3.300 3.818 . 0 0 "[ . 1 . 2]" 1
704 1 76 TRP HA 1 76 TRP HD1 1.800 . 5.000 2.551 2.194 3.294 . 0 0 "[ . 1 . 2]" 1
705 1 88 ILE HA 1 88 ILE MD 1.800 . 5.000 4.113 4.061 4.133 . 0 0 "[ . 1 . 2]" 1
706 1 114 ILE HA 1 114 ILE MD 1.800 . 5.000 2.274 2.103 2.581 . 0 0 "[ . 1 . 2]" 1
707 1 34 ALA MB 1 35 PRO HD2 1.800 . 5.000 3.616 2.612 3.945 . 0 0 "[ . 1 . 2]" 1
708 1 34 ALA MB 1 35 PRO HD3 1.800 . 5.000 3.899 3.558 4.034 . 0 0 "[ . 1 . 2]" 1
709 1 101 PRO QG 1 102 VAL MG1 1.800 . 5.000 3.977 2.683 5.020 0.020 13 0 "[ . 1 . 2]" 1
710 1 118 ILE MG 1 119 ALA HA 1.800 . 5.000 3.249 2.974 3.725 . 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 78
_Distance_constraint_stats_list.Viol_count 182
_Distance_constraint_stats_list.Viol_total 38.576
_Distance_constraint_stats_list.Viol_max 0.056
_Distance_constraint_stats_list.Viol_rms 0.0046
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0106
_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 26 ASN 0.011 0.011 16 0 "[ . 1 . 2]"
1 28 GLY 0.071 0.019 14 0 "[ . 1 . 2]"
1 30 GLY 0.024 0.013 13 0 "[ . 1 . 2]"
1 32 VAL 0.015 0.008 2 0 "[ . 1 . 2]"
1 34 ALA 0.044 0.017 16 0 "[ . 1 . 2]"
1 39 ASP 0.044 0.017 16 0 "[ . 1 . 2]"
1 41 MET 0.015 0.008 2 0 "[ . 1 . 2]"
1 42 GLN 0.012 0.009 16 0 "[ . 1 . 2]"
1 43 LEU 0.024 0.013 13 0 "[ . 1 . 2]"
1 44 GLN 0.011 0.011 13 0 "[ . 1 . 2]"
1 45 ILE 0.071 0.019 14 0 "[ . 1 . 2]"
1 46 LYS 0.047 0.018 14 0 "[ . 1 . 2]"
1 47 VAL 0.011 0.011 16 0 "[ . 1 . 2]"
1 48 ASP 0.051 0.025 1 0 "[ . 1 . 2]"
1 52 ILE 0.051 0.025 1 0 "[ . 1 . 2]"
1 53 ILE 0.206 0.028 10 0 "[ . 1 . 2]"
1 55 ASP 0.047 0.018 14 0 "[ . 1 . 2]"
1 57 LYS 0.011 0.011 13 0 "[ . 1 . 2]"
1 59 LYS 0.012 0.009 16 0 "[ . 1 . 2]"
1 68 ALA 0.071 0.023 10 0 "[ . 1 . 2]"
1 69 SER 0.035 0.021 4 0 "[ . 1 . 2]"
1 70 SER 0.005 0.005 5 0 "[ . 1 . 2]"
1 71 SER 0.059 0.019 2 0 "[ . 1 . 2]"
1 72 LEU 0.243 0.056 13 0 "[ . 1 . 2]"
1 73 ILE 0.079 0.021 4 0 "[ . 1 . 2]"
1 74 THR 0.005 0.005 5 0 "[ . 1 . 2]"
1 75 GLU 0.059 0.019 2 0 "[ . 1 . 2]"
1 76 TRP 0.173 0.056 13 0 "[ . 1 . 2]"
1 77 VAL 0.044 0.013 11 0 "[ . 1 . 2]"
1 79 GLY 0.151 0.027 7 0 "[ . 1 . 2]"
1 80 LYS 0.055 0.028 10 0 "[ . 1 . 2]"
1 81 SER 0.147 0.030 18 0 "[ . 1 . 2]"
1 82 LEU 0.079 0.015 3 0 "[ . 1 . 2]"
1 85 ALA 0.147 0.030 18 0 "[ . 1 . 2]"
1 86 GLY 0.079 0.015 3 0 "[ . 1 . 2]"
1 90 ASN 0.015 0.007 18 0 "[ . 1 . 2]"
1 91 SER 0.002 0.002 9 0 "[ . 1 . 2]"
1 92 GLN 0.028 0.020 20 0 "[ . 1 . 2]"
1 93 ILE 0.077 0.035 17 0 "[ . 1 . 2]"
1 94 ALA 0.015 0.007 18 0 "[ . 1 . 2]"
1 95 GLU 0.002 0.002 9 0 "[ . 1 . 2]"
1 96 GLU 0.028 0.020 20 0 "[ . 1 . 2]"
1 97 LEU 0.077 0.035 17 0 "[ . 1 . 2]"
1 105 HIS 0.019 0.011 5 0 "[ . 1 . 2]"
1 106 CYS 0.014 0.009 16 0 "[ . 1 . 2]"
1 107 SER 0.144 0.046 5 0 "[ . 1 . 2]"
1 108 ILE 0.034 0.015 17 0 "[ . 1 . 2]"
1 109 LEU 0.117 0.032 2 0 "[ . 1 . 2]"
1 110 ALA 0.117 0.036 9 0 "[ . 1 . 2]"
1 111 GLU 0.190 0.046 5 0 "[ . 1 . 2]"
1 112 ASP 0.087 0.019 10 0 "[ . 1 . 2]"
1 113 ALA 0.109 0.032 2 0 "[ . 1 . 2]"
1 114 ILE 0.140 0.036 9 0 "[ . 1 . 2]"
1 115 LYS 0.073 0.025 9 0 "[ . 1 . 2]"
1 116 ALA 0.067 0.019 10 0 "[ . 1 . 2]"
1 117 ALA 0.059 0.044 5 0 "[ . 1 . 2]"
1 118 ILE 0.037 0.011 11 0 "[ . 1 . 2]"
1 119 ALA 0.081 0.017 6 0 "[ . 1 . 2]"
1 120 ASP 0.014 0.007 14 0 "[ . 1 . 2]"
1 121 TYR 0.048 0.044 5 0 "[ . 1 . 2]"
1 122 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ALA 0.053 0.017 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 32 VAL H 1 41 MET O 1.800 . 2.300 2.126 2.005 2.305 0.005 2 0 "[ . 1 . 2]" 2
2 1 32 VAL N 1 41 MET O 2.800 2.800 3.300 3.025 2.871 3.225 . 0 0 "[ . 1 . 2]" 2
3 1 34 ALA H 1 39 ASP O 1.800 . 2.300 1.999 1.825 2.280 . 0 0 "[ . 1 . 2]" 2
4 1 34 ALA N 1 39 ASP O 2.800 2.800 3.300 2.885 2.783 3.116 0.017 16 0 "[ . 1 . 2]" 2
5 1 32 VAL O 1 41 MET H 1.800 . 2.300 2.068 1.832 2.303 0.003 12 0 "[ . 1 . 2]" 2
6 1 32 VAL O 1 41 MET N 2.800 2.800 3.300 2.971 2.792 3.244 0.008 2 0 "[ . 1 . 2]" 2
7 1 42 GLN H 1 59 LYS O 1.800 . 2.300 2.166 1.874 2.309 0.009 16 0 "[ . 1 . 2]" 2
8 1 42 GLN N 1 59 LYS O 2.800 2.800 3.300 3.079 2.814 3.262 . 0 0 "[ . 1 . 2]" 2
9 1 30 GLY O 1 43 LEU H 1.800 . 2.300 2.082 1.850 2.313 0.013 13 0 "[ . 1 . 2]" 2
10 1 30 GLY O 1 43 LEU N 2.800 2.800 3.300 2.963 2.794 3.177 0.006 11 0 "[ . 1 . 2]" 2
11 1 44 GLN H 1 57 LYS O 1.800 . 2.300 2.141 1.956 2.311 0.011 13 0 "[ . 1 . 2]" 2
12 1 44 GLN N 1 57 LYS O 2.800 2.800 3.300 3.006 2.805 3.240 . 0 0 "[ . 1 . 2]" 2
13 1 28 GLY O 1 45 ILE H 1.800 . 2.300 2.253 2.121 2.319 0.019 14 0 "[ . 1 . 2]" 2
14 1 28 GLY O 1 45 ILE N 2.800 2.800 3.300 3.170 3.018 3.298 . 0 0 "[ . 1 . 2]" 2
15 1 46 LYS H 1 55 ASP O 1.800 . 2.300 2.248 2.062 2.318 0.018 14 0 "[ . 1 . 2]" 2
16 1 46 LYS N 1 55 ASP O 2.800 2.800 3.300 3.111 2.908 3.232 . 0 0 "[ . 1 . 2]" 2
17 1 26 ASN O 1 47 VAL H 1.800 . 2.300 2.143 1.911 2.311 0.011 16 0 "[ . 1 . 2]" 2
18 1 26 ASN O 1 47 VAL N 2.800 2.800 3.300 3.054 2.799 3.260 0.001 3 0 "[ . 1 . 2]" 2
19 1 48 ASP H 1 52 ILE O 1.800 . 2.300 2.183 1.861 2.325 0.025 1 0 "[ . 1 . 2]" 2
20 1 48 ASP N 1 52 ILE O 2.800 2.800 3.300 3.089 2.807 3.273 . 0 0 "[ . 1 . 2]" 2
21 1 53 ILE H 1 80 LYS O 1.800 . 2.300 2.124 1.921 2.324 0.024 16 0 "[ . 1 . 2]" 2
22 1 53 ILE N 1 80 LYS O 2.800 2.800 3.300 3.058 2.772 3.285 0.028 10 0 "[ . 1 . 2]" 2
23 1 68 ALA O 1 72 LEU H 1.800 . 2.300 2.247 2.084 2.323 0.023 10 0 "[ . 1 . 2]" 2
24 1 68 ALA O 1 72 LEU N 2.800 2.800 3.300 3.132 2.834 3.253 . 0 0 "[ . 1 . 2]" 2
25 1 69 SER O 1 73 ILE H 1.800 . 2.300 2.137 1.876 2.321 0.021 4 0 "[ . 1 . 2]" 2
26 1 69 SER O 1 73 ILE N 2.800 2.800 3.300 2.998 2.816 3.189 . 0 0 "[ . 1 . 2]" 2
27 1 70 SER O 1 74 THR H 1.800 . 2.300 2.143 1.902 2.305 0.005 5 0 "[ . 1 . 2]" 2
28 1 70 SER O 1 74 THR N 2.800 2.800 3.300 3.042 2.814 3.234 . 0 0 "[ . 1 . 2]" 2
29 1 71 SER O 1 75 GLU H 1.800 . 2.300 2.260 2.050 2.319 0.019 2 0 "[ . 1 . 2]" 2
30 1 71 SER O 1 75 GLU N 2.800 2.800 3.300 3.092 2.939 3.241 . 0 0 "[ . 1 . 2]" 2
31 1 72 LEU O 1 76 TRP H 1.800 . 2.300 2.187 1.868 2.309 0.009 18 0 "[ . 1 . 2]" 2
32 1 72 LEU O 1 76 TRP N 2.800 2.800 3.300 2.864 2.744 3.064 0.056 13 0 "[ . 1 . 2]" 2
33 1 73 ILE O 1 77 VAL H 1.800 . 2.300 2.169 1.867 2.310 0.010 19 0 "[ . 1 . 2]" 2
34 1 73 ILE O 1 77 VAL N 2.800 2.800 3.300 2.924 2.787 3.186 0.013 11 0 "[ . 1 . 2]" 2
35 1 53 ILE O 1 79 GLY H 1.800 . 2.300 2.253 2.009 2.327 0.027 7 0 "[ . 1 . 2]" 2
36 1 53 ILE O 1 79 GLY N 2.800 2.800 3.300 2.902 2.786 3.083 0.014 16 0 "[ . 1 . 2]" 2
37 1 81 SER O 1 85 ALA H 1.800 . 2.300 2.279 2.002 2.330 0.030 18 0 "[ . 1 . 2]" 2
38 1 81 SER O 1 85 ALA N 2.800 2.800 3.300 3.222 2.963 3.296 . 0 0 "[ . 1 . 2]" 2
39 1 82 LEU O 1 86 GLY H 1.800 . 2.300 2.091 1.902 2.300 0.000 13 0 "[ . 1 . 2]" 2
40 1 82 LEU O 1 86 GLY N 2.800 2.800 3.300 2.850 2.785 3.065 0.015 3 0 "[ . 1 . 2]" 2
41 1 90 ASN O 1 94 ALA H 1.800 . 2.300 2.067 1.832 2.293 . 0 0 "[ . 1 . 2]" 2
42 1 90 ASN O 1 94 ALA N 2.800 2.800 3.300 2.959 2.793 3.206 0.007 18 0 "[ . 1 . 2]" 2
43 1 91 SER O 1 95 GLU H 1.800 . 2.300 2.139 1.862 2.300 0.000 7 0 "[ . 1 . 2]" 2
44 1 91 SER O 1 95 GLU N 2.800 2.800 3.300 2.989 2.798 3.197 0.002 9 0 "[ . 1 . 2]" 2
45 1 92 GLN O 1 96 GLU H 1.800 . 2.300 2.135 1.837 2.320 0.020 20 0 "[ . 1 . 2]" 2
46 1 92 GLN O 1 96 GLU N 2.800 2.800 3.300 2.997 2.793 3.220 0.007 15 0 "[ . 1 . 2]" 2
47 1 93 ILE O 1 97 LEU H 1.800 . 2.300 2.218 1.968 2.335 0.035 17 0 "[ . 1 . 2]" 2
48 1 93 ILE O 1 97 LEU N 2.800 2.800 3.300 3.143 2.809 3.266 . 0 0 "[ . 1 . 2]" 2
49 1 105 HIS O 1 109 LEU H 1.800 . 2.300 2.142 1.939 2.311 0.011 5 0 "[ . 1 . 2]" 2
50 1 105 HIS O 1 109 LEU N 2.800 2.800 3.300 3.029 2.867 3.234 . 0 0 "[ . 1 . 2]" 2
51 1 106 CYS O 1 110 ALA H 1.800 . 2.300 2.140 1.851 2.295 . 0 0 "[ . 1 . 2]" 2
52 1 106 CYS O 1 110 ALA N 2.800 2.800 3.300 3.012 2.791 3.210 0.009 16 0 "[ . 1 . 2]" 2
53 1 107 SER O 1 111 GLU H 1.800 . 2.300 2.259 2.104 2.346 0.046 5 0 "[ . 1 . 2]" 2
54 1 107 SER O 1 111 GLU N 2.800 2.800 3.300 3.183 3.051 3.295 . 0 0 "[ . 1 . 2]" 2
55 1 108 ILE O 1 112 ASP H 1.800 . 2.300 2.005 1.809 2.311 0.011 9 0 "[ . 1 . 2]" 2
56 1 108 ILE O 1 112 ASP N 2.800 2.800 3.300 2.910 2.785 3.202 0.015 17 0 "[ . 1 . 2]" 2
57 1 109 LEU O 1 113 ALA H 1.800 . 2.300 2.155 1.856 2.311 0.011 7 0 "[ . 1 . 2]" 2
58 1 109 LEU O 1 113 ALA N 2.800 2.800 3.300 2.914 2.768 3.132 0.032 2 0 "[ . 1 . 2]" 2
59 1 110 ALA O 1 114 ILE H 1.800 . 2.300 2.247 2.091 2.336 0.036 9 0 "[ . 1 . 2]" 2
60 1 110 ALA O 1 114 ILE N 2.800 2.800 3.300 3.178 3.039 3.304 0.004 9 0 "[ . 1 . 2]" 2
61 1 111 GLU O 1 115 LYS H 1.800 . 2.300 2.203 1.912 2.325 0.025 9 0 "[ . 1 . 2]" 2
62 1 111 GLU O 1 115 LYS N 2.800 2.800 3.300 3.133 2.885 3.253 . 0 0 "[ . 1 . 2]" 2
63 1 112 ASP O 1 116 ALA H 1.800 . 2.300 2.132 1.821 2.319 0.019 10 0 "[ . 1 . 2]" 2
64 1 112 ASP O 1 116 ALA N 2.800 2.800 3.300 3.037 2.787 3.253 0.013 8 0 "[ . 1 . 2]" 2
65 1 113 ALA O 1 117 ALA H 1.800 . 2.300 2.081 1.873 2.311 0.011 9 0 "[ . 1 . 2]" 2
66 1 113 ALA O 1 117 ALA N 2.800 2.800 3.300 3.029 2.833 3.266 . 0 0 "[ . 1 . 2]" 2
67 1 114 ILE O 1 118 ILE H 1.800 . 2.300 2.205 1.977 2.311 0.011 11 0 "[ . 1 . 2]" 2
68 1 114 ILE O 1 118 ILE N 2.800 2.800 3.300 3.136 2.940 3.284 . 0 0 "[ . 1 . 2]" 2
69 1 115 LYS O 1 119 ALA H 1.800 . 2.300 2.120 1.906 2.316 0.016 10 0 "[ . 1 . 2]" 2
70 1 115 LYS O 1 119 ALA N 2.800 2.800 3.300 3.039 2.833 3.246 . 0 0 "[ . 1 . 2]" 2
71 1 116 ALA O 1 120 ASP H 1.800 . 2.300 2.172 1.967 2.307 0.007 14 0 "[ . 1 . 2]" 2
72 1 116 ALA O 1 120 ASP N 2.800 2.800 3.300 3.125 2.938 3.281 . 0 0 "[ . 1 . 2]" 2
73 1 117 ALA O 1 121 TYR H 1.800 . 2.300 2.123 1.855 2.304 0.004 18 0 "[ . 1 . 2]" 2
74 1 117 ALA O 1 121 TYR N 2.800 2.800 3.300 2.975 2.756 3.199 0.044 5 0 "[ . 1 . 2]" 2
75 1 118 ILE O 1 122 LYS H 1.800 . 2.300 2.116 1.871 2.292 . 0 0 "[ . 1 . 2]" 2
76 1 118 ILE O 1 122 LYS N 2.800 2.800 3.300 2.998 2.810 3.248 . 0 0 "[ . 1 . 2]" 2
77 1 119 ALA O 1 123 ALA H 1.800 . 2.300 2.039 1.844 2.249 . 0 0 "[ . 1 . 2]" 2
78 1 119 ALA O 1 123 ALA N 2.800 2.800 3.300 2.904 2.783 3.219 0.017 6 0 "[ . 1 . 2]" 2
stop_
save_
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