NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452722 |
2w84   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2w84
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 922
_Distance_constraint_stats_list.Viol_count 189
_Distance_constraint_stats_list.Viol_total 311.445
_Distance_constraint_stats_list.Viol_max 0.886
_Distance_constraint_stats_list.Viol_rms 0.0359
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.1648
_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 9 GLU 1.021 0.881 1 1 "[+ . 1]"
1 10 ASN 0.000 0.000 . 0 "[ . 1]"
1 11 VAL 1.021 0.881 1 1 "[+ . 1]"
1 12 LEU 0.733 0.408 2 0 "[ . 1]"
1 13 PRO 0.733 0.408 2 0 "[ . 1]"
1 14 ARG 0.000 0.000 . 0 "[ . 1]"
1 15 GLU 0.000 0.000 . 0 "[ . 1]"
1 16 PRO 0.000 0.000 . 0 "[ . 1]"
1 17 LEU 0.000 0.000 . 0 "[ . 1]"
1 18 ILE 0.777 0.661 8 1 "[ . + 1]"
1 19 ALA 1.444 0.649 1 2 "[+ - 1]"
1 20 THR 2.643 0.807 3 1 "[ + . 1]"
1 21 ALA 0.321 0.250 4 0 "[ . 1]"
1 22 VAL 0.646 0.646 4 1 "[ +. 1]"
1 23 LYS 2.003 0.649 1 2 "[+ - 1]"
1 24 PHE 3.398 0.559 5 2 "[ + -1]"
1 25 LEU 3.985 0.764 4 3 "[ +* -1]"
1 26 GLN 0.568 0.546 2 1 "[ + . 1]"
1 27 ASN 0.687 0.345 3 0 "[ . 1]"
1 29 ARG 0.717 0.311 2 0 "[ . 1]"
1 30 VAL 0.192 0.093 3 0 "[ . 1]"
1 31 ARG 0.000 0.000 . 0 "[ . 1]"
1 32 GLN 0.000 0.000 . 0 "[ . 1]"
1 33 SER 3.236 0.635 10 4 "[ -** +]"
1 34 PRO 2.809 0.635 10 4 "[ -** +]"
1 35 LEU 0.000 0.000 . 0 "[ . 1]"
1 36 ALA 0.068 0.068 1 0 "[ . 1]"
1 37 THR 0.825 0.382 3 0 "[ . 1]"
1 38 ARG 0.565 0.443 8 0 "[ . 1]"
1 39 ARG 3.356 0.398 10 0 "[ . 1]"
1 40 ALA 0.000 0.000 . 0 "[ . 1]"
1 41 PHE 0.711 0.103 1 0 "[ . 1]"
1 42 LEU 2.154 0.771 8 1 "[ . + 1]"
1 43 LYS 0.725 0.401 2 0 "[ . 1]"
1 44 LYS 0.391 0.240 3 0 "[ . 1]"
1 45 LYS 1.690 0.771 8 1 "[ . + 1]"
1 46 GLY 0.000 0.000 . 0 "[ . 1]"
1 47 LEU 0.242 0.168 1 0 "[ . 1]"
1 48 THR 0.000 0.000 . 0 "[ . 1]"
1 49 ASP 0.000 0.000 . 0 "[ . 1]"
1 50 GLU 0.000 0.000 . 0 "[ . 1]"
1 51 GLU 0.000 0.000 . 0 "[ . 1]"
1 52 ILE 2.348 0.401 2 0 "[ . 1]"
1 53 ASP 0.295 0.057 3 0 "[ . 1]"
1 54 MET 1.790 0.661 8 1 "[ . + 1]"
1 55 ALA 0.956 0.764 4 1 "[ +. 1]"
1 56 PHE 2.218 0.508 7 1 "[ . + 1]"
1 57 GLN 2.155 0.886 9 1 "[ . +1]"
1 58 GLN 1.518 0.886 9 1 "[ . +1]"
1 59 SER 0.546 0.546 2 1 "[ + . 1]"
1 60 GLY 0.000 0.000 . 0 "[ . 1]"
1 61 THR 1.348 0.508 7 1 "[ . + 1]"
1 62 ALA 0.592 0.403 1 0 "[ . 1]"
1 63 ALA 0.035 0.035 9 0 "[ . 1]"
1 64 ASP 0.076 0.056 9 0 "[ . 1]"
1 65 GLU 0.076 0.056 9 0 "[ . 1]"
2 2 VAL 0.000 0.000 . 0 "[ . 1]"
2 3 ALA 0.000 0.000 . 0 "[ . 1]"
2 4 ASP 1.019 0.122 4 0 "[ . 1]"
2 5 LEU 1.019 0.122 4 0 "[ . 1]"
2 6 ALA 0.000 0.000 . 0 "[ . 1]"
2 7 LEU 0.000 0.000 . 0 "[ . 1]"
2 8 SER 1.901 0.807 3 1 "[ + . 1]"
2 9 GLU 0.001 0.001 1 0 "[ . 1]"
2 10 ASN 0.000 0.000 . 0 "[ . 1]"
2 11 TRP 0.879 0.132 8 0 "[ . 1]"
2 12 ALA 0.000 0.000 . 0 "[ . 1]"
2 13 GLN 0.000 0.000 . 0 "[ . 1]"
2 14 GLU 0.000 0.000 . 0 "[ . 1]"
2 15 PHE 0.609 0.443 8 0 "[ . 1]"
2 16 LEU 1.061 0.311 2 0 "[ . 1]"
2 17 ALA 0.086 0.040 3 0 "[ . 1]"
2 18 ALA 0.000 0.000 . 0 "[ . 1]"
2 19 GLY 0.000 0.000 . 0 "[ . 1]"
2 20 ASP 0.000 0.000 . 0 "[ . 1]"
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 33 SER H 1 34 PRO HD3 3.300 . 4.700 4.953 4.618 5.335 0.635 10 4 "[ -** +]" 1
2 1 34 PRO HB2 1 37 THR H 2.300 . 3.000 2.719 2.464 3.117 0.117 7 0 "[ . 1]" 1
3 1 38 ARG H 1 39 ARG H 2.900 . 3.900 2.645 2.593 2.757 . 0 0 "[ . 1]" 1
4 1 39 ARG H 1 39 ARG HB3 2.500 . 3.300 3.316 2.512 3.628 0.328 3 0 "[ . 1]" 1
5 1 39 ARG H 1 39 ARG HA 2.500 . 3.300 2.809 2.786 2.826 . 0 0 "[ . 1]" 1
6 1 42 LEU H 1 43 LYS H 2.400 . 3.100 2.616 2.540 2.693 . 0 0 "[ . 1]" 1
7 1 42 LEU H 1 42 LEU QD 3.200 . 4.500 2.949 2.050 3.470 . 0 0 "[ . 1]" 1
8 1 48 THR H 1 51 GLU HB3 4.000 . 6.000 3.815 3.442 4.056 . 0 0 "[ . 1]" 1
9 1 47 LEU HB3 1 48 THR H 2.800 . 3.800 2.665 2.311 2.908 . 0 0 "[ . 1]" 1
10 1 52 ILE H 1 54 MET H 2.800 . 3.800 3.872 3.806 3.921 0.121 1 0 "[ . 1]" 1
11 1 56 PHE H 1 57 GLN H 2.600 . 3.400 2.662 2.554 2.780 . 0 0 "[ . 1]" 1
12 1 57 GLN H 1 58 GLN H 2.300 . 3.000 2.664 2.622 2.736 . 0 0 "[ . 1]" 1
13 1 61 THR H 1 62 ALA H 4.100 . 6.000 2.983 2.204 4.027 . 0 0 "[ . 1]" 1
14 1 64 ASP HA 1 65 GLU H 2.000 . 2.500 2.292 2.126 2.556 0.056 9 0 "[ . 1]" 1
15 1 58 GLN H 1 60 GLY H 3.600 . 5.200 3.964 3.824 4.139 . 0 0 "[ . 1]" 1
16 1 38 ARG QB 1 39 ARG H 2.100 . 2.600 2.494 2.383 2.561 . 0 0 "[ . 1]" 1
17 1 49 ASP H 1 50 GLU H 2.900 . 4.000 2.859 2.602 2.963 . 0 0 "[ . 1]" 1
18 1 39 ARG H 1 40 ALA H 2.700 . 3.600 2.737 2.645 2.847 . 0 0 "[ . 1]" 1
19 1 55 ALA H 1 56 PHE H 2.600 . 3.500 2.708 2.646 2.787 . 0 0 "[ . 1]" 1
20 1 22 VAL H 1 23 LYS H 2.600 . 3.500 2.689 2.591 2.822 . 0 0 "[ . 1]" 1
21 1 21 ALA H 1 22 VAL H 2.700 . 3.600 2.749 2.669 2.809 . 0 0 "[ . 1]" 1
22 1 31 ARG H 1 32 GLN H 2.900 . 3.900 2.422 2.281 2.531 . 0 0 "[ . 1]" 1
23 1 19 ALA H 1 20 THR H 6.000 . 6.000 2.648 2.584 2.754 . 0 0 "[ . 1]" 1
24 1 23 LYS H 1 24 PHE H 2.700 . 3.600 2.576 2.509 2.638 . 0 0 "[ . 1]" 1
25 1 52 ILE H 1 53 ASP H 2.700 . 3.600 2.576 2.517 2.681 . 0 0 "[ . 1]" 1
26 1 48 THR HB 1 50 GLU H 3.900 . 5.800 3.349 2.855 4.741 . 0 0 "[ . 1]" 1
27 1 50 GLU H 1 50 GLU HA 3.000 . 4.100 2.811 2.789 2.842 . 0 0 "[ . 1]" 1
28 1 49 ASP HB2 1 50 GLU H 3.400 . 4.900 3.648 2.738 3.852 . 0 0 "[ . 1]" 1
29 1 47 LEU H 1 47 LEU HB3 4.700 . 6.000 3.603 3.567 3.634 . 0 0 "[ . 1]" 1
30 1 25 LEU H 1 25 LEU HG 2.700 . 6.000 2.778 1.796 4.127 . 0 0 "[ . 1]" 1
31 1 30 VAL QG 1 31 ARG H 6.000 . 6.000 3.315 2.578 3.482 . 0 0 "[ . 1]" 1
32 1 60 GLY H 1 61 THR H 3.000 . 4.200 2.332 2.199 2.592 . 0 0 "[ . 1]" 1
33 1 14 ARG H 1 15 GLU H 4.500 . 6.000 4.037 3.810 4.338 . 0 0 "[ . 1]" 1
34 1 37 THR H 1 38 ARG H 2.600 . 3.500 2.592 2.497 2.655 . 0 0 "[ . 1]" 1
35 1 44 LYS H 1 45 LYS H 2.600 . 3.400 2.565 2.495 2.661 . 0 0 "[ . 1]" 1
36 1 62 ALA H 1 63 ALA H 3.500 . 5.000 3.198 1.965 4.610 0.035 9 0 "[ . 1]" 1
37 1 12 LEU H 1 12 LEU HA 2.700 . 3.600 2.907 2.809 2.930 . 0 0 "[ . 1]" 1
38 1 45 LYS H 1 46 GLY H 2.600 . 3.500 2.545 2.470 2.632 . 0 0 "[ . 1]" 1
39 1 10 ASN H 1 11 VAL H 5.300 . 6.000 2.927 2.002 4.213 . 0 0 "[ . 1]" 1
40 1 20 THR H 1 21 ALA H 2.400 . 3.100 2.320 2.245 2.384 . 0 0 "[ . 1]" 1
41 1 32 GLN H 1 33 SER H 2.600 . 3.400 2.701 2.463 2.864 . 0 0 "[ . 1]" 1
42 1 17 LEU H 1 18 ILE H 2.400 . 3.100 2.412 2.350 2.460 . 0 0 "[ . 1]" 1
43 1 18 ILE H 1 19 ALA H 2.300 . 3.000 2.660 2.617 2.714 . 0 0 "[ . 1]" 1
44 1 24 PHE H 1 25 LEU H 2.900 . 3.900 2.806 2.682 2.919 . 0 0 "[ . 1]" 1
45 1 25 LEU H 1 26 GLN H 2.700 . 3.600 2.609 2.531 2.816 . 0 0 "[ . 1]" 1
46 1 35 LEU H 1 35 LEU HG 3.900 . 5.800 3.644 2.097 4.493 . 0 0 "[ . 1]" 1
47 1 36 ALA H 1 37 THR H 3.200 . 4.500 2.819 2.725 2.941 . 0 0 "[ . 1]" 1
48 1 41 PHE H 1 42 LEU H 2.600 . 3.400 2.671 2.555 2.825 . 0 0 "[ . 1]" 1
49 1 43 LYS H 1 44 LYS H 2.400 . 3.100 2.569 2.509 2.656 . 0 0 "[ . 1]" 1
50 1 45 LYS H 1 47 LEU H 3.700 . 5.400 3.635 3.489 3.885 . 0 0 "[ . 1]" 1
51 1 47 LEU H 1 48 THR H 4.900 . 6.000 4.564 4.535 4.582 . 0 0 "[ . 1]" 1
52 1 48 THR H 1 51 GLU H 3.800 . 5.600 3.748 3.298 3.993 . 0 0 "[ . 1]" 1
53 1 48 THR H 1 49 ASP H 4.800 . 6.000 4.584 4.475 4.638 . 0 0 "[ . 1]" 1
54 1 49 ASP H 1 51 GLU H 5.400 . 6.000 4.326 4.150 4.571 . 0 0 "[ . 1]" 1
55 1 50 GLU H 1 51 GLU H 2.400 . 3.100 2.712 2.654 2.772 . 0 0 "[ . 1]" 1
56 1 51 GLU H 1 52 ILE H 2.700 . 3.600 2.628 2.521 2.749 . 0 0 "[ . 1]" 1
57 1 53 ASP H 1 54 MET H 2.100 . 2.600 2.625 2.567 2.657 0.057 3 0 "[ . 1]" 1
58 1 54 MET H 1 55 ALA H 2.600 . 3.400 2.551 2.506 2.608 . 0 0 "[ . 1]" 1
59 1 54 MET HA 1 55 ALA H 2.700 . 3.600 3.514 3.489 3.541 . 0 0 "[ . 1]" 1
60 1 58 GLN H 1 59 SER H 2.200 . 2.800 2.524 2.453 2.639 . 0 0 "[ . 1]" 1
61 1 59 SER H 1 60 GLY H 2.500 . 3.300 2.359 2.229 2.508 . 0 0 "[ . 1]" 1
62 1 19 ALA HA 1 19 ALA MB 2.100 . 6.000 2.129 2.126 2.131 . 0 0 "[ . 1]" 1
63 1 21 ALA HA 1 21 ALA MB 2.200 . 6.000 2.127 2.125 2.132 . 0 0 "[ . 1]" 1
64 1 40 ALA HA 1 40 ALA MB 2.000 . 6.000 2.127 2.125 2.132 . 0 0 "[ . 1]" 1
65 1 55 ALA HA 1 55 ALA MB 2.100 . 6.000 2.129 2.127 2.134 . 0 0 "[ . 1]" 1
66 1 63 ALA HA 1 63 ALA MB 2.200 . 6.000 2.131 2.127 2.137 . 0 0 "[ . 1]" 1
67 1 20 THR HA 1 20 THR MG 2.700 . 6.000 2.323 2.301 2.344 . 0 0 "[ . 1]" 1
68 1 61 THR HB 1 61 THR MG 2.100 . 6.000 2.133 2.130 2.139 . 0 0 "[ . 1]" 1
69 1 37 THR HA 1 37 THR MG 2.500 . 6.000 2.279 2.228 2.328 . 0 0 "[ . 1]" 1
70 1 16 PRO HB2 1 16 PRO HG2 2.400 . 6.000 2.316 2.298 2.331 . 0 0 "[ . 1]" 1
71 1 37 THR HA 1 37 THR HB 2.700 . 6.000 2.929 2.551 3.021 . 0 0 "[ . 1]" 1
72 1 48 THR HA 1 48 THR MG 2.800 . 6.000 2.392 2.221 3.219 . 0 0 "[ . 1]" 1
73 1 48 THR HA 1 48 THR HB 2.700 . 6.000 2.652 2.486 3.016 . 0 0 "[ . 1]" 1
74 1 61 THR HA 1 61 THR MG 2.600 . 6.000 2.269 2.216 2.328 . 0 0 "[ . 1]" 1
75 1 41 PHE HA 1 41 PHE HB3 2.600 . 6.000 3.026 3.021 3.031 . 0 0 "[ . 1]" 1
76 1 56 PHE HA 1 56 PHE HB3 2.600 . 6.000 2.502 2.466 2.570 . 0 0 "[ . 1]" 1
77 1 59 SER HA 1 59 SER HB2 2.400 . 6.000 2.713 2.407 3.029 . 0 0 "[ . 1]" 1
78 1 13 PRO HA 1 13 PRO HG3 4.200 . 6.000 3.408 2.908 4.002 . 0 0 "[ . 1]" 1
79 1 16 PRO HA 1 16 PRO HG3 3.900 . 6.000 3.539 2.905 3.981 . 0 0 "[ . 1]" 1
80 1 16 PRO HA 1 16 PRO HG2 4.100 . 6.000 3.881 3.855 3.904 . 0 0 "[ . 1]" 1
81 1 16 PRO HB2 1 16 PRO HD2 2.700 . 6.000 3.625 2.968 4.067 . 0 0 "[ . 1]" 1
82 1 16 PRO HD2 1 16 PRO HG3 2.700 . 6.000 2.792 2.662 2.982 . 0 0 "[ . 1]" 1
83 1 16 PRO HD3 1 16 PRO HG3 2.300 . 6.000 2.316 2.295 2.332 . 0 0 "[ . 1]" 1
84 1 16 PRO HD2 1 16 PRO HG2 2.400 . 6.000 2.313 2.297 2.330 . 0 0 "[ . 1]" 1
85 1 16 PRO HA 1 16 PRO HD3 4.600 . 6.000 3.429 3.235 3.600 . 0 0 "[ . 1]" 1
86 1 16 PRO HA 1 16 PRO HD2 4.300 . 6.000 4.006 3.928 4.071 . 0 0 "[ . 1]" 1
87 1 16 PRO HD3 1 16 PRO HG2 2.700 . 6.000 2.884 2.709 3.002 . 0 0 "[ . 1]" 1
88 1 34 PRO HA 1 34 PRO HB3 2.800 . 6.000 2.289 2.255 2.317 . 0 0 "[ . 1]" 1
89 1 34 PRO HD3 1 34 PRO HG3 2.200 . 6.000 2.315 2.298 2.327 . 0 0 "[ . 1]" 1
90 1 34 PRO HB3 1 34 PRO HG3 2.200 . 6.000 2.316 2.290 2.331 . 0 0 "[ . 1]" 1
91 1 34 PRO HB3 1 34 PRO HD3 3.400 . 6.000 3.630 2.943 4.061 . 0 0 "[ . 1]" 1
92 1 34 PRO HB2 1 34 PRO HD3 3.800 . 6.000 3.865 3.851 3.884 . 0 0 "[ . 1]" 1
93 1 11 VAL HA 1 11 VAL MG2 2.600 . 6.000 2.782 2.307 3.218 . 0 0 "[ . 1]" 1
94 1 22 VAL HA 1 22 VAL QG 2.700 . 6.000 2.298 2.119 2.363 . 0 0 "[ . 1]" 1
95 1 22 VAL HA 1 22 VAL HB 2.900 . 6.000 2.487 2.393 3.015 . 0 0 "[ . 1]" 1
96 1 22 VAL MG1 1 22 VAL MG2 2.900 . 6.000 2.093 2.086 2.101 . 0 0 "[ . 1]" 1
97 1 22 VAL HB 1 22 VAL QG 2.200 . 6.000 1.892 1.888 1.899 . 0 0 "[ . 1]" 1
98 1 30 VAL MG1 1 30 VAL MG2 2.400 . 6.000 2.087 2.077 2.092 . 0 0 "[ . 1]" 1
99 1 30 VAL HA 1 30 VAL QG 2.600 . 6.000 2.159 2.123 2.372 . 0 0 "[ . 1]" 1
100 1 18 ILE HG13 1 18 ILE MG 3.000 . 6.000 3.115 2.318 3.207 . 0 0 "[ . 1]" 1
101 1 18 ILE HA 1 18 ILE MG 3.000 . 6.000 2.404 2.369 2.448 . 0 0 "[ . 1]" 1
102 1 18 ILE HA 1 18 ILE MD 3.700 . 6.000 3.651 2.002 3.854 . 0 0 "[ . 1]" 1
103 1 18 ILE HG12 1 18 ILE MG 2.800 . 6.000 2.462 2.362 3.201 . 0 0 "[ . 1]" 1
104 1 18 ILE HA 1 18 ILE HG12 2.700 . 6.000 2.599 2.466 3.165 . 0 0 "[ . 1]" 1
105 1 18 ILE HA 1 18 ILE HG13 3.400 . 6.000 3.088 2.988 3.735 . 0 0 "[ . 1]" 1
106 1 18 ILE HB 1 18 ILE HG13 2.800 . 6.000 2.478 2.457 2.495 . 0 0 "[ . 1]" 1
107 1 18 ILE MD 1 18 ILE MG 3.000 . 6.000 1.941 1.907 2.043 . 0 0 "[ . 1]" 1
108 1 54 MET HB2 1 54 MET HG3 2.300 . 6.000 2.422 2.318 2.455 . 0 0 "[ . 1]" 1
109 1 54 MET HA 1 54 MET HB3 2.300 . 6.000 2.871 2.488 3.027 . 0 0 "[ . 1]" 1
110 1 54 MET HA 1 54 MET ME 5.300 . 6.000 3.964 1.845 4.703 . 0 0 "[ . 1]" 1
111 1 17 LEU HA 1 17 LEU HB3 2.800 . 6.000 2.635 2.487 3.017 . 0 0 "[ . 1]" 1
112 1 17 LEU HB3 1 17 LEU MD2 2.400 . 6.000 2.431 2.247 3.197 . 0 0 "[ . 1]" 1
113 1 17 LEU HB3 1 17 LEU MD1 3.300 . 6.000 2.780 2.303 3.208 . 0 0 "[ . 1]" 1
114 1 17 LEU HA 1 17 LEU MD1 3.100 . 6.000 2.939 1.859 3.851 . 0 0 "[ . 1]" 1
115 1 17 LEU HA 1 17 LEU MD2 3.200 . 6.000 2.952 1.904 3.856 . 0 0 "[ . 1]" 1
116 1 17 LEU MD2 1 17 LEU HG 2.300 . 6.000 2.127 2.124 2.130 . 0 0 "[ . 1]" 1
117 1 35 LEU HB3 1 35 LEU QD 3.000 . 6.000 2.188 2.088 2.280 . 0 0 "[ . 1]" 1
118 1 35 LEU HA 1 35 LEU QD 2.600 . 6.000 2.362 1.857 3.400 . 0 0 "[ . 1]" 1
119 1 35 LEU HA 1 35 LEU HB3 2.700 . 6.000 2.731 2.418 3.021 . 0 0 "[ . 1]" 1
120 1 23 LYS HA 1 23 LYS HB3 2.600 . 6.000 2.654 2.424 3.024 . 0 0 "[ . 1]" 1
121 1 23 LYS HB3 1 23 LYS HG2 2.500 . 6.000 2.471 2.284 3.009 . 0 0 "[ . 1]" 1
122 1 23 LYS HA 1 23 LYS HG3 3.700 . 6.000 2.949 2.259 3.766 . 0 0 "[ . 1]" 1
123 1 23 LYS HE3 1 23 LYS HG3 2.800 . 6.000 3.189 2.476 4.220 . 0 0 "[ . 1]" 1
124 1 23 LYS HA 1 23 LYS HG2 3.100 . 6.000 2.927 2.497 3.748 . 0 0 "[ . 1]" 1
125 1 23 LYS HA 1 23 LYS HD3 3.000 . 6.000 4.146 2.360 4.752 . 0 0 "[ . 1]" 1
126 1 23 LYS HD3 1 23 LYS HE3 2.400 . 6.000 2.695 2.436 3.016 . 0 0 "[ . 1]" 1
127 1 23 LYS HE3 1 23 LYS HG2 3.600 . 6.000 3.323 2.607 4.242 . 0 0 "[ . 1]" 1
128 1 23 LYS HA 1 23 LYS HE3 5.400 . 6.000 5.037 2.065 6.264 0.264 4 0 "[ . 1]" 1
129 1 25 LEU HA 1 25 LEU HG 3.300 . 6.000 2.985 2.407 3.697 . 0 0 "[ . 1]" 1
130 1 25 LEU HB2 1 25 LEU MD2 2.500 . 6.000 2.879 2.295 3.208 . 0 0 "[ . 1]" 1
131 1 25 LEU HB2 1 25 LEU MD1 3.200 . 6.000 2.384 2.215 3.180 . 0 0 "[ . 1]" 1
132 1 25 LEU HB3 1 25 LEU MD1 2.700 . 6.000 2.662 2.283 3.206 . 0 0 "[ . 1]" 1
133 1 25 LEU MD1 1 25 LEU MD2 2.300 . 6.000 2.074 2.061 2.083 . 0 0 "[ . 1]" 1
134 1 25 LEU HA 1 25 LEU MD2 2.700 . 6.000 2.695 2.170 3.794 . 0 0 "[ . 1]" 1
135 1 47 LEU HA 1 47 LEU HB3 2.800 . 6.000 2.531 2.478 2.595 . 0 0 "[ . 1]" 1
136 1 47 LEU HA 1 47 LEU HG 2.600 . 6.000 2.869 2.403 3.124 . 0 0 "[ . 1]" 1
137 1 47 LEU HB2 1 47 LEU MD2 2.500 . 6.000 2.980 2.459 3.203 . 0 0 "[ . 1]" 1
138 1 47 LEU MD1 1 47 LEU MD2 2.700 . 6.000 2.083 2.076 2.091 . 0 0 "[ . 1]" 1
139 1 47 LEU MD2 1 47 LEU HG 2.200 . 6.000 2.127 2.122 2.129 . 0 0 "[ . 1]" 1
140 1 47 LEU HA 1 47 LEU MD2 4.100 . 6.000 2.492 1.904 3.737 . 0 0 "[ . 1]" 1
141 1 47 LEU HA 1 47 LEU MD1 2.900 . 6.000 3.543 2.787 3.854 . 0 0 "[ . 1]" 1
142 1 47 LEU HB3 1 47 LEU MD1 3.100 . 6.000 2.619 2.338 3.199 . 0 0 "[ . 1]" 1
143 1 47 LEU HB3 1 47 LEU MD2 3.100 . 6.000 2.335 2.227 2.412 . 0 0 "[ . 1]" 1
144 1 43 LYS HD3 1 43 LYS HE3 2.300 . 6.000 2.748 2.430 3.020 . 0 0 "[ . 1]" 1
145 1 43 LYS HA 1 43 LYS HD3 3.100 . 6.000 4.214 2.095 4.836 . 0 0 "[ . 1]" 1
146 1 43 LYS HD3 1 43 LYS HG2 2.300 . 6.000 2.403 2.344 2.450 . 0 0 "[ . 1]" 1
147 1 43 LYS HB2 1 43 LYS HE3 3.500 . 6.000 3.666 1.944 4.748 . 0 0 "[ . 1]" 1
148 1 43 LYS HA 1 43 LYS HB2 2.300 . 6.000 2.705 2.429 3.030 . 0 0 "[ . 1]" 1
149 1 43 LYS HB2 1 43 LYS HG3 2.200 . 6.000 2.520 2.364 3.009 . 0 0 "[ . 1]" 1
150 1 43 LYS HE3 1 43 LYS HG3 3.200 . 6.000 3.084 2.456 3.703 . 0 0 "[ . 1]" 1
151 1 45 LYS HB3 1 45 LYS HG2 3.000 . 6.000 2.600 2.411 3.010 . 0 0 "[ . 1]" 1
152 1 45 LYS HB3 1 45 LYS HG3 2.800 . 6.000 2.442 2.419 2.458 . 0 0 "[ . 1]" 1
153 1 45 LYS HA 1 45 LYS HD3 2.100 . 6.000 2.043 1.894 2.723 . 0 0 "[ . 1]" 1
154 1 45 LYS HA 1 45 LYS HD2 4.500 . 6.000 3.477 2.888 3.795 . 0 0 "[ . 1]" 1
155 1 45 LYS HB3 1 45 LYS HD2 4.200 . 6.000 3.820 2.486 4.239 . 0 0 "[ . 1]" 1
156 1 45 LYS HA 1 45 LYS HB3 2.800 . 6.000 2.867 2.499 3.029 . 0 0 "[ . 1]" 1
157 1 9 GLU HB3 1 9 GLU HG3 2.200 . 6.000 2.733 2.365 3.011 . 0 0 "[ . 1]" 1
158 1 26 GLN HB3 1 26 GLN HG3 2.300 . 6.000 2.830 2.399 3.011 . 0 0 "[ . 1]" 1
159 1 26 GLN HA 1 26 GLN HB3 2.600 . 6.000 2.513 2.464 2.581 . 0 0 "[ . 1]" 1
160 1 26 GLN HA 1 26 GLN HB2 2.900 . 6.000 3.017 3.000 3.030 . 0 0 "[ . 1]" 1
161 1 26 GLN HA 1 26 GLN HG2 2.600 . 6.000 2.670 2.472 3.137 . 0 0 "[ . 1]" 1
162 1 26 GLN HA 1 26 GLN HG3 4.100 . 6.000 3.201 2.854 3.721 . 0 0 "[ . 1]" 1
163 1 32 GLN HB2 1 32 GLN HG3 2.500 . 6.000 2.541 2.397 3.000 . 0 0 "[ . 1]" 1
164 1 32 GLN HB2 1 32 GLN HG2 2.600 . 6.000 2.854 2.410 3.010 . 0 0 "[ . 1]" 1
165 1 32 GLN HA 1 32 GLN HG2 3.000 . 6.000 3.131 2.527 3.722 . 0 0 "[ . 1]" 1
166 1 32 GLN HA 1 32 GLN HG3 3.800 . 6.000 3.167 2.382 3.808 . 0 0 "[ . 1]" 1
167 1 32 GLN HB3 1 32 GLN HG3 2.600 . 6.000 2.855 2.405 3.010 . 0 0 "[ . 1]" 1
168 1 51 GLU HB3 1 51 GLU HG2 3.000 . 6.000 2.543 2.390 3.008 . 0 0 "[ . 1]" 1
169 1 51 GLU HB2 1 51 GLU HG3 2.900 . 6.000 2.442 2.364 2.494 . 0 0 "[ . 1]" 1
170 1 51 GLU HA 1 51 GLU HG3 3.500 . 6.000 3.212 2.947 3.808 . 0 0 "[ . 1]" 1
171 1 51 GLU HA 1 51 GLU HG2 2.900 . 6.000 2.690 2.506 3.225 . 0 0 "[ . 1]" 1
172 1 53 ASP HA 1 53 ASP HB2 2.700 . 6.000 2.600 2.388 3.006 . 0 0 "[ . 1]" 1
173 1 58 GLN HA 1 58 GLN HG2 2.500 . 6.000 2.946 2.524 3.273 . 0 0 "[ . 1]" 1
174 1 58 GLN HA 1 58 GLN HG3 3.000 . 6.000 3.351 2.504 3.771 . 0 0 "[ . 1]" 1
175 1 58 GLN HB2 1 58 GLN HG3 2.800 . 6.000 2.429 2.375 2.494 . 0 0 "[ . 1]" 1
176 1 58 GLN HB2 1 58 GLN HG2 2.800 . 6.000 2.661 2.366 3.011 . 0 0 "[ . 1]" 1
177 1 58 GLN HB3 1 58 GLN HG3 3.000 . 6.000 2.657 2.363 3.011 . 0 0 "[ . 1]" 1
178 1 58 GLN HB3 1 58 GLN HG2 3.000 . 6.000 2.785 2.426 3.010 . 0 0 "[ . 1]" 1
179 1 14 ARG HA 1 14 ARG HB3 3.000 . 6.000 2.589 2.396 3.019 . 0 0 "[ . 1]" 1
180 1 14 ARG HA 1 14 ARG HD2 3.700 . 6.000 4.011 2.251 4.692 . 0 0 "[ . 1]" 1
181 1 14 ARG HA 1 14 ARG HG3 2.600 . 6.000 3.189 2.717 3.802 . 0 0 "[ . 1]" 1
182 1 14 ARG HB2 1 14 ARG HD2 2.900 . 6.000 3.243 2.515 4.231 . 0 0 "[ . 1]" 1
183 1 14 ARG HB3 1 14 ARG HG3 2.600 . 6.000 2.739 2.374 3.010 . 0 0 "[ . 1]" 1
184 1 58 GLN HA 1 58 GLN HB2 2.500 . 6.000 2.921 2.500 3.025 . 0 0 "[ . 1]" 1
185 1 38 ARG HA 1 38 ARG HG3 4.100 . 6.000 2.856 2.404 3.346 . 0 0 "[ . 1]" 1
186 1 39 ARG HB3 1 39 ARG HD3 3.000 . 6.000 3.079 2.588 3.716 . 0 0 "[ . 1]" 1
187 1 29 ARG QB 1 29 ARG HD2 3.000 . 6.000 2.657 2.282 3.294 . 0 0 "[ . 1]" 1
188 1 39 ARG HA 1 39 ARG HB2 2.900 . 6.000 2.868 2.467 3.031 . 0 0 "[ . 1]" 1
189 1 39 ARG HA 1 39 ARG HG3 3.900 . 6.000 2.960 2.419 3.208 . 0 0 "[ . 1]" 1
190 1 39 ARG HA 1 39 ARG HB3 2.800 . 6.000 2.639 2.453 3.025 . 0 0 "[ . 1]" 1
191 1 39 ARG HB3 1 39 ARG HG3 2.900 . 6.000 3.009 3.005 3.013 . 0 0 "[ . 1]" 1
192 1 42 LEU HB3 1 42 LEU QD 2.700 . 3.800 2.161 2.105 2.402 . 0 0 "[ . 1]" 1
193 1 42 LEU HA 1 42 LEU QD 3.800 . 6.000 1.948 1.770 2.066 . 0 0 "[ . 1]" 1
194 1 31 ARG HD3 1 31 ARG HG3 2.600 . 6.000 2.751 2.407 3.017 . 0 0 "[ . 1]" 1
195 1 31 ARG HA 1 31 ARG HG2 3.300 . 6.000 3.039 2.526 3.329 . 0 0 "[ . 1]" 1
196 1 31 ARG HA 1 31 ARG HG3 3.300 . 6.000 2.640 2.538 2.892 . 0 0 "[ . 1]" 1
197 1 31 ARG HB3 1 31 ARG HD3 2.800 . 6.000 2.856 2.384 3.696 . 0 0 "[ . 1]" 1
198 1 31 ARG HA 1 31 ARG HD3 3.300 . 6.000 4.611 4.303 5.012 . 0 0 "[ . 1]" 1
199 1 31 ARG HB3 1 31 ARG HG2 2.200 . 6.000 2.454 2.401 2.517 . 0 0 "[ . 1]" 1
200 1 44 LYS HA 1 44 LYS HB3 2.200 . 6.000 2.812 2.452 3.030 . 0 0 "[ . 1]" 1
201 1 44 LYS HE3 1 44 LYS HG3 4.100 . 6.000 3.016 2.480 3.706 . 0 0 "[ . 1]" 1
202 1 44 LYS HA 1 44 LYS HG3 2.400 . 6.000 3.054 2.568 3.732 . 0 0 "[ . 1]" 1
203 1 44 LYS HB3 1 44 LYS HD3 2.500 . 6.000 2.937 2.398 3.692 . 0 0 "[ . 1]" 1
204 1 44 LYS HA 1 44 LYS HE3 4.400 . 6.000 5.137 4.235 6.240 0.240 3 0 "[ . 1]" 1
205 1 44 LYS HA 1 44 LYS HD3 3.300 . 6.000 3.879 1.992 4.698 . 0 0 "[ . 1]" 1
206 1 13 PRO HD3 1 13 PRO HG3 2.300 . 6.000 2.313 2.282 2.325 . 0 0 "[ . 1]" 1
207 1 15 GLU HA 1 15 GLU HG3 3.500 . 6.000 3.170 2.722 4.245 . 0 0 "[ . 1]" 1
208 1 56 PHE QE 1 61 THR MG 5.400 . 6.000 5.218 4.987 5.403 . 0 0 "[ . 1]" 1
209 1 56 PHE QD 1 61 THR MG 4.400 . 6.000 4.203 4.031 4.472 . 0 0 "[ . 1]" 1
210 1 41 PHE HA 2 15 PHE QD 4.400 . 6.000 4.814 4.424 5.234 . 0 0 "[ . 1]" 1
211 1 40 ALA MB 1 41 PHE HA 4.300 . 6.000 3.838 3.777 3.883 . 0 0 "[ . 1]" 1
212 1 13 PRO HA 1 18 ILE MD 3.700 . 6.000 3.541 2.778 4.773 . 0 0 "[ . 1]" 1
213 1 13 PRO HA 1 51 GLU HG3 3.600 . 6.000 3.775 3.139 4.400 . 0 0 "[ . 1]" 1
214 1 13 PRO HB3 1 51 GLU HA 3.300 . 6.000 4.411 3.112 5.660 . 0 0 "[ . 1]" 1
215 1 37 THR HA 2 15 PHE QE 3.700 . 6.000 4.422 4.142 4.782 . 0 0 "[ . 1]" 1
216 1 37 THR HB 1 37 THR MG 2.300 . 6.000 2.137 2.135 2.140 . 0 0 "[ . 1]" 1
217 1 17 LEU HA 1 20 THR HB 3.600 . 6.000 3.154 2.930 3.812 . 0 0 "[ . 1]" 1
218 1 22 VAL HA 1 25 LEU MD1 3.700 . 6.000 2.688 1.726 4.880 . 0 0 "[ . 1]" 1
219 1 52 ILE HA 1 55 ALA MB 2.800 . 6.000 2.669 2.451 2.953 . 0 0 "[ . 1]" 1
220 1 37 THR HA 1 40 ALA MB 2.700 . 6.000 2.776 2.546 2.949 . 0 0 "[ . 1]" 1
221 1 18 ILE HA 1 55 ALA MB 3.200 . 6.000 3.525 3.378 3.978 . 0 0 "[ . 1]" 1
222 1 22 VAL HA 1 59 SER HB3 3.300 . 6.000 3.734 2.395 4.703 . 0 0 "[ . 1]" 1
223 1 22 VAL QG 1 59 SER HB3 3.700 . 6.000 3.858 2.826 4.590 . 0 0 "[ . 1]" 1
224 1 22 VAL QG 1 59 SER HB2 3.000 . 6.000 4.056 1.915 4.998 . 0 0 "[ . 1]" 1
225 1 33 SER HB3 2 15 PHE QE 2.800 . 6.000 3.125 2.630 3.683 . 0 0 "[ . 1]" 1
226 1 33 SER HA 1 33 SER HB3 2.200 . 6.000 2.543 2.441 3.038 . 0 0 "[ . 1]" 1
227 1 25 LEU MD1 1 56 PHE HA 3.100 . 6.000 3.140 2.180 4.750 . 0 0 "[ . 1]" 1
228 1 15 GLU HA 1 15 GLU HB3 2.600 . 6.000 2.582 2.288 3.022 . 0 0 "[ . 1]" 1
229 1 24 PHE HA 1 24 PHE QD 2.900 . 6.000 2.646 2.555 2.805 . 0 0 "[ . 1]" 1
230 1 50 GLU HA 1 53 ASP HB2 3.500 . 6.000 3.514 2.887 4.039 . 0 0 "[ . 1]" 1
231 1 22 VAL QG 1 59 SER HA 2.400 . 6.000 3.696 2.663 4.461 . 0 0 "[ . 1]" 1
232 1 57 GLN HA 1 57 GLN HG3 2.900 . 6.000 3.182 2.535 3.784 . 0 0 "[ . 1]" 1
233 1 57 GLN HA 1 62 ALA MB 3.500 . 6.000 3.237 2.099 5.359 . 0 0 "[ . 1]" 1
234 1 18 ILE MD 1 51 GLU HA 3.600 . 6.000 2.838 2.482 3.220 . 0 0 "[ . 1]" 1
235 1 31 ARG HA 1 38 ARG HD3 3.600 . 6.000 4.251 3.123 5.365 . 0 0 "[ . 1]" 1
236 1 29 ARG HA 1 29 ARG QB 2.100 . 6.000 2.347 2.172 2.430 . 0 0 "[ . 1]" 1
237 1 26 GLN HA 1 61 THR MG 5.700 . 6.000 5.394 4.199 6.021 0.021 9 0 "[ . 1]" 1
238 1 19 ALA HA 1 22 VAL HB 3.100 . 6.000 4.560 2.730 5.077 . 0 0 "[ . 1]" 1
239 1 39 ARG HB3 1 40 ALA HA 3.600 . 6.000 4.331 4.123 4.525 . 0 0 "[ . 1]" 1
240 1 40 ALA HA 1 43 LYS HB2 2.700 . 6.000 3.135 2.425 3.869 . 0 0 "[ . 1]" 1
241 1 55 ALA HA 1 58 GLN HB3 3.200 . 6.000 4.315 3.273 4.796 . 0 0 "[ . 1]" 1
242 1 22 VAL QG 1 55 ALA HA 2.600 . 6.000 2.264 1.758 3.767 . 0 0 "[ . 1]" 1
243 1 18 ILE MG 1 55 ALA HA 2.500 . 6.000 2.784 2.544 3.055 . 0 0 "[ . 1]" 1
244 1 12 LEU HA 1 13 PRO HD2 2.700 . 3.600 2.259 1.876 2.550 . 0 0 "[ . 1]" 1
245 1 12 LEU HA 1 13 PRO HD3 3.500 . 5.100 2.205 1.909 2.618 . 0 0 "[ . 1]" 1
246 1 33 SER HA 1 34 PRO HD3 3.000 . 6.000 2.233 1.864 2.644 . 0 0 "[ . 1]" 1
247 1 12 LEU MD2 1 13 PRO HD2 6.000 . 6.000 3.816 1.554 4.719 . 0 0 "[ . 1]" 1
248 1 33 SER HA 1 34 PRO HD2 3.000 . 6.000 2.504 2.122 2.960 . 0 0 "[ . 1]" 1
249 1 12 LEU HB3 1 13 PRO HD3 4.500 . 6.000 4.559 3.674 5.250 . 0 0 "[ . 1]" 1
250 1 12 LEU MD2 1 13 PRO HD3 4.600 . 6.000 4.569 2.733 5.825 . 0 0 "[ . 1]" 1
251 1 30 VAL QG 1 38 ARG HD3 3.000 . 6.000 3.760 2.321 5.258 . 0 0 "[ . 1]" 1
252 1 26 GLN HA 1 31 ARG HD3 5.800 . 6.000 4.630 2.919 5.798 . 0 0 "[ . 1]" 1
253 1 31 ARG HD3 1 61 THR MG 4.800 . 6.000 3.793 3.107 4.473 . 0 0 "[ . 1]" 1
254 1 29 ARG HD2 2 16 LEU MD1 3.400 . 6.000 4.831 2.842 6.007 0.007 7 0 "[ . 1]" 1
255 1 14 ARG HD3 1 14 ARG HG3 2.400 . 6.000 2.674 2.396 3.016 . 0 0 "[ . 1]" 1
256 1 36 ALA HA 1 39 ARG HD3 6.000 . 6.000 3.860 2.630 6.068 0.068 1 0 "[ . 1]" 1
257 1 39 ARG HD3 1 52 ILE MD 6.000 . 6.000 4.580 3.814 6.118 0.118 7 0 "[ . 1]" 1
258 1 35 LEU QD 1 39 ARG HD3 6.000 . 6.000 3.994 2.040 5.397 . 0 0 "[ . 1]" 1
259 1 47 LEU HB3 1 52 ILE MG 4.100 . 6.000 3.685 2.202 5.688 . 0 0 "[ . 1]" 1
260 1 47 LEU HB2 1 52 ILE MG 4.100 . 6.000 3.529 2.240 5.551 . 0 0 "[ . 1]" 1
261 1 42 LEU HB3 1 52 ILE MG 2.700 . 6.000 2.740 2.001 3.882 . 0 0 "[ . 1]" 1
262 1 22 VAL HA 1 25 LEU HB3 4.500 . 6.000 4.316 3.838 4.767 . 0 0 "[ . 1]" 1
263 1 12 LEU HA 1 12 LEU HB3 3.000 . 6.000 2.738 2.390 3.025 . 0 0 "[ . 1]" 1
264 1 45 LYS HB3 1 45 LYS HE3 3.300 . 6.000 4.258 4.140 4.410 . 0 0 "[ . 1]" 1
265 1 42 LEU HB2 1 47 LEU MD2 4.600 . 6.000 5.358 3.650 6.168 0.168 1 0 "[ . 1]" 1
266 1 42 LEU HB2 1 52 ILE MG 3.400 . 6.000 2.477 2.007 3.802 . 0 0 "[ . 1]" 1
267 1 22 VAL HA 1 25 LEU HB2 3.700 . 6.000 2.772 2.338 3.150 . 0 0 "[ . 1]" 1
268 1 41 PHE HB3 2 15 PHE QE 3.500 . 6.000 3.966 3.551 4.557 . 0 0 "[ . 1]" 1
269 1 41 PHE HB3 2 15 PHE QD 3.500 . 6.000 3.583 3.247 4.064 . 0 0 "[ . 1]" 1
270 1 41 PHE HB2 2 15 PHE QD 3.400 . 6.000 2.695 2.254 3.172 . 0 0 "[ . 1]" 1
271 1 21 ALA HA 1 24 PHE HB3 2.800 . 6.000 2.308 1.984 2.472 . 0 0 "[ . 1]" 1
272 1 24 PHE HB3 1 24 PHE QD 2.200 . 6.000 2.277 2.247 2.305 . 0 0 "[ . 1]" 1
273 1 49 ASP HA 1 52 ILE HB 2.800 . 6.000 3.827 2.530 5.085 . 0 0 "[ . 1]" 1
274 1 52 ILE HB 1 52 ILE MD 2.600 . 6.000 2.403 2.365 2.445 . 0 0 "[ . 1]" 1
275 1 18 ILE MD 1 51 GLU HG2 6.000 . 6.000 2.764 2.046 4.415 . 0 0 "[ . 1]" 1
276 1 15 GLU HB3 1 15 GLU HG3 2.300 . 6.000 2.856 2.432 3.010 . 0 0 "[ . 1]" 1
277 1 50 GLU HA 1 50 GLU HG3 2.500 . 6.000 2.857 2.452 4.243 . 0 0 "[ . 1]" 1
278 1 29 ARG HA 1 32 GLN HG3 4.100 . 6.000 3.987 2.584 5.734 . 0 0 "[ . 1]" 1
279 1 29 ARG HA 1 32 GLN HG2 6.000 . 6.000 4.223 1.886 5.612 . 0 0 "[ . 1]" 1
280 1 57 GLN HB3 1 57 GLN HG3 2.300 . 2.900 2.774 2.393 3.012 0.112 3 0 "[ . 1]" 1
281 1 18 ILE MG 1 54 MET HB2 3.600 . 6.000 4.094 2.883 5.082 . 0 0 "[ . 1]" 1
282 1 27 ASN HB3 1 30 VAL HB 2.200 . 6.000 2.583 1.295 4.056 . 0 0 "[ . 1]" 1
283 1 29 ARG QB 1 29 ARG HG2 2.100 . 6.000 2.353 2.302 2.411 . 0 0 "[ . 1]" 1
284 1 29 ARG QB 2 16 LEU MD1 3.200 . 6.000 4.432 3.649 5.304 . 0 0 "[ . 1]" 1
285 1 50 GLU HA 1 50 GLU HB3 2.200 . 6.000 2.735 2.334 3.024 . 0 0 "[ . 1]" 1
286 1 50 GLU HB3 1 50 GLU HG3 2.500 . 6.000 2.935 2.624 3.012 . 0 0 "[ . 1]" 1
287 1 50 GLU HA 1 50 GLU HB2 2.500 . 6.000 2.710 2.469 3.028 . 0 0 "[ . 1]" 1
288 1 22 VAL QG 1 58 GLN HB2 3.000 . 6.000 2.341 1.867 3.343 . 0 0 "[ . 1]" 1
289 1 22 VAL QG 1 58 GLN HB3 3.000 . 6.000 2.493 1.973 3.067 . 0 0 "[ . 1]" 1
290 1 38 ARG HG3 2 15 PHE QE 4.100 . 6.000 3.492 2.938 4.154 . 0 0 "[ . 1]" 1
291 1 19 ALA MB 1 23 LYS HD3 2.300 . 6.000 5.492 3.743 6.649 0.649 1 2 "[+ - 1]" 1
292 1 57 GLN HB3 1 58 GLN HG2 2.300 . 6.000 4.876 3.259 6.886 0.886 9 1 "[ . +1]" 1
293 1 24 PHE QD 1 42 LEU QD 3.200 . 6.000 2.401 2.041 3.326 . 0 0 "[ . 1]" 1
294 1 47 LEU MD2 1 51 GLU HB2 2.500 . 6.000 3.087 2.644 3.329 . 0 0 "[ . 1]" 1
295 1 21 ALA MB 1 42 LEU QD 2.500 . 6.000 1.902 1.451 2.203 . 0 0 "[ . 1]" 1
296 1 42 LEU QD 1 52 ILE MD 3.600 . 6.000 3.673 3.188 3.972 . 0 0 "[ . 1]" 1
297 1 42 LEU QD 1 52 ILE MG 3.200 . 6.000 2.227 1.466 2.990 . 0 0 "[ . 1]" 1
298 1 25 LEU MD2 1 42 LEU QD 2.400 . 6.000 2.655 1.852 3.861 . 0 0 "[ . 1]" 1
299 1 25 LEU MD1 1 42 LEU QD 3.000 . 6.000 2.615 1.929 3.447 . 0 0 "[ . 1]" 1
300 1 47 LEU MD2 1 52 ILE HA 2.900 . 6.000 4.517 2.919 5.687 . 0 0 "[ . 1]" 1
301 1 47 LEU MD2 1 51 GLU HB3 3.500 . 6.000 2.649 2.087 3.027 . 0 0 "[ . 1]" 1
302 1 47 LEU MD1 2 11 TRP HH2 2.200 . 6.000 3.072 2.485 3.634 . 0 0 "[ . 1]" 1
303 1 25 LEU MD1 1 56 PHE QD 3.000 . 6.000 2.945 2.125 4.099 . 0 0 "[ . 1]" 1
304 1 25 LEU MD1 1 56 PHE QE 3.400 . 6.000 3.108 1.965 3.466 . 0 0 "[ . 1]" 1
305 1 35 LEU QD 1 64 ASP HB3 3.800 . 6.000 3.961 2.440 5.703 . 0 0 "[ . 1]" 1
306 1 43 LYS HG3 1 52 ILE MG 2.800 . 6.000 4.515 3.554 6.062 0.062 4 0 "[ . 1]" 1
307 1 19 ALA HA 1 22 VAL QG 3.400 . 6.000 2.139 1.854 2.652 . 0 0 "[ . 1]" 1
308 1 22 VAL QG 1 55 ALA MB 3.000 . 6.000 2.713 2.291 3.827 . 0 0 "[ . 1]" 1
309 1 18 ILE MG 1 22 VAL QG 3.000 . 6.000 2.486 2.018 3.722 . 0 0 "[ . 1]" 1
310 1 35 LEU QD 1 56 PHE QD 3.300 . 6.000 3.067 2.271 3.480 . 0 0 "[ . 1]" 1
311 1 35 LEU QD 1 56 PHE QE 2.500 . 6.000 2.898 2.207 3.455 . 0 0 "[ . 1]" 1
312 1 35 LEU QD 1 56 PHE HZ 2.800 . 6.000 3.600 3.111 4.499 . 0 0 "[ . 1]" 1
313 1 35 LEU QD 1 61 THR HB 2.800 . 6.000 3.919 3.016 5.032 . 0 0 "[ . 1]" 1
314 1 17 LEU MD1 2 11 TRP HZ2 2.300 . 6.000 4.445 2.084 5.944 . 0 0 "[ . 1]" 1
315 1 17 LEU MD1 2 11 TRP HH2 2.100 . 6.000 4.441 2.272 5.809 . 0 0 "[ . 1]" 1
316 1 42 LEU QD 2 11 TRP HE3 4.100 . 6.000 3.232 2.905 3.512 . 0 0 "[ . 1]" 1
317 1 37 THR MG 2 15 PHE QE 2.400 . 6.000 2.636 1.940 4.259 . 0 0 "[ . 1]" 1
318 1 30 VAL QG 2 15 PHE QE 2.500 . 6.000 2.931 2.320 3.209 . 0 0 "[ . 1]" 1
319 1 25 LEU MD2 1 56 PHE HZ 5.600 . 6.000 3.940 3.062 4.493 . 0 0 "[ . 1]" 1
320 1 24 PHE QE 1 30 VAL QG 2.600 . 6.000 2.939 2.534 3.388 . 0 0 "[ . 1]" 1
321 1 30 VAL QG 1 38 ARG HG3 3.900 . 6.000 4.217 3.353 5.330 . 0 0 "[ . 1]" 1
322 1 21 ALA MB 2 11 TRP HZ3 2.700 . 6.000 2.350 2.068 2.553 . 0 0 "[ . 1]" 1
323 1 21 ALA MB 1 47 LEU MD2 2.300 . 6.000 3.495 2.065 4.378 . 0 0 "[ . 1]" 1
324 1 21 ALA MB 1 55 ALA MB 2.200 . 6.000 2.368 2.225 2.610 . 0 0 "[ . 1]" 1
325 1 56 PHE HB2 1 62 ALA MB 3.000 . 6.000 4.186 2.600 6.403 0.403 1 0 "[ . 1]" 1
326 1 55 ALA MB 1 56 PHE QD 3.600 . 6.000 3.772 3.074 4.127 . 0 0 "[ . 1]" 1
327 1 52 ILE MG 1 55 ALA MB 3.300 . 6.000 3.701 3.224 4.266 . 0 0 "[ . 1]" 1
328 1 25 LEU MD2 1 55 ALA MB 4.500 . 6.000 3.416 2.182 4.002 . 0 0 "[ . 1]" 1
329 1 25 LEU MD1 1 55 ALA MB 2.700 . 6.000 2.614 2.003 4.177 . 0 0 "[ . 1]" 1
330 1 16 PRO HA 1 19 ALA MB 2.700 . 6.000 2.977 2.862 3.318 . 0 0 "[ . 1]" 1
331 1 52 ILE MD 1 56 PHE QD 3.100 . 6.000 5.235 4.210 6.021 0.021 1 0 "[ . 1]" 1
332 1 52 ILE MD 1 56 PHE QE 2.700 . 6.000 3.862 2.523 4.840 . 0 0 "[ . 1]" 1
333 1 52 ILE HA 1 52 ILE MD 3.200 . 6.000 4.024 3.846 4.195 . 0 0 "[ . 1]" 1
334 1 18 ILE MG 1 54 MET ME 3.200 . 6.000 3.979 2.702 5.961 . 0 0 "[ . 1]" 1
335 1 18 ILE MG 1 19 ALA HA 4.100 . 6.000 3.494 3.432 3.602 . 0 0 "[ . 1]" 1
336 1 18 ILE MG 1 54 MET HB3 3.300 . 6.000 3.205 2.749 3.695 . 0 0 "[ . 1]" 1
337 1 18 ILE MG 1 55 ALA MB 2.500 . 6.000 2.501 2.176 2.761 . 0 0 "[ . 1]" 1
338 1 18 ILE MD 1 51 GLU HG3 4.500 . 6.000 3.866 3.635 4.257 . 0 0 "[ . 1]" 1
339 1 18 ILE MD 1 54 MET ME 3.400 . 6.000 3.752 3.032 5.336 . 0 0 "[ . 1]" 1
340 1 49 ASP HA 1 52 ILE MG 4.700 . 6.000 3.655 3.000 4.144 . 0 0 "[ . 1]" 1
341 1 39 ARG HA 1 52 ILE MG 3.700 . 6.000 2.914 1.463 4.247 . 0 0 "[ . 1]" 1
342 1 52 ILE HA 1 52 ILE MG 3.000 . 6.000 2.379 2.337 2.430 . 0 0 "[ . 1]" 1
343 1 39 ARG HG3 1 52 ILE MG 3.900 . 6.000 4.306 1.925 6.398 0.398 10 0 "[ . 1]" 1
344 1 42 LEU HG 1 52 ILE MG 3.700 . 6.000 3.451 2.243 4.318 . 0 0 "[ . 1]" 1
345 1 12 LEU HB3 1 13 PRO HD2 5.700 . 6.000 3.864 2.688 4.737 . 0 0 "[ . 1]" 1
346 1 12 LEU HB2 1 13 PRO HD2 6.000 . 6.000 4.143 2.536 4.887 . 0 0 "[ . 1]" 1
347 1 12 LEU HB2 1 13 PRO HD3 4.300 . 6.000 4.683 4.007 5.116 . 0 0 "[ . 1]" 1
348 1 52 ILE MD 1 52 ILE MG 2.300 . 6.000 1.930 1.857 1.986 . 0 0 "[ . 1]" 1
349 1 30 VAL QG 1 38 ARG HD2 3.600 . 6.000 3.837 3.021 4.703 . 0 0 "[ . 1]" 1
350 1 25 LEU HA 1 30 VAL QG 3.100 . 6.000 2.427 2.097 2.779 . 0 0 "[ . 1]" 1
351 1 22 VAL QG 1 26 GLN HG3 3.400 . 6.000 3.858 2.638 4.662 . 0 0 "[ . 1]" 1
352 1 22 VAL QG 1 26 GLN HG2 4.200 . 6.000 4.523 2.919 5.230 . 0 0 "[ . 1]" 1
353 1 47 LEU MD2 1 51 GLU HG2 4.800 . 6.000 4.356 3.788 5.118 . 0 0 "[ . 1]" 1
354 1 39 ARG HA 1 52 ILE MD 3.100 . 6.000 2.865 1.996 3.595 . 0 0 "[ . 1]" 1
355 1 25 LEU MD1 1 59 SER HB3 3.100 . 6.000 3.376 2.457 4.989 . 0 0 "[ . 1]" 1
356 1 25 LEU MD1 1 59 SER HB2 3.400 . 6.000 3.663 2.453 4.913 . 0 0 "[ . 1]" 1
357 1 43 LYS HE3 1 52 ILE MG 3.500 . 6.000 4.868 3.210 6.401 0.401 2 0 "[ . 1]" 1
358 1 42 LEU QD 1 56 PHE QD 2.800 . 6.000 4.051 3.560 4.948 . 0 0 "[ . 1]" 1
359 1 56 PHE HA 1 56 PHE QD 2.500 . 6.000 2.309 1.884 3.001 . 0 0 "[ . 1]" 1
360 1 21 ALA HA 1 24 PHE QD 4.100 . 6.000 3.324 3.025 3.670 . 0 0 "[ . 1]" 1
361 1 38 ARG HD2 1 56 PHE QD 4.800 . 6.000 4.567 2.704 5.954 . 0 0 "[ . 1]" 1
362 1 38 ARG HD3 1 56 PHE QD 3.900 . 6.000 5.228 3.947 6.024 0.024 2 0 "[ . 1]" 1
363 1 39 ARG HD3 1 56 PHE HZ 5.800 . 6.000 5.056 4.364 5.696 . 0 0 "[ . 1]" 1
364 1 39 ARG HD3 1 56 PHE QE 5.500 . 6.000 4.236 3.052 4.920 . 0 0 "[ . 1]" 1
365 1 56 PHE QD 1 61 THR HB 3.700 . 6.000 3.914 3.267 4.587 . 0 0 "[ . 1]" 1
366 1 21 ALA MB 1 56 PHE QE 4.400 . 6.000 5.760 5.230 6.039 0.039 1 0 "[ . 1]" 1
367 1 52 ILE MG 1 56 PHE QE 4.000 . 6.000 3.272 1.665 4.413 . 0 0 "[ . 1]" 1
368 1 52 ILE MG 1 56 PHE QD 4.600 . 6.000 4.304 2.881 5.397 . 0 0 "[ . 1]" 1
369 1 13 PRO HA 1 51 GLU HG2 5.000 . 6.000 3.101 2.089 4.756 . 0 0 "[ . 1]" 1
370 1 38 ARG QB 1 56 PHE HZ 3.100 . 6.000 2.454 1.764 3.464 . 0 0 "[ . 1]" 1
371 1 38 ARG QB 1 56 PHE QD 5.300 . 6.000 4.302 3.831 4.830 . 0 0 "[ . 1]" 1
372 1 38 ARG QB 1 56 PHE QE 4.600 . 6.000 2.332 1.720 3.148 . 0 0 "[ . 1]" 1
373 1 38 ARG HD3 1 56 PHE HZ 6.000 . 6.000 5.341 4.363 6.023 0.023 10 0 "[ . 1]" 1
374 1 25 LEU HB3 1 56 PHE QE 5.400 . 6.000 5.008 4.373 5.661 . 0 0 "[ . 1]" 1
375 1 25 LEU HB2 1 56 PHE QE 5.600 . 6.000 5.818 5.571 6.005 0.005 9 0 "[ . 1]" 1
376 1 39 ARG HB3 1 56 PHE HZ 4.000 . 6.000 4.309 3.516 4.886 . 0 0 "[ . 1]" 1
377 1 47 LEU MD1 2 11 TRP HZ3 3.200 . 6.000 3.685 3.184 4.859 . 0 0 "[ . 1]" 1
378 1 47 LEU MD1 2 11 TRP HZ2 3.300 . 6.000 4.862 4.410 5.480 . 0 0 "[ . 1]" 1
379 1 21 ALA MB 2 11 TRP HH2 4.000 . 6.000 2.981 2.900 3.243 . 0 0 "[ . 1]" 1
380 1 21 ALA MB 2 11 TRP HE3 4.600 . 6.000 4.217 3.903 4.426 . 0 0 "[ . 1]" 1
381 1 30 VAL QG 2 15 PHE QD 3.500 . 6.000 2.579 2.217 3.185 . 0 0 "[ . 1]" 1
382 1 24 PHE QD 1 30 VAL QG 4.500 . 6.000 3.329 2.990 3.834 . 0 0 "[ . 1]" 1
383 1 41 PHE HB2 2 15 PHE QE 2.900 . 6.000 3.234 2.835 3.631 . 0 0 "[ . 1]" 1
384 1 29 ARG QB 1 29 ARG HD3 2.300 . 6.000 2.670 2.332 3.289 . 0 0 "[ . 1]" 1
385 1 50 GLU HA 1 53 ASP HB3 2.900 . 6.000 3.321 2.722 4.589 . 0 0 "[ . 1]" 1
386 1 57 GLN HA 1 58 GLN HB2 2.900 . 6.000 5.819 5.607 5.945 . 0 0 "[ . 1]" 1
387 1 25 LEU MD2 1 38 ARG QB 5.600 . 6.000 3.095 2.172 4.286 . 0 0 "[ . 1]" 1
388 1 27 ASN HA 1 27 ASN HB3 2.600 . 6.000 2.896 2.574 3.035 . 0 0 "[ . 1]" 1
389 1 26 GLN HG3 1 59 SER HB2 3.700 . 6.000 3.981 2.541 5.200 . 0 0 "[ . 1]" 1
390 1 26 GLN HG2 1 59 SER HB2 3.700 . 6.000 3.983 3.058 5.432 . 0 0 "[ . 1]" 1
391 1 22 VAL QG 1 58 GLN HG2 4.900 . 6.000 3.716 3.000 4.330 . 0 0 "[ . 1]" 1
392 1 22 VAL HA 1 59 SER HB2 3.200 . 6.000 4.126 2.921 5.011 . 0 0 "[ . 1]" 1
393 1 42 LEU QD 1 52 ILE HA 3.400 . 6.000 2.653 2.226 3.990 . 0 0 "[ . 1]" 1
394 1 26 GLN HG3 1 59 SER HB3 4.100 . 6.000 3.610 2.480 6.546 0.546 2 1 "[ + . 1]" 1
395 1 33 SER HA 1 33 SER HB2 2.500 . 6.000 2.973 2.467 3.036 . 0 0 "[ . 1]" 1
396 1 42 LEU QD 1 47 LEU HB3 4.200 . 6.000 4.283 3.800 4.683 . 0 0 "[ . 1]" 1
397 1 38 ARG HA 2 15 PHE QE 2.600 . 6.000 2.572 2.216 3.141 . 0 0 "[ . 1]" 1
398 1 24 PHE HA 1 27 ASN HB3 4.500 . 6.000 5.416 4.606 6.345 0.345 3 0 "[ . 1]" 1
399 1 39 ARG HA 1 42 LEU HB3 4.500 . 6.000 4.726 3.144 5.019 . 0 0 "[ . 1]" 1
400 1 22 VAL QG 1 23 LYS HB3 3.600 . 6.000 4.299 3.869 4.847 . 0 0 "[ . 1]" 1
401 1 56 PHE HB2 1 61 THR HB 4.800 . 6.000 5.844 5.318 6.508 0.508 7 1 "[ . + 1]" 1
402 1 25 LEU HB3 1 59 SER HB3 5.300 . 6.000 3.389 2.400 3.963 . 0 0 "[ . 1]" 1
403 1 25 LEU HB3 1 59 SER HB2 5.500 . 6.000 3.421 2.535 4.008 . 0 0 "[ . 1]" 1
404 1 25 LEU HB2 1 59 SER HB2 4.000 . 6.000 3.173 2.629 3.846 . 0 0 "[ . 1]" 1
405 1 56 PHE HA 1 59 SER HB2 2.100 . 6.000 3.715 2.536 4.696 . 0 0 "[ . 1]" 1
406 1 12 LEU MD2 1 13 PRO HG2 4.500 . 6.000 5.278 3.518 6.408 0.408 2 0 "[ . 1]" 1
407 1 27 ASN HB3 2 12 ALA MB 3.700 . 6.000 4.311 3.566 5.866 . 0 0 "[ . 1]" 1
408 1 27 ASN HB3 1 30 VAL QG 3.200 . 6.000 2.376 1.594 2.667 . 0 0 "[ . 1]" 1
409 1 50 GLU HB2 1 50 GLU HG3 2.500 . 6.000 2.481 2.264 2.964 . 0 0 "[ . 1]" 1
410 1 50 GLU HA 1 54 MET HB2 3.500 . 6.000 5.325 4.751 5.989 . 0 0 "[ . 1]" 1
411 1 39 ARG HA 1 56 PHE QE 3.400 . 6.000 3.058 2.397 4.147 . 0 0 "[ . 1]" 1
412 1 39 ARG HA 1 56 PHE HZ 3.100 . 6.000 2.587 1.827 3.427 . 0 0 "[ . 1]" 1
413 1 38 ARG HG2 2 15 PHE QD 3.900 . 6.000 4.883 4.062 6.443 0.443 8 0 "[ . 1]" 1
414 1 47 LEU MD2 2 11 TRP HZ3 3.900 . 6.000 5.112 3.917 5.747 . 0 0 "[ . 1]" 1
415 1 47 LEU MD2 2 11 TRP HH2 4.100 . 6.000 4.148 3.797 4.703 . 0 0 "[ . 1]" 1
416 1 29 ARG HD3 2 16 LEU MD2 2.900 . 6.000 4.411 2.501 5.507 . 0 0 "[ . 1]" 1
417 1 29 ARG QB 2 16 LEU MD2 3.000 . 6.000 3.629 2.862 4.518 . 0 0 "[ . 1]" 1
418 1 33 SER HB3 1 34 PRO HD2 2.500 . 6.000 2.414 1.942 4.082 . 0 0 "[ . 1]" 1
419 1 33 SER HB2 1 34 PRO HD2 3.600 . 6.000 3.774 3.560 4.075 . 0 0 "[ . 1]" 1
420 1 42 LEU HA 1 45 LYS HB3 3.500 . 6.000 2.987 2.146 4.256 . 0 0 "[ . 1]" 1
421 1 52 ILE MG 1 53 ASP HA 6.000 . 6.000 4.494 3.389 5.532 . 0 0 "[ . 1]" 1
422 1 17 LEU HB3 2 11 TRP HH2 3.500 . 6.000 3.955 2.777 5.936 . 0 0 "[ . 1]" 1
423 1 45 LYS HB3 2 11 TRP HH2 4.700 . 6.000 4.212 2.646 5.202 . 0 0 "[ . 1]" 1
424 1 45 LYS HB3 2 11 TRP HZ2 3.500 . 6.000 5.093 3.636 5.835 . 0 0 "[ . 1]" 1
425 1 29 ARG QB 2 15 PHE QE 3.800 . 6.000 5.254 4.402 5.747 . 0 0 "[ . 1]" 1
426 1 30 VAL QG 1 38 ARG QB 5.100 . 6.000 4.531 4.169 4.917 . 0 0 "[ . 1]" 1
427 1 41 PHE HA 2 15 PHE QE 4.500 . 6.000 5.599 5.191 6.012 0.012 7 0 "[ . 1]" 1
428 1 20 THR HA 2 11 TRP HZ2 6.000 . 6.000 6.082 6.058 6.132 0.132 8 0 "[ . 1]" 1
429 1 21 ALA MB 1 24 PHE QD 4.800 . 6.000 3.725 3.355 4.014 . 0 0 "[ . 1]" 1
430 1 45 LYS HE3 1 45 LYS HG3 4.000 . 6.000 3.499 2.521 3.790 . 0 0 "[ . 1]" 1
431 1 45 LYS HE3 1 45 LYS HG2 3.300 . 6.000 2.682 2.479 3.148 . 0 0 "[ . 1]" 1
432 1 41 PHE QE 1 45 LYS HE2 4.000 . 6.000 3.383 2.654 4.816 . 0 0 "[ . 1]" 1
433 1 41 PHE HZ 1 45 LYS HE2 3.900 . 5.800 3.899 3.159 5.630 . 0 0 "[ . 1]" 1
434 1 20 THR MG 2 11 TRP HZ3 4.300 . 6.000 3.976 3.706 4.203 . 0 0 "[ . 1]" 1
435 1 24 PHE QD 1 25 LEU HG 3.300 . 6.000 3.376 2.420 4.902 . 0 0 "[ . 1]" 1
436 1 17 LEU MD2 2 11 TRP HH2 3.000 . 6.000 4.146 2.792 5.297 . 0 0 "[ . 1]" 1
437 1 17 LEU MD2 2 11 TRP HZ2 3.200 . 6.000 4.165 2.222 5.209 . 0 0 "[ . 1]" 1
438 1 24 PHE QE 1 25 LEU HG 4.500 . 6.000 4.675 4.067 5.974 . 0 0 "[ . 1]" 1
439 1 25 LEU MD2 1 56 PHE QE 3.800 . 6.000 2.539 1.969 3.131 . 0 0 "[ . 1]" 1
440 1 24 PHE QD 1 25 LEU MD2 2.900 . 6.000 3.047 2.155 4.499 . 0 0 "[ . 1]" 1
441 1 24 PHE QE 1 25 LEU MD2 3.200 . 6.000 3.523 2.671 5.213 . 0 0 "[ . 1]" 1
442 1 25 LEU MD2 1 30 VAL QG 3.100 . 6.000 3.526 2.542 4.674 . 0 0 "[ . 1]" 1
443 1 52 ILE MD 1 56 PHE HZ 5.300 . 6.000 4.740 3.749 5.558 . 0 0 "[ . 1]" 1
444 1 33 SER HB2 1 37 THR MG 5.300 . 6.000 5.594 5.065 6.382 0.382 3 0 "[ . 1]" 1
445 1 54 MET HA 1 54 MET HG2 3.400 . 6.000 2.982 2.445 3.202 . 0 0 "[ . 1]" 1
446 1 42 LEU HA 1 45 LYS HB2 4.000 . 6.000 2.617 2.415 2.940 . 0 0 "[ . 1]" 1
447 1 55 ALA HA 1 58 GLN HB2 4.600 . 6.000 3.150 2.739 4.206 . 0 0 "[ . 1]" 1
448 1 20 THR MG 2 11 TRP HE3 5.000 . 6.000 3.864 3.724 4.106 . 0 0 "[ . 1]" 1
449 1 20 THR MG 2 11 TRP HH2 6.000 . 6.000 3.709 3.194 4.105 . 0 0 "[ . 1]" 1
450 1 20 THR MG 2 11 TRP HZ2 4.600 . 6.000 3.065 2.806 3.318 . 0 0 "[ . 1]" 1
451 1 20 THR MG 2 7 LEU QD 3.000 . 6.000 2.288 1.851 2.811 . 0 0 "[ . 1]" 1
452 1 56 PHE HA 1 59 SER HB3 3.100 . 6.000 3.983 2.624 4.678 . 0 0 "[ . 1]" 1
453 1 18 ILE HA 1 21 ALA MB 2.600 . 6.000 2.326 2.171 2.484 . 0 0 "[ . 1]" 1
454 1 11 VAL MG2 1 13 PRO HD3 4.600 . 6.000 4.663 4.065 5.869 . 0 0 "[ . 1]" 1
455 1 12 LEU HA 1 12 LEU MD2 3.300 . 6.000 3.148 1.937 4.053 . 0 0 "[ . 1]" 1
456 1 43 LYS HD3 1 43 LYS HG3 2.500 . 6.000 2.814 2.492 3.017 . 0 0 "[ . 1]" 1
457 1 18 ILE HG12 1 54 MET HB2 4.900 . 6.000 5.559 4.271 6.661 0.661 8 1 "[ . + 1]" 1
458 1 9 GLU HB3 1 11 VAL MG2 3.500 . 6.000 5.012 3.527 6.881 0.881 1 1 "[+ . 1]" 1
459 1 17 LEU MD1 1 47 LEU MD2 3.100 . 6.000 3.545 2.125 5.234 . 0 0 "[ . 1]" 1
460 1 42 LEU QD 2 11 TRP HZ3 . . 3.000 2.246 1.906 2.506 . 0 0 "[ . 1]" 1
461 1 42 LEU QD 2 11 TRP HH2 5.600 . 6.000 3.606 3.166 3.938 . 0 0 "[ . 1]" 1
462 1 30 VAL QG 2 12 ALA HA 3.600 . 6.000 3.168 2.750 3.906 . 0 0 "[ . 1]" 1
463 1 43 LYS HB2 1 52 ILE MG 3.100 . 6.000 4.214 2.557 6.005 0.005 3 0 "[ . 1]" 1
464 1 30 VAL QG 2 12 ALA MB 3.400 . 6.000 2.752 2.221 3.754 . 0 0 "[ . 1]" 1
465 1 20 THR MG 2 8 SER HA 3.600 . 6.000 3.277 2.731 4.305 . 0 0 "[ . 1]" 1
466 1 35 LEU QD 1 64 ASP HB2 4.300 . 6.000 3.809 2.106 5.807 . 0 0 "[ . 1]" 1
467 1 22 VAL QG 1 23 LYS HA 4.200 . 6.000 3.085 3.001 3.167 . 0 0 "[ . 1]" 1
468 1 24 PHE HZ 2 15 PHE QD 2.900 . 6.000 2.530 2.157 2.831 . 0 0 "[ . 1]" 1
469 1 41 PHE QE 2 15 PHE QD 3.900 . 6.000 3.844 3.528 4.383 . 0 0 "[ . 1]" 1
470 1 24 PHE QD 2 11 TRP HZ3 3.800 . 6.000 3.837 3.574 4.320 . 0 0 "[ . 1]" 1
471 1 24 PHE QD 2 11 TRP HB3 2.100 . 6.000 2.474 2.253 2.736 . 0 0 "[ . 1]" 1
472 1 24 PHE QD 2 11 TRP HB2 2.500 . 6.000 2.629 2.413 2.923 . 0 0 "[ . 1]" 1
473 2 15 PHE QD 2 16 LEU MD2 2.500 . 6.000 2.371 2.095 2.527 . 0 0 "[ . 1]" 1
474 2 15 PHE QE 2 16 LEU MD2 2.800 . 6.000 3.259 3.065 3.446 . 0 0 "[ . 1]" 1
475 1 24 PHE QE 2 15 PHE QD 3.200 . 6.000 3.525 3.367 3.619 . 0 0 "[ . 1]" 1
476 2 15 PHE HA 2 15 PHE QD 2.600 . 6.000 2.701 2.545 2.786 . 0 0 "[ . 1]" 1
477 1 24 PHE QE 2 15 PHE HB3 3.000 . 6.000 2.709 2.504 3.037 . 0 0 "[ . 1]" 1
478 1 24 PHE QE 1 41 PHE HA 2.900 . 6.000 5.919 5.788 6.074 0.074 2 0 "[ . 1]" 1
479 1 24 PHE QD 2 12 ALA HA 2.700 . 6.000 3.196 2.655 3.914 . 0 0 "[ . 1]" 1
480 1 41 PHE HZ 1 45 LYS HG2 5.600 . 6.000 5.641 5.248 6.005 0.005 5 0 "[ . 1]" 1
481 1 24 PHE QD 2 12 ALA MB 2.700 . 6.000 3.155 2.821 3.774 . 0 0 "[ . 1]" 1
482 1 56 PHE HB2 1 56 PHE QD 2.400 . 6.000 2.318 2.261 2.518 . 0 0 "[ . 1]" 1
483 1 24 PHE QE 2 15 PHE HB2 2.300 . 6.000 2.417 2.094 2.884 . 0 0 "[ . 1]" 1
484 1 24 PHE QD 1 25 LEU MD1 3.200 . 6.000 3.378 1.759 4.306 . 0 0 "[ . 1]" 1
485 2 7 LEU QD 2 11 TRP HZ2 2.400 . 6.000 3.709 2.972 4.464 . 0 0 "[ . 1]" 1
486 1 25 LEU MD2 1 56 PHE QD 2.900 . 6.000 2.905 1.628 3.886 . 0 0 "[ . 1]" 1
487 1 56 PHE HA 1 56 PHE QE 4.800 . 6.000 4.393 4.233 4.555 . 0 0 "[ . 1]" 1
488 1 45 LYS HD2 1 45 LYS HG2 3.000 . 6.000 2.576 2.427 3.016 . 0 0 "[ . 1]" 1
489 1 45 LYS HE2 1 45 LYS HG2 2.600 . 6.000 2.849 2.438 3.061 . 0 0 "[ . 1]" 1
490 1 45 LYS HA 1 45 LYS HG2 3.300 . 6.000 3.512 3.012 3.753 . 0 0 "[ . 1]" 1
491 1 45 LYS HD2 1 45 LYS HG3 2.500 . 6.000 2.428 2.317 2.463 . 0 0 "[ . 1]" 1
492 1 45 LYS HD3 1 45 LYS HG3 2.700 . 6.000 2.577 2.429 3.019 . 0 0 "[ . 1]" 1
493 1 45 LYS HB2 1 45 LYS HG2 2.400 . 6.000 2.436 2.410 2.472 . 0 0 "[ . 1]" 1
494 1 45 LYS HE2 1 45 LYS HG3 2.900 . 6.000 3.547 2.963 3.730 . 0 0 "[ . 1]" 1
495 1 24 PHE HZ 1 41 PHE HB3 4.300 . 6.000 3.922 3.676 4.336 . 0 0 "[ . 1]" 1
496 1 24 PHE HZ 1 41 PHE HB2 3.900 . 6.000 4.142 4.074 4.298 . 0 0 "[ . 1]" 1
497 1 42 LEU HB3 1 42 LEU HG 2.900 . 3.900 2.898 2.355 3.022 . 0 0 "[ . 1]" 1
498 1 43 LYS HA 1 43 LYS HE3 4.800 . 6.000 4.941 3.664 6.130 0.130 3 0 "[ . 1]" 1
499 1 14 ARG HA 1 14 ARG HD3 3.900 . 6.000 3.615 2.017 4.716 . 0 0 "[ . 1]" 1
500 1 39 ARG HA 1 39 ARG HD3 5.100 . 6.000 4.660 4.213 4.913 . 0 0 "[ . 1]" 1
501 1 39 ARG HA 1 39 ARG HD2 5.100 . 6.000 4.653 4.251 4.916 . 0 0 "[ . 1]" 1
502 1 35 LEU QD 1 39 ARG HD2 4.000 . 6.000 3.596 2.648 4.876 . 0 0 "[ . 1]" 1
503 1 39 ARG HB2 1 39 ARG HD3 2.800 . 6.000 2.895 2.317 3.742 . 0 0 "[ . 1]" 1
504 1 39 ARG HD2 1 39 ARG HG3 2.700 . 6.000 2.565 2.314 3.017 . 0 0 "[ . 1]" 1
505 1 39 ARG HB2 1 39 ARG HD2 2.900 . 6.000 3.334 2.421 3.709 . 0 0 "[ . 1]" 1
506 1 39 ARG HB3 1 39 ARG HD2 2.500 . 6.000 3.276 2.363 3.801 . 0 0 "[ . 1]" 1
507 1 29 ARG HA 1 29 ARG HD3 4.600 . 6.000 4.617 4.158 5.535 . 0 0 "[ . 1]" 1
508 1 29 ARG HD2 1 29 ARG HG3 2.900 . 6.000 2.624 2.402 3.018 . 0 0 "[ . 1]" 1
509 1 29 ARG HD3 2 16 LEU MD1 3.700 . 6.000 5.149 3.138 6.311 0.311 2 0 "[ . 1]" 1
510 1 25 LEU MD2 1 38 ARG HD2 3.200 . 6.000 2.969 1.665 4.192 . 0 0 "[ . 1]" 1
511 1 25 LEU MD2 1 38 ARG HD3 3.600 . 6.000 3.762 3.045 4.396 . 0 0 "[ . 1]" 1
512 1 31 ARG HD2 1 31 ARG HG2 2.800 . 6.000 2.750 2.406 3.018 . 0 0 "[ . 1]" 1
513 1 31 ARG HD2 1 31 ARG HG3 2.700 . 6.000 2.552 2.359 3.016 . 0 0 "[ . 1]" 1
514 1 31 ARG HB2 1 31 ARG HD3 3.000 . 6.000 3.023 2.492 3.774 . 0 0 "[ . 1]" 1
515 1 31 ARG HB2 1 31 ARG HD2 3.100 . 6.000 2.937 2.395 3.692 . 0 0 "[ . 1]" 1
516 1 31 ARG HB3 1 31 ARG HD2 3.700 . 6.000 3.097 2.325 3.700 . 0 0 "[ . 1]" 1
517 1 31 ARG HA 1 31 ARG HD2 3.800 . 6.000 4.602 4.307 4.932 . 0 0 "[ . 1]" 1
518 1 13 PRO HD2 1 13 PRO HG2 2.200 . 6.000 2.314 2.286 2.329 . 0 0 "[ . 1]" 1
519 1 16 PRO HB2 1 16 PRO HD3 2.800 . 6.000 3.866 3.854 3.883 . 0 0 "[ . 1]" 1
520 1 10 ASN HA 1 10 ASN HB2 2.900 . 6.000 2.778 2.430 3.033 . 0 0 "[ . 1]" 1
521 1 32 GLN HA 1 32 GLN HB2 2.700 . 6.000 2.821 2.472 3.026 . 0 0 "[ . 1]" 1
522 1 21 ALA HA 1 24 PHE HB2 4.500 . 6.000 3.221 2.891 3.517 . 0 0 "[ . 1]" 1
523 1 42 LEU HA 1 45 LYS HE2 2.900 . 6.000 4.401 4.095 5.084 . 0 0 "[ . 1]" 1
524 2 9 GLU HA 2 12 ALA MB 2.300 . 6.000 2.740 2.310 3.244 . 0 0 "[ . 1]" 1
525 1 31 ARG HD2 1 61 THR MG 3.500 . 6.000 3.870 2.894 4.583 . 0 0 "[ . 1]" 1
526 1 43 LYS HB2 1 43 LYS HG2 2.400 . 6.000 2.893 2.428 3.011 . 0 0 "[ . 1]" 1
527 1 26 GLN HB2 1 26 GLN HG3 3.000 . 6.000 2.449 2.380 2.513 . 0 0 "[ . 1]" 1
528 1 41 PHE HZ 2 11 TRP HA 2.700 . 6.000 2.457 1.954 2.925 . 0 0 "[ . 1]" 1
529 1 41 PHE QD 2 11 TRP HA 4.200 . 6.000 5.598 5.205 5.914 . 0 0 "[ . 1]" 1
530 1 41 PHE QE 1 45 LYS HG3 4.800 . 6.000 5.068 3.360 5.864 . 0 0 "[ . 1]" 1
531 1 41 PHE QE 1 45 LYS HG2 4.900 . 6.000 4.089 3.688 4.351 . 0 0 "[ . 1]" 1
532 1 45 LYS H 1 45 LYS HG3 4.200 . 6.000 4.273 3.699 4.524 . 0 0 "[ . 1]" 1
533 1 45 LYS H 1 45 LYS HG2 4.200 . 6.000 3.942 2.363 4.620 . 0 0 "[ . 1]" 1
534 1 45 LYS HG2 2 11 TRP HH2 4.900 . 6.000 3.519 2.762 5.155 . 0 0 "[ . 1]" 1
535 1 45 LYS HG2 2 11 TRP HE3 6.000 . 6.000 4.801 4.316 5.503 . 0 0 "[ . 1]" 1
536 1 45 LYS HG2 2 11 TRP HZ3 6.000 . 6.000 3.973 3.414 4.998 . 0 0 "[ . 1]" 1
537 2 15 PHE HB3 2 15 PHE QE 4.400 . 6.000 4.384 4.378 4.390 . 0 0 "[ . 1]" 1
538 1 24 PHE QE 1 42 LEU QD 3.000 . 6.000 2.990 2.277 3.793 . 0 0 "[ . 1]" 1
539 1 33 SER HB2 2 15 PHE QE 2.800 . 6.000 3.232 2.850 3.626 . 0 0 "[ . 1]" 1
540 1 37 THR HB 2 15 PHE QE 3.100 . 6.000 2.961 2.536 3.387 . 0 0 "[ . 1]" 1
541 1 25 LEU MD1 1 56 PHE HZ 5.100 . 6.000 4.538 3.925 5.091 . 0 0 "[ . 1]" 1
542 1 24 PHE QE 1 25 LEU MD1 4.300 . 6.000 4.355 2.817 5.255 . 0 0 "[ . 1]" 1
543 1 38 ARG QB 2 15 PHE QE 2.400 . 6.000 4.167 3.888 4.723 . 0 0 "[ . 1]" 1
544 1 24 PHE HZ 2 15 PHE QE 3.800 . 6.000 3.861 3.690 4.153 . 0 0 "[ . 1]" 1
545 1 45 LYS H 1 45 LYS HB2 3.100 . 6.000 2.445 2.406 2.498 . 0 0 "[ . 1]" 1
546 1 45 LYS H 1 45 LYS HE2 3.500 . 6.000 3.937 3.200 4.632 . 0 0 "[ . 1]" 1
547 1 45 LYS HE2 2 11 TRP HH2 3.700 . 6.000 5.689 5.452 6.006 0.006 1 0 "[ . 1]" 1
548 1 45 LYS HB2 2 11 TRP HH2 5.700 . 6.000 4.809 3.681 5.394 . 0 0 "[ . 1]" 1
549 1 39 ARG HB2 1 56 PHE QE 3.600 . 6.000 4.037 2.838 4.676 . 0 0 "[ . 1]" 1
550 1 39 ARG HB2 1 56 PHE HZ 3.600 . 6.000 3.827 1.939 4.588 . 0 0 "[ . 1]" 1
551 1 55 ALA MB 1 56 PHE QE 3.400 . 6.000 4.261 3.923 4.591 . 0 0 "[ . 1]" 1
552 1 39 ARG HG3 1 56 PHE QE 3.000 . 6.000 2.892 2.339 3.344 . 0 0 "[ . 1]" 1
553 1 42 LEU QD 1 45 LYS HG3 3.400 . 6.000 4.049 2.443 5.082 . 0 0 "[ . 1]" 1
554 2 16 LEU MD1 2 16 LEU HG 2.300 . 6.000 2.125 2.121 2.128 . 0 0 "[ . 1]" 1
555 2 16 LEU MD2 2 16 LEU HG 2.300 . 6.000 2.128 2.125 2.130 . 0 0 "[ . 1]" 1
556 2 16 LEU HB2 2 16 LEU MD2 3.100 . 6.000 3.201 3.198 3.204 . 0 0 "[ . 1]" 1
557 2 16 LEU HB2 2 16 LEU MD1 2.400 . 6.000 2.342 2.319 2.381 . 0 0 "[ . 1]" 1
558 2 16 LEU HB3 2 16 LEU MD1 2.500 . 6.000 2.374 2.348 2.387 . 0 0 "[ . 1]" 1
559 2 16 LEU HA 2 16 LEU MD2 2.400 . 6.000 1.987 1.920 2.021 . 0 0 "[ . 1]" 1
560 1 30 VAL QG 2 16 LEU MD1 2.700 . 6.000 3.385 2.943 4.008 . 0 0 "[ . 1]" 1
561 1 30 VAL QG 2 16 LEU MD2 2.500 . 6.000 2.766 2.170 3.524 . 0 0 "[ . 1]" 1
562 2 7 LEU HA 2 7 LEU QD 2.200 . 6.000 1.977 1.927 2.067 . 0 0 "[ . 1]" 1
563 1 37 THR MG 2 15 PHE QD 4.600 . 6.000 3.966 3.434 5.447 . 0 0 "[ . 1]" 1
564 2 17 ALA HA 2 17 ALA MB 2.300 . 6.000 2.127 2.123 2.129 . 0 0 "[ . 1]" 1
565 1 13 PRO HA 1 13 PRO HD3 2.900 . 6.000 3.574 3.298 3.894 . 0 0 "[ . 1]" 1
566 1 13 PRO HA 1 13 PRO HD2 2.600 . 6.000 3.981 3.916 4.090 . 0 0 "[ . 1]" 1
567 1 13 PRO HB3 1 13 PRO HD3 4.000 . 6.000 3.612 2.959 4.059 . 0 0 "[ . 1]" 1
568 2 10 ASN HA 2 10 ASN HB2 2.600 . 6.000 2.642 2.455 3.018 . 0 0 "[ . 1]" 1
569 2 10 ASN HA 2 10 ASN HB3 2.600 . 6.000 2.892 2.522 3.030 . 0 0 "[ . 1]" 1
570 2 7 LEU HA 2 10 ASN HB3 3.700 . 6.000 3.385 2.582 4.533 . 0 0 "[ . 1]" 1
571 2 7 LEU HA 2 10 ASN HB2 3.200 . 6.000 3.233 2.510 4.222 . 0 0 "[ . 1]" 1
572 1 53 ASP HA 1 56 PHE HB2 4.300 . 6.000 2.982 2.521 3.133 . 0 0 "[ . 1]" 1
573 1 53 ASP HA 1 56 PHE HB3 4.100 . 6.000 4.601 4.141 4.765 . 0 0 "[ . 1]" 1
574 2 15 PHE HA 2 15 PHE HB2 2.800 . 6.000 2.460 2.437 2.488 . 0 0 "[ . 1]" 1
575 2 12 ALA HA 2 15 PHE HB3 2.800 . 6.000 2.661 2.402 2.854 . 0 0 "[ . 1]" 1
576 2 12 ALA HA 2 15 PHE HB2 2.500 . 6.000 3.417 3.016 3.937 . 0 0 "[ . 1]" 1
577 1 24 PHE HZ 2 15 PHE HB3 4.700 . 6.000 3.331 2.929 3.616 . 0 0 "[ . 1]" 1
578 1 24 PHE HZ 2 15 PHE HB2 3.300 . 6.000 2.196 1.835 2.533 . 0 0 "[ . 1]" 1
579 1 24 PHE HZ 1 30 VAL QG 4.100 . 6.000 3.238 2.899 3.890 . 0 0 "[ . 1]" 1
580 1 25 LEU MD2 1 55 ALA HA 4.100 . 6.000 5.466 3.843 6.045 0.045 7 0 "[ . 1]" 1
581 1 25 LEU MD2 1 56 PHE HA 3.600 . 6.000 3.700 1.992 4.593 . 0 0 "[ . 1]" 1
582 1 25 LEU MD2 1 56 PHE HB3 3.000 . 6.000 5.059 3.771 6.110 0.110 4 0 "[ . 1]" 1
583 1 42 LEU QD 1 56 PHE QE 3.800 . 6.000 3.148 2.527 4.272 . 0 0 "[ . 1]" 1
584 2 13 GLN HA 2 13 GLN HB3 2.900 . 6.000 3.022 3.015 3.027 . 0 0 "[ . 1]" 1
585 1 39 ARG HA 1 42 LEU QD 4.600 . 6.000 3.190 2.900 3.704 . 0 0 "[ . 1]" 1
586 1 30 VAL HA 2 16 LEU MD2 2.900 . 6.000 4.102 3.463 4.680 . 0 0 "[ . 1]" 1
587 2 13 GLN HB3 2 13 GLN HG2 2.500 . 6.000 2.567 2.411 2.995 . 0 0 "[ . 1]" 1
588 2 13 GLN HA 2 13 GLN HG3 3.800 . 6.000 2.908 2.566 3.631 . 0 0 "[ . 1]" 1
589 2 13 GLN HA 2 13 GLN HG2 3.800 . 6.000 3.055 2.407 3.830 . 0 0 "[ . 1]" 1
590 2 15 PHE HA 2 18 ALA MB 4.800 . 6.000 3.300 2.586 4.230 . 0 0 "[ . 1]" 1
591 2 16 LEU HA 2 16 LEU HB2 2.700 . 6.000 3.017 3.012 3.020 . 0 0 "[ . 1]" 1
592 2 16 LEU HA 2 16 LEU HB3 2.900 . 6.000 2.481 2.462 2.498 . 0 0 "[ . 1]" 1
593 2 13 GLN HA 2 16 LEU HB3 4.000 . 6.000 4.893 4.488 5.108 . 0 0 "[ . 1]" 1
594 2 13 GLN HA 2 16 LEU HB2 3.600 . 6.000 3.211 2.818 3.409 . 0 0 "[ . 1]" 1
595 2 11 TRP HA 2 14 GLU HB3 4.500 . 6.000 4.654 4.108 5.307 . 0 0 "[ . 1]" 1
596 2 14 GLU HA 2 14 GLU HB3 2.500 . 6.000 2.484 2.415 2.662 . 0 0 "[ . 1]" 1
597 2 10 ASN HA 2 13 GLN HB3 3.000 . 6.000 2.665 2.263 2.882 . 0 0 "[ . 1]" 1
598 2 9 GLU HA 2 9 GLU HB3 2.800 . 6.000 2.918 2.465 3.026 . 0 0 "[ . 1]" 1
599 2 6 ALA HA 2 6 ALA MB 2.400 . 6.000 2.127 2.123 2.131 . 0 0 "[ . 1]" 1
600 2 6 ALA HA 2 9 GLU HB3 3.500 . 6.000 3.369 2.738 5.144 . 0 0 "[ . 1]" 1
601 2 8 SER HA 2 11 TRP HB2 3.600 . 6.000 2.669 2.269 3.053 . 0 0 "[ . 1]" 1
602 2 5 LEU HA 2 5 LEU MD2 2.700 . 6.000 2.021 1.984 2.099 . 0 0 "[ . 1]" 1
603 1 20 THR MG 2 8 SER HB3 3.300 . 6.000 4.339 3.300 5.754 . 0 0 "[ . 1]" 1
604 1 26 GLN HA 1 27 ASN HB3 3.800 . 6.000 5.353 4.886 5.978 . 0 0 "[ . 1]" 1
605 1 24 PHE HZ 1 42 LEU QD 4.900 . 6.000 4.573 4.052 5.192 . 0 0 "[ . 1]" 1
606 1 24 PHE HZ 2 12 ALA MB 6.000 . 6.000 5.402 5.188 5.666 . 0 0 "[ . 1]" 1
607 1 24 PHE HZ 2 15 PHE HA 6.000 . 6.000 4.228 3.810 4.551 . 0 0 "[ . 1]" 1
608 1 17 LEU HA 1 20 THR MG 4.400 . 6.000 4.438 4.267 4.956 . 0 0 "[ . 1]" 1
609 1 22 VAL HA 1 25 LEU MD2 2.600 . 6.000 3.985 3.024 4.486 . 0 0 "[ . 1]" 1
610 1 22 VAL HA 1 59 SER HA 3.600 . 6.000 4.721 4.313 5.435 . 0 0 "[ . 1]" 1
611 1 29 ARG HD3 1 29 ARG HG2 2.900 . 6.000 2.612 2.384 3.019 . 0 0 "[ . 1]" 1
612 1 27 ASN HA 1 30 VAL QG 5.700 . 6.000 4.463 3.674 4.850 . 0 0 "[ . 1]" 1
613 1 24 PHE HA 1 30 VAL QG 4.100 . 6.000 4.040 3.750 4.344 . 0 0 "[ . 1]" 1
614 2 7 LEU QD 2 8 SER HA 3.500 . 6.000 4.699 4.248 5.084 . 0 0 "[ . 1]" 1
615 1 24 PHE HB3 2 11 TRP HZ3 4.600 . 6.000 3.559 3.275 3.879 . 0 0 "[ . 1]" 1
616 1 20 THR HA 2 11 TRP HZ3 3.300 . 6.000 5.845 5.564 6.023 0.023 2 0 "[ . 1]" 1
617 1 30 VAL QG 1 31 ARG HA 4.100 . 6.000 3.605 3.319 3.787 . 0 0 "[ . 1]" 1
618 1 30 VAL QG 1 38 ARG HA 4.900 . 6.000 4.877 4.535 5.337 . 0 0 "[ . 1]" 1
619 1 17 LEU HA 2 11 TRP HH2 3.900 . 6.000 3.864 2.938 4.995 . 0 0 "[ . 1]" 1
620 1 21 ALA HA 2 11 TRP HH2 4.500 . 6.000 3.741 3.430 4.094 . 0 0 "[ . 1]" 1
621 1 24 PHE QE 1 41 PHE HB3 3.300 . 6.000 3.259 3.031 3.482 . 0 0 "[ . 1]" 1
622 1 24 PHE QE 1 41 PHE HB2 3.700 . 6.000 4.336 4.169 4.660 . 0 0 "[ . 1]" 1
623 1 41 PHE HB2 1 42 LEU H 3.800 . 6.000 3.769 3.678 3.842 . 0 0 "[ . 1]" 1
624 1 41 PHE HB3 1 42 LEU H 2.800 . 6.000 2.445 2.349 2.546 . 0 0 "[ . 1]" 1
625 1 39 ARG HA 1 42 LEU H 3.700 . 6.000 3.651 3.517 3.736 . 0 0 "[ . 1]" 1
626 1 41 PHE HA 1 42 LEU H 4.300 . 6.000 3.536 3.524 3.553 . 0 0 "[ . 1]" 1
627 1 42 LEU H 1 42 LEU HA 2.800 . 6.000 2.824 2.815 2.836 . 0 0 "[ . 1]" 1
628 1 42 LEU H 1 42 LEU HB3 3.600 . 5.200 3.505 2.802 3.595 . 0 0 "[ . 1]" 1
629 1 42 LEU H 1 42 LEU HB2 2.500 . 6.000 2.448 2.203 2.531 . 0 0 "[ . 1]" 1
630 1 42 LEU HB2 1 43 LYS H 3.600 . 6.000 2.912 2.707 3.635 . 0 0 "[ . 1]" 1
631 1 42 LEU HB3 1 43 LYS H 3.700 . 5.400 3.696 2.695 3.911 . 0 0 "[ . 1]" 1
632 1 43 LYS H 1 43 LYS HB2 2.700 . 6.000 2.484 2.330 2.694 . 0 0 "[ . 1]" 1
633 1 41 PHE QE 2 14 GLU HG3 5.700 . 6.000 4.368 3.833 4.887 . 0 0 "[ . 1]" 1
634 1 43 LYS H 1 43 LYS HG3 3.800 . 6.000 3.785 2.247 4.497 . 0 0 "[ . 1]" 1
635 1 42 LEU H 1 45 LYS HE2 3.300 . 6.000 6.168 6.042 6.771 0.771 8 1 "[ . + 1]" 1
636 1 43 LYS H 1 52 ILE MG 3.300 . 6.000 3.696 2.871 4.732 . 0 0 "[ . 1]" 1
637 1 56 PHE H 1 56 PHE QD 3.500 . 6.000 2.903 2.155 3.200 . 0 0 "[ . 1]" 1
638 1 53 ASP HA 1 56 PHE H 3.600 . 6.000 3.409 3.121 3.657 . 0 0 "[ . 1]" 1
639 1 55 ALA HA 1 56 PHE H 3.600 . 6.000 3.555 3.546 3.568 . 0 0 "[ . 1]" 1
640 1 56 PHE H 1 56 PHE HB3 3.300 . 6.000 3.603 3.583 3.615 . 0 0 "[ . 1]" 1
641 1 56 PHE H 1 56 PHE HB2 2.700 . 6.000 2.473 2.354 2.538 . 0 0 "[ . 1]" 1
642 1 55 ALA MB 1 56 PHE H 3.100 . 6.000 2.480 2.373 2.558 . 0 0 "[ . 1]" 1
643 1 25 LEU MD1 1 56 PHE H 4.000 . 6.000 4.092 3.046 5.243 . 0 0 "[ . 1]" 1
644 1 41 PHE H 1 41 PHE HB2 3.200 . 6.000 2.505 2.399 2.571 . 0 0 "[ . 1]" 1
645 1 41 PHE H 1 41 PHE HB3 3.500 . 6.000 2.533 2.470 2.589 . 0 0 "[ . 1]" 1
646 1 54 MET H 1 54 MET HB2 3.100 . 6.000 2.514 2.389 2.635 . 0 0 "[ . 1]" 1
647 1 22 VAL H 1 22 VAL QG 2.900 . 6.000 1.988 1.907 2.280 . 0 0 "[ . 1]" 1
648 1 19 ALA HA 1 22 VAL H 3.600 . 6.000 3.501 3.282 3.667 . 0 0 "[ . 1]" 1
649 1 22 VAL H 1 22 VAL HB 2.900 . 6.000 3.418 2.452 3.660 . 0 0 "[ . 1]" 1
650 1 21 ALA MB 1 22 VAL H 3.100 . 6.000 2.526 2.447 2.597 . 0 0 "[ . 1]" 1
651 1 22 VAL H 1 55 ALA MB 3.600 . 6.000 3.612 3.335 4.004 . 0 0 "[ . 1]" 1
652 1 18 ILE MG 1 22 VAL H 3.800 . 6.000 3.750 3.346 4.031 . 0 0 "[ . 1]" 1
653 1 22 VAL H 1 25 LEU MD1 5.400 . 6.000 4.528 3.876 6.646 0.646 4 1 "[ +. 1]" 1
654 1 24 PHE H 1 24 PHE QD 5.000 . 6.000 4.129 4.072 4.176 . 0 0 "[ . 1]" 1
655 1 22 VAL HB 1 23 LYS H 3.100 . 6.000 3.651 2.479 3.861 . 0 0 "[ . 1]" 1
656 1 23 LYS H 1 23 LYS HG2 3.200 . 6.000 3.684 2.345 4.584 . 0 0 "[ . 1]" 1
657 1 21 ALA H 1 21 ALA MB 3.100 . 6.000 2.228 2.214 2.236 . 0 0 "[ . 1]" 1
658 1 20 THR HA 1 21 ALA H 3.600 . 6.000 3.505 3.498 3.521 . 0 0 "[ . 1]" 1
659 1 21 ALA HA 1 22 VAL H 4.500 . 6.000 3.569 3.539 3.581 . 0 0 "[ . 1]" 1
660 1 54 MET HB2 1 55 ALA H 2.900 . 6.000 3.554 2.659 4.012 . 0 0 "[ . 1]" 1
661 1 54 MET HB3 1 54 MET HG3 3.000 . 4.200 2.847 2.421 3.011 . 0 0 "[ . 1]" 1
662 1 54 MET HB3 1 55 ALA H 3.400 . 6.000 2.988 2.541 3.710 . 0 0 "[ . 1]" 1
663 1 54 MET H 1 54 MET HB3 3.300 . 6.000 2.833 2.413 3.619 . 0 0 "[ . 1]" 1
664 1 53 ASP HB3 1 54 MET H 3.200 . 6.000 2.890 2.611 3.657 . 0 0 "[ . 1]" 1
665 1 54 MET H 1 54 MET HG3 3.600 . 6.000 4.124 2.307 4.573 . 0 0 "[ . 1]" 1
666 1 53 ASP HA 1 54 MET H 4.100 . 6.000 3.506 3.491 3.523 . 0 0 "[ . 1]" 1
667 1 52 ILE HA 1 53 ASP H 4.000 . 6.000 3.539 3.516 3.563 . 0 0 "[ . 1]" 1
668 1 53 ASP HB2 1 54 MET H 5.500 . 6.000 3.678 2.774 4.063 . 0 0 "[ . 1]" 1
669 1 53 ASP H 1 53 ASP HB3 3.100 . 6.000 2.800 2.392 3.586 . 0 0 "[ . 1]" 1
670 1 53 ASP H 1 53 ASP HB2 3.100 . 6.000 2.423 2.244 2.693 . 0 0 "[ . 1]" 1
671 1 52 ILE H 1 52 ILE HA 3.000 . 6.000 2.845 2.819 2.858 . 0 0 "[ . 1]" 1
672 1 49 ASP HA 1 52 ILE H 3.500 . 6.000 3.493 3.269 3.671 . 0 0 "[ . 1]" 1
673 1 51 GLU HA 1 55 ALA H 4.100 . 6.000 4.350 4.049 4.674 . 0 0 "[ . 1]" 1
674 1 50 GLU HA 1 51 GLU H 4.400 . 6.000 3.537 3.516 3.559 . 0 0 "[ . 1]" 1
675 1 48 THR H 1 48 THR HB 3.900 . 6.000 3.329 2.693 3.699 . 0 0 "[ . 1]" 1
676 1 47 LEU HA 1 48 THR H 2.500 . 6.000 2.290 2.174 2.470 . 0 0 "[ . 1]" 1
677 1 47 LEU HG 1 48 THR H 3.400 . 6.000 4.561 3.814 5.004 . 0 0 "[ . 1]" 1
678 1 48 THR H 1 48 THR MG 2.700 . 6.000 2.915 2.205 3.768 . 0 0 "[ . 1]" 1
679 1 47 LEU HB2 1 48 THR H 4.600 . 6.000 3.858 3.542 4.084 . 0 0 "[ . 1]" 1
680 1 47 LEU MD1 1 48 THR H 4.800 . 6.000 4.526 4.269 4.735 . 0 0 "[ . 1]" 1
681 1 47 LEU MD2 1 48 THR H 4.900 . 6.000 3.584 3.117 4.395 . 0 0 "[ . 1]" 1
682 1 25 LEU H 1 25 LEU HB2 2.800 . 6.000 2.437 2.146 2.645 . 0 0 "[ . 1]" 1
683 1 25 LEU H 1 25 LEU MD2 3.500 . 6.000 3.343 2.335 4.067 . 0 0 "[ . 1]" 1
684 1 25 LEU H 1 25 LEU MD1 3.900 . 6.000 3.117 2.174 3.994 . 0 0 "[ . 1]" 1
685 1 52 ILE MD 1 53 ASP H 4.600 . 6.000 4.087 3.751 4.425 . 0 0 "[ . 1]" 1
686 1 25 LEU H 1 30 VAL QG 5.300 . 6.000 4.254 3.964 4.614 . 0 0 "[ . 1]" 1
687 1 20 THR MG 1 21 ALA H 5.200 . 6.000 3.712 3.639 3.778 . 0 0 "[ . 1]" 1
688 1 24 PHE H 1 24 PHE HB3 2.700 . 6.000 2.311 2.230 2.408 . 0 0 "[ . 1]" 1
689 1 24 PHE H 1 24 PHE HB2 3.200 . 6.000 2.696 2.609 2.744 . 0 0 "[ . 1]" 1
690 1 24 PHE HB3 1 25 LEU H 3.000 . 6.000 2.548 2.455 2.653 . 0 0 "[ . 1]" 1
691 1 25 LEU H 1 25 LEU HB3 3.600 . 6.000 3.541 3.460 3.607 . 0 0 "[ . 1]" 1
692 1 39 ARG HB3 1 56 PHE QE 3.400 . 6.000 4.036 3.461 4.622 . 0 0 "[ . 1]" 1
693 1 24 PHE QD 1 25 LEU H 3.700 . 5.400 3.232 3.120 3.379 . 0 0 "[ . 1]" 1
694 1 25 LEU HA 1 26 GLN H 4.100 . 6.000 3.509 3.469 3.556 . 0 0 "[ . 1]" 1
695 1 24 PHE HZ 1 41 PHE HA 4.600 . 6.000 6.061 6.025 6.103 0.103 1 0 "[ . 1]" 1
696 1 24 PHE QE 2 15 PHE HA 4.900 . 6.000 4.678 4.429 4.991 . 0 0 "[ . 1]" 1
697 1 48 THR H 1 52 ILE H 4.100 . 6.000 4.384 3.704 4.957 . 0 0 "[ . 1]" 1
698 1 47 LEU H 1 47 LEU HA 2.900 . 6.000 2.904 2.885 2.923 . 0 0 "[ . 1]" 1
699 1 46 GLY HA2 1 47 LEU H 3.600 . 6.000 3.349 3.310 3.412 . 0 0 "[ . 1]" 1
700 1 24 PHE HA 1 25 LEU H 3.700 . 6.000 3.547 3.527 3.567 . 0 0 "[ . 1]" 1
701 1 52 ILE H 1 53 ASP HA 4.400 . 6.000 5.199 5.148 5.278 . 0 0 "[ . 1]" 1
702 1 51 GLU H 1 51 GLU HB3 3.400 . 6.000 3.594 3.579 3.609 . 0 0 "[ . 1]" 1
703 1 51 GLU H 1 51 GLU HG2 3.800 . 6.000 3.164 1.968 3.651 . 0 0 "[ . 1]" 1
704 1 50 GLU HB2 1 51 GLU H 3.500 . 6.000 3.314 2.449 3.980 . 0 0 "[ . 1]" 1
705 1 51 GLU H 1 51 GLU HB2 2.800 . 6.000 2.516 2.432 2.646 . 0 0 "[ . 1]" 1
706 1 51 GLU HB2 1 52 ILE H 3.500 . 6.000 2.720 2.583 2.926 . 0 0 "[ . 1]" 1
707 1 51 GLU HB3 1 52 ILE H 4.000 . 6.000 3.760 3.658 3.818 . 0 0 "[ . 1]" 1
708 1 52 ILE H 1 52 ILE HB 2.300 . 6.000 3.107 2.518 3.679 . 0 0 "[ . 1]" 1
709 1 24 PHE HZ 1 38 ARG HA 4.300 . 6.000 4.334 4.113 4.616 . 0 0 "[ . 1]" 1
710 1 24 PHE HZ 2 12 ALA HA 4.600 . 6.000 4.254 3.994 4.604 . 0 0 "[ . 1]" 1
711 1 45 LYS H 1 45 LYS HD3 6.000 . 6.000 4.359 3.677 4.569 . 0 0 "[ . 1]" 1
712 1 44 LYS HB3 1 45 LYS H 3.400 . 6.000 3.309 2.748 3.974 . 0 0 "[ . 1]" 1
713 1 42 LEU HA 1 45 LYS H 4.200 . 6.000 3.141 2.901 3.316 . 0 0 "[ . 1]" 1
714 1 44 LYS HA 1 45 LYS H 4.400 . 6.000 3.457 3.418 3.499 . 0 0 "[ . 1]" 1
715 1 20 THR HB 1 23 LYS H 3.700 . 6.000 5.617 5.512 5.737 . 0 0 "[ . 1]" 1
716 1 22 VAL HA 1 23 LYS H 4.200 . 6.000 3.556 3.516 3.582 . 0 0 "[ . 1]" 1
717 1 19 ALA MB 1 20 THR HB 4.100 . 6.000 4.796 4.738 4.904 . 0 0 "[ . 1]" 1
718 1 43 LYS HA 1 47 LEU H 3.400 . 6.000 3.056 2.767 3.348 . 0 0 "[ . 1]" 1
719 1 47 LEU H 1 47 LEU HG 3.800 . 6.000 3.036 2.570 3.901 . 0 0 "[ . 1]" 1
720 1 47 LEU H 1 47 LEU HB2 2.500 . 6.000 2.382 2.302 2.454 . 0 0 "[ . 1]" 1
721 1 47 LEU H 1 47 LEU MD1 3.000 . 6.000 3.339 2.236 3.889 . 0 0 "[ . 1]" 1
722 1 47 LEU H 1 47 LEU MD2 3.400 . 6.000 3.748 3.501 4.101 . 0 0 "[ . 1]" 1
723 1 55 ALA H 1 55 ALA MB 2.600 . 6.000 2.238 2.226 2.245 . 0 0 "[ . 1]" 1
724 1 18 ILE MG 1 55 ALA H 3.200 . 6.000 3.438 3.170 3.774 . 0 0 "[ . 1]" 1
725 1 52 ILE H 1 52 ILE MD 3.800 . 6.000 3.609 3.432 3.850 . 0 0 "[ . 1]" 1
726 1 47 LEU MD2 1 52 ILE H 3.200 . 6.000 4.781 3.993 5.470 . 0 0 "[ . 1]" 1
727 1 52 ILE H 1 52 ILE MG 3.100 . 6.000 2.963 2.079 3.767 . 0 0 "[ . 1]" 1
728 1 25 LEU MD1 1 55 ALA H 6.000 . 6.000 5.259 4.336 6.764 0.764 4 1 "[ +. 1]" 1
729 1 21 ALA MB 1 55 ALA H 4.900 . 6.000 4.851 4.585 5.175 . 0 0 "[ . 1]" 1
730 1 54 MET H 1 54 MET HG2 3.800 . 6.000 3.932 2.345 4.462 . 0 0 "[ . 1]" 1
731 1 24 PHE QE 1 41 PHE QE 2.900 . 6.000 3.664 3.561 3.773 . 0 0 "[ . 1]" 1
732 1 41 PHE QE 2 11 TRP HE3 3.000 . 6.000 2.615 2.210 2.955 . 0 0 "[ . 1]" 1
733 1 41 PHE QE 2 11 TRP HB3 4.000 . 6.000 2.745 2.564 3.074 . 0 0 "[ . 1]" 1
734 1 41 PHE HB2 1 41 PHE QE 4.700 . 6.000 4.405 4.396 4.423 . 0 0 "[ . 1]" 1
735 1 41 PHE QE 2 11 TRP HB2 4.500 . 6.000 4.363 4.199 4.634 . 0 0 "[ . 1]" 1
736 1 41 PHE QE 2 14 GLU HB3 3.000 . 6.000 2.697 2.225 3.147 . 0 0 "[ . 1]" 1
737 1 41 PHE QE 2 14 GLU HG2 4.500 . 6.000 4.829 4.249 5.365 . 0 0 "[ . 1]" 1
738 1 41 PHE QE 2 15 PHE HB2 4.000 . 6.000 3.268 3.057 3.439 . 0 0 "[ . 1]" 1
739 1 41 PHE QE 2 11 TRP HA 3.800 . 5.600 3.533 3.166 3.843 . 0 0 "[ . 1]" 1
740 1 41 PHE HZ 2 14 GLU HB3 4.900 . 6.000 3.719 3.268 4.312 . 0 0 "[ . 1]" 1
741 1 41 PHE HZ 2 14 GLU HG2 5.700 . 6.000 4.701 4.073 5.299 . 0 0 "[ . 1]" 1
742 1 41 PHE HZ 2 14 GLU HG3 5.900 . 6.000 4.064 3.526 4.439 . 0 0 "[ . 1]" 1
743 1 42 LEU HA 1 45 LYS HG2 5.200 . 6.000 3.445 2.461 4.090 . 0 0 "[ . 1]" 1
744 1 42 LEU HA 1 45 LYS HG3 4.300 . 6.000 4.123 2.604 5.002 . 0 0 "[ . 1]" 1
745 1 25 LEU MD2 1 38 ARG HA 3.400 . 6.000 4.715 3.908 5.877 . 0 0 "[ . 1]" 1
746 1 20 THR MG 1 21 ALA HA 3.900 . 6.000 3.850 3.768 3.910 . 0 0 "[ . 1]" 1
747 1 21 ALA HA 1 25 LEU MD1 5.100 . 6.000 4.548 3.392 6.250 0.250 4 0 "[ . 1]" 1
748 1 24 PHE HA 1 25 LEU MD1 5.700 . 6.000 5.794 4.602 6.559 0.559 5 2 "[ + -1]" 1
749 1 21 ALA MB 1 25 LEU MD1 4.100 . 6.000 3.484 2.785 5.068 . 0 0 "[ . 1]" 1
750 1 24 PHE QE 2 12 ALA HA 2.400 . 6.000 1.986 1.755 2.260 . 0 0 "[ . 1]" 1
751 1 30 VAL HA 2 16 LEU MD1 3.400 . 6.000 5.705 5.204 6.093 0.093 3 0 "[ . 1]" 1
752 1 41 PHE QD 2 14 GLU HB3 3.900 . 6.000 4.776 3.796 5.414 . 0 0 "[ . 1]" 1
753 1 38 ARG HD2 1 56 PHE QE 3.900 . 6.000 3.194 1.647 4.360 . 0 0 "[ . 1]" 1
754 1 38 ARG HD2 1 56 PHE HZ 4.600 . 6.000 4.852 3.488 6.045 0.045 6 0 "[ . 1]" 1
755 1 42 LEU H 1 42 LEU HG 3.100 . 4.300 2.662 2.181 4.534 0.234 8 0 "[ . 1]" 1
756 2 18 ALA H 2 18 ALA HA 2.600 . 3.500 2.892 2.839 2.929 . 0 0 "[ . 1]" 1
757 2 17 ALA H 2 17 ALA HA 2.600 . 3.500 2.841 2.816 2.870 . 0 0 "[ . 1]" 1
758 2 16 LEU HA 2 17 ALA H 3.400 . 4.800 3.521 3.495 3.573 . 0 0 "[ . 1]" 1
759 2 18 ALA HA 2 19 GLY H 3.500 . 5.100 3.401 3.311 3.511 . 0 0 "[ . 1]" 1
760 2 19 GLY H 2 19 GLY HA3 2.800 . 3.800 2.880 2.805 2.935 . 0 0 "[ . 1]" 1
761 2 19 GLY HA2 2 20 ASP H 4.900 . 6.000 2.719 2.373 3.221 . 0 0 "[ . 1]" 1
762 2 19 GLY HA3 2 20 ASP H 4.300 . 6.000 3.524 3.305 3.572 . 0 0 "[ . 1]" 1
763 2 15 PHE H 2 15 PHE HA 2.900 . 4.000 2.816 2.798 2.836 . 0 0 "[ . 1]" 1
764 2 12 ALA HA 2 13 GLN H 3.900 . 5.800 3.528 3.506 3.547 . 0 0 "[ . 1]" 1
765 2 9 GLU HA 2 10 ASN H 3.700 . 5.400 3.526 3.488 3.561 . 0 0 "[ . 1]" 1
766 2 14 GLU H 2 14 GLU HA 2.800 . 3.800 2.808 2.790 2.838 . 0 0 "[ . 1]" 1
767 2 13 GLN H 2 13 GLN HA 2.800 . 3.700 2.787 2.764 2.815 . 0 0 "[ . 1]" 1
768 2 13 GLN H 2 13 GLN HB3 2.400 . 3.100 2.500 2.375 2.622 . 0 0 "[ . 1]" 1
769 2 13 GLN H 2 13 GLN HG2 4.500 . 6.000 4.435 4.363 4.580 . 0 0 "[ . 1]" 1
770 2 13 GLN H 2 13 GLN HG3 4.300 . 6.000 4.469 4.394 4.563 . 0 0 "[ . 1]" 1
771 2 15 PHE H 2 15 PHE HB3 2.500 . 3.300 2.516 2.455 2.544 . 0 0 "[ . 1]" 1
772 2 15 PHE H 2 15 PHE HB2 2.700 . 3.600 2.521 2.470 2.582 . 0 0 "[ . 1]" 1
773 2 10 ASN H 2 10 ASN HB3 3.300 . 4.700 2.869 2.495 3.590 . 0 0 "[ . 1]" 1
774 2 10 ASN H 2 10 ASN HB2 2.900 . 3.900 2.476 2.311 2.610 . 0 0 "[ . 1]" 1
775 2 10 ASN H 2 10 ASN HA 2.800 . 3.800 2.828 2.792 2.845 . 0 0 "[ . 1]" 1
776 2 12 ALA H 2 12 ALA HA 2.900 . 3.900 2.807 2.790 2.822 . 0 0 "[ . 1]" 1
777 2 12 ALA H 2 12 ALA MB 2.400 . 6.000 2.235 2.227 2.241 . 0 0 "[ . 1]" 1
778 2 7 LEU HA 2 8 SER H 4.100 . 6.000 3.558 3.538 3.580 . 0 0 "[ . 1]" 1
779 2 3 ALA HA 2 4 ASP H 2.800 . 3.800 3.443 2.888 3.530 . 0 0 "[ . 1]" 1
780 2 5 LEU H 2 5 LEU HA 2.900 . 3.900 2.844 2.799 2.903 . 0 0 "[ . 1]" 1
781 2 4 ASP HA 2 5 LEU H 2.600 . 3.400 3.502 3.464 3.522 0.122 4 0 "[ . 1]" 1
782 2 11 TRP H 2 11 TRP HA 3.000 . 4.100 2.805 2.787 2.832 . 0 0 "[ . 1]" 1
783 2 8 SER HB2 2 11 TRP H 4.700 . 6.000 5.575 5.276 5.878 . 0 0 "[ . 1]" 1
784 2 8 SER HB2 2 9 GLU H 5.700 . 6.000 3.348 2.698 3.914 . 0 0 "[ . 1]" 1
785 2 11 TRP HA 2 12 ALA H 4.500 . 6.000 3.555 3.548 3.568 . 0 0 "[ . 1]" 1
786 2 10 ASN HB2 2 11 TRP H 3.000 . 4.200 3.480 2.607 3.920 . 0 0 "[ . 1]" 1
787 2 11 TRP H 2 11 TRP HB3 3.700 . 5.400 3.581 3.561 3.595 . 0 0 "[ . 1]" 1
788 2 11 TRP HB3 2 12 ALA H 3.300 . 4.600 3.348 3.178 3.455 . 0 0 "[ . 1]" 1
789 2 11 TRP HB2 2 12 ALA H 3.100 . 4.300 2.512 2.372 2.661 . 0 0 "[ . 1]" 1
790 2 14 GLU HA 2 15 PHE H 3.500 . 5.000 3.523 3.484 3.545 . 0 0 "[ . 1]" 1
791 2 12 ALA HA 2 15 PHE H 4.000 . 6.000 3.440 3.327 3.716 . 0 0 "[ . 1]" 1
792 2 10 ASN HA 2 11 TRP H 3.600 . 5.300 3.539 3.520 3.554 . 0 0 "[ . 1]" 1
793 2 13 GLN HA 2 14 GLU H 3.600 . 5.200 3.554 3.544 3.563 . 0 0 "[ . 1]" 1
794 2 9 GLU H 2 10 ASN H 3.300 . 4.600 2.627 2.484 2.809 . 0 0 "[ . 1]" 1
795 2 18 ALA H 2 19 GLY H 3.600 . 5.200 2.367 2.225 2.532 . 0 0 "[ . 1]" 1
796 2 16 LEU H 2 17 ALA H 2.800 . 3.800 2.548 2.470 2.616 . 0 0 "[ . 1]" 1
797 2 15 PHE H 2 16 LEU H 3.000 . 4.100 2.703 2.615 2.816 . 0 0 "[ . 1]" 1
798 2 14 GLU H 2 15 PHE H 2.800 . 3.800 2.678 2.526 2.766 . 0 0 "[ . 1]" 1
799 2 12 ALA H 2 13 GLN H 2.900 . 3.900 2.686 2.632 2.757 . 0 0 "[ . 1]" 1
800 2 13 GLN H 2 14 GLU H 2.500 . 3.300 2.803 2.701 2.932 . 0 0 "[ . 1]" 1
801 2 10 ASN H 2 11 TRP H 3.400 . 4.900 2.641 2.560 2.776 . 0 0 "[ . 1]" 1
802 2 11 TRP H 2 12 ALA H 3.100 . 4.300 2.757 2.649 2.834 . 0 0 "[ . 1]" 1
803 2 11 TRP H 2 11 TRP HD1 3.000 . 4.200 2.250 2.064 2.423 . 0 0 "[ . 1]" 1
804 2 15 PHE QD 2 16 LEU H 3.400 . 4.900 3.479 3.236 3.721 . 0 0 "[ . 1]" 1
805 2 15 PHE H 2 15 PHE QD 4.300 . 6.000 4.179 4.168 4.194 . 0 0 "[ . 1]" 1
806 2 10 ASN HA 2 12 ALA H 4.100 . 6.000 4.572 4.356 4.772 . 0 0 "[ . 1]" 1
807 2 5 LEU HA 2 5 LEU HG 2.700 . 3.600 3.132 3.071 3.249 . 0 0 "[ . 1]" 1
808 2 6 ALA H 2 6 ALA HA 2.900 . 3.900 2.822 2.792 2.856 . 0 0 "[ . 1]" 1
809 2 5 LEU HA 2 6 ALA H 3.100 . 4.300 3.536 3.500 3.577 . 0 0 "[ . 1]" 1
810 2 7 LEU H 2 7 LEU HA 3.000 . 4.100 2.832 2.788 2.871 . 0 0 "[ . 1]" 1
811 2 6 ALA HA 2 7 LEU H 2.900 . 3.900 3.538 3.509 3.566 . 0 0 "[ . 1]" 1
812 2 7 LEU QD 2 11 TRP HE1 3.100 . 4.300 2.608 2.011 3.525 . 0 0 "[ . 1]" 1
813 2 2 VAL HA 2 3 ALA H 3.300 . 4.700 3.404 2.211 3.573 . 0 0 "[ . 1]" 1
814 2 14 GLU HB3 2 15 PHE H 3.300 . 4.600 3.639 3.326 3.829 . 0 0 "[ . 1]" 1
815 2 14 GLU H 2 14 GLU HB3 3.100 . 4.300 3.577 3.499 3.611 . 0 0 "[ . 1]" 1
816 2 14 GLU H 2 14 GLU HG2 2.600 . 3.400 2.578 1.953 3.371 . 0 0 "[ . 1]" 1
817 2 14 GLU H 2 14 GLU HG3 3.300 . 4.700 3.147 1.997 3.853 . 0 0 "[ . 1]" 1
818 2 15 PHE HB3 2 16 LEU H 3.000 . 4.200 2.515 2.395 2.671 . 0 0 "[ . 1]" 1
819 2 15 PHE HB2 2 16 LEU H 5.000 . 6.000 3.834 3.756 3.928 . 0 0 "[ . 1]" 1
820 2 16 LEU H 2 16 LEU HG 2.400 . 3.100 2.364 2.259 2.512 . 0 0 "[ . 1]" 1
821 2 16 LEU H 2 16 LEU HB3 3.600 . 5.200 3.598 3.586 3.621 . 0 0 "[ . 1]" 1
822 2 16 LEU H 2 16 LEU HB2 2.500 . 3.300 2.457 2.429 2.490 . 0 0 "[ . 1]" 1
823 2 16 LEU H 2 16 LEU MD1 4.100 . 6.000 3.659 3.606 3.742 . 0 0 "[ . 1]" 1
824 2 16 LEU H 2 16 LEU MD2 4.500 . 6.000 3.363 3.291 3.511 . 0 0 "[ . 1]" 1
825 2 6 ALA H 2 6 ALA MB 2.600 . 3.400 2.239 2.218 2.263 . 0 0 "[ . 1]" 1
826 2 7 LEU H 2 7 LEU HB3 3.000 . 4.100 3.079 2.516 3.612 . 0 0 "[ . 1]" 1
827 2 16 LEU HB2 2 17 ALA H 2.200 . 2.800 2.714 2.405 2.840 0.040 3 0 "[ . 1]" 1
828 2 16 LEU HB3 2 17 ALA H 4.100 . 6.000 3.711 3.439 3.799 . 0 0 "[ . 1]" 1
829 2 9 GLU H 2 9 GLU HB3 2.700 . 3.600 2.765 2.445 3.601 0.001 1 0 "[ . 1]" 1
830 2 9 GLU HB3 2 10 ASN H 2.900 . 3.900 2.846 2.294 3.776 . 0 0 "[ . 1]" 1
831 2 18 ALA H 2 18 ALA MB 2.800 . 3.700 2.286 2.250 2.350 . 0 0 "[ . 1]" 1
832 2 4 ASP H 2 4 ASP HB2 3.000 . 4.100 2.731 2.532 3.606 . 0 0 "[ . 1]" 1
833 2 3 ALA H 2 3 ALA MB 3.600 . 5.200 2.296 2.230 2.802 . 0 0 "[ . 1]" 1
834 2 4 ASP H 2 4 ASP HB3 3.600 . 5.200 3.131 2.245 3.614 . 0 0 "[ . 1]" 1
835 2 11 TRP HB2 2 11 TRP HD1 3.000 . 6.000 3.257 3.164 3.367 . 0 0 "[ . 1]" 1
836 2 10 ASN HB3 2 11 TRP HD1 3.200 . 6.000 2.822 2.389 3.661 . 0 0 "[ . 1]" 1
837 2 11 TRP HA 2 11 TRP HD1 2.500 . 6.000 2.894 2.679 3.100 . 0 0 "[ . 1]" 1
838 2 10 ASN HB3 2 11 TRP H 3.700 . 5.400 2.816 2.335 3.516 . 0 0 "[ . 1]" 1
839 2 5 LEU H 2 5 LEU MD1 5.100 . 6.000 3.658 3.591 3.792 . 0 0 "[ . 1]" 1
840 2 5 LEU H 2 5 LEU MD2 5.400 . 6.000 3.305 3.090 3.498 . 0 0 "[ . 1]" 1
841 2 5 LEU H 2 5 LEU HG 2.300 . 3.000 2.324 2.220 2.586 . 0 0 "[ . 1]" 1
842 2 15 PHE HB3 2 15 PHE QD 2.200 . 2.800 2.314 2.286 2.333 . 0 0 "[ . 1]" 1
843 1 30 VAL HA 2 15 PHE QE 2.500 . 3.300 2.955 2.641 3.344 0.044 8 0 "[ . 1]" 1
844 1 20 THR MG 2 8 SER H 5.400 . 6.000 3.759 3.181 4.633 . 0 0 "[ . 1]" 1
845 2 7 LEU H 2 7 LEU QD 4.300 . 6.000 3.401 3.049 3.699 . 0 0 "[ . 1]" 1
846 2 7 LEU QD 2 11 TRP HD1 3.500 . 6.000 3.446 2.732 4.424 . 0 0 "[ . 1]" 1
847 2 15 PHE HB2 2 15 PHE QD 2.500 . 3.300 2.479 2.444 2.545 . 0 0 "[ . 1]" 1
848 2 12 ALA HA 2 15 PHE QD 3.500 . 5.000 4.109 3.836 4.324 . 0 0 "[ . 1]" 1
849 2 15 PHE QD 2 16 LEU HA 3.200 . 4.400 3.494 3.272 3.745 . 0 0 "[ . 1]" 1
850 1 30 VAL HA 2 15 PHE QD 4.600 . 6.000 4.003 3.536 4.575 . 0 0 "[ . 1]" 1
851 2 15 PHE QD 2 16 LEU HG 2.300 . 3.000 2.970 2.839 3.035 0.035 2 0 "[ . 1]" 1
852 2 15 PHE QD 2 16 LEU MD1 3.900 . 5.800 4.253 4.094 4.387 . 0 0 "[ . 1]" 1
853 1 21 ALA HA 2 11 TRP HZ3 2.500 . 3.300 1.926 1.738 2.251 . 0 0 "[ . 1]" 1
854 1 21 ALA HA 2 11 TRP HE3 3.600 . 5.200 3.070 2.892 3.261 . 0 0 "[ . 1]" 1
855 2 11 TRP HB2 2 11 TRP HE3 3.800 . 5.600 3.471 3.319 3.590 . 0 0 "[ . 1]" 1
856 2 11 TRP HB3 2 11 TRP HE3 2.800 . 3.800 2.482 2.425 2.552 . 0 0 "[ . 1]" 1
857 1 24 PHE HB3 2 11 TRP HE3 3.200 . 4.500 2.894 2.663 3.133 . 0 0 "[ . 1]" 1
858 1 24 PHE HB2 2 11 TRP HE3 2.400 . 3.100 2.337 2.171 2.512 . 0 0 "[ . 1]" 1
859 1 45 LYS HG3 2 11 TRP HZ2 3.800 . 5.600 3.962 3.592 4.453 . 0 0 "[ . 1]" 1
860 1 45 LYS HG2 2 11 TRP HZ2 4.600 . 6.000 4.036 3.148 5.808 . 0 0 "[ . 1]" 1
861 1 45 LYS HB2 2 11 TRP HZ2 5.000 . 6.000 5.591 5.250 5.832 . 0 0 "[ . 1]" 1
862 1 45 LYS HE2 2 11 TRP HZ2 4.300 . 6.000 5.552 5.044 5.825 . 0 0 "[ . 1]" 1
863 2 20 ASP H 2 20 ASP HB2 3.500 . 5.000 3.112 2.444 3.619 . 0 0 "[ . 1]" 1
864 2 20 ASP H 2 20 ASP HB3 3.800 . 5.700 2.888 2.488 3.656 . 0 0 "[ . 1]" 1
865 2 12 ALA MB 2 13 GLN H 2.900 . 6.000 2.529 2.465 2.652 . 0 0 "[ . 1]" 1
866 2 15 PHE QE 2 16 LEU HG 5.300 . 6.000 5.020 4.803 5.116 . 0 0 "[ . 1]" 1
867 2 7 LEU QD 2 8 SER H 5.200 . 6.000 3.977 3.752 4.111 . 0 0 "[ . 1]" 1
868 2 14 GLU HA 2 17 ALA MB 2.800 . 6.000 2.757 2.357 3.718 . 0 0 "[ . 1]" 1
869 2 14 GLU HA 2 14 GLU HG2 2.500 . 6.000 2.884 2.598 3.174 . 0 0 "[ . 1]" 1
870 2 14 GLU HA 2 14 GLU HG3 3.200 . 6.000 3.552 3.031 3.802 . 0 0 "[ . 1]" 1
871 2 9 GLU HA 2 9 GLU HG2 3.700 . 6.000 3.222 2.491 3.804 . 0 0 "[ . 1]" 1
872 2 9 GLU HA 2 9 GLU HG3 3.800 . 6.000 2.738 2.455 3.098 . 0 0 "[ . 1]" 1
873 2 11 TRP HA 2 11 TRP HB3 3.000 . 6.000 2.561 2.540 2.605 . 0 0 "[ . 1]" 1
874 2 5 LEU MD1 2 5 LEU HG 2.300 . 6.000 2.126 2.124 2.128 . 0 0 "[ . 1]" 1
875 2 5 LEU MD2 2 5 LEU HG 2.400 . 6.000 2.129 2.127 2.130 . 0 0 "[ . 1]" 1
876 2 5 LEU HA 2 5 LEU MD1 4.200 . 6.000 3.853 3.823 3.884 . 0 0 "[ . 1]" 1
877 2 7 LEU HA 2 7 LEU HB3 2.500 . 6.000 2.759 2.485 3.024 . 0 0 "[ . 1]" 1
878 2 16 LEU HA 2 16 LEU MD1 4.100 . 6.000 3.846 3.827 3.860 . 0 0 "[ . 1]" 1
879 2 2 VAL HB 2 2 VAL MG1 2.200 . 6.000 2.128 2.123 2.131 . 0 0 "[ . 1]" 1
880 2 5 LEU HA 2 8 SER HB3 3.700 . 6.000 4.138 2.988 4.967 . 0 0 "[ . 1]" 1
881 2 16 LEU MD1 2 17 ALA HA 3.000 . 6.000 5.789 5.552 5.945 . 0 0 "[ . 1]" 1
882 1 30 VAL QG 2 16 LEU HG 3.300 . 6.000 3.453 2.895 4.346 . 0 0 "[ . 1]" 1
883 1 20 THR MG 2 8 SER HB2 3.300 . 4.600 4.430 2.995 5.407 0.807 3 1 "[ + . 1]" 1
884 2 8 SER HA 2 8 SER HB3 2.400 . 6.000 2.599 2.371 3.031 . 0 0 "[ . 1]" 1
885 2 8 SER HA 2 11 TRP HB3 3.500 . 6.000 4.272 3.862 4.686 . 0 0 "[ . 1]" 1
886 2 7 LEU QD 2 10 ASN HB2 3.400 . 6.000 3.911 3.395 4.967 . 0 0 "[ . 1]" 1
887 2 7 LEU QD 2 10 ASN HB3 3.600 . 6.000 3.651 2.548 4.739 . 0 0 "[ . 1]" 1
888 1 20 THR MG 2 7 LEU HB3 3.000 . 6.000 2.736 1.935 3.300 . 0 0 "[ . 1]" 1
889 2 10 ASN HA 2 13 GLN HG3 3.200 . 6.000 4.995 4.197 5.610 . 0 0 "[ . 1]" 1
890 1 24 PHE HB2 2 11 TRP HZ3 4.600 . 6.000 3.902 3.555 4.121 . 0 0 "[ . 1]" 1
891 1 45 LYS HD3 2 11 TRP HH2 3.600 . 6.000 5.397 3.414 5.847 . 0 0 "[ . 1]" 1
892 2 9 GLU HB3 2 12 ALA MB 4.900 . 6.000 5.033 4.053 5.699 . 0 0 "[ . 1]" 1
893 2 16 LEU HA 2 16 LEU HG 3.000 . 6.000 3.092 3.051 3.144 . 0 0 "[ . 1]" 1
894 1 20 THR MG 2 11 TRP HD1 4.700 . 6.000 4.232 3.736 4.892 . 0 0 "[ . 1]" 1
895 2 3 ALA HA 2 6 ALA MB 6.000 . 6.000 2.781 2.228 5.218 . 0 0 "[ . 1]" 1
896 2 2 VAL HA 2 5 LEU HB2 5.500 . 6.000 3.773 2.589 5.212 . 0 0 "[ . 1]" 1
897 1 23 LYS HB3 2 8 SER HB3 3.900 . 6.000 3.426 2.314 4.119 . 0 0 "[ . 1]" 1
898 1 23 LYS HB3 2 8 SER HB2 4.100 . 6.000 3.476 1.869 4.832 0.131 1 0 "[ . 1]" 1
899 1 18 ILE HA 1 18 ILE HG13 3.400 . 6.000 2.258 2.122 2.374 . 0 0 "[ . 1]" 1
900 1 22 VAL QG 1 55 ALA MB 3.900 . 6.000 2.575 2.280 3.174 . 0 0 "[ . 1]" 1
901 1 18 ILE MD 1 51 GLU HG2 2.300 . 6.000 2.557 2.039 3.783 . 0 0 "[ . 1]" 1
902 1 38 ARG QB 1 56 PHE QD 5.000 . 6.000 3.725 3.654 3.825 . 0 0 "[ . 1]" 1
903 1 18 ILE MG 1 55 ALA MB 2.600 . 6.000 2.161 1.854 2.586 . 0 0 "[ . 1]" 1
904 1 24 PHE QE 1 42 LEU QD 4.100 . 6.000 2.717 2.243 2.994 . 0 0 "[ . 1]" 1
905 1 17 LEU MD2 2 11 TRP HZ2 2.500 . 6.000 3.814 2.219 4.626 . 0 0 "[ . 1]" 1
906 1 22 VAL HA 1 22 VAL QG 2.400 . 6.000 2.079 1.982 2.124 . 0 0 "[ . 1]" 1
907 1 29 ARG QB 1 29 ARG HD2 3.000 . 6.000 2.410 2.262 2.790 . 0 0 "[ . 1]" 1
908 1 42 LEU QD 2 11 TRP HZ3 3.400 . 6.000 2.240 1.906 2.479 . 0 0 "[ . 1]" 1
909 1 20 THR MG 2 11 TRP HH2 3.800 . 6.000 3.247 2.995 3.586 . 0 0 "[ . 1]" 1
910 1 20 THR MG 2 11 TRP HE3 4.000 . 6.000 3.727 3.286 4.048 . 0 0 "[ . 1]" 1
911 1 39 ARG HG3 1 52 ILE MG 2.500 . 6.000 3.411 1.925 4.734 . 0 0 "[ . 1]" 1
912 1 22 VAL QG 1 24 PHE HA 2.400 . 6.000 5.883 5.757 5.921 . 0 0 "[ . 1]" 1
913 1 20 THR MG 1 24 PHE HB3 3.500 . 6.000 3.154 2.703 3.920 . 0 0 "[ . 1]" 1
914 1 42 LEU QD 1 45 LYS H 5.100 . 6.000 4.017 3.591 4.255 . 0 0 "[ . 1]" 1
915 1 24 PHE QD 1 25 LEU HB2 4.400 . 6.000 3.995 3.691 4.628 . 0 0 "[ . 1]" 1
916 1 42 LEU HG 1 47 LEU H 4.300 . 6.000 5.131 4.525 5.786 . 0 0 "[ . 1]" 1
917 1 56 PHE HB2 1 61 THR HB 4.200 . 6.000 4.452 3.368 5.147 . 0 0 "[ . 1]" 1
918 1 24 PHE QE 2 15 PHE QE 3.000 . 6.000 3.848 3.722 4.031 . 0 0 "[ . 1]" 1
919 1 20 THR MG 1 24 PHE QD 5.300 . 6.000 4.820 4.591 5.212 . 0 0 "[ . 1]" 1
920 1 20 THR MG 2 11 TRP HZ3 4.300 . 6.000 3.567 2.551 4.077 . 0 0 "[ . 1]" 1
921 1 42 LEU QD 2 11 TRP HH2 2.700 . 6.000 3.538 3.119 3.827 . 0 0 "[ . 1]" 1
922 1 29 ARG HA 2 16 LEU MD2 3.100 . 6.000 5.173 4.900 5.509 . 0 0 "[ . 1]" 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 64
_Distance_constraint_stats_list.Viol_count 97
_Distance_constraint_stats_list.Viol_total 33.675
_Distance_constraint_stats_list.Viol_max 0.094
_Distance_constraint_stats_list.Viol_rms 0.0159
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0347
_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 15 GLU 0.616 0.076 4 0 "[ . 1]"
1 17 LEU 0.018 0.018 2 0 "[ . 1]"
1 18 ILE 0.036 0.023 5 0 "[ . 1]"
1 19 ALA 1.425 0.094 2 0 "[ . 1]"
1 20 THR 0.115 0.065 2 0 "[ . 1]"
1 21 ALA 0.170 0.059 10 0 "[ . 1]"
1 22 VAL 0.200 0.056 4 0 "[ . 1]"
1 23 LYS 0.809 0.094 2 0 "[ . 1]"
1 24 PHE 0.115 0.065 2 0 "[ . 1]"
1 25 LEU 0.152 0.059 10 0 "[ . 1]"
1 26 GLN 0.164 0.056 4 0 "[ . 1]"
1 35 LEU 0.154 0.064 1 0 "[ . 1]"
1 36 ALA 0.052 0.041 1 0 "[ . 1]"
1 37 THR 0.000 0.000 . 0 "[ . 1]"
1 38 ARG 0.101 0.076 1 0 "[ . 1]"
1 39 ARG 0.177 0.064 1 0 "[ . 1]"
1 40 ALA 0.052 0.041 1 0 "[ . 1]"
1 41 PHE 0.205 0.085 8 0 "[ . 1]"
1 42 LEU 0.101 0.076 1 0 "[ . 1]"
1 43 LYS 0.023 0.012 4 0 "[ . 1]"
1 44 LYS 0.000 0.000 . 0 "[ . 1]"
1 45 LYS 0.205 0.085 8 0 "[ . 1]"
1 49 ASP 0.088 0.056 2 0 "[ . 1]"
1 50 GLU 0.010 0.010 8 0 "[ . 1]"
1 52 ILE 0.255 0.093 7 0 "[ . 1]"
1 53 ASP 0.172 0.056 2 0 "[ . 1]"
1 54 MET 0.010 0.010 8 0 "[ . 1]"
1 56 PHE 0.255 0.093 7 0 "[ . 1]"
1 57 GLN 0.084 0.045 6 0 "[ . 1]"
1 58 GLN 0.000 0.000 . 0 "[ . 1]"
2 2 VAL 0.000 0.000 . 0 "[ . 1]"
2 3 ALA 0.060 0.039 1 0 "[ . 1]"
2 4 ASP 0.135 0.075 8 0 "[ . 1]"
2 5 LEU 0.000 0.000 . 0 "[ . 1]"
2 6 ALA 0.019 0.019 5 0 "[ . 1]"
2 7 LEU 0.087 0.039 1 0 "[ . 1]"
2 8 SER 0.137 0.075 8 0 "[ . 1]"
2 9 GLU 0.059 0.055 10 0 "[ . 1]"
2 10 ASN 0.019 0.019 5 0 "[ . 1]"
2 11 TRP 0.055 0.028 4 0 "[ . 1]"
2 12 ALA 0.069 0.036 10 0 "[ . 1]"
2 13 GLN 0.100 0.055 10 0 "[ . 1]"
2 14 GLU 0.050 0.034 4 0 "[ . 1]"
2 15 PHE 0.028 0.028 4 0 "[ . 1]"
2 16 LEU 0.067 0.036 10 0 "[ . 1]"
2 17 ALA 0.041 0.026 9 0 "[ . 1]"
2 18 ALA 0.050 0.034 4 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 GLU O 1 19 ALA H 1.800 . 2.800 1.807 1.764 1.927 0.036 3 0 "[ . 1]" 2
2 1 15 GLU O 1 19 ALA N 2.800 2.800 3.800 2.749 2.724 2.799 0.076 4 0 "[ . 1]" 2
3 1 17 LEU O 1 21 ALA H 1.800 . 2.300 2.001 1.903 2.294 . 0 0 "[ . 1]" 2
4 1 17 LEU O 1 21 ALA N 2.800 2.800 3.300 2.904 2.782 3.222 0.018 2 0 "[ . 1]" 2
5 1 18 ILE O 1 22 VAL H 1.800 . 2.300 1.915 1.824 2.029 . 0 0 "[ . 1]" 2
6 1 18 ILE O 1 22 VAL N 2.800 2.800 3.300 2.852 2.777 2.945 0.023 5 0 "[ . 1]" 2
7 1 19 ALA O 1 23 LYS H 1.800 . 2.300 2.360 2.284 2.394 0.094 2 0 "[ . 1]" 2
8 1 19 ALA O 1 23 LYS N 2.800 2.800 3.300 3.298 3.224 3.362 0.062 2 0 "[ . 1]" 2
9 1 20 THR O 1 24 PHE H 1.800 . 2.300 1.941 1.860 2.146 . 0 0 "[ . 1]" 2
10 1 20 THR O 1 24 PHE N 2.800 2.800 3.300 2.827 2.735 3.010 0.065 2 0 "[ . 1]" 2
11 1 21 ALA O 1 25 LEU H 1.800 . 2.300 1.985 1.802 2.359 0.059 10 0 "[ . 1]" 2
12 1 21 ALA O 1 25 LEU N 2.800 2.800 3.300 2.911 2.760 3.264 0.040 3 0 "[ . 1]" 2
13 1 22 VAL O 1 26 GLN H 1.800 . 2.600 1.951 1.762 2.181 0.038 4 0 "[ . 1]" 2
14 1 22 VAL O 1 26 GLN N 2.800 2.800 3.600 2.836 2.744 2.961 0.056 4 0 "[ . 1]" 2
15 1 35 LEU O 1 39 ARG H 1.800 . 2.800 1.855 1.792 1.936 0.008 1 0 "[ . 1]" 2
16 1 35 LEU O 1 39 ARG N 2.800 2.800 3.800 2.805 2.736 2.887 0.064 1 0 "[ . 1]" 2
17 1 36 ALA O 1 40 ALA H 1.800 . 2.300 2.120 1.857 2.341 0.041 1 0 "[ . 1]" 2
18 1 36 ALA O 1 40 ALA N 2.800 2.800 3.300 3.067 2.817 3.229 . 0 0 "[ . 1]" 2
19 1 37 THR O 1 41 PHE H 1.800 . 2.300 2.161 1.982 2.286 . 0 0 "[ . 1]" 2
20 1 37 THR O 1 41 PHE N 2.800 2.800 3.300 3.005 2.832 3.124 . 0 0 "[ . 1]" 2
21 1 38 ARG O 1 42 LEU H 1.800 . 2.300 2.213 2.016 2.376 0.076 1 0 "[ . 1]" 2
22 1 38 ARG O 1 42 LEU N 2.800 2.800 3.300 3.159 2.952 3.325 0.025 1 0 "[ . 1]" 2
23 1 39 ARG O 1 43 LYS H 1.800 . 2.300 2.126 1.901 2.312 0.012 4 0 "[ . 1]" 2
24 1 39 ARG O 1 43 LYS N 2.800 2.800 3.300 3.026 2.835 3.198 . 0 0 "[ . 1]" 2
25 1 40 ALA O 1 44 LYS H 1.800 . 2.300 2.013 1.904 2.187 . 0 0 "[ . 1]" 2
26 1 40 ALA O 1 44 LYS N 2.800 2.800 3.300 2.938 2.824 3.053 . 0 0 "[ . 1]" 2
27 1 41 PHE O 1 45 LYS H 1.800 . 2.300 2.276 2.107 2.385 0.085 8 0 "[ . 1]" 2
28 1 41 PHE O 1 45 LYS N 2.800 2.800 3.300 2.992 2.916 3.120 . 0 0 "[ . 1]" 2
29 1 49 ASP O 1 53 ASP H 1.800 . 2.300 2.093 1.867 2.356 0.056 2 0 "[ . 1]" 2
30 1 49 ASP O 1 53 ASP N 2.800 2.800 3.300 3.039 2.842 3.300 . 0 0 "[ . 1]" 2
31 1 50 GLU O 1 54 MET H 1.800 . 2.300 2.166 2.007 2.310 0.010 8 0 "[ . 1]" 2
32 1 50 GLU O 1 54 MET N 2.800 2.800 3.300 3.028 2.871 3.172 . 0 0 "[ . 1]" 2
33 1 52 ILE O 1 56 PHE H 1.800 . 2.300 2.218 1.889 2.393 0.093 7 0 "[ . 1]" 2
34 1 52 ILE O 1 56 PHE N 2.800 2.800 3.300 3.150 2.858 3.307 0.007 7 0 "[ . 1]" 2
35 1 53 ASP O 1 57 GLN H 1.800 . 2.300 2.155 1.965 2.345 0.045 6 0 "[ . 1]" 2
36 1 53 ASP O 1 57 GLN N 2.800 2.800 3.300 3.058 2.833 3.299 . 0 0 "[ . 1]" 2
37 1 54 MET O 1 58 GLN H 1.800 . 2.600 2.027 1.880 2.223 . 0 0 "[ . 1]" 2
38 1 54 MET O 1 58 GLN N 2.800 2.800 3.600 2.936 2.811 3.075 . 0 0 "[ . 1]" 2
39 2 2 VAL O 2 6 ALA H 1.800 . 2.600 2.058 1.860 2.469 . 0 0 "[ . 1]" 2
40 2 2 VAL O 2 6 ALA N 2.800 2.800 3.600 3.000 2.826 3.357 . 0 0 "[ . 1]" 2
41 2 3 ALA O 2 7 LEU H 1.800 . 2.600 1.968 1.831 2.490 . 0 0 "[ . 1]" 2
42 2 3 ALA O 2 7 LEU N 2.800 2.800 3.600 2.898 2.761 3.436 0.039 1 0 "[ . 1]" 2
43 2 4 ASP O 2 8 SER H 1.800 . 2.600 2.253 1.963 2.675 0.075 8 0 "[ . 1]" 2
44 2 4 ASP O 2 8 SER N 2.800 2.800 3.600 3.187 2.922 3.625 0.025 8 0 "[ . 1]" 2
45 2 5 LEU O 2 9 GLU H 1.800 . 2.600 2.209 1.866 2.596 . 0 0 "[ . 1]" 2
46 2 5 LEU O 2 9 GLU N 2.800 2.800 3.600 3.106 2.811 3.453 . 0 0 "[ . 1]" 2
47 2 6 ALA O 2 10 ASN H 1.800 . 2.600 2.255 1.942 2.619 0.019 5 0 "[ . 1]" 2
48 2 6 ALA O 2 10 ASN N 2.800 2.800 3.600 3.131 2.858 3.513 . 0 0 "[ . 1]" 2
49 2 7 LEU O 2 11 TRP H 1.800 . 2.600 2.007 1.819 2.228 . 0 0 "[ . 1]" 2
50 2 7 LEU O 2 11 TRP N 2.800 2.800 3.600 2.958 2.773 3.169 0.027 2 0 "[ . 1]" 2
51 2 8 SER O 2 12 ALA H 1.800 . 2.600 2.025 1.816 2.216 . 0 0 "[ . 1]" 2
52 2 8 SER O 2 12 ALA N 2.800 2.800 3.600 2.979 2.798 3.161 0.002 5 0 "[ . 1]" 2
53 2 9 GLU O 2 13 GLN H 1.800 . 2.600 2.012 1.881 2.210 . 0 0 "[ . 1]" 2
54 2 9 GLU O 2 13 GLN N 2.800 2.800 3.600 2.925 2.745 3.125 0.055 10 0 "[ . 1]" 2
55 2 10 ASN O 2 14 GLU H 1.800 . 2.600 2.076 1.851 2.471 . 0 0 "[ . 1]" 2
56 2 10 ASN O 2 14 GLU N 2.800 2.800 3.600 3.028 2.802 3.421 . 0 0 "[ . 1]" 2
57 2 11 TRP O 2 15 PHE H 1.800 . 2.600 2.050 1.861 2.291 . 0 0 "[ . 1]" 2
58 2 11 TRP O 2 15 PHE N 2.800 2.800 3.600 2.968 2.772 3.228 0.028 4 0 "[ . 1]" 2
59 2 12 ALA O 2 16 LEU H 1.800 . 2.600 1.972 1.811 2.190 . 0 0 "[ . 1]" 2
60 2 12 ALA O 2 16 LEU N 2.800 2.800 3.600 2.918 2.764 3.086 0.036 10 0 "[ . 1]" 2
61 2 13 GLN O 2 17 ALA H 1.800 . 2.600 1.967 1.810 2.208 . 0 0 "[ . 1]" 2
62 2 13 GLN O 2 17 ALA N 2.800 2.800 3.600 2.873 2.774 3.086 0.026 9 0 "[ . 1]" 2
63 2 14 GLU O 2 18 ALA H 1.800 . 2.600 2.210 1.847 2.439 . 0 0 "[ . 1]" 2
64 2 14 GLU O 2 18 ALA N 2.800 2.800 3.600 3.009 2.766 3.257 0.034 4 0 "[ . 1]" 2
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