NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
389870 |
1ny4   |
5691 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ny4
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 850
_Distance_constraint_stats_list.Viol_count 316
_Distance_constraint_stats_list.Viol_total 236.769
_Distance_constraint_stats_list.Viol_max 0.283
_Distance_constraint_stats_list.Viol_rms 0.0194
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0749
_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 2 ALA 0.000 0.000 . 0 "[ . 1]"
1 3 GLU 1.340 0.186 8 0 "[ . 1]"
1 4 ASP 5.934 0.186 8 0 "[ . 1]"
1 5 GLU 8.083 0.209 8 0 "[ . 1]"
1 6 GLY 4.063 0.209 8 0 "[ . 1]"
1 7 TYR 0.199 0.053 7 0 "[ . 1]"
1 8 PRO 0.048 0.023 5 0 "[ . 1]"
1 9 ALA 0.067 0.029 8 0 "[ . 1]"
1 10 GLU 0.257 0.049 9 0 "[ . 1]"
1 11 VAL 0.000 0.000 . 0 "[ . 1]"
1 12 ILE 0.032 0.021 5 0 "[ . 1]"
1 13 GLU 3.916 0.248 10 0 "[ . 1]"
1 14 ILE 3.924 0.248 10 0 "[ . 1]"
1 15 ILE 0.008 0.008 1 0 "[ . 1]"
1 16 GLY 0.016 0.008 1 0 "[ . 1]"
1 17 ARG 0.000 0.000 . 0 "[ . 1]"
1 18 THR 0.019 0.011 5 0 "[ . 1]"
1 19 GLY 0.046 0.040 5 0 "[ . 1]"
1 20 THR 0.441 0.136 7 0 "[ . 1]"
1 21 THR 0.406 0.065 8 0 "[ . 1]"
1 22 GLY 0.028 0.014 10 0 "[ . 1]"
1 23 ASP 0.046 0.040 5 0 "[ . 1]"
1 24 VAL 0.225 0.136 7 0 "[ . 1]"
1 25 THR 0.100 0.040 10 0 "[ . 1]"
1 26 GLN 0.000 0.000 . 0 "[ . 1]"
1 27 VAL 0.004 0.004 4 0 "[ . 1]"
1 28 LYS 0.022 0.018 6 0 "[ . 1]"
1 29 VAL 0.000 0.000 . 0 "[ . 1]"
1 30 ARG 0.257 0.040 5 0 "[ . 1]"
1 31 ILE 0.416 0.040 5 0 "[ . 1]"
1 32 LEU 0.061 0.049 9 0 "[ . 1]"
1 33 GLU 0.252 0.032 7 0 "[ . 1]"
1 34 GLY 0.607 0.154 10 0 "[ . 1]"
1 35 ARG 0.075 0.027 1 0 "[ . 1]"
1 36 ASP 0.554 0.154 10 0 "[ . 1]"
1 37 LYS 0.436 0.176 3 0 "[ . 1]"
1 38 GLY 0.328 0.176 3 0 "[ . 1]"
1 39 ARG 0.089 0.041 5 0 "[ . 1]"
1 40 VAL 0.000 0.000 . 0 "[ . 1]"
1 41 ILE 0.000 0.000 . 0 "[ . 1]"
1 42 ARG 0.868 0.143 6 0 "[ . 1]"
1 43 ARG 0.886 0.143 6 0 "[ . 1]"
1 44 ASN 0.000 0.000 . 0 "[ . 1]"
1 45 VAL 0.100 0.040 10 0 "[ . 1]"
1 46 ARG 0.241 0.042 10 0 "[ . 1]"
1 47 GLY 0.241 0.042 10 0 "[ . 1]"
1 48 PRO 0.386 0.224 6 0 "[ . 1]"
1 49 VAL 0.386 0.224 6 0 "[ . 1]"
1 50 ARG 4.382 0.283 4 0 "[ . 1]"
1 51 VAL 4.382 0.283 4 0 "[ . 1]"
1 52 GLY 0.005 0.005 4 0 "[ . 1]"
1 53 ASP 0.000 0.000 . 0 "[ . 1]"
1 54 ILE 0.067 0.029 8 0 "[ . 1]"
1 55 LEU 0.001 0.001 9 0 "[ . 1]"
1 56 ILE 0.236 0.204 4 0 "[ . 1]"
1 57 LEU 0.280 0.204 4 0 "[ . 1]"
1 58 ARG 0.075 0.075 7 0 "[ . 1]"
1 59 GLU 0.235 0.068 2 0 "[ . 1]"
1 60 THR 0.425 0.166 8 0 "[ . 1]"
1 61 GLU 0.407 0.166 8 0 "[ . 1]"
1 62 ARG 0.013 0.008 3 0 "[ . 1]"
1 63 GLU 0.000 0.000 . 0 "[ . 1]"
1 64 ALA 0.000 0.000 . 0 "[ . 1]"
1 65 ARG 0.017 0.017 10 0 "[ . 1]"
1 66 GLU 0.083 0.045 9 0 "[ . 1]"
1 67 ILE 0.310 0.189 10 0 "[ . 1]"
1 68 LYS 0.000 0.000 . 0 "[ . 1]"
1 69 SER 0.227 0.189 10 0 "[ . 1]"
1 70 ARG 0.025 0.025 6 0 "[ . 1]"
1 71 ARG 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA MB 1 4 ASP H . . 6.000 4.901 4.599 5.096 . 0 0 "[ . 1]" 1
2 1 3 GLU HA 1 4 ASP H . . 3.000 2.313 2.202 3.173 0.173 9 0 "[ . 1]" 1
3 1 3 GLU HB2 1 4 ASP H . . 4.000 3.831 3.317 4.186 0.186 8 0 "[ . 1]" 1
4 1 3 GLU HB3 1 4 ASP H . . 4.000 3.798 1.835 4.178 0.178 8 0 "[ . 1]" 1
5 1 3 GLU QB 1 5 GLU H . . 5.000 3.598 2.196 4.184 . 0 0 "[ . 1]" 1
6 1 3 GLU QG 1 4 ASP H . . 6.000 3.994 2.475 4.686 . 0 0 "[ . 1]" 1
7 1 4 ASP H 1 4 ASP HB2 . . 4.000 2.715 2.622 2.779 . 0 0 "[ . 1]" 1
8 1 4 ASP H 1 4 ASP HB3 . . 4.000 3.451 3.382 3.493 . 0 0 "[ . 1]" 1
9 1 4 ASP H 1 5 GLU HA . . 4.000 4.074 3.930 4.168 0.168 9 0 "[ . 1]" 1
10 1 4 ASP HA 1 5 GLU H . . 3.000 3.127 3.101 3.164 0.164 7 0 "[ . 1]" 1
11 1 4 ASP HA 1 6 GLY H . . 5.000 4.089 3.002 5.068 0.068 9 0 "[ . 1]" 1
12 1 4 ASP HB2 1 5 GLU H . . 4.000 4.110 4.066 4.143 0.143 5 0 "[ . 1]" 1
13 1 4 ASP HB3 1 5 GLU H . . 4.000 4.116 4.070 4.145 0.145 5 0 "[ . 1]" 1
14 1 5 GLU H 1 6 GLY H . . 4.000 3.204 2.442 4.188 0.188 6 0 "[ . 1]" 1
15 1 5 GLU HA 1 6 GLY H . . 3.000 2.814 2.238 3.209 0.209 8 0 "[ . 1]" 1
16 1 5 GLU HB2 1 6 GLY H . . 4.000 4.112 4.057 4.197 0.197 6 0 "[ . 1]" 1
17 1 5 GLU HB3 1 6 GLY H . . 4.000 4.086 4.064 4.112 0.112 2 0 "[ . 1]" 1
18 1 5 GLU QG 1 6 GLY H . . 6.000 4.732 4.670 4.960 . 0 0 "[ . 1]" 1
19 1 6 GLY H 1 7 TYR H . . 4.000 3.870 2.959 4.053 0.053 7 0 "[ . 1]" 1
20 1 6 GLY H 1 8 PRO QD . . 6.000 4.298 2.927 5.175 . 0 0 "[ . 1]" 1
21 1 6 GLY H 1 56 ILE MG . . 6.000 3.286 1.974 4.157 . 0 0 "[ . 1]" 1
22 1 6 GLY H 1 56 ILE MD . . 6.000 3.757 2.694 4.883 . 0 0 "[ . 1]" 1
23 1 6 GLY HA3 1 7 TYR H . . 4.000 2.677 2.202 3.599 . 0 0 "[ . 1]" 1
24 1 6 GLY HA2 1 7 TYR H . . 4.000 2.871 2.199 3.592 . 0 0 "[ . 1]" 1
25 1 6 GLY HA3 1 56 ILE MG . . 6.000 2.382 1.950 3.052 . 0 0 "[ . 1]" 1
26 1 6 GLY HA2 1 56 ILE MG . . 6.000 3.392 2.270 4.094 . 0 0 "[ . 1]" 1
27 1 6 GLY HA3 1 56 ILE MD . . 6.000 3.653 3.033 4.499 . 0 0 "[ . 1]" 1
28 1 6 GLY HA2 1 56 ILE MD . . 6.000 4.708 3.901 4.935 . 0 0 "[ . 1]" 1
29 1 6 GLY QA 1 57 LEU H . . 6.000 4.488 3.366 5.268 . 0 0 "[ . 1]" 1
30 1 6 GLY QA 1 58 ARG HA . . 5.000 3.984 3.208 4.519 . 0 0 "[ . 1]" 1
31 1 7 TYR H 1 8 PRO HD2 . . 5.000 4.734 4.357 4.995 . 0 0 "[ . 1]" 1
32 1 7 TYR H 1 8 PRO HD3 . . 5.000 3.856 3.233 4.336 . 0 0 "[ . 1]" 1
33 1 7 TYR H 1 56 ILE HA . . 5.000 4.431 3.634 5.029 0.029 3 0 "[ . 1]" 1
34 1 7 TYR H 1 56 ILE MG . . 6.000 2.301 1.777 3.114 . 0 0 "[ . 1]" 1
35 1 7 TYR H 1 56 ILE MD . . 6.000 4.303 3.446 4.877 . 0 0 "[ . 1]" 1
36 1 7 TYR H 1 57 LEU H . . 5.000 3.385 2.905 3.762 . 0 0 "[ . 1]" 1
37 1 7 TYR H 1 58 ARG HA . . 5.000 4.040 3.066 4.657 . 0 0 "[ . 1]" 1
38 1 7 TYR HA 1 8 PRO QG . . 6.000 3.912 3.822 4.034 . 0 0 "[ . 1]" 1
39 1 7 TYR HA 1 8 PRO HD2 . . 5.000 2.222 2.187 2.254 . 0 0 "[ . 1]" 1
40 1 7 TYR HA 1 8 PRO HD3 . . 5.000 2.209 1.995 2.457 . 0 0 "[ . 1]" 1
41 1 7 TYR HA 1 34 GLY QA . . 5.000 4.199 3.760 4.512 . 0 0 "[ . 1]" 1
42 1 7 TYR QB 1 8 PRO HD2 . . 5.600 3.820 3.338 4.309 . 0 0 "[ . 1]" 1
43 1 7 TYR QB 1 8 PRO HD3 . . 5.600 4.127 3.872 4.247 . 0 0 "[ . 1]" 1
44 1 7 TYR QB 1 8 PRO QD . . 6.600 3.512 3.152 3.786 . 0 0 "[ . 1]" 1
45 1 7 TYR QB 1 31 ILE MG . . 7.000 3.304 2.273 4.590 . 0 0 "[ . 1]" 1
46 1 7 TYR QB 1 34 GLY QA . . 7.000 4.171 2.380 5.277 . 0 0 "[ . 1]" 1
47 1 7 TYR CG 1 8 PRO HD2 . . 7.200 4.888 4.477 5.175 . 0 0 "[ . 1]" 1
48 1 7 TYR CG 1 8 PRO HD3 . . 7.200 5.003 4.767 5.280 . 0 0 "[ . 1]" 1
49 1 7 TYR CG 1 31 ILE MG . . 8.200 4.404 3.608 4.872 . 0 0 "[ . 1]" 1
50 1 7 TYR CG 1 34 GLY QA . . 8.200 4.372 3.422 5.875 . 0 0 "[ . 1]" 1
51 1 7 TYR CZ 1 31 ILE MG . . 8.200 5.619 4.095 6.542 . 0 0 "[ . 1]" 1
52 1 7 TYR CZ 1 31 ILE MD . . 8.200 5.194 3.449 6.217 . 0 0 "[ . 1]" 1
53 1 7 TYR CZ 1 34 GLY QA . . 8.200 4.809 3.503 7.110 . 0 0 "[ . 1]" 1
54 1 7 TYR CZ 1 57 LEU QD . . 9.600 5.922 3.847 7.065 . 0 0 "[ . 1]" 1
55 1 8 PRO HA 1 9 ALA H . . 3.000 2.291 2.174 2.524 . 0 0 "[ . 1]" 1
56 1 8 PRO HA 1 54 ILE MG . . 6.000 3.711 3.030 4.320 . 0 0 "[ . 1]" 1
57 1 8 PRO HA 1 56 ILE HA . . 4.000 2.076 1.941 2.255 . 0 0 "[ . 1]" 1
58 1 8 PRO HA 1 56 ILE MG . . 6.000 2.815 2.504 3.634 . 0 0 "[ . 1]" 1
59 1 8 PRO HA 1 56 ILE MD . . 6.000 3.329 3.133 3.642 . 0 0 "[ . 1]" 1
60 1 8 PRO HB2 1 9 ALA H . . 5.000 3.130 2.501 3.551 . 0 0 "[ . 1]" 1
61 1 8 PRO HB3 1 9 ALA H . . 5.000 3.636 3.299 3.899 . 0 0 "[ . 1]" 1
62 1 8 PRO HB2 1 32 LEU QB . . 6.000 2.994 2.593 3.666 . 0 0 "[ . 1]" 1
63 1 8 PRO HB3 1 32 LEU QB . . 6.000 4.447 4.068 5.042 . 0 0 "[ . 1]" 1
64 1 8 PRO HB2 1 32 LEU QD . . 7.400 2.644 1.800 3.124 . 0 0 "[ . 1]" 1
65 1 8 PRO HB3 1 32 LEU QD . . 7.400 3.985 3.135 4.429 . 0 0 "[ . 1]" 1
66 1 8 PRO QB 1 32 LEU QD . . 8.400 2.605 1.789 3.062 . 0 0 "[ . 1]" 1
67 1 8 PRO HB2 1 54 ILE MG . . 6.000 2.734 2.128 3.820 . 0 0 "[ . 1]" 1
68 1 8 PRO HB3 1 54 ILE MG . . 6.000 3.010 2.514 3.618 . 0 0 "[ . 1]" 1
69 1 8 PRO QB 1 56 ILE HG12 . . 6.000 2.281 1.973 2.769 . 0 0 "[ . 1]" 1
70 1 8 PRO QB 1 56 ILE HG13 . . 6.000 3.737 3.302 4.262 . 0 0 "[ . 1]" 1
71 1 8 PRO HB2 1 56 ILE MG . . 6.000 4.537 4.433 4.737 . 0 0 "[ . 1]" 1
72 1 8 PRO HB3 1 56 ILE MG . . 6.000 3.359 3.300 3.461 . 0 0 "[ . 1]" 1
73 1 8 PRO HB2 1 56 ILE MD . . 6.000 3.926 3.269 4.398 . 0 0 "[ . 1]" 1
74 1 8 PRO HB3 1 56 ILE MD . . 6.000 2.440 2.029 2.930 . 0 0 "[ . 1]" 1
75 1 8 PRO QG 1 32 LEU H . . 6.000 3.968 3.609 4.302 . 0 0 "[ . 1]" 1
76 1 8 PRO HG2 1 32 LEU QB . . 6.000 2.592 2.094 3.033 . 0 0 "[ . 1]" 1
77 1 8 PRO HG3 1 32 LEU QB . . 6.000 4.101 3.623 4.504 . 0 0 "[ . 1]" 1
78 1 8 PRO QG 1 32 LEU QD . . 8.400 3.292 2.744 3.757 . 0 0 "[ . 1]" 1
79 1 8 PRO QG 1 33 GLU H . . 6.000 3.671 3.230 4.260 . 0 0 "[ . 1]" 1
80 1 8 PRO QG 1 54 ILE MG . . 7.000 3.991 3.248 4.864 . 0 0 "[ . 1]" 1
81 1 8 PRO HG2 1 56 ILE MG . . 6.000 4.742 4.639 4.849 . 0 0 "[ . 1]" 1
82 1 8 PRO HG3 1 56 ILE MG . . 6.000 3.857 3.578 4.007 . 0 0 "[ . 1]" 1
83 1 8 PRO HG2 1 56 ILE MD . . 6.000 4.246 3.220 4.592 . 0 0 "[ . 1]" 1
84 1 8 PRO HG3 1 56 ILE MD . . 6.000 2.930 1.847 3.342 . 0 0 "[ . 1]" 1
85 1 8 PRO QD 1 31 ILE MG . . 7.000 3.707 3.436 4.031 . 0 0 "[ . 1]" 1
86 1 8 PRO QD 1 32 LEU H . . 6.000 4.110 3.666 4.662 . 0 0 "[ . 1]" 1
87 1 8 PRO HD2 1 33 GLU H . . 5.000 3.267 3.014 3.365 . 0 0 "[ . 1]" 1
88 1 8 PRO HD3 1 33 GLU H . . 5.000 4.971 4.726 5.023 0.023 5 0 "[ . 1]" 1
89 1 8 PRO QD 1 33 GLU HB2 . . 6.000 4.458 3.666 5.242 . 0 0 "[ . 1]" 1
90 1 8 PRO QD 1 33 GLU HB3 . . 6.000 4.234 3.433 5.226 . 0 0 "[ . 1]" 1
91 1 8 PRO HD2 1 56 ILE MG . . 6.000 4.083 3.945 4.604 . 0 0 "[ . 1]" 1
92 1 8 PRO HD3 1 56 ILE MG . . 6.000 2.950 2.804 3.175 . 0 0 "[ . 1]" 1
93 1 8 PRO HD2 1 56 ILE MD . . 6.000 4.473 3.825 4.769 . 0 0 "[ . 1]" 1
94 1 8 PRO HD3 1 56 ILE MD . . 6.000 3.200 2.665 3.555 . 0 0 "[ . 1]" 1
95 1 9 ALA H 1 10 GLU H . . 5.000 4.316 4.197 4.435 . 0 0 "[ . 1]" 1
96 1 9 ALA H 1 32 LEU H . . 5.000 4.736 4.365 4.998 . 0 0 "[ . 1]" 1
97 1 9 ALA H 1 54 ILE HA . . 4.000 3.964 3.843 4.029 0.029 8 0 "[ . 1]" 1
98 1 9 ALA H 1 54 ILE MG . . 6.000 2.997 2.711 3.929 . 0 0 "[ . 1]" 1
99 1 9 ALA H 1 56 ILE HA . . 5.000 3.311 2.963 3.746 . 0 0 "[ . 1]" 1
100 1 9 ALA HA 1 10 GLU H . . 4.000 2.239 2.193 2.325 . 0 0 "[ . 1]" 1
101 1 9 ALA HA 1 29 VAL HB . . 5.000 4.037 3.710 4.404 . 0 0 "[ . 1]" 1
102 1 9 ALA HA 1 30 ARG H . . 5.000 4.301 4.047 4.473 . 0 0 "[ . 1]" 1
103 1 9 ALA HA 1 31 ILE HA . . 4.000 2.587 2.410 2.789 . 0 0 "[ . 1]" 1
104 1 9 ALA HA 1 31 ILE QG . . 6.000 4.174 3.886 4.609 . 0 0 "[ . 1]" 1
105 1 9 ALA HA 1 31 ILE MG . . 6.000 4.338 4.141 4.525 . 0 0 "[ . 1]" 1
106 1 9 ALA HA 1 32 LEU H . . 4.000 2.719 2.330 3.070 . 0 0 "[ . 1]" 1
107 1 9 ALA HA 1 32 LEU QB . . 6.000 3.783 3.306 4.171 . 0 0 "[ . 1]" 1
108 1 9 ALA HA 1 32 LEU HG . . 5.000 4.005 3.017 4.990 . 0 0 "[ . 1]" 1
109 1 9 ALA HA 1 32 LEU MD1 . . 6.000 3.713 2.335 4.880 . 0 0 "[ . 1]" 1
110 1 9 ALA HA 1 32 LEU QD . . 7.400 3.136 2.238 4.454 . 0 0 "[ . 1]" 1
111 1 9 ALA MB 1 10 GLU H . . 6.000 3.080 2.791 3.265 . 0 0 "[ . 1]" 1
112 1 9 ALA MB 1 29 VAL HA . . 6.000 4.133 3.656 4.779 . 0 0 "[ . 1]" 1
113 1 9 ALA MB 1 29 VAL HB . . 5.000 2.298 1.887 2.879 . 0 0 "[ . 1]" 1
114 1 9 ALA MB 1 29 VAL MG1 . . 7.000 3.254 3.101 3.527 . 0 0 "[ . 1]" 1
115 1 9 ALA MB 1 29 VAL QG . . 8.400 1.871 1.735 2.062 . 0 0 "[ . 1]" 1
116 1 9 ALA MB 1 30 ARG H . . 6.000 3.623 3.313 3.993 . 0 0 "[ . 1]" 1
117 1 9 ALA MB 1 31 ILE H . . 6.000 4.321 3.942 4.751 . 0 0 "[ . 1]" 1
118 1 9 ALA MB 1 31 ILE HA . . 6.000 3.121 2.726 3.414 . 0 0 "[ . 1]" 1
119 1 9 ALA MB 1 31 ILE QG . . 7.000 3.319 2.897 3.775 . 0 0 "[ . 1]" 1
120 1 9 ALA MB 1 31 ILE MD . . 7.000 4.203 2.740 4.678 . 0 0 "[ . 1]" 1
121 1 9 ALA MB 1 32 LEU H . . 6.000 4.091 3.725 4.380 . 0 0 "[ . 1]" 1
122 1 9 ALA MB 1 55 LEU H . . 6.000 3.423 3.186 3.674 . 0 0 "[ . 1]" 1
123 1 9 ALA MB 1 57 LEU QD . . 8.400 3.115 2.054 4.827 . 0 0 "[ . 1]" 1
124 1 10 GLU H 1 11 VAL H . . 5.000 4.470 4.386 4.569 . 0 0 "[ . 1]" 1
125 1 10 GLU H 1 29 VAL HB . . 5.000 3.466 3.216 3.692 . 0 0 "[ . 1]" 1
126 1 10 GLU H 1 30 ARG H . . 4.000 2.838 2.621 3.206 . 0 0 "[ . 1]" 1
127 1 10 GLU H 1 31 ILE HA . . 4.000 4.007 3.975 4.035 0.035 5 0 "[ . 1]" 1
128 1 10 GLU H 1 32 LEU H . . 4.000 3.871 3.239 4.049 0.049 9 0 "[ . 1]" 1
129 1 10 GLU H 1 32 LEU QB . . 6.000 4.393 3.656 4.749 . 0 0 "[ . 1]" 1
130 1 10 GLU H 1 32 LEU HG . . 5.000 3.395 2.464 4.503 . 0 0 "[ . 1]" 1
131 1 10 GLU H 1 32 LEU MD1 . . 6.000 3.367 2.580 4.243 . 0 0 "[ . 1]" 1
132 1 10 GLU H 1 32 LEU MD2 . . 6.000 3.876 1.801 4.987 . 0 0 "[ . 1]" 1
133 1 10 GLU HA 1 11 VAL H . . 3.000 2.248 2.215 2.307 . 0 0 "[ . 1]" 1
134 1 10 GLU HA 1 30 ARG H . . 5.000 4.538 4.419 4.721 . 0 0 "[ . 1]" 1
135 1 10 GLU HA 1 54 ILE HA . . 4.000 2.452 2.306 2.709 . 0 0 "[ . 1]" 1
136 1 10 GLU HA 1 54 ILE MD . . 6.000 3.197 1.954 4.666 . 0 0 "[ . 1]" 1
137 1 10 GLU QB 1 11 VAL H . . 5.600 3.729 3.583 3.830 . 0 0 "[ . 1]" 1
138 1 10 GLU HB2 1 30 ARG H . . 5.000 4.990 4.914 5.024 0.024 5 0 "[ . 1]" 1
139 1 10 GLU HB3 1 30 ARG H . . 5.000 3.846 3.698 4.026 . 0 0 "[ . 1]" 1
140 1 10 GLU QB 1 32 LEU QD . . 8.400 1.895 1.647 2.139 . 0 0 "[ . 1]" 1
141 1 10 GLU QB 1 32 LEU MD2 . . 7.000 2.539 1.668 3.451 . 0 0 "[ . 1]" 1
142 1 10 GLU QB 1 54 ILE MG . . 7.000 3.967 3.469 4.959 . 0 0 "[ . 1]" 1
143 1 10 GLU QB 1 54 ILE MD . . 7.000 2.695 1.783 4.010 . 0 0 "[ . 1]" 1
144 1 10 GLU HG2 1 11 VAL H . . 5.000 2.520 2.201 3.116 . 0 0 "[ . 1]" 1
145 1 10 GLU HG3 1 11 VAL H . . 5.000 3.643 2.695 4.213 . 0 0 "[ . 1]" 1
146 1 10 GLU QG 1 32 LEU MD1 . . 7.000 3.366 2.824 4.057 . 0 0 "[ . 1]" 1
147 1 10 GLU QG 1 32 LEU QD . . 8.400 3.084 2.729 3.484 . 0 0 "[ . 1]" 1
148 1 10 GLU HG2 1 52 GLY H . . 5.000 3.245 2.982 3.438 . 0 0 "[ . 1]" 1
149 1 10 GLU HG3 1 52 GLY H . . 5.000 4.348 3.179 4.822 . 0 0 "[ . 1]" 1
150 1 10 GLU HG2 1 52 GLY QA . . 6.000 2.831 2.481 3.246 . 0 0 "[ . 1]" 1
151 1 10 GLU HG3 1 52 GLY QA . . 6.000 3.049 2.500 3.415 . 0 0 "[ . 1]" 1
152 1 10 GLU HG2 1 54 ILE MD . . 6.000 3.594 1.967 4.384 . 0 0 "[ . 1]" 1
153 1 10 GLU HG3 1 54 ILE MD . . 6.000 2.439 1.844 3.193 . 0 0 "[ . 1]" 1
154 1 11 VAL H 1 11 VAL HB . . 4.000 2.353 2.257 2.423 . 0 0 "[ . 1]" 1
155 1 11 VAL H 1 12 ILE H . . 5.000 4.579 4.528 4.616 . 0 0 "[ . 1]" 1
156 1 11 VAL H 1 51 VAL HA . . 5.000 4.712 4.494 4.864 . 0 0 "[ . 1]" 1
157 1 11 VAL H 1 52 GLY H . . 4.000 3.386 3.178 3.589 . 0 0 "[ . 1]" 1
158 1 11 VAL H 1 53 ASP H . . 4.000 3.814 3.437 3.989 . 0 0 "[ . 1]" 1
159 1 11 VAL H 1 54 ILE HA . . 4.000 3.773 3.595 3.948 . 0 0 "[ . 1]" 1
160 1 11 VAL HA 1 12 ILE H . . 3.000 2.201 2.184 2.223 . 0 0 "[ . 1]" 1
161 1 11 VAL HA 1 13 GLU H . . 4.000 3.755 3.664 3.840 . 0 0 "[ . 1]" 1
162 1 11 VAL HA 1 29 VAL HA . . 4.000 2.157 1.998 2.295 . 0 0 "[ . 1]" 1
163 1 11 VAL HA 1 29 VAL HB . . 5.000 3.308 2.763 3.724 . 0 0 "[ . 1]" 1
164 1 11 VAL HA 1 29 VAL QG . . 7.400 2.073 1.824 2.788 . 0 0 "[ . 1]" 1
165 1 11 VAL HA 1 30 ARG H . . 5.000 3.770 3.622 3.920 . 0 0 "[ . 1]" 1
166 1 11 VAL HA 1 52 GLY H . . 5.000 4.706 4.557 4.892 . 0 0 "[ . 1]" 1
167 1 11 VAL HB 1 12 ILE H . . 5.000 4.322 4.233 4.405 . 0 0 "[ . 1]" 1
168 1 11 VAL HB 1 29 VAL QG . . 7.400 3.884 3.601 4.603 . 0 0 "[ . 1]" 1
169 1 11 VAL HB 1 51 VAL HA . . 4.000 2.591 2.410 2.789 . 0 0 "[ . 1]" 1
170 1 11 VAL HB 1 51 VAL QG . . 7.400 3.664 3.398 3.837 . 0 0 "[ . 1]" 1
171 1 11 VAL HB 1 52 GLY H . . 4.000 2.289 2.031 2.575 . 0 0 "[ . 1]" 1
172 1 11 VAL HB 1 53 ASP H . . 4.000 2.851 2.516 3.111 . 0 0 "[ . 1]" 1
173 1 11 VAL QG 1 12 ILE H . . 7.400 2.616 2.370 2.736 . 0 0 "[ . 1]" 1
174 1 11 VAL QG 1 12 ILE HA . . 7.400 3.698 3.577 3.841 . 0 0 "[ . 1]" 1
175 1 11 VAL QG 1 13 GLU H . . 7.400 2.616 2.373 2.752 . 0 0 "[ . 1]" 1
176 1 11 VAL QG 1 14 ILE HA . . 7.400 3.588 3.297 3.744 . 0 0 "[ . 1]" 1
177 1 11 VAL QG 1 14 ILE QG . . 8.400 2.573 2.312 3.396 . 0 0 "[ . 1]" 1
178 1 11 VAL QG 1 27 VAL HA . . 7.400 4.309 4.157 4.531 . 0 0 "[ . 1]" 1
179 1 11 VAL QG 1 27 VAL HB . . 7.400 2.836 2.202 3.801 . 0 0 "[ . 1]" 1
180 1 11 VAL QG 1 27 VAL QG . . 9.800 2.083 1.681 2.590 . 0 0 "[ . 1]" 1
181 1 11 VAL QG 1 28 LYS H . . 7.400 3.530 3.363 3.738 . 0 0 "[ . 1]" 1
182 1 11 VAL QG 1 51 VAL H . . 7.400 3.667 3.511 3.862 . 0 0 "[ . 1]" 1
183 1 11 VAL QG 1 51 VAL HA . . 7.400 2.206 1.966 2.590 . 0 0 "[ . 1]" 1
184 1 11 VAL QG 1 51 VAL HB . . 7.400 4.172 3.231 4.825 . 0 0 "[ . 1]" 1
185 1 11 VAL MG1 1 52 GLY H . . 6.000 3.318 3.134 3.492 . 0 0 "[ . 1]" 1
186 1 11 VAL QG 1 14 ILE MD . . 8.400 2.863 1.800 3.560 . 0 0 "[ . 1]" 1
187 1 11 VAL QG 1 29 VAL HA . . 7.400 3.461 3.352 3.598 . 0 0 "[ . 1]" 1
188 1 11 VAL QG 1 29 VAL QG . . 9.800 1.875 1.722 2.374 . 0 0 "[ . 1]" 1
189 1 11 VAL MG2 1 52 GLY H . . 6.000 3.889 3.669 4.185 . 0 0 "[ . 1]" 1
190 1 11 VAL QG 1 52 GLY HA3 . . 7.400 5.024 4.868 5.109 . 0 0 "[ . 1]" 1
191 1 11 VAL QG 1 52 GLY HA2 . . 7.400 4.726 4.563 4.850 . 0 0 "[ . 1]" 1
192 1 11 VAL QG 1 53 ASP HB2 . . 7.400 2.670 2.013 3.273 . 0 0 "[ . 1]" 1
193 1 11 VAL QG 1 53 ASP HB3 . . 7.400 1.929 1.779 2.250 . 0 0 "[ . 1]" 1
194 1 11 VAL QG 1 55 LEU QD . . 9.800 3.883 2.905 4.701 . 0 0 "[ . 1]" 1
195 1 12 ILE H 1 12 ILE HG12 . . 5.000 2.588 1.981 3.160 . 0 0 "[ . 1]" 1
196 1 12 ILE H 1 12 ILE HG13 . . 5.000 2.401 1.943 3.895 . 0 0 "[ . 1]" 1
197 1 12 ILE H 1 13 GLU H . . 3.000 2.004 1.891 2.193 . 0 0 "[ . 1]" 1
198 1 12 ILE H 1 28 LYS QB . . 6.000 3.747 3.637 3.962 . 0 0 "[ . 1]" 1
199 1 12 ILE H 1 29 VAL HA . . 4.000 2.521 2.073 2.887 . 0 0 "[ . 1]" 1
200 1 12 ILE H 1 29 VAL QG . . 7.400 3.461 3.138 3.917 . 0 0 "[ . 1]" 1
201 1 12 ILE H 1 30 ARG H . . 4.000 3.915 3.687 4.021 0.021 5 0 "[ . 1]" 1
202 1 12 ILE HA 1 13 GLU H . . 4.000 3.572 3.551 3.595 . 0 0 "[ . 1]" 1
203 1 12 ILE HA 1 51 VAL QG . . 7.400 3.358 2.879 3.893 . 0 0 "[ . 1]" 1
204 1 12 ILE HA 1 52 GLY H . . 5.000 4.799 4.366 5.005 0.005 4 0 "[ . 1]" 1
205 1 12 ILE HB 1 13 GLU H . . 5.000 3.885 3.675 4.121 . 0 0 "[ . 1]" 1
206 1 12 ILE HB 1 13 GLU QB . . 4.600 3.865 3.653 4.151 . 0 0 "[ . 1]" 1
207 1 12 ILE HG12 1 13 GLU H . . 5.000 3.282 2.564 3.781 . 0 0 "[ . 1]" 1
208 1 12 ILE HG13 1 13 GLU H . . 5.000 2.217 1.940 4.015 . 0 0 "[ . 1]" 1
209 1 12 ILE HG12 1 13 GLU QB . . 5.600 4.267 2.439 4.829 . 0 0 "[ . 1]" 1
210 1 12 ILE HG13 1 13 GLU QB . . 5.600 3.145 2.739 3.798 . 0 0 "[ . 1]" 1
211 1 12 ILE QG 1 28 LYS QB . . 7.000 2.453 1.969 3.114 . 0 0 "[ . 1]" 1
212 1 12 ILE QG 1 28 LYS QD . . 7.000 3.905 3.517 4.145 . 0 0 "[ . 1]" 1
213 1 12 ILE QG 1 29 VAL HA . . 6.000 3.001 2.321 4.730 . 0 0 "[ . 1]" 1
214 1 12 ILE QG 1 30 ARG H . . 6.000 3.599 3.085 4.792 . 0 0 "[ . 1]" 1
215 1 12 ILE QG 1 40 VAL HA . . 6.000 4.311 3.633 4.927 . 0 0 "[ . 1]" 1
216 1 12 ILE MG 1 13 GLU H . . 6.000 4.048 3.830 4.180 . 0 0 "[ . 1]" 1
217 1 12 ILE MG 1 29 VAL HA . . 6.000 3.076 2.520 3.484 . 0 0 "[ . 1]" 1
218 1 12 ILE MG 1 30 ARG H . . 6.000 2.379 1.990 2.744 . 0 0 "[ . 1]" 1
219 1 12 ILE MG 1 30 ARG HB2 . . 6.000 2.158 1.814 3.460 . 0 0 "[ . 1]" 1
220 1 12 ILE MG 1 30 ARG HB3 . . 6.000 2.175 2.028 2.413 . 0 0 "[ . 1]" 1
221 1 12 ILE MG 1 30 ARG QD . . 7.000 2.718 2.434 3.142 . 0 0 "[ . 1]" 1
222 1 12 ILE MG 1 40 VAL HA . . 6.000 4.300 4.043 4.733 . 0 0 "[ . 1]" 1
223 1 12 ILE MD 1 13 GLU H . . 6.000 3.356 1.997 3.887 . 0 0 "[ . 1]" 1
224 1 12 ILE MD 1 13 GLU QB . . 6.600 2.925 2.104 3.623 . 0 0 "[ . 1]" 1
225 1 12 ILE MD 1 28 LYS QB . . 7.000 2.320 1.757 2.583 . 0 0 "[ . 1]" 1
226 1 12 ILE MD 1 28 LYS QD . . 7.000 2.866 2.281 3.203 . 0 0 "[ . 1]" 1
227 1 12 ILE MD 1 29 VAL HA . . 6.000 4.197 2.432 4.828 . 0 0 "[ . 1]" 1
228 1 12 ILE MD 1 30 ARG H . . 6.000 4.463 2.868 5.051 . 0 0 "[ . 1]" 1
229 1 12 ILE MD 1 30 ARG QB . . 7.000 3.183 2.555 3.969 . 0 0 "[ . 1]" 1
230 1 12 ILE MD 1 30 ARG QD . . 7.000 4.112 3.429 4.764 . 0 0 "[ . 1]" 1
231 1 12 ILE MD 1 40 VAL HA . . 6.000 3.916 3.206 4.546 . 0 0 "[ . 1]" 1
232 1 12 ILE MD 1 40 VAL HB . . 6.000 3.018 2.073 4.003 . 0 0 "[ . 1]" 1
233 1 13 GLU H 1 14 ILE H . . 4.000 4.243 4.240 4.248 0.248 10 0 "[ . 1]" 1
234 1 13 GLU H 1 14 ILE HA . . 5.000 4.460 4.454 4.490 . 0 0 "[ . 1]" 1
235 1 13 GLU H 1 28 LYS H . . 4.000 3.442 3.368 3.586 . 0 0 "[ . 1]" 1
236 1 13 GLU H 1 28 LYS QB . . 6.000 3.093 2.937 3.294 . 0 0 "[ . 1]" 1
237 1 13 GLU H 1 29 VAL HA . . 5.000 4.224 3.965 4.470 . 0 0 "[ . 1]" 1
238 1 13 GLU H 1 51 VAL QG . . 7.400 4.347 3.932 5.011 . 0 0 "[ . 1]" 1
239 1 13 GLU HA 1 14 ILE H . . 3.000 2.308 2.305 2.312 . 0 0 "[ . 1]" 1
240 1 13 GLU HA 1 14 ILE HB . . 5.000 4.651 4.493 4.879 . 0 0 "[ . 1]" 1
241 1 13 GLU HA 1 51 VAL QG . . 7.400 3.305 2.614 4.423 . 0 0 "[ . 1]" 1
242 1 13 GLU HB2 1 14 ILE H . . 4.000 4.071 4.058 4.079 0.079 5 0 "[ . 1]" 1
243 1 13 GLU HB3 1 14 ILE H . . 4.000 4.078 4.066 4.091 0.091 7 0 "[ . 1]" 1
244 1 13 GLU QB 1 28 LYS H . . 6.000 4.324 4.113 4.578 . 0 0 "[ . 1]" 1
245 1 13 GLU HG2 1 14 ILE H . . 5.000 2.952 2.354 3.996 . 0 0 "[ . 1]" 1
246 1 13 GLU HG3 1 14 ILE H . . 5.000 2.427 2.062 2.877 . 0 0 "[ . 1]" 1
247 1 13 GLU QG 1 14 ILE HA . . 6.000 3.903 3.799 4.005 . 0 0 "[ . 1]" 1
248 1 14 ILE H 1 14 ILE HB . . 4.000 2.447 2.326 2.585 . 0 0 "[ . 1]" 1
249 1 14 ILE H 1 14 ILE HG12 . . 5.000 3.540 1.948 4.177 . 0 0 "[ . 1]" 1
250 1 14 ILE H 1 14 ILE HG13 . . 5.000 2.759 2.326 3.696 . 0 0 "[ . 1]" 1
251 1 14 ILE H 1 15 ILE H . . 5.000 4.539 4.422 4.625 . 0 0 "[ . 1]" 1
252 1 14 ILE HA 1 15 ILE H . . 3.000 2.234 2.177 2.316 . 0 0 "[ . 1]" 1
253 1 14 ILE HA 1 16 GLY H . . 5.000 4.699 4.294 5.008 0.008 3 0 "[ . 1]" 1
254 1 14 ILE HA 1 27 VAL HA . . 4.000 2.605 2.218 3.113 . 0 0 "[ . 1]" 1
255 1 14 ILE HA 1 27 VAL HB . . 5.000 2.944 2.486 4.263 . 0 0 "[ . 1]" 1
256 1 14 ILE HA 1 27 VAL QG . . 7.400 2.384 1.888 3.204 . 0 0 "[ . 1]" 1
257 1 14 ILE HA 1 28 LYS H . . 5.000 2.962 2.658 3.332 . 0 0 "[ . 1]" 1
258 1 14 ILE HA 1 49 VAL QG . . 7.400 3.916 3.278 4.805 . 0 0 "[ . 1]" 1
259 1 14 ILE QG 1 15 ILE H . . 6.000 4.269 3.992 4.703 . 0 0 "[ . 1]" 1
260 1 14 ILE HG12 1 27 VAL QG . . 7.400 2.487 1.898 4.333 . 0 0 "[ . 1]" 1
261 1 14 ILE HG13 1 27 VAL QG . . 7.400 3.297 2.582 4.301 . 0 0 "[ . 1]" 1
262 1 14 ILE HG12 1 49 VAL QG . . 7.400 2.459 1.844 4.230 . 0 0 "[ . 1]" 1
263 1 14 ILE HG13 1 49 VAL QG . . 7.400 3.129 2.347 3.704 . 0 0 "[ . 1]" 1
264 1 14 ILE QG 1 50 ARG HA . . 6.000 4.099 3.271 4.653 . 0 0 "[ . 1]" 1
265 1 14 ILE QG 1 51 VAL H . . 6.000 4.153 3.411 4.747 . 0 0 "[ . 1]" 1
266 1 14 ILE HG12 1 51 VAL QG . . 7.400 4.363 2.604 5.442 . 0 0 "[ . 1]" 1
267 1 14 ILE HG13 1 51 VAL QG . . 7.400 3.725 2.564 4.613 . 0 0 "[ . 1]" 1
268 1 14 ILE MG 1 15 ILE H . . 6.000 2.327 2.026 2.756 . 0 0 "[ . 1]" 1
269 1 14 ILE MG 1 15 ILE HA . . 6.000 4.062 3.955 4.177 . 0 0 "[ . 1]" 1
270 1 14 ILE MG 1 16 GLY H . . 6.000 3.037 2.571 3.464 . 0 0 "[ . 1]" 1
271 1 14 ILE MG 1 16 GLY HA3 . . 6.000 4.427 4.143 4.699 . 0 0 "[ . 1]" 1
272 1 14 ILE MG 1 16 GLY HA2 . . 6.000 3.227 2.944 3.535 . 0 0 "[ . 1]" 1
273 1 14 ILE MG 1 25 THR MG . . 7.000 3.122 2.810 3.514 . 0 0 "[ . 1]" 1
274 1 14 ILE MD 1 25 THR MG . . 7.000 4.578 4.004 4.881 . 0 0 "[ . 1]" 1
275 1 14 ILE MD 1 27 VAL QG . . 8.400 3.072 1.847 3.517 . 0 0 "[ . 1]" 1
276 1 14 ILE MD 1 49 VAL QG . . 8.400 2.088 1.663 2.624 . 0 0 "[ . 1]" 1
277 1 14 ILE MD 1 51 VAL H . . 6.000 3.003 2.396 4.207 . 0 0 "[ . 1]" 1
278 1 14 ILE MD 1 51 VAL HA . . 6.000 3.893 2.953 4.316 . 0 0 "[ . 1]" 1
279 1 14 ILE MD 1 51 VAL QG . . 8.400 2.978 2.273 3.744 . 0 0 "[ . 1]" 1
280 1 15 ILE H 1 15 ILE HB . . 4.000 2.379 2.277 2.467 . 0 0 "[ . 1]" 1
281 1 15 ILE H 1 15 ILE HG12 . . 5.000 3.816 3.379 4.099 . 0 0 "[ . 1]" 1
282 1 15 ILE H 1 15 ILE HG13 . . 5.000 2.522 2.016 3.318 . 0 0 "[ . 1]" 1
283 1 15 ILE H 1 16 GLY H . . 3.000 2.741 2.592 2.924 . 0 0 "[ . 1]" 1
284 1 15 ILE H 1 16 GLY QA . . 5.600 4.360 4.193 4.560 . 0 0 "[ . 1]" 1
285 1 15 ILE H 1 27 VAL HA . . 4.000 2.123 1.954 2.433 . 0 0 "[ . 1]" 1
286 1 15 ILE H 1 27 VAL HB . . 5.000 3.860 2.917 4.689 . 0 0 "[ . 1]" 1
287 1 15 ILE H 1 27 VAL QG . . 7.400 2.848 1.988 3.417 . 0 0 "[ . 1]" 1
288 1 15 ILE H 1 28 LYS H . . 4.000 3.587 3.139 3.846 . 0 0 "[ . 1]" 1
289 1 15 ILE H 1 28 LYS QB . . 6.000 4.752 4.340 5.074 . 0 0 "[ . 1]" 1
290 1 15 ILE HA 1 16 GLY H . . 4.000 3.630 3.609 3.640 . 0 0 "[ . 1]" 1
291 1 15 ILE HB 1 16 GLY H . . 4.000 2.182 1.968 2.333 . 0 0 "[ . 1]" 1
292 1 15 ILE HB 1 26 GLN QB . . 6.000 2.641 2.041 3.239 . 0 0 "[ . 1]" 1
293 1 15 ILE HB 1 27 VAL QG . . 7.400 4.068 3.395 4.719 . 0 0 "[ . 1]" 1
294 1 15 ILE HG12 1 16 GLY H . . 5.000 4.869 4.734 5.008 0.008 1 0 "[ . 1]" 1
295 1 15 ILE HG13 1 16 GLY H . . 5.000 4.361 4.174 4.692 . 0 0 "[ . 1]" 1
296 1 15 ILE QG 1 27 VAL HA . . 6.000 2.954 2.108 3.959 . 0 0 "[ . 1]" 1
297 1 15 ILE HG12 1 28 LYS H . . 5.000 4.642 3.798 5.000 0.000 9 0 "[ . 1]" 1
298 1 15 ILE HG13 1 28 LYS H . . 5.000 3.207 2.295 4.259 . 0 0 "[ . 1]" 1
299 1 15 ILE QG 1 28 LYS QB . . 7.000 3.175 2.863 3.422 . 0 0 "[ . 1]" 1
300 1 15 ILE QG 1 28 LYS QG . . 7.000 2.863 2.317 3.547 . 0 0 "[ . 1]" 1
301 1 15 ILE QG 1 28 LYS QD . . 7.000 3.511 2.349 4.364 . 0 0 "[ . 1]" 1
302 1 15 ILE QG 1 28 LYS HE2 . . 6.000 3.545 2.119 4.993 . 0 0 "[ . 1]" 1
303 1 15 ILE QG 1 28 LYS HE3 . . 6.000 3.422 1.996 4.331 . 0 0 "[ . 1]" 1
304 1 15 ILE MG 1 16 GLY H . . 6.000 2.860 2.392 3.222 . 0 0 "[ . 1]" 1
305 1 15 ILE MG 1 26 GLN QB . . 7.000 3.040 2.036 3.455 . 0 0 "[ . 1]" 1
306 1 15 ILE MD 1 26 GLN HA . . 6.000 4.114 3.737 4.552 . 0 0 "[ . 1]" 1
307 1 15 ILE MD 1 26 GLN QB . . 7.000 2.353 1.975 2.882 . 0 0 "[ . 1]" 1
308 1 15 ILE MD 1 26 GLN QG . . 7.000 3.617 2.309 4.627 . 0 0 "[ . 1]" 1
309 1 15 ILE MD 1 27 VAL HA . . 6.000 2.594 1.872 3.291 . 0 0 "[ . 1]" 1
310 1 15 ILE MD 1 28 LYS H . . 6.000 3.011 2.074 3.655 . 0 0 "[ . 1]" 1
311 1 15 ILE MD 1 28 LYS HA . . 6.000 3.287 3.006 3.852 . 0 0 "[ . 1]" 1
312 1 15 ILE MD 1 28 LYS QB . . 7.000 3.212 2.356 3.696 . 0 0 "[ . 1]" 1
313 1 15 ILE MD 1 28 LYS HG2 . . 6.000 3.321 3.011 3.611 . 0 0 "[ . 1]" 1
314 1 15 ILE MD 1 28 LYS HG3 . . 6.000 2.040 1.874 2.258 . 0 0 "[ . 1]" 1
315 1 15 ILE MD 1 28 LYS QD . . 7.000 3.476 2.851 4.086 . 0 0 "[ . 1]" 1
316 1 15 ILE MD 1 28 LYS HE2 . . 6.000 3.432 2.028 4.377 . 0 0 "[ . 1]" 1
317 1 15 ILE MD 1 28 LYS HE3 . . 6.000 3.540 2.660 4.476 . 0 0 "[ . 1]" 1
318 1 15 ILE MD 1 42 ARG QB . . 7.000 2.644 2.085 3.323 . 0 0 "[ . 1]" 1
319 1 15 ILE MD 1 42 ARG HG2 . . 6.000 3.651 2.684 4.879 . 0 0 "[ . 1]" 1
320 1 15 ILE MD 1 42 ARG HG3 . . 6.000 3.149 1.885 4.196 . 0 0 "[ . 1]" 1
321 1 15 ILE MD 1 42 ARG QD . . 7.000 3.307 1.803 4.457 . 0 0 "[ . 1]" 1
322 1 16 GLY H 1 17 ARG H . . 5.000 4.196 3.829 4.376 . 0 0 "[ . 1]" 1
323 1 16 GLY H 1 25 THR MG . . 6.000 4.263 3.598 4.763 . 0 0 "[ . 1]" 1
324 1 16 GLY H 1 26 GLN H . . 4.000 3.684 3.239 3.970 . 0 0 "[ . 1]" 1
325 1 16 GLY H 1 26 GLN QB . . 6.000 3.361 2.748 3.869 . 0 0 "[ . 1]" 1
326 1 16 GLY H 1 27 VAL QG . . 7.400 3.868 3.288 5.100 . 0 0 "[ . 1]" 1
327 1 16 GLY HA3 1 17 ARG H . . 4.000 2.740 2.239 3.262 . 0 0 "[ . 1]" 1
328 1 16 GLY HA2 1 17 ARG H . . 4.000 2.587 2.203 3.139 . 0 0 "[ . 1]" 1
329 1 17 ARG H 1 17 ARG HB2 . . 4.000 3.021 2.378 3.603 . 0 0 "[ . 1]" 1
330 1 17 ARG H 1 17 ARG HB3 . . 4.000 3.095 2.551 3.752 . 0 0 "[ . 1]" 1
331 1 17 ARG H 1 17 ARG QD . . 6.000 3.872 1.905 4.739 . 0 0 "[ . 1]" 1
332 1 17 ARG HA 1 18 THR H . . 3.000 2.438 2.335 2.607 . 0 0 "[ . 1]" 1
333 1 17 ARG HA 1 25 THR HA . . 3.000 2.239 1.991 2.738 . 0 0 "[ . 1]" 1
334 1 17 ARG HA 1 25 THR MG . . 6.000 3.395 2.603 3.903 . 0 0 "[ . 1]" 1
335 1 17 ARG HA 1 26 GLN H . . 4.000 2.939 2.382 3.501 . 0 0 "[ . 1]" 1
336 1 17 ARG HB2 1 18 THR H . . 4.000 3.298 2.643 3.968 . 0 0 "[ . 1]" 1
337 1 17 ARG HB3 1 18 THR H . . 4.000 3.317 2.300 3.991 . 0 0 "[ . 1]" 1
338 1 17 ARG QG 1 18 THR H . . 6.000 3.812 2.149 4.463 . 0 0 "[ . 1]" 1
339 1 17 ARG QG 1 25 THR HA . . 6.000 3.929 2.108 5.135 . 0 0 "[ . 1]" 1
340 1 17 ARG QG 1 25 THR MG . . 7.000 3.805 2.867 4.898 . 0 0 "[ . 1]" 1
341 1 17 ARG QD 1 18 THR H . . 6.000 4.332 3.699 5.164 . 0 0 "[ . 1]" 1
342 1 17 ARG QD 1 25 THR HA . . 6.000 4.612 3.676 5.363 . 0 0 "[ . 1]" 1
343 1 18 THR H 1 18 THR HB . . 4.000 3.135 2.629 3.576 . 0 0 "[ . 1]" 1
344 1 18 THR H 1 19 GLY H . . 5.000 3.030 1.924 4.356 . 0 0 "[ . 1]" 1
345 1 18 THR H 1 24 VAL H . . 5.000 3.754 2.826 4.288 . 0 0 "[ . 1]" 1
346 1 18 THR H 1 24 VAL HA . . 5.000 4.819 4.215 5.011 0.011 5 0 "[ . 1]" 1
347 1 18 THR H 1 24 VAL HB . . 4.000 3.416 1.972 3.943 . 0 0 "[ . 1]" 1
348 1 18 THR H 1 24 VAL QG . . 7.400 3.625 2.594 4.169 . 0 0 "[ . 1]" 1
349 1 18 THR H 1 25 THR HA . . 4.000 3.315 2.616 3.945 . 0 0 "[ . 1]" 1
350 1 18 THR H 1 26 GLN H . . 5.000 4.100 3.347 4.545 . 0 0 "[ . 1]" 1
351 1 18 THR HA 1 19 GLY H . . 4.000 2.811 2.150 3.620 . 0 0 "[ . 1]" 1
352 1 18 THR HB 1 24 VAL QG . . 7.400 4.108 2.103 5.192 . 0 0 "[ . 1]" 1
353 1 18 THR MG 1 19 GLY H . . 6.000 3.508 1.819 4.133 . 0 0 "[ . 1]" 1
354 1 18 THR MG 1 24 VAL H . . 6.000 4.066 2.858 4.820 . 0 0 "[ . 1]" 1
355 1 18 THR MG 1 24 VAL HB . . 6.000 2.514 1.960 3.056 . 0 0 "[ . 1]" 1
356 1 18 THR MG 1 24 VAL QG . . 8.400 2.532 1.737 3.267 . 0 0 "[ . 1]" 1
357 1 18 THR MG 1 25 THR HA . . 6.000 4.383 3.706 5.033 . 0 0 "[ . 1]" 1
358 1 18 THR MG 1 26 GLN QB . . 7.000 3.705 2.440 4.552 . 0 0 "[ . 1]" 1
359 1 18 THR MG 1 26 GLN QE . . 7.000 3.742 1.901 4.758 . 0 0 "[ . 1]" 1
360 1 19 GLY H 1 20 THR H . . 5.000 3.690 2.116 4.662 . 0 0 "[ . 1]" 1
361 1 19 GLY HA3 1 20 THR H . . 5.000 3.093 2.200 3.642 . 0 0 "[ . 1]" 1
362 1 19 GLY HA2 1 20 THR H . . 5.000 2.775 2.375 3.336 . 0 0 "[ . 1]" 1
363 1 19 GLY QA 1 21 THR H . . 6.000 3.749 3.280 4.127 . 0 0 "[ . 1]" 1
364 1 19 GLY QA 1 22 GLY H . . 5.000 3.098 2.682 3.459 . 0 0 "[ . 1]" 1
365 1 19 GLY QA 1 22 GLY QA . . 6.000 3.690 3.039 4.146 . 0 0 "[ . 1]" 1
366 1 19 GLY HA3 1 23 ASP H . . 4.000 2.805 1.930 4.006 0.006 10 0 "[ . 1]" 1
367 1 19 GLY HA2 1 23 ASP H . . 4.000 3.094 1.978 4.040 0.040 5 0 "[ . 1]" 1
368 1 19 GLY HA3 1 24 VAL H . . 5.000 3.038 1.912 4.900 . 0 0 "[ . 1]" 1
369 1 19 GLY HA2 1 24 VAL H . . 5.000 2.970 1.949 3.781 . 0 0 "[ . 1]" 1
370 1 20 THR H 1 21 THR H . . 5.000 3.171 1.910 4.064 . 0 0 "[ . 1]" 1
371 1 20 THR H 1 22 GLY H . . 5.000 3.847 3.210 4.523 . 0 0 "[ . 1]" 1
372 1 20 THR H 1 24 VAL H . . 5.000 4.592 3.557 5.136 0.136 7 0 "[ . 1]" 1
373 1 20 THR HA 1 20 THR HB . . 3.000 2.840 2.458 3.064 0.064 3 0 "[ . 1]" 1
374 1 20 THR HA 1 21 THR H . . 5.000 3.591 3.458 3.633 . 0 0 "[ . 1]" 1
375 1 20 THR HB 1 21 THR H . . 5.000 2.968 1.943 4.232 . 0 0 "[ . 1]" 1
376 1 20 THR MG 1 21 THR H . . 6.000 2.637 1.959 3.704 . 0 0 "[ . 1]" 1
377 1 20 THR MG 1 22 GLY H . . 6.000 4.364 3.422 4.942 . 0 0 "[ . 1]" 1
378 1 21 THR HA 1 21 THR HB . . 3.000 3.040 2.997 3.065 0.065 8 0 "[ . 1]" 1
379 1 21 THR HA 1 22 GLY H . . 4.000 3.554 3.463 3.597 . 0 0 "[ . 1]" 1
380 1 21 THR HB 1 22 GLY H . . 4.000 3.001 2.693 3.335 . 0 0 "[ . 1]" 1
381 1 21 THR MG 1 22 GLY H . . 6.000 3.505 3.013 4.048 . 0 0 "[ . 1]" 1
382 1 22 GLY H 1 23 ASP H . . 4.000 2.396 1.884 3.821 . 0 0 "[ . 1]" 1
383 1 22 GLY HA3 1 23 ASP H . . 4.000 3.492 2.213 3.644 . 0 0 "[ . 1]" 1
384 1 22 GLY HA2 1 23 ASP H . . 4.000 2.742 2.466 3.212 . 0 0 "[ . 1]" 1
385 1 22 GLY HA3 1 24 VAL H . . 5.000 4.763 3.856 5.014 0.014 5 0 "[ . 1]" 1
386 1 22 GLY HA2 1 24 VAL H . . 5.000 4.200 3.245 5.014 0.014 10 0 "[ . 1]" 1
387 1 23 ASP H 1 24 VAL H . . 3.000 2.535 1.880 3.000 . 0 0 "[ . 1]" 1
388 1 23 ASP H 1 24 VAL QG . . 7.400 3.557 2.840 4.063 . 0 0 "[ . 1]" 1
389 1 23 ASP HA 1 24 VAL H . . 4.000 3.136 2.653 3.601 . 0 0 "[ . 1]" 1
390 1 23 ASP QB 1 24 VAL H . . 4.600 3.344 2.593 3.943 . 0 0 "[ . 1]" 1
391 1 23 ASP QB 1 47 GLY H . . 6.000 4.696 3.494 5.401 . 0 0 "[ . 1]" 1
392 1 24 VAL H 1 24 VAL HB . . 4.000 2.555 2.317 3.506 . 0 0 "[ . 1]" 1
393 1 24 VAL H 1 25 THR H . . 5.000 4.560 4.170 4.639 . 0 0 "[ . 1]" 1
394 1 24 VAL HA 1 25 THR H . . 3.000 2.339 2.203 2.426 . 0 0 "[ . 1]" 1
395 1 24 VAL HA 1 46 ARG HA . . 4.000 2.668 2.196 3.723 . 0 0 "[ . 1]" 1
396 1 24 VAL HB 1 25 THR H . . 4.000 3.866 3.711 3.990 . 0 0 "[ . 1]" 1
397 1 24 VAL QG 1 25 THR H . . 7.400 2.180 1.895 3.663 . 0 0 "[ . 1]" 1
398 1 24 VAL QG 1 26 GLN QG . . 8.400 3.322 2.413 3.984 . 0 0 "[ . 1]" 1
399 1 24 VAL QG 1 44 ASN HA . . 7.400 3.858 3.320 5.281 . 0 0 "[ . 1]" 1
400 1 24 VAL QG 1 44 ASN HB2 . . 7.400 2.684 2.008 4.435 . 0 0 "[ . 1]" 1
401 1 24 VAL QG 1 44 ASN HB3 . . 7.400 3.457 2.200 3.939 . 0 0 "[ . 1]" 1
402 1 24 VAL QG 1 46 ARG HA . . 7.400 3.511 3.034 4.627 . 0 0 "[ . 1]" 1
403 1 24 VAL QG 1 46 ARG QG . . 8.400 3.251 2.443 4.234 . 0 0 "[ . 1]" 1
404 1 24 VAL QG 1 46 ARG HG2 . . 7.400 3.552 2.512 5.101 . 0 0 "[ . 1]" 1
405 1 24 VAL QG 1 46 ARG HG3 . . 7.400 4.096 3.338 4.665 . 0 0 "[ . 1]" 1
406 1 25 THR H 1 45 VAL H . . 4.000 3.275 2.984 3.537 . 0 0 "[ . 1]" 1
407 1 25 THR H 1 45 VAL HA . . 5.000 4.570 4.241 5.013 0.013 6 0 "[ . 1]" 1
408 1 25 THR H 1 46 ARG HA . . 4.000 2.930 2.543 3.343 . 0 0 "[ . 1]" 1
409 1 25 THR HA 1 26 GLN H . . 3.000 2.175 2.149 2.214 . 0 0 "[ . 1]" 1
410 1 25 THR HB 1 26 GLN H . . 5.000 4.574 4.399 4.654 . 0 0 "[ . 1]" 1
411 1 25 THR HB 1 27 VAL QG . . 7.400 4.119 3.763 4.600 . 0 0 "[ . 1]" 1
412 1 25 THR HB 1 45 VAL H . . 4.000 3.980 3.858 4.040 0.040 10 0 "[ . 1]" 1
413 1 25 THR HB 1 45 VAL HB . . 5.000 4.406 3.839 4.983 . 0 0 "[ . 1]" 1
414 1 25 THR HB 1 47 GLY QA . . 5.000 4.226 4.088 4.452 . 0 0 "[ . 1]" 1
415 1 25 THR HB 1 48 PRO QD . . 6.000 5.407 5.360 5.462 . 0 0 "[ . 1]" 1
416 1 25 THR HB 1 49 VAL QG . . 7.400 4.328 2.136 5.400 . 0 0 "[ . 1]" 1
417 1 25 THR MG 1 26 GLN H . . 6.000 3.248 2.964 3.518 . 0 0 "[ . 1]" 1
418 1 25 THR MG 1 27 VAL QG . . 8.400 2.459 1.956 3.264 . 0 0 "[ . 1]" 1
419 1 25 THR MG 1 49 VAL QG . . 8.400 2.816 1.941 3.491 . 0 0 "[ . 1]" 1
420 1 26 GLN HA 1 27 VAL H . . 3.000 2.269 2.206 2.327 . 0 0 "[ . 1]" 1
421 1 26 GLN HA 1 44 ASN HA . . 4.000 1.995 1.967 2.049 . 0 0 "[ . 1]" 1
422 1 26 GLN HA 1 44 ASN QB . . 6.000 3.317 2.903 3.762 . 0 0 "[ . 1]" 1
423 1 26 GLN HA 1 45 VAL H . . 4.000 3.088 2.666 3.465 . 0 0 "[ . 1]" 1
424 1 26 GLN QB 1 27 VAL H . . 5.600 3.275 2.897 3.554 . 0 0 "[ . 1]" 1
425 1 26 GLN HG2 1 27 VAL H . . 5.000 3.510 2.902 4.462 . 0 0 "[ . 1]" 1
426 1 26 GLN HG3 1 27 VAL H . . 5.000 4.399 3.291 4.956 . 0 0 "[ . 1]" 1
427 1 26 GLN QG 1 44 ASN H . . 6.000 3.969 3.737 4.305 . 0 0 "[ . 1]" 1
428 1 26 GLN QG 1 44 ASN HA . . 6.000 2.390 2.103 2.779 . 0 0 "[ . 1]" 1
429 1 26 GLN HG2 1 44 ASN HB2 . . 5.000 3.634 2.404 4.726 . 0 0 "[ . 1]" 1
430 1 26 GLN HG3 1 44 ASN HB3 . . 5.000 2.655 2.000 3.374 . 0 0 "[ . 1]" 1
431 1 26 GLN HG2 1 44 ASN QD . . 6.000 4.248 3.349 5.043 . 0 0 "[ . 1]" 1
432 1 26 GLN HG3 1 44 ASN QD . . 6.000 4.202 2.284 5.079 . 0 0 "[ . 1]" 1
433 1 26 GLN QG 1 45 VAL H . . 6.000 4.124 3.565 4.697 . 0 0 "[ . 1]" 1
434 1 26 GLN QE 1 42 ARG QG . . 7.000 4.136 2.142 5.627 . 0 0 "[ . 1]" 1
435 1 26 GLN QE 1 44 ASN HB2 . . 6.000 4.492 3.305 5.198 . 0 0 "[ . 1]" 1
436 1 26 GLN QE 1 44 ASN HB3 . . 6.000 3.719 2.299 4.494 . 0 0 "[ . 1]" 1
437 1 26 GLN QE 1 44 ASN QB . . 7.000 3.515 2.271 4.240 . 0 0 "[ . 1]" 1
438 1 27 VAL H 1 28 LYS H . . 5.000 4.364 4.230 4.437 . 0 0 "[ . 1]" 1
439 1 27 VAL H 1 43 ARG H . . 4.000 3.527 3.324 3.709 . 0 0 "[ . 1]" 1
440 1 27 VAL H 1 44 ASN HA . . 4.000 3.205 2.925 3.407 . 0 0 "[ . 1]" 1
441 1 27 VAL HA 1 28 LYS H . . 4.000 2.370 2.266 2.531 . 0 0 "[ . 1]" 1
442 1 27 VAL HB 1 28 LYS H . . 4.000 3.075 2.355 4.004 0.004 4 0 "[ . 1]" 1
443 1 27 VAL HB 1 29 VAL QG . . 7.400 3.849 3.369 4.803 . 0 0 "[ . 1]" 1
444 1 27 VAL MG1 1 28 LYS H . . 6.000 3.689 2.031 4.143 . 0 0 "[ . 1]" 1
445 1 27 VAL QG 1 28 LYS H . . 7.400 2.963 2.020 3.382 . 0 0 "[ . 1]" 1
446 1 27 VAL QG 1 28 LYS HA . . 7.400 3.895 3.585 4.140 . 0 0 "[ . 1]" 1
447 1 27 VAL QG 1 43 ARG H . . 7.400 3.606 3.357 4.263 . 0 0 "[ . 1]" 1
448 1 27 VAL QG 1 45 VAL QG . . 9.800 3.226 2.273 4.982 . 0 0 "[ . 1]" 1
449 1 28 LYS H 1 28 LYS QD . . 6.000 4.424 3.965 4.778 . 0 0 "[ . 1]" 1
450 1 28 LYS H 1 29 VAL H . . 5.000 4.518 4.465 4.589 . 0 0 "[ . 1]" 1
451 1 28 LYS HA 1 29 VAL H . . 3.000 2.214 2.195 2.243 . 0 0 "[ . 1]" 1
452 1 28 LYS HA 1 29 VAL MG1 . . 6.000 3.547 3.247 3.836 . 0 0 "[ . 1]" 1
453 1 28 LYS HA 1 29 VAL MG2 . . 6.000 3.758 3.609 4.018 . 0 0 "[ . 1]" 1
454 1 28 LYS HA 1 42 ARG HA . . 4.000 2.092 1.975 2.232 . 0 0 "[ . 1]" 1
455 1 28 LYS HA 1 43 ARG H . . 4.000 3.011 2.734 3.264 . 0 0 "[ . 1]" 1
456 1 28 LYS QB 1 29 VAL H . . 5.600 3.307 3.203 3.469 . 0 0 "[ . 1]" 1
457 1 28 LYS QB 1 40 VAL QG . . 8.400 3.198 2.429 4.277 . 0 0 "[ . 1]" 1
458 1 28 LYS QG 1 29 VAL H . . 6.000 3.465 3.144 3.669 . 0 0 "[ . 1]" 1
459 1 28 LYS QG 1 41 ILE H . . 6.000 4.022 3.473 4.419 . 0 0 "[ . 1]" 1
460 1 28 LYS QG 1 42 ARG H . . 6.000 3.954 3.777 4.148 . 0 0 "[ . 1]" 1
461 1 28 LYS QG 1 42 ARG HA . . 6.000 2.369 1.978 2.608 . 0 0 "[ . 1]" 1
462 1 28 LYS QG 1 42 ARG QG . . 7.000 3.107 1.823 4.364 . 0 0 "[ . 1]" 1
463 1 28 LYS HG2 1 43 ARG H . . 5.000 4.558 4.097 4.993 . 0 0 "[ . 1]" 1
464 1 28 LYS HG3 1 43 ARG H . . 5.000 4.797 4.612 5.018 0.018 6 0 "[ . 1]" 1
465 1 28 LYS QD 1 40 VAL QG . . 8.400 2.895 1.968 3.614 . 0 0 "[ . 1]" 1
466 1 29 VAL H 1 29 VAL HB . . 4.000 3.790 3.736 3.880 . 0 0 "[ . 1]" 1
467 1 29 VAL H 1 40 VAL HA . . 5.000 4.505 4.323 4.695 . 0 0 "[ . 1]" 1
468 1 29 VAL H 1 41 ILE H . . 4.000 2.839 2.711 3.003 . 0 0 "[ . 1]" 1
469 1 29 VAL H 1 41 ILE QG . . 6.000 2.870 2.524 3.217 . 0 0 "[ . 1]" 1
470 1 29 VAL H 1 42 ARG HA . . 5.000 3.337 3.169 3.509 . 0 0 "[ . 1]" 1
471 1 29 VAL H 1 43 ARG H . . 4.000 3.556 3.190 3.988 . 0 0 "[ . 1]" 1
472 1 29 VAL HA 1 30 ARG H . . 3.000 2.302 2.224 2.437 . 0 0 "[ . 1]" 1
473 1 29 VAL HB 1 30 ARG H . . 4.000 2.950 2.670 3.202 . 0 0 "[ . 1]" 1
474 1 29 VAL QG 1 30 ARG H . . 7.400 3.390 2.989 3.552 . 0 0 "[ . 1]" 1
475 1 29 VAL QG 1 43 ARG HB2 . . 7.400 2.531 1.941 4.334 . 0 0 "[ . 1]" 1
476 1 29 VAL QG 1 43 ARG HB3 . . 7.400 3.112 2.414 3.845 . 0 0 "[ . 1]" 1
477 1 29 VAL MG2 1 30 ARG H . . 6.000 3.717 3.080 4.052 . 0 0 "[ . 1]" 1
478 1 29 VAL QG 1 30 ARG HA . . 7.400 3.854 3.426 4.094 . 0 0 "[ . 1]" 1
479 1 29 VAL QG 1 41 ILE HG12 . . 7.400 2.665 2.353 2.933 . 0 0 "[ . 1]" 1
480 1 29 VAL QG 1 41 ILE HG13 . . 7.400 2.084 1.970 2.213 . 0 0 "[ . 1]" 1
481 1 29 VAL QG 1 41 ILE MG . . 8.400 4.136 3.872 4.305 . 0 0 "[ . 1]" 1
482 1 29 VAL QG 1 43 ARG QB . . 8.400 2.355 1.897 3.344 . 0 0 "[ . 1]" 1
483 1 29 VAL QG 1 43 ARG QG . . 8.400 3.052 1.984 4.440 . 0 0 "[ . 1]" 1
484 1 30 ARG H 1 30 ARG HB2 . . 4.000 3.064 2.876 3.704 . 0 0 "[ . 1]" 1
485 1 30 ARG H 1 30 ARG HB3 . . 4.000 2.503 2.360 2.960 . 0 0 "[ . 1]" 1
486 1 30 ARG H 1 31 ILE H . . 5.000 4.537 4.467 4.581 . 0 0 "[ . 1]" 1
487 1 30 ARG HA 1 31 ILE H . . 3.000 2.368 2.348 2.387 . 0 0 "[ . 1]" 1
488 1 30 ARG HA 1 40 VAL HA . . 4.000 2.063 1.989 2.217 . 0 0 "[ . 1]" 1
489 1 30 ARG HA 1 40 VAL MG1 . . 6.000 4.040 2.923 4.846 . 0 0 "[ . 1]" 1
490 1 30 ARG HA 1 40 VAL QG . . 7.400 3.189 2.784 3.630 . 0 0 "[ . 1]" 1
491 1 30 ARG HA 1 41 ILE H . . 4.000 3.261 3.042 3.477 . 0 0 "[ . 1]" 1
492 1 30 ARG HA 1 41 ILE QG . . 6.000 3.771 3.486 4.326 . 0 0 "[ . 1]" 1
493 1 30 ARG HB2 1 31 ILE H . . 4.000 3.874 2.790 4.040 0.040 5 0 "[ . 1]" 1
494 1 30 ARG HB3 1 31 ILE H . . 4.000 4.005 3.959 4.030 0.030 5 0 "[ . 1]" 1
495 1 30 ARG HB2 1 40 VAL QG . . 7.400 2.642 1.991 3.399 . 0 0 "[ . 1]" 1
496 1 30 ARG HB3 1 40 VAL QG . . 7.400 3.821 1.997 4.661 . 0 0 "[ . 1]" 1
497 1 30 ARG QG 1 31 ILE H . . 6.000 2.273 1.977 3.797 . 0 0 "[ . 1]" 1
498 1 30 ARG QG 1 32 LEU QD . . 8.400 4.307 3.545 4.894 . 0 0 "[ . 1]" 1
499 1 30 ARG QG 1 38 GLY H . . 6.000 3.303 2.927 4.798 . 0 0 "[ . 1]" 1
500 1 30 ARG QG 1 38 GLY HA3 . . 6.000 4.030 3.601 5.278 . 0 0 "[ . 1]" 1
501 1 30 ARG QG 1 38 GLY HA2 . . 6.000 2.624 2.316 3.713 . 0 0 "[ . 1]" 1
502 1 30 ARG QG 1 40 VAL QG . . 8.400 3.376 2.404 4.166 . 0 0 "[ . 1]" 1
503 1 30 ARG QD 1 31 ILE H . . 6.000 4.178 4.040 4.499 . 0 0 "[ . 1]" 1
504 1 30 ARG QD 1 38 GLY H . . 6.000 4.313 4.093 4.563 . 0 0 "[ . 1]" 1
505 1 30 ARG QD 1 38 GLY HA3 . . 6.000 3.639 3.090 4.094 . 0 0 "[ . 1]" 1
506 1 30 ARG QD 1 38 GLY HA2 . . 6.000 2.374 2.005 2.677 . 0 0 "[ . 1]" 1
507 1 30 ARG QD 1 40 VAL QG . . 8.400 3.275 2.222 4.488 . 0 0 "[ . 1]" 1
508 1 31 ILE H 1 31 ILE HB . . 4.000 2.354 2.215 2.451 . 0 0 "[ . 1]" 1
509 1 31 ILE H 1 31 ILE HG12 . . 5.000 3.057 2.076 3.573 . 0 0 "[ . 1]" 1
510 1 31 ILE H 1 31 ILE HG13 . . 5.000 2.502 2.168 3.418 . 0 0 "[ . 1]" 1
511 1 31 ILE H 1 37 LYS HA . . 5.000 4.954 4.624 5.024 0.024 7 0 "[ . 1]" 1
512 1 31 ILE H 1 38 GLY H . . 5.000 3.210 2.984 3.347 . 0 0 "[ . 1]" 1
513 1 31 ILE H 1 39 ARG H . . 4.000 2.676 2.071 3.835 . 0 0 "[ . 1]" 1
514 1 31 ILE H 1 40 VAL HA . . 4.000 3.721 3.247 3.869 . 0 0 "[ . 1]" 1
515 1 31 ILE HA 1 32 LEU H . . 4.000 2.190 2.177 2.216 . 0 0 "[ . 1]" 1
516 1 31 ILE HA 1 33 GLU H . . 5.000 3.762 3.610 3.922 . 0 0 "[ . 1]" 1
517 1 31 ILE HB 1 32 LEU H . . 5.000 4.376 4.259 4.600 . 0 0 "[ . 1]" 1
518 1 31 ILE HB 1 33 GLU H . . 5.000 4.561 4.395 4.778 . 0 0 "[ . 1]" 1
519 1 31 ILE HB 1 37 LYS HA . . 4.000 3.090 2.763 3.453 . 0 0 "[ . 1]" 1
520 1 31 ILE HB 1 37 LYS QB . . 6.000 4.921 4.553 5.177 . 0 0 "[ . 1]" 1
521 1 31 ILE HB 1 38 GLY H . . 4.000 2.047 1.946 2.208 . 0 0 "[ . 1]" 1
522 1 31 ILE HB 1 39 ARG H . . 4.000 2.149 1.939 2.642 . 0 0 "[ . 1]" 1
523 1 31 ILE QG 1 32 LEU H . . 6.000 4.245 3.948 4.704 . 0 0 "[ . 1]" 1
524 1 31 ILE HG12 1 38 GLY H . . 5.000 4.890 4.387 5.028 0.028 9 0 "[ . 1]" 1
525 1 31 ILE HG13 1 38 GLY H . . 5.000 4.187 3.969 4.421 . 0 0 "[ . 1]" 1
526 1 31 ILE MG 1 32 LEU H . . 6.000 2.834 2.555 3.276 . 0 0 "[ . 1]" 1
527 1 31 ILE MG 1 32 LEU HA . . 6.000 4.132 4.001 4.417 . 0 0 "[ . 1]" 1
528 1 31 ILE MG 1 32 LEU QB . . 6.600 4.014 3.832 4.193 . 0 0 "[ . 1]" 1
529 1 31 ILE MG 1 33 GLU H . . 6.000 2.148 1.934 2.559 . 0 0 "[ . 1]" 1
530 1 31 ILE MG 1 34 GLY QA . . 7.000 3.230 3.034 3.365 . 0 0 "[ . 1]" 1
531 1 31 ILE MG 1 36 ASP H . . 6.000 3.710 3.062 4.369 . 0 0 "[ . 1]" 1
532 1 31 ILE MG 1 36 ASP HB2 . . 6.000 3.305 2.221 4.017 . 0 0 "[ . 1]" 1
533 1 31 ILE MG 1 36 ASP HB3 . . 6.000 3.939 3.265 4.670 . 0 0 "[ . 1]" 1
534 1 31 ILE MG 1 37 LYS H . . 6.000 2.495 2.104 3.254 . 0 0 "[ . 1]" 1
535 1 31 ILE MG 1 37 LYS HA . . 6.000 2.146 1.949 2.413 . 0 0 "[ . 1]" 1
536 1 31 ILE MG 1 38 GLY H . . 6.000 2.940 2.616 3.149 . 0 0 "[ . 1]" 1
537 1 31 ILE MD 1 32 LEU H . . 6.000 4.755 3.910 5.033 . 0 0 "[ . 1]" 1
538 1 31 ILE MD 1 33 GLU H . . 6.000 4.686 3.897 4.913 . 0 0 "[ . 1]" 1
539 1 31 ILE MD 1 36 ASP H . . 6.000 4.087 3.487 4.795 . 0 0 "[ . 1]" 1
540 1 31 ILE MD 1 36 ASP HB2 . . 6.000 2.910 2.023 4.432 . 0 0 "[ . 1]" 1
541 1 31 ILE MD 1 36 ASP HB3 . . 6.000 3.519 2.527 4.680 . 0 0 "[ . 1]" 1
542 1 31 ILE MD 1 39 ARG H . . 6.000 3.727 3.279 5.021 . 0 0 "[ . 1]" 1
543 1 31 ILE MD 1 39 ARG HB2 . . 6.000 3.206 2.387 4.971 . 0 0 "[ . 1]" 1
544 1 31 ILE MD 1 39 ARG HB3 . . 6.000 2.582 1.931 3.724 . 0 0 "[ . 1]" 1
545 1 31 ILE MD 1 39 ARG QG . . 7.000 3.573 2.399 5.118 . 0 0 "[ . 1]" 1
546 1 31 ILE MD 1 39 ARG QD . . 7.000 3.314 2.655 3.935 . 0 0 "[ . 1]" 1
547 1 32 LEU H 1 32 LEU HG . . 5.000 3.314 2.774 4.063 . 0 0 "[ . 1]" 1
548 1 32 LEU H 1 33 GLU H . . 3.000 2.487 2.266 2.769 . 0 0 "[ . 1]" 1
549 1 32 LEU HA 1 33 GLU H . . 4.000 3.577 3.535 3.605 . 0 0 "[ . 1]" 1
550 1 32 LEU QB 1 33 GLU H . . 5.600 2.841 2.719 2.975 . 0 0 "[ . 1]" 1
551 1 32 LEU MD1 1 33 GLU H . . 6.000 4.655 4.252 4.905 . 0 0 "[ . 1]" 1
552 1 32 LEU QD 1 33 GLU QB . . 8.000 4.287 3.515 4.693 . 0 0 "[ . 1]" 1
553 1 32 LEU QD 1 54 ILE MG . . 8.400 2.656 1.899 3.718 . 0 0 "[ . 1]" 1
554 1 32 LEU MD2 1 33 GLU H . . 6.000 4.643 4.014 4.997 . 0 0 "[ . 1]" 1
555 1 33 GLU H 1 34 GLY H . . 5.000 4.363 4.352 4.380 . 0 0 "[ . 1]" 1
556 1 33 GLU H 1 34 GLY QA . . 5.600 4.335 4.307 4.366 . 0 0 "[ . 1]" 1
557 1 33 GLU H 1 37 LYS HA . . 5.000 3.652 3.525 3.703 . 0 0 "[ . 1]" 1
558 1 33 GLU H 1 38 GLY H . . 5.000 4.969 4.775 5.023 0.023 5 0 "[ . 1]" 1
559 1 33 GLU HA 1 34 GLY H . . 3.000 2.572 2.539 2.662 . 0 0 "[ . 1]" 1
560 1 33 GLU HA 1 37 LYS H . . 4.000 3.829 3.569 4.032 0.032 7 0 "[ . 1]" 1
561 1 33 GLU HA 1 37 LYS QD . . 6.000 3.537 2.690 4.110 . 0 0 "[ . 1]" 1
562 1 33 GLU HB2 1 34 GLY H . . 4.000 3.641 2.209 4.021 0.021 4 0 "[ . 1]" 1
563 1 33 GLU HB3 1 34 GLY H . . 4.000 2.992 2.566 3.761 . 0 0 "[ . 1]" 1
564 1 33 GLU HB2 1 34 GLY QA . . 5.600 4.732 3.769 5.055 . 0 0 "[ . 1]" 1
565 1 33 GLU HB3 1 34 GLY QA . . 5.600 3.945 3.572 5.103 . 0 0 "[ . 1]" 1
566 1 33 GLU QG 1 34 GLY H . . 6.000 2.627 2.038 4.074 . 0 0 "[ . 1]" 1
567 1 34 GLY H 1 37 LYS H . . 5.000 3.998 3.785 4.179 . 0 0 "[ . 1]" 1
568 1 34 GLY H 1 37 LYS QB . . 5.000 2.616 2.022 2.952 . 0 0 "[ . 1]" 1
569 1 34 GLY HA3 1 35 ARG H . . 4.000 2.930 2.203 3.644 . 0 0 "[ . 1]" 1
570 1 34 GLY HA2 1 35 ARG H . . 4.000 3.002 2.562 3.459 . 0 0 "[ . 1]" 1
571 1 34 GLY HA3 1 36 ASP H . . 5.000 3.981 3.689 4.348 . 0 0 "[ . 1]" 1
572 1 34 GLY HA2 1 36 ASP H . . 5.000 4.921 4.399 5.154 0.154 10 0 "[ . 1]" 1
573 1 35 ARG H 1 35 ARG HB2 . . 4.000 2.755 2.121 3.301 . 0 0 "[ . 1]" 1
574 1 35 ARG H 1 35 ARG HB3 . . 4.000 3.612 3.061 4.018 0.018 2 0 "[ . 1]" 1
575 1 35 ARG H 1 35 ARG QD . . 6.000 4.130 3.171 5.164 . 0 0 "[ . 1]" 1
576 1 35 ARG H 1 36 ASP H . . 4.000 2.947 1.840 4.003 0.003 9 0 "[ . 1]" 1
577 1 35 ARG H 1 37 LYS H . . 5.000 3.681 2.895 4.512 . 0 0 "[ . 1]" 1
578 1 35 ARG H 1 37 LYS QB . . 5.000 4.030 3.364 4.564 . 0 0 "[ . 1]" 1
579 1 35 ARG HA 1 36 ASP H . . 4.000 3.610 3.561 3.643 . 0 0 "[ . 1]" 1
580 1 35 ARG HA 1 37 LYS H . . 5.000 4.716 3.636 5.027 0.027 1 0 "[ . 1]" 1
581 1 35 ARG HB2 1 36 ASP H . . 5.000 3.112 2.799 3.489 . 0 0 "[ . 1]" 1
582 1 35 ARG HB3 1 36 ASP H . . 5.000 2.587 1.947 3.293 . 0 0 "[ . 1]" 1
583 1 35 ARG QB 1 36 ASP QB . . 6.200 3.867 3.488 4.236 . 0 0 "[ . 1]" 1
584 1 35 ARG QB 1 37 LYS H . . 5.000 4.464 4.291 4.569 . 0 0 "[ . 1]" 1
585 1 35 ARG QG 1 36 ASP H . . 6.000 4.301 3.836 4.612 . 0 0 "[ . 1]" 1
586 1 36 ASP H 1 36 ASP HA . . 3.000 2.813 2.689 2.907 . 0 0 "[ . 1]" 1
587 1 36 ASP H 1 36 ASP HB2 . . 4.000 2.285 2.014 2.645 . 0 0 "[ . 1]" 1
588 1 36 ASP H 1 36 ASP HB3 . . 4.000 3.411 3.099 3.594 . 0 0 "[ . 1]" 1
589 1 36 ASP H 1 37 LYS H . . 3.000 2.508 1.961 2.975 . 0 0 "[ . 1]" 1
590 1 36 ASP HA 1 37 LYS H . . 4.000 3.552 2.987 3.653 . 0 0 "[ . 1]" 1
591 1 36 ASP HB2 1 37 LYS H . . 5.000 2.900 2.124 4.115 . 0 0 "[ . 1]" 1
592 1 36 ASP HB3 1 37 LYS H . . 5.000 3.321 2.536 4.471 . 0 0 "[ . 1]" 1
593 1 36 ASP QB 1 39 ARG H . . 6.000 3.321 2.572 3.986 . 0 0 "[ . 1]" 1
594 1 36 ASP QB 1 39 ARG HB2 . . 6.000 2.229 1.925 2.772 . 0 0 "[ . 1]" 1
595 1 36 ASP QB 1 39 ARG HB3 . . 6.000 3.237 1.982 4.062 . 0 0 "[ . 1]" 1
596 1 37 LYS H 1 37 LYS HB2 . . 4.000 3.225 2.847 3.784 . 0 0 "[ . 1]" 1
597 1 37 LYS H 1 37 LYS HB3 . . 4.000 3.046 2.317 3.427 . 0 0 "[ . 1]" 1
598 1 37 LYS H 1 38 GLY H . . 4.000 3.637 3.543 4.176 0.176 3 0 "[ . 1]" 1
599 1 37 LYS H 1 39 ARG H . . 5.000 4.438 3.780 4.902 . 0 0 "[ . 1]" 1
600 1 37 LYS HA 1 38 GLY H . . 3.000 2.288 2.280 2.292 . 0 0 "[ . 1]" 1
601 1 37 LYS HA 1 39 ARG H . . 4.000 3.921 3.715 4.041 0.041 5 0 "[ . 1]" 1
602 1 37 LYS HB2 1 38 GLY H . . 5.000 4.409 4.142 4.625 . 0 0 "[ . 1]" 1
603 1 37 LYS HB3 1 38 GLY H . . 5.000 4.637 4.581 4.664 . 0 0 "[ . 1]" 1
604 1 37 LYS HG2 1 38 GLY H . . 5.000 4.148 3.549 4.746 . 0 0 "[ . 1]" 1
605 1 37 LYS HG3 1 38 GLY H . . 5.000 4.668 4.015 4.988 . 0 0 "[ . 1]" 1
606 1 38 GLY H 1 39 ARG H . . 3.000 1.974 1.877 2.278 . 0 0 "[ . 1]" 1
607 1 38 GLY H 1 39 ARG QB . . 5.600 3.620 3.440 3.729 . 0 0 "[ . 1]" 1
608 1 38 GLY HA3 1 39 ARG H . . 4.000 3.436 3.002 3.620 . 0 0 "[ . 1]" 1
609 1 38 GLY HA2 1 39 ARG H . . 4.000 3.147 2.880 3.583 . 0 0 "[ . 1]" 1
610 1 39 ARG H 1 39 ARG QD . . 6.000 4.496 4.005 4.753 . 0 0 "[ . 1]" 1
611 1 39 ARG HA 1 39 ARG HD2 . . 5.000 3.862 2.626 4.684 . 0 0 "[ . 1]" 1
612 1 39 ARG HA 1 39 ARG HD3 . . 5.000 4.298 3.606 4.840 . 0 0 "[ . 1]" 1
613 1 39 ARG HA 1 40 VAL H . . 4.000 2.232 2.226 2.256 . 0 0 "[ . 1]" 1
614 1 39 ARG HA 1 40 VAL QG . . 7.400 3.582 3.184 3.923 . 0 0 "[ . 1]" 1
615 1 39 ARG HB2 1 40 VAL H . . 5.000 4.475 4.298 4.604 . 0 0 "[ . 1]" 1
616 1 39 ARG HB3 1 40 VAL H . . 5.000 4.206 3.842 4.478 . 0 0 "[ . 1]" 1
617 1 39 ARG QB 1 41 ILE MG . . 7.000 3.408 3.023 4.085 . 0 0 "[ . 1]" 1
618 1 39 ARG QG 1 40 VAL H . . 6.000 2.855 2.655 3.034 . 0 0 "[ . 1]" 1
619 1 39 ARG HG2 1 41 ILE MG . . 6.000 2.916 2.121 3.980 . 0 0 "[ . 1]" 1
620 1 39 ARG HG3 1 41 ILE MG . . 6.000 3.584 2.624 4.745 . 0 0 "[ . 1]" 1
621 1 39 ARG HD2 1 41 ILE MG . . 6.000 4.115 2.509 4.915 . 0 0 "[ . 1]" 1
622 1 39 ARG HD3 1 41 ILE MG . . 6.000 3.470 2.245 5.006 . 0 0 "[ . 1]" 1
623 1 40 VAL H 1 40 VAL HB . . 4.000 2.984 2.231 3.657 . 0 0 "[ . 1]" 1
624 1 40 VAL H 1 41 ILE H . . 5.000 4.535 4.417 4.602 . 0 0 "[ . 1]" 1
625 1 40 VAL HA 1 41 ILE H . . 3.000 2.234 2.183 2.319 . 0 0 "[ . 1]" 1
626 1 40 VAL HA 1 41 ILE QG . . 6.000 3.706 3.477 3.891 . 0 0 "[ . 1]" 1
627 1 40 VAL HA 1 41 ILE MG . . 6.000 3.690 3.422 3.920 . 0 0 "[ . 1]" 1
628 1 40 VAL HB 1 41 ILE H . . 5.000 3.845 3.078 4.507 . 0 0 "[ . 1]" 1
629 1 41 ILE H 1 41 ILE HG12 . . 5.000 2.619 2.235 2.982 . 0 0 "[ . 1]" 1
630 1 41 ILE H 1 41 ILE HG13 . . 5.000 2.734 2.536 2.919 . 0 0 "[ . 1]" 1
631 1 41 ILE HA 1 42 ARG H . . 3.000 2.591 2.474 2.658 . 0 0 "[ . 1]" 1
632 1 41 ILE HB 1 42 ARG H . . 4.000 2.257 2.119 2.474 . 0 0 "[ . 1]" 1
633 1 41 ILE HG12 1 42 ARG H . . 5.000 4.664 4.531 4.811 . 0 0 "[ . 1]" 1
634 1 41 ILE HG13 1 42 ARG H . . 5.000 3.545 3.328 3.723 . 0 0 "[ . 1]" 1
635 1 41 ILE QG 1 42 ARG HA . . 6.000 3.924 3.677 4.150 . 0 0 "[ . 1]" 1
636 1 41 ILE QG 1 43 ARG H . . 6.000 3.859 3.630 4.170 . 0 0 "[ . 1]" 1
637 1 41 ILE MG 1 42 ARG H . . 6.000 3.665 3.545 3.762 . 0 0 "[ . 1]" 1
638 1 41 ILE MD 1 42 ARG H . . 6.000 3.688 3.250 4.047 . 0 0 "[ . 1]" 1
639 1 41 ILE MD 1 43 ARG QG . . 7.000 3.186 2.223 4.690 . 0 0 "[ . 1]" 1
640 1 41 ILE MD 1 43 ARG QD . . 7.000 3.928 2.380 4.891 . 0 0 "[ . 1]" 1
641 1 41 ILE MD 1 57 LEU QD . . 8.400 2.958 1.908 4.327 . 0 0 "[ . 1]" 1
642 1 41 ILE MD 1 60 THR HA . . 6.000 4.867 4.387 5.063 . 0 0 "[ . 1]" 1
643 1 42 ARG H 1 42 ARG HG2 . . 5.000 3.295 1.973 4.368 . 0 0 "[ . 1]" 1
644 1 42 ARG H 1 42 ARG HG3 . . 5.000 3.951 2.857 4.882 . 0 0 "[ . 1]" 1
645 1 42 ARG H 1 42 ARG QD . . 6.000 3.388 2.142 4.995 . 0 0 "[ . 1]" 1
646 1 42 ARG H 1 43 ARG H . . 4.000 4.087 4.026 4.143 0.143 6 0 "[ . 1]" 1
647 1 42 ARG HA 1 43 ARG H . . 3.000 2.249 2.224 2.264 . 0 0 "[ . 1]" 1
648 1 42 ARG QB 1 43 ARG H . . 5.600 3.781 3.448 4.036 . 0 0 "[ . 1]" 1
649 1 42 ARG QG 1 43 ARG H . . 6.000 3.985 3.126 4.626 . 0 0 "[ . 1]" 1
650 1 42 ARG QD 1 43 ARG H . . 6.000 5.117 4.378 5.387 . 0 0 "[ . 1]" 1
651 1 43 ARG H 1 43 ARG QD . . 6.000 4.537 4.100 4.824 . 0 0 "[ . 1]" 1
652 1 43 ARG HA 1 44 ASN H . . 4.000 2.337 2.244 2.606 . 0 0 "[ . 1]" 1
653 1 43 ARG HB2 1 44 ASN H . . 5.000 4.151 2.304 4.537 . 0 0 "[ . 1]" 1
654 1 43 ARG HB3 1 44 ASN H . . 5.000 3.567 3.157 3.925 . 0 0 "[ . 1]" 1
655 1 43 ARG QG 1 44 ASN H . . 6.000 3.156 2.005 4.029 . 0 0 "[ . 1]" 1
656 1 43 ARG QG 1 45 VAL QG . . 8.400 3.395 2.115 4.343 . 0 0 "[ . 1]" 1
657 1 43 ARG QG 1 57 LEU QD . . 8.400 3.276 1.966 4.952 . 0 0 "[ . 1]" 1
658 1 43 ARG QD 1 44 ASN H . . 6.000 3.323 2.405 4.433 . 0 0 "[ . 1]" 1
659 1 43 ARG QD 1 45 VAL QG . . 8.400 2.836 1.930 4.332 . 0 0 "[ . 1]" 1
660 1 44 ASN H 1 44 ASN HD21 . . 5.000 3.633 2.194 4.789 . 0 0 "[ . 1]" 1
661 1 44 ASN H 1 44 ASN HD22 . . 5.000 3.925 2.991 4.847 . 0 0 "[ . 1]" 1
662 1 44 ASN H 1 45 VAL H . . 5.000 4.355 4.124 4.551 . 0 0 "[ . 1]" 1
663 1 44 ASN HA 1 45 VAL H . . 3.000 2.267 2.252 2.340 . 0 0 "[ . 1]" 1
664 1 44 ASN HA 1 45 VAL QG . . 7.400 3.641 3.302 4.053 . 0 0 "[ . 1]" 1
665 1 44 ASN HB2 1 45 VAL H . . 5.000 3.670 3.382 4.269 . 0 0 "[ . 1]" 1
666 1 44 ASN HB3 1 45 VAL H . . 5.000 4.205 3.058 4.468 . 0 0 "[ . 1]" 1
667 1 45 VAL H 1 45 VAL HB . . 4.000 2.766 2.492 3.694 . 0 0 "[ . 1]" 1
668 1 45 VAL H 1 46 ARG H . . 5.000 4.434 4.373 4.498 . 0 0 "[ . 1]" 1
669 1 45 VAL HA 1 46 ARG H . . 3.000 2.425 2.312 2.649 . 0 0 "[ . 1]" 1
670 1 45 VAL HB 1 46 ARG H . . 5.000 3.654 2.135 4.187 . 0 0 "[ . 1]" 1
671 1 45 VAL HB 1 49 VAL QG . . 7.400 4.013 2.256 5.195 . 0 0 "[ . 1]" 1
672 1 45 VAL QG 1 46 ARG H . . 7.400 2.042 1.781 3.050 . 0 0 "[ . 1]" 1
673 1 45 VAL QG 1 46 ARG HA . . 7.400 3.811 3.662 4.053 . 0 0 "[ . 1]" 1
674 1 45 VAL QG 1 46 ARG QB . . 8.000 3.621 3.362 4.513 . 0 0 "[ . 1]" 1
675 1 45 VAL QG 1 46 ARG HG2 . . 7.400 4.540 3.580 5.295 . 0 0 "[ . 1]" 1
676 1 45 VAL QG 1 46 ARG HG3 . . 7.400 3.962 3.383 4.971 . 0 0 "[ . 1]" 1
677 1 45 VAL QG 1 49 VAL HB . . 7.400 4.879 3.508 5.383 . 0 0 "[ . 1]" 1
678 1 46 ARG H 1 46 ARG HB2 . . 4.000 2.638 2.481 2.760 . 0 0 "[ . 1]" 1
679 1 46 ARG H 1 46 ARG HB3 . . 4.000 3.496 2.371 3.683 . 0 0 "[ . 1]" 1
680 1 46 ARG H 1 47 GLY H . . 5.000 4.558 4.516 4.630 . 0 0 "[ . 1]" 1
681 1 46 ARG H 1 47 GLY QA . . 5.600 4.986 4.939 5.084 . 0 0 "[ . 1]" 1
682 1 46 ARG HA 1 47 GLY H . . 4.000 2.280 2.244 2.347 . 0 0 "[ . 1]" 1
683 1 46 ARG HB2 1 47 GLY H . . 4.000 4.021 4.003 4.042 0.042 10 0 "[ . 1]" 1
684 1 46 ARG HB3 1 47 GLY H . . 4.000 3.309 2.986 4.033 0.033 10 0 "[ . 1]" 1
685 1 47 GLY H 1 48 PRO QD . . 6.000 4.131 3.898 4.334 . 0 0 "[ . 1]" 1
686 1 47 GLY QA 1 48 PRO QG . . 6.600 3.742 3.719 3.755 . 0 0 "[ . 1]" 1
687 1 47 GLY HA3 1 48 PRO QD . . 6.000 2.399 2.078 2.639 . 0 0 "[ . 1]" 1
688 1 47 GLY HA2 1 48 PRO QD . . 6.000 2.143 1.944 2.523 . 0 0 "[ . 1]" 1
689 1 48 PRO HA 1 49 VAL H . . 3.000 2.585 2.222 3.224 0.224 6 0 "[ . 1]" 1
690 1 48 PRO HA 1 49 VAL HB . . 4.000 3.952 3.818 4.099 0.099 10 0 "[ . 1]" 1
691 1 48 PRO HB2 1 49 VAL H . . 5.000 2.718 1.949 4.057 . 0 0 "[ . 1]" 1
692 1 48 PRO HB3 1 49 VAL H . . 5.000 3.491 3.100 4.626 . 0 0 "[ . 1]" 1
693 1 49 VAL H 1 50 ARG H . . 5.000 4.358 4.242 4.491 . 0 0 "[ . 1]" 1
694 1 49 VAL HA 1 50 ARG H . . 3.000 2.565 2.328 2.828 . 0 0 "[ . 1]" 1
695 1 49 VAL HB 1 50 ARG H . . 5.000 3.914 3.681 4.140 . 0 0 "[ . 1]" 1
696 1 49 VAL MG1 1 50 ARG H . . 6.000 2.391 1.850 3.463 . 0 0 "[ . 1]" 1
697 1 49 VAL QG 1 50 ARG H . . 7.400 1.902 1.791 2.099 . 0 0 "[ . 1]" 1
698 1 49 VAL QG 1 53 ASP QB . . 8.400 2.475 1.987 3.239 . 0 0 "[ . 1]" 1
699 1 49 VAL QG 1 55 LEU QD . . 9.800 3.935 2.888 4.937 . 0 0 "[ . 1]" 1
700 1 50 ARG H 1 50 ARG HG2 . . 5.000 4.251 3.575 4.776 . 0 0 "[ . 1]" 1
701 1 50 ARG H 1 50 ARG HG3 . . 5.000 3.815 2.805 4.945 . 0 0 "[ . 1]" 1
702 1 50 ARG H 1 50 ARG QD . . 6.000 4.605 4.132 5.070 . 0 0 "[ . 1]" 1
703 1 50 ARG H 1 51 VAL H . . 4.000 4.241 4.201 4.283 0.283 4 0 "[ . 1]" 1
704 1 50 ARG H 1 53 ASP H . . 5.000 3.946 3.763 4.304 . 0 0 "[ . 1]" 1
705 1 50 ARG H 1 53 ASP HB2 . . 5.000 2.791 2.604 2.966 . 0 0 "[ . 1]" 1
706 1 50 ARG H 1 53 ASP HB3 . . 5.000 3.919 3.131 4.255 . 0 0 "[ . 1]" 1
707 1 50 ARG HA 1 51 VAL H . . 3.000 2.293 2.249 2.335 . 0 0 "[ . 1]" 1
708 1 50 ARG HB2 1 51 VAL H . . 4.000 4.102 4.072 4.136 0.136 10 0 "[ . 1]" 1
709 1 50 ARG HB3 1 51 VAL H . . 4.000 3.552 2.956 4.086 0.086 7 0 "[ . 1]" 1
710 1 50 ARG QB 1 53 ASP H . . 5.000 4.137 3.922 4.252 . 0 0 "[ . 1]" 1
711 1 50 ARG HG2 1 51 VAL H . . 5.000 4.037 2.232 4.940 . 0 0 "[ . 1]" 1
712 1 50 ARG HG3 1 51 VAL H . . 5.000 3.993 1.988 5.153 0.153 1 0 "[ . 1]" 1
713 1 50 ARG QD 1 51 VAL H . . 6.000 4.572 2.933 5.463 . 0 0 "[ . 1]" 1
714 1 51 VAL H 1 51 VAL HB . . 3.000 2.394 2.201 2.537 . 0 0 "[ . 1]" 1
715 1 51 VAL H 1 52 GLY H . . 5.000 4.594 4.504 4.662 . 0 0 "[ . 1]" 1
716 1 51 VAL HA 1 52 GLY H . . 3.000 2.227 2.182 2.304 . 0 0 "[ . 1]" 1
717 1 51 VAL HA 1 53 ASP H . . 4.000 3.430 3.208 3.726 . 0 0 "[ . 1]" 1
718 1 51 VAL HB 1 52 GLY H . . 5.000 4.267 4.060 4.464 . 0 0 "[ . 1]" 1
719 1 51 VAL QG 1 52 GLY H . . 7.400 2.513 2.188 2.840 . 0 0 "[ . 1]" 1
720 1 51 VAL QG 1 52 GLY HA3 . . 7.400 3.490 3.172 3.777 . 0 0 "[ . 1]" 1
721 1 51 VAL QG 1 52 GLY HA2 . . 7.400 3.362 3.266 3.503 . 0 0 "[ . 1]" 1
722 1 52 GLY H 1 53 ASP H . . 4.000 2.624 2.407 2.884 . 0 0 "[ . 1]" 1
723 1 52 GLY HA3 1 53 ASP H . . 5.000 3.076 2.968 3.186 . 0 0 "[ . 1]" 1
724 1 52 GLY HA2 1 53 ASP H . . 5.000 3.549 3.491 3.594 . 0 0 "[ . 1]" 1
725 1 53 ASP H 1 53 ASP HB2 . . 4.000 2.225 2.007 2.677 . 0 0 "[ . 1]" 1
726 1 53 ASP H 1 53 ASP HB3 . . 4.000 2.854 2.296 3.310 . 0 0 "[ . 1]" 1
727 1 53 ASP H 1 54 ILE H . . 5.000 4.618 4.546 4.668 . 0 0 "[ . 1]" 1
728 1 53 ASP HA 1 54 ILE H . . 3.000 2.320 2.260 2.406 . 0 0 "[ . 1]" 1
729 1 53 ASP HB2 1 54 ILE H . . 5.000 4.306 4.095 4.529 . 0 0 "[ . 1]" 1
730 1 53 ASP HB3 1 54 ILE H . . 5.000 3.843 3.432 4.454 . 0 0 "[ . 1]" 1
731 1 54 ILE H 1 54 ILE HB . . 4.000 2.532 2.351 2.659 . 0 0 "[ . 1]" 1
732 1 54 ILE H 1 55 LEU H . . 5.000 4.405 4.258 4.500 . 0 0 "[ . 1]" 1
733 1 54 ILE HA 1 55 LEU H . . 3.000 2.235 2.180 2.300 . 0 0 "[ . 1]" 1
734 1 54 ILE HB 1 55 LEU H . . 5.000 4.252 4.089 4.654 . 0 0 "[ . 1]" 1
735 1 54 ILE QG 1 55 LEU H . . 6.000 4.230 3.727 4.785 . 0 0 "[ . 1]" 1
736 1 54 ILE MG 1 55 LEU H . . 6.000 2.489 2.145 3.378 . 0 0 "[ . 1]" 1
737 1 54 ILE MG 1 55 LEU HA . . 6.000 3.394 3.090 3.694 . 0 0 "[ . 1]" 1
738 1 54 ILE MG 1 56 ILE MD . . 7.000 3.862 3.505 4.343 . 0 0 "[ . 1]" 1
739 1 54 ILE MD 1 55 LEU H . . 6.000 4.200 2.752 5.055 . 0 0 "[ . 1]" 1
740 1 55 LEU H 1 55 LEU HG . . 5.000 4.118 2.512 5.001 0.001 9 0 "[ . 1]" 1
741 1 55 LEU H 1 56 ILE H . . 5.000 4.236 3.989 4.370 . 0 0 "[ . 1]" 1
742 1 55 LEU HA 1 56 ILE H . . 4.000 2.274 2.177 2.663 . 0 0 "[ . 1]" 1
743 1 55 LEU QB 1 56 ILE H . . 4.600 3.279 2.118 3.793 . 0 0 "[ . 1]" 1
744 1 55 LEU QD 1 56 ILE H . . 7.400 3.118 2.258 3.855 . 0 0 "[ . 1]" 1
745 1 56 ILE H 1 56 ILE HB . . 4.000 2.668 2.417 2.914 . 0 0 "[ . 1]" 1
746 1 56 ILE H 1 56 ILE HG12 . . 5.000 2.848 2.186 3.530 . 0 0 "[ . 1]" 1
747 1 56 ILE H 1 56 ILE HG13 . . 5.000 2.436 1.986 3.165 . 0 0 "[ . 1]" 1
748 1 56 ILE H 1 57 LEU H . . 5.000 4.494 3.926 4.618 . 0 0 "[ . 1]" 1
749 1 56 ILE HA 1 57 LEU H . . 3.000 2.391 2.231 3.204 0.204 4 0 "[ . 1]" 1
750 1 56 ILE HB 1 57 LEU H . . 5.000 3.630 1.939 4.147 . 0 0 "[ . 1]" 1
751 1 56 ILE MG 1 57 LEU H . . 6.000 2.043 1.861 2.506 . 0 0 "[ . 1]" 1
752 1 56 ILE MG 1 58 ARG H . . 6.000 4.320 1.872 4.793 . 0 0 "[ . 1]" 1
753 1 56 ILE MG 1 58 ARG QG . . 7.000 4.657 4.236 5.145 . 0 0 "[ . 1]" 1
754 1 56 ILE MD 1 57 LEU H . . 6.000 4.535 3.691 4.858 . 0 0 "[ . 1]" 1
755 1 57 LEU H 1 57 LEU HG . . 5.000 3.869 2.278 4.898 . 0 0 "[ . 1]" 1
756 1 57 LEU H 1 58 ARG H . . 5.000 4.029 2.238 4.513 . 0 0 "[ . 1]" 1
757 1 57 LEU HA 1 58 ARG H . . 3.000 2.339 2.177 3.075 0.075 7 0 "[ . 1]" 1
758 1 57 LEU HA 1 59 GLU H . . 5.000 4.278 3.201 4.842 . 0 0 "[ . 1]" 1
759 1 57 LEU HB2 1 58 ARG H . . 5.000 3.770 2.789 4.620 . 0 0 "[ . 1]" 1
760 1 57 LEU HB3 1 58 ARG H . . 5.000 4.080 3.179 4.416 . 0 0 "[ . 1]" 1
761 1 57 LEU QB 1 58 ARG HA . . 5.600 4.782 4.308 5.171 . 0 0 "[ . 1]" 1
762 1 57 LEU QD 1 58 ARG H . . 7.400 3.373 1.928 4.553 . 0 0 "[ . 1]" 1
763 1 57 LEU QD 1 60 THR HA . . 7.400 3.414 2.103 4.652 . 0 0 "[ . 1]" 1
764 1 58 ARG H 1 58 ARG HB2 . . 4.000 2.549 2.053 3.554 . 0 0 "[ . 1]" 1
765 1 58 ARG H 1 58 ARG HB3 . . 4.000 3.228 2.597 3.871 . 0 0 "[ . 1]" 1
766 1 58 ARG H 1 59 GLU H . . 4.000 2.815 2.221 3.905 . 0 0 "[ . 1]" 1
767 1 58 ARG HA 1 59 GLU H . . 4.000 3.493 2.460 3.651 . 0 0 "[ . 1]" 1
768 1 58 ARG QB 1 59 GLU H . . 5.600 2.691 2.008 4.059 . 0 0 "[ . 1]" 1
769 1 58 ARG QB 1 59 GLU QB . . 5.200 3.505 2.961 4.182 . 0 0 "[ . 1]" 1
770 1 58 ARG QD 1 61 GLU QG . . 7.000 4.619 3.453 5.574 . 0 0 "[ . 1]" 1
771 1 59 GLU H 1 60 THR H . . 5.000 3.425 1.852 4.580 . 0 0 "[ . 1]" 1
772 1 59 GLU H 1 61 GLU H . . 5.000 4.598 4.086 5.064 0.064 2 0 "[ . 1]" 1
773 1 59 GLU H 1 61 GLU QG . . 6.000 4.538 3.107 5.376 . 0 0 "[ . 1]" 1
774 1 59 GLU HA 1 60 THR H . . 4.000 3.054 2.316 3.641 . 0 0 "[ . 1]" 1
775 1 59 GLU HB2 1 60 THR H . . 4.000 3.562 2.378 4.047 0.047 2 0 "[ . 1]" 1
776 1 59 GLU HB3 1 60 THR H . . 4.000 2.975 1.980 4.068 0.068 2 0 "[ . 1]" 1
777 1 59 GLU QB 1 61 GLU H . . 6.000 3.228 2.154 5.207 . 0 0 "[ . 1]" 1
778 1 59 GLU QB 1 61 GLU QG . . 7.000 3.901 2.061 5.484 . 0 0 "[ . 1]" 1
779 1 59 GLU QG 1 60 THR H . . 6.000 3.455 1.931 4.610 . 0 0 "[ . 1]" 1
780 1 59 GLU QG 1 61 GLU H . . 6.000 3.798 1.916 4.985 . 0 0 "[ . 1]" 1
781 1 60 THR H 1 61 GLU HA . . 5.000 4.778 3.826 5.166 0.166 8 0 "[ . 1]" 1
782 1 60 THR H 1 61 GLU QG . . 6.000 4.093 2.885 5.365 . 0 0 "[ . 1]" 1
783 1 60 THR HA 1 60 THR HB . . 3.000 2.613 2.354 3.030 0.030 9 0 "[ . 1]" 1
784 1 60 THR HA 1 61 GLU H . . 5.000 3.272 2.711 3.613 . 0 0 "[ . 1]" 1
785 1 60 THR HB 1 61 GLU H . . 5.000 4.167 3.108 4.698 . 0 0 "[ . 1]" 1
786 1 60 THR MG 1 61 GLU H . . 6.000 3.396 1.913 4.307 . 0 0 "[ . 1]" 1
787 1 61 GLU HA 1 62 ARG H . . 4.000 3.202 2.386 3.645 . 0 0 "[ . 1]" 1
788 1 61 GLU HB2 1 62 ARG H . . 4.000 3.255 2.170 3.971 . 0 0 "[ . 1]" 1
789 1 61 GLU HB3 1 62 ARG H . . 4.000 3.116 1.983 4.008 0.008 3 0 "[ . 1]" 1
790 1 62 ARG H 1 62 ARG HA . . 3.000 2.506 2.159 2.912 . 0 0 "[ . 1]" 1
791 1 62 ARG H 1 62 ARG HG2 . . 5.000 4.121 2.108 4.847 . 0 0 "[ . 1]" 1
792 1 62 ARG H 1 62 ARG HG3 . . 5.000 3.958 2.836 5.005 0.005 8 0 "[ . 1]" 1
793 1 62 ARG H 1 62 ARG QD . . 6.000 4.473 2.772 5.170 . 0 0 "[ . 1]" 1
794 1 62 ARG HA 1 63 GLU H . . 4.000 2.716 2.226 3.649 . 0 0 "[ . 1]" 1
795 1 62 ARG QB 1 63 GLU H . . 4.600 2.982 1.906 3.916 . 0 0 "[ . 1]" 1
796 1 62 ARG HG2 1 63 GLU H . . 5.000 3.650 2.544 4.453 . 0 0 "[ . 1]" 1
797 1 62 ARG HG3 1 63 GLU H . . 5.000 4.381 2.813 4.930 . 0 0 "[ . 1]" 1
798 1 63 GLU HA 1 64 ALA H . . 4.000 2.434 2.202 2.694 . 0 0 "[ . 1]" 1
799 1 63 GLU QB 1 64 ALA H . . 4.600 3.403 2.199 4.081 . 0 0 "[ . 1]" 1
800 1 63 GLU QG 1 64 ALA H . . 6.000 3.232 1.960 4.356 . 0 0 "[ . 1]" 1
801 1 64 ALA HA 1 65 ARG H . . 4.000 2.637 2.191 3.642 . 0 0 "[ . 1]" 1
802 1 64 ALA HA 1 66 GLU H . . 4.000 3.867 2.951 4.000 . 0 0 "[ . 1]" 1
803 1 64 ALA MB 1 65 ARG H . . 6.000 3.041 2.081 3.793 . 0 0 "[ . 1]" 1
804 1 64 ALA MB 1 66 GLU H . . 6.000 3.696 2.235 4.905 . 0 0 "[ . 1]" 1
805 1 65 ARG H 1 65 ARG HB2 . . 4.000 2.515 2.021 3.282 . 0 0 "[ . 1]" 1
806 1 65 ARG H 1 65 ARG HB3 . . 4.000 3.391 2.506 4.017 0.017 10 0 "[ . 1]" 1
807 1 65 ARG H 1 66 GLU H . . 4.000 2.890 2.344 3.684 . 0 0 "[ . 1]" 1
808 1 65 ARG HA 1 66 GLU H . . 4.000 3.571 3.313 3.650 . 0 0 "[ . 1]" 1
809 1 65 ARG HB2 1 66 GLU H . . 4.000 3.289 2.267 3.991 . 0 0 "[ . 1]" 1
810 1 65 ARG HB3 1 66 GLU H . . 4.000 2.895 2.254 3.847 . 0 0 "[ . 1]" 1
811 1 65 ARG QB 1 67 ILE MD . . 7.000 4.393 3.492 5.214 . 0 0 "[ . 1]" 1
812 1 65 ARG QG 1 66 GLU H . . 6.000 4.267 3.541 4.765 . 0 0 "[ . 1]" 1
813 1 66 GLU H 1 67 ILE H . . 3.000 2.716 2.316 2.951 . 0 0 "[ . 1]" 1
814 1 66 GLU H 1 67 ILE HA . . 5.000 4.798 4.207 5.045 0.045 9 0 "[ . 1]" 1
815 1 66 GLU H 1 67 ILE MG . . 6.000 4.240 3.372 4.925 . 0 0 "[ . 1]" 1
816 1 66 GLU HA 1 67 ILE H . . 4.000 2.760 2.468 3.646 . 0 0 "[ . 1]" 1
817 1 66 GLU QB 1 67 ILE H . . 5.600 3.849 2.212 4.112 . 0 0 "[ . 1]" 1
818 1 66 GLU QG 1 67 ILE H . . 6.000 4.135 3.707 4.446 . 0 0 "[ . 1]" 1
819 1 67 ILE H 1 67 ILE HG12 . . 5.000 4.107 1.949 4.994 . 0 0 "[ . 1]" 1
820 1 67 ILE H 1 67 ILE HG13 . . 5.000 4.027 2.083 4.813 . 0 0 "[ . 1]" 1
821 1 67 ILE H 1 68 LYS H . . 5.000 4.170 2.574 4.674 . 0 0 "[ . 1]" 1
822 1 67 ILE HA 1 68 LYS H . . 5.000 2.849 2.179 3.596 . 0 0 "[ . 1]" 1
823 1 67 ILE HA 1 69 SER H . . 5.000 4.547 3.641 5.189 0.189 10 0 "[ . 1]" 1
824 1 67 ILE HB 1 68 LYS H . . 5.000 3.558 1.953 4.421 . 0 0 "[ . 1]" 1
825 1 67 ILE HB 1 69 SER H . . 5.000 4.544 3.312 5.025 0.025 7 0 "[ . 1]" 1
826 1 67 ILE QG 1 68 LYS H . . 6.000 2.396 1.907 3.651 . 0 0 "[ . 1]" 1
827 1 67 ILE QG 1 68 LYS QB . . 6.600 4.195 2.548 4.973 . 0 0 "[ . 1]" 1
828 1 67 ILE HG12 1 69 SER H . . 5.000 3.369 2.570 4.935 . 0 0 "[ . 1]" 1
829 1 67 ILE HG13 1 69 SER H . . 5.000 3.059 1.943 4.391 . 0 0 "[ . 1]" 1
830 1 67 ILE MG 1 68 LYS H . . 6.000 3.097 1.887 4.205 . 0 0 "[ . 1]" 1
831 1 67 ILE MG 1 69 SER H . . 6.000 3.690 2.092 4.974 . 0 0 "[ . 1]" 1
832 1 67 ILE MD 1 69 SER H . . 6.000 3.644 2.039 4.788 . 0 0 "[ . 1]" 1
833 1 68 LYS H 1 69 SER H . . 5.000 2.242 1.834 3.097 . 0 0 "[ . 1]" 1
834 1 68 LYS HA 1 69 SER H . . 4.000 3.066 2.577 3.591 . 0 0 "[ . 1]" 1
835 1 68 LYS HA 1 69 SER QB . . 5.600 4.500 3.927 5.084 . 0 0 "[ . 1]" 1
836 1 68 LYS QG 1 69 SER H . . 6.000 3.751 1.982 4.575 . 0 0 "[ . 1]" 1
837 1 68 LYS QG 1 70 ARG QB . . 7.000 4.554 3.656 5.539 . 0 0 "[ . 1]" 1
838 1 69 SER H 1 70 ARG H . . 5.000 3.886 2.759 4.620 . 0 0 "[ . 1]" 1
839 1 69 SER HA 1 70 ARG H . . 4.000 2.885 2.217 3.648 . 0 0 "[ . 1]" 1
840 1 69 SER QB 1 70 ARG H . . 5.600 2.803 1.984 4.105 . 0 0 "[ . 1]" 1
841 1 69 SER QB 1 70 ARG HA . . 5.600 4.042 3.796 4.530 . 0 0 "[ . 1]" 1
842 1 70 ARG H 1 70 ARG HB2 . . 4.000 3.059 2.363 3.785 . 0 0 "[ . 1]" 1
843 1 70 ARG H 1 70 ARG HB3 . . 4.000 3.491 3.114 4.025 0.025 6 0 "[ . 1]" 1
844 1 70 ARG H 1 71 ARG H . . 5.000 3.989 2.397 4.521 . 0 0 "[ . 1]" 1
845 1 70 ARG HA 1 71 ARG H . . 4.000 2.520 2.268 3.650 . 0 0 "[ . 1]" 1
846 1 70 ARG HB2 1 71 ARG H . . 5.000 4.114 3.151 4.720 . 0 0 "[ . 1]" 1
847 1 70 ARG HB3 1 71 ARG H . . 5.000 3.450 2.070 4.537 . 0 0 "[ . 1]" 1
848 1 70 ARG QG 1 71 ARG HA . . 6.000 4.568 3.825 5.105 . 0 0 "[ . 1]" 1
849 1 71 ARG H 1 71 ARG HB2 . . 4.000 3.050 2.284 3.989 . 0 0 "[ . 1]" 1
850 1 71 ARG H 1 71 ARG HB3 . . 4.000 3.244 2.844 3.736 . 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 30
_Distance_constraint_stats_list.Viol_count 87
_Distance_constraint_stats_list.Viol_total 14.230
_Distance_constraint_stats_list.Viol_max 0.112
_Distance_constraint_stats_list.Viol_rms 0.0116
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0164
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 ALA 0.227 0.070 5 0 "[ . 1]"
1 10 GLU 0.179 0.041 7 0 "[ . 1]"
1 11 VAL 0.045 0.014 8 0 "[ . 1]"
1 12 ILE 0.049 0.030 5 0 "[ . 1]"
1 13 GLU 0.038 0.028 5 0 "[ . 1]"
1 25 THR 0.148 0.032 7 0 "[ . 1]"
1 27 VAL 0.406 0.112 6 0 "[ . 1]"
1 28 LYS 0.087 0.030 5 0 "[ . 1]"
1 29 VAL 0.170 0.027 1 0 "[ . 1]"
1 30 ARG 0.179 0.041 7 0 "[ . 1]"
1 31 ILE 0.055 0.020 9 0 "[ . 1]"
1 39 ARG 0.055 0.020 9 0 "[ . 1]"
1 41 ILE 0.170 0.027 1 0 "[ . 1]"
1 43 ARG 0.406 0.112 6 0 "[ . 1]"
1 45 VAL 0.148 0.032 7 0 "[ . 1]"
1 50 ARG 0.106 0.031 6 0 "[ . 1]"
1 53 ASP 0.152 0.031 6 0 "[ . 1]"
1 55 LEU 0.227 0.070 5 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 ALA O 1 55 LEU N . 2.700 3.000 2.878 2.745 2.992 . 0 0 "[ . 1]" 2
2 1 9 ALA O 1 55 LEU H . . 2.000 1.971 1.818 2.070 0.070 5 0 "[ . 1]" 2
3 1 10 GLU O 1 30 ARG N . 2.700 3.000 2.762 2.689 2.868 0.011 7 0 "[ . 1]" 2
4 1 10 GLU O 1 30 ARG H . . 2.000 1.806 1.759 1.893 0.041 7 0 "[ . 1]" 2
5 1 13 GLU O 1 28 LYS N . 2.700 3.000 2.848 2.698 2.987 0.002 7 0 "[ . 1]" 2
6 1 13 GLU O 1 28 LYS H . . 2.000 1.897 1.772 2.002 0.028 5 0 "[ . 1]" 2
7 1 25 THR O 1 45 VAL N . 2.700 3.000 2.929 2.828 3.003 0.003 3 0 "[ . 1]" 2
8 1 25 THR O 1 45 VAL H . . 2.000 1.978 1.934 2.032 0.032 7 0 "[ . 1]" 2
9 1 27 VAL O 1 43 ARG N . 2.700 3.000 2.817 2.761 2.961 . 0 0 "[ . 1]" 2
10 1 27 VAL O 1 43 ARG H . . 2.000 2.039 2.011 2.112 0.112 6 0 "[ . 1]" 2
11 1 12 ILE N 1 28 LYS O . 2.700 3.000 2.904 2.745 2.990 . 0 0 "[ . 1]" 2
12 1 12 ILE H 1 28 LYS O . . 2.000 1.953 1.810 2.030 0.030 5 0 "[ . 1]" 2
13 1 29 VAL O 1 41 ILE N . 2.700 3.000 2.810 2.713 2.930 . 0 0 "[ . 1]" 2
14 1 29 VAL O 1 41 ILE H . . 2.000 1.874 1.776 1.996 0.024 1 0 "[ . 1]" 2
15 1 10 GLU N 1 30 ARG O . 2.700 3.000 2.775 2.690 2.953 0.010 5 0 "[ . 1]" 2
16 1 10 GLU H 1 30 ARG O . . 2.000 1.876 1.762 1.996 0.038 5 0 "[ . 1]" 2
17 1 31 ILE N 1 39 ARG O . 2.700 3.000 2.822 2.691 2.866 0.009 3 0 "[ . 1]" 2
18 1 31 ILE H 1 39 ARG O . . 2.000 1.967 1.806 2.020 0.020 9 0 "[ . 1]" 2
19 1 29 VAL N 1 41 ILE O . 2.700 3.000 2.856 2.753 2.930 . 0 0 "[ . 1]" 2
20 1 29 VAL H 1 41 ILE O . . 2.000 2.003 1.912 2.027 0.027 1 0 "[ . 1]" 2
21 1 27 VAL N 1 43 ARG O . 2.700 3.000 2.880 2.826 2.937 . 0 0 "[ . 1]" 2
22 1 27 VAL H 1 43 ARG O . . 2.000 1.920 1.845 2.009 0.009 3 0 "[ . 1]" 2
23 1 25 THR N 1 45 VAL O . 2.700 3.000 2.719 2.668 2.896 0.032 10 0 "[ . 1]" 2
24 1 25 THR H 1 45 VAL O . . 2.000 1.894 1.802 2.006 0.006 5 0 "[ . 1]" 2
25 1 50 ARG O 1 53 ASP N . 2.700 3.000 2.962 2.899 3.003 0.003 8 0 "[ . 1]" 2
26 1 50 ARG O 1 53 ASP H . . 2.000 2.002 1.945 2.031 0.031 6 0 "[ . 1]" 2
27 1 11 VAL N 1 53 ASP O . 2.700 3.000 2.925 2.894 2.978 . 0 0 "[ . 1]" 2
28 1 11 VAL H 1 53 ASP O . . 2.000 1.990 1.954 2.014 0.014 8 0 "[ . 1]" 2
29 1 9 ALA N 1 55 LEU O . 2.700 3.000 2.726 2.666 2.798 0.034 10 0 "[ . 1]" 2
30 1 9 ALA H 1 55 LEU O . . 2.000 1.941 1.825 2.003 0.003 6 0 "[ . 1]" 2
stop_
save_
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