NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452716 |
2w85   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2w85
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 805
_Distance_constraint_stats_list.Viol_count 488
_Distance_constraint_stats_list.Viol_total 704.120
_Distance_constraint_stats_list.Viol_max 0.930
_Distance_constraint_stats_list.Viol_rms 0.0557
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.1443
_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 4.914 0.793 7 4 "[ .*+ -*]"
1 10 ASN 0.000 0.000 . 0 "[ . 1]"
1 11 VAL 0.867 0.408 2 0 "[ . 1]"
1 12 LEU 1.417 0.542 6 1 "[ .+ 1]"
1 13 PRO 1.544 0.542 6 1 "[ .+ 1]"
1 14 ARG 1.058 0.672 7 1 "[ . + 1]"
1 15 GLU 0.038 0.010 1 0 "[ . 1]"
1 16 PRO 4.499 0.927 9 4 "[ * *- +1]"
1 17 LEU 0.000 0.000 . 0 "[ . 1]"
1 18 ILE 3.815 0.927 9 4 "[ * *- +1]"
1 19 ALA 0.063 0.063 9 0 "[ . 1]"
1 20 THR 1.329 0.261 5 0 "[ . 1]"
1 21 ALA 0.574 0.134 3 0 "[ . 1]"
1 22 VAL 2.343 0.752 9 1 "[ . +1]"
1 23 LYS 1.469 0.662 4 1 "[ +. 1]"
1 24 PHE 6.896 0.662 4 1 "[ +. 1]"
1 25 LEU 3.310 0.651 5 3 "[ * + -1]"
1 26 GLN 2.167 0.752 9 1 "[ . +1]"
1 27 ASN 1.273 0.651 5 2 "[ + -1]"
1 28 SER 0.306 0.099 6 0 "[ . 1]"
1 29 ARG 0.772 0.316 4 0 "[ . 1]"
1 30 VAL 4.503 0.629 2 1 "[ + . 1]"
1 31 ARG 1.377 0.178 8 0 "[ . 1]"
1 32 GLN 0.410 0.099 6 0 "[ . 1]"
1 33 SER 0.385 0.109 1 0 "[ . 1]"
1 34 PRO 0.022 0.022 10 0 "[ . 1]"
1 35 LEU 0.756 0.122 2 0 "[ . 1]"
1 36 ALA 0.000 0.000 . 0 "[ . 1]"
1 37 THR 2.601 0.267 5 0 "[ . 1]"
1 38 ARG 4.805 0.742 5 3 "[ *+ -1]"
1 39 ARG 6.722 0.742 5 4 "[-* *+ 1]"
1 40 ALA 0.031 0.031 1 0 "[ . 1]"
1 41 PHE 14.335 0.696 4 3 "[-* +. 1]"
1 42 LEU 1.066 0.441 2 0 "[ . 1]"
1 43 LYS 2.995 0.600 2 2 "[-+ . 1]"
1 44 LYS 1.009 0.167 1 0 "[ . 1]"
1 45 LYS 1.500 0.258 7 0 "[ . 1]"
1 46 GLY 0.000 0.000 . 0 "[ . 1]"
1 47 LEU 2.144 0.631 3 1 "[ + . 1]"
1 48 THR 1.038 0.655 3 1 "[ + . 1]"
1 49 ASP 0.173 0.156 7 0 "[ . 1]"
1 50 GLU 1.342 0.655 3 1 "[ + . 1]"
1 51 GLU 2.369 0.677 6 1 "[ .+ 1]"
1 52 ILE 3.994 0.677 6 3 "[ *-+ 1]"
1 53 ASP 2.859 0.324 3 0 "[ . 1]"
1 54 MET 0.331 0.109 2 0 "[ . 1]"
1 55 ALA 0.624 0.097 9 0 "[ . 1]"
1 56 PHE 7.863 0.542 9 1 "[ . +1]"
1 57 GLN 3.967 0.614 2 1 "[ + . 1]"
1 58 GLN 1.267 0.614 2 1 "[ + . 1]"
1 59 SER 0.558 0.108 2 0 "[ . 1]"
1 60 GLY 0.000 0.000 . 0 "[ . 1]"
1 61 THR 0.562 0.122 9 0 "[ . 1]"
1 62 ALA 0.267 0.094 5 0 "[ . 1]"
1 63 ALA 0.330 0.177 10 0 "[ . 1]"
1 64 ASP 0.255 0.177 10 0 "[ . 1]"
2 2 GLN 0.257 0.257 7 0 "[ . 1]"
2 3 GLU 4.461 0.930 5 4 "[ * +- *]"
2 4 LYS 1.840 0.636 10 3 "[ -* +]"
2 5 PHE 3.633 0.592 2 1 "[ + . 1]"
2 6 PHE 4.454 0.930 5 3 "[ - +* 1]"
2 7 GLN 1.076 0.201 1 0 "[ . 1]"
2 8 GLU 1.349 0.592 2 1 "[ + . 1]"
2 9 LEU 0.029 0.029 7 0 "[ . 1]"
2 10 PHE 3.777 0.696 4 1 "[ +. 1]"
2 11 ASP 0.000 0.000 . 0 "[ . 1]"
2 12 SER 0.439 0.079 7 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 9 GLU H 1 10 ASN H 5.300 . 6.000 2.450 2.129 3.075 . 0 0 "[ . 1]" 1
2 1 10 ASN H 1 11 VAL H 4.300 . 6.000 2.799 1.948 4.292 . 0 0 "[ . 1]" 1
3 1 11 VAL H 1 12 LEU H 3.000 . 4.200 3.203 1.868 4.390 0.190 7 0 "[ . 1]" 1
4 1 14 ARG H 1 15 GLU H 4.400 . 6.000 4.334 3.851 4.578 . 0 0 "[ . 1]" 1
5 1 17 LEU H 1 18 ILE H 3.000 . 4.100 2.540 2.443 2.622 . 0 0 "[ . 1]" 1
6 1 17 LEU H 1 19 ALA H 4.700 . 6.000 4.124 3.922 4.416 . 0 0 "[ . 1]" 1
7 1 15 GLU H 1 18 ILE H 6.000 . 6.000 5.082 4.787 5.438 . 0 0 "[ . 1]" 1
8 1 15 GLU H 1 17 LEU H 5.100 . 6.000 4.173 3.860 4.539 . 0 0 "[ . 1]" 1
9 1 18 ILE H 1 19 ALA H 3.000 . 4.100 2.688 2.601 2.761 . 0 0 "[ . 1]" 1
10 1 18 ILE H 1 20 THR H 2.000 . 6.000 4.124 3.836 4.289 . 0 0 "[ . 1]" 1
11 1 20 THR H 1 22 VAL H 5.300 . 6.000 4.279 4.124 4.426 . 0 0 "[ . 1]" 1
12 1 20 THR H 1 21 ALA H 3.000 . 4.100 2.644 2.574 2.725 . 0 0 "[ . 1]" 1
13 1 21 ALA H 1 22 VAL H 3.100 . 4.300 2.704 2.641 2.754 . 0 0 "[ . 1]" 1
14 1 22 VAL H 1 23 LYS H 2.900 . 4.000 2.729 2.598 2.815 . 0 0 "[ . 1]" 1
15 1 23 LYS H 1 24 PHE H 2.900 . 3.900 2.686 2.521 2.816 . 0 0 "[ . 1]" 1
16 1 23 LYS H 1 25 LEU H 4.000 . 6.000 4.262 4.127 4.337 . 0 0 "[ . 1]" 1
17 1 24 PHE H 1 25 LEU H 3.300 . 4.600 2.751 2.597 2.853 . 0 0 "[ . 1]" 1
18 1 25 LEU H 1 26 GLN H 3.400 . 4.800 2.867 2.728 2.989 . 0 0 "[ . 1]" 1
19 1 26 GLN H 1 27 ASN H 2.900 . 4.000 2.880 2.529 3.084 . 0 0 "[ . 1]" 1
20 1 28 SER H 1 32 GLN H 3.100 . 6.000 5.970 5.744 6.099 0.099 6 0 "[ . 1]" 1
21 1 30 VAL H 1 31 ARG H 1.800 . 6.000 2.687 2.485 2.831 . 0 0 "[ . 1]" 1
22 1 27 ASN H 1 31 ARG H 4.400 . 6.000 4.688 4.287 5.025 . 0 0 "[ . 1]" 1
23 1 31 ARG H 1 32 GLN H 2.700 . 3.600 2.528 2.361 2.663 . 0 0 "[ . 1]" 1
24 1 36 ALA H 1 37 THR H 3.300 . 4.700 2.848 2.791 2.978 . 0 0 "[ . 1]" 1
25 1 37 THR H 1 38 ARG H 2.900 . 4.000 2.643 2.516 2.850 . 0 0 "[ . 1]" 1
26 1 37 THR H 1 41 PHE H 5.100 . 6.000 5.919 5.842 5.994 . 0 0 "[ . 1]" 1
27 1 39 ARG H 1 41 PHE H 3.000 . 4.200 3.892 3.774 4.131 . 0 0 "[ . 1]" 1
28 1 38 ARG H 1 39 ARG H 3.000 . 4.100 2.818 2.658 2.954 . 0 0 "[ . 1]" 1
29 1 37 THR H 1 39 ARG H 4.200 . 6.000 4.318 4.051 4.562 . 0 0 "[ . 1]" 1
30 1 39 ARG H 1 41 PHE QD 4.800 . 6.000 5.940 5.729 6.092 0.092 10 0 "[ . 1]" 1
31 1 40 ALA H 1 41 PHE H 2.800 . 3.800 2.607 2.514 2.680 . 0 0 "[ . 1]" 1
32 1 38 ARG H 1 41 PHE H 3.900 . 5.800 4.713 4.638 4.814 . 0 0 "[ . 1]" 1
33 1 41 PHE H 1 42 LEU H 3.900 . 5.800 3.036 2.810 3.175 . 0 0 "[ . 1]" 1
34 1 42 LEU H 1 44 LYS H 5.300 . 6.000 4.223 4.100 4.372 . 0 0 "[ . 1]" 1
35 1 40 ALA H 1 42 LEU H 3.400 . 4.800 4.640 4.330 4.831 0.031 1 0 "[ . 1]" 1
36 1 42 LEU H 1 43 LYS H 2.900 . 3.900 2.731 2.600 2.856 . 0 0 "[ . 1]" 1
37 1 43 LYS H 1 44 LYS H 3.000 . 4.200 2.656 2.562 2.759 . 0 0 "[ . 1]" 1
38 1 43 LYS H 1 45 LYS H 5.400 . 6.000 3.943 3.772 4.070 . 0 0 "[ . 1]" 1
39 1 44 LYS H 1 45 LYS H 2.900 . 3.900 2.485 2.428 2.573 . 0 0 "[ . 1]" 1
40 1 45 LYS H 1 46 GLY H 2.700 . 3.600 2.504 2.408 2.610 . 0 0 "[ . 1]" 1
41 1 44 LYS H 1 46 GLY H 5.800 . 6.000 4.100 3.908 4.332 . 0 0 "[ . 1]" 1
42 1 45 LYS H 1 47 LEU H 4.400 . 6.000 4.143 3.660 4.590 . 0 0 "[ . 1]" 1
43 1 47 LEU H 1 48 THR H 5.000 . 6.000 4.342 4.251 4.466 . 0 0 "[ . 1]" 1
44 1 48 THR H 1 52 ILE H 5.500 . 6.000 4.771 4.419 5.198 . 0 0 "[ . 1]" 1
45 1 49 ASP H 1 50 GLU H 3.100 . 4.300 2.851 2.758 2.980 . 0 0 "[ . 1]" 1
46 1 48 THR H 1 49 ASP H 6.000 . 6.000 4.565 4.506 4.631 . 0 0 "[ . 1]" 1
47 1 51 GLU H 1 55 ALA H 2.300 . 6.000 6.018 5.991 6.041 0.041 8 0 "[ . 1]" 1
48 1 52 ILE H 1 53 ASP H 4.400 . 6.000 2.658 2.573 2.801 . 0 0 "[ . 1]" 1
49 1 54 MET H 1 55 ALA H 3.200 . 6.000 2.728 2.638 2.804 . 0 0 "[ . 1]" 1
50 1 53 ASP H 1 54 MET H 2.200 . 2.800 2.481 2.441 2.542 . 0 0 "[ . 1]" 1
51 1 55 ALA H 1 56 PHE H 3.200 . 6.000 2.647 2.548 2.796 . 0 0 "[ . 1]" 1
52 1 56 PHE H 1 57 GLN H 3.200 . 4.400 2.604 2.521 2.728 . 0 0 "[ . 1]" 1
53 1 55 ALA H 1 57 GLN H 3.300 . 4.700 3.982 3.781 4.238 . 0 0 "[ . 1]" 1
54 1 55 ALA H 1 59 SER H 2.700 . 6.000 6.034 5.912 6.097 0.097 9 0 "[ . 1]" 1
55 1 57 GLN H 1 59 SER H 4.600 . 6.000 3.902 3.764 4.089 . 0 0 "[ . 1]" 1
56 1 59 SER H 1 60 GLY H 3.200 . 4.500 2.503 2.399 2.630 . 0 0 "[ . 1]" 1
57 1 60 GLY H 1 61 THR H 3.400 . 4.800 2.624 2.388 2.948 . 0 0 "[ . 1]" 1
58 1 60 GLY H 1 62 ALA H 5.400 . 6.000 5.024 4.314 5.972 . 0 0 "[ . 1]" 1
59 1 61 THR H 1 62 ALA H 3.400 . 4.800 2.920 1.906 4.144 0.094 5 0 "[ . 1]" 1
60 1 62 ALA H 1 63 ALA H 3.300 . 6.000 3.225 2.130 4.382 . 0 0 "[ . 1]" 1
61 1 63 ALA H 1 64 ASP H 3.100 . 4.300 3.361 2.296 4.477 0.177 10 0 "[ . 1]" 1
62 1 21 ALA HA 1 21 ALA MB 2.200 . 2.800 2.126 2.120 2.132 . 0 0 "[ . 1]" 1
63 1 36 ALA HA 1 36 ALA MB 2.100 . 2.700 2.130 2.127 2.134 . 0 0 "[ . 1]" 1
64 1 40 ALA HA 1 40 ALA MB 2.000 . 6.000 2.131 2.128 2.135 . 0 0 "[ . 1]" 1
65 1 55 ALA HA 1 55 ALA MB 2.300 . 3.000 2.130 2.127 2.135 . 0 0 "[ . 1]" 1
66 1 62 ALA HA 1 62 ALA MB 2.100 . 2.700 2.129 2.120 2.136 . 0 0 "[ . 1]" 1
67 1 63 ALA HA 1 63 ALA MB 2.100 . 2.700 2.130 2.119 2.135 . 0 0 "[ . 1]" 1
68 1 20 THR HA 1 20 THR MG 2.200 . 6.000 2.352 2.326 2.461 . 0 0 "[ . 1]" 1
69 1 20 THR HB 1 20 THR MG 2.200 . 6.000 2.136 2.132 2.140 . 0 0 "[ . 1]" 1
70 1 61 THR HA 1 61 THR MG 2.300 . 6.000 2.378 2.249 3.220 . 0 0 "[ . 1]" 1
71 1 61 THR HB 1 61 THR MG 2.100 . 2.700 2.132 2.127 2.136 . 0 0 "[ . 1]" 1
72 1 37 THR HA 1 37 THR MG 2.600 . 3.400 2.416 2.372 2.444 . 0 0 "[ . 1]" 1
73 1 16 PRO HB3 1 16 PRO HG2 2.600 . 3.400 2.971 2.959 2.982 . 0 0 "[ . 1]" 1
74 1 16 PRO HB2 1 16 PRO HG2 1.700 . 2.200 2.282 2.269 2.296 0.096 9 0 "[ . 1]" 1
75 1 48 THR HA 1 48 THR HB 2.800 . 6.000 2.704 2.341 3.007 . 0 0 "[ . 1]" 1
76 1 48 THR HA 1 48 THR MG 2.300 . 2.900 2.270 2.147 2.585 . 0 0 "[ . 1]" 1
77 1 61 THR HA 1 61 THR HB 2.700 . 3.600 2.564 2.425 3.008 . 0 0 "[ . 1]" 1
78 1 24 PHE HA 1 24 PHE QB . . 3.500 2.355 2.335 2.370 . 0 0 "[ . 1]" 1
79 1 41 PHE HA 1 41 PHE HB2 2.900 . 6.000 2.400 2.350 2.476 . 0 0 "[ . 1]" 1
80 1 59 SER HA 1 59 SER HB3 3.000 . 6.000 2.597 2.367 3.029 . 0 0 "[ . 1]" 1
81 1 59 SER HA 1 59 SER HB2 2.500 . 3.300 2.673 2.480 3.028 . 0 0 "[ . 1]" 1
82 1 34 PRO HB2 1 34 PRO HD3 3.700 . 6.000 3.870 3.854 3.892 . 0 0 "[ . 1]" 1
83 1 34 PRO HA 1 34 PRO HD3 3.200 . 6.000 3.451 3.141 3.727 . 0 0 "[ . 1]" 1
84 1 13 PRO HA 1 13 PRO HB3 2.600 . 3.400 2.294 2.273 2.321 . 0 0 "[ . 1]" 1
85 1 16 PRO HB3 1 16 PRO HG3 2.300 . 6.000 2.302 2.290 2.320 . 0 0 "[ . 1]" 1
86 1 16 PRO HB2 1 16 PRO HG3 2.100 . 2.700 2.685 2.654 2.709 0.009 1 0 "[ . 1]" 1
87 1 16 PRO HB2 1 16 PRO QD 3.300 . 4.700 3.517 3.507 3.542 . 0 0 "[ . 1]" 1
88 1 16 PRO QD 1 16 PRO HG3 2.500 . 3.100 2.187 2.180 2.191 . 0 0 "[ . 1]" 1
89 1 16 PRO HB3 1 16 PRO QD 4.000 . 6.000 2.905 2.873 2.947 . 0 0 "[ . 1]" 1
90 1 16 PRO HA 1 16 PRO HG2 3.900 . 5.800 3.871 3.840 3.893 . 0 0 "[ . 1]" 1
91 1 16 PRO HA 1 16 PRO HB3 2.700 . 3.600 2.272 2.258 2.314 . 0 0 "[ . 1]" 1
92 1 34 PRO HA 1 34 PRO HB3 2.800 . 3.800 2.288 2.249 2.318 . 0 0 "[ . 1]" 1
93 1 34 PRO HA 1 34 PRO HG3 3.700 . 5.400 3.309 2.854 3.984 . 0 0 "[ . 1]" 1
94 1 34 PRO HD3 1 34 PRO HG3 2.700 . 6.000 2.310 2.290 2.332 . 0 0 "[ . 1]" 1
95 1 11 VAL HA 1 11 VAL QG 2.700 . 3.600 2.188 2.112 2.290 . 0 0 "[ . 1]" 1
96 1 11 VAL HA 1 11 VAL HB 3.000 . 4.100 2.780 2.455 3.030 . 0 0 "[ . 1]" 1
97 1 22 VAL HA 1 22 VAL MG2 2.900 . 3.900 2.359 2.277 2.453 . 0 0 "[ . 1]" 1
98 1 22 VAL MG1 1 22 VAL MG2 2.700 . 6.000 2.083 2.078 2.090 . 0 0 "[ . 1]" 1
99 1 30 VAL HB 1 30 VAL MG2 2.400 . 6.000 2.130 2.125 2.136 . 0 0 "[ . 1]" 1
100 1 30 VAL HA 1 30 VAL MG1 2.700 . 6.000 2.376 2.325 2.533 . 0 0 "[ . 1]" 1
101 1 30 VAL MG1 1 30 VAL MG2 2.300 . 3.000 2.074 2.052 2.086 . 0 0 "[ . 1]" 1
102 1 30 VAL HA 1 30 VAL MG2 2.600 . 3.400 2.351 2.222 2.390 . 0 0 "[ . 1]" 1
103 1 18 ILE MD 1 18 ILE HG13 2.200 . 2.800 2.120 2.117 2.122 . 0 0 "[ . 1]" 1
104 1 18 ILE HG13 1 18 ILE MG 2.900 . 4.000 2.778 2.339 3.208 . 0 0 "[ . 1]" 1
105 1 18 ILE HG12 1 18 ILE MG 2.800 . 3.800 2.789 2.362 3.207 . 0 0 "[ . 1]" 1
106 1 18 ILE HA 1 18 ILE MG 2.500 . 3.300 2.392 2.359 2.435 . 0 0 "[ . 1]" 1
107 1 18 ILE HA 1 18 ILE HG12 3.300 . 4.700 2.841 2.509 3.147 . 0 0 "[ . 1]" 1
108 1 18 ILE HA 1 18 ILE HG13 4.400 . 6.000 3.397 3.005 3.772 . 0 0 "[ . 1]" 1
109 1 18 ILE HB 1 18 ILE HG13 2.800 . 3.800 2.470 2.453 2.489 . 0 0 "[ . 1]" 1
110 1 18 ILE HB 1 18 ILE MD 2.900 . 3.900 2.824 2.385 3.237 . 0 0 "[ . 1]" 1
111 1 18 ILE HB 1 18 ILE MG 2.300 . 2.900 2.129 2.127 2.131 . 0 0 "[ . 1]" 1
112 1 18 ILE MD 1 18 ILE MG 2.700 . 3.600 1.962 1.921 2.003 . 0 0 "[ . 1]" 1
113 1 54 MET HB2 1 54 MET HG3 2.400 . 3.100 2.879 2.388 3.010 . 0 0 "[ . 1]" 1
114 1 54 MET HA 1 54 MET HG3 3.500 . 6.000 3.140 2.875 3.710 . 0 0 "[ . 1]" 1
115 1 54 MET HA 1 54 MET HB2 2.300 . 3.000 2.576 2.410 3.006 0.006 1 0 "[ . 1]" 1
116 1 54 MET HA 1 54 MET HB3 2.400 . 6.000 2.935 2.561 3.028 . 0 0 "[ . 1]" 1
117 1 54 MET HB2 1 54 MET ME 3.500 . 5.000 2.936 2.080 3.735 . 0 0 "[ . 1]" 1
118 1 54 MET ME 1 54 MET HG3 3.000 . 6.000 2.848 2.434 3.406 . 0 0 "[ . 1]" 1
119 1 54 MET HA 1 54 MET ME 3.100 . 6.000 1.648 1.347 2.459 . 0 0 "[ . 1]" 1
120 1 17 LEU HB3 1 17 LEU QD 3.000 . 3.100 2.196 2.081 2.307 . 0 0 "[ . 1]" 1
121 1 17 LEU HA 1 17 LEU QD 3.600 . 6.000 2.385 1.817 3.391 . 0 0 "[ . 1]" 1
122 1 35 LEU MD1 1 35 LEU HG 3.300 . 4.600 2.126 2.121 2.130 . 0 0 "[ . 1]" 1
123 1 35 LEU MD2 1 35 LEU HG 4.300 . 6.000 2.125 2.121 2.131 . 0 0 "[ . 1]" 1
124 1 35 LEU HA 1 35 LEU HG 3.600 . 6.000 2.547 2.330 2.866 . 0 0 "[ . 1]" 1
125 1 35 LEU HA 1 35 LEU HB3 2.200 . 2.800 2.534 2.478 2.616 . 0 0 "[ . 1]" 1
126 1 35 LEU HB3 1 35 LEU MD1 2.600 . 6.000 2.945 2.422 3.212 . 0 0 "[ . 1]" 1
127 1 35 LEU HB3 1 35 LEU MD2 3.100 . 6.000 2.226 2.112 2.318 . 0 0 "[ . 1]" 1
128 1 35 LEU HA 1 35 LEU MD1 2.900 . 6.000 3.351 2.904 3.866 . 0 0 "[ . 1]" 1
129 1 35 LEU HA 1 35 LEU MD2 3.200 . 4.500 3.112 1.976 3.769 . 0 0 "[ . 1]" 1
130 1 23 LYS HA 1 23 LYS HB3 2.600 . 6.000 2.855 2.437 3.027 . 0 0 "[ . 1]" 1
131 1 23 LYS HB3 1 23 LYS HG2 2.300 . 6.000 2.774 2.270 2.983 . 0 0 "[ . 1]" 1
132 1 23 LYS HB3 1 23 LYS HG3 2.200 . 6.000 2.621 2.553 2.679 . 0 0 "[ . 1]" 1
133 1 23 LYS HA 1 23 LYS HG3 3.300 . 4.600 3.675 3.609 3.766 . 0 0 "[ . 1]" 1
134 1 23 LYS HE3 1 23 LYS HG2 4.000 . 6.000 3.754 2.475 4.246 . 0 0 "[ . 1]" 1
135 1 23 LYS HA 1 23 LYS HG2 3.100 . 4.300 3.112 2.585 4.272 . 0 0 "[ . 1]" 1
136 1 23 LYS HA 1 23 LYS QD 3.200 . 6.000 3.655 3.563 3.767 . 0 0 "[ . 1]" 1
137 1 23 LYS HE3 1 23 LYS HG3 3.400 . 6.000 3.577 2.733 3.760 . 0 0 "[ . 1]" 1
138 1 23 LYS HA 1 23 LYS HE3 4.700 . 6.000 5.797 4.884 6.185 0.185 8 0 "[ . 1]" 1
139 1 25 LEU HB3 1 25 LEU HG 2.800 . 6.000 2.621 2.294 3.019 . 0 0 "[ . 1]" 1
140 1 25 LEU HB2 1 25 LEU QD 2.900 . 3.900 2.192 2.078 2.409 . 0 0 "[ . 1]" 1
141 1 25 LEU MD1 1 25 LEU MD2 2.500 . 3.300 2.079 2.074 2.090 . 0 0 "[ . 1]" 1
142 1 25 LEU HA 1 25 LEU QD 2.900 . 4.000 2.040 1.899 2.178 . 0 0 "[ . 1]" 1
143 1 25 LEU HA 1 25 LEU HG 3.700 . 5.400 3.047 2.677 3.666 . 0 0 "[ . 1]" 1
144 1 47 LEU HA 1 47 LEU HB3 2.700 . 3.600 2.589 2.295 3.015 . 0 0 "[ . 1]" 1
145 1 47 LEU HA 1 47 LEU HG 2.700 . 3.600 3.023 2.358 3.659 0.059 2 0 "[ . 1]" 1
146 1 47 LEU HB2 1 47 LEU QD 2.800 . 3.800 2.104 2.075 2.116 . 0 0 "[ . 1]" 1
147 1 47 LEU MD1 1 47 LEU MD2 2.400 . 6.000 2.091 2.075 2.100 . 0 0 "[ . 1]" 1
148 1 47 LEU HB3 1 47 LEU QD 3.100 . 3.300 2.161 2.116 2.228 . 0 0 "[ . 1]" 1
149 1 47 LEU HA 1 47 LEU QD 3.200 . 4.500 2.874 1.994 3.428 . 0 0 "[ . 1]" 1
150 1 43 LYS HA 1 43 LYS HD3 3.100 . 6.000 3.427 2.100 4.476 . 0 0 "[ . 1]" 1
151 1 43 LYS HA 1 43 LYS QG 3.500 . 6.000 2.371 2.309 2.401 . 0 0 "[ . 1]" 1
152 1 43 LYS HD3 1 43 LYS QG 2.100 . 2.600 2.374 2.320 2.433 . 0 0 "[ . 1]" 1
153 1 43 LYS HB3 1 43 LYS QE 3.500 . 5.100 3.974 3.496 4.538 . 0 0 "[ . 1]" 1
154 1 43 LYS HA 1 43 LYS HB3 2.200 . 6.000 2.655 2.452 2.835 . 0 0 "[ . 1]" 1
155 1 43 LYS HB3 1 43 LYS QG 2.000 . 2.500 2.221 2.153 2.355 . 0 0 "[ . 1]" 1
156 1 43 LYS HA 1 43 LYS QE 2.900 . 6.000 4.178 3.572 4.863 . 0 0 "[ . 1]" 1
157 1 45 LYS HA 1 45 LYS HD3 3.400 . 4.900 3.298 2.352 4.072 . 0 0 "[ . 1]" 1
158 1 45 LYS HA 1 45 LYS HD2 4.400 . 6.000 3.387 2.367 3.854 . 0 0 "[ . 1]" 1
159 1 9 GLU HB3 1 9 GLU HG3 1.800 . 2.200 2.651 2.311 2.993 0.793 7 4 "[ .*+ -*]" 1
160 1 26 GLN HB3 1 26 GLN HG3 3.000 . 4.100 3.005 2.997 3.011 . 0 0 "[ . 1]" 1
161 1 26 GLN HA 1 26 GLN HB3 2.300 . 3.000 2.488 2.430 2.567 . 0 0 "[ . 1]" 1
162 1 26 GLN HA 1 26 GLN HB2 3.000 . 4.100 3.012 2.996 3.022 . 0 0 "[ . 1]" 1
163 1 26 GLN HA 1 26 GLN HG2 2.600 . 3.400 2.502 2.404 2.586 . 0 0 "[ . 1]" 1
164 1 26 GLN HA 1 26 GLN HG3 3.200 . 4.500 2.994 2.813 3.296 . 0 0 "[ . 1]" 1
165 1 26 GLN HB2 1 26 GLN HG3 2.300 . 6.000 2.447 2.351 2.512 . 0 0 "[ . 1]" 1
166 1 32 GLN HB2 1 32 GLN HG3 2.700 . 6.000 2.549 2.368 3.009 . 0 0 "[ . 1]" 1
167 1 32 GLN HB2 1 32 GLN HG2 2.600 . 3.400 2.798 2.399 3.010 . 0 0 "[ . 1]" 1
168 1 32 GLN HA 1 32 GLN HG2 3.100 . 6.000 3.041 2.483 3.697 . 0 0 "[ . 1]" 1
169 1 32 GLN HA 1 32 GLN HG3 3.100 . 6.000 3.006 2.501 3.739 . 0 0 "[ . 1]" 1
170 1 32 GLN HB3 1 32 GLN HG3 2.400 . 6.000 2.800 2.404 3.012 . 0 0 "[ . 1]" 1
171 1 32 GLN HA 1 32 GLN HB2 2.600 . 3.400 2.815 2.464 3.027 . 0 0 "[ . 1]" 1
172 1 32 GLN HA 1 32 GLN HB3 2.300 . 3.000 2.694 2.431 3.029 0.029 10 0 "[ . 1]" 1
173 1 49 ASP HA 1 49 ASP HB3 2.700 . 3.600 2.568 2.364 3.007 . 0 0 "[ . 1]" 1
174 1 51 GLU HA 1 51 GLU HB2 2.700 . 6.000 2.970 2.639 3.024 . 0 0 "[ . 1]" 1
175 1 51 GLU HB2 1 51 GLU HG2 2.500 . 6.000 2.628 2.416 3.014 . 0 0 "[ . 1]" 1
176 1 51 GLU HA 1 51 GLU HG3 3.700 . 5.400 3.039 2.387 3.773 . 0 0 "[ . 1]" 1
177 1 51 GLU HA 1 51 GLU HG2 2.500 . 3.300 3.126 2.549 3.653 0.353 10 0 "[ . 1]" 1
178 1 58 GLN HA 1 58 GLN HG2 2.600 . 3.500 2.934 2.444 3.525 0.025 10 0 "[ . 1]" 1
179 1 58 GLN HA 1 58 GLN HG3 2.600 . 6.000 3.103 2.587 3.741 . 0 0 "[ . 1]" 1
180 1 58 GLN QB 1 58 GLN HG3 2.500 . 6.000 2.266 2.157 2.334 . 0 0 "[ . 1]" 1
181 1 58 GLN QB 1 58 GLN HG2 2.000 . 2.500 2.335 2.155 2.395 . 0 0 "[ . 1]" 1
182 1 14 ARG HA 1 14 ARG HB2 3.000 . 6.000 3.021 3.009 3.030 . 0 0 "[ . 1]" 1
183 1 14 ARG HB2 1 14 ARG HD3 4.000 . 6.000 3.030 2.385 3.771 . 0 0 "[ . 1]" 1
184 1 14 ARG HB3 1 14 ARG HD2 3.600 . 5.300 3.125 2.416 3.766 . 0 0 "[ . 1]" 1
185 1 14 ARG HB3 1 14 ARG HD3 3.500 . 5.000 2.915 2.394 3.727 . 0 0 "[ . 1]" 1
186 1 14 ARG HA 1 14 ARG HD2 4.400 . 6.000 4.473 3.054 4.885 . 0 0 "[ . 1]" 1
187 1 14 ARG HA 1 14 ARG HG3 2.400 . 3.100 3.108 2.914 3.772 0.672 7 1 "[ . + 1]" 1
188 1 14 ARG HA 1 14 ARG HB3 2.400 . 3.100 2.508 2.459 2.579 . 0 0 "[ . 1]" 1
189 1 14 ARG HB2 1 14 ARG HD2 2.800 . 3.800 3.100 2.442 3.717 . 0 0 "[ . 1]" 1
190 1 14 ARG HB3 1 14 ARG HG3 2.600 . 3.400 2.953 2.461 3.013 . 0 0 "[ . 1]" 1
191 1 14 ARG HD2 1 14 ARG HG3 2.900 . 3.900 2.530 2.365 3.014 . 0 0 "[ . 1]" 1
192 1 38 ARG HB2 1 38 ARG HD3 2.900 . 6.000 3.698 3.368 3.855 . 0 0 "[ . 1]" 1
193 1 38 ARG HB2 1 38 ARG HD2 3.000 . 6.000 3.442 2.843 4.221 . 0 0 "[ . 1]" 1
194 1 38 ARG HD3 1 38 ARG HG3 2.900 . 6.000 2.471 2.354 2.571 . 0 0 "[ . 1]" 1
195 1 38 ARG HB3 1 38 ARG HG3 2.800 . 6.000 2.877 2.455 3.012 . 0 0 "[ . 1]" 1
196 1 38 ARG HA 1 38 ARG HG3 3.500 . 6.000 3.342 2.843 3.791 . 0 0 "[ . 1]" 1
197 1 38 ARG HA 1 38 ARG HD3 4.400 . 6.000 4.340 2.840 4.874 . 0 0 "[ . 1]" 1
198 1 38 ARG HA 1 38 ARG HD2 4.100 . 6.000 4.103 3.784 4.325 . 0 0 "[ . 1]" 1
199 1 38 ARG HB3 1 38 ARG HD2 3.100 . 4.300 2.763 2.319 3.641 . 0 0 "[ . 1]" 1
200 1 38 ARG HA 1 38 ARG HB3 2.700 . 3.600 2.486 2.383 2.646 . 0 0 "[ . 1]" 1
201 1 38 ARG HA 1 38 ARG HB2 2.600 . 3.500 3.007 2.970 3.021 . 0 0 "[ . 1]" 1
202 1 39 ARG HA 1 39 ARG QD 3.200 . 6.000 3.141 1.974 3.962 . 0 0 "[ . 1]" 1
203 1 39 ARG HB3 1 39 ARG QD 2.900 . 6.000 2.774 2.354 3.500 . 0 0 "[ . 1]" 1
204 1 39 ARG HA 1 39 ARG HG3 2.800 . 6.000 2.949 1.994 3.823 . 0 0 "[ . 1]" 1
205 1 39 ARG HA 1 39 ARG HB3 2.600 . 6.000 2.551 2.385 2.745 . 0 0 "[ . 1]" 1
206 1 39 ARG HB2 1 39 ARG QD 2.900 . 3.900 2.839 2.168 3.468 . 0 0 "[ . 1]" 1
207 1 39 ARG HA 1 39 ARG HB2 2.600 . 3.500 2.995 2.922 3.024 . 0 0 "[ . 1]" 1
208 1 42 LEU HA 1 42 LEU QD 4.100 . 6.000 2.590 1.902 3.384 0.098 4 0 "[ . 1]" 1
209 1 42 LEU HB3 1 42 LEU QD 3.500 . 5.000 2.200 2.101 2.239 . 0 0 "[ . 1]" 1
210 1 42 LEU HB2 1 42 LEU QD 3.200 . 4.500 2.213 2.114 2.475 . 0 0 "[ . 1]" 1
211 1 42 LEU HA 1 42 LEU HB3 2.900 . 3.900 2.553 2.237 2.700 . 0 0 "[ . 1]" 1
212 1 31 ARG HA 1 31 ARG HB3 2.500 . 6.000 2.550 2.406 3.024 . 0 0 "[ . 1]" 1
213 1 31 ARG HA 1 31 ARG HB2 2.500 . 6.000 2.974 2.542 3.032 . 0 0 "[ . 1]" 1
214 1 31 ARG HB3 1 31 ARG HD2 3.100 . 4.300 2.916 2.351 3.778 . 0 0 "[ . 1]" 1
215 1 31 ARG HD2 1 31 ARG HG3 2.600 . 3.400 2.834 2.375 3.017 . 0 0 "[ . 1]" 1
216 1 31 ARG HD2 1 31 ARG HG2 3.000 . 4.100 2.424 2.364 2.503 . 0 0 "[ . 1]" 1
217 1 31 ARG HA 1 31 ARG HD2 3.300 . 4.600 3.888 2.099 4.726 0.126 10 0 "[ . 1]" 1
218 1 44 LYS HB2 1 44 LYS HE3 5.100 . 6.000 4.636 2.866 5.513 . 0 0 "[ . 1]" 1
219 1 44 LYS HA 1 44 LYS HB2 2.500 . 6.000 3.018 2.992 3.028 . 0 0 "[ . 1]" 1
220 1 44 LYS HB2 1 44 LYS QG 3.600 . 5.200 2.234 2.166 2.391 . 0 0 "[ . 1]" 1
221 1 44 LYS HA 1 44 LYS QG 3.400 . 4.900 2.689 2.390 2.943 . 0 0 "[ . 1]" 1
222 1 44 LYS HB2 1 44 LYS HD3 3.000 . 6.000 3.462 2.390 4.242 . 0 0 "[ . 1]" 1
223 1 44 LYS HD3 1 44 LYS QG 2.900 . 3.900 2.350 2.172 2.511 . 0 0 "[ . 1]" 1
224 1 44 LYS HA 1 44 LYS HE3 6.000 . 6.000 4.369 3.592 6.092 0.092 6 0 "[ . 1]" 1
225 1 44 LYS HA 1 44 LYS HD3 3.900 . 6.000 3.096 1.835 4.651 . 0 0 "[ . 1]" 1
226 1 13 PRO HD3 1 13 PRO QG 2.800 . 3.800 2.203 2.180 2.246 . 0 0 "[ . 1]" 1
227 1 13 PRO HB3 1 13 PRO HD3 2.900 . 4.000 3.585 2.935 4.074 0.074 6 0 "[ . 1]" 1
228 1 15 GLU HA 1 15 GLU HG3 3.000 . 4.100 2.961 2.562 3.206 . 0 0 "[ . 1]" 1
229 1 48 THR MG 1 50 GLU HG3 4.500 . 6.000 4.806 3.480 6.655 0.655 3 1 "[ + . 1]" 1
230 1 9 GLU HG3 1 11 VAL QG 3.600 . 6.000 4.570 2.573 6.408 0.408 2 0 "[ . 1]" 1
231 1 47 LEU QD 1 50 GLU HG3 4.400 . 6.000 5.731 5.102 6.631 0.631 3 1 "[ + . 1]" 1
232 1 11 VAL QG 1 13 PRO HD3 3.200 . 6.000 3.114 2.739 3.527 . 0 0 "[ . 1]" 1
233 1 30 VAL MG1 1 31 ARG HG3 3.800 . 6.000 4.633 3.514 5.940 . 0 0 "[ . 1]" 1
234 1 56 PHE QE 1 61 THR MG 6.000 . 6.000 3.453 2.595 4.520 . 0 0 "[ . 1]" 1
235 1 56 PHE QD 1 61 THR MG 4.100 . 6.000 2.793 1.534 3.778 . 0 0 "[ . 1]" 1
236 1 11 VAL HA 1 47 LEU HG 4.400 . 6.000 5.898 5.574 6.108 0.108 1 0 "[ . 1]" 1
237 1 41 PHE HA 1 41 PHE QD 3.100 . 4.300 2.637 2.531 2.811 . 0 0 "[ . 1]" 1
238 1 13 PRO HA 1 18 ILE MD 3.200 . 6.000 4.978 3.987 5.669 . 0 0 "[ . 1]" 1
239 1 37 THR HA 1 37 THR HB 2.500 . 3.300 3.025 3.022 3.031 . 0 0 "[ . 1]" 1
240 1 22 VAL HA 1 59 SER HA 3.800 . 6.000 5.138 3.966 5.659 . 0 0 "[ . 1]" 1
241 1 22 VAL HA 1 25 LEU QD 3.200 . 6.000 2.374 2.017 3.715 . 0 0 "[ . 1]" 1
242 1 52 ILE HA 1 56 PHE QD 4.500 . 6.000 4.494 4.232 4.833 . 0 0 "[ . 1]" 1
243 1 52 ILE HA 1 55 ALA MB 3.100 . 6.000 2.888 2.487 3.148 . 0 0 "[ . 1]" 1
244 1 42 LEU QD 1 52 ILE HA 4.400 . 6.000 2.315 2.069 2.668 . 0 0 "[ . 1]" 1
245 1 37 THR HA 1 40 ALA MB 2.500 . 6.000 3.413 3.112 3.676 . 0 0 "[ . 1]" 1
246 1 18 ILE HA 1 55 ALA MB 4.000 . 6.000 2.930 2.581 3.248 . 0 0 "[ . 1]" 1
247 1 56 PHE QD 1 59 SER HB3 2.500 . 6.000 4.060 2.866 4.816 . 0 0 "[ . 1]" 1
248 1 22 VAL HA 1 59 SER HB3 3.500 . 6.000 4.045 2.956 5.287 . 0 0 "[ . 1]" 1
249 1 22 VAL MG2 1 59 SER HB3 3.100 . 6.000 3.829 2.019 5.153 . 0 0 "[ . 1]" 1
250 1 22 VAL MG1 1 59 SER HB3 3.800 . 5.600 3.609 1.892 4.638 0.108 2 0 "[ . 1]" 1
251 1 22 VAL MG1 1 59 SER HB2 5.000 . 6.000 3.882 2.848 6.017 0.017 9 0 "[ . 1]" 1
252 1 50 GLU HA 1 53 ASP HB2 3.300 . 6.000 4.584 3.411 5.741 . 0 0 "[ . 1]" 1
253 1 13 PRO HD3 1 48 THR HA 3.700 . 6.000 5.748 5.247 6.041 0.041 4 0 "[ . 1]" 1
254 1 53 ASP HB3 1 57 GLN HA 3.000 . 6.000 5.730 5.164 6.303 0.303 4 0 "[ . 1]" 1
255 1 57 GLN HA 1 57 GLN HG3 2.500 . 6.000 3.076 2.459 3.685 . 0 0 "[ . 1]" 1
256 1 57 GLN HA 1 57 GLN HB3 2.500 . 6.000 2.968 2.550 3.024 . 0 0 "[ . 1]" 1
257 1 44 LYS HA 1 45 LYS QE 4.100 . 6.000 5.076 4.280 5.851 . 0 0 "[ . 1]" 1
258 1 54 MET ME 1 57 GLN HA 3.200 . 6.000 5.462 4.919 6.042 0.042 10 0 "[ . 1]" 1
259 1 57 GLN HA 1 62 ALA MB 2.800 . 6.000 3.838 2.129 5.276 . 0 0 "[ . 1]" 1
260 1 18 ILE MD 1 51 GLU HA 2.800 . 6.000 3.296 2.410 4.129 . 0 0 "[ . 1]" 1
261 1 31 ARG HA 1 38 ARG HD3 3.300 . 6.000 4.021 2.871 5.518 . 0 0 "[ . 1]" 1
262 1 53 ASP HA 1 56 PHE QD 3.700 . 6.000 3.348 2.978 3.870 . 0 0 "[ . 1]" 1
263 1 29 ARG HA 1 29 ARG HB3 2.900 . 4.000 2.634 2.423 3.023 . 0 0 "[ . 1]" 1
264 1 17 LEU HA 1 20 THR HB 3.300 . 4.600 2.722 2.317 3.071 . 0 0 "[ . 1]" 1
265 1 19 ALA HA 1 22 VAL HB 2.700 . 3.600 3.065 2.544 3.663 0.063 9 0 "[ . 1]" 1
266 1 26 GLN HA 1 27 ASN HA 3.800 . 6.000 4.577 4.432 4.815 . 0 0 "[ . 1]" 1
267 1 39 ARG HB3 1 40 ALA HA 3.100 . 6.000 4.193 3.900 4.485 . 0 0 "[ . 1]" 1
268 1 40 ALA HA 1 43 LYS HB3 3.000 . 6.000 4.082 3.700 4.590 . 0 0 "[ . 1]" 1
269 1 55 ALA HA 1 58 GLN QB 3.300 . 6.000 3.094 2.746 3.565 . 0 0 "[ . 1]" 1
270 1 22 VAL MG2 1 55 ALA HA 3.100 . 4.300 2.807 2.263 3.610 . 0 0 "[ . 1]" 1
271 1 18 ILE MG 1 55 ALA HA 2.800 . 3.800 2.571 2.172 2.952 . 0 0 "[ . 1]" 1
272 1 55 ALA HA 1 56 PHE HB2 4.500 . 6.000 5.730 5.679 5.760 . 0 0 "[ . 1]" 1
273 1 33 SER HA 1 34 PRO HD3 5.300 . 6.000 2.224 1.893 2.631 . 0 0 "[ . 1]" 1
274 1 12 LEU MD1 1 13 PRO HD3 4.400 . 6.000 3.984 2.941 5.636 . 0 0 "[ . 1]" 1
275 1 34 PRO HD2 1 37 THR HB 3.300 . 4.700 4.252 3.803 4.618 . 0 0 "[ . 1]" 1
276 1 12 LEU MD1 1 13 PRO HD2 3.500 . 5.000 3.062 1.983 5.517 0.517 6 1 "[ .+ 1]" 1
277 1 25 LEU QD 1 38 ARG HD3 3.300 . 6.000 3.388 2.435 4.525 . 0 0 "[ . 1]" 1
278 1 30 VAL MG1 1 38 ARG HD3 2.700 . 6.000 2.503 1.699 3.332 . 0 0 "[ . 1]" 1
279 1 26 GLN HA 1 31 ARG HD2 2.600 . 6.000 4.399 3.323 5.551 . 0 0 "[ . 1]" 1
280 1 31 ARG HD2 1 61 THR MG 4.100 . 6.000 2.420 1.811 3.607 . 0 0 "[ . 1]" 1
281 1 25 LEU QD 1 38 ARG HD2 3.000 . 6.000 2.986 1.766 4.103 . 0 0 "[ . 1]" 1
282 1 14 ARG HD3 1 14 ARG HG3 2.600 . 3.500 2.741 2.435 3.018 . 0 0 "[ . 1]" 1
283 1 36 ALA HA 1 39 ARG QD 3.400 . 6.000 4.367 3.036 5.368 . 0 0 "[ . 1]" 1
284 1 47 LEU HB2 1 52 ILE HA 5.100 . 6.000 4.815 3.969 5.896 . 0 0 "[ . 1]" 1
285 1 39 ARG QD 1 52 ILE MD 4.600 . 6.000 3.031 2.101 4.114 . 0 0 "[ . 1]" 1
286 1 35 LEU MD2 1 39 ARG QD 4.700 . 6.000 3.519 2.582 4.857 . 0 0 "[ . 1]" 1
287 1 47 LEU HB3 1 52 ILE MG 3.000 . 6.000 4.230 2.696 6.080 0.080 2 0 "[ . 1]" 1
288 1 47 LEU HB3 1 52 ILE HA 5.700 . 6.000 4.853 3.361 6.089 0.089 10 0 "[ . 1]" 1
289 1 47 LEU HB2 1 52 ILE MG 3.800 . 6.000 4.258 3.679 4.946 . 0 0 "[ . 1]" 1
290 1 43 LYS HA 1 47 LEU HB2 4.700 . 6.000 4.374 3.284 5.452 . 0 0 "[ . 1]" 1
291 1 43 LYS QE 1 52 ILE MG 4.500 . 6.000 2.070 1.848 2.415 0.152 4 0 "[ . 1]" 1
292 1 42 LEU HB2 1 52 ILE MG 3.800 . 6.000 3.544 2.459 4.517 . 0 0 "[ . 1]" 1
293 1 22 VAL HA 1 25 LEU HB3 4.800 . 6.000 4.033 3.447 4.457 . 0 0 "[ . 1]" 1
294 1 12 LEU HB3 1 12 LEU MD1 4.200 . 6.000 2.793 2.336 3.203 . 0 0 "[ . 1]" 1
295 1 12 LEU HB3 1 13 PRO HD2 3.800 . 5.600 4.534 3.694 4.985 . 0 0 "[ . 1]" 1
296 1 42 LEU HB3 1 52 ILE MG 3.800 . 6.000 3.567 1.918 5.220 . 0 0 "[ . 1]" 1
297 1 53 ASP HB2 1 57 GLN HA 3.400 . 6.000 5.817 4.793 6.324 0.324 3 0 "[ . 1]" 1
298 1 24 PHE QE 1 41 PHE HB2 3.800 . 6.000 5.167 4.953 5.425 . 0 0 "[ . 1]" 1
299 1 24 PHE QB 1 24 PHE QD 2.800 . 3.000 2.113 2.105 2.125 . 0 0 "[ . 1]" 1
300 1 24 PHE QB 2 9 LEU QB 4.900 . 6.000 4.155 3.572 4.650 . 0 0 "[ . 1]" 1
301 1 24 PHE QB 1 42 LEU QD 3.800 . 6.000 4.282 3.953 4.471 . 0 0 "[ . 1]" 1
302 1 49 ASP HA 1 52 ILE HB 3.300 . 6.000 4.252 3.499 4.988 . 0 0 "[ . 1]" 1
303 1 18 ILE MD 1 51 GLU HG2 3.200 . 6.000 3.288 2.194 5.107 . 0 0 "[ . 1]" 1
304 1 50 GLU HA 1 50 GLU HG3 2.700 . 6.000 3.666 2.650 3.860 . 0 0 "[ . 1]" 1
305 1 29 ARG HA 1 32 GLN HG2 6.000 . 6.000 4.863 3.989 5.469 . 0 0 "[ . 1]" 1
306 1 18 ILE MG 1 54 MET HB3 3.600 . 6.000 3.444 2.806 4.159 . 0 0 "[ . 1]" 1
307 1 22 VAL HB 1 22 VAL MG1 2.400 . 3.100 2.128 2.112 2.132 . 0 0 "[ . 1]" 1
308 1 27 ASN HB3 1 30 VAL HB 3.600 . 6.000 4.378 3.454 5.550 . 0 0 "[ . 1]" 1
309 1 26 GLN HG3 1 30 VAL HB 2.800 . 6.000 6.135 5.980 6.346 0.346 4 0 "[ . 1]" 1
310 1 50 GLU HB3 1 50 GLU HG3 2.500 . 3.300 3.006 2.994 3.014 . 0 0 "[ . 1]" 1
311 1 22 VAL MG2 1 58 GLN QB 3.200 . 4.500 2.862 1.915 3.756 . 0 0 "[ . 1]" 1
312 1 23 LYS QD 1 23 LYS HE3 2.400 . 3.100 2.186 2.144 2.322 . 0 0 "[ . 1]" 1
313 1 18 ILE HG12 1 54 MET HB3 4.000 . 6.000 4.773 3.932 5.991 . 0 0 "[ . 1]" 1
314 1 16 PRO QD 1 18 ILE HG12 3.200 . 6.000 5.985 4.973 6.927 0.927 9 4 "[ * *- +1]" 1
315 1 57 GLN HB3 1 58 GLN HG2 2.300 . 6.000 4.784 3.099 6.614 0.614 2 1 "[ + . 1]" 1
316 1 43 LYS HD3 1 52 ILE MG 2.800 . 6.000 3.291 1.828 4.475 . 0 0 "[ . 1]" 1
317 1 15 GLU HA 1 15 GLU HB3 2.600 . 3.400 2.723 2.273 3.023 . 0 0 "[ . 1]" 1
318 1 15 GLU HB3 1 15 GLU HG3 2.300 . 3.000 2.808 2.442 3.010 0.010 1 0 "[ . 1]" 1
319 1 42 LEU QD 1 56 PHE QE 2.400 . 6.000 2.742 2.454 3.029 . 0 0 "[ . 1]" 1
320 1 39 ARG HA 1 42 LEU QD 2.500 . 6.000 3.428 2.089 4.059 . 0 0 "[ . 1]" 1
321 1 21 ALA MB 1 42 LEU QD 3.000 . 6.000 2.283 2.079 2.543 . 0 0 "[ . 1]" 1
322 1 42 LEU QD 1 52 ILE MD 2.300 . 6.000 2.988 2.566 3.978 . 0 0 "[ . 1]" 1
323 1 42 LEU QD 1 52 ILE MG 2.500 . 6.000 2.940 1.815 3.936 . 0 0 "[ . 1]" 1
324 1 25 LEU QD 1 42 LEU QD 2.000 . 6.000 2.162 1.578 2.554 . 0 0 "[ . 1]" 1
325 1 18 ILE HA 1 47 LEU QD 3.500 . 6.000 2.898 2.413 3.616 . 0 0 "[ . 1]" 1
326 1 47 LEU QD 1 52 ILE HA 3.100 . 4.300 2.509 2.267 2.903 . 0 0 "[ . 1]" 1
327 1 47 LEU QD 1 51 GLU HB3 3.000 . 4.100 2.326 1.962 3.167 . 0 0 "[ . 1]" 1
328 1 42 LEU HB3 1 47 LEU QD 3.700 . 5.400 2.477 1.559 3.490 0.441 2 0 "[ . 1]" 1
329 1 25 LEU HG 1 56 PHE QE 2.900 . 6.000 2.956 1.642 4.498 . 0 0 "[ . 1]" 1
330 1 43 LYS QG 1 44 LYS QG 2.400 . 6.000 5.018 4.888 5.149 . 0 0 "[ . 1]" 1
331 1 25 LEU QD 1 56 PHE QD 2.900 . 6.000 2.301 1.869 2.939 . 0 0 "[ . 1]" 1
332 1 25 LEU QD 1 56 PHE QE 2.800 . 3.800 2.036 1.492 2.462 0.308 6 0 "[ . 1]" 1
333 1 25 LEU QD 1 56 PHE HA 3.500 . 5.000 2.750 2.367 4.150 . 0 0 "[ . 1]" 1
334 1 22 VAL MG2 1 59 SER HA 3.800 . 5.600 4.089 2.907 4.855 . 0 0 "[ . 1]" 1
335 1 22 VAL MG2 1 55 ALA MB 3.000 . 6.000 2.753 2.284 3.767 . 0 0 "[ . 1]" 1
336 1 22 VAL MG2 1 25 LEU QD 3.600 . 6.000 3.166 2.858 4.636 . 0 0 "[ . 1]" 1
337 1 35 LEU MD2 1 56 PHE QD 2.600 . 6.000 4.419 3.484 5.275 . 0 0 "[ . 1]" 1
338 1 35 LEU MD2 1 56 PHE QE 2.200 . 6.000 4.067 2.947 5.075 . 0 0 "[ . 1]" 1
339 1 35 LEU MD2 1 56 PHE HZ 2.600 . 6.000 4.462 3.021 5.743 . 0 0 "[ . 1]" 1
340 1 12 LEU MD1 1 14 ARG HB2 2.800 . 6.000 5.254 4.110 6.083 0.083 9 0 "[ . 1]" 1
341 1 12 LEU HB2 1 12 LEU MD1 2.800 . 6.000 2.510 2.262 3.209 . 0 0 "[ . 1]" 1
342 1 45 LYS HG2 2 10 PHE QE 4.200 . 6.000 4.014 2.778 4.855 . 0 0 "[ . 1]" 1
343 1 45 LYS HB2 1 45 LYS HG2 2.900 . 3.900 2.464 2.298 2.613 . 0 0 "[ . 1]" 1
344 1 11 VAL QG 1 48 THR MG 2.400 . 6.000 1.906 1.392 2.333 . 0 0 "[ . 1]" 1
345 1 20 THR MG 2 10 PHE HA 2.900 . 6.000 2.550 2.117 3.270 . 0 0 "[ . 1]" 1
346 1 18 ILE HA 1 21 ALA MB 2.800 . 3.800 2.584 2.508 2.682 . 0 0 "[ . 1]" 1
347 1 21 ALA MB 1 47 LEU QD 2.700 . 6.000 2.607 2.227 2.924 . 0 0 "[ . 1]" 1
348 1 21 ALA MB 1 55 ALA MB 1.700 . 6.000 2.271 2.104 2.405 . 0 0 "[ . 1]" 1
349 1 56 PHE HB3 1 62 ALA MB 3.200 . 6.000 4.694 2.410 6.086 0.086 1 0 "[ . 1]" 1
350 1 55 ALA MB 1 56 PHE QD 3.200 . 6.000 4.121 4.032 4.248 . 0 0 "[ . 1]" 1
351 1 17 LEU QD 1 55 ALA MB 3.000 . 6.000 5.093 4.057 5.759 . 0 0 "[ . 1]" 1
352 1 52 ILE MG 1 55 ALA MB 2.600 . 6.000 4.707 4.092 5.223 . 0 0 "[ . 1]" 1
353 1 25 LEU QD 1 55 ALA MB 3.000 . 6.000 2.616 2.222 4.237 . 0 0 "[ . 1]" 1
354 1 16 PRO HA 1 19 ALA MB 2.900 . 3.900 2.825 2.340 3.577 . 0 0 "[ . 1]" 1
355 1 52 ILE MD 1 56 PHE QD 2.600 . 6.000 3.252 2.817 3.560 . 0 0 "[ . 1]" 1
356 1 52 ILE MD 1 56 PHE QE 2.500 . 6.000 2.755 2.086 3.458 . 0 0 "[ . 1]" 1
357 1 52 ILE HA 1 52 ILE MD 3.500 . 5.000 3.991 3.709 4.158 . 0 0 "[ . 1]" 1
358 1 52 ILE HB 1 52 ILE MD 2.100 . 2.600 2.390 2.305 2.482 . 0 0 "[ . 1]" 1
359 1 18 ILE MD 1 54 MET ME 2.800 . 6.000 4.959 4.611 5.460 . 0 0 "[ . 1]" 1
360 1 18 ILE MG 1 54 MET ME 4.100 . 6.000 4.769 4.170 5.458 . 0 0 "[ . 1]" 1
361 1 18 ILE MG 1 19 ALA HA 3.000 . 6.000 3.495 3.347 3.628 . 0 0 "[ . 1]" 1
362 1 18 ILE MG 1 55 ALA MB 3.000 . 4.100 2.284 1.968 2.508 . 0 0 "[ . 1]" 1
363 1 18 ILE MG 1 22 VAL MG2 3.100 . 4.300 2.664 2.331 4.454 0.154 9 0 "[ . 1]" 1
364 1 18 ILE MD 1 19 ALA HA 2.300 . 6.000 5.872 5.802 5.943 . 0 0 "[ . 1]" 1
365 1 49 ASP HA 1 52 ILE MG 2.500 . 6.000 2.049 1.713 2.489 . 0 0 "[ . 1]" 1
366 1 52 ILE HA 1 52 ILE MG 3.400 . 4.900 2.810 2.492 3.222 . 0 0 "[ . 1]" 1
367 1 39 ARG HB2 1 52 ILE MG 2.300 . 6.000 6.129 5.468 6.657 0.657 4 2 "[ +- 1]" 1
368 1 43 LYS QG 1 52 ILE MG 3.200 . 4.500 3.289 1.935 4.517 0.017 6 0 "[ . 1]" 1
369 1 52 ILE MD 1 52 ILE MG 2.300 . 6.000 1.950 1.869 2.068 . 0 0 "[ . 1]" 1
370 1 12 LEU HB3 1 13 PRO HD3 5.600 . 6.000 4.799 4.355 5.143 . 0 0 "[ . 1]" 1
371 1 12 LEU HB2 1 13 PRO HD3 5.800 . 6.000 4.709 4.232 5.299 . 0 0 "[ . 1]" 1
372 1 12 LEU HB2 1 13 PRO HD2 4.800 . 6.000 4.581 4.238 5.030 . 0 0 "[ . 1]" 1
373 1 30 VAL MG1 1 38 ARG HD2 3.000 . 4.100 2.415 1.922 2.991 . 0 0 "[ . 1]" 1
374 1 25 LEU HA 1 30 VAL MG1 3.900 . 5.800 1.926 1.371 2.200 0.629 2 1 "[ + . 1]" 1
375 1 22 VAL MG1 1 26 GLN HG3 3.600 . 5.200 3.307 2.691 4.643 . 0 0 "[ . 1]" 1
376 1 22 VAL MG1 1 26 GLN HG2 5.400 . 6.000 4.538 3.731 5.722 . 0 0 "[ . 1]" 1
377 1 39 ARG HA 1 52 ILE MG 3.700 . 5.400 4.148 3.783 4.540 . 0 0 "[ . 1]" 1
378 1 39 ARG HA 1 52 ILE MD 3.000 . 4.100 2.361 1.793 3.042 0.107 1 0 "[ . 1]" 1
379 1 50 GLU HA 1 50 GLU HB2 2.900 . 3.900 2.475 2.388 2.524 . 0 0 "[ . 1]" 1
380 1 19 ALA HA 1 22 VAL MG2 4.300 . 6.000 3.280 2.647 4.482 . 0 0 "[ . 1]" 1
381 1 42 LEU QD 1 56 PHE QD 3.500 . 6.000 3.446 2.740 3.930 . 0 0 "[ . 1]" 1
382 1 38 ARG HD3 1 56 PHE QE 4.900 . 6.000 3.540 2.692 4.161 . 0 0 "[ . 1]" 1
383 1 38 ARG HD3 1 56 PHE QD 5.300 . 6.000 5.573 4.751 6.130 0.130 8 0 "[ . 1]" 1
384 1 39 ARG QD 1 56 PHE HZ 4.100 . 6.000 5.242 4.205 5.827 . 0 0 "[ . 1]" 1
385 1 39 ARG QD 1 56 PHE QE 3.200 . 6.000 3.710 2.708 4.619 . 0 0 "[ . 1]" 1
386 1 39 ARG QD 1 56 PHE QD 3.800 . 6.000 4.548 3.679 5.761 . 0 0 "[ . 1]" 1
387 1 56 PHE QD 1 61 THR HB 4.200 . 6.000 3.780 1.941 4.485 0.059 2 0 "[ . 1]" 1
388 1 21 ALA MB 1 56 PHE QE 3.400 . 6.000 5.270 4.782 5.613 . 0 0 "[ . 1]" 1
389 1 52 ILE MG 1 56 PHE QE 4.200 . 6.000 4.698 4.449 5.143 . 0 0 "[ . 1]" 1
390 1 52 ILE MG 1 56 PHE QD 4.400 . 6.000 4.461 3.685 5.069 . 0 0 "[ . 1]" 1
391 1 55 ALA MB 1 56 PHE QE 6.000 . 6.000 4.781 4.571 5.023 . 0 0 "[ . 1]" 1
392 1 21 ALA MB 1 25 LEU QD 3.900 . 5.800 2.704 2.499 2.892 . 0 0 "[ . 1]" 1
393 1 22 VAL HA 1 22 VAL MG1 2.600 . 3.400 2.505 2.363 3.212 . 0 0 "[ . 1]" 1
394 1 13 PRO HA 1 51 GLU HG3 4.700 . 6.000 4.020 2.084 5.321 . 0 0 "[ . 1]" 1
395 1 13 PRO HA 1 51 GLU HG2 4.900 . 6.000 3.955 2.329 5.222 . 0 0 "[ . 1]" 1
396 1 18 ILE MD 1 51 GLU HG3 3.200 . 4.500 3.329 1.938 4.244 . 0 0 "[ . 1]" 1
397 1 25 LEU HB3 1 56 PHE QE 4.100 . 6.000 3.720 2.554 4.502 . 0 0 "[ . 1]" 1
398 1 24 PHE QD 1 25 LEU HB2 4.600 . 6.000 4.793 4.418 5.077 . 0 0 "[ . 1]" 1
399 1 21 ALA MB 1 56 PHE QD 5.700 . 6.000 5.498 5.082 5.681 . 0 0 "[ . 1]" 1
400 1 21 ALA MB 1 24 PHE QE 4.900 . 6.000 6.014 5.603 6.134 0.134 3 0 "[ . 1]" 1
401 1 24 PHE QE 1 30 VAL MG1 2.900 . 6.000 2.316 2.059 2.636 . 0 0 "[ . 1]" 1
402 1 30 VAL MG1 2 6 PHE HZ 3.700 . 6.000 5.253 3.821 6.506 0.506 2 1 "[ + . 1]" 1
403 1 52 ILE MD 1 56 PHE HZ 4.000 . 6.000 4.845 3.923 5.744 . 0 0 "[ . 1]" 1
404 1 29 ARG HD3 1 29 ARG HG3 2.600 . 6.000 2.657 2.395 3.016 . 0 0 "[ . 1]" 1
405 1 29 ARG HA 1 29 ARG HD3 3.600 . 6.000 4.572 4.248 4.817 . 0 0 "[ . 1]" 1
406 1 29 ARG HA 1 29 ARG HD2 4.100 . 6.000 4.758 4.621 5.530 . 0 0 "[ . 1]" 1
407 1 47 LEU HB3 1 51 GLU HB3 4.400 . 6.000 3.567 2.112 5.303 . 0 0 "[ . 1]" 1
408 1 21 ALA HA 1 24 PHE QB 2.700 . 3.600 2.464 2.184 2.589 . 0 0 "[ . 1]" 1
409 1 57 GLN HA 1 58 GLN QB 2.600 . 6.000 5.365 5.136 5.520 . 0 0 "[ . 1]" 1
410 1 57 GLN HA 1 61 THR MG 3.600 . 6.000 5.785 5.273 6.122 0.122 9 0 "[ . 1]" 1
411 1 25 LEU QD 1 38 ARG HB2 3.600 . 6.000 4.750 3.976 5.574 . 0 0 "[ . 1]" 1
412 1 22 VAL MG1 1 26 GLN HA 2.600 . 6.000 5.593 5.134 6.752 0.752 9 1 "[ . +1]" 1
413 1 27 ASN HA 1 27 ASN HB3 2.600 . 6.000 2.948 2.627 3.040 . 0 0 "[ . 1]" 1
414 1 27 ASN HB3 2 9 LEU QD 3.500 . 6.000 3.127 2.479 4.097 . 0 0 "[ . 1]" 1
415 1 26 GLN HG3 1 59 SER HB2 3.600 . 5.200 3.673 2.433 4.996 . 0 0 "[ . 1]" 1
416 1 26 GLN HG2 1 59 SER HB2 3.600 . 6.000 4.398 2.741 5.635 . 0 0 "[ . 1]" 1
417 1 22 VAL MG2 1 58 GLN HG2 4.200 . 6.000 4.427 3.597 5.714 . 0 0 "[ . 1]" 1
418 1 22 VAL MG2 1 58 GLN HG3 4.400 . 6.000 4.512 3.758 5.487 . 0 0 "[ . 1]" 1
419 1 22 VAL HA 1 59 SER HB2 4.100 . 6.000 4.232 2.719 5.210 . 0 0 "[ . 1]" 1
420 1 26 GLN HG3 1 59 SER HB3 3.900 . 6.000 3.475 2.246 4.719 . 0 0 "[ . 1]" 1
421 1 22 VAL MG2 1 59 SER HB2 3.600 . 6.000 3.950 2.635 4.853 . 0 0 "[ . 1]" 1
422 1 25 LEU QD 1 59 SER HB2 4.600 . 6.000 2.997 1.912 4.141 . 0 0 "[ . 1]" 1
423 1 25 LEU QD 1 59 SER HB3 3.700 . 6.000 2.980 2.509 3.935 . 0 0 "[ . 1]" 1
424 1 33 SER HA 1 33 SER HB3 2.400 . 3.100 2.694 2.452 3.042 . 0 0 "[ . 1]" 1
425 1 18 ILE HA 1 18 ILE MD 3.400 . 4.800 2.950 2.007 3.872 . 0 0 "[ . 1]" 1
426 1 42 LEU QD 1 47 LEU HB3 3.700 . 6.000 4.199 3.055 5.643 . 0 0 "[ . 1]" 1
427 1 52 ILE HA 1 56 PHE QE 4.400 . 6.000 5.203 4.780 5.753 . 0 0 "[ . 1]" 1
428 1 24 PHE HA 1 27 ASN HB3 6.000 . 6.000 4.485 3.870 5.984 . 0 0 "[ . 1]" 1
429 1 39 ARG HA 1 42 LEU HB2 3.900 . 5.800 3.935 2.848 5.610 . 0 0 "[ . 1]" 1
430 1 33 SER HA 1 34 PRO HD2 3.500 . 5.000 2.445 1.978 2.811 0.022 10 0 "[ . 1]" 1
431 1 27 ASN HA 1 27 ASN HB2 2.900 . 3.900 2.598 2.399 2.996 . 0 0 "[ . 1]" 1
432 1 26 GLN HA 1 61 THR MG 2.400 . 6.000 5.566 4.749 6.023 0.023 1 0 "[ . 1]" 1
433 1 56 PHE HB3 1 61 THR HB 6.000 . 6.000 4.230 3.038 6.014 0.014 8 0 "[ . 1]" 1
434 1 25 LEU QD 1 61 THR HB 6.000 . 6.000 4.839 3.728 5.723 . 0 0 "[ . 1]" 1
435 1 22 VAL HA 1 25 LEU HB2 3.500 . 6.000 2.538 2.011 2.958 . 0 0 "[ . 1]" 1
436 1 25 LEU HB3 1 59 SER HB3 3.900 . 6.000 3.841 3.129 4.644 . 0 0 "[ . 1]" 1
437 1 25 LEU HB3 1 59 SER HB2 4.000 . 6.000 3.889 3.120 4.900 . 0 0 "[ . 1]" 1
438 1 56 PHE HA 1 59 SER HB2 2.300 . 6.000 3.431 2.320 4.512 . 0 0 "[ . 1]" 1
439 1 47 LEU HB2 1 51 GLU HB3 3.900 . 6.000 3.672 1.895 5.396 . 0 0 "[ . 1]" 1
440 1 12 LEU MD1 1 13 PRO QG 4.400 . 6.000 4.444 3.180 6.542 0.542 6 1 "[ .+ 1]" 1
441 1 25 LEU QD 1 30 VAL MG1 3.100 . 4.300 1.933 1.508 2.221 0.392 6 0 "[ . 1]" 1
442 1 27 ASN HB3 1 30 VAL MG2 4.400 . 6.000 2.939 1.639 3.734 . 0 0 "[ . 1]" 1
443 1 50 GLU HA 1 54 MET HB2 3.100 . 6.000 5.343 4.843 5.860 . 0 0 "[ . 1]" 1
444 1 50 GLU HA 1 53 ASP HB3 3.100 . 6.000 5.323 4.425 5.963 . 0 0 "[ . 1]" 1
445 1 38 ARG HA 1 56 PHE QE 4.400 . 6.000 4.604 4.151 4.970 . 0 0 "[ . 1]" 1
446 1 33 SER HB3 1 34 PRO HD2 3.800 . 5.600 3.101 2.038 4.289 . 0 0 "[ . 1]" 1
447 1 35 LEU MD2 1 61 THR HB 3.700 . 6.000 4.156 3.306 5.931 . 0 0 "[ . 1]" 1
448 1 52 ILE MG 1 53 ASP HA 2.700 . 6.000 4.677 3.426 5.452 . 0 0 "[ . 1]" 1
449 1 29 ARG HB3 2 5 PHE QE 2.700 . 6.000 3.774 2.845 5.349 . 0 0 "[ . 1]" 1
450 1 35 LEU MD1 1 63 ALA HA 3.200 . 6.000 5.454 4.628 6.060 0.060 7 0 "[ . 1]" 1
451 1 41 PHE QD 1 42 LEU HA 3.300 . 6.000 3.419 3.074 3.610 . 0 0 "[ . 1]" 1
452 1 38 ARG HD2 1 41 PHE QD 4.300 . 6.000 5.602 5.271 6.013 0.013 9 0 "[ . 1]" 1
453 1 26 GLN HG2 1 31 ARG HD2 5.500 . 6.000 3.744 3.241 4.385 . 0 0 "[ . 1]" 1
454 1 25 LEU HA 1 30 VAL HB 3.400 . 6.000 2.178 1.649 2.895 . 0 0 "[ . 1]" 1
455 1 25 LEU HA 1 27 ASN HB3 5.200 . 6.000 5.595 5.000 6.651 0.651 5 2 "[ + -1]" 1
456 1 25 LEU HA 1 38 ARG HD3 5.900 . 6.000 4.727 4.005 5.436 . 0 0 "[ . 1]" 1
457 1 25 LEU HA 1 30 VAL HA 5.200 . 6.000 4.721 4.407 5.012 . 0 0 "[ . 1]" 1
458 1 35 LEU HB3 1 56 PHE QE 3.900 . 6.000 5.006 4.769 5.322 . 0 0 "[ . 1]" 1
459 1 48 THR HB 1 49 ASP HB2 5.100 . 6.000 4.383 3.757 6.156 0.156 7 0 "[ . 1]" 1
460 1 48 THR HB 1 50 GLU HB3 4.900 . 6.000 4.731 4.139 5.098 . 0 0 "[ . 1]" 1
461 1 48 THR HB 1 50 GLU HB2 5.100 . 6.000 5.455 4.866 6.056 0.056 4 0 "[ . 1]" 1
462 1 48 THR HB 1 49 ASP HB3 6.000 . 6.000 5.416 4.280 6.017 0.017 8 0 "[ . 1]" 1
463 1 43 LYS QG 1 48 THR HB 4.200 . 6.000 5.661 5.286 5.950 . 0 0 "[ . 1]" 1
464 1 11 VAL QG 1 48 THR HB 4.600 . 6.000 3.865 2.647 4.377 . 0 0 "[ . 1]" 1
465 1 24 PHE QE 1 30 VAL HA 4.800 . 6.000 4.693 4.514 4.950 . 0 0 "[ . 1]" 1
466 1 24 PHE QD 1 30 VAL HA 5.300 . 6.000 5.645 5.498 5.821 . 0 0 "[ . 1]" 1
467 1 47 LEU QD 1 56 PHE QD 4.400 . 6.000 5.532 5.128 5.882 . 0 0 "[ . 1]" 1
468 1 47 LEU QD 1 56 PHE QE 3.100 . 6.000 5.506 5.116 5.855 . 0 0 "[ . 1]" 1
469 1 12 LEU HA 1 12 LEU HB3 2.900 . 6.000 2.919 2.466 3.020 . 0 0 "[ . 1]" 1
470 1 12 LEU HA 1 12 LEU MD1 2.600 . 6.000 2.657 1.879 3.862 . 0 0 "[ . 1]" 1
471 1 11 VAL QG 1 13 PRO HB3 2.800 . 6.000 4.871 3.862 5.577 . 0 0 "[ . 1]" 1
472 1 11 VAL QG 1 13 PRO HB2 3.000 . 6.000 5.747 5.105 5.963 . 0 0 "[ . 1]" 1
473 1 16 PRO HA 1 16 PRO QD 3.400 . 4.800 3.189 3.071 3.458 . 0 0 "[ . 1]" 1
474 1 27 ASN HA 2 9 LEU QD 4.500 . 6.000 4.593 4.055 5.100 . 0 0 "[ . 1]" 1
475 1 27 ASN HA 1 30 VAL MG2 5.800 . 6.000 5.115 4.267 5.712 . 0 0 "[ . 1]" 1
476 1 29 ARG HD3 1 29 ARG HG2 3.000 . 6.000 2.617 2.361 3.017 . 0 0 "[ . 1]" 1
477 1 29 ARG HD2 1 29 ARG HG2 2.900 . 4.000 2.656 2.387 3.014 . 0 0 "[ . 1]" 1
478 1 29 ARG HD2 1 29 ARG HG3 3.000 . 4.100 2.629 2.395 3.016 . 0 0 "[ . 1]" 1
479 1 29 ARG HB3 1 29 ARG HD2 2.900 . 3.900 3.054 2.529 3.653 . 0 0 "[ . 1]" 1
480 1 27 ASN HB2 1 30 VAL MG2 3.500 . 6.000 3.540 2.696 4.271 . 0 0 "[ . 1]" 1
481 1 35 LEU QD 1 38 ARG HB3 3.200 . 6.000 4.327 2.615 5.483 . 0 0 "[ . 1]" 1
482 1 38 ARG HB3 1 39 ARG HG3 3.600 . 6.000 5.434 4.012 6.742 0.742 5 2 "[ -+ 1]" 1
483 1 40 ALA MB 1 41 PHE HA 3.900 . 6.000 3.831 3.764 3.891 . 0 0 "[ . 1]" 1
484 1 45 LYS HA 1 45 LYS HG3 4.000 . 6.000 3.361 2.275 3.797 . 0 0 "[ . 1]" 1
485 1 53 ASP HB3 1 54 MET ME 4.400 . 6.000 5.452 4.186 6.109 0.109 2 0 "[ . 1]" 1
486 1 53 ASP HB2 1 54 MET ME 3.600 . 6.000 4.434 3.064 5.046 . 0 0 "[ . 1]" 1
487 1 59 SER HB3 1 61 THR MG 4.300 . 6.000 3.520 2.290 5.847 . 0 0 "[ . 1]" 1
488 1 59 SER HB2 1 61 THR MG 3.600 . 6.000 3.490 2.363 4.910 . 0 0 "[ . 1]" 1
489 1 64 ASP HA 1 64 ASP HB3 2.600 . 3.500 2.917 2.424 3.037 . 0 0 "[ . 1]" 1
490 1 20 THR HA 2 12 SER HA 4.200 . 6.000 5.853 5.106 6.079 0.079 7 0 "[ . 1]" 1
491 1 56 PHE QE 1 61 THR HB 5.600 . 6.000 4.753 3.624 5.422 . 0 0 "[ . 1]" 1
492 1 22 VAL HA 1 56 PHE QD 5.000 . 6.000 5.770 5.495 5.950 . 0 0 "[ . 1]" 1
493 1 22 VAL HA 1 56 PHE QE 6.000 . 6.000 6.125 6.066 6.210 0.210 4 0 "[ . 1]" 1
494 1 30 VAL HA 2 6 PHE QD 4.400 . 6.000 5.802 5.014 6.044 0.044 4 0 "[ . 1]" 1
495 1 30 VAL HA 2 6 PHE QE 3.700 . 6.000 4.386 3.471 4.738 . 0 0 "[ . 1]" 1
496 1 37 THR HA 2 6 PHE HZ 5.700 . 6.000 6.008 5.669 6.097 0.097 6 0 "[ . 1]" 1
497 1 20 THR HA 2 10 PHE HZ 4.600 . 6.000 5.957 5.705 6.091 0.091 6 0 "[ . 1]" 1
498 1 33 SER HB3 2 6 PHE QE 3.000 . 4.100 3.437 2.765 4.010 . 0 0 "[ . 1]" 1
499 1 33 SER HB3 2 6 PHE QD 6.000 . 6.000 5.925 5.307 6.109 0.109 1 0 "[ . 1]" 1
500 1 56 PHE HA 1 56 PHE QE 4.900 . 6.000 4.087 4.001 4.139 . 0 0 "[ . 1]" 1
501 1 41 PHE HA 1 41 PHE QE 4.300 . 6.000 4.608 4.544 4.655 . 0 0 "[ . 1]" 1
502 1 41 PHE HA 2 6 PHE QD 4.800 . 6.000 5.957 5.707 6.058 0.058 1 0 "[ . 1]" 1
503 1 24 PHE HA 1 24 PHE QE 3.900 . 5.800 4.531 4.485 4.587 . 0 0 "[ . 1]" 1
504 1 39 ARG HA 1 56 PHE QE 3.200 . 6.000 3.149 2.423 3.638 . 0 0 "[ . 1]" 1
505 1 39 ARG HA 1 56 PHE QD 3.500 . 6.000 4.888 4.170 5.338 . 0 0 "[ . 1]" 1
506 1 31 ARG HA 1 56 PHE HZ 4.400 . 6.000 6.086 5.893 6.178 0.178 8 0 "[ . 1]" 1
507 1 31 ARG HA 1 56 PHE QE 4.000 . 6.000 4.563 4.313 4.960 . 0 0 "[ . 1]" 1
508 1 41 PHE QE 1 42 LEU HA 4.700 . 6.000 4.279 4.114 4.478 . 0 0 "[ . 1]" 1
509 1 42 LEU HA 2 10 PHE HZ 3.800 . 5.600 4.425 3.685 5.303 . 0 0 "[ . 1]" 1
510 1 24 PHE QD 1 25 LEU HA 3.400 . 6.000 3.233 2.990 3.431 . 0 0 "[ . 1]" 1
511 1 24 PHE QE 1 25 LEU HA 5.600 . 6.000 4.516 4.371 4.700 . 0 0 "[ . 1]" 1
512 1 21 ALA HA 2 10 PHE QD 3.600 . 6.000 3.057 2.850 3.462 . 0 0 "[ . 1]" 1
513 1 21 ALA HA 2 10 PHE QE 2.400 . 6.000 1.881 1.466 2.288 . 0 0 "[ . 1]" 1
514 1 21 ALA HA 1 24 PHE QD 5.000 . 6.000 4.013 3.577 4.185 . 0 0 "[ . 1]" 1
515 1 41 PHE QE 1 45 LYS HA 4.900 . 6.000 5.880 5.517 6.069 0.069 2 0 "[ . 1]" 1
516 1 34 PRO HD2 2 6 PHE QE 5.700 . 6.000 5.170 4.889 5.616 . 0 0 "[ . 1]" 1
517 1 34 PRO HD2 2 6 PHE HZ 4.600 . 6.000 4.471 3.831 5.205 . 0 0 "[ . 1]" 1
518 1 31 ARG HD2 1 56 PHE QD 6.000 . 6.000 5.581 4.808 6.051 0.051 5 0 "[ . 1]" 1
519 1 29 ARG HD3 2 5 PHE QE 4.200 . 6.000 4.613 3.080 5.981 . 0 0 "[ . 1]" 1
520 1 29 ARG HD2 2 5 PHE QE 3.300 . 4.700 3.791 2.825 4.961 0.261 8 0 "[ . 1]" 1
521 1 29 ARG HD2 2 5 PHE QD 4.600 . 6.000 4.624 3.725 5.848 . 0 0 "[ . 1]" 1
522 1 29 ARG HD3 2 5 PHE QD 5.900 . 6.000 5.301 4.326 6.059 0.059 3 0 "[ . 1]" 1
523 1 43 LYS QE 1 56 PHE QE 4.300 . 6.000 5.341 4.987 5.719 . 0 0 "[ . 1]" 1
524 1 43 LYS QE 1 56 PHE QD 4.000 . 6.000 5.822 5.660 5.912 . 0 0 "[ . 1]" 1
525 1 41 PHE QE 1 45 LYS QE 3.000 . 6.000 3.646 3.221 4.029 . 0 0 "[ . 1]" 1
526 1 35 LEU HB3 1 56 PHE QD 5.200 . 6.000 6.038 5.823 6.122 0.122 2 0 "[ . 1]" 1
527 1 35 LEU HB3 1 56 PHE HZ 4.900 . 6.000 5.512 5.161 5.953 . 0 0 "[ . 1]" 1
528 1 53 ASP HB3 1 56 PHE QD 4.400 . 6.000 5.121 4.721 5.383 . 0 0 "[ . 1]" 1
529 1 53 ASP HB2 1 56 PHE QD 4.500 . 6.000 5.891 5.258 6.119 0.119 1 0 "[ . 1]" 1
530 1 41 PHE HB2 2 6 PHE QD 3.500 . 6.000 4.518 4.076 4.895 . 0 0 "[ . 1]" 1
531 1 41 PHE HB3 2 6 PHE QD 3.500 . 6.000 5.288 4.737 5.812 . 0 0 "[ . 1]" 1
532 1 41 PHE HB2 2 6 PHE QE 3.800 . 6.000 4.680 2.760 5.219 . 0 0 "[ . 1]" 1
533 1 41 PHE HB3 2 6 PHE QE 4.200 . 6.000 5.363 3.947 6.056 0.056 2 0 "[ . 1]" 1
534 1 24 PHE QB 2 10 PHE HZ 4.000 . 6.000 4.954 4.699 5.226 . 0 0 "[ . 1]" 1
535 1 24 PHE QB 1 41 PHE QD 4.400 . 6.000 5.228 4.988 5.495 . 0 0 "[ . 1]" 1
536 1 38 ARG HB3 1 41 PHE QD 4.700 . 6.000 4.430 4.109 4.910 . 0 0 "[ . 1]" 1
537 1 38 ARG HB2 1 41 PHE QD 4.400 . 6.000 5.666 5.425 6.058 0.058 3 0 "[ . 1]" 1
538 1 38 ARG HB3 1 56 PHE HZ 2.600 . 3.400 1.544 1.258 1.684 0.542 9 1 "[ . +1]" 1
539 1 38 ARG HB2 1 56 PHE HZ 4.000 . 6.000 2.770 2.228 3.358 . 0 0 "[ . 1]" 1
540 1 38 ARG HB2 1 56 PHE QE 4.200 . 6.000 3.474 3.137 3.906 . 0 0 "[ . 1]" 1
541 1 38 ARG HB2 1 56 PHE QD 5.200 . 6.000 5.377 5.037 5.752 . 0 0 "[ . 1]" 1
542 1 41 PHE QE 1 44 LYS HB2 4.200 . 6.000 6.087 5.961 6.167 0.167 1 0 "[ . 1]" 1
543 1 41 PHE QD 1 44 LYS HB2 3.700 . 6.000 4.766 4.665 4.832 . 0 0 "[ . 1]" 1
544 1 24 PHE QE 1 30 VAL HB 4.700 . 6.000 4.729 4.424 5.017 . 0 0 "[ . 1]" 1
545 1 23 LYS QD 1 24 PHE QE 3.200 . 6.000 5.795 5.706 5.908 . 0 0 "[ . 1]" 1
546 1 24 PHE QE 1 25 LEU HG 3.500 . 6.000 5.707 5.414 6.071 0.071 6 0 "[ . 1]" 1
547 1 41 PHE QD 1 42 LEU QD 3.300 . 6.000 1.890 1.325 3.337 . 0 0 "[ . 1]" 1
548 1 42 LEU QD 2 10 PHE HZ 3.700 . 6.000 4.159 3.824 4.647 . 0 0 "[ . 1]" 1
549 1 47 LEU QD 2 10 PHE HZ 3.800 . 5.600 3.164 2.075 4.116 . 0 0 "[ . 1]" 1
550 1 35 LEU HG 1 56 PHE HZ 3.900 . 5.800 5.225 4.574 5.890 0.090 3 0 "[ . 1]" 1
551 1 35 LEU HG 1 56 PHE QE 3.400 . 6.000 5.145 4.537 5.798 . 0 0 "[ . 1]" 1
552 1 24 PHE QE 1 30 VAL MG2 2.700 . 6.000 2.983 2.707 3.214 . 0 0 "[ . 1]" 1
553 1 30 VAL MG2 2 6 PHE QD 3.600 . 6.000 4.172 3.593 4.658 . 0 0 "[ . 1]" 1
554 1 30 VAL MG2 1 56 PHE QE 3.200 . 6.000 6.063 5.864 6.145 0.145 6 0 "[ . 1]" 1
555 1 30 VAL MG2 2 5 PHE QE 2.800 . 6.000 2.057 1.594 2.978 . 0 0 "[ . 1]" 1
556 1 41 PHE QE 1 45 LYS HG3 3.800 . 6.000 3.741 2.813 5.159 . 0 0 "[ . 1]" 1
557 1 41 PHE QE 1 45 LYS HG2 3.500 . 6.000 3.936 3.671 4.137 . 0 0 "[ . 1]" 1
558 1 37 THR MG 1 41 PHE QD 4.500 . 6.000 3.667 3.537 3.802 . 0 0 "[ . 1]" 1
559 1 25 LEU QD 2 10 PHE HZ 3.200 . 6.000 5.502 5.178 5.909 . 0 0 "[ . 1]" 1
560 1 25 LEU QD 2 10 PHE QE 2.500 . 6.000 4.009 3.623 4.238 . 0 0 "[ . 1]" 1
561 1 21 ALA MB 2 10 PHE QD 4.100 . 6.000 4.479 4.314 4.897 . 0 0 "[ . 1]" 1
562 1 45 LYS QE 1 45 LYS HG2 3.500 . 6.000 2.894 2.172 3.501 . 0 0 "[ . 1]" 1
563 1 45 LYS QE 1 45 LYS HG3 3.700 . 6.000 2.934 2.413 3.542 . 0 0 "[ . 1]" 1
564 1 45 LYS HD2 1 45 LYS QE 2.600 . 6.000 2.277 2.163 2.360 . 0 0 "[ . 1]" 1
565 1 45 LYS HA 1 45 LYS QE 2.700 . 6.000 1.716 1.380 2.215 . 0 0 "[ . 1]" 1
566 1 41 PHE HA 1 45 LYS QE 3.600 . 6.000 4.472 3.291 5.445 . 0 0 "[ . 1]" 1
567 1 41 PHE QD 1 45 LYS QE 3.700 . 6.000 3.966 2.846 4.848 . 0 0 "[ . 1]" 1
568 1 45 LYS QE 2 10 PHE QD 3.900 . 6.000 4.133 2.391 5.048 . 0 0 "[ . 1]" 1
569 1 45 LYS QE 2 10 PHE QD 3.100 . 6.000 4.252 2.402 5.279 . 0 0 "[ . 1]" 1
570 1 39 ARG HB3 1 56 PHE QE 3.600 . 6.000 5.206 3.814 6.017 0.017 10 0 "[ . 1]" 1
571 1 29 ARG HB3 2 5 PHE QD 4.100 . 6.000 5.185 3.890 6.316 0.316 4 0 "[ . 1]" 1
572 1 51 GLU HG2 1 52 ILE MG 2.900 . 6.000 5.836 5.021 6.677 0.677 6 1 "[ .+ 1]" 1
573 1 24 PHE QB 2 9 LEU QD 4.100 . 6.000 3.969 3.195 4.804 . 0 0 "[ . 1]" 1
574 1 27 ASN HB2 2 9 LEU QD 3.500 . 6.000 2.807 2.129 3.458 . 0 0 "[ . 1]" 1
575 1 25 LEU QD 1 56 PHE HB3 5.300 . 6.000 4.408 4.144 4.979 . 0 0 "[ . 1]" 1
576 1 25 LEU QD 1 56 PHE HB2 4.900 . 6.000 4.437 3.944 5.480 . 0 0 "[ . 1]" 1
577 1 20 THR HA 2 10 PHE QE 4.900 . 6.000 5.396 5.061 5.553 . 0 0 "[ . 1]" 1
578 1 39 ARG HB2 1 56 PHE QE 4.200 . 6.000 5.364 4.429 6.004 0.004 4 0 "[ . 1]" 1
579 1 30 VAL HB 2 5 PHE QE 4.200 . 6.000 4.544 4.009 5.569 . 0 0 "[ . 1]" 1
580 1 41 PHE QD 1 47 LEU QD 5.100 . 6.000 5.265 4.719 5.901 . 0 0 "[ . 1]" 1
581 1 23 LYS HE3 1 24 PHE QE 3.800 . 6.000 6.110 5.981 6.662 0.662 4 1 "[ +. 1]" 1
582 1 37 THR HA 2 6 PHE QE 6.000 . 6.000 5.680 5.094 5.873 . 0 0 "[ . 1]" 1
583 1 23 LYS HE3 2 9 LEU HA 6.000 . 6.000 4.084 3.068 6.029 0.029 7 0 "[ . 1]" 1
584 1 24 PHE HA 2 10 PHE HA 6.000 . 6.000 4.885 3.801 5.819 . 0 0 "[ . 1]" 1
585 1 17 LEU QD 2 10 PHE HZ 6.000 . 6.000 2.619 1.869 3.679 . 0 0 "[ . 1]" 1
586 1 42 LEU HA 2 10 PHE QE 6.000 . 6.000 4.331 3.844 4.882 . 0 0 "[ . 1]" 1
587 2 5 PHE HB2 2 5 PHE QD 2.600 . 3.400 2.469 2.369 2.571 . 0 0 "[ . 1]" 1
588 2 5 PHE HB3 2 5 PHE QD 2.600 . 6.000 2.323 2.274 2.398 . 0 0 "[ . 1]" 1
589 2 10 PHE HB3 2 10 PHE QD 2.500 . 3.300 2.379 2.315 2.446 . 0 0 "[ . 1]" 1
590 2 10 PHE HB2 2 10 PHE QD 2.500 . 6.000 2.393 2.324 2.470 . 0 0 "[ . 1]" 1
591 2 6 PHE HB3 2 6 PHE QD 2.800 . 3.800 2.578 2.284 2.760 . 0 0 "[ . 1]" 1
592 1 41 PHE HB2 1 41 PHE QD 2.300 . 2.900 2.492 2.414 2.538 . 0 0 "[ . 1]" 1
593 1 41 PHE HB3 1 41 PHE QD 2.200 . 2.800 2.266 2.234 2.320 . 0 0 "[ . 1]" 1
594 1 24 PHE HA 1 24 PHE QD 2.700 . 3.600 2.652 2.588 2.775 . 0 0 "[ . 1]" 1
595 1 56 PHE HB3 1 56 PHE QD 2.500 . 3.300 2.748 2.707 2.770 . 0 0 "[ . 1]" 1
596 1 56 PHE HB2 1 56 PHE QD 2.800 . 3.800 2.337 2.274 2.385 . 0 0 "[ . 1]" 1
597 1 56 PHE HA 1 56 PHE QD 2.700 . 3.600 1.865 1.749 1.997 0.051 5 0 "[ . 1]" 1
598 2 5 PHE HA 2 5 PHE QD 2.800 . 3.800 2.738 2.483 3.014 . 0 0 "[ . 1]" 1
599 2 6 PHE HA 2 6 PHE QD 2.400 . 6.000 2.409 2.047 2.754 . 0 0 "[ . 1]" 1
600 2 5 PHE HA 2 5 PHE HB3 2.700 . 3.600 3.024 2.985 3.034 . 0 0 "[ . 1]" 1
601 2 9 LEU HA 2 9 LEU QD 2.400 . 6.000 2.181 1.748 2.959 . 0 0 "[ . 1]" 1
602 2 11 ASP HA 2 11 ASP HB3 2.900 . 3.900 2.971 2.494 3.031 . 0 0 "[ . 1]" 1
603 2 11 ASP HA 2 11 ASP HB2 2.900 . 3.900 2.523 2.409 3.029 . 0 0 "[ . 1]" 1
604 1 24 PHE QD 1 30 VAL MG1 2.800 . 3.800 2.286 2.063 2.572 . 0 0 "[ . 1]" 1
605 1 24 PHE QD 1 30 VAL MG2 2.200 . 6.000 3.150 2.870 3.370 . 0 0 "[ . 1]" 1
606 1 30 VAL MG2 2 6 PHE QE 2.700 . 6.000 3.878 3.256 4.711 . 0 0 "[ . 1]" 1
607 1 30 VAL MG1 2 6 PHE QD 4.200 . 6.000 4.414 3.841 5.157 . 0 0 "[ . 1]" 1
608 1 41 PHE QE 2 10 PHE QD 3.700 . 5.500 2.578 2.403 2.848 . 0 0 "[ . 1]" 1
609 2 5 PHE QE 2 6 PHE QD 4.100 . 6.000 5.005 4.164 5.865 . 0 0 "[ . 1]" 1
610 1 24 PHE QD 2 10 PHE QD 3.300 . 4.700 3.022 2.744 3.368 . 0 0 "[ . 1]" 1
611 1 24 PHE HZ 2 6 PHE QD 4.400 . 6.000 1.751 1.351 3.006 . 0 0 "[ . 1]" 1
612 1 41 PHE QE 2 6 PHE QD 3.100 . 6.000 3.498 2.959 3.857 . 0 0 "[ . 1]" 1
613 1 41 PHE HZ 2 6 PHE QD 4.600 . 6.000 4.142 3.772 4.651 . 0 0 "[ . 1]" 1
614 1 41 PHE HZ 2 10 PHE QD 4.300 . 6.000 2.495 2.136 2.840 . 0 0 "[ . 1]" 1
615 1 24 PHE QD 1 41 PHE HZ 4.000 . 6.000 3.748 3.603 3.837 . 0 0 "[ . 1]" 1
616 1 24 PHE QD 1 41 PHE QE 3.300 . 4.700 2.896 2.713 3.172 . 0 0 "[ . 1]" 1
617 1 41 PHE QE 2 10 PHE QE 3.800 . 5.600 2.823 2.457 3.130 . 0 0 "[ . 1]" 1
618 1 24 PHE QE 2 5 PHE QE 4.700 . 6.000 4.485 3.947 5.356 . 0 0 "[ . 1]" 1
619 1 24 PHE QE 2 6 PHE QE 3.400 . 6.000 3.487 2.753 4.062 . 0 0 "[ . 1]" 1
620 1 24 PHE QD 2 6 PHE QD 4.900 . 6.000 4.880 4.627 5.551 . 0 0 "[ . 1]" 1
621 1 24 PHE QE 2 10 PHE QD 3.200 . 6.000 4.016 3.845 4.240 . 0 0 "[ . 1]" 1
622 1 24 PHE QE 2 6 PHE QD 3.100 . 6.000 2.995 2.671 3.849 . 0 0 "[ . 1]" 1
623 1 24 PHE HZ 1 41 PHE QE 3.900 . 6.000 3.737 3.533 3.914 . 0 0 "[ . 1]" 1
624 1 24 PHE HZ 1 41 PHE HZ 4.800 . 6.000 3.623 3.254 3.867 . 0 0 "[ . 1]" 1
625 1 24 PHE HZ 2 6 PHE QE 6.000 . 6.000 3.254 3.069 3.710 . 0 0 "[ . 1]" 1
626 1 41 PHE QE 2 6 PHE QE 5.600 . 6.000 5.114 3.837 5.600 . 0 0 "[ . 1]" 1
627 1 41 PHE QD 2 10 PHE HB3 4.400 . 6.000 6.243 5.723 6.696 0.696 4 1 "[ +. 1]" 1
628 1 41 PHE HZ 2 10 PHE HB3 4.700 . 6.000 3.511 2.826 4.173 . 0 0 "[ . 1]" 1
629 1 41 PHE QE 2 10 PHE HB3 4.200 . 6.000 4.305 3.822 4.801 . 0 0 "[ . 1]" 1
630 1 41 PHE HB2 1 41 PHE QE 3.300 . 4.700 4.406 4.393 4.425 . 0 0 "[ . 1]" 1
631 1 41 PHE QE 2 6 PHE HB3 3.200 . 6.000 2.416 1.734 4.148 . 0 0 "[ . 1]" 1
632 1 24 PHE HZ 2 6 PHE HB3 4.700 . 6.000 3.660 3.215 4.272 . 0 0 "[ . 1]" 1
633 1 24 PHE HZ 1 41 PHE HB2 3.900 . 6.000 5.775 5.595 5.915 . 0 0 "[ . 1]" 1
634 1 24 PHE HZ 1 41 PHE HB3 4.100 . 6.000 6.085 6.028 6.158 0.158 5 0 "[ . 1]" 1
635 1 24 PHE HA 2 10 PHE QE 2.900 . 6.000 5.817 5.430 6.104 0.104 6 0 "[ . 1]" 1
636 1 24 PHE HA 2 10 PHE QD 3.100 . 6.000 4.642 4.230 5.227 . 0 0 "[ . 1]" 1
637 1 24 PHE HA 1 41 PHE HZ 3.200 . 6.000 6.194 6.095 6.288 0.288 8 0 "[ . 1]" 1
638 1 24 PHE HA 1 41 PHE QE 3.400 . 6.000 5.840 5.584 6.050 0.050 5 0 "[ . 1]" 1
639 1 24 PHE QD 2 10 PHE HB2 3.100 . 6.000 3.347 2.734 3.951 . 0 0 "[ . 1]" 1
640 1 25 LEU QD 1 56 PHE HZ 3.600 . 5.300 2.875 2.422 3.271 . 0 0 "[ . 1]" 1
641 1 30 VAL MG1 1 56 PHE HZ 4.500 . 6.000 4.241 3.865 4.562 . 0 0 "[ . 1]" 1
642 1 30 VAL MG1 2 6 PHE QE 5.000 . 6.000 3.622 2.831 4.705 . 0 0 "[ . 1]" 1
643 1 30 VAL MG1 2 5 PHE HZ 6.000 . 6.000 5.508 4.224 6.044 0.044 4 0 "[ . 1]" 1
644 1 30 VAL MG1 2 5 PHE QE 5.600 . 6.000 4.168 3.487 5.241 . 0 0 "[ . 1]" 1
645 2 5 PHE HA 2 5 PHE QE 5.200 . 6.000 4.575 4.479 4.645 . 0 0 "[ . 1]" 1
646 1 24 PHE QD 2 5 PHE HA 6.000 . 6.000 6.117 6.035 6.258 0.258 7 0 "[ . 1]" 1
647 2 5 PHE HA 2 6 PHE QD 6.000 . 6.000 5.673 5.308 6.002 0.002 5 0 "[ . 1]" 1
648 1 24 PHE QE 2 5 PHE HA 6.000 . 6.000 4.543 4.374 4.953 . 0 0 "[ . 1]" 1
649 2 10 PHE QD 2 11 ASP HA 4.200 . 6.000 4.064 2.968 4.617 . 0 0 "[ . 1]" 1
650 1 30 VAL MG2 1 41 PHE QE 4.100 . 6.000 5.090 4.747 5.397 . 0 0 "[ . 1]" 1
651 1 30 VAL MG1 1 41 PHE QE 4.800 . 6.000 4.461 4.341 4.694 . 0 0 "[ . 1]" 1
652 1 41 PHE QE 1 45 LYS HD3 3.500 . 5.100 3.559 2.316 4.382 . 0 0 "[ . 1]" 1
653 1 41 PHE HZ 1 45 LYS HD3 4.100 . 6.000 3.934 3.056 4.945 . 0 0 "[ . 1]" 1
654 1 30 VAL MG2 1 41 PHE HZ 4.000 . 6.000 5.627 5.372 5.923 . 0 0 "[ . 1]" 1
655 1 45 LYS HD2 2 10 PHE QE 3.900 . 5.800 4.652 4.210 5.242 . 0 0 "[ . 1]" 1
656 1 45 LYS HD2 2 10 PHE QD 4.400 . 6.000 4.128 3.242 5.268 . 0 0 "[ . 1]" 1
657 1 45 LYS HD3 2 10 PHE QD 5.800 . 6.000 3.410 2.463 4.690 . 0 0 "[ . 1]" 1
658 1 45 LYS HD3 2 10 PHE QE 6.000 . 6.000 4.079 3.018 5.050 . 0 0 "[ . 1]" 1
659 1 41 PHE QD 1 45 LYS HD3 3.500 . 5.000 4.525 3.070 5.258 0.258 7 0 "[ . 1]" 1
660 1 41 PHE QD 1 45 LYS HD2 3.600 . 5.300 3.864 3.389 4.322 . 0 0 "[ . 1]" 1
661 1 41 PHE HZ 1 45 LYS HD2 4.400 . 6.000 3.748 2.734 5.400 . 0 0 "[ . 1]" 1
662 1 41 PHE QE 1 45 LYS HD2 3.300 . 4.700 3.159 2.416 4.562 . 0 0 "[ . 1]" 1
663 1 20 THR MG 2 10 PHE QE 5.100 . 6.000 3.119 2.708 3.309 . 0 0 "[ . 1]" 1
664 1 20 THR MG 2 10 PHE QD 3.400 . 4.900 2.921 2.838 3.030 . 0 0 "[ . 1]" 1
665 1 20 THR MG 2 10 PHE HZ 3.700 . 5.400 3.715 3.183 3.979 . 0 0 "[ . 1]" 1
666 1 20 THR MG 1 24 PHE QE 6.000 . 6.000 6.041 5.716 6.261 0.261 5 0 "[ . 1]" 1
667 2 5 PHE QD 2 9 LEU QD 3.500 . 5.000 3.007 2.514 3.507 . 0 0 "[ . 1]" 1
668 2 5 PHE QE 2 9 LEU QD 2.900 . 6.000 2.778 2.464 3.268 . 0 0 "[ . 1]" 1
669 2 6 PHE QD 2 9 LEU QD 4.000 . 6.000 5.324 4.475 5.765 . 0 0 "[ . 1]" 1
670 1 37 THR MG 2 6 PHE QD 4.300 . 6.000 3.440 3.188 3.640 . 0 0 "[ . 1]" 1
671 2 6 PHE QD 2 9 LEU QB 5.300 . 6.000 5.466 5.162 5.802 . 0 0 "[ . 1]" 1
672 2 5 PHE QE 2 9 LEU QB 4.000 . 6.000 4.517 3.684 5.259 . 0 0 "[ . 1]" 1
673 2 5 PHE QD 2 9 LEU QB 5.300 . 6.000 4.130 3.141 4.879 . 0 0 "[ . 1]" 1
674 1 24 PHE QD 2 9 LEU QD 2.500 . 6.000 2.701 2.080 3.523 . 0 0 "[ . 1]" 1
675 2 10 PHE HB3 2 10 PHE QE 4.800 . 6.000 4.400 4.381 4.422 . 0 0 "[ . 1]" 1
676 1 24 PHE QB 2 10 PHE QE 5.300 . 6.000 3.040 2.663 3.335 . 0 0 "[ . 1]" 1
677 1 24 PHE QB 2 10 PHE QD 3.800 . 4.100 2.404 2.070 2.901 . 0 0 "[ . 1]" 1
678 1 38 ARG HD3 1 56 PHE HZ 3.900 . 5.800 3.411 1.897 4.309 0.103 2 0 "[ . 1]" 1
679 1 38 ARG HB3 1 56 PHE QE 3.600 . 5.200 2.798 2.150 3.138 . 0 0 "[ . 1]" 1
680 1 24 PHE QE 1 38 ARG HB3 3.600 . 6.000 5.251 4.560 5.992 . 0 0 "[ . 1]" 1
681 1 24 PHE QE 1 38 ARG HD3 3.600 . 6.000 4.771 3.602 5.657 . 0 0 "[ . 1]" 1
682 1 38 ARG HD2 1 56 PHE HZ 3.200 . 4.500 2.809 1.967 3.915 . 0 0 "[ . 1]" 1
683 1 38 ARG HD2 1 56 PHE QE 3.100 . 4.300 2.920 1.882 3.941 0.018 9 0 "[ . 1]" 1
684 1 38 ARG HD2 1 56 PHE QD 4.200 . 6.000 5.093 4.013 6.062 0.062 2 0 "[ . 1]" 1
685 1 38 ARG HB3 1 56 PHE QD 5.000 . 6.000 4.785 4.373 5.092 . 0 0 "[ . 1]" 1
686 1 30 VAL HA 2 5 PHE QE 5.800 . 6.000 3.578 2.438 4.802 . 0 0 "[ . 1]" 1
687 1 24 PHE QD 2 10 PHE HB3 6.000 . 6.000 4.858 4.135 5.506 . 0 0 "[ . 1]" 1
688 1 20 THR MG 2 11 ASP HA 4.700 . 6.000 4.320 3.360 4.793 . 0 0 "[ . 1]" 1
689 1 24 PHE HZ 1 30 VAL MG2 4.100 . 6.000 3.330 3.067 3.541 . 0 0 "[ . 1]" 1
690 1 24 PHE HZ 1 30 VAL MG1 4.300 . 6.000 3.831 3.521 4.253 . 0 0 "[ . 1]" 1
691 1 24 PHE HZ 1 37 THR MG 5.100 . 6.000 4.823 4.610 5.207 . 0 0 "[ . 1]" 1
692 1 37 THR MG 1 41 PHE QE 3.500 . 6.000 4.963 4.886 5.033 . 0 0 "[ . 1]" 1
693 1 37 THR MG 2 6 PHE QE 3.000 . 4.100 2.526 1.950 2.777 . 0 0 "[ . 1]" 1
694 1 37 THR MG 2 6 PHE HZ 3.200 . 4.400 2.499 2.317 2.671 . 0 0 "[ . 1]" 1
695 1 37 THR MG 1 41 PHE HZ 4.900 . 6.000 6.219 6.188 6.267 0.267 5 0 "[ . 1]" 1
696 1 41 PHE HA 1 41 PHE HZ 4.200 . 6.000 6.104 6.020 6.180 0.180 8 0 "[ . 1]" 1
697 1 24 PHE QE 2 6 PHE HA 4.400 . 6.000 2.190 1.977 2.554 0.023 6 0 "[ . 1]" 1
698 1 24 PHE HZ 2 6 PHE HA 6.000 . 6.000 2.093 1.860 2.512 . 0 0 "[ . 1]" 1
699 1 24 PHE QD 2 6 PHE HA 6.000 . 6.000 4.370 4.171 4.606 . 0 0 "[ . 1]" 1
700 1 45 LYS HD3 2 10 PHE HZ 4.400 . 6.000 5.338 3.980 5.971 . 0 0 "[ . 1]" 1
701 1 45 LYS HD2 2 10 PHE HZ 4.100 . 6.000 5.642 5.060 6.048 0.048 6 0 "[ . 1]" 1
702 1 45 LYS HD3 2 10 PHE HB3 6.000 . 6.000 3.813 2.525 5.159 . 0 0 "[ . 1]" 1
703 1 45 LYS HD2 2 10 PHE HB3 6.000 . 6.000 4.336 3.211 5.964 . 0 0 "[ . 1]" 1
704 1 45 LYS HD2 2 10 PHE HB2 6.000 . 6.000 4.632 3.496 6.010 0.010 4 0 "[ . 1]" 1
705 1 45 LYS HD3 2 10 PHE HB2 6.000 . 6.000 4.362 3.218 5.475 . 0 0 "[ . 1]" 1
706 1 45 LYS HB3 2 10 PHE QE 5.700 . 6.000 2.670 2.153 3.905 . 0 0 "[ . 1]" 1
707 1 45 LYS HB2 2 10 PHE QE 6.000 . 6.000 3.687 2.699 4.712 . 0 0 "[ . 1]" 1
708 2 12 SER H 2 12 SER HB3 2.900 . 3.900 3.624 3.015 3.966 0.066 6 0 "[ . 1]" 1
709 2 11 ASP HA 2 12 SER H 3.500 . 6.000 3.532 3.442 3.579 . 0 0 "[ . 1]" 1
710 2 10 PHE HA 2 11 ASP H 3.600 . 5.300 3.370 3.289 3.564 . 0 0 "[ . 1]" 1
711 2 4 LYS HA 2 5 PHE H 3.800 . 5.600 3.472 3.353 3.509 . 0 0 "[ . 1]" 1
712 2 9 LEU H 2 9 LEU HA 2.500 . 3.300 2.843 2.794 2.883 . 0 0 "[ . 1]" 1
713 2 8 GLU HA 2 9 LEU H 2.800 . 3.800 3.518 3.443 3.570 . 0 0 "[ . 1]" 1
714 2 8 GLU H 2 8 GLU HA 2.700 . 3.600 2.828 2.791 2.877 . 0 0 "[ . 1]" 1
715 2 6 PHE HA 2 7 GLN H 3.400 . 4.800 3.477 3.426 3.563 . 0 0 "[ . 1]" 1
716 2 5 PHE HA 2 6 PHE H 3.400 . 4.800 3.487 3.399 3.547 . 0 0 "[ . 1]" 1
717 2 7 GLN H 2 7 GLN HA 2.300 . 3.000 2.913 2.885 2.932 . 0 0 "[ . 1]" 1
718 2 3 GLU HA 2 4 LYS H 3.700 . 5.400 3.527 3.502 3.580 . 0 0 "[ . 1]" 1
719 2 9 LEU H 2 9 LEU QB 2.500 . 3.300 2.287 2.126 2.500 . 0 0 "[ . 1]" 1
720 2 9 LEU QB 2 10 PHE H 2.900 . 4.000 3.040 2.734 3.338 . 0 0 "[ . 1]" 1
721 2 8 GLU HB3 2 9 LEU H 2.900 . 4.000 2.724 2.395 3.162 . 0 0 "[ . 1]" 1
722 2 8 GLU H 2 8 GLU HB3 3.100 . 4.300 2.643 2.454 3.227 . 0 0 "[ . 1]" 1
723 2 7 GLN H 2 7 GLN HB3 2.800 . 3.800 3.002 2.438 3.662 . 0 0 "[ . 1]" 1
724 2 7 GLN H 2 7 GLN HG3 3.600 . 5.300 3.752 2.509 4.618 . 0 0 "[ . 1]" 1
725 2 8 GLU H 2 8 GLU HG3 4.000 . 6.000 4.444 4.409 4.492 . 0 0 "[ . 1]" 1
726 2 8 GLU HG2 2 9 LEU H 6.000 . 6.000 4.325 3.520 5.364 . 0 0 "[ . 1]" 1
727 2 6 PHE H 2 6 PHE HB3 3.100 . 4.300 3.539 2.919 3.663 . 0 0 "[ . 1]" 1
728 2 6 PHE HB3 2 7 GLN H 3.400 . 4.800 3.741 2.978 4.080 . 0 0 "[ . 1]" 1
729 2 5 PHE HB2 2 6 PHE H 3.700 . 5.500 3.953 3.637 4.202 . 0 0 "[ . 1]" 1
730 2 5 PHE HB3 2 6 PHE H 3.500 . 5.100 2.885 2.577 3.156 . 0 0 "[ . 1]" 1
731 2 5 PHE H 2 5 PHE HB3 3.100 . 4.300 2.581 2.448 2.849 . 0 0 "[ . 1]" 1
732 2 10 PHE H 2 10 PHE HB2 2.500 . 3.300 2.537 2.350 2.707 . 0 0 "[ . 1]" 1
733 2 10 PHE H 2 10 PHE HB3 3.100 . 4.300 2.829 2.631 2.976 . 0 0 "[ . 1]" 1
734 2 4 LYS H 2 4 LYS HB3 3.000 . 4.100 2.856 2.437 3.609 . 0 0 "[ . 1]" 1
735 2 3 GLU H 2 3 GLU HB3 3.100 . 4.300 3.189 2.483 3.612 . 0 0 "[ . 1]" 1
736 2 3 GLU HB3 2 4 LYS H 3.400 . 4.900 3.410 2.487 3.904 . 0 0 "[ . 1]" 1
737 2 3 GLU H 2 3 GLU HG3 4.100 . 6.000 3.370 2.246 4.490 . 0 0 "[ . 1]" 1
738 2 11 ASP H 2 11 ASP HB2 2.900 . 4.000 2.535 2.418 2.633 . 0 0 "[ . 1]" 1
739 2 11 ASP H 2 11 ASP HB3 3.600 . 5.200 2.672 2.468 3.610 . 0 0 "[ . 1]" 1
740 2 4 LYS HB3 2 5 PHE H 3.200 . 4.500 3.241 2.685 4.197 . 0 0 "[ . 1]" 1
741 2 5 PHE H 2 5 PHE HB2 3.300 . 4.700 2.460 2.216 2.670 . 0 0 "[ . 1]" 1
742 2 9 LEU H 2 10 PHE HB2 4.500 . 6.000 4.621 4.390 4.845 . 0 0 "[ . 1]" 1
743 2 9 LEU H 2 10 PHE HB3 4.500 . 6.000 5.217 4.992 5.395 . 0 0 "[ . 1]" 1
744 2 10 PHE HB3 2 11 ASP H 3.600 . 5.200 3.283 2.383 3.591 . 0 0 "[ . 1]" 1
745 2 10 PHE HB2 2 11 ASP H 4.400 . 6.000 4.008 3.709 4.168 . 0 0 "[ . 1]" 1
746 2 11 ASP HB2 2 12 SER H 4.800 . 6.000 3.612 1.946 4.054 . 0 0 "[ . 1]" 1
747 2 11 ASP HB3 2 12 SER H 4.200 . 6.000 2.530 2.135 3.022 . 0 0 "[ . 1]" 1
748 2 8 GLU HG3 2 9 LEU H 4.500 . 6.000 4.638 3.621 5.000 . 0 0 "[ . 1]" 1
749 2 3 GLU HA 2 6 PHE H 3.700 . 5.400 3.458 3.035 4.052 . 0 0 "[ . 1]" 1
750 2 5 PHE HA 2 9 LEU H 4.100 . 6.000 3.631 3.161 3.982 . 0 0 "[ . 1]" 1
751 2 5 PHE HA 2 8 GLU H 4.000 . 6.000 4.254 4.036 4.646 . 0 0 "[ . 1]" 1
752 2 5 PHE HA 2 7 GLN H 4.600 . 6.000 4.315 3.977 4.990 . 0 0 "[ . 1]" 1
753 2 4 LYS H 2 4 LYS HG2 4.700 . 6.000 3.981 2.175 4.602 . 0 0 "[ . 1]" 1
754 2 3 GLU HB3 2 6 PHE H 3.400 . 6.000 5.279 4.692 5.969 . 0 0 "[ . 1]" 1
755 2 6 PHE H 2 7 GLN HB3 4.000 . 6.000 5.179 4.396 5.862 . 0 0 "[ . 1]" 1
756 2 3 GLU HG3 2 6 PHE H 3.400 . 6.000 5.972 4.974 6.930 0.930 5 2 "[ - + 1]" 1
757 2 6 PHE H 2 6 PHE QD 3.700 . 5.400 3.192 2.903 4.130 . 0 0 "[ . 1]" 1
758 2 5 PHE QD 2 6 PHE H 4.000 . 6.000 4.059 3.808 4.395 . 0 0 "[ . 1]" 1
759 2 5 PHE H 2 6 PHE H 3.400 . 4.900 2.551 2.421 2.676 . 0 0 "[ . 1]" 1
760 2 9 LEU H 2 10 PHE H 2.700 . 3.600 2.577 2.448 2.713 . 0 0 "[ . 1]" 1
761 2 6 PHE H 2 9 LEU H 2.500 . 6.000 4.865 4.340 5.145 . 0 0 "[ . 1]" 1
762 2 3 GLU HA 2 3 GLU HG3 3.800 . 5.600 2.966 2.478 4.263 . 0 0 "[ . 1]" 1
763 2 3 GLU HA 2 3 GLU HB3 3.000 . 4.200 2.645 2.443 3.026 . 0 0 "[ . 1]" 1
764 2 3 GLU HA 2 4 LYS HB3 5.000 . 6.000 6.047 5.580 6.636 0.636 10 3 "[ -* +]" 1
765 2 12 SER HA 2 12 SER HB3 2.500 . 3.300 2.629 2.323 3.034 . 0 0 "[ . 1]" 1
766 2 9 LEU HA 2 12 SER H 4.200 . 6.000 4.366 4.124 4.768 . 0 0 "[ . 1]" 1
767 2 7 GLN HA 2 10 PHE H 3.900 . 5.800 3.924 3.688 4.129 . 0 0 "[ . 1]" 1
768 2 7 GLN HA 2 10 PHE HB2 3.100 . 4.300 4.025 3.635 4.501 0.201 1 0 "[ . 1]" 1
769 2 6 PHE HA 2 9 LEU QB 3.600 . 5.300 3.919 3.668 4.200 . 0 0 "[ . 1]" 1
770 2 4 LYS HB3 2 7 GLN H 5.200 . 6.000 5.321 4.450 5.711 . 0 0 "[ . 1]" 1
771 2 3 GLU HG3 2 4 LYS H 5.100 . 6.000 4.560 3.913 4.936 . 0 0 "[ . 1]" 1
772 2 4 LYS HA 2 4 LYS HB3 2.600 . 3.500 2.823 2.449 3.027 . 0 0 "[ . 1]" 1
773 2 7 GLN HA 2 7 GLN HB3 2.300 . 2.900 2.745 2.412 3.027 0.127 4 0 "[ . 1]" 1
774 2 7 GLN HA 2 7 GLN HG3 3.100 . 4.300 3.046 2.568 3.760 . 0 0 "[ . 1]" 1
775 2 6 PHE HA 2 9 LEU QD 2.500 . 6.000 4.422 3.934 5.021 . 0 0 "[ . 1]" 1
776 2 8 GLU HA 2 8 GLU HB3 2.500 . 3.300 3.001 2.859 3.026 . 0 0 "[ . 1]" 1
777 2 5 PHE HA 2 8 GLU HB3 2.900 . 4.000 4.025 3.555 4.592 0.592 2 1 "[ + . 1]" 1
778 2 4 LYS HB3 2 5 PHE HA 4.100 . 6.000 4.464 4.061 5.729 . 0 0 "[ . 1]" 1
779 2 2 GLN HA 2 2 GLN HG2 4.400 . 6.000 3.170 2.538 3.768 . 0 0 "[ . 1]" 1
780 2 2 GLN HA 2 2 GLN HG3 3.700 . 5.400 3.138 2.509 3.763 . 0 0 "[ . 1]" 1
781 2 2 GLN HA 2 5 PHE HB3 3.900 . 5.800 3.261 2.427 4.066 . 0 0 "[ . 1]" 1
782 2 2 GLN HA 2 5 PHE HB2 3.000 . 4.200 3.241 2.423 4.457 0.257 7 0 "[ . 1]" 1
783 2 5 PHE HA 2 5 PHE HB2 2.600 . 3.400 2.518 2.445 2.672 . 0 0 "[ . 1]" 1
784 2 6 PHE HA 2 6 PHE HB3 2.900 . 3.900 2.565 2.455 2.969 . 0 0 "[ . 1]" 1
785 2 3 GLU HA 2 6 PHE HB3 3.800 . 5.600 4.739 3.468 6.128 0.528 6 1 "[ .+ 1]" 1
786 2 8 GLU HA 2 11 ASP HB3 3.900 . 5.800 3.633 2.906 4.679 . 0 0 "[ . 1]" 1
787 2 8 GLU HA 2 11 ASP HB2 3.000 . 4.100 3.202 2.569 3.941 . 0 0 "[ . 1]" 1
788 2 7 GLN HA 2 10 PHE HB3 2.900 . 4.000 3.717 3.055 4.084 0.084 6 0 "[ . 1]" 1
789 2 10 PHE HA 2 10 PHE HB2 2.800 . 3.800 2.623 2.515 2.715 . 0 0 "[ . 1]" 1
790 2 4 LYS HA 2 4 LYS HG3 3.400 . 4.800 2.905 2.472 3.738 . 0 0 "[ . 1]" 1
791 2 4 LYS HA 2 4 LYS HG2 3.600 . 5.200 3.041 2.417 3.791 . 0 0 "[ . 1]" 1
792 1 18 ILE H 1 19 ALA H 2.500 . 3.300 2.402 2.298 2.486 . 0 0 "[ . 1]" 1
793 1 19 ALA H 1 20 THR H 2.500 . 3.300 2.379 2.322 2.413 . 0 0 "[ . 1]" 1
794 1 53 ASP H 1 56 PHE H 4.600 . 6.000 3.841 3.654 3.968 . 0 0 "[ . 1]" 1
795 1 59 SER H 1 60 GLY H 2.500 . 3.300 2.267 2.160 2.390 . 0 0 "[ . 1]" 1
796 1 57 GLN H 1 60 GLY H 6.000 . 6.000 4.353 4.022 4.691 . 0 0 "[ . 1]" 1
797 1 13 PRO HA 1 17 LEU QD 5.800 . 6.000 3.292 2.540 4.377 . 0 0 "[ . 1]" 1
798 1 39 ARG HB2 1 41 PHE HA 3.700 . 6.000 6.242 5.938 6.600 0.600 2 2 "[-+ . 1]" 1
799 1 24 PHE QB 1 25 LEU QD 4.000 . 6.000 2.583 2.339 3.014 . 0 0 "[ . 1]" 1
800 1 29 ARG HB3 1 30 VAL MG2 4.100 . 6.000 4.188 3.264 4.972 . 0 0 "[ . 1]" 1
801 1 21 ALA MB 1 22 VAL MG2 3.400 . 4.900 3.213 2.984 4.512 . 0 0 "[ . 1]" 1
802 1 39 ARG HB2 1 40 ALA MB 3.600 . 5.300 3.814 3.444 4.173 . 0 0 "[ . 1]" 1
803 1 49 ASP HB2 1 52 ILE MG 4.000 . 6.000 3.997 3.720 4.225 . 0 0 "[ . 1]" 1
804 1 24 PHE QE 2 6 PHE HB3 5.700 . 6.000 3.105 2.435 4.359 . 0 0 "[ . 1]" 1
805 2 4 LYS HA 2 7 GLN H 2.500 . 3.300 2.709 2.594 2.800 . 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 40
_Distance_constraint_stats_list.Viol_count 126
_Distance_constraint_stats_list.Viol_total 58.155
_Distance_constraint_stats_list.Viol_max 0.196
_Distance_constraint_stats_list.Viol_rms 0.0314
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0145
_Distance_constraint_stats_list.Viol_average_violations_only 0.0462
_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 17 LEU 0.115 0.064 1 0 "[ . 1]"
1 18 ILE 0.021 0.013 1 0 "[ . 1]"
1 19 ALA 0.000 0.000 . 0 "[ . 1]"
1 20 THR 0.079 0.028 7 0 "[ . 1]"
1 21 ALA 0.690 0.083 4 0 "[ . 1]"
1 22 VAL 0.021 0.013 1 0 "[ . 1]"
1 23 LYS 0.000 0.000 . 0 "[ . 1]"
1 24 PHE 0.079 0.028 7 0 "[ . 1]"
1 25 LEU 0.576 0.083 4 0 "[ . 1]"
1 26 GLN 0.000 0.000 . 0 "[ . 1]"
1 34 PRO 0.381 0.108 2 0 "[ . 1]"
1 35 LEU 0.224 0.078 1 0 "[ . 1]"
1 37 THR 0.566 0.096 3 0 "[ . 1]"
1 38 ARG 0.443 0.108 2 0 "[ . 1]"
1 39 ARG 0.695 0.091 9 0 "[ . 1]"
1 40 ALA 0.064 0.055 3 0 "[ . 1]"
1 41 PHE 0.658 0.096 3 0 "[ . 1]"
1 42 LEU 0.062 0.049 3 0 "[ . 1]"
1 43 LYS 0.471 0.091 9 0 "[ . 1]"
1 44 LYS 0.064 0.055 3 0 "[ . 1]"
1 45 LYS 0.092 0.046 6 0 "[ . 1]"
1 48 THR 0.054 0.041 3 0 "[ . 1]"
1 49 ASP 0.693 0.103 8 0 "[ . 1]"
1 50 GLU 0.454 0.126 9 0 "[ . 1]"
1 51 GLU 0.016 0.016 3 0 "[ . 1]"
1 52 ILE 0.085 0.041 3 0 "[ . 1]"
1 53 ASP 2.217 0.196 6 0 "[ . 1]"
1 54 MET 0.847 0.136 8 0 "[ . 1]"
1 55 ALA 0.016 0.016 3 0 "[ . 1]"
1 56 PHE 0.031 0.027 2 0 "[ . 1]"
1 57 GLN 1.524 0.196 6 0 "[ . 1]"
1 58 GLN 0.393 0.136 8 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 17 LEU O 1 21 ALA H 1.800 . 2.300 1.943 1.874 2.037 . 0 0 "[ . 1]" 2
2 1 17 LEU O 1 21 ALA N 2.800 2.800 3.300 2.828 2.736 2.923 0.064 1 0 "[ . 1]" 2
3 1 18 ILE O 1 22 VAL H 1.800 . 2.300 1.929 1.807 2.099 . 0 0 "[ . 1]" 2
4 1 18 ILE O 1 22 VAL N 2.800 2.800 3.300 2.882 2.787 3.053 0.013 1 0 "[ . 1]" 2
5 1 19 ALA O 1 23 LYS H 1.800 . 2.300 2.098 1.920 2.205 . 0 0 "[ . 1]" 2
6 1 19 ALA O 1 23 LYS N 2.800 2.800 3.300 3.054 2.870 3.159 . 0 0 "[ . 1]" 2
7 1 20 THR O 1 24 PHE H 1.800 . 2.300 2.030 1.802 2.328 0.028 7 0 "[ . 1]" 2
8 1 20 THR O 1 24 PHE N 2.800 2.800 3.300 2.933 2.776 3.168 0.024 3 0 "[ . 1]" 2
9 1 21 ALA O 1 25 LEU H 1.800 . 2.300 1.800 1.742 1.886 0.058 4 0 "[ . 1]" 2
10 1 21 ALA O 1 25 LEU N 2.800 2.800 3.300 2.765 2.717 2.845 0.083 4 0 "[ . 1]" 2
11 1 22 VAL O 1 26 GLN H 1.800 . 2.300 2.020 1.852 2.186 . 0 0 "[ . 1]" 2
12 1 22 VAL O 1 26 GLN N 2.800 2.800 3.300 2.968 2.829 3.136 . 0 0 "[ . 1]" 2
13 1 34 PRO O 1 38 ARG H 1.800 . 2.300 2.299 2.109 2.408 0.108 2 0 "[ . 1]" 2
14 1 34 PRO O 1 38 ARG N 2.800 2.800 3.300 3.246 3.090 3.336 0.036 6 0 "[ . 1]" 2
15 1 35 LEU O 1 39 ARG H 1.800 . 2.300 1.928 1.788 2.205 0.012 1 0 "[ . 1]" 2
16 1 35 LEU O 1 39 ARG N 2.800 2.800 3.300 2.843 2.722 3.124 0.078 1 0 "[ . 1]" 2
17 1 37 THR O 1 41 PHE H 1.800 . 2.300 1.824 1.780 1.861 0.020 10 0 "[ . 1]" 2
18 1 37 THR O 1 41 PHE N 2.800 2.800 3.300 2.748 2.704 2.784 0.096 3 0 "[ . 1]" 2
19 1 38 ARG O 1 42 LEU H 1.800 . 2.300 2.061 1.873 2.349 0.049 3 0 "[ . 1]" 2
20 1 38 ARG O 1 42 LEU N 2.800 2.800 3.300 3.031 2.817 3.313 0.013 3 0 "[ . 1]" 2
21 1 39 ARG O 1 43 LYS H 1.800 . 2.300 2.301 1.926 2.391 0.091 9 0 "[ . 1]" 2
22 1 39 ARG O 1 43 LYS N 2.800 2.800 3.300 3.252 2.891 3.330 0.030 5 0 "[ . 1]" 2
23 1 40 ALA O 1 44 LYS H 1.800 . 2.300 1.945 1.833 2.068 . 0 0 "[ . 1]" 2
24 1 40 ALA O 1 44 LYS N 2.800 2.800 3.300 2.848 2.745 3.012 0.055 3 0 "[ . 1]" 2
25 1 41 PHE O 1 45 LYS H 1.800 . 2.300 2.093 1.935 2.312 0.012 2 0 "[ . 1]" 2
26 1 41 PHE O 1 45 LYS N 2.800 2.800 3.300 2.888 2.754 3.101 0.046 6 0 "[ . 1]" 2
27 1 48 THR O 1 52 ILE H 1.800 . 2.300 2.149 1.949 2.341 0.041 3 0 "[ . 1]" 2
28 1 48 THR O 1 52 ILE N 2.800 2.800 3.300 2.987 2.787 3.210 0.013 6 0 "[ . 1]" 2
29 1 49 ASP O 1 53 ASP H 1.800 . 2.300 2.311 2.036 2.403 0.103 8 0 "[ . 1]" 2
30 1 49 ASP O 1 53 ASP N 2.800 2.800 3.300 3.262 2.986 3.341 0.041 1 0 "[ . 1]" 2
31 1 50 GLU O 1 54 MET H 1.800 . 2.300 2.326 2.171 2.426 0.126 9 0 "[ . 1]" 2
32 1 50 GLU O 1 54 MET N 2.800 2.800 3.300 3.146 3.024 3.265 . 0 0 "[ . 1]" 2
33 1 51 GLU O 1 55 ALA H 1.800 . 2.300 1.960 1.841 2.033 . 0 0 "[ . 1]" 2
34 1 51 GLU O 1 55 ALA N 2.800 2.800 3.300 2.898 2.784 2.990 0.016 3 0 "[ . 1]" 2
35 1 52 ILE O 1 56 PHE H 1.800 . 2.300 1.940 1.822 2.171 . 0 0 "[ . 1]" 2
36 1 52 ILE O 1 56 PHE N 2.800 2.800 3.300 2.890 2.773 3.102 0.027 2 0 "[ . 1]" 2
37 1 53 ASP O 1 57 GLN H 1.800 . 2.300 1.834 1.722 2.025 0.078 6 0 "[ . 1]" 2
38 1 53 ASP O 1 57 GLN N 2.800 2.800 3.300 2.662 2.604 2.721 0.196 6 0 "[ . 1]" 2
39 1 54 MET O 1 58 GLN H 1.800 . 2.300 2.198 1.948 2.436 0.136 8 0 "[ . 1]" 2
40 1 54 MET O 1 58 GLN N 2.800 2.800 3.300 3.137 2.904 3.365 0.065 8 0 "[ . 1]" 2
stop_
save_
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