NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438222 |
2k4e   |
16887 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k4e
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 818
_Distance_constraint_stats_list.Viol_count 1297
_Distance_constraint_stats_list.Viol_total 625.279
_Distance_constraint_stats_list.Viol_max 0.245
_Distance_constraint_stats_list.Viol_rms 0.0103
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0241
_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 6 VAL 0.418 0.054 18 0 "[ . 1 . 2]"
1 7 LEU 0.496 0.037 11 0 "[ . 1 . 2]"
1 8 ARG 0.463 0.039 11 0 "[ . 1 . 2]"
1 9 GLY 0.352 0.039 11 0 "[ . 1 . 2]"
1 10 LYS 0.265 0.034 16 0 "[ . 1 . 2]"
1 11 LYS 0.349 0.076 11 0 "[ . 1 . 2]"
1 12 ALA 0.425 0.037 11 0 "[ . 1 . 2]"
1 13 ASP 0.330 0.034 16 0 "[ . 1 . 2]"
1 14 GLU 0.020 0.009 11 0 "[ . 1 . 2]"
1 15 LEU 0.374 0.033 16 0 "[ . 1 . 2]"
1 16 GLU 0.063 0.015 8 0 "[ . 1 . 2]"
1 17 ARG 0.027 0.009 19 0 "[ . 1 . 2]"
1 18 ILE 0.208 0.021 10 0 "[ . 1 . 2]"
1 19 ARG 0.024 0.017 13 0 "[ . 1 . 2]"
1 20 LEU 0.312 0.145 13 0 "[ . 1 . 2]"
1 21 ARG 0.598 0.093 13 0 "[ . 1 . 2]"
1 22 PRO 0.679 0.066 18 0 "[ . 1 . 2]"
1 23 GLY 0.210 0.041 13 0 "[ . 1 . 2]"
1 24 GLY 0.171 0.058 13 0 "[ . 1 . 2]"
1 25 LYS 0.058 0.058 13 0 "[ . 1 . 2]"
1 26 LYS 0.145 0.145 13 0 "[ . 1 . 2]"
1 27 LYS 0.027 0.009 19 0 "[ . 1 . 2]"
1 28 TYR 0.100 0.015 6 0 "[ . 1 . 2]"
1 29 ARG 0.088 0.019 18 0 "[ . 1 . 2]"
1 30 LEU 0.193 0.023 17 0 "[ . 1 . 2]"
1 31 LYS 0.318 0.020 7 0 "[ . 1 . 2]"
1 32 HIS 0.157 0.019 18 0 "[ . 1 . 2]"
1 33 ILE 0.281 0.023 17 0 "[ . 1 . 2]"
1 34 VAL 0.500 0.038 17 0 "[ . 1 . 2]"
1 35 TRP 1.101 0.051 5 0 "[ . 1 . 2]"
1 36 ALA 0.668 0.047 5 0 "[ . 1 . 2]"
1 37 ALA 1.268 0.063 13 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.203 0.037 10 0 "[ . 1 . 2]"
1 40 LEU 2.846 0.106 9 0 "[ . 1 . 2]"
1 41 ASP 2.157 0.115 9 0 "[ . 1 . 2]"
1 42 ARG 0.858 0.083 10 0 "[ . 1 . 2]"
1 43 PHE 0.436 0.039 17 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 17 0 "[ . 1 . 2]"
1 45 LEU 2.154 0.106 9 0 "[ . 1 . 2]"
1 46 ALA 0.277 0.113 4 0 "[ . 1 . 2]"
1 47 GLU 1.280 0.115 9 0 "[ . 1 . 2]"
1 48 SER 0.511 0.113 4 0 "[ . 1 . 2]"
1 49 LEU 1.085 0.111 15 0 "[ . 1 . 2]"
1 50 LEU 2.477 0.111 15 0 "[ . 1 . 2]"
1 51 GLU 0.554 0.054 18 0 "[ . 1 . 2]"
1 52 SER 0.101 0.014 12 0 "[ . 1 . 2]"
1 53 LYS 0.735 0.057 14 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.227 0.039 19 0 "[ . 1 . 2]"
1 56 CYS 0.146 0.025 8 0 "[ . 1 . 2]"
1 57 GLN 0.032 0.026 11 0 "[ . 1 . 2]"
1 58 LYS 1.919 0.144 8 0 "[ . 1 . 2]"
1 59 ILE 2.358 0.245 16 0 "[ . 1 . 2]"
1 60 LEU 2.046 0.245 16 0 "[ . 1 . 2]"
1 61 THR 1.782 0.144 8 0 "[ . 1 . 2]"
1 62 VAL 0.276 0.071 18 0 "[ . 1 . 2]"
1 63 LEU 0.418 0.046 5 0 "[ . 1 . 2]"
1 64 ASP 0.086 0.024 20 0 "[ . 1 . 2]"
1 65 PRO 0.037 0.012 17 0 "[ . 1 . 2]"
1 66 MET 0.065 0.027 10 0 "[ . 1 . 2]"
1 67 VAL 0.457 0.043 4 0 "[ . 1 . 2]"
1 68 PRO 0.267 0.107 17 0 "[ . 1 . 2]"
1 69 THR 1.630 0.174 2 0 "[ . 1 . 2]"
1 70 GLY 1.429 0.174 2 0 "[ . 1 . 2]"
1 71 SER 0.009 0.007 13 0 "[ . 1 . 2]"
1 72 GLU 0.387 0.101 17 0 "[ . 1 . 2]"
1 73 ASN 0.126 0.027 12 0 "[ . 1 . 2]"
1 74 LEU 0.358 0.055 20 0 "[ . 1 . 2]"
1 75 LYS 0.665 0.101 17 0 "[ . 1 . 2]"
1 76 SER 0.233 0.036 12 0 "[ . 1 . 2]"
1 77 LEU 0.756 0.055 20 0 "[ . 1 . 2]"
1 78 PHE 0.324 0.043 4 0 "[ . 1 . 2]"
1 79 ASN 0.389 0.028 3 0 "[ . 1 . 2]"
1 80 THR 0.239 0.021 9 0 "[ . 1 . 2]"
1 81 VAL 1.085 0.078 7 0 "[ . 1 . 2]"
1 82 CYS 0.446 0.071 5 0 "[ . 1 . 2]"
1 83 VAL 0.715 0.049 18 0 "[ . 1 . 2]"
1 84 ILE 0.854 0.046 16 0 "[ . 1 . 2]"
1 85 TRP 0.742 0.062 9 0 "[ . 1 . 2]"
1 86 CYS 0.222 0.062 9 0 "[ . 1 . 2]"
1 87 ILE 0.237 0.031 15 0 "[ . 1 . 2]"
1 88 HIS 0.846 0.057 14 0 "[ . 1 . 2]"
1 89 ALA 0.410 0.037 10 0 "[ . 1 . 2]"
1 90 GLU 0.066 0.042 8 0 "[ . 1 . 2]"
1 91 GLU 0.293 0.042 8 0 "[ . 1 . 2]"
1 92 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 VAL 0.628 0.051 14 0 "[ . 1 . 2]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASP 2.053 0.140 6 0 "[ . 1 . 2]"
1 96 THR 0.937 0.066 18 0 "[ . 1 . 2]"
1 97 GLU 1.116 0.193 19 0 "[ . 1 . 2]"
1 98 GLY 0.416 0.057 16 0 "[ . 1 . 2]"
1 99 ALA 1.322 0.120 19 0 "[ . 1 . 2]"
1 100 LYS 1.208 0.193 19 0 "[ . 1 . 2]"
1 101 GLN 1.133 0.107 17 0 "[ . 1 . 2]"
1 102 ILE 1.011 0.120 19 0 "[ . 1 . 2]"
1 103 VAL 0.544 0.071 5 0 "[ . 1 . 2]"
1 104 ARG 0.607 0.107 17 0 "[ . 1 . 2]"
1 105 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 HIS 0.162 0.024 19 0 "[ . 1 . 2]"
1 107 LEU 0.000 0.000 9 0 "[ . 1 . 2]"
1 108 VAL 0.001 0.001 5 0 "[ . 1 . 2]"
1 109 ALA 0.000 0.000 2 0 "[ . 1 . 2]"
1 110 GLU 0.001 0.001 5 0 "[ . 1 . 2]"
1 111 THR 0.001 0.001 5 0 "[ . 1 . 2]"
1 112 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 THR 0.001 0.001 5 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 MET 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 GLY H 1 10 LYS H . . 2.900 2.727 2.617 2.813 . 0 0 "[ . 1 . 2]" 1
2 1 10 LYS H 1 11 LYS H . . 2.900 2.521 2.173 2.647 . 0 0 "[ . 1 . 2]" 1
3 1 11 LYS H 1 12 ALA H . . 2.900 2.527 2.377 2.688 . 0 0 "[ . 1 . 2]" 1
4 1 12 ALA H 1 13 ASP H . . 2.900 2.817 2.792 2.848 . 0 0 "[ . 1 . 2]" 1
5 1 13 ASP H 1 14 GLU H . . 2.900 2.857 2.731 2.909 0.009 11 0 "[ . 1 . 2]" 1
6 1 14 GLU H 1 15 LEU H . . 2.900 2.785 2.473 2.856 . 0 0 "[ . 1 . 2]" 1
7 1 15 LEU H 1 16 GLU H . . 2.900 2.811 2.697 2.914 0.014 2 0 "[ . 1 . 2]" 1
8 1 16 GLU H 1 17 ARG H . . 2.900 2.623 2.547 2.714 . 0 0 "[ . 1 . 2]" 1
9 1 17 ARG H 1 18 ILE H . . 2.900 2.463 2.355 2.562 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLY H 1 11 LYS H . . 5.000 4.024 3.852 4.338 . 0 0 "[ . 1 . 2]" 1
11 1 10 LYS H 1 12 ALA H . . 5.000 4.062 3.908 4.204 . 0 0 "[ . 1 . 2]" 1
12 1 11 LYS H 1 13 ASP H . . 5.000 4.201 4.027 4.383 . 0 0 "[ . 1 . 2]" 1
13 1 12 ALA H 1 14 GLU H . . 5.000 4.601 4.299 4.781 . 0 0 "[ . 1 . 2]" 1
14 1 13 ASP H 1 15 LEU H . . 5.000 4.116 3.980 4.348 . 0 0 "[ . 1 . 2]" 1
15 1 14 GLU H 1 16 GLU H . . 5.000 4.579 4.255 4.701 . 0 0 "[ . 1 . 2]" 1
16 1 16 GLU H 1 18 ILE H . . 5.000 4.362 4.225 4.608 . 0 0 "[ . 1 . 2]" 1
17 1 8 ARG H 1 11 LYS H . . 5.000 3.507 3.328 3.599 . 0 0 "[ . 1 . 2]" 1
18 1 12 ALA H 1 15 LEU H . . 5.000 4.979 4.891 5.027 0.027 16 0 "[ . 1 . 2]" 1
19 1 13 ASP H 1 16 GLU H . . 5.000 4.949 4.886 5.015 0.015 8 0 "[ . 1 . 2]" 1
20 1 15 LEU H 1 18 ILE H . . 5.000 4.842 4.699 4.944 . 0 0 "[ . 1 . 2]" 1
21 1 8 ARG HA 1 9 GLY H . . 2.700 2.715 2.643 2.739 0.039 11 0 "[ . 1 . 2]" 1
22 1 12 ALA HA 1 14 GLU H . . 5.000 4.700 3.912 4.938 . 0 0 "[ . 1 . 2]" 1
23 1 13 ASP HA 1 15 LEU H . . 5.000 4.284 4.059 4.637 . 0 0 "[ . 1 . 2]" 1
24 1 14 GLU HA 1 16 GLU H . . 5.000 4.791 4.683 4.874 . 0 0 "[ . 1 . 2]" 1
25 1 15 LEU HA 1 17 ARG H . . 5.000 3.909 3.797 3.990 . 0 0 "[ . 1 . 2]" 1
26 1 16 GLU HA 1 18 ILE H . . 5.000 4.320 4.014 4.671 . 0 0 "[ . 1 . 2]" 1
27 1 9 GLY HA2 1 12 ALA H . . 5.000 3.666 3.551 3.941 . 0 0 "[ . 1 . 2]" 1
28 1 10 LYS HA 1 13 ASP H . . 5.000 3.804 3.696 3.942 . 0 0 "[ . 1 . 2]" 1
29 1 11 LYS HA 1 14 GLU H . . 5.000 3.486 3.358 3.566 . 0 0 "[ . 1 . 2]" 1
30 1 12 ALA HA 1 15 LEU H . . 5.000 3.543 3.121 3.652 . 0 0 "[ . 1 . 2]" 1
31 1 13 ASP HA 1 16 GLU H . . 5.000 3.612 3.393 3.951 . 0 0 "[ . 1 . 2]" 1
32 1 14 GLU HA 1 17 ARG H . . 5.000 3.492 3.375 3.608 . 0 0 "[ . 1 . 2]" 1
33 1 15 LEU HA 1 18 ILE H . . 5.000 3.506 3.377 3.681 . 0 0 "[ . 1 . 2]" 1
34 1 8 ARG HA 1 12 ALA H . . 5.000 4.779 4.695 4.918 . 0 0 "[ . 1 . 2]" 1
35 1 9 GLY HA2 1 13 ASP H . . 5.000 4.792 4.593 4.967 . 0 0 "[ . 1 . 2]" 1
36 1 11 LYS HA 1 15 LEU H . . 5.000 4.564 4.401 4.913 . 0 0 "[ . 1 . 2]" 1
37 1 9 GLY HA2 1 12 ALA MB . . 3.300 2.731 2.617 3.126 . 0 0 "[ . 1 . 2]" 1
38 1 10 LYS HA 1 13 ASP QB . . 3.300 3.308 3.202 3.334 0.034 16 0 "[ . 1 . 2]" 1
39 1 11 LYS HA 1 14 GLU QB . . 3.300 2.962 2.799 3.197 . 0 0 "[ . 1 . 2]" 1
40 1 12 ALA HA 1 15 LEU HB2 . . 3.300 3.158 2.664 3.333 0.033 16 0 "[ . 1 . 2]" 1
41 1 12 ALA HA 1 15 LEU HB3 . . 3.300 3.108 2.968 3.315 0.015 6 0 "[ . 1 . 2]" 1
42 1 13 ASP HA 1 16 GLU QB . . 3.300 3.034 2.823 3.203 . 0 0 "[ . 1 . 2]" 1
43 1 18 ILE HA 1 19 ARG H . . 2.700 2.170 2.151 2.213 . 0 0 "[ . 1 . 2]" 1
44 1 19 ARG HA 1 20 LEU H . . 2.700 2.195 2.175 2.249 . 0 0 "[ . 1 . 2]" 1
45 1 20 LEU H 1 21 ARG H . . 2.700 2.701 2.662 2.793 0.093 13 0 "[ . 1 . 2]" 1
46 1 23 GLY H 1 24 GLY H . . 3.300 2.492 2.252 2.673 . 0 0 "[ . 1 . 2]" 1
47 1 24 GLY HA2 1 25 LYS H . . 2.700 2.628 2.555 2.758 0.058 13 0 "[ . 1 . 2]" 1
48 1 24 GLY HA3 1 25 LYS H . . 2.700 2.498 2.384 2.568 . 0 0 "[ . 1 . 2]" 1
49 1 25 LYS H 1 26 LYS H . . 2.700 2.185 1.955 2.353 . 0 0 "[ . 1 . 2]" 1
50 1 26 LYS HA 1 27 LYS H . . 2.700 2.202 2.145 2.281 . 0 0 "[ . 1 . 2]" 1
51 1 27 LYS HA 1 28 TYR H . . 2.700 2.407 2.249 2.590 . 0 0 "[ . 1 . 2]" 1
52 1 28 TYR HA 1 29 ARG H . . 2.700 2.279 2.241 2.331 . 0 0 "[ . 1 . 2]" 1
53 1 16 GLU HA 1 29 ARG HA . . 5.000 4.252 3.906 4.720 . 0 0 "[ . 1 . 2]" 1
54 1 19 ARG HA 1 27 LYS HA . . 2.700 2.046 1.971 2.276 . 0 0 "[ . 1 . 2]" 1
55 1 19 ARG QB 1 27 LYS HA . . 5.000 4.040 3.614 4.387 . 0 0 "[ . 1 . 2]" 1
56 1 16 GLU HA 1 28 TYR H . . 5.000 3.967 3.650 4.316 . 0 0 "[ . 1 . 2]" 1
57 1 19 ARG HA 1 28 TYR H . . 5.000 3.632 3.310 3.863 . 0 0 "[ . 1 . 2]" 1
58 1 20 LEU H 1 27 LYS HA . . 3.300 2.340 2.115 2.816 . 0 0 "[ . 1 . 2]" 1
59 1 21 ARG H 1 24 GLY HA3 . . 5.000 3.936 3.741 4.450 . 0 0 "[ . 1 . 2]" 1
60 1 22 PRO HA 1 24 GLY H . . 5.000 4.390 3.986 5.037 0.037 10 0 "[ . 1 . 2]" 1
61 1 18 ILE H 1 28 TYR H . . 5.000 4.583 4.354 4.800 . 0 0 "[ . 1 . 2]" 1
62 1 19 ARG H 1 96 THR H . . 5.000 4.689 4.191 4.873 . 0 0 "[ . 1 . 2]" 1
63 1 20 LEU H 1 26 LYS H . . 5.000 4.303 4.092 5.145 0.145 13 0 "[ . 1 . 2]" 1
64 1 21 ARG H 1 24 GLY H . . 5.000 4.099 3.902 4.639 . 0 0 "[ . 1 . 2]" 1
65 1 29 ARG H 1 30 LEU H . . 5.000 4.424 4.410 4.440 . 0 0 "[ . 1 . 2]" 1
66 1 30 LEU H 1 31 LYS H . . 2.900 2.885 2.853 2.920 0.020 7 0 "[ . 1 . 2]" 1
67 1 31 LYS H 1 32 HIS H . . 2.900 2.872 2.843 2.907 0.007 13 0 "[ . 1 . 2]" 1
68 1 32 HIS H 1 33 ILE H . . 2.900 2.702 2.641 2.748 . 0 0 "[ . 1 . 2]" 1
69 1 33 ILE H 1 34 VAL H . . 2.900 2.585 2.450 2.664 . 0 0 "[ . 1 . 2]" 1
70 1 34 VAL H 1 35 TRP H . . 2.900 2.844 2.765 2.931 0.031 6 0 "[ . 1 . 2]" 1
71 1 35 TRP H 1 36 ALA H . . 2.900 2.869 2.804 2.930 0.030 7 0 "[ . 1 . 2]" 1
72 1 36 ALA H 1 37 ALA H . . 2.900 2.865 2.718 2.945 0.045 5 0 "[ . 1 . 2]" 1
73 1 37 ALA H 1 38 ASN H . . 2.900 2.745 2.665 2.833 . 0 0 "[ . 1 . 2]" 1
74 1 38 ASN H 1 39 LYS H . . 2.900 2.759 2.600 2.836 . 0 0 "[ . 1 . 2]" 1
75 1 39 LYS H 1 40 LEU H . . 2.900 2.831 2.788 2.898 . 0 0 "[ . 1 . 2]" 1
76 1 40 LEU H 1 41 ASP H . . 2.900 2.939 2.910 2.967 0.067 17 0 "[ . 1 . 2]" 1
77 1 41 ASP H 1 42 ARG H . . 2.900 2.922 2.872 2.983 0.083 10 0 "[ . 1 . 2]" 1
78 1 42 ARG H 1 43 PHE H . . 2.900 2.894 2.846 2.921 0.021 7 0 "[ . 1 . 2]" 1
79 1 43 PHE H 1 44 GLY H . . 2.900 2.849 2.776 2.900 0.000 17 0 "[ . 1 . 2]" 1
80 1 44 GLY H 1 45 LEU H . . 2.900 1.892 1.782 2.032 . 0 0 "[ . 1 . 2]" 1
81 1 30 LEU H 1 32 HIS H . . 5.000 4.477 4.386 4.524 . 0 0 "[ . 1 . 2]" 1
82 1 31 LYS H 1 33 ILE H . . 5.000 4.188 4.073 4.280 . 0 0 "[ . 1 . 2]" 1
83 1 32 HIS H 1 34 VAL H . . 5.000 4.277 4.222 4.370 . 0 0 "[ . 1 . 2]" 1
84 1 33 ILE H 1 35 TRP H . . 5.000 4.497 4.376 4.597 . 0 0 "[ . 1 . 2]" 1
85 1 34 VAL H 1 36 ALA H . . 5.000 4.140 4.073 4.225 . 0 0 "[ . 1 . 2]" 1
86 1 35 TRP H 1 37 ALA H . . 5.000 4.708 4.628 4.834 . 0 0 "[ . 1 . 2]" 1
87 1 36 ALA H 1 38 ASN H . . 5.000 3.944 3.854 4.045 . 0 0 "[ . 1 . 2]" 1
88 1 37 ALA H 1 39 LYS H . . 5.000 4.625 4.468 4.740 . 0 0 "[ . 1 . 2]" 1
89 1 38 ASN H 1 40 LEU H . . 5.000 3.948 3.841 4.050 . 0 0 "[ . 1 . 2]" 1
90 1 39 LYS H 1 41 ASP H . . 5.000 4.962 4.918 4.998 . 0 0 "[ . 1 . 2]" 1
91 1 40 LEU H 1 42 ARG H . . 5.000 4.066 3.993 4.160 . 0 0 "[ . 1 . 2]" 1
92 1 41 ASP H 1 43 PHE H . . 5.000 4.754 4.648 4.825 . 0 0 "[ . 1 . 2]" 1
93 1 42 ARG H 1 44 GLY H . . 5.000 4.082 4.039 4.122 . 0 0 "[ . 1 . 2]" 1
94 1 43 PHE H 1 45 LEU H . . 5.000 4.245 4.110 4.383 . 0 0 "[ . 1 . 2]" 1
95 1 29 ARG H 1 32 HIS H . . 5.000 3.240 3.152 3.368 . 0 0 "[ . 1 . 2]" 1
96 1 30 LEU H 1 33 ILE H . . 5.000 4.981 4.898 5.023 0.023 17 0 "[ . 1 . 2]" 1
97 1 31 LYS H 1 34 VAL H . . 5.000 4.988 4.926 5.020 0.020 16 0 "[ . 1 . 2]" 1
98 1 34 VAL H 1 37 ALA H . . 5.000 4.953 4.806 5.038 0.038 17 0 "[ . 1 . 2]" 1
99 1 35 TRP H 1 38 ASN H . . 5.000 4.762 4.679 4.854 . 0 0 "[ . 1 . 2]" 1
100 1 36 ALA H 1 39 LYS H . . 5.000 4.748 4.593 4.847 . 0 0 "[ . 1 . 2]" 1
101 1 37 ALA H 1 40 LEU H . . 5.000 5.005 4.935 5.063 0.063 13 0 "[ . 1 . 2]" 1
102 1 39 LYS H 1 42 ARG H . . 5.000 5.001 4.965 5.037 0.037 10 0 "[ . 1 . 2]" 1
103 1 29 ARG HA 1 30 LEU H . . 2.700 2.418 2.364 2.464 . 0 0 "[ . 1 . 2]" 1
104 1 37 ALA HA 1 39 LYS H . . 5.000 4.930 4.856 5.015 0.015 17 0 "[ . 1 . 2]" 1
105 1 38 ASN HA 1 40 LEU H . . 5.000 4.076 3.997 4.135 . 0 0 "[ . 1 . 2]" 1
106 1 42 ARG HA 1 44 GLY H . . 5.000 4.475 4.389 4.553 . 0 0 "[ . 1 . 2]" 1
107 1 30 LEU HA 1 33 ILE H . . 5.000 3.179 3.094 3.230 . 0 0 "[ . 1 . 2]" 1
108 1 31 LYS HA 1 34 VAL H . . 5.000 3.629 3.548 3.765 . 0 0 "[ . 1 . 2]" 1
109 1 32 HIS HA 1 35 TRP H . . 5.000 3.719 3.560 3.853 . 0 0 "[ . 1 . 2]" 1
110 1 33 ILE HA 1 36 ALA H . . 5.000 3.669 3.573 3.737 . 0 0 "[ . 1 . 2]" 1
111 1 34 VAL HA 1 37 ALA H . . 5.000 3.643 3.405 3.845 . 0 0 "[ . 1 . 2]" 1
112 1 35 TRP HA 1 38 ASN H . . 5.000 3.667 3.492 3.854 . 0 0 "[ . 1 . 2]" 1
113 1 36 ALA HA 1 39 LYS H . . 5.000 3.745 3.505 3.937 . 0 0 "[ . 1 . 2]" 1
114 1 37 ALA HA 1 40 LEU H . . 5.000 3.744 3.677 3.858 . 0 0 "[ . 1 . 2]" 1
115 1 38 ASN HA 1 41 ASP H . . 5.000 3.729 3.630 3.822 . 0 0 "[ . 1 . 2]" 1
116 1 39 LYS HA 1 42 ARG H . . 5.000 3.826 3.697 3.921 . 0 0 "[ . 1 . 2]" 1
117 1 40 LEU HA 1 43 PHE H . . 5.000 3.797 3.639 3.917 . 0 0 "[ . 1 . 2]" 1
118 1 41 ASP HA 1 44 GLY H . . 5.000 3.821 3.725 3.907 . 0 0 "[ . 1 . 2]" 1
119 1 31 LYS HA 1 35 TRP H . . 5.000 4.488 4.350 4.587 . 0 0 "[ . 1 . 2]" 1
120 1 32 HIS HA 1 36 ALA H . . 5.000 4.445 4.203 4.628 . 0 0 "[ . 1 . 2]" 1
121 1 30 LEU HA 1 33 ILE HB . . 3.300 2.991 2.852 3.091 . 0 0 "[ . 1 . 2]" 1
122 1 31 LYS HA 1 34 VAL HB . . 3.300 3.299 3.254 3.317 0.017 18 0 "[ . 1 . 2]" 1
123 1 32 HIS HA 1 35 TRP QB . . 3.300 3.087 2.888 3.263 . 0 0 "[ . 1 . 2]" 1
124 1 33 ILE HA 1 36 ALA MB . . 3.300 2.749 2.515 2.929 . 0 0 "[ . 1 . 2]" 1
125 1 34 VAL HA 1 37 ALA MB . . 3.300 2.991 2.631 3.300 . 0 0 "[ . 1 . 2]" 1
126 1 35 TRP HA 1 38 ASN QB . . 3.300 2.554 2.279 2.877 . 0 0 "[ . 1 . 2]" 1
127 1 36 ALA HA 1 39 LYS QB . . 3.300 2.897 2.495 3.249 . 0 0 "[ . 1 . 2]" 1
128 1 37 ALA HA 1 40 LEU QB . . 5.000 2.953 2.735 3.176 . 0 0 "[ . 1 . 2]" 1
129 1 38 ASN HA 1 41 ASP QB . . 3.300 3.106 2.871 3.288 . 0 0 "[ . 1 . 2]" 1
130 1 39 LYS HA 1 42 ARG QB . . 3.300 2.762 2.509 2.958 . 0 0 "[ . 1 . 2]" 1
131 1 40 LEU HA 1 43 PHE HB2 . . 5.000 2.862 2.670 2.943 . 0 0 "[ . 1 . 2]" 1
132 1 41 ASP HA 1 45 LEU H . . 5.000 4.163 3.908 4.386 . 0 0 "[ . 1 . 2]" 1
133 1 45 LEU HA 1 46 ALA H . . 2.700 2.329 2.284 2.361 . 0 0 "[ . 1 . 2]" 1
134 1 46 ALA H 1 47 GLU H . . 5.000 4.528 4.458 4.575 . 0 0 "[ . 1 . 2]" 1
135 1 46 ALA HA 1 47 GLU H . . 2.700 2.497 2.174 2.637 . 0 0 "[ . 1 . 2]" 1
136 1 47 GLU H 1 48 SER H . . 2.700 2.315 1.831 2.680 . 0 0 "[ . 1 . 2]" 1
137 1 48 SER H 1 49 LEU H . . 2.700 2.562 2.398 2.604 . 0 0 "[ . 1 . 2]" 1
138 1 49 LEU H 1 50 LEU H . . 2.700 2.676 2.519 2.811 0.111 15 0 "[ . 1 . 2]" 1
139 1 50 LEU H 1 51 GLU H . . 2.700 2.104 1.826 2.485 . 0 0 "[ . 1 . 2]" 1
140 1 51 GLU H 1 52 SER H . . 2.700 2.581 2.360 2.713 0.013 15 0 "[ . 1 . 2]" 1
141 1 48 SER H 1 50 LEU H . . 5.000 4.496 4.256 4.745 . 0 0 "[ . 1 . 2]" 1
142 1 49 LEU H 1 51 GLU H . . 5.000 4.367 4.148 4.551 . 0 0 "[ . 1 . 2]" 1
143 1 50 LEU H 1 52 SER H . . 5.000 3.958 3.377 4.761 . 0 0 "[ . 1 . 2]" 1
144 1 51 GLU HA 1 52 SER H . . 5.000 3.499 3.017 3.569 . 0 0 "[ . 1 . 2]" 1
145 1 47 GLU HA 1 49 LEU H . . 5.000 3.328 3.087 3.627 . 0 0 "[ . 1 . 2]" 1
146 1 49 LEU HA 1 52 SER H . . 5.000 4.023 3.595 4.507 . 0 0 "[ . 1 . 2]" 1
147 1 53 LYS H 1 54 GLU H . . 2.900 2.647 2.484 2.794 . 0 0 "[ . 1 . 2]" 1
148 1 54 GLU H 1 55 GLY H . . 2.900 2.742 2.642 2.843 . 0 0 "[ . 1 . 2]" 1
149 1 55 GLY H 1 56 CYS H . . 2.900 2.745 2.651 2.843 . 0 0 "[ . 1 . 2]" 1
150 1 56 CYS H 1 57 GLN H . . 2.900 2.671 2.536 2.824 . 0 0 "[ . 1 . 2]" 1
151 1 57 GLN H 1 58 LYS H . . 2.900 2.620 2.512 2.700 . 0 0 "[ . 1 . 2]" 1
152 1 58 LYS H 1 59 ILE H . . 2.900 2.394 2.282 2.533 . 0 0 "[ . 1 . 2]" 1
153 1 59 ILE H 1 60 LEU H . . 2.900 2.384 2.293 2.510 . 0 0 "[ . 1 . 2]" 1
154 1 60 LEU H 1 61 THR H . . 2.900 2.507 2.372 2.701 . 0 0 "[ . 1 . 2]" 1
155 1 61 THR H 1 62 VAL H . . 2.900 2.588 2.506 2.621 . 0 0 "[ . 1 . 2]" 1
156 1 62 VAL H 1 63 LEU H . . 2.900 2.554 2.512 2.617 . 0 0 "[ . 1 . 2]" 1
157 1 63 LEU H 1 64 ASP H . . 2.900 2.485 2.467 2.514 . 0 0 "[ . 1 . 2]" 1
158 1 53 LYS H 1 55 GLY H . . 5.000 4.301 4.045 4.515 . 0 0 "[ . 1 . 2]" 1
159 1 54 GLU H 1 56 CYS H . . 5.000 4.301 4.094 4.463 . 0 0 "[ . 1 . 2]" 1
160 1 55 GLY H 1 57 GLN H . . 5.000 4.080 3.996 4.235 . 0 0 "[ . 1 . 2]" 1
161 1 56 CYS H 1 58 LYS H . . 5.000 4.181 4.045 4.260 . 0 0 "[ . 1 . 2]" 1
162 1 57 GLN H 1 59 ILE H . . 5.000 4.061 3.889 4.421 . 0 0 "[ . 1 . 2]" 1
163 1 58 LYS H 1 60 LEU H . . 5.000 4.156 3.762 4.495 . 0 0 "[ . 1 . 2]" 1
164 1 59 ILE H 1 61 THR H . . 5.000 3.725 3.527 4.163 . 0 0 "[ . 1 . 2]" 1
165 1 60 LEU H 1 62 VAL H . . 5.000 4.138 3.841 4.339 . 0 0 "[ . 1 . 2]" 1
166 1 61 THR H 1 63 LEU H . . 5.000 4.213 4.054 4.401 . 0 0 "[ . 1 . 2]" 1
167 1 62 VAL H 1 64 ASP H . . 5.000 3.618 3.537 3.723 . 0 0 "[ . 1 . 2]" 1
168 1 52 SER H 1 55 GLY H . . 5.000 4.423 4.314 4.538 . 0 0 "[ . 1 . 2]" 1
169 1 52 SER H 1 56 CYS H . . 5.000 4.864 4.359 5.013 0.013 3 0 "[ . 1 . 2]" 1
170 1 52 SER HA 1 53 LYS H . . 2.700 2.213 2.149 2.333 . 0 0 "[ . 1 . 2]" 1
171 1 52 SER HA 1 55 GLY H . . 5.000 4.659 4.477 4.880 . 0 0 "[ . 1 . 2]" 1
172 1 53 LYS HA 1 56 CYS H . . 5.000 3.477 3.387 3.556 . 0 0 "[ . 1 . 2]" 1
173 1 54 GLU HA 1 57 GLN H . . 5.000 3.590 3.360 3.753 . 0 0 "[ . 1 . 2]" 1
174 1 55 GLY HA2 1 58 LYS H . . 5.000 3.593 3.345 3.784 . 0 0 "[ . 1 . 2]" 1
175 1 56 CYS HA 1 59 ILE H . . 5.000 3.280 3.063 3.567 . 0 0 "[ . 1 . 2]" 1
176 1 57 GLN HA 1 60 LEU H . . 5.000 3.524 3.407 3.636 . 0 0 "[ . 1 . 2]" 1
177 1 58 LYS HA 1 61 THR H . . 5.000 3.654 3.481 3.835 . 0 0 "[ . 1 . 2]" 1
178 1 59 ILE HA 1 62 VAL H . . 5.000 3.613 3.447 3.704 . 0 0 "[ . 1 . 2]" 1
179 1 60 LEU HA 1 63 LEU H . . 5.000 3.514 3.409 3.644 . 0 0 "[ . 1 . 2]" 1
180 1 61 THR HA 1 64 ASP H . . 5.000 3.627 3.576 3.684 . 0 0 "[ . 1 . 2]" 1
181 1 57 GLN HA 1 61 THR H . . 5.000 4.160 3.959 4.398 . 0 0 "[ . 1 . 2]" 1
182 1 58 LYS HA 1 62 VAL H . . 5.000 4.417 4.148 4.751 . 0 0 "[ . 1 . 2]" 1
183 1 54 GLU HA 1 57 GLN QB . . 3.300 2.831 2.575 3.137 . 0 0 "[ . 1 . 2]" 1
184 1 55 GLY HA2 1 58 LYS QB . . 3.300 3.102 2.752 3.339 0.039 19 0 "[ . 1 . 2]" 1
185 1 56 CYS HA 1 59 ILE HB . . 5.000 3.154 2.639 3.601 . 0 0 "[ . 1 . 2]" 1
186 1 57 GLN HA 1 60 LEU HB3 . . 5.000 4.758 4.255 5.026 0.026 11 0 "[ . 1 . 2]" 1
187 1 59 ILE HA 1 62 VAL HB . . 3.300 3.242 2.899 3.371 0.071 18 0 "[ . 1 . 2]" 1
188 1 60 LEU HA 1 63 LEU HB3 . . 5.000 4.672 4.266 5.004 0.004 14 0 "[ . 1 . 2]" 1
189 1 61 THR HA 1 64 ASP HB2 . . 5.000 2.587 2.330 3.249 . 0 0 "[ . 1 . 2]" 1
190 1 66 MET H 1 67 VAL H . . 2.900 2.197 2.083 2.343 . 0 0 "[ . 1 . 2]" 1
191 1 69 THR H 1 70 GLY H . . 2.900 2.857 2.294 3.074 0.174 2 0 "[ . 1 . 2]" 1
192 1 67 VAL H 1 69 THR H . . 5.000 4.020 3.774 4.145 . 0 0 "[ . 1 . 2]" 1
193 1 70 GLY HA2 1 71 SER H . . 2.700 2.234 2.149 2.307 . 0 0 "[ . 1 . 2]" 1
194 1 70 GLY HA3 1 71 SER H . . 3.300 2.976 2.857 3.167 . 0 0 "[ . 1 . 2]" 1
195 1 64 ASP HA 1 66 MET H . . 5.000 3.946 3.854 4.101 . 0 0 "[ . 1 . 2]" 1
196 1 65 PRO HA 1 67 VAL H . . 5.000 4.007 3.807 4.113 . 0 0 "[ . 1 . 2]" 1
197 1 67 VAL HA 1 69 THR H . . 5.000 4.292 3.649 4.751 . 0 0 "[ . 1 . 2]" 1
198 1 63 LEU HA 1 66 MET H . . 5.000 3.251 3.204 3.301 . 0 0 "[ . 1 . 2]" 1
199 1 64 ASP HA 1 67 VAL H . . 5.000 3.737 3.647 3.875 . 0 0 "[ . 1 . 2]" 1
200 1 66 MET HA 1 69 THR H . . 5.000 3.230 3.009 3.576 . 0 0 "[ . 1 . 2]" 1
201 1 67 VAL HA 1 70 GLY H . . 5.000 4.378 3.907 4.523 . 0 0 "[ . 1 . 2]" 1
202 1 66 MET HA 1 70 GLY H . . 5.000 4.823 4.618 5.027 0.027 10 0 "[ . 1 . 2]" 1
203 1 72 GLU H 1 73 ASN H . . 2.900 2.734 2.626 2.809 . 0 0 "[ . 1 . 2]" 1
204 1 73 ASN H 1 74 LEU H . . 2.900 2.713 2.631 2.822 . 0 0 "[ . 1 . 2]" 1
205 1 74 LEU H 1 75 LYS H . . 2.900 2.338 2.157 2.590 . 0 0 "[ . 1 . 2]" 1
206 1 75 LYS H 1 76 SER H . . 2.900 2.577 2.316 2.936 0.036 12 0 "[ . 1 . 2]" 1
207 1 76 SER H 1 77 LEU H . . 2.900 2.751 2.529 2.929 0.029 17 0 "[ . 1 . 2]" 1
208 1 77 LEU H 1 78 PHE H . . 2.900 2.634 2.492 2.809 . 0 0 "[ . 1 . 2]" 1
209 1 78 PHE H 1 79 ASN H . . 2.900 2.705 2.352 2.917 0.017 2 0 "[ . 1 . 2]" 1
210 1 79 ASN H 1 80 THR H . . 2.900 2.604 2.527 2.754 . 0 0 "[ . 1 . 2]" 1
211 1 80 THR H 1 81 VAL H . . 2.900 2.551 2.345 2.840 . 0 0 "[ . 1 . 2]" 1
212 1 81 VAL H 1 82 CYS H . . 2.900 2.729 2.560 2.915 0.015 20 0 "[ . 1 . 2]" 1
213 1 82 CYS H 1 83 VAL H . . 2.900 2.712 2.515 2.929 0.029 20 0 "[ . 1 . 2]" 1
214 1 83 VAL H 1 84 ILE H . . 2.900 2.585 2.431 2.821 . 0 0 "[ . 1 . 2]" 1
215 1 84 ILE H 1 85 TRP H . . 2.900 2.789 2.659 2.874 . 0 0 "[ . 1 . 2]" 1
216 1 85 TRP H 1 86 CYS H . . 2.900 2.744 2.583 2.862 . 0 0 "[ . 1 . 2]" 1
217 1 86 CYS H 1 87 ILE H . . 2.900 2.810 2.585 2.910 0.010 18 0 "[ . 1 . 2]" 1
218 1 87 ILE H 1 88 HIS H . . 2.900 2.820 2.510 2.903 0.003 16 0 "[ . 1 . 2]" 1
219 1 88 HIS H 1 89 ALA H . . 2.900 2.582 2.499 2.701 . 0 0 "[ . 1 . 2]" 1
220 1 89 ALA H 1 90 GLU H . . 2.900 2.646 2.592 2.788 . 0 0 "[ . 1 . 2]" 1
221 1 74 LEU H 1 76 SER H . . 5.000 3.937 3.657 4.185 . 0 0 "[ . 1 . 2]" 1
222 1 75 LYS H 1 77 LEU H . . 5.000 4.258 3.942 4.811 . 0 0 "[ . 1 . 2]" 1
223 1 76 SER H 1 78 PHE H . . 5.000 4.073 3.726 4.336 . 0 0 "[ . 1 . 2]" 1
224 1 77 LEU H 1 79 ASN H . . 5.000 4.253 4.095 4.513 . 0 0 "[ . 1 . 2]" 1
225 1 78 PHE H 1 80 THR H . . 5.000 4.057 3.708 4.705 . 0 0 "[ . 1 . 2]" 1
226 1 79 ASN H 1 81 VAL H . . 5.000 4.172 3.952 4.450 . 0 0 "[ . 1 . 2]" 1
227 1 80 THR H 1 82 CYS H . . 5.000 4.159 3.827 4.540 . 0 0 "[ . 1 . 2]" 1
228 1 81 VAL H 1 83 VAL H . . 5.000 4.136 4.035 4.254 . 0 0 "[ . 1 . 2]" 1
229 1 82 CYS H 1 84 ILE H . . 5.000 4.337 4.215 4.611 . 0 0 "[ . 1 . 2]" 1
230 1 83 VAL H 1 85 TRP H . . 5.000 4.253 4.025 4.472 . 0 0 "[ . 1 . 2]" 1
231 1 84 ILE H 1 86 CYS H . . 5.000 4.143 4.013 4.312 . 0 0 "[ . 1 . 2]" 1
232 1 85 TRP H 1 87 ILE H . . 5.000 4.447 4.060 4.669 . 0 0 "[ . 1 . 2]" 1
233 1 86 CYS H 1 88 HIS H . . 5.000 4.200 4.038 4.446 . 0 0 "[ . 1 . 2]" 1
234 1 87 ILE H 1 89 ALA H . . 5.000 4.252 3.776 4.387 . 0 0 "[ . 1 . 2]" 1
235 1 88 HIS H 1 90 GLU H . . 5.000 3.854 3.780 4.006 . 0 0 "[ . 1 . 2]" 1
236 1 89 ALA H 1 91 GLU H . . 5.000 4.110 3.680 4.546 . 0 0 "[ . 1 . 2]" 1
237 1 71 SER H 1 74 LEU H . . 5.000 4.186 3.976 4.490 . 0 0 "[ . 1 . 2]" 1
238 1 72 GLU H 1 75 LYS H . . 5.000 4.910 4.699 5.101 0.101 17 0 "[ . 1 . 2]" 1
239 1 74 LEU H 1 77 LEU H . . 5.000 4.965 4.787 5.055 0.055 20 0 "[ . 1 . 2]" 1
240 1 75 LYS H 1 78 PHE H . . 5.000 4.741 4.490 4.995 . 0 0 "[ . 1 . 2]" 1
241 1 76 SER H 1 79 ASN H . . 5.000 4.883 4.661 5.014 0.014 3 0 "[ . 1 . 2]" 1
242 1 71 SER HA 1 72 GLU H . . 2.700 2.497 2.392 2.566 . 0 0 "[ . 1 . 2]" 1
243 1 71 SER HB2 1 73 ASN H . . 5.000 3.509 3.235 3.671 . 0 0 "[ . 1 . 2]" 1
244 1 72 GLU HA 1 75 LYS H . . 5.000 3.137 2.933 3.431 . 0 0 "[ . 1 . 2]" 1
245 1 73 ASN HA 1 76 SER H . . 5.000 3.858 3.384 4.364 . 0 0 "[ . 1 . 2]" 1
246 1 74 LEU HA 1 77 LEU H . . 5.000 3.668 3.368 4.030 . 0 0 "[ . 1 . 2]" 1
247 1 75 LYS HA 1 78 PHE H . . 5.000 3.500 3.313 3.686 . 0 0 "[ . 1 . 2]" 1
248 1 76 SER HA 1 79 ASN H . . 5.000 3.691 3.361 3.854 . 0 0 "[ . 1 . 2]" 1
249 1 77 LEU HA 1 80 THR H . . 5.000 3.399 3.175 3.800 . 0 0 "[ . 1 . 2]" 1
250 1 78 PHE HA 1 81 VAL H . . 5.000 3.498 3.383 3.849 . 0 0 "[ . 1 . 2]" 1
251 1 79 ASN HA 1 82 CYS H . . 5.000 3.724 3.463 3.859 . 0 0 "[ . 1 . 2]" 1
252 1 80 THR HA 1 83 VAL H . . 5.000 3.531 3.420 3.753 . 0 0 "[ . 1 . 2]" 1
253 1 81 VAL HA 1 84 ILE H . . 5.000 3.340 3.163 3.557 . 0 0 "[ . 1 . 2]" 1
254 1 82 CYS HA 1 85 TRP H . . 5.000 3.801 3.589 4.098 . 0 0 "[ . 1 . 2]" 1
255 1 83 VAL HA 1 86 CYS H . . 5.000 3.601 3.438 3.789 . 0 0 "[ . 1 . 2]" 1
256 1 84 ILE HA 1 87 ILE H . . 5.000 3.668 3.504 3.816 . 0 0 "[ . 1 . 2]" 1
257 1 85 TRP HA 1 88 HIS H . . 5.000 3.592 3.392 3.662 . 0 0 "[ . 1 . 2]" 1
258 1 86 CYS HA 1 89 ALA H . . 5.000 3.309 3.163 3.595 . 0 0 "[ . 1 . 2]" 1
259 1 87 ILE HA 1 90 GLU H . . 5.000 3.965 3.834 4.132 . 0 0 "[ . 1 . 2]" 1
260 1 74 LEU HA 1 78 PHE H . . 5.000 4.265 3.877 4.721 . 0 0 "[ . 1 . 2]" 1
261 1 75 LYS HA 1 79 ASN H . . 5.000 4.204 3.994 4.470 . 0 0 "[ . 1 . 2]" 1
262 1 79 ASN HA 1 83 VAL H . . 5.000 4.891 4.582 5.017 0.017 16 0 "[ . 1 . 2]" 1
263 1 80 THR HA 1 84 ILE H . . 5.000 4.603 4.356 4.770 . 0 0 "[ . 1 . 2]" 1
264 1 81 VAL HA 1 85 TRP H . . 5.000 4.117 3.827 4.510 . 0 0 "[ . 1 . 2]" 1
265 1 84 ILE HA 1 88 HIS H . . 5.000 4.564 4.357 4.775 . 0 0 "[ . 1 . 2]" 1
266 1 85 TRP HA 1 89 ALA H . . 5.000 4.010 3.751 4.099 . 0 0 "[ . 1 . 2]" 1
267 1 72 GLU HA 1 75 LYS QB . . 3.300 2.360 2.064 2.763 . 0 0 "[ . 1 . 2]" 1
268 1 73 ASN HA 1 76 SER QB . . 3.300 3.104 2.672 3.322 0.022 4 0 "[ . 1 . 2]" 1
269 1 74 LEU HA 1 77 LEU QB . . 3.300 3.066 2.641 3.311 0.011 5 0 "[ . 1 . 2]" 1
270 1 75 LYS HA 1 78 PHE QB . . 3.300 2.548 2.278 2.919 . 0 0 "[ . 1 . 2]" 1
271 1 76 SER HA 1 79 ASN QB . . 3.300 3.108 2.639 3.314 0.014 20 0 "[ . 1 . 2]" 1
272 1 77 LEU HA 1 80 THR HB . . 3.300 2.877 2.598 3.234 . 0 0 "[ . 1 . 2]" 1
273 1 78 PHE HA 1 81 VAL HB . . 3.300 2.971 2.693 3.267 . 0 0 "[ . 1 . 2]" 1
274 1 79 ASN HA 1 82 CYS QB . . 3.300 3.026 2.635 3.315 0.015 9 0 "[ . 1 . 2]" 1
275 1 80 THR HA 1 83 VAL HB . . 3.300 3.234 3.079 3.310 0.010 5 0 "[ . 1 . 2]" 1
276 1 81 VAL HA 1 84 ILE HB . . 3.300 2.933 2.630 3.260 . 0 0 "[ . 1 . 2]" 1
277 1 82 CYS HA 1 85 TRP QB . . 3.300 3.009 2.654 3.300 0.000 13 0 "[ . 1 . 2]" 1
278 1 83 VAL HA 1 86 CYS QB . . 3.300 2.594 2.481 2.761 . 0 0 "[ . 1 . 2]" 1
279 1 84 ILE HA 1 87 ILE HB . . 3.300 3.214 3.035 3.312 0.012 20 0 "[ . 1 . 2]" 1
280 1 85 TRP HA 1 88 HIS QB . . 3.300 2.969 2.697 3.322 0.022 9 0 "[ . 1 . 2]" 1
281 1 86 CYS HA 1 89 ALA MB . . 2.700 2.495 2.177 2.714 0.014 10 0 "[ . 1 . 2]" 1
282 1 90 GLU H 1 91 GLU H . . 2.700 2.580 2.462 2.742 0.042 8 0 "[ . 1 . 2]" 1
283 1 91 GLU HA 1 92 LYS H . . 2.700 2.164 2.138 2.251 . 0 0 "[ . 1 . 2]" 1
284 1 92 LYS HA 1 93 VAL H . . 2.700 2.152 2.142 2.172 . 0 0 "[ . 1 . 2]" 1
285 1 93 VAL HA 1 94 LYS H . . 2.700 2.285 2.167 2.668 . 0 0 "[ . 1 . 2]" 1
286 1 94 LYS H 1 95 ASP H . . 2.700 2.247 1.849 2.547 . 0 0 "[ . 1 . 2]" 1
287 1 18 ILE HA 1 94 LYS HA . . 5.000 4.011 3.544 4.488 . 0 0 "[ . 1 . 2]" 1
288 1 93 VAL HA 1 95 ASP H . . 5.000 4.193 3.993 4.671 . 0 0 "[ . 1 . 2]" 1
289 1 95 ASP HA 1 96 THR H . . 2.700 2.576 2.488 2.673 . 0 0 "[ . 1 . 2]" 1
290 1 19 ARG H 1 95 ASP HA . . 2.700 2.509 2.047 2.717 0.017 13 0 "[ . 1 . 2]" 1
291 1 20 LEU HA 1 96 THR H . . 5.000 4.170 3.731 4.724 . 0 0 "[ . 1 . 2]" 1
292 1 22 PRO HD3 1 96 THR H . . 5.000 4.498 4.082 4.919 . 0 0 "[ . 1 . 2]" 1
293 1 19 ARG H 1 95 ASP H . . 5.000 4.648 4.390 4.956 . 0 0 "[ . 1 . 2]" 1
294 1 96 THR H 1 97 GLU H . . 2.900 2.819 2.666 2.913 0.013 3 0 "[ . 1 . 2]" 1
295 1 97 GLU H 1 98 GLY H . . 2.900 2.813 2.742 2.874 . 0 0 "[ . 1 . 2]" 1
296 1 98 GLY H 1 99 ALA H . . 2.900 2.557 2.423 2.685 . 0 0 "[ . 1 . 2]" 1
297 1 99 ALA H 1 100 LYS H . . 2.900 2.669 2.502 2.855 . 0 0 "[ . 1 . 2]" 1
298 1 100 LYS H 1 101 GLN H . . 2.900 2.677 2.583 2.896 . 0 0 "[ . 1 . 2]" 1
299 1 101 GLN H 1 102 ILE H . . 2.900 2.805 2.362 2.920 0.020 20 0 "[ . 1 . 2]" 1
300 1 102 ILE H 1 103 VAL H . . 2.900 2.649 2.539 2.734 . 0 0 "[ . 1 . 2]" 1
301 1 103 VAL H 1 104 ARG H . . 2.900 2.842 2.746 2.906 0.006 11 0 "[ . 1 . 2]" 1
302 1 104 ARG H 1 105 ARG H . . 2.900 2.813 2.697 2.882 . 0 0 "[ . 1 . 2]" 1
303 1 105 ARG H 1 106 HIS H . . 2.900 2.837 2.790 2.895 . 0 0 "[ . 1 . 2]" 1
304 1 106 HIS H 1 107 LEU H . . 2.900 2.623 2.513 2.733 . 0 0 "[ . 1 . 2]" 1
305 1 107 LEU H 1 108 VAL H . . 2.900 2.494 2.310 2.646 . 0 0 "[ . 1 . 2]" 1
306 1 108 VAL H 1 109 ALA H . . 2.900 2.658 2.493 2.801 . 0 0 "[ . 1 . 2]" 1
307 1 109 ALA H 1 110 GLU H . . 2.900 2.610 2.440 2.858 . 0 0 "[ . 1 . 2]" 1
308 1 110 GLU H 1 111 THR H . . 2.900 2.508 2.119 2.880 . 0 0 "[ . 1 . 2]" 1
309 1 111 THR H 1 112 GLY H . . 2.900 2.513 1.958 2.871 . 0 0 "[ . 1 . 2]" 1
310 1 112 GLY H 1 113 THR H . . 2.900 2.520 2.109 2.850 . 0 0 "[ . 1 . 2]" 1
311 1 113 THR H 1 114 ALA H . . 2.900 2.469 2.037 2.770 . 0 0 "[ . 1 . 2]" 1
312 1 114 ALA H 1 115 GLU H . . 2.900 2.582 2.027 2.882 . 0 0 "[ . 1 . 2]" 1
313 1 115 GLU H 1 116 LYS H . . 2.900 2.535 1.981 2.886 . 0 0 "[ . 1 . 2]" 1
314 1 116 LYS H 1 117 MET H . . 2.900 2.501 1.905 2.885 . 0 0 "[ . 1 . 2]" 1
315 1 96 THR H 1 98 GLY H . . 5.000 4.160 4.033 4.302 . 0 0 "[ . 1 . 2]" 1
316 1 97 GLU H 1 99 ALA H . . 5.000 4.233 4.118 4.340 . 0 0 "[ . 1 . 2]" 1
317 1 98 GLY H 1 100 LYS H . . 5.000 4.157 3.835 4.586 . 0 0 "[ . 1 . 2]" 1
318 1 99 ALA H 1 101 GLN H . . 5.000 4.342 3.819 4.641 . 0 0 "[ . 1 . 2]" 1
319 1 100 LYS H 1 102 ILE H . . 5.000 4.165 3.793 4.646 . 0 0 "[ . 1 . 2]" 1
320 1 101 GLN H 1 103 VAL H . . 5.000 4.191 3.618 4.318 . 0 0 "[ . 1 . 2]" 1
321 1 102 ILE H 1 104 ARG H . . 5.000 4.595 4.355 4.681 . 0 0 "[ . 1 . 2]" 1
322 1 103 VAL H 1 105 ARG H . . 5.000 4.013 3.946 4.115 . 0 0 "[ . 1 . 2]" 1
323 1 104 ARG H 1 106 HIS H . . 5.000 4.388 4.238 4.534 . 0 0 "[ . 1 . 2]" 1
324 1 105 ARG H 1 107 LEU H . . 5.000 4.098 3.957 4.282 . 0 0 "[ . 1 . 2]" 1
325 1 106 HIS H 1 108 VAL H . . 5.000 4.339 4.065 4.723 . 0 0 "[ . 1 . 2]" 1
326 1 107 LEU H 1 109 ALA H . . 5.000 3.885 3.751 4.112 . 0 0 "[ . 1 . 2]" 1
327 1 108 VAL H 1 110 GLU H . . 5.000 4.156 3.971 4.441 . 0 0 "[ . 1 . 2]" 1
328 1 109 ALA H 1 111 THR H . . 5.000 4.091 3.863 4.408 . 0 0 "[ . 1 . 2]" 1
329 1 110 GLU H 1 112 GLY H . . 5.000 4.214 3.749 4.992 . 0 0 "[ . 1 . 2]" 1
330 1 111 THR H 1 113 THR H . . 5.000 4.361 3.102 4.945 . 0 0 "[ . 1 . 2]" 1
331 1 112 GLY H 1 114 ALA H . . 5.000 4.450 3.940 4.839 . 0 0 "[ . 1 . 2]" 1
332 1 113 THR H 1 115 GLU H . . 5.000 4.569 3.718 4.986 . 0 0 "[ . 1 . 2]" 1
333 1 114 ALA H 1 116 LYS H . . 5.000 4.763 4.295 5.000 . 0 0 "[ . 1 . 2]" 1
334 1 115 GLU H 1 117 MET H . . 5.000 4.647 3.413 4.996 . 0 0 "[ . 1 . 2]" 1
335 1 95 ASP H 1 98 GLY H . . 5.000 3.403 3.189 3.637 . 0 0 "[ . 1 . 2]" 1
336 1 97 GLU H 1 100 LYS H . . 5.000 5.008 4.768 5.193 0.193 19 0 "[ . 1 . 2]" 1
337 1 98 GLY H 1 101 GLN H . . 5.000 5.002 4.845 5.057 0.057 16 0 "[ . 1 . 2]" 1
338 1 99 ALA H 1 102 ILE H . . 5.000 5.025 4.972 5.075 0.075 12 0 "[ . 1 . 2]" 1
339 1 100 LYS H 1 103 VAL H . . 5.000 4.825 4.658 5.047 0.047 19 0 "[ . 1 . 2]" 1
340 1 101 GLN H 1 104 ARG H . . 5.000 4.978 4.583 5.107 0.107 17 0 "[ . 1 . 2]" 1
341 1 102 ILE H 1 105 ARG H . . 5.000 4.781 4.692 4.897 . 0 0 "[ . 1 . 2]" 1
342 1 103 VAL H 1 106 HIS H . . 5.000 4.949 4.800 5.018 0.018 4 0 "[ . 1 . 2]" 1
343 1 104 ARG H 1 107 LEU H . . 5.000 4.869 4.735 4.977 . 0 0 "[ . 1 . 2]" 1
344 1 105 ARG H 1 108 VAL H . . 5.000 4.859 4.785 4.991 . 0 0 "[ . 1 . 2]" 1
345 1 106 HIS H 1 109 ALA H . . 5.000 4.910 4.655 5.000 0.000 2 0 "[ . 1 . 2]" 1
346 1 107 LEU H 1 110 GLU H . . 5.000 4.893 4.658 5.000 0.000 9 0 "[ . 1 . 2]" 1
347 1 95 ASP H 1 99 ALA H . . 5.000 3.919 3.447 4.193 . 0 0 "[ . 1 . 2]" 1
348 1 96 THR HA 1 99 ALA H . . 5.000 3.293 3.160 3.535 . 0 0 "[ . 1 . 2]" 1
349 1 97 GLU HA 1 100 LYS H . . 5.000 3.775 3.578 3.915 . 0 0 "[ . 1 . 2]" 1
350 1 99 ALA HA 1 102 ILE H . . 5.000 3.751 3.557 3.916 . 0 0 "[ . 1 . 2]" 1
351 1 100 LYS HA 1 103 VAL H . . 5.000 3.382 3.236 3.789 . 0 0 "[ . 1 . 2]" 1
352 1 101 GLN HA 1 104 ARG H . . 5.000 3.889 3.683 4.096 . 0 0 "[ . 1 . 2]" 1
353 1 102 ILE HA 1 105 ARG H . . 5.000 3.811 3.670 3.991 . 0 0 "[ . 1 . 2]" 1
354 1 103 VAL HA 1 106 HIS H . . 5.000 3.678 3.598 3.799 . 0 0 "[ . 1 . 2]" 1
355 1 104 ARG HA 1 107 LEU H . . 5.000 3.165 3.057 3.353 . 0 0 "[ . 1 . 2]" 1
356 1 105 ARG HA 1 108 VAL H . . 5.000 3.755 3.548 3.880 . 0 0 "[ . 1 . 2]" 1
357 1 97 GLU HA 1 101 GLN H . . 5.000 4.466 4.091 5.042 0.042 19 0 "[ . 1 . 2]" 1
358 1 100 LYS HA 1 104 ARG H . . 5.000 3.933 3.442 4.349 . 0 0 "[ . 1 . 2]" 1
359 1 96 THR HA 1 99 ALA MB . . 3.300 2.535 2.137 2.808 . 0 0 "[ . 1 . 2]" 1
360 1 97 GLU HA 1 100 LYS QB . . 3.300 3.132 2.617 3.317 0.017 3 0 "[ . 1 . 2]" 1
361 1 99 ALA HA 1 102 ILE HB . . 3.300 3.198 2.906 3.420 0.120 19 0 "[ . 1 . 2]" 1
362 1 100 LYS HA 1 103 VAL HB . . 3.300 2.807 2.470 3.143 . 0 0 "[ . 1 . 2]" 1
363 1 101 GLN HA 1 104 ARG QB . . 3.300 3.091 2.941 3.207 . 0 0 "[ . 1 . 2]" 1
364 1 102 ILE HA 1 105 ARG QB . . 3.300 2.650 2.475 2.792 . 0 0 "[ . 1 . 2]" 1
365 1 103 VAL HA 1 106 HIS QB . . 3.300 3.192 2.991 3.303 0.003 8 0 "[ . 1 . 2]" 1
366 1 104 ARG HA 1 107 LEU QB . . 3.300 2.630 2.394 2.899 . 0 0 "[ . 1 . 2]" 1
367 1 106 HIS HA 1 109 ALA MB . . 3.300 2.787 2.362 3.033 . 0 0 "[ . 1 . 2]" 1
368 1 107 LEU HA 1 110 GLU QB . . 3.300 3.053 2.682 3.299 . 0 0 "[ . 1 . 2]" 1
369 1 108 VAL HA 1 111 THR HB . . 3.300 3.069 2.359 3.301 0.001 5 0 "[ . 1 . 2]" 1
370 1 110 GLU HA 1 113 THR HB . . 5.000 4.491 3.348 5.001 0.001 5 0 "[ . 1 . 2]" 1
371 1 111 THR HA 1 114 ALA MB . . 5.000 3.863 2.066 4.991 . 0 0 "[ . 1 . 2]" 1
372 1 6 VAL H 1 6 VAL HB . . 2.700 2.593 2.485 2.660 . 0 0 "[ . 1 . 2]" 1
373 1 6 VAL H 1 7 LEU H . . 2.700 2.590 2.150 2.713 0.013 9 0 "[ . 1 . 2]" 1
374 1 6 VAL HB 1 7 LEU H . . 2.700 2.365 2.151 2.608 . 0 0 "[ . 1 . 2]" 1
375 1 6 VAL HB 1 33 ILE MG . . 3.300 3.252 2.711 3.314 0.014 10 0 "[ . 1 . 2]" 1
376 1 6 VAL HB 1 33 ILE MD . . 5.000 3.722 3.125 4.199 . 0 0 "[ . 1 . 2]" 1
377 1 6 VAL MG2 1 33 ILE MG . . 3.300 2.976 2.445 3.233 . 0 0 "[ . 1 . 2]" 1
378 1 6 VAL MG1 1 33 ILE MG . . 3.300 2.794 2.278 3.226 . 0 0 "[ . 1 . 2]" 1
379 1 6 VAL MG1 1 50 LEU MD1 . . 5.000 3.463 2.959 3.994 . 0 0 "[ . 1 . 2]" 1
380 1 6 VAL MG2 1 50 LEU MD1 . . 5.000 3.249 2.650 4.283 . 0 0 "[ . 1 . 2]" 1
381 1 6 VAL HA 1 51 GLU HA . . 2.700 2.714 2.703 2.754 0.054 18 0 "[ . 1 . 2]" 1
382 1 6 VAL HA 1 51 GLU QG . . 3.300 2.745 1.989 3.245 . 0 0 "[ . 1 . 2]" 1
383 1 6 VAL MG1 1 51 GLU HA . . 3.300 2.966 2.473 3.305 0.005 8 0 "[ . 1 . 2]" 1
384 1 6 VAL MG1 1 84 ILE QG . . 5.000 4.326 3.829 4.595 . 0 0 "[ . 1 . 2]" 1
385 1 6 VAL MG1 1 84 ILE MG . . 5.000 2.894 2.575 3.080 . 0 0 "[ . 1 . 2]" 1
386 1 6 VAL MG1 1 84 ILE MD . . 5.000 2.888 2.603 3.174 . 0 0 "[ . 1 . 2]" 1
387 1 6 VAL MG1 1 88 HIS HE1 . . 5.000 3.337 2.698 4.288 . 0 0 "[ . 1 . 2]" 1
388 1 7 LEU HA 1 7 LEU MD2 . . 2.700 1.950 1.934 1.980 . 0 0 "[ . 1 . 2]" 1
389 1 7 LEU H 1 7 LEU HG . . 3.300 3.154 2.927 3.304 0.004 9 0 "[ . 1 . 2]" 1
390 1 7 LEU HA 1 8 ARG H . . 2.700 2.155 2.146 2.168 . 0 0 "[ . 1 . 2]" 1
391 1 7 LEU MD2 1 8 ARG H . . 3.300 3.288 3.209 3.312 0.012 14 0 "[ . 1 . 2]" 1
392 1 7 LEU HB3 1 12 ALA H . . 3.300 3.256 2.898 3.326 0.026 10 0 "[ . 1 . 2]" 1
393 1 7 LEU MD1 1 12 ALA H . . 5.000 4.317 4.141 4.417 . 0 0 "[ . 1 . 2]" 1
394 1 7 LEU MD1 1 12 ALA HA . . 2.700 2.696 2.632 2.737 0.037 11 0 "[ . 1 . 2]" 1
395 1 7 LEU MD2 1 12 ALA HA . . 5.000 4.320 4.072 4.498 . 0 0 "[ . 1 . 2]" 1
396 1 7 LEU QB 1 12 ALA MB . . 5.000 3.229 2.945 3.368 . 0 0 "[ . 1 . 2]" 1
397 1 7 LEU MD1 1 15 LEU H . . 5.000 3.769 3.430 4.073 . 0 0 "[ . 1 . 2]" 1
398 1 7 LEU MD2 1 15 LEU H . . 5.000 4.836 4.424 5.030 0.030 16 0 "[ . 1 . 2]" 1
399 1 7 LEU MD1 1 15 LEU HG . . 2.700 2.303 2.006 2.571 . 0 0 "[ . 1 . 2]" 1
400 1 7 LEU MD1 1 15 LEU HB2 . . 3.300 2.144 1.905 2.335 . 0 0 "[ . 1 . 2]" 1
401 1 7 LEU MD1 1 15 LEU HB3 . . 3.300 3.143 2.881 3.312 0.012 20 0 "[ . 1 . 2]" 1
402 1 7 LEU HG 1 33 ILE MD . . 3.300 3.018 2.566 3.294 . 0 0 "[ . 1 . 2]" 1
403 1 7 LEU MD1 1 33 ILE MD . . 3.300 1.940 1.813 2.151 . 0 0 "[ . 1 . 2]" 1
404 1 7 LEU MD2 1 84 ILE MD . . 5.000 3.457 3.277 3.719 . 0 0 "[ . 1 . 2]" 1
405 1 7 LEU MD2 1 88 HIS HE1 . . 2.700 2.165 1.919 2.706 0.006 14 0 "[ . 1 . 2]" 1
406 1 8 ARG HA 1 8 ARG HB2 . . 2.700 2.425 2.401 2.485 . 0 0 "[ . 1 . 2]" 1
407 1 8 ARG HA 1 8 ARG HB3 . . 2.700 2.471 2.413 2.497 . 0 0 "[ . 1 . 2]" 1
408 1 8 ARG H 1 8 ARG HB3 . . 2.700 2.636 2.559 2.723 0.023 6 0 "[ . 1 . 2]" 1
409 1 8 ARG HB2 1 9 GLY H . . 5.500 1.952 1.903 1.982 . 0 0 "[ . 1 . 2]" 1
410 1 8 ARG QG 1 11 LYS QG . . 2.700 2.008 1.947 2.290 . 0 0 "[ . 1 . 2]" 1
411 1 8 ARG QD 1 11 LYS QD . . 3.300 2.810 2.307 3.292 . 0 0 "[ . 1 . 2]" 1
412 1 8 ARG H 1 12 ALA H . . 5.000 3.997 3.842 4.073 . 0 0 "[ . 1 . 2]" 1
413 1 8 ARG HB2 1 11 LYS H . . 5.000 4.134 3.908 4.287 . 0 0 "[ . 1 . 2]" 1
414 1 8 ARG HB3 1 11 LYS H . . 5.000 4.457 4.397 4.516 . 0 0 "[ . 1 . 2]" 1
415 1 8 ARG H 1 88 HIS HE1 . . 5.000 4.789 4.587 5.009 0.009 7 0 "[ . 1 . 2]" 1
416 1 9 GLY H 1 12 ALA MB . . 5.500 4.623 4.449 4.999 . 0 0 "[ . 1 . 2]" 1
417 1 11 LYS H 1 11 LYS HB2 . . 2.700 2.324 2.277 2.411 . 0 0 "[ . 1 . 2]" 1
418 1 11 LYS H 1 11 LYS HG3 . . 2.700 2.617 2.338 2.776 0.076 11 0 "[ . 1 . 2]" 1
419 1 11 LYS HA 1 87 ILE MG . . 3.300 3.274 3.058 3.331 0.031 15 0 "[ . 1 . 2]" 1
420 1 12 ALA MB 1 13 ASP H . . 3.300 2.660 2.552 2.761 . 0 0 "[ . 1 . 2]" 1
421 1 12 ALA HA 1 15 LEU QB . . 5.000 2.779 2.560 2.886 . 0 0 "[ . 1 . 2]" 1
422 1 15 LEU HB3 1 15 LEU MD1 . . 3.300 2.202 2.142 2.272 . 0 0 "[ . 1 . 2]" 1
423 1 15 LEU HB3 1 16 GLU H . . 3.300 2.253 2.196 2.380 . 0 0 "[ . 1 . 2]" 1
424 1 15 LEU MD2 1 18 ILE MD . . 3.300 2.371 2.137 2.761 . 0 0 "[ . 1 . 2]" 1
425 1 15 LEU HA 1 18 ILE MD . . 3.300 2.075 1.883 2.363 . 0 0 "[ . 1 . 2]" 1
426 1 15 LEU HA 1 28 TYR QD . . 5.500 5.191 5.047 5.296 . 0 0 "[ . 1 . 2]" 1
427 1 15 LEU MD1 1 28 TYR HB3 . . 2.700 2.032 1.919 2.715 0.015 6 0 "[ . 1 . 2]" 1
428 1 15 LEU MD2 1 28 TYR HB2 . . 2.700 2.514 1.961 2.707 0.007 18 0 "[ . 1 . 2]" 1
429 1 15 LEU MD2 1 28 TYR HB3 . . 2.700 2.525 2.067 2.712 0.012 16 0 "[ . 1 . 2]" 1
430 1 15 LEU H 1 87 ILE MD . . 5.000 3.911 3.328 4.375 . 0 0 "[ . 1 . 2]" 1
431 1 15 LEU H 1 87 ILE QG . . 5.000 4.307 3.884 4.606 . 0 0 "[ . 1 . 2]" 1
432 1 15 LEU H 1 87 ILE MG . . 5.000 3.907 3.131 4.179 . 0 0 "[ . 1 . 2]" 1
433 1 15 LEU HA 1 87 ILE MD . . 5.000 2.896 2.216 3.214 . 0 0 "[ . 1 . 2]" 1
434 1 16 GLU QB 1 17 ARG H . . 3.300 3.072 2.954 3.134 . 0 0 "[ . 1 . 2]" 1
435 1 16 GLU HA 1 28 TYR HB2 . . 5.000 4.056 3.495 4.482 . 0 0 "[ . 1 . 2]" 1
436 1 17 ARG HA 1 27 LYS QD . . 3.300 3.095 2.656 3.309 0.009 6 0 "[ . 1 . 2]" 1
437 1 17 ARG HA 1 27 LYS QE . . 5.000 4.712 2.926 5.009 0.009 19 0 "[ . 1 . 2]" 1
438 1 18 ILE H 1 27 LYS QB . . 5.000 4.217 3.899 4.784 . 0 0 "[ . 1 . 2]" 1
439 1 18 ILE H 1 28 TYR QD . . 5.000 4.746 4.536 4.905 . 0 0 "[ . 1 . 2]" 1
440 1 18 ILE HB 1 28 TYR QD . . 2.700 2.670 2.569 2.708 0.008 6 0 "[ . 1 . 2]" 1
441 1 18 ILE MG 1 28 TYR QD . . 2.700 2.182 1.955 2.521 . 0 0 "[ . 1 . 2]" 1
442 1 18 ILE MG 1 28 TYR QE . . 2.700 2.441 2.255 2.705 0.005 14 0 "[ . 1 . 2]" 1
443 1 18 ILE MG 1 28 TYR H . . 5.000 3.914 3.672 4.414 . 0 0 "[ . 1 . 2]" 1
444 1 18 ILE MG 1 83 VAL MG2 . . 5.000 2.700 2.455 2.962 . 0 0 "[ . 1 . 2]" 1
445 1 18 ILE MG 1 83 VAL MG1 . . 5.000 2.302 1.939 2.746 . 0 0 "[ . 1 . 2]" 1
446 1 18 ILE MD 1 83 VAL MG1 . . 2.700 2.010 1.805 2.260 . 0 0 "[ . 1 . 2]" 1
447 1 18 ILE HG12 1 93 VAL MG2 . . 3.300 1.934 1.878 2.094 . 0 0 "[ . 1 . 2]" 1
448 1 18 ILE MD 1 93 VAL MG2 . . 2.700 2.656 2.120 2.720 0.020 16 0 "[ . 1 . 2]" 1
449 1 18 ILE MG 1 95 ASP HA . . 2.700 2.630 2.201 2.721 0.021 10 0 "[ . 1 . 2]" 1
450 1 18 ILE MG 1 95 ASP H . . 5.000 4.007 3.735 4.223 . 0 0 "[ . 1 . 2]" 1
451 1 18 ILE MG 1 96 THR H . . 5.000 3.611 3.387 3.794 . 0 0 "[ . 1 . 2]" 1
452 1 19 ARG QB 1 21 ARG H . . 3.300 2.778 2.587 2.969 . 0 0 "[ . 1 . 2]" 1
453 1 20 LEU HA 1 20 LEU MD2 . . 2.700 2.154 2.023 2.567 . 0 0 "[ . 1 . 2]" 1
454 1 20 LEU H 1 20 LEU HG . . 2.700 2.637 2.489 2.707 0.007 14 0 "[ . 1 . 2]" 1
455 1 20 LEU HG 1 27 LYS HA . . 5.000 3.135 2.726 3.580 . 0 0 "[ . 1 . 2]" 1
456 1 20 LEU MD1 1 27 LYS H . . 5.000 3.833 3.433 4.336 . 0 0 "[ . 1 . 2]" 1
457 1 20 LEU MD2 1 28 TYR QE . . 3.300 2.771 2.474 3.229 . 0 0 "[ . 1 . 2]" 1
458 1 20 LEU MD2 1 28 TYR QD . . 3.300 2.852 2.689 3.195 . 0 0 "[ . 1 . 2]" 1
459 1 20 LEU MD2 1 28 TYR HA . . 3.300 2.643 2.120 3.299 . 0 0 "[ . 1 . 2]" 1
460 1 20 LEU MD2 1 28 TYR H . . 5.000 3.961 3.568 4.592 . 0 0 "[ . 1 . 2]" 1
461 1 20 LEU MD2 1 32 HIS HE1 . . 5.000 3.244 2.647 3.676 . 0 0 "[ . 1 . 2]" 1
462 1 20 LEU MD1 1 32 HIS HE1 . . 3.300 2.363 2.087 2.946 . 0 0 "[ . 1 . 2]" 1
463 1 21 ARG HA 1 22 PRO QD . . 2.700 2.147 2.083 2.192 . 0 0 "[ . 1 . 2]" 1
464 1 21 ARG QB 1 22 PRO QD . . 2.700 2.118 1.973 2.292 . 0 0 "[ . 1 . 2]" 1
465 1 21 ARG H 1 95 ASP HB2 . . 5.000 4.458 4.135 4.882 . 0 0 "[ . 1 . 2]" 1
466 1 21 ARG H 1 95 ASP HB3 . . 5.000 5.008 4.906 5.077 0.077 10 0 "[ . 1 . 2]" 1
467 1 21 ARG H 1 96 THR H . . 5.000 4.827 4.624 5.018 0.018 13 0 "[ . 1 . 2]" 1
468 1 21 ARG HA 1 96 THR H . . 5.000 3.993 3.720 4.210 . 0 0 "[ . 1 . 2]" 1
469 1 21 ARG HA 1 96 THR HB . . 5.000 4.147 3.721 4.533 . 0 0 "[ . 1 . 2]" 1
470 1 22 PRO HB2 1 23 GLY H . . 3.300 3.310 3.298 3.341 0.041 13 0 "[ . 1 . 2]" 1
471 1 22 PRO HD2 1 23 GLY H . . 5.000 2.649 2.648 2.649 . 0 0 "[ . 1 . 2]" 1
472 1 22 PRO HA 1 95 ASP HB2 . . 3.300 2.978 2.813 3.171 . 0 0 "[ . 1 . 2]" 1
473 1 22 PRO HA 1 95 ASP HB3 . . 3.300 2.617 2.172 3.032 . 0 0 "[ . 1 . 2]" 1
474 1 22 PRO HA 1 96 THR H . . 5.000 5.001 4.820 5.066 0.066 18 0 "[ . 1 . 2]" 1
475 1 22 PRO QD 1 97 GLU QG . . 3.300 2.743 2.087 3.305 0.005 17 0 "[ . 1 . 2]" 1
476 1 21 ARG QB 1 24 GLY H . . 3.300 2.630 2.123 3.081 . 0 0 "[ . 1 . 2]" 1
477 1 26 LYS H 1 26 LYS QB . . 2.700 2.404 2.246 2.682 . 0 0 "[ . 1 . 2]" 1
478 1 28 TYR H 1 28 TYR QD . . 3.300 2.448 2.298 2.635 . 0 0 "[ . 1 . 2]" 1
479 1 28 TYR QD 1 32 HIS HD2 . . 5.000 4.738 4.369 4.959 . 0 0 "[ . 1 . 2]" 1
480 1 28 TYR QE 1 32 HIS HD2 . . 5.000 4.855 4.555 4.968 . 0 0 "[ . 1 . 2]" 1
481 1 28 TYR HA 1 32 HIS HE1 . . 3.300 3.053 2.805 3.302 0.002 1 0 "[ . 1 . 2]" 1
482 1 28 TYR QD 1 32 HIS QB . . 2.700 2.311 2.248 2.368 . 0 0 "[ . 1 . 2]" 1
483 1 28 TYR QE 1 32 HIS QB . . 3.300 3.247 3.086 3.303 0.003 18 0 "[ . 1 . 2]" 1
484 1 28 TYR HA 1 32 HIS QB . . 5.000 3.787 3.649 4.162 . 0 0 "[ . 1 . 2]" 1
485 1 28 TYR QE 1 80 THR HA . . 3.300 3.195 2.820 3.313 0.013 19 0 "[ . 1 . 2]" 1
486 1 28 TYR QE 1 80 THR MG . . 3.300 2.731 2.026 3.298 . 0 0 "[ . 1 . 2]" 1
487 1 28 TYR QD 1 80 THR MG . . 5.000 3.568 3.120 4.051 . 0 0 "[ . 1 . 2]" 1
488 1 28 TYR QE 1 83 VAL MG1 . . 5.000 3.543 3.143 3.791 . 0 0 "[ . 1 . 2]" 1
489 1 28 TYR QE 1 83 VAL MG2 . . 5.000 2.859 2.442 3.284 . 0 0 "[ . 1 . 2]" 1
490 1 28 TYR QE 1 83 VAL HB . . 5.000 4.355 4.147 4.540 . 0 0 "[ . 1 . 2]" 1
491 1 28 TYR QE 1 96 THR H . . 5.000 3.610 3.457 3.860 . 0 0 "[ . 1 . 2]" 1
492 1 28 TYR QE 1 96 THR HA . . 5.000 3.749 3.447 4.111 . 0 0 "[ . 1 . 2]" 1
493 1 28 TYR QE 1 96 THR MG . . 5.000 3.637 3.175 4.099 . 0 0 "[ . 1 . 2]" 1
494 1 29 ARG H 1 32 HIS HE1 . . 3.300 3.260 3.027 3.319 0.019 18 0 "[ . 1 . 2]" 1
495 1 29 ARG QB 1 32 HIS HE1 . . 3.300 3.139 2.947 3.307 0.007 20 0 "[ . 1 . 2]" 1
496 1 30 LEU HA 1 30 LEU QD . . 2.700 2.414 2.145 2.662 . 0 0 "[ . 1 . 2]" 1
497 1 30 LEU H 1 30 LEU MD1 . . 3.300 2.678 2.061 3.210 . 0 0 "[ . 1 . 2]" 1
498 1 30 LEU HA 1 33 ILE MD . . 3.300 2.435 2.232 2.663 . 0 0 "[ . 1 . 2]" 1
499 1 30 LEU QD 1 33 ILE MD . . 5.000 2.600 1.985 3.000 . 0 0 "[ . 1 . 2]" 1
500 1 32 HIS H 1 32 HIS HD2 . . 5.000 4.334 4.217 4.463 . 0 0 "[ . 1 . 2]" 1
501 1 32 HIS HA 1 32 HIS HD2 . . 2.900 2.841 2.738 2.914 0.014 19 0 "[ . 1 . 2]" 1
502 1 32 HIS HA 1 35 TRP HE3 . . 5.000 4.772 4.332 5.005 0.005 7 0 "[ . 1 . 2]" 1
503 1 33 ILE H 1 33 ILE HB . . 2.700 2.577 2.520 2.629 . 0 0 "[ . 1 . 2]" 1
504 1 33 ILE HB 1 34 VAL H . . 2.700 2.685 2.577 2.714 0.014 13 0 "[ . 1 . 2]" 1
505 1 33 ILE MG 1 34 VAL MG2 . . 5.000 3.811 3.637 3.979 . 0 0 "[ . 1 . 2]" 1
506 1 33 ILE HA 1 80 THR MG . . 5.000 3.622 3.247 4.024 . 0 0 "[ . 1 . 2]" 1
507 1 33 ILE HA 1 84 ILE MD . . 5.000 3.565 3.246 3.923 . 0 0 "[ . 1 . 2]" 1
508 1 33 ILE HG12 1 84 ILE MD . . 5.000 2.745 2.484 3.058 . 0 0 "[ . 1 . 2]" 1
509 1 33 ILE MD 1 84 ILE MD . . 3.300 3.244 3.046 3.312 0.012 9 0 "[ . 1 . 2]" 1
510 1 33 ILE MG 1 84 ILE MD . . 3.300 2.682 2.398 2.921 . 0 0 "[ . 1 . 2]" 1
511 1 34 VAL HA 1 34 VAL MG1 . . 2.700 2.332 2.253 2.405 . 0 0 "[ . 1 . 2]" 1
512 1 34 VAL HA 1 34 VAL MG2 . . 2.700 2.351 2.274 2.423 . 0 0 "[ . 1 . 2]" 1
513 1 34 VAL H 1 34 VAL MG2 . . 2.700 2.172 1.975 2.314 . 0 0 "[ . 1 . 2]" 1
514 1 34 VAL H 1 34 VAL HB . . 2.700 2.551 2.506 2.625 . 0 0 "[ . 1 . 2]" 1
515 1 34 VAL HB 1 35 TRP H . . 2.700 2.267 2.160 2.351 . 0 0 "[ . 1 . 2]" 1
516 1 34 VAL MG1 1 37 ALA MB . . 5.000 3.790 3.470 4.131 . 0 0 "[ . 1 . 2]" 1
517 1 34 VAL MG2 1 37 ALA MB . . 5.000 4.412 4.131 4.632 . 0 0 "[ . 1 . 2]" 1
518 1 35 TRP HE3 1 36 ALA H . . 3.300 3.301 3.160 3.347 0.047 5 0 "[ . 1 . 2]" 1
519 1 35 TRP HZ2 1 39 LYS QE . . 5.000 2.729 1.973 4.540 . 0 0 "[ . 1 . 2]" 1
520 1 35 TRP HZ2 1 73 ASN HA . . 5.000 3.890 2.900 4.842 . 0 0 "[ . 1 . 2]" 1
521 1 35 TRP HZ2 1 73 ASN HB3 . . 5.000 4.308 2.972 5.027 0.027 12 0 "[ . 1 . 2]" 1
522 1 35 TRP HH2 1 73 ASN HA . . 5.000 3.756 3.138 4.314 . 0 0 "[ . 1 . 2]" 1
523 1 35 TRP HH2 1 77 LEU H . . 3.300 2.809 2.336 3.113 . 0 0 "[ . 1 . 2]" 1
524 1 35 TRP HZ3 1 77 LEU H . . 3.300 3.320 3.302 3.351 0.051 5 0 "[ . 1 . 2]" 1
525 1 35 TRP HZ3 1 77 LEU HA . . 2.700 2.025 1.958 2.499 . 0 0 "[ . 1 . 2]" 1
526 1 35 TRP HH2 1 77 LEU HA . . 5.000 3.684 3.372 4.178 . 0 0 "[ . 1 . 2]" 1
527 1 35 TRP HZ3 1 77 LEU MD1 . . 5.000 2.673 1.996 3.548 . 0 0 "[ . 1 . 2]" 1
528 1 35 TRP HE3 1 77 LEU MD1 . . 5.000 3.304 2.753 4.072 . 0 0 "[ . 1 . 2]" 1
529 1 35 TRP HZ3 1 80 THR H . . 5.000 4.839 4.439 5.019 0.019 9 0 "[ . 1 . 2]" 1
530 1 35 TRP HE3 1 80 THR MG . . 5.000 3.789 3.532 4.088 . 0 0 "[ . 1 . 2]" 1
531 1 36 ALA MB 1 37 ALA H . . 3.300 2.294 2.171 2.426 . 0 0 "[ . 1 . 2]" 1
532 1 36 ALA HA 1 77 LEU MD1 . . 2.700 2.178 1.945 2.501 . 0 0 "[ . 1 . 2]" 1
533 1 36 ALA MB 1 77 LEU MD1 . . 3.300 2.558 2.295 3.057 . 0 0 "[ . 1 . 2]" 1
534 1 36 ALA MB 1 80 THR MG . . 3.300 2.286 1.849 2.682 . 0 0 "[ . 1 . 2]" 1
535 1 36 ALA MB 1 80 THR HB . . 5.000 3.192 2.689 3.616 . 0 0 "[ . 1 . 2]" 1
536 1 37 ALA MB 1 47 GLU QB . . 2.700 2.371 1.863 2.761 0.061 9 0 "[ . 1 . 2]" 1
537 1 37 ALA HA 1 50 LEU MD1 . . 2.700 2.250 1.993 2.510 . 0 0 "[ . 1 . 2]" 1
538 1 37 ALA H 1 50 LEU MD1 . . 3.300 3.230 3.018 3.349 0.049 7 0 "[ . 1 . 2]" 1
539 1 37 ALA MB 1 50 LEU MD1 . . 3.300 2.302 1.975 2.785 . 0 0 "[ . 1 . 2]" 1
540 1 39 LYS QB 1 77 LEU MD1 . . 3.300 2.532 1.802 3.169 . 0 0 "[ . 1 . 2]" 1
541 1 40 LEU H 1 40 LEU HG . . 5.000 2.494 2.355 2.593 . 0 0 "[ . 1 . 2]" 1
542 1 40 LEU HA 1 43 PHE HD2 . . 3.300 3.294 3.079 3.339 0.039 17 0 "[ . 1 . 2]" 1
543 1 40 LEU HA 1 45 LEU HB2 . . 3.300 2.595 2.443 2.716 . 0 0 "[ . 1 . 2]" 1
544 1 40 LEU MD2 1 45 LEU HB2 . . 3.300 2.096 1.930 2.284 . 0 0 "[ . 1 . 2]" 1
545 1 40 LEU HA 1 45 LEU MD1 . . 5.000 3.274 2.863 3.578 . 0 0 "[ . 1 . 2]" 1
546 1 40 LEU HA 1 45 LEU MD2 . . 5.000 5.063 5.032 5.106 0.106 9 0 "[ . 1 . 2]" 1
547 1 40 LEU MD1 1 47 GLU HA . . 2.700 2.379 1.933 2.684 . 0 0 "[ . 1 . 2]" 1
548 1 40 LEU MD1 1 47 GLU HB3 . . 5.000 3.711 2.994 4.328 . 0 0 "[ . 1 . 2]" 1
549 1 40 LEU MD1 1 50 LEU HG . . 2.700 2.664 2.490 2.732 0.032 19 0 "[ . 1 . 2]" 1
550 1 40 LEU MD1 1 50 LEU MD2 . . 3.300 2.900 2.550 3.311 0.011 2 0 "[ . 1 . 2]" 1
551 1 40 LEU MD1 1 59 ILE MD . . 3.300 2.313 1.914 2.704 . 0 0 "[ . 1 . 2]" 1
552 1 40 LEU MD2 1 63 LEU MD1 . . 5.000 3.673 3.192 4.054 . 0 0 "[ . 1 . 2]" 1
553 1 40 LEU H 1 77 LEU MD1 . . 5.000 3.989 3.021 4.586 . 0 0 "[ . 1 . 2]" 1
554 1 40 LEU MD2 1 77 LEU MD1 . . 5.000 3.486 2.951 3.904 . 0 0 "[ . 1 . 2]" 1
555 1 40 LEU MD2 1 77 LEU MD2 . . 5.000 2.850 2.331 3.315 . 0 0 "[ . 1 . 2]" 1
556 1 37 ALA HA 1 40 LEU HG . . 5.000 3.551 3.218 3.970 . 0 0 "[ . 1 . 2]" 1
557 1 41 ASP H 1 47 GLU HB3 . . 5.000 4.396 3.403 5.115 0.115 9 0 "[ . 1 . 2]" 1
558 1 43 PHE H 1 43 PHE HB2 . . 2.700 2.289 2.209 2.345 . 0 0 "[ . 1 . 2]" 1
559 1 43 PHE HB3 1 45 LEU MD1 . . 5.000 3.726 3.179 4.232 . 0 0 "[ . 1 . 2]" 1
560 1 43 PHE QE 1 74 LEU HA . . 5.000 4.239 3.395 5.002 0.002 8 0 "[ . 1 . 2]" 1
561 1 43 PHE QE 1 74 LEU MD1 . . 5.000 4.471 3.599 5.008 0.008 5 0 "[ . 1 . 2]" 1
562 1 45 LEU H 1 45 LEU HB2 . . 2.700 2.254 2.154 2.466 . 0 0 "[ . 1 . 2]" 1
563 1 45 LEU HA 1 45 LEU MD2 . . 3.300 2.616 2.202 2.866 . 0 0 "[ . 1 . 2]" 1
564 1 45 LEU H 1 45 LEU MD1 . . 5.000 3.260 3.012 3.499 . 0 0 "[ . 1 . 2]" 1
565 1 45 LEU H 1 45 LEU HG . . 3.300 3.149 2.378 3.372 0.072 4 0 "[ . 1 . 2]" 1
566 1 45 LEU MD2 1 46 ALA H . . 3.300 2.947 2.581 3.276 . 0 0 "[ . 1 . 2]" 1
567 1 45 LEU MD2 1 49 LEU MD1 . . 3.300 2.315 1.807 3.346 0.046 4 0 "[ . 1 . 2]" 1
568 1 45 LEU MD1 1 59 ILE HA . . 3.300 3.329 3.309 3.352 0.052 17 0 "[ . 1 . 2]" 1
569 1 45 LEU MD1 1 59 ILE MG . . 5.000 2.452 1.987 2.916 . 0 0 "[ . 1 . 2]" 1
570 1 45 LEU MD2 1 62 VAL HB . . 5.000 4.458 3.669 4.943 . 0 0 "[ . 1 . 2]" 1
571 1 46 ALA HA 1 48 SER H . . 5.000 4.098 3.693 4.409 . 0 0 "[ . 1 . 2]" 1
572 1 46 ALA MB 1 48 SER H . . 2.700 2.464 2.041 2.813 0.113 4 0 "[ . 1 . 2]" 1
573 1 46 ALA MB 1 49 LEU MD1 . . 5.000 3.242 1.908 4.593 . 0 0 "[ . 1 . 2]" 1
574 1 46 ALA H 1 49 LEU MD1 . . 5.000 2.985 1.993 3.981 . 0 0 "[ . 1 . 2]" 1
575 1 46 ALA MB 1 49 LEU H . . 5.000 3.477 2.693 4.184 . 0 0 "[ . 1 . 2]" 1
576 1 48 SER H 1 49 LEU HG . . 5.000 3.830 3.570 4.117 . 0 0 "[ . 1 . 2]" 1
577 1 48 SER HA 1 51 GLU QG . . 3.300 2.960 2.251 3.341 0.041 18 0 "[ . 1 . 2]" 1
578 1 48 SER QB 1 51 GLU QG . . 5.000 4.396 2.769 5.030 0.030 17 0 "[ . 1 . 2]" 1
579 1 49 LEU H 1 49 LEU HG . . 2.700 2.453 2.199 2.645 . 0 0 "[ . 1 . 2]" 1
580 1 49 LEU HA 1 49 LEU HG . . 3.300 3.113 2.904 3.296 . 0 0 "[ . 1 . 2]" 1
581 1 49 LEU HA 1 49 LEU MD2 . . 2.700 2.109 1.960 2.557 . 0 0 "[ . 1 . 2]" 1
582 1 49 LEU H 1 49 LEU HB2 . . 2.700 2.551 2.328 2.735 0.035 14 0 "[ . 1 . 2]" 1
583 1 49 LEU HA 1 55 GLY HA3 . . 3.300 2.670 1.978 3.324 0.024 4 0 "[ . 1 . 2]" 1
584 1 49 LEU MD2 1 55 GLY HA3 . . 3.300 2.524 2.010 3.053 . 0 0 "[ . 1 . 2]" 1
585 1 49 LEU MD2 1 55 GLY HA2 . . 3.300 2.645 2.043 3.300 . 2 0 "[ . 1 . 2]" 1
586 1 50 LEU HA 1 50 LEU MD2 . . 2.700 2.284 2.068 2.579 . 0 0 "[ . 1 . 2]" 1
587 1 50 LEU H 1 50 LEU HG . . 3.300 3.266 2.971 3.362 0.062 16 0 "[ . 1 . 2]" 1
588 1 50 LEU HA 1 50 LEU HG . . 3.300 2.712 2.459 2.928 . 0 0 "[ . 1 . 2]" 1
589 1 50 LEU MD2 1 56 CYS HA . . 5.000 4.416 4.158 4.617 . 0 0 "[ . 1 . 2]" 1
590 1 50 LEU HA 1 56 CYS HA . . 5.000 4.404 4.158 4.639 . 0 0 "[ . 1 . 2]" 1
591 1 50 LEU HA 1 59 ILE MD . . 5.000 3.911 3.486 4.634 . 0 0 "[ . 1 . 2]" 1
592 1 50 LEU HG 1 59 ILE MD . . 5.000 3.179 2.830 3.613 . 0 0 "[ . 1 . 2]" 1
593 1 50 LEU MD2 1 59 ILE MD . . 3.300 3.218 2.982 3.315 0.015 4 0 "[ . 1 . 2]" 1
594 1 50 LEU HA 1 84 ILE MG . . 5.000 2.971 2.693 3.267 . 0 0 "[ . 1 . 2]" 1
595 1 50 LEU MD2 1 84 ILE MD . . 2.700 2.730 2.713 2.746 0.046 16 0 "[ . 1 . 2]" 1
596 1 52 SER HA 1 52 SER QB . . 2.700 2.160 2.158 2.165 . 0 0 "[ . 1 . 2]" 1
597 1 52 SER QB 1 55 GLY H . . 5.000 3.515 3.387 3.565 . 0 0 "[ . 1 . 2]" 1
598 1 52 SER HA 1 88 HIS HD2 . . 5.000 4.727 4.200 5.014 0.014 12 0 "[ . 1 . 2]" 1
599 1 53 LYS HA 1 85 TRP HD1 . . 3.300 3.261 3.095 3.348 0.048 20 0 "[ . 1 . 2]" 1
600 1 53 LYS QD 1 85 TRP HZ2 . . 5.000 4.440 2.863 5.004 0.004 15 0 "[ . 1 . 2]" 1
601 1 53 LYS QG 1 85 TRP HE1 . . 5.000 3.516 2.084 4.069 . 0 0 "[ . 1 . 2]" 1
602 1 53 LYS QD 1 85 TRP HE1 . . 5.000 4.324 3.136 4.969 . 0 0 "[ . 1 . 2]" 1
603 1 53 LYS HA 1 88 HIS HB2 . . 3.300 3.068 2.880 3.316 0.016 3 0 "[ . 1 . 2]" 1
604 1 53 LYS HA 1 88 HIS HB3 . . 5.000 3.622 3.333 3.951 . 0 0 "[ . 1 . 2]" 1
605 1 53 LYS HA 1 88 HIS HD2 . . 3.300 3.051 2.727 3.304 0.004 19 0 "[ . 1 . 2]" 1
606 1 53 LYS H 1 88 HIS HD2 . . 5.000 4.338 3.798 4.643 . 0 0 "[ . 1 . 2]" 1
607 1 53 LYS H 1 88 HIS HB3 . . 3.300 3.318 3.213 3.357 0.057 14 0 "[ . 1 . 2]" 1
608 1 49 LEU MD2 1 55 GLY H . . 5.000 4.320 3.927 4.782 . 0 0 "[ . 1 . 2]" 1
609 1 56 CYS H 1 85 TRP HD1 . . 5.000 3.789 3.577 4.110 . 0 0 "[ . 1 . 2]" 1
610 1 56 CYS HB2 1 85 TRP HD1 . . 2.700 2.572 1.986 2.725 0.025 8 0 "[ . 1 . 2]" 1
611 1 56 CYS HB3 1 85 TRP H . . 5.000 4.025 3.535 4.288 . 0 0 "[ . 1 . 2]" 1
612 1 56 CYS HB2 1 88 HIS HD2 . . 5.000 3.973 3.606 4.700 . 0 0 "[ . 1 . 2]" 1
613 1 57 GLN H 1 85 TRP HD1 . . 3.300 2.949 2.567 3.293 . 0 0 "[ . 1 . 2]" 1
614 1 57 GLN H 1 85 TRP HE1 . . 5.000 3.994 3.638 4.546 . 0 0 "[ . 1 . 2]" 1
615 1 57 GLN QB 1 85 TRP HE1 . . 5.000 2.892 2.168 3.679 . 0 0 "[ . 1 . 2]" 1
616 1 57 GLN QG 1 85 TRP HE1 . . 5.000 3.081 2.480 4.154 . 0 0 "[ . 1 . 2]" 1
617 1 57 GLN QB 1 85 TRP HD1 . . 5.000 3.442 3.048 4.005 . 0 0 "[ . 1 . 2]" 1
618 1 57 GLN QG 1 85 TRP HD1 . . 5.000 4.134 3.565 5.000 0.000 7 0 "[ . 1 . 2]" 1
619 1 59 ILE H 1 59 ILE MD . . 5.000 3.682 3.538 3.935 . 0 0 "[ . 1 . 2]" 1
620 1 59 ILE H 1 59 ILE HB . . 3.300 2.590 2.382 2.663 . 0 0 "[ . 1 . 2]" 1
621 1 59 ILE H 1 59 ILE HG13 . . 2.700 2.213 1.958 2.725 0.025 8 0 "[ . 1 . 2]" 1
622 1 59 ILE MG 1 60 LEU H . . 5.000 3.574 2.954 3.889 . 0 0 "[ . 1 . 2]" 1
623 1 59 ILE HB 1 60 LEU H . . 2.700 2.634 2.320 2.945 0.245 16 0 "[ . 1 . 2]" 1
624 1 59 ILE MG 1 63 LEU MD1 . . 3.300 1.856 1.729 1.999 . 0 0 "[ . 1 . 2]" 1
625 1 59 ILE MG 1 63 LEU HG . . 3.300 2.945 2.656 3.158 . 0 0 "[ . 1 . 2]" 1
626 1 60 LEU HA 1 60 LEU MD2 . . 2.700 2.092 1.998 2.357 . 0 0 "[ . 1 . 2]" 1
627 1 60 LEU H 1 60 LEU HB2 . . 2.700 2.389 2.310 2.527 . 0 0 "[ . 1 . 2]" 1
628 1 60 LEU H 1 60 LEU HG . . 2.700 2.497 2.151 2.700 . 0 0 "[ . 1 . 2]" 1
629 1 60 LEU HB2 1 61 THR H . . 3.300 2.849 2.658 2.984 . 0 0 "[ . 1 . 2]" 1
630 1 60 LEU HA 1 63 LEU MD1 . . 5.000 2.921 2.582 3.268 . 0 0 "[ . 1 . 2]" 1
631 1 60 LEU HA 1 78 PHE HE1 . . 3.300 2.536 1.998 3.281 . 0 0 "[ . 1 . 2]" 1
632 1 60 LEU HA 1 78 PHE HD1 . . 3.300 2.874 2.625 3.286 . 0 0 "[ . 1 . 2]" 1
633 1 60 LEU MD2 1 78 PHE HE1 . . 3.300 2.411 2.186 2.616 . 0 0 "[ . 1 . 2]" 1
634 1 60 LEU MD2 1 78 PHE HD1 . . 3.300 2.575 2.252 2.838 . 0 0 "[ . 1 . 2]" 1
635 1 60 LEU MD2 1 78 PHE HA . . 5.000 3.161 2.803 3.504 . 0 0 "[ . 1 . 2]" 1
636 1 60 LEU MD2 1 81 VAL MG2 . . 3.300 3.110 2.996 3.301 0.001 19 0 "[ . 1 . 2]" 1
637 1 60 LEU MD2 1 81 VAL HB . . 2.700 1.905 1.868 1.974 . 0 0 "[ . 1 . 2]" 1
638 1 60 LEU H 1 81 VAL MG2 . . 5.000 4.964 4.480 5.078 0.078 7 0 "[ . 1 . 2]" 1
639 1 60 LEU MD2 1 82 CYS HA . . 5.000 2.670 2.426 2.987 . 0 0 "[ . 1 . 2]" 1
640 1 60 LEU MD1 1 82 CYS HA . . 3.300 2.111 1.872 2.836 . 0 0 "[ . 1 . 2]" 1
641 1 60 LEU MD2 1 82 CYS H . . 3.300 2.513 2.173 3.094 . 0 0 "[ . 1 . 2]" 1
642 1 60 LEU MD1 1 85 TRP HB2 . . 5.000 2.823 2.437 3.467 . 0 0 "[ . 1 . 2]" 1
643 1 60 LEU MD1 1 85 TRP HB3 . . 5.000 2.817 2.494 3.238 . 0 0 "[ . 1 . 2]" 1
644 1 60 LEU MD1 1 85 TRP HD1 . . 5.000 3.837 3.225 4.851 . 0 0 "[ . 1 . 2]" 1
645 1 60 LEU MD1 1 103 VAL MG1 . . 3.300 1.941 1.819 2.325 . 0 0 "[ . 1 . 2]" 1
646 1 58 LYS HA 1 61 THR MG . . 3.300 2.204 1.992 2.569 . 0 0 "[ . 1 . 2]" 1
647 1 58 LYS HA 1 61 THR HB . . 3.300 3.389 3.339 3.444 0.144 8 0 "[ . 1 . 2]" 1
648 1 61 THR H 1 61 THR HB . . 2.700 2.393 2.242 2.486 . 0 0 "[ . 1 . 2]" 1
649 1 63 LEU H 1 63 LEU HG . . 2.700 2.135 2.013 2.369 . 0 0 "[ . 1 . 2]" 1
650 1 63 LEU HA 1 63 LEU MD2 . . 3.300 2.368 2.090 2.702 . 0 0 "[ . 1 . 2]" 1
651 1 63 LEU HA 1 66 MET HB2 . . 3.300 2.064 1.965 2.388 . 0 0 "[ . 1 . 2]" 1
652 1 63 LEU HA 1 66 MET QG . . 5.000 3.070 2.485 3.778 . 0 0 "[ . 1 . 2]" 1
653 1 63 LEU HA 1 74 LEU MD1 . . 5.000 3.438 2.769 3.888 . 0 0 "[ . 1 . 2]" 1
654 1 63 LEU MD2 1 74 LEU MD1 . . 5.000 2.351 1.882 2.874 . 0 0 "[ . 1 . 2]" 1
655 1 63 LEU MD1 1 77 LEU MD2 . . 5.000 2.655 2.103 3.495 . 0 0 "[ . 1 . 2]" 1
656 1 63 LEU MD2 1 77 LEU MD2 . . 5.000 2.756 2.172 3.754 . 0 0 "[ . 1 . 2]" 1
657 1 63 LEU MD1 1 77 LEU HG . . 3.300 2.796 2.210 3.308 0.008 8 0 "[ . 1 . 2]" 1
658 1 63 LEU MD1 1 78 PHE H . . 5.000 3.620 3.147 4.149 . 0 0 "[ . 1 . 2]" 1
659 1 63 LEU MD1 1 78 PHE HA . . 3.300 2.519 2.068 2.988 . 0 0 "[ . 1 . 2]" 1
660 1 63 LEU MD1 1 78 PHE HD1 . . 3.300 2.511 2.208 2.913 . 0 0 "[ . 1 . 2]" 1
661 1 63 LEU MD1 1 81 VAL MG1 . . 3.300 3.312 3.170 3.346 0.046 5 0 "[ . 1 . 2]" 1
662 1 64 ASP H 1 65 PRO HD2 . . 3.300 2.200 2.155 2.255 . 0 0 "[ . 1 . 2]" 1
663 1 64 ASP H 1 65 PRO HD3 . . 3.300 3.276 3.230 3.312 0.012 17 0 "[ . 1 . 2]" 1
664 1 64 ASP QB 1 65 PRO QD . . 2.700 1.814 1.789 1.842 . 0 0 "[ . 1 . 2]" 1
665 1 64 ASP QB 1 78 PHE HE1 . . 5.000 3.939 3.087 4.488 . 0 0 "[ . 1 . 2]" 1
666 1 64 ASP H 1 78 PHE HE1 . . 5.000 3.710 3.394 4.152 . 0 0 "[ . 1 . 2]" 1
667 1 64 ASP H 1 78 PHE HD1 . . 5.000 4.472 4.230 4.766 . 0 0 "[ . 1 . 2]" 1
668 1 64 ASP HA 1 78 PHE HE1 . . 3.300 3.194 2.766 3.324 0.024 20 0 "[ . 1 . 2]" 1
669 1 64 ASP HA 1 78 PHE HD1 . . 5.000 4.459 3.969 4.794 . 0 0 "[ . 1 . 2]" 1
670 1 65 PRO HB2 1 66 MET H . . 5.000 3.789 3.651 3.877 . 0 0 "[ . 1 . 2]" 1
671 1 65 PRO HG2 1 66 MET H . . 3.300 3.031 2.808 3.181 . 0 0 "[ . 1 . 2]" 1
672 1 65 PRO HD2 1 66 MET H . . 3.300 2.836 2.736 2.919 . 0 0 "[ . 1 . 2]" 1
673 1 66 MET QB 1 74 LEU MD1 . . 5.000 2.224 1.871 2.922 . 0 0 "[ . 1 . 2]" 1
674 1 66 MET QB 1 74 LEU MD2 . . 5.000 2.000 1.768 2.253 . 0 0 "[ . 1 . 2]" 1
675 1 65 PRO HD2 1 67 VAL H . . 5.000 4.630 4.575 4.744 . 0 0 "[ . 1 . 2]" 1
676 1 67 VAL H 1 67 VAL MG2 . . 3.300 2.573 2.503 2.675 . 0 0 "[ . 1 . 2]" 1
677 1 67 VAL H 1 67 VAL HB . . 2.700 2.292 2.237 2.347 . 0 0 "[ . 1 . 2]" 1
678 1 67 VAL HA 1 67 VAL MG2 . . 2.700 2.179 2.126 2.235 . 0 0 "[ . 1 . 2]" 1
679 1 67 VAL HA 1 74 LEU MD2 . . 2.700 2.464 2.063 2.707 0.007 19 0 "[ . 1 . 2]" 1
680 1 67 VAL MG2 1 74 LEU MD2 . . 3.300 3.027 2.696 3.302 0.002 7 0 "[ . 1 . 2]" 1
681 1 67 VAL MG2 1 75 LYS HA . . 3.300 3.280 3.020 3.338 0.038 11 0 "[ . 1 . 2]" 1
682 1 67 VAL MG2 1 75 LYS QB . . 5.000 4.547 4.245 4.780 . 0 0 "[ . 1 . 2]" 1
683 1 67 VAL MG2 1 75 LYS QG . . 3.300 2.998 2.449 3.302 0.002 3 0 "[ . 1 . 2]" 1
684 1 67 VAL MG1 1 75 LYS QG . . 3.300 2.813 2.491 3.192 . 0 0 "[ . 1 . 2]" 1
685 1 67 VAL MG1 1 75 LYS QE . . 3.300 2.422 1.918 3.302 0.002 8 0 "[ . 1 . 2]" 1
686 1 67 VAL MG2 1 78 PHE QE . . 2.700 2.611 2.464 2.743 0.043 4 0 "[ . 1 . 2]" 1
687 1 67 VAL MG2 1 78 PHE QD . . 2.700 2.532 2.318 2.711 0.011 11 0 "[ . 1 . 2]" 1
688 1 67 VAL MG2 1 78 PHE HB2 . . 3.300 3.213 2.870 3.321 0.021 8 0 "[ . 1 . 2]" 1
689 1 67 VAL MG2 1 78 PHE HB3 . . 3.300 3.195 2.805 3.337 0.037 16 0 "[ . 1 . 2]" 1
690 1 68 PRO HB2 1 69 THR H . . 5.000 3.480 3.120 3.995 . 0 0 "[ . 1 . 2]" 1
691 1 68 PRO HG2 1 69 THR H . . 3.300 2.620 2.126 3.407 0.107 17 0 "[ . 1 . 2]" 1
692 1 68 PRO HD2 1 69 THR H . . 3.300 2.778 2.646 3.072 . 0 0 "[ . 1 . 2]" 1
693 1 70 GLY H 1 74 LEU MD2 . . 5.000 3.974 3.537 4.581 . 0 0 "[ . 1 . 2]" 1
694 1 70 GLY HA3 1 74 LEU MD2 . . 3.300 2.242 1.967 2.992 . 0 0 "[ . 1 . 2]" 1
695 1 70 GLY HA2 1 74 LEU MD2 . . 5.000 3.757 3.390 4.469 . 0 0 "[ . 1 . 2]" 1
696 1 70 GLY H 1 75 LYS QE . . 5.000 3.774 3.143 4.616 . 0 0 "[ . 1 . 2]" 1
697 1 71 SER H 1 71 SER HB3 . . 2.700 2.230 2.158 2.333 . 0 0 "[ . 1 . 2]" 1
698 1 71 SER HB2 1 72 GLU H . . 2.700 2.509 2.325 2.685 . 0 0 "[ . 1 . 2]" 1
699 1 71 SER H 1 74 LEU MD2 . . 5.000 4.432 4.142 5.007 0.007 13 0 "[ . 1 . 2]" 1
700 1 71 SER H 1 74 LEU QB . . 5.000 3.254 2.809 3.837 . 0 0 "[ . 1 . 2]" 1
701 1 74 LEU H 1 74 LEU QB . . 2.700 2.296 2.233 2.325 . 0 0 "[ . 1 . 2]" 1
702 1 74 LEU HA 1 74 LEU HG . . 2.700 2.443 2.330 2.554 . 0 0 "[ . 1 . 2]" 1
703 1 74 LEU HG 1 78 PHE H . . 5.000 4.645 3.880 5.012 0.012 4 0 "[ . 1 . 2]" 1
704 1 35 TRP HH2 1 76 SER QB . . 3.300 2.422 1.922 2.884 . 0 0 "[ . 1 . 2]" 1
705 1 77 LEU HA 1 77 LEU MD1 . . 2.700 2.239 1.984 2.437 . 0 0 "[ . 1 . 2]" 1
706 1 77 LEU QB 1 78 PHE H . . 3.300 2.659 2.303 3.062 . 0 0 "[ . 1 . 2]" 1
707 1 77 LEU HG 1 81 VAL MG2 . . 3.300 2.362 1.894 3.130 . 0 0 "[ . 1 . 2]" 1
708 1 77 LEU MD1 1 81 VAL MG2 . . 3.300 2.465 1.967 3.103 . 0 0 "[ . 1 . 2]" 1
709 1 78 PHE HE2 1 100 LYS QG . . 5.000 3.285 2.584 3.892 . 0 0 "[ . 1 . 2]" 1
710 1 78 PHE HD2 1 100 LYS QG . . 5.000 4.134 3.448 4.875 . 0 0 "[ . 1 . 2]" 1
711 1 79 ASN HA 1 96 THR MG . . 5.000 3.283 2.954 4.031 . 0 0 "[ . 1 . 2]" 1
712 1 79 ASN QB 1 96 THR MG . . 3.300 2.079 1.879 2.758 . 0 0 "[ . 1 . 2]" 1
713 1 79 ASN HA 1 100 LYS QG . . 3.300 3.292 3.049 3.328 0.028 3 0 "[ . 1 . 2]" 1
714 1 80 THR HA 1 80 THR MG . . 2.700 2.284 2.177 2.380 . 0 0 "[ . 1 . 2]" 1
715 1 80 THR H 1 80 THR HB . . 2.700 2.592 2.509 2.717 0.017 13 0 "[ . 1 . 2]" 1
716 1 80 THR HB 1 81 VAL H . . 2.700 2.626 2.375 2.721 0.021 9 0 "[ . 1 . 2]" 1
717 1 81 VAL HA 1 81 VAL MG2 . . 2.700 2.360 2.285 2.404 . 0 0 "[ . 1 . 2]" 1
718 1 81 VAL H 1 81 VAL HB . . 2.700 2.564 2.478 2.669 . 0 0 "[ . 1 . 2]" 1
719 1 81 VAL HB 1 82 CYS H . . 3.300 2.584 2.260 2.885 . 0 0 "[ . 1 . 2]" 1
720 1 81 VAL MG1 1 82 CYS H . . 5.000 3.429 3.065 3.597 . 0 0 "[ . 1 . 2]" 1
721 1 82 CYS QB 1 99 ALA MB . . 5.000 2.892 1.956 3.792 . 0 0 "[ . 1 . 2]" 1
722 1 82 CYS QB 1 100 LYS HA . . 5.000 2.620 2.220 3.196 . 0 0 "[ . 1 . 2]" 1
723 1 82 CYS HA 1 103 VAL MG2 . . 2.700 2.702 2.546 2.771 0.071 5 0 "[ . 1 . 2]" 1
724 1 82 CYS QB 1 103 VAL MG2 . . 3.300 2.440 2.077 3.003 . 0 0 "[ . 1 . 2]" 1
725 1 82 CYS QB 1 103 VAL MG1 . . 5.000 4.044 3.700 4.436 . 0 0 "[ . 1 . 2]" 1
726 1 83 VAL H 1 83 VAL HB . . 2.700 2.510 2.463 2.558 . 0 0 "[ . 1 . 2]" 1
727 1 83 VAL H 1 83 VAL MG2 . . 3.300 2.268 2.039 2.421 . 0 0 "[ . 1 . 2]" 1
728 1 83 VAL HA 1 83 VAL MG2 . . 2.700 2.351 2.261 2.438 . 0 0 "[ . 1 . 2]" 1
729 1 83 VAL HA 1 83 VAL MG1 . . 2.700 2.341 2.270 2.406 . 0 0 "[ . 1 . 2]" 1
730 1 83 VAL HB 1 84 ILE H . . 2.700 2.552 2.287 2.647 . 0 0 "[ . 1 . 2]" 1
731 1 83 VAL MG1 1 87 ILE MG . . 5.000 4.781 4.613 5.022 0.022 6 0 "[ . 1 . 2]" 1
732 1 83 VAL MG1 1 93 VAL MG2 . . 5.000 3.250 2.458 3.865 . 0 0 "[ . 1 . 2]" 1
733 1 83 VAL HA 1 93 VAL MG2 . . 5.000 3.916 3.105 4.506 . 0 0 "[ . 1 . 2]" 1
734 1 83 VAL MG2 1 96 THR HA . . 2.700 2.705 2.446 2.749 0.049 18 0 "[ . 1 . 2]" 1
735 1 83 VAL MG2 1 96 THR MG . . 2.700 2.461 1.963 2.714 0.014 19 0 "[ . 1 . 2]" 1
736 1 83 VAL MG2 1 99 ALA MB . . 3.300 2.437 1.974 2.797 . 0 0 "[ . 1 . 2]" 1
737 1 83 VAL H 1 99 ALA MB . . 5.000 3.885 3.336 4.254 . 0 0 "[ . 1 . 2]" 1
738 1 83 VAL HA 1 99 ALA MB . . 2.700 2.523 1.946 2.718 0.018 14 0 "[ . 1 . 2]" 1
739 1 84 ILE HA 1 84 ILE MD . . 3.300 2.142 2.054 2.259 . 0 0 "[ . 1 . 2]" 1
740 1 84 ILE H 1 84 ILE HB . . 2.700 2.530 2.478 2.593 . 0 0 "[ . 1 . 2]" 1
741 1 84 ILE H 1 84 ILE QG . . 2.700 2.085 1.964 2.199 . 0 0 "[ . 1 . 2]" 1
742 1 84 ILE HB 1 85 TRP H . . 3.300 2.420 2.251 2.718 . 0 0 "[ . 1 . 2]" 1
743 1 84 ILE MG 1 88 HIS HD2 . . 2.700 2.607 2.135 2.737 0.037 17 0 "[ . 1 . 2]" 1
744 1 85 TRP H 1 85 TRP HB2 . . 2.700 2.518 2.452 2.591 . 0 0 "[ . 1 . 2]" 1
745 1 85 TRP H 1 85 TRP HB3 . . 2.700 2.546 2.476 2.616 . 0 0 "[ . 1 . 2]" 1
746 1 85 TRP HE3 1 86 CYS HA . . 2.700 2.381 2.157 2.706 0.006 17 0 "[ . 1 . 2]" 1
747 1 85 TRP HB3 1 86 CYS H . . 2.700 2.611 2.423 2.762 0.062 9 0 "[ . 1 . 2]" 1
748 1 85 TRP HA 1 88 HIS HD2 . . 3.300 3.191 2.920 3.320 0.020 8 0 "[ . 1 . 2]" 1
749 1 85 TRP QB 1 103 VAL MG2 . . 5.000 3.087 2.806 3.421 . 0 0 "[ . 1 . 2]" 1
750 1 85 TRP HE3 1 103 VAL MG2 . . 2.700 2.558 2.131 2.710 0.010 1 0 "[ . 1 . 2]" 1
751 1 85 TRP HZ3 1 103 VAL MG2 . . 5.000 3.120 2.389 3.598 . 0 0 "[ . 1 . 2]" 1
752 1 86 CYS HB3 1 91 GLU QB . . 5.000 3.011 2.490 3.645 . 0 0 "[ . 1 . 2]" 1
753 1 86 CYS HA 1 91 GLU QB . . 3.300 2.763 2.175 3.312 0.012 14 0 "[ . 1 . 2]" 1
754 1 86 CYS HB3 1 91 GLU H . . 5.000 3.956 3.704 4.467 . 0 0 "[ . 1 . 2]" 1
755 1 86 CYS HA 1 91 GLU H . . 5.000 3.721 3.460 4.013 . 0 0 "[ . 1 . 2]" 1
756 1 86 CYS HB3 1 93 VAL MG1 . . 5.000 2.756 2.415 3.160 . 0 0 "[ . 1 . 2]" 1
757 1 86 CYS HB2 1 99 ALA MB . . 5.000 3.179 2.724 3.704 . 0 0 "[ . 1 . 2]" 1
758 1 86 CYS HA 1 103 VAL MG2 . . 5.000 4.110 3.817 4.428 . 0 0 "[ . 1 . 2]" 1
759 1 86 CYS H 1 103 VAL MG2 . . 5.000 3.909 3.535 4.265 . 0 0 "[ . 1 . 2]" 1
760 1 87 ILE HA 1 87 ILE QG . . 2.700 2.451 2.440 2.462 . 0 0 "[ . 1 . 2]" 1
761 1 87 ILE HA 1 87 ILE MG . . 2.700 2.321 2.299 2.371 . 0 0 "[ . 1 . 2]" 1
762 1 87 ILE H 1 87 ILE HG13 . . 2.700 1.992 1.935 2.279 . 0 0 "[ . 1 . 2]" 1
763 1 87 ILE H 1 87 ILE HB . . 2.700 2.599 2.499 2.626 . 0 0 "[ . 1 . 2]" 1
764 1 87 ILE HB 1 88 HIS H . . 2.700 2.609 2.464 2.715 0.015 18 0 "[ . 1 . 2]" 1
765 1 88 HIS HB2 1 88 HIS HD2 . . 3.300 2.744 2.702 2.817 . 0 0 "[ . 1 . 2]" 1
766 1 53 LYS QD 1 89 ALA HA . . 2.900 2.230 1.867 2.615 . 0 0 "[ . 1 . 2]" 1
767 1 53 LYS QE 1 89 ALA HA . . 3.300 3.044 2.374 3.316 0.016 12 0 "[ . 1 . 2]" 1
768 1 85 TRP HH2 1 89 ALA MB . . 3.300 2.943 2.753 3.095 . 0 0 "[ . 1 . 2]" 1
769 1 85 TRP HZ2 1 89 ALA MB . . 3.300 3.235 2.871 3.321 0.021 10 0 "[ . 1 . 2]" 1
770 1 85 TRP HZ3 1 89 ALA MB . . 3.300 2.925 2.711 3.120 . 0 0 "[ . 1 . 2]" 1
771 1 85 TRP HE3 1 89 ALA MB . . 3.300 3.223 3.074 3.319 0.020 20 0 "[ . 1 . 2]" 1
772 1 89 ALA MB 1 91 GLU QB . . 3.300 3.270 3.126 3.337 0.037 10 0 "[ . 1 . 2]" 1
773 1 89 ALA MB 1 91 GLU QG . . 2.700 2.459 2.101 2.723 0.023 19 0 "[ . 1 . 2]" 1
774 1 87 ILE HA 1 90 GLU HA . . 5.000 4.355 4.086 4.768 . 0 0 "[ . 1 . 2]" 1
775 1 91 GLU H 1 91 GLU QB . . 3.300 2.412 2.297 2.498 . 0 0 "[ . 1 . 2]" 1
776 1 91 GLU HA 1 93 VAL MG1 . . 5.000 4.715 4.532 4.982 . 0 0 "[ . 1 . 2]" 1
777 1 91 GLU QB 1 93 VAL MG1 . . 5.000 2.985 2.841 3.143 . 0 0 "[ . 1 . 2]" 1
778 1 91 GLU QB 1 102 ILE MG . . 3.300 2.449 2.051 2.713 . 0 0 "[ . 1 . 2]" 1
779 1 91 GLU QB 1 102 ILE MD . . 3.300 2.500 1.975 3.184 . 0 0 "[ . 1 . 2]" 1
780 1 91 GLU QG 1 102 ILE MG . . 3.300 2.488 2.018 2.942 . 0 0 "[ . 1 . 2]" 1
781 1 91 GLU QG 1 102 ILE MD . . 5.000 3.896 3.503 4.445 . 0 0 "[ . 1 . 2]" 1
782 1 93 VAL H 1 93 VAL MG1 . . 3.300 2.974 2.821 3.149 . 0 0 "[ . 1 . 2]" 1
783 1 93 VAL H 1 93 VAL MG2 . . 2.700 2.171 2.043 2.321 . 0 0 "[ . 1 . 2]" 1
784 1 93 VAL HA 1 93 VAL HB . . 2.700 2.458 2.424 2.508 . 0 0 "[ . 1 . 2]" 1
785 1 93 VAL HB 1 94 LYS H . . 3.300 2.746 1.932 3.136 . 0 0 "[ . 1 . 2]" 1
786 1 93 VAL HB 1 95 ASP H . . 3.300 3.238 3.026 3.348 0.048 14 0 "[ . 1 . 2]" 1
787 1 93 VAL MG2 1 95 ASP H . . 5.000 3.987 3.587 4.330 . 0 0 "[ . 1 . 2]" 1
788 1 93 VAL HB 1 99 ALA MB . . 5.000 2.834 2.396 3.215 . 0 0 "[ . 1 . 2]" 1
789 1 93 VAL HB 1 99 ALA H . . 3.300 3.291 3.077 3.351 0.051 14 0 "[ . 1 . 2]" 1
790 1 93 VAL HB 1 99 ALA HA . . 5.000 3.208 3.008 3.536 . 0 0 "[ . 1 . 2]" 1
791 1 93 VAL MG1 1 99 ALA HA . . 2.700 1.892 1.852 1.992 . 0 0 "[ . 1 . 2]" 1
792 1 93 VAL MG1 1 99 ALA MB . . 3.300 2.376 1.930 2.674 . 0 0 "[ . 1 . 2]" 1
793 1 93 VAL MG2 1 99 ALA MB . . 2.700 2.542 2.203 2.728 0.028 4 0 "[ . 1 . 2]" 1
794 1 93 VAL MG1 1 102 ILE MD . . 2.700 1.853 1.761 2.164 . 0 0 "[ . 1 . 2]" 1
795 1 95 ASP H 1 95 ASP HB3 . . 3.300 3.363 3.287 3.440 0.140 6 0 "[ . 1 . 2]" 1
796 1 95 ASP HA 1 95 ASP HB2 . . 2.700 2.482 2.427 2.538 . 0 0 "[ . 1 . 2]" 1
797 1 95 ASP HA 1 95 ASP HB3 . . 2.700 2.427 2.377 2.481 . 0 0 "[ . 1 . 2]" 1
798 1 95 ASP HB2 1 96 THR H . . 3.300 2.098 1.937 2.255 . 0 0 "[ . 1 . 2]" 1
799 1 95 ASP HB2 1 97 GLU H . . 3.300 3.250 3.068 3.336 0.036 20 0 "[ . 1 . 2]" 1
800 1 96 THR HB 1 97 GLU H . . 3.300 2.371 2.241 2.548 . 0 0 "[ . 1 . 2]" 1
801 1 99 ALA H 1 99 ALA MB . . 2.700 2.146 2.024 2.236 . 0 0 "[ . 1 . 2]" 1
802 1 100 LYS HA 1 100 LYS QB . . 2.700 2.512 2.446 2.540 . 0 0 "[ . 1 . 2]" 1
803 1 102 ILE H 1 102 ILE HB . . 2.700 2.471 2.401 2.517 . 0 0 "[ . 1 . 2]" 1
804 1 102 ILE H 1 102 ILE HG13 . . 2.700 2.232 2.152 2.396 . 0 0 "[ . 1 . 2]" 1
805 1 102 ILE HA 1 102 ILE HG12 . . 2.700 2.502 2.432 2.590 . 0 0 "[ . 1 . 2]" 1
806 1 102 ILE HB 1 102 ILE HG13 . . 2.700 2.483 2.443 2.523 . 0 0 "[ . 1 . 2]" 1
807 1 103 VAL HB 1 104 ARG H . . 3.300 2.200 2.107 2.408 . 0 0 "[ . 1 . 2]" 1
808 1 103 VAL MG1 1 104 ARG H . . 3.300 2.983 2.871 3.074 . 0 0 "[ . 1 . 2]" 1
809 1 103 VAL MG1 1 107 LEU MD1 . . 2.700 2.174 1.894 2.426 . 0 0 "[ . 1 . 2]" 1
810 1 103 VAL MG1 1 107 LEU QB . . 5.000 4.288 3.955 4.559 . 0 0 "[ . 1 . 2]" 1
811 1 104 ARG QG 1 108 VAL MG2 . . 3.300 2.147 1.882 3.056 . 0 0 "[ . 1 . 2]" 1
812 1 102 ILE MG 1 106 HIS HD2 . . 2.700 2.704 2.675 2.724 0.024 19 0 "[ . 1 . 2]" 1
813 1 106 HIS H 1 106 HIS HB2 . . 2.700 2.268 2.182 2.328 . 0 0 "[ . 1 . 2]" 1
814 1 106 HIS HA 1 106 HIS HB3 . . 2.700 2.606 2.561 2.674 . 0 0 "[ . 1 . 2]" 1
815 1 106 HIS HB2 1 106 HIS HD2 . . 3.300 2.708 2.689 2.765 . 0 0 "[ . 1 . 2]" 1
816 1 107 LEU HA 1 107 LEU MD2 . . 2.700 2.346 2.059 2.560 . 0 0 "[ . 1 . 2]" 1
817 1 107 LEU H 1 107 LEU HG . . 2.700 2.451 2.186 2.649 . 0 0 "[ . 1 . 2]" 1
818 1 111 THR HA 1 111 THR MG . . 2.700 2.204 2.001 2.395 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 127
_Distance_constraint_stats_list.Viol_total 1704.221
_Distance_constraint_stats_list.Viol_max 2.206
_Distance_constraint_stats_list.Viol_rms 0.6906
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2663
_Distance_constraint_stats_list.Viol_average_violations_only 0.6710
_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 11 LYS 0.071 0.011 16 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 TYR 0.053 0.036 19 0 "[ . 1 . 2]"
1 29 ARG 0.524 0.041 12 0 "[ . 1 . 2]"
1 32 HIS 0.524 0.041 12 0 "[ . 1 . 2]"
1 50 LEU 0.283 0.051 11 0 "[ . 1 . 2]"
1 52 SER 0.803 0.082 20 0 "[ . 1 . 2]"
1 55 GLY 0.803 0.082 20 0 "[ . 1 . 2]"
1 88 HIS 0.354 0.051 11 0 "[ . 1 . 2]"
1 91 GLU 83.424 2.206 13 20 [*-**********+*******]
1 95 ASP 0.054 0.017 5 0 "[ . 1 . 2]"
1 96 THR 0.053 0.036 19 0 "[ . 1 . 2]"
1 98 GLY 0.054 0.017 5 0 "[ . 1 . 2]"
1 106 HIS 83.424 2.206 13 20 [*-**********+*******]
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 20 LEU H 1 26 LYS O . . 2.000 1.808 1.777 1.849 . 0 0 "[ . 1 . 2]" 2
2 1 20 LEU N 1 26 LYS O . . 3.000 2.746 2.719 2.795 . 0 0 "[ . 1 . 2]" 2
3 1 28 TYR OH 1 96 THR HG1 . . 2.000 1.956 1.820 2.036 0.036 19 0 "[ . 1 . 2]" 2
4 1 28 TYR OH 1 96 THR OG1 . . 3.000 2.756 2.675 2.967 . 0 0 "[ . 1 . 2]" 2
5 1 29 ARG H 1 32 HIS ND1 . . 2.000 2.026 2.009 2.041 0.041 12 0 "[ . 1 . 2]" 2
6 1 29 ARG N 1 32 HIS ND1 . . 3.000 2.915 2.890 2.940 . 0 0 "[ . 1 . 2]" 2
7 1 52 SER OG 1 55 GLY H . . 2.000 2.036 1.944 2.082 0.082 20 0 "[ . 1 . 2]" 2
8 1 52 SER OG 1 55 GLY N . . 3.000 2.967 2.855 3.009 0.009 15 0 "[ . 1 . 2]" 2
9 1 11 LYS QZ 1 88 HIS ND1 . . 2.000 1.977 1.948 2.011 0.011 16 0 "[ . 1 . 2]" 2
10 1 11 LYS NZ 1 88 HIS ND1 . . 3.000 3.001 2.992 3.010 0.010 19 0 "[ . 1 . 2]" 2
11 1 50 LEU O 1 88 HIS HE2 . . 2.000 1.992 1.847 2.051 0.051 11 0 "[ . 1 . 2]" 2
12 1 50 LEU O 1 88 HIS NE2 . . 3.000 2.785 2.755 2.842 . 0 0 "[ . 1 . 2]" 2
13 1 91 GLU OE1 1 106 HIS HE2 . . 2.000 4.098 3.694 4.206 2.206 13 20 [*-**********+*******] 2
14 1 91 GLU OE1 1 106 HIS NE2 . . 3.000 5.073 4.675 5.190 2.190 15 20 [*-************+*****] 2
15 1 95 ASP OD1 1 98 GLY H . . 2.000 1.943 1.792 2.017 0.017 5 0 "[ . 1 . 2]" 2
16 1 95 ASP OD1 1 98 GLY N . . 3.000 2.799 2.727 2.893 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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