NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
535863 |
2lqj   |
18316 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lqj
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 1094
_Distance_constraint_stats_list.Viol_count 1988
_Distance_constraint_stats_list.Viol_total 1492.131
_Distance_constraint_stats_list.Viol_max 1.652
_Distance_constraint_stats_list.Viol_rms 0.0386
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0500
_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 1 VAL 0.419 0.117 14 0 "[ . 1 .]"
1 2 GLU 0.559 0.119 14 0 "[ . 1 .]"
1 3 ASP 1.122 0.227 5 0 "[ . 1 .]"
1 4 GLU 2.823 0.227 5 0 "[ . 1 .]"
1 5 GLY 3.682 0.226 3 0 "[ . 1 .]"
1 6 LEU 2.726 0.120 6 0 "[ . 1 .]"
1 7 GLN 1.453 0.138 5 0 "[ . 1 .]"
1 8 PRO 0.517 0.085 5 0 "[ . 1 .]"
1 9 TYR 3.458 0.119 7 0 "[ . 1 .]"
1 10 GLN 1.507 0.096 8 0 "[ . 1 .]"
1 11 VAL 1.350 0.082 10 0 "[ . 1 .]"
1 12 ARG 0.105 0.039 8 0 "[ . 1 .]"
1 13 VAL 2.686 0.148 4 0 "[ . 1 .]"
1 14 ILE 0.728 0.078 2 0 "[ . 1 .]"
1 15 CYS 1.737 0.081 5 0 "[ . 1 .]"
1 16 ARG 1.770 0.100 7 0 "[ . 1 .]"
1 17 PRO 1.732 0.140 2 0 "[ . 1 .]"
1 18 LYS 0.822 0.068 4 0 "[ . 1 .]"
1 19 ALA 2.982 0.140 2 0 "[ . 1 .]"
1 20 GLU 2.040 0.095 13 0 "[ . 1 .]"
1 21 THR 2.138 0.081 3 0 "[ . 1 .]"
1 22 TYR 1.959 0.068 4 0 "[ . 1 .]"
1 23 VAL 2.118 0.095 13 0 "[ . 1 .]"
1 24 ARG 1.182 0.081 3 0 "[ . 1 .]"
1 25 ALA 1.198 0.099 2 0 "[ . 1 .]"
1 26 HIS 1.553 0.081 3 0 "[ . 1 .]"
1 27 ILE 1.237 0.058 5 0 "[ . 1 .]"
1 28 VAL 2.534 0.147 15 0 "[ . 1 .]"
1 29 GLN 3.533 0.106 6 0 "[ . 1 .]"
1 30 ARG 1.889 0.091 15 0 "[ . 1 .]"
1 31 THR 1.130 0.147 15 0 "[ . 1 .]"
1 32 SER 1.317 0.106 6 0 "[ . 1 .]"
1 33 SER 1.443 0.096 7 0 "[ . 1 .]"
1 34 ASN 1.303 0.092 12 0 "[ . 1 .]"
1 35 ASP 0.291 0.092 12 0 "[ . 1 .]"
1 36 ILE 0.558 0.127 4 0 "[ . 1 .]"
1 37 THR 0.053 0.023 14 0 "[ . 1 .]"
1 38 LEU 0.924 0.141 7 0 "[ . 1 .]"
1 39 ARG 1.231 0.104 14 0 "[ . 1 .]"
1 40 GLY 2.173 0.104 14 0 "[ . 1 .]"
1 41 ILE 0.719 0.083 14 0 "[ . 1 .]"
1 42 ARG 0.191 0.037 11 0 "[ . 1 .]"
1 43 THR 0.633 0.107 4 0 "[ . 1 .]"
1 44 GLY 0.586 0.082 9 0 "[ . 1 .]"
1 45 PRO 3.788 0.467 14 0 "[ . 1 .]"
1 46 ALA 0.963 0.110 15 0 "[ . 1 .]"
1 47 GLY 6.341 0.467 14 0 "[ . 1 .]"
1 48 ASP 14.814 1.652 3 10 "[* +*-** *** * .]"
1 49 ASP 2.215 0.119 7 0 "[ . 1 .]"
1 50 ASN 20.052 1.652 3 10 "[* +*-** *** * .]"
1 51 ILE 2.360 0.208 4 0 "[ . 1 .]"
1 52 THR 0.755 0.096 12 0 "[ . 1 .]"
1 53 LEU 1.065 0.078 2 0 "[ . 1 .]"
1 54 THR 0.278 0.039 8 0 "[ . 1 .]"
1 55 ALA 0.082 0.039 8 0 "[ . 1 .]"
1 56 HIS 0.946 0.082 1 0 "[ . 1 .]"
1 57 LEU 0.963 0.141 7 0 "[ . 1 .]"
1 58 LEU 2.070 0.120 6 0 "[ . 1 .]"
1 59 MET 1.325 0.127 4 0 "[ . 1 .]"
1 60 VAL 1.011 0.089 10 0 "[ . 1 .]"
1 61 GLY 2.101 0.168 9 0 "[ . 1 .]"
1 62 HIS 1.876 0.168 9 0 "[ . 1 .]"
1 63 THR 3.451 0.102 3 0 "[ . 1 .]"
1 64 PRO 2.579 0.102 3 0 "[ . 1 .]"
1 65 ALA 1.852 0.087 1 0 "[ . 1 .]"
1 66 LYS 1.642 0.063 2 0 "[ . 1 .]"
1 67 LEU 1.050 0.072 14 0 "[ . 1 .]"
1 68 GLU 1.388 0.073 10 0 "[ . 1 .]"
1 69 ARG 1.459 0.069 7 0 "[ . 1 .]"
1 70 LEU 1.365 0.099 7 0 "[ . 1 .]"
1 71 VAL 1.665 0.066 4 0 "[ . 1 .]"
1 72 ALA 1.015 0.069 7 0 "[ . 1 .]"
1 73 GLU 3.938 0.160 9 0 "[ . 1 .]"
1 74 LEU 1.443 0.107 11 0 "[ . 1 .]"
1 75 SER 2.101 0.148 4 0 "[ . 1 .]"
1 76 LEU 1.122 0.116 5 0 "[ . 1 .]"
1 77 GLN 4.464 0.160 9 0 "[ . 1 .]"
1 78 PRO 0.438 0.079 14 0 "[ . 1 .]"
1 79 GLY 4.145 0.198 1 0 "[ . 1 .]"
1 80 VAL 3.058 0.198 1 0 "[ . 1 .]"
1 81 TYR 0.155 0.036 3 0 "[ . 1 .]"
1 82 ALA 1.283 0.100 7 0 "[ . 1 .]"
1 83 VAL 0.125 0.046 11 0 "[ . 1 .]"
1 84 HIS 0.600 0.075 5 0 "[ . 1 .]"
1 85 TRP 2.742 0.130 8 0 "[ . 1 .]"
1 86 TYR 1.876 0.130 8 0 "[ . 1 .]"
1 87 ALA 1.035 0.119 7 0 "[ . 1 .]"
1 88 GLY 1.335 0.138 5 0 "[ . 1 .]"
1 89 GLU 0.784 0.096 8 0 "[ . 1 .]"
1 90 HIS 0.830 0.084 13 0 "[ . 1 .]"
1 91 ALA 0.887 0.150 14 0 "[ . 1 .]"
1 92 GLN 0.694 0.150 14 0 "[ . 1 .]"
1 93 ALA 0.452 0.348 14 0 "[ . 1 .]"
1 94 GLU 0.421 0.348 14 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 1 VAL HA 1 2 GLU H . . 2.400 2.162 1.970 2.413 0.013 2 0 "[ . 1 .]" 1
2 1 1 VAL HB 1 2 GLU H . . 4.000 3.395 2.443 4.117 0.117 14 0 "[ . 1 .]" 1
3 1 1 VAL MG1 1 2 GLU H . . 5.400 3.745 2.618 4.259 . 0 0 "[ . 1 .]" 1
4 1 1 VAL MG2 1 2 GLU H . . 6.400 3.687 2.640 4.305 . 0 0 "[ . 1 .]" 1
5 1 2 GLU H 1 2 GLU HA . . 3.000 2.862 2.208 2.950 . 0 0 "[ . 1 .]" 1
6 1 2 GLU HA 1 3 ASP H . . 2.400 2.255 2.031 2.519 0.119 14 0 "[ . 1 .]" 1
7 1 2 GLU H 1 3 ASP H . . 4.800 4.051 2.547 4.559 . 0 0 "[ . 1 .]" 1
8 1 2 GLU QB 1 3 ASP H . . 5.400 3.202 2.368 3.952 . 0 0 "[ . 1 .]" 1
9 1 2 GLU QG 1 3 ASP H . . 5.400 4.095 2.465 4.966 . 0 0 "[ . 1 .]" 1
10 1 3 ASP H 1 3 ASP HA . . 3.000 2.748 2.158 2.942 . 0 0 "[ . 1 .]" 1
11 1 3 ASP H 1 3 ASP HB2 . . 4.000 2.802 2.345 3.605 . 0 0 "[ . 1 .]" 1
12 1 3 ASP H 1 3 ASP HB3 . . 4.000 3.704 2.892 4.048 0.048 9 0 "[ . 1 .]" 1
13 1 3 ASP HA 1 4 GLU H . . 2.400 2.333 2.026 2.627 0.227 5 0 "[ . 1 .]" 1
14 1 3 ASP H 1 4 GLU H . . 4.800 3.381 2.327 4.298 . 0 0 "[ . 1 .]" 1
15 1 3 ASP HB2 1 4 GLU H . . 4.800 4.306 3.784 4.525 . 0 0 "[ . 1 .]" 1
16 1 3 ASP HB3 1 4 GLU H . . 4.800 4.127 3.599 4.464 . 0 0 "[ . 1 .]" 1
17 1 4 GLU H 1 4 GLU HA . . 3.000 2.898 2.860 2.949 . 0 0 "[ . 1 .]" 1
18 1 4 GLU HA 1 5 GLY H . . 2.400 2.468 2.106 2.626 0.226 3 0 "[ . 1 .]" 1
19 1 4 GLU H 1 5 GLY H . . 4.800 2.708 1.950 3.673 . 0 0 "[ . 1 .]" 1
20 1 4 GLU QB 1 5 GLY H . . 4.600 3.728 3.596 3.838 . 0 0 "[ . 1 .]" 1
21 1 4 GLU QG 1 5 GLY H . . 5.800 4.260 3.658 4.696 . 0 0 "[ . 1 .]" 1
22 1 5 GLY H 1 5 GLY HA3 . . 3.000 2.550 2.378 2.667 . 0 0 "[ . 1 .]" 1
23 1 5 GLY H 1 5 GLY HA2 . . 2.800 2.893 2.856 2.912 0.112 14 0 "[ . 1 .]" 1
24 1 3 ASP HA 1 5 GLY H . . 4.800 3.442 2.936 4.094 . 0 0 "[ . 1 .]" 1
25 1 3 ASP HB2 1 5 GLY H . . 5.400 4.810 4.429 5.330 . 0 0 "[ . 1 .]" 1
26 1 3 ASP HB3 1 5 GLY H . . 5.400 4.004 3.371 5.437 0.037 13 0 "[ . 1 .]" 1
27 1 5 GLY H 1 7 GLN HE21 . . 6.000 5.029 3.772 6.034 0.034 11 0 "[ . 1 .]" 1
28 1 5 GLY H 1 7 GLN HE22 . . 6.000 5.301 3.885 6.010 0.010 15 0 "[ . 1 .]" 1
29 1 5 GLY HA2 1 6 LEU H . . 3.400 3.406 3.206 3.469 0.069 6 0 "[ . 1 .]" 1
30 1 5 GLY HA3 1 6 LEU H . . 3.600 2.785 2.534 3.297 . 0 0 "[ . 1 .]" 1
31 1 5 GLY H 1 6 LEU H . . 4.800 1.891 1.717 2.215 . 0 0 "[ . 1 .]" 1
32 1 6 LEU H 1 6 LEU HA . . 3.000 2.894 2.835 2.936 . 0 0 "[ . 1 .]" 1
33 1 6 LEU H 1 6 LEU HG . . 4.000 3.763 2.355 4.014 0.014 8 0 "[ . 1 .]" 1
34 1 6 LEU H 1 7 GLN HE21 . . 6.400 4.790 4.092 5.951 . 0 0 "[ . 1 .]" 1
35 1 6 LEU H 1 7 GLN HE22 . . 6.400 5.345 4.130 6.424 0.024 8 0 "[ . 1 .]" 1
36 1 3 ASP HA 1 6 LEU H . . 5.400 4.334 3.760 5.078 . 0 0 "[ . 1 .]" 1
37 1 3 ASP HB2 1 6 LEU H . . 5.800 5.140 4.354 5.858 0.058 10 0 "[ . 1 .]" 1
38 1 3 ASP HB3 1 6 LEU H . . 5.800 4.037 3.225 5.715 . 0 0 "[ . 1 .]" 1
39 1 4 GLU HB2 1 6 LEU H . . 6.000 5.810 5.270 6.078 0.078 13 0 "[ . 1 .]" 1
40 1 4 GLU HB3 1 6 LEU H . . 6.000 5.744 4.904 6.092 0.092 4 0 "[ . 1 .]" 1
41 1 6 LEU H 1 58 LEU HA . . 5.800 5.861 5.814 5.920 0.120 6 0 "[ . 1 .]" 1
42 1 6 LEU H 1 60 VAL HA . . 5.400 5.310 4.829 5.489 0.089 10 0 "[ . 1 .]" 1
43 1 6 LEU HA 1 7 GLN H . . 2.600 2.320 2.127 2.648 0.048 7 0 "[ . 1 .]" 1
44 1 6 LEU H 1 7 GLN H . . 4.800 4.276 3.691 4.467 . 0 0 "[ . 1 .]" 1
45 1 6 LEU QB 1 7 GLN H . . 5.400 2.738 2.019 3.466 . 0 0 "[ . 1 .]" 1
46 1 6 LEU HG 1 7 GLN H . . 4.800 4.425 4.026 4.864 0.064 5 0 "[ . 1 .]" 1
47 1 7 GLN H 1 7 GLN HA . . 3.000 2.902 2.873 2.965 . 0 0 "[ . 1 .]" 1
48 1 7 GLN H 1 7 GLN HB3 . . 4.400 3.463 2.485 3.693 . 0 0 "[ . 1 .]" 1
49 1 7 GLN H 1 7 GLN HB2 . . 4.400 2.446 2.306 2.793 . 0 0 "[ . 1 .]" 1
50 1 7 GLN H 1 59 MET H . . 3.000 2.833 2.524 3.010 0.010 3 0 "[ . 1 .]" 1
51 1 7 GLN H 1 60 VAL H . . 5.800 4.907 4.596 5.149 . 0 0 "[ . 1 .]" 1
52 1 7 GLN H 1 61 GLY H . 4.000 5.200 4.063 3.900 4.402 0.100 14 0 "[ . 1 .]" 1
53 1 7 GLN H 1 60 VAL HA . . 5.000 3.894 3.352 4.279 . 0 0 "[ . 1 .]" 1
54 1 7 GLN H 1 59 MET HA . . 5.000 4.617 4.260 4.871 . 0 0 "[ . 1 .]" 1
55 1 7 GLN H 1 58 LEU HA . . 4.800 4.192 3.842 4.398 . 0 0 "[ . 1 .]" 1
56 1 7 GLN H 1 9 TYR QE . . 6.800 4.142 3.345 4.787 . 0 0 "[ . 1 .]" 1
57 1 7 GLN HA 1 8 PRO HD2 . . 3.000 2.199 2.023 2.544 . 0 0 "[ . 1 .]" 1
58 1 7 GLN HA 1 8 PRO HD3 . . 3.000 2.139 1.883 2.280 . 0 0 "[ . 1 .]" 1
59 1 7 GLN H 1 8 PRO HD2 . . 5.400 4.961 4.775 5.258 . 0 0 "[ . 1 .]" 1
60 1 7 GLN H 1 8 PRO HD3 . . 5.400 4.484 4.166 4.761 . 0 0 "[ . 1 .]" 1
61 1 8 PRO HA 1 9 TYR H . . 2.400 2.024 1.964 2.104 . 0 0 "[ . 1 .]" 1
62 1 8 PRO HD2 1 9 TYR H . . 5.400 5.269 5.067 5.402 0.002 9 0 "[ . 1 .]" 1
63 1 8 PRO HD3 1 9 TYR H . . 5.400 5.422 5.310 5.485 0.085 5 0 "[ . 1 .]" 1
64 1 9 TYR H 1 9 TYR HA . . 3.000 2.946 2.922 2.969 . 0 0 "[ . 1 .]" 1
65 1 9 TYR H 1 9 TYR HB3 . . 4.000 3.761 3.651 3.845 . 0 0 "[ . 1 .]" 1
66 1 9 TYR H 1 9 TYR HB2 . . 3.200 2.616 2.451 2.757 . 0 0 "[ . 1 .]" 1
67 1 9 TYR H 1 57 LEU H . . 3.600 3.046 2.817 3.283 . 0 0 "[ . 1 .]" 1
68 1 9 TYR H 1 58 LEU H . . 5.200 4.635 4.355 4.774 . 0 0 "[ . 1 .]" 1
69 1 9 TYR H 1 59 MET H . . 5.200 4.223 3.933 4.522 . 0 0 "[ . 1 .]" 1
70 1 9 TYR H 1 58 LEU HA . . 3.200 3.264 3.219 3.307 0.107 7 0 "[ . 1 .]" 1
71 1 9 TYR H 1 57 LEU HA . . 5.200 4.662 4.392 4.802 . 0 0 "[ . 1 .]" 1
72 1 9 TYR H 1 56 HIS HA . . 5.200 4.635 4.412 4.936 . 0 0 "[ . 1 .]" 1
73 1 9 TYR H 1 88 GLY H . . 5.000 4.563 3.682 5.099 0.099 13 0 "[ . 1 .]" 1
74 1 9 TYR H 1 87 ALA HA . . 5.200 5.039 4.930 5.210 0.010 7 0 "[ . 1 .]" 1
75 1 9 TYR HA 1 10 GLN H . . 2.400 2.233 2.166 2.421 0.021 5 0 "[ . 1 .]" 1
76 1 9 TYR H 1 10 GLN H . . 4.800 4.385 4.271 4.510 . 0 0 "[ . 1 .]" 1
77 1 9 TYR HB3 1 10 GLN H . . 3.200 2.888 2.403 3.129 . 0 0 "[ . 1 .]" 1
78 1 9 TYR HB2 1 10 GLN H . . 4.400 3.970 3.669 4.080 . 0 0 "[ . 1 .]" 1
79 1 10 GLN H 1 10 GLN HA . . 3.000 2.923 2.873 2.959 . 0 0 "[ . 1 .]" 1
80 1 10 GLN H 1 10 GLN HB3 . . 4.000 3.509 3.064 3.805 . 0 0 "[ . 1 .]" 1
81 1 10 GLN H 1 10 GLN HB2 . . 4.000 3.172 2.489 3.927 . 0 0 "[ . 1 .]" 1
82 1 10 GLN H 1 86 TYR H . . 3.400 2.886 2.779 3.117 . 0 0 "[ . 1 .]" 1
83 1 10 GLN H 1 87 ALA H . . 5.200 4.796 4.673 4.893 . 0 0 "[ . 1 .]" 1
84 1 10 GLN H 1 88 GLY H . . 5.000 4.312 3.831 5.016 0.016 13 0 "[ . 1 .]" 1
85 1 10 GLN H 1 87 ALA HA . . 3.600 3.478 3.203 3.622 0.022 9 0 "[ . 1 .]" 1
86 1 10 GLN H 1 86 TYR HA . . 5.200 4.735 4.566 4.894 . 0 0 "[ . 1 .]" 1
87 1 10 GLN H 1 85 TRP HA . . 5.000 4.640 4.510 4.889 . 0 0 "[ . 1 .]" 1
88 1 10 GLN H 1 86 TYR QE . . 7.200 6.704 6.154 7.295 0.095 15 0 "[ . 1 .]" 1
89 1 10 GLN H 1 86 TYR QD . . 7.200 4.632 4.052 5.172 . 0 0 "[ . 1 .]" 1
90 1 10 GLN H 1 86 TYR HB2 . . 5.800 4.781 2.936 5.316 . 0 0 "[ . 1 .]" 1
91 1 10 GLN H 1 86 TYR HB3 . . 5.200 3.951 3.552 5.211 0.011 5 0 "[ . 1 .]" 1
92 1 10 GLN H 1 85 TRP HB2 . . 6.000 4.070 3.689 4.598 . 0 0 "[ . 1 .]" 1
93 1 10 GLN H 1 85 TRP HB3 . . 6.000 5.517 5.239 6.015 0.015 8 0 "[ . 1 .]" 1
94 1 10 GLN H 1 56 HIS HA . . 5.200 4.763 4.555 4.887 . 0 0 "[ . 1 .]" 1
95 1 10 GLN H 1 57 LEU H . . 5.200 4.680 4.399 4.804 . 0 0 "[ . 1 .]" 1
96 1 10 GLN HA 1 11 VAL H . . 2.400 2.053 1.988 2.141 . 0 0 "[ . 1 .]" 1
97 1 10 GLN H 1 11 VAL H . . 4.800 4.152 4.007 4.250 . 0 0 "[ . 1 .]" 1
98 1 10 GLN HB2 1 11 VAL H . . 4.000 3.693 3.155 4.075 0.075 15 0 "[ . 1 .]" 1
99 1 10 GLN HB3 1 11 VAL H . . 4.000 3.681 3.107 4.081 0.081 12 0 "[ . 1 .]" 1
100 1 10 GLN QG 1 11 VAL H . . 5.800 4.284 4.012 4.920 . 0 0 "[ . 1 .]" 1
101 1 11 VAL H 1 11 VAL HA . . 3.000 2.930 2.901 2.959 . 0 0 "[ . 1 .]" 1
102 1 11 VAL H 1 11 VAL HB . . 3.200 2.648 2.556 3.102 . 0 0 "[ . 1 .]" 1
103 1 11 VAL H 1 55 ALA H . . 3.400 3.052 2.933 3.214 . 0 0 "[ . 1 .]" 1
104 1 11 VAL H 1 56 HIS H . . 5.800 4.832 4.644 4.940 . 0 0 "[ . 1 .]" 1
105 1 11 VAL H 1 57 LEU H . . 5.200 4.148 3.779 4.516 . 0 0 "[ . 1 .]" 1
106 1 11 VAL H 1 56 HIS HA . . 4.000 3.578 3.183 3.823 . 0 0 "[ . 1 .]" 1
107 1 11 VAL H 1 55 ALA HA . . 5.200 4.645 4.553 4.783 . 0 0 "[ . 1 .]" 1
108 1 11 VAL H 1 54 THR HA . . 4.800 4.333 4.147 4.573 . 0 0 "[ . 1 .]" 1
109 1 11 VAL H 1 55 ALA MB . . 6.400 3.192 2.966 3.435 . 0 0 "[ . 1 .]" 1
110 1 11 VAL H 1 86 TYR H . . 5.200 4.806 4.638 4.886 . 0 0 "[ . 1 .]" 1
111 1 11 VAL H 1 85 TRP HA . . 5.200 4.762 4.601 4.905 . 0 0 "[ . 1 .]" 1
112 1 11 VAL HA 1 12 ARG H . . 2.400 2.138 2.082 2.211 . 0 0 "[ . 1 .]" 1
113 1 11 VAL H 1 12 ARG H . . 4.800 4.211 4.064 4.327 . 0 0 "[ . 1 .]" 1
114 1 11 VAL HB 1 12 ARG H . . 4.600 4.289 4.209 4.377 . 0 0 "[ . 1 .]" 1
115 1 11 VAL MG1 1 12 ARG H . . 5.800 3.097 2.872 4.105 . 0 0 "[ . 1 .]" 1
116 1 11 VAL MG2 1 12 ARG H . . 6.400 4.078 2.787 4.250 . 0 0 "[ . 1 .]" 1
117 1 12 ARG H 1 12 ARG HA . . 3.000 2.913 2.886 2.927 . 0 0 "[ . 1 .]" 1
118 1 12 ARG H 1 84 HIS H . . 3.400 3.216 3.061 3.407 0.007 12 0 "[ . 1 .]" 1
119 1 12 ARG H 1 85 TRP H . . 5.200 4.725 4.571 4.820 . 0 0 "[ . 1 .]" 1
120 1 12 ARG H 1 86 TYR H . . 5.200 4.450 4.105 4.828 . 0 0 "[ . 1 .]" 1
121 1 12 ARG H 1 85 TRP HA . . 3.200 2.813 2.590 2.942 . 0 0 "[ . 1 .]" 1
122 1 12 ARG H 1 84 HIS HA . . 5.200 4.907 4.821 5.020 . 0 0 "[ . 1 .]" 1
123 1 12 ARG H 1 83 VAL HA . . 5.400 4.928 4.821 5.154 . 0 0 "[ . 1 .]" 1
124 1 12 ARG H 1 55 ALA H . . 5.200 4.760 4.576 4.913 . 0 0 "[ . 1 .]" 1
125 1 12 ARG H 1 54 THR HA . . 5.200 4.403 4.244 4.669 . 0 0 "[ . 1 .]" 1
126 1 12 ARG H 1 85 TRP HB2 . . 5.000 4.737 4.308 5.013 0.013 8 0 "[ . 1 .]" 1
127 1 12 ARG H 1 85 TRP HB3 . . 5.800 4.018 3.623 4.478 . 0 0 "[ . 1 .]" 1
128 1 12 ARG H 1 84 HIS HB2 . . 6.000 5.022 3.506 5.816 . 0 0 "[ . 1 .]" 1
129 1 12 ARG H 1 84 HIS HB3 . . 6.000 4.462 4.004 5.172 . 0 0 "[ . 1 .]" 1
130 1 12 ARG HA 1 13 VAL H . . 2.400 2.075 1.984 2.249 . 0 0 "[ . 1 .]" 1
131 1 12 ARG H 1 13 VAL H . . 4.800 4.190 4.097 4.288 . 0 0 "[ . 1 .]" 1
132 1 12 ARG QB 1 13 VAL H . . 5.400 3.558 3.012 3.892 . 0 0 "[ . 1 .]" 1
133 1 13 VAL H 1 13 VAL HA . . 3.000 2.915 2.898 2.929 . 0 0 "[ . 1 .]" 1
134 1 13 VAL H 1 13 VAL HB . . 3.400 3.302 3.131 3.396 . 0 0 "[ . 1 .]" 1
135 1 13 VAL H 1 53 LEU H . . 3.400 3.057 2.795 3.157 . 0 0 "[ . 1 .]" 1
136 1 13 VAL H 1 54 THR H . . 5.000 4.864 4.669 4.966 . 0 0 "[ . 1 .]" 1
137 1 13 VAL H 1 55 ALA H . . 5.000 4.289 4.088 4.613 . 0 0 "[ . 1 .]" 1
138 1 13 VAL H 1 54 THR HA . . 3.600 3.464 3.219 3.628 0.028 9 0 "[ . 1 .]" 1
139 1 13 VAL H 1 53 LEU HA . . 5.000 4.755 4.666 4.850 . 0 0 "[ . 1 .]" 1
140 1 13 VAL H 1 52 THR HA . . 5.000 4.412 4.245 4.567 . 0 0 "[ . 1 .]" 1
141 1 13 VAL H 1 52 THR HB . . 5.800 5.834 5.810 5.862 0.062 10 0 "[ . 1 .]" 1
142 1 13 VAL H 1 84 HIS H . . 5.200 4.841 4.730 4.931 . 0 0 "[ . 1 .]" 1
143 1 13 VAL H 1 83 VAL HA . . 5.200 4.693 4.595 4.842 . 0 0 "[ . 1 .]" 1
144 1 13 VAL HA 1 14 ILE H . . 2.400 2.106 2.034 2.216 . 0 0 "[ . 1 .]" 1
145 1 13 VAL H 1 14 ILE H . . 4.800 4.312 4.257 4.408 . 0 0 "[ . 1 .]" 1
146 1 13 VAL HB 1 14 ILE H . . 5.000 4.051 3.944 4.198 . 0 0 "[ . 1 .]" 1
147 1 13 VAL MG1 1 14 ILE H . . 5.400 4.129 3.959 4.231 . 0 0 "[ . 1 .]" 1
148 1 13 VAL MG2 1 14 ILE H . . 6.400 2.652 2.487 2.890 . 0 0 "[ . 1 .]" 1
149 1 14 ILE H 1 14 ILE HA . . 3.000 2.918 2.902 2.936 . 0 0 "[ . 1 .]" 1
150 1 14 ILE H 1 14 ILE HB . . 3.000 2.635 2.468 3.037 0.037 14 0 "[ . 1 .]" 1
151 1 14 ILE H 1 82 ALA H . . 3.600 3.175 3.022 3.297 . 0 0 "[ . 1 .]" 1
152 1 14 ILE H 1 82 ALA MB . . 5.800 3.875 3.585 4.068 . 0 0 "[ . 1 .]" 1
153 1 14 ILE H 1 83 VAL H . . 5.400 4.779 4.676 4.929 . 0 0 "[ . 1 .]" 1
154 1 14 ILE H 1 84 HIS H . . 5.400 4.856 4.482 5.154 . 0 0 "[ . 1 .]" 1
155 1 14 ILE H 1 83 VAL HA . . 3.400 3.091 2.920 3.267 . 0 0 "[ . 1 .]" 1
156 1 14 ILE H 1 82 ALA HA . . 5.400 4.904 4.772 5.089 . 0 0 "[ . 1 .]" 1
157 1 14 ILE H 1 80 VAL HA . . 5.800 5.220 4.906 5.514 . 0 0 "[ . 1 .]" 1
158 1 14 ILE H 1 81 TYR HB2 . . 5.800 4.507 4.207 4.756 . 0 0 "[ . 1 .]" 1
159 1 14 ILE H 1 81 TYR HB3 . . 6.200 5.941 5.623 6.236 0.036 3 0 "[ . 1 .]" 1
160 1 14 ILE HA 1 15 CYS H . . 2.400 2.216 2.096 2.277 . 0 0 "[ . 1 .]" 1
161 1 14 ILE H 1 15 CYS H . . 4.800 4.334 4.247 4.441 . 0 0 "[ . 1 .]" 1
162 1 14 ILE HB 1 15 CYS H . . 5.000 4.256 4.167 4.307 . 0 0 "[ . 1 .]" 1
163 1 14 ILE QG 1 15 CYS H . . 5.800 4.092 2.861 4.484 . 0 0 "[ . 1 .]" 1
164 1 15 CYS H 1 15 CYS HA . . 3.000 2.893 2.876 2.918 . 0 0 "[ . 1 .]" 1
165 1 15 CYS H 1 51 ILE H . . 3.400 2.798 2.706 2.980 . 0 0 "[ . 1 .]" 1
166 1 15 CYS H 1 52 THR H . . 5.200 4.904 4.742 4.976 . 0 0 "[ . 1 .]" 1
167 1 15 CYS H 1 53 LEU H . . 5.200 4.344 4.197 4.545 . 0 0 "[ . 1 .]" 1
168 1 15 CYS H 1 52 THR HA . . 4.000 3.307 3.096 3.442 . 0 0 "[ . 1 .]" 1
169 1 15 CYS H 1 51 ILE HA . . 5.200 4.795 4.694 4.907 . 0 0 "[ . 1 .]" 1
170 1 15 CYS H 1 50 ASN HA . . 5.200 4.405 4.253 4.767 . 0 0 "[ . 1 .]" 1
171 1 15 CYS H 1 80 VAL HA . . 5.200 4.613 4.529 4.685 . 0 0 "[ . 1 .]" 1
172 1 15 CYS H 1 81 TYR H . . 5.200 4.444 4.374 4.492 . 0 0 "[ . 1 .]" 1
173 1 15 CYS H 1 82 ALA H . . 6.400 5.342 5.208 5.477 . 0 0 "[ . 1 .]" 1
174 1 15 CYS H 1 20 GLU H . . 6.000 6.034 5.960 6.073 0.073 13 0 "[ . 1 .]" 1
175 1 15 CYS H 1 50 ASN HB2 . . 4.400 3.773 3.452 4.417 0.017 8 0 "[ . 1 .]" 1
176 1 15 CYS H 1 50 ASN HB3 . . 4.400 4.392 3.955 4.481 0.081 5 0 "[ . 1 .]" 1
177 1 15 CYS HA 1 16 ARG H . . 2.400 2.365 2.253 2.415 0.015 13 0 "[ . 1 .]" 1
178 1 15 CYS H 1 16 ARG H . . 4.800 4.266 4.219 4.325 . 0 0 "[ . 1 .]" 1
179 1 15 CYS HB3 1 16 ARG H . . 3.600 3.614 3.564 3.645 0.045 10 0 "[ . 1 .]" 1
180 1 15 CYS HB2 1 16 ARG H . . 2.800 2.283 2.148 2.375 . 0 0 "[ . 1 .]" 1
181 1 16 ARG H 1 16 ARG HA . . 3.000 2.844 2.809 2.876 . 0 0 "[ . 1 .]" 1
182 1 16 ARG H 1 81 TYR H . . 4.800 4.292 4.221 4.412 . 0 0 "[ . 1 .]" 1
183 1 16 ARG H 1 81 TYR QE . . 5.000 2.980 2.550 3.540 . 0 0 "[ . 1 .]" 1
184 1 16 ARG H 1 81 TYR QD . . 5.400 3.258 2.883 3.478 . 0 0 "[ . 1 .]" 1
185 1 16 ARG H 1 82 ALA H . . 6.400 6.465 6.429 6.500 0.100 7 0 "[ . 1 .]" 1
186 1 16 ARG H 1 80 VAL HA . . 3.600 3.467 3.178 3.623 0.023 6 0 "[ . 1 .]" 1
187 1 16 ARG H 1 80 VAL H . . 5.200 4.819 4.646 4.950 . 0 0 "[ . 1 .]" 1
188 1 16 ARG H 1 79 GLY HA2 . . 5.400 3.969 3.788 4.129 . 0 0 "[ . 1 .]" 1
189 1 16 ARG H 1 79 GLY HA3 . . 6.000 3.786 3.345 4.199 . 0 0 "[ . 1 .]" 1
190 1 16 ARG H 1 19 ALA H . . 5.000 4.401 4.148 4.602 . 0 0 "[ . 1 .]" 1
191 1 16 ARG H 1 19 ALA MB . . 5.400 2.825 2.455 3.192 . 0 0 "[ . 1 .]" 1
192 1 16 ARG H 1 20 GLU H . . 6.000 5.023 4.688 5.314 . 0 0 "[ . 1 .]" 1
193 1 16 ARG HA 1 17 PRO HD2 . . 3.000 2.774 2.292 3.030 0.030 10 0 "[ . 1 .]" 1
194 1 16 ARG HA 1 17 PRO HD3 . . 3.000 2.149 1.934 2.623 . 0 0 "[ . 1 .]" 1
195 1 16 ARG H 1 17 PRO HD2 . . 5.400 5.249 4.883 5.430 0.030 12 0 "[ . 1 .]" 1
196 1 16 ARG H 1 17 PRO HD3 . . 5.400 4.867 4.658 5.217 . 0 0 "[ . 1 .]" 1
197 1 17 PRO HA 1 18 LYS H . . 3.600 3.499 3.356 3.571 . 0 0 "[ . 1 .]" 1
198 1 17 PRO HD2 1 18 LYS H . . 3.200 2.866 2.131 3.208 0.008 2 0 "[ . 1 .]" 1
199 1 17 PRO HB2 1 18 LYS H . . 3.600 2.899 2.417 3.426 . 0 0 "[ . 1 .]" 1
200 1 17 PRO HG2 1 18 LYS H . . 4.400 3.868 2.623 4.406 0.006 2 0 "[ . 1 .]" 1
201 1 18 LYS H 1 18 LYS HA . . 2.800 2.835 2.815 2.854 0.054 14 0 "[ . 1 .]" 1
202 1 18 LYS H 1 18 LYS HB3 . . 3.600 3.529 2.516 3.621 0.021 3 0 "[ . 1 .]" 1
203 1 18 LYS H 1 18 LYS HB2 . . 3.600 2.475 2.413 2.579 . 0 0 "[ . 1 .]" 1
204 1 16 ARG HA 1 18 LYS H . . 5.000 4.284 3.816 4.616 . 0 0 "[ . 1 .]" 1
205 1 16 ARG QG 1 18 LYS H . . 5.800 4.080 2.436 5.162 . 0 0 "[ . 1 .]" 1
206 1 16 ARG QD 1 18 LYS H . . 6.000 4.421 3.448 5.339 . 0 0 "[ . 1 .]" 1
207 1 18 LYS H 1 20 GLU H . . 4.800 4.078 3.845 4.272 . 0 0 "[ . 1 .]" 1
208 1 18 LYS HA 1 19 ALA H . . 3.600 3.354 3.262 3.454 . 0 0 "[ . 1 .]" 1
209 1 18 LYS H 1 19 ALA H . . 2.800 2.506 2.449 2.587 . 0 0 "[ . 1 .]" 1
210 1 18 LYS HB3 1 19 ALA H . . 4.400 4.039 3.060 4.277 . 0 0 "[ . 1 .]" 1
211 1 18 LYS HB2 1 19 ALA H . . 4.400 3.336 2.928 4.094 . 0 0 "[ . 1 .]" 1
212 1 19 ALA H 1 19 ALA HA . . 2.800 2.876 2.859 2.895 0.095 15 0 "[ . 1 .]" 1
213 1 16 ARG HA 1 19 ALA H . . 5.400 4.548 4.192 4.718 . 0 0 "[ . 1 .]" 1
214 1 16 ARG QD 1 19 ALA H . . 6.000 4.993 3.926 5.634 . 0 0 "[ . 1 .]" 1
215 1 16 ARG QG 1 19 ALA H . . 5.800 4.152 1.936 5.195 . 0 0 "[ . 1 .]" 1
216 1 17 PRO HA 1 19 ALA H . . 3.600 3.692 3.632 3.740 0.140 2 0 "[ . 1 .]" 1
217 1 17 PRO HD2 1 19 ALA H . . 5.800 4.617 4.204 4.970 . 0 0 "[ . 1 .]" 1
218 1 19 ALA H 1 21 THR H . . 4.200 4.037 3.821 4.235 0.035 14 0 "[ . 1 .]" 1
219 1 19 ALA HA 1 20 GLU H . . 3.600 3.456 3.420 3.515 . 0 0 "[ . 1 .]" 1
220 1 19 ALA H 1 20 GLU H . . 2.800 2.120 2.003 2.213 . 0 0 "[ . 1 .]" 1
221 1 19 ALA MB 1 20 GLU H . . 6.000 2.642 2.525 2.806 . 0 0 "[ . 1 .]" 1
222 1 20 GLU H 1 20 GLU HA . . 2.800 2.716 2.684 2.745 . 0 0 "[ . 1 .]" 1
223 1 18 LYS HA 1 20 GLU H . . 4.400 4.280 3.975 4.428 0.028 7 0 "[ . 1 .]" 1
224 1 17 PRO HA 1 20 GLU H . . 4.400 3.254 2.961 3.673 . 0 0 "[ . 1 .]" 1
225 1 20 GLU H 1 22 TYR H . . 4.800 4.573 4.443 4.732 . 0 0 "[ . 1 .]" 1
226 1 20 GLU HA 1 21 THR H . . 3.600 3.465 3.443 3.499 . 0 0 "[ . 1 .]" 1
227 1 20 GLU H 1 21 THR H . . 2.800 2.850 2.817 2.880 0.080 13 0 "[ . 1 .]" 1
228 1 20 GLU QB 1 21 THR H . . 5.800 2.649 2.364 3.572 . 0 0 "[ . 1 .]" 1
229 1 21 THR H 1 21 THR HA . . 2.800 2.787 2.765 2.807 0.007 7 0 "[ . 1 .]" 1
230 1 21 THR H 1 21 THR HB . . 4.400 2.782 2.514 3.592 . 0 0 "[ . 1 .]" 1
231 1 18 LYS HA 1 21 THR H . . 4.600 4.004 3.800 4.476 . 0 0 "[ . 1 .]" 1
232 1 19 ALA HA 1 21 THR H . . 4.400 4.019 3.830 4.218 . 0 0 "[ . 1 .]" 1
233 1 21 THR H 1 23 VAL H . . 4.200 3.876 3.751 4.043 . 0 0 "[ . 1 .]" 1
234 1 21 THR HA 1 22 TYR H . . 3.600 3.571 3.543 3.596 . 0 0 "[ . 1 .]" 1
235 1 21 THR H 1 22 TYR H . . 2.800 2.816 2.776 2.842 0.042 12 0 "[ . 1 .]" 1
236 1 21 THR HB 1 22 TYR H . . 4.400 2.798 2.425 3.441 . 0 0 "[ . 1 .]" 1
237 1 22 TYR H 1 22 TYR HA . . 2.800 2.856 2.849 2.864 0.064 15 0 "[ . 1 .]" 1
238 1 19 ALA HA 1 22 TYR H . . 3.500 3.513 3.409 3.551 0.051 15 0 "[ . 1 .]" 1
239 1 18 LYS HA 1 22 TYR H . . 5.800 5.635 5.422 5.868 0.068 4 0 "[ . 1 .]" 1
240 1 20 GLU HA 1 22 TYR H . . 4.600 4.576 4.484 4.629 0.029 15 0 "[ . 1 .]" 1
241 1 22 TYR H 1 24 ARG H . . 4.200 4.130 3.968 4.233 0.033 7 0 "[ . 1 .]" 1
242 1 22 TYR HA 1 23 VAL H . . 3.600 3.399 3.367 3.438 . 0 0 "[ . 1 .]" 1
243 1 22 TYR H 1 23 VAL H . . 2.800 2.314 2.240 2.436 . 0 0 "[ . 1 .]" 1
244 1 22 TYR QB 1 23 VAL H . . 5.800 3.715 3.635 3.797 . 0 0 "[ . 1 .]" 1
245 1 23 VAL H 1 23 VAL HA . . 2.800 2.825 2.801 2.842 0.042 4 0 "[ . 1 .]" 1
246 1 23 VAL H 1 23 VAL HB . . 2.600 2.452 2.323 2.547 . 0 0 "[ . 1 .]" 1
247 1 23 VAL H 1 23 VAL MG2 . . 4.800 2.352 2.225 2.493 . 0 0 "[ . 1 .]" 1
248 1 23 VAL H 1 53 LEU MD2 . . 6.000 4.614 4.080 5.989 . 0 0 "[ . 1 .]" 1
249 1 23 VAL H 1 53 LEU MD1 . . 6.000 5.343 4.048 5.729 . 0 0 "[ . 1 .]" 1
250 1 20 GLU HA 1 23 VAL H . . 3.500 3.519 3.364 3.595 0.095 13 0 "[ . 1 .]" 1
251 1 19 ALA HA 1 23 VAL H . . 4.200 4.133 4.040 4.203 0.003 4 0 "[ . 1 .]" 1
252 1 21 THR HA 1 23 VAL H . . 4.400 4.433 4.403 4.453 0.053 1 0 "[ . 1 .]" 1
253 1 23 VAL H 1 25 ALA H . . 4.200 4.068 3.905 4.161 . 0 0 "[ . 1 .]" 1
254 1 23 VAL HA 1 24 ARG H . . 3.600 3.533 3.465 3.600 0.000 3 0 "[ . 1 .]" 1
255 1 23 VAL H 1 24 ARG H . . 2.800 2.596 2.428 2.720 . 0 0 "[ . 1 .]" 1
256 1 23 VAL HB 1 24 ARG H . . 3.600 2.699 2.489 2.885 . 0 0 "[ . 1 .]" 1
257 1 23 VAL MG1 1 24 ARG H . . 5.400 3.315 3.066 3.460 . 0 0 "[ . 1 .]" 1
258 1 23 VAL MG2 1 24 ARG H . . 6.400 3.952 3.788 4.078 . 0 0 "[ . 1 .]" 1
259 1 24 ARG H 1 24 ARG HA . . 2.800 2.806 2.780 2.829 0.029 5 0 "[ . 1 .]" 1
260 1 21 THR HA 1 24 ARG H . . 4.000 3.984 3.805 4.081 0.081 3 0 "[ . 1 .]" 1
261 1 20 GLU HA 1 24 ARG H . . 4.200 3.542 3.374 3.704 . 0 0 "[ . 1 .]" 1
262 1 22 TYR HA 1 24 ARG H . . 4.400 4.228 4.070 4.404 0.004 9 0 "[ . 1 .]" 1
263 1 24 ARG H 1 26 HIS H . . 4.200 4.029 3.844 4.165 . 0 0 "[ . 1 .]" 1
264 1 24 ARG HA 1 25 ALA H . . 3.600 3.516 3.458 3.554 . 0 0 "[ . 1 .]" 1
265 1 24 ARG H 1 25 ALA H . . 2.800 2.674 2.530 2.780 . 0 0 "[ . 1 .]" 1
266 1 24 ARG HB3 1 25 ALA H . . 4.800 2.655 2.338 3.992 . 0 0 "[ . 1 .]" 1
267 1 24 ARG HB2 1 25 ALA H . . 4.800 3.812 3.599 4.084 . 0 0 "[ . 1 .]" 1
268 1 25 ALA H 1 25 ALA HA . . 2.800 2.825 2.807 2.854 0.054 2 0 "[ . 1 .]" 1
269 1 22 TYR HA 1 25 ALA H . . 3.500 3.253 2.945 3.457 . 0 0 "[ . 1 .]" 1
270 1 21 THR HA 1 25 ALA H . . 4.800 4.569 4.203 4.798 . 0 0 "[ . 1 .]" 1
271 1 23 VAL HA 1 25 ALA H . . 4.400 4.402 4.310 4.438 0.038 2 0 "[ . 1 .]" 1
272 1 25 ALA H 1 27 ILE H . . 4.200 4.045 3.989 4.130 . 0 0 "[ . 1 .]" 1
273 1 25 ALA HA 1 26 HIS H . . 3.600 3.499 3.434 3.543 . 0 0 "[ . 1 .]" 1
274 1 25 ALA H 1 26 HIS H . . 2.800 2.571 2.486 2.677 . 0 0 "[ . 1 .]" 1
275 1 25 ALA MB 1 26 HIS H . . 6.000 2.599 2.450 2.802 . 0 0 "[ . 1 .]" 1
276 1 26 HIS H 1 26 HIS HA . . 2.800 2.812 2.802 2.836 0.036 2 0 "[ . 1 .]" 1
277 1 26 HIS H 1 26 HIS HB2 . . 4.400 2.523 2.416 2.618 . 0 0 "[ . 1 .]" 1
278 1 26 HIS H 1 26 HIS HB3 . . 4.400 2.527 2.461 2.602 . 0 0 "[ . 1 .]" 1
279 1 23 VAL HA 1 26 HIS H . . 3.500 3.360 3.182 3.536 0.036 7 0 "[ . 1 .]" 1
280 1 22 TYR HA 1 26 HIS H . . 4.200 3.975 3.733 4.207 0.007 2 0 "[ . 1 .]" 1
281 1 24 ARG HA 1 26 HIS H . . 4.400 4.343 4.123 4.434 0.034 13 0 "[ . 1 .]" 1
282 1 26 HIS H 1 28 VAL H . . 4.200 4.181 4.119 4.219 0.019 1 0 "[ . 1 .]" 1
283 1 26 HIS HA 1 27 ILE H . . 3.600 3.514 3.487 3.537 . 0 0 "[ . 1 .]" 1
284 1 26 HIS H 1 27 ILE H . . 2.800 2.582 2.395 2.649 . 0 0 "[ . 1 .]" 1
285 1 26 HIS HB2 1 27 ILE H . . 4.800 3.882 3.842 3.930 . 0 0 "[ . 1 .]" 1
286 1 26 HIS HB3 1 27 ILE H . . 4.800 2.648 2.546 2.718 . 0 0 "[ . 1 .]" 1
287 1 27 ILE H 1 27 ILE HA . . 2.800 2.798 2.782 2.811 0.011 1 0 "[ . 1 .]" 1
288 1 27 ILE H 1 27 ILE HB . . 4.400 2.572 2.522 2.615 . 0 0 "[ . 1 .]" 1
289 1 24 ARG HA 1 27 ILE H . . 3.500 3.407 3.259 3.511 0.011 11 0 "[ . 1 .]" 1
290 1 23 VAL HA 1 27 ILE H . . 4.200 3.973 3.800 4.108 . 0 0 "[ . 1 .]" 1
291 1 25 ALA HA 1 27 ILE H . . 4.400 4.378 4.292 4.443 0.043 3 0 "[ . 1 .]" 1
292 1 27 ILE H 1 29 GLN H . . 4.200 4.184 4.121 4.234 0.034 11 0 "[ . 1 .]" 1
293 1 27 ILE HA 1 28 VAL H . . 3.600 3.531 3.492 3.567 . 0 0 "[ . 1 .]" 1
294 1 27 ILE H 1 28 VAL H . . 2.800 2.763 2.664 2.826 0.026 4 0 "[ . 1 .]" 1
295 1 27 ILE HB 1 28 VAL H . . 4.400 2.576 2.499 2.724 . 0 0 "[ . 1 .]" 1
296 1 28 VAL H 1 28 VAL HA . . 2.800 2.820 2.806 2.826 0.026 1 0 "[ . 1 .]" 1
297 1 28 VAL H 1 28 VAL HB . . 3.600 2.773 2.567 3.675 0.075 4 0 "[ . 1 .]" 1
298 1 25 ALA HA 1 28 VAL H . . 3.500 3.471 3.375 3.536 0.036 2 0 "[ . 1 .]" 1
299 1 24 ARG HA 1 28 VAL H . . 4.200 4.201 4.062 4.251 0.051 5 0 "[ . 1 .]" 1
300 1 26 HIS HA 1 28 VAL H . . 4.400 4.438 4.398 4.457 0.057 1 0 "[ . 1 .]" 1
301 1 28 VAL H 1 30 ARG H . . 4.200 4.125 3.989 4.201 0.001 14 0 "[ . 1 .]" 1
302 1 28 VAL HA 1 29 GLN H . . 3.600 3.485 3.444 3.534 . 0 0 "[ . 1 .]" 1
303 1 28 VAL H 1 29 GLN H . . 2.800 2.663 2.616 2.749 . 0 0 "[ . 1 .]" 1
304 1 28 VAL HB 1 29 GLN H . . 4.800 3.441 2.627 4.169 . 0 0 "[ . 1 .]" 1
305 1 29 GLN H 1 29 GLN HA . . 2.800 2.847 2.828 2.862 0.062 1 0 "[ . 1 .]" 1
306 1 29 GLN H 1 29 GLN HB3 . . 3.600 3.382 2.389 3.633 0.033 11 0 "[ . 1 .]" 1
307 1 29 GLN H 1 29 GLN HB2 . . 3.600 2.561 2.210 3.640 0.040 1 0 "[ . 1 .]" 1
308 1 26 HIS HA 1 29 GLN H . . 3.500 3.460 3.267 3.581 0.081 3 0 "[ . 1 .]" 1
309 1 25 ALA HA 1 29 GLN H . . 4.200 4.220 4.101 4.299 0.099 2 0 "[ . 1 .]" 1
310 1 27 ILE HA 1 29 GLN H . . 4.400 4.419 4.313 4.458 0.058 5 0 "[ . 1 .]" 1
311 1 29 GLN H 1 31 THR H . . 4.200 4.039 3.975 4.152 . 0 0 "[ . 1 .]" 1
312 1 29 GLN HA 1 30 ARG H . . 3.600 3.500 3.409 3.545 . 0 0 "[ . 1 .]" 1
313 1 29 GLN H 1 30 ARG H . . 2.800 2.546 2.398 2.651 . 0 0 "[ . 1 .]" 1
314 1 29 GLN HB3 1 30 ARG H . . 4.400 3.598 2.704 4.130 . 0 0 "[ . 1 .]" 1
315 1 29 GLN HB2 1 30 ARG H . . 4.400 3.030 2.551 4.026 . 0 0 "[ . 1 .]" 1
316 1 30 ARG H 1 30 ARG HA . . 2.800 2.830 2.811 2.874 0.074 10 0 "[ . 1 .]" 1
317 1 27 ILE HA 1 30 ARG H . . 3.500 3.529 3.401 3.555 0.055 3 0 "[ . 1 .]" 1
318 1 26 HIS HA 1 30 ARG H . . 4.200 3.909 3.770 4.112 . 0 0 "[ . 1 .]" 1
319 1 28 VAL HA 1 30 ARG H . . 4.400 4.385 4.170 4.477 0.077 7 0 "[ . 1 .]" 1
320 1 30 ARG H 1 32 SER H . . 4.200 4.076 3.929 4.202 0.002 9 0 "[ . 1 .]" 1
321 1 30 ARG HA 1 31 THR H . . 3.600 3.507 3.446 3.553 . 0 0 "[ . 1 .]" 1
322 1 30 ARG H 1 31 THR H . . 2.800 2.539 2.350 2.654 . 0 0 "[ . 1 .]" 1
323 1 30 ARG QB 1 31 THR H . . 5.800 2.824 2.526 3.213 . 0 0 "[ . 1 .]" 1
324 1 31 THR H 1 31 THR HA . . 2.800 2.815 2.799 2.836 0.036 13 0 "[ . 1 .]" 1
325 1 31 THR H 1 31 THR HB . . 4.000 3.570 3.525 3.629 . 0 0 "[ . 1 .]" 1
326 1 28 VAL HA 1 31 THR H . . 3.500 3.550 3.472 3.647 0.147 15 0 "[ . 1 .]" 1
327 1 27 ILE HA 1 31 THR H . . 4.200 3.830 3.731 3.975 . 0 0 "[ . 1 .]" 1
328 1 29 GLN HA 1 31 THR H . . 4.400 4.367 4.260 4.435 0.035 9 0 "[ . 1 .]" 1
329 1 31 THR H 1 33 SER H . . 4.200 4.065 3.937 4.227 0.027 7 0 "[ . 1 .]" 1
330 1 31 THR HA 1 32 SER H . . 3.600 3.539 3.490 3.569 . 0 0 "[ . 1 .]" 1
331 1 31 THR H 1 32 SER H . . 2.800 2.560 2.348 2.712 . 0 0 "[ . 1 .]" 1
332 1 31 THR HB 1 32 SER H . . 4.800 3.624 3.532 3.725 . 0 0 "[ . 1 .]" 1
333 1 31 THR MG 1 32 SER H . . 6.000 4.055 3.980 4.107 . 0 0 "[ . 1 .]" 1
334 1 32 SER H 1 32 SER HA . . 2.800 2.793 2.755 2.814 0.014 9 0 "[ . 1 .]" 1
335 1 28 VAL HA 1 32 SER H . . 4.200 3.962 3.831 4.056 . 0 0 "[ . 1 .]" 1
336 1 29 GLN HA 1 32 SER H . . 3.500 3.561 3.514 3.606 0.106 6 0 "[ . 1 .]" 1
337 1 30 ARG HA 1 32 SER H . . 4.400 4.355 4.105 4.445 0.045 1 0 "[ . 1 .]" 1
338 1 32 SER H 1 34 ASN H . . 4.200 4.019 3.842 4.129 . 0 0 "[ . 1 .]" 1
339 1 32 SER HA 1 33 SER H . . 3.600 3.524 3.455 3.581 . 0 0 "[ . 1 .]" 1
340 1 32 SER H 1 33 SER H . . 2.800 2.658 2.568 2.766 . 0 0 "[ . 1 .]" 1
341 1 32 SER QB 1 33 SER H . . 5.400 2.929 2.469 3.563 . 0 0 "[ . 1 .]" 1
342 1 33 SER H 1 33 SER HA . . 2.800 2.834 2.808 2.874 0.074 1 0 "[ . 1 .]" 1
343 1 30 ARG HA 1 33 SER H . . 3.500 3.429 3.181 3.591 0.091 15 0 "[ . 1 .]" 1
344 1 29 GLN HA 1 33 SER H . . 4.200 4.221 4.108 4.296 0.096 7 0 "[ . 1 .]" 1
345 1 31 THR HA 1 33 SER H . . 4.400 4.256 4.122 4.414 0.014 3 0 "[ . 1 .]" 1
346 1 33 SER H 1 35 ASP H . 4.000 5.000 4.321 4.028 4.665 . 0 0 "[ . 1 .]" 1
347 1 33 SER HA 1 34 ASN H . . 3.600 3.511 3.425 3.582 . 0 0 "[ . 1 .]" 1
348 1 33 SER H 1 34 ASN H . . 2.800 2.526 2.332 2.635 . 0 0 "[ . 1 .]" 1
349 1 33 SER QB 1 34 ASN H . . 5.800 3.037 2.624 3.543 . 0 0 "[ . 1 .]" 1
350 1 34 ASN H 1 34 ASN HA . . 2.800 2.874 2.856 2.885 0.085 11 0 "[ . 1 .]" 1
351 1 31 THR HA 1 34 ASN H . . 4.000 3.249 3.164 3.358 . 0 0 "[ . 1 .]" 1
352 1 30 ARG HA 1 34 ASN H . . 4.800 4.169 3.785 4.755 . 0 0 "[ . 1 .]" 1
353 1 32 SER HA 1 34 ASN H . . 5.000 4.282 3.818 4.663 . 0 0 "[ . 1 .]" 1
354 1 34 ASN H 1 36 ILE H . . 4.400 3.506 3.180 3.844 . 0 0 "[ . 1 .]" 1
355 1 34 ASN HA 1 35 ASP H . . 3.600 3.016 2.713 3.195 . 0 0 "[ . 1 .]" 1
356 1 34 ASN H 1 35 ASP H . . 2.800 2.681 2.420 2.892 0.092 12 0 "[ . 1 .]" 1
357 1 34 ASN HB3 1 35 ASP H . . 4.800 4.204 3.744 4.410 . 0 0 "[ . 1 .]" 1
358 1 34 ASN HB2 1 35 ASP H . . 4.800 4.122 3.687 4.401 . 0 0 "[ . 1 .]" 1
359 1 35 ASP H 1 35 ASP HA . . 2.800 2.294 2.252 2.357 . 0 0 "[ . 1 .]" 1
360 1 35 ASP H 1 35 ASP HB2 . . 4.400 3.639 3.523 3.774 . 0 0 "[ . 1 .]" 1
361 1 35 ASP H 1 35 ASP HB3 . . 4.400 4.174 4.103 4.221 . 0 0 "[ . 1 .]" 1
362 1 32 SER HA 1 35 ASP H . 4.000 5.200 4.257 3.953 4.797 0.047 5 0 "[ . 1 .]" 1
363 1 33 SER HA 1 35 ASP H . 3.600 5.000 3.868 3.737 4.042 . 0 0 "[ . 1 .]" 1
364 1 35 ASP HA 1 36 ILE H . . 3.600 2.930 2.679 3.101 . 0 0 "[ . 1 .]" 1
365 1 35 ASP H 1 36 ILE H . . 2.800 2.574 2.431 2.672 . 0 0 "[ . 1 .]" 1
366 1 36 ILE H 1 36 ILE HA . . 3.000 2.925 2.902 2.944 . 0 0 "[ . 1 .]" 1
367 1 34 ASN HA 1 36 ILE H . . 4.800 4.657 4.394 4.812 0.012 7 0 "[ . 1 .]" 1
368 1 36 ILE HA 1 37 THR H . . 2.400 2.178 2.113 2.240 . 0 0 "[ . 1 .]" 1
369 1 36 ILE H 1 37 THR H . . 4.800 4.381 4.216 4.543 . 0 0 "[ . 1 .]" 1
370 1 36 ILE HB 1 37 THR H . . 4.600 4.081 3.989 4.185 . 0 0 "[ . 1 .]" 1
371 1 37 THR H 1 37 THR HA . . 3.000 2.923 2.894 2.944 . 0 0 "[ . 1 .]" 1
372 1 37 THR H 1 37 THR HB . . 3.400 2.513 2.405 2.636 . 0 0 "[ . 1 .]" 1
373 1 37 THR H 1 58 LEU H . . 3.600 3.122 2.976 3.264 . 0 0 "[ . 1 .]" 1
374 1 37 THR H 1 59 MET H . . 5.800 4.840 4.684 4.958 . 0 0 "[ . 1 .]" 1
375 1 37 THR H 1 59 MET HA . . 4.000 3.234 2.922 3.473 . 0 0 "[ . 1 .]" 1
376 1 37 THR H 1 58 LEU HA . . 5.000 4.825 4.709 4.936 . 0 0 "[ . 1 .]" 1
377 1 37 THR H 1 57 LEU HA . . 5.000 4.964 4.887 5.023 0.023 14 0 "[ . 1 .]" 1
378 1 37 THR HA 1 38 LEU H . . 2.400 2.322 2.185 2.388 . 0 0 "[ . 1 .]" 1
379 1 37 THR H 1 38 LEU H . . 4.800 4.485 4.419 4.536 . 0 0 "[ . 1 .]" 1
380 1 37 THR HB 1 38 LEU H . . 5.400 3.944 3.809 4.140 . 0 0 "[ . 1 .]" 1
381 1 37 THR MG 1 38 LEU H . . 5.800 2.439 2.242 2.742 . 0 0 "[ . 1 .]" 1
382 1 38 LEU H 1 38 LEU HA . . 3.000 2.915 2.890 2.951 . 0 0 "[ . 1 .]" 1
383 1 38 LEU H 1 57 LEU HA . . 5.400 4.950 4.843 5.052 . 0 0 "[ . 1 .]" 1
384 1 38 LEU H 1 58 LEU H . . 5.400 4.756 4.639 4.902 . 0 0 "[ . 1 .]" 1
385 1 38 LEU HA 1 39 ARG H . . 2.400 2.154 2.079 2.228 . 0 0 "[ . 1 .]" 1
386 1 38 LEU H 1 39 ARG H . . 4.800 4.482 4.424 4.529 . 0 0 "[ . 1 .]" 1
387 1 38 LEU QB 1 39 ARG H . . 5.800 2.920 2.752 3.221 . 0 0 "[ . 1 .]" 1
388 1 39 ARG H 1 39 ARG HA . . 3.000 2.912 2.873 2.935 . 0 0 "[ . 1 .]" 1
389 1 39 ARG H 1 56 HIS H . . 5.200 4.296 3.962 4.450 . 0 0 "[ . 1 .]" 1
390 1 39 ARG H 1 58 LEU H . . 5.200 4.055 3.703 4.438 . 0 0 "[ . 1 .]" 1
391 1 39 ARG H 1 57 LEU HA . . 3.200 2.722 2.424 2.899 . 0 0 "[ . 1 .]" 1
392 1 39 ARG H 1 56 HIS HA . . 6.000 4.916 4.634 5.140 . 0 0 "[ . 1 .]" 1
393 1 39 ARG H 1 40 GLY HA2 . . 6.000 4.495 4.250 4.713 . 0 0 "[ . 1 .]" 1
394 1 39 ARG H 1 40 GLY HA3 . . 6.000 4.829 4.700 4.962 . 0 0 "[ . 1 .]" 1
395 1 39 ARG HA 1 40 GLY H . . 3.400 3.465 3.338 3.504 0.104 14 0 "[ . 1 .]" 1
396 1 39 ARG H 1 40 GLY H . . 2.600 2.121 1.933 2.294 . 0 0 "[ . 1 .]" 1
397 1 39 ARG QB 1 40 GLY H . . 4.600 2.505 2.120 3.304 . 0 0 "[ . 1 .]" 1
398 1 39 ARG QG 1 40 GLY H . . 5.800 4.000 3.640 4.799 . 0 0 "[ . 1 .]" 1
399 1 40 GLY H 1 40 GLY HA3 . . 3.000 2.845 2.805 2.911 . 0 0 "[ . 1 .]" 1
400 1 40 GLY H 1 40 GLY HA2 . . 2.800 2.734 2.634 2.790 . 0 0 "[ . 1 .]" 1
401 1 40 GLY H 1 56 HIS H . . 3.200 3.227 3.169 3.255 0.055 11 0 "[ . 1 .]" 1
402 1 40 GLY H 1 57 LEU HA . . 5.200 4.412 4.111 4.618 . 0 0 "[ . 1 .]" 1
403 1 40 GLY H 1 56 HIS HA . . 5.400 4.888 4.610 5.110 . 0 0 "[ . 1 .]" 1
404 1 40 GLY H 1 55 ALA HA . . 5.200 4.791 4.677 4.929 . 0 0 "[ . 1 .]" 1
405 1 38 LEU HA 1 40 GLY H . . 4.000 3.810 3.482 4.014 0.014 6 0 "[ . 1 .]" 1
406 1 40 GLY HA3 1 41 ILE H . . 2.600 2.644 2.583 2.683 0.083 14 0 "[ . 1 .]" 1
407 1 40 GLY HA2 1 41 ILE H . . 2.600 2.400 2.308 2.536 . 0 0 "[ . 1 .]" 1
408 1 40 GLY H 1 41 ILE H . . 4.800 4.242 4.183 4.290 . 0 0 "[ . 1 .]" 1
409 1 41 ILE H 1 41 ILE HA . . 3.000 2.930 2.921 2.947 . 0 0 "[ . 1 .]" 1
410 1 41 ILE H 1 41 ILE HB . . 3.200 2.784 2.689 2.850 . 0 0 "[ . 1 .]" 1
411 1 41 ILE H 1 56 HIS H . . 5.200 4.761 4.630 4.854 . 0 0 "[ . 1 .]" 1
412 1 41 ILE H 1 55 ALA HA . . 5.000 4.883 4.722 5.022 0.022 8 0 "[ . 1 .]" 1
413 1 41 ILE HA 1 42 ARG H . . 2.400 2.104 2.053 2.139 . 0 0 "[ . 1 .]" 1
414 1 41 ILE H 1 42 ARG H . . 4.800 4.102 3.926 4.211 . 0 0 "[ . 1 .]" 1
415 1 41 ILE HB 1 42 ARG H . . 5.000 4.259 4.168 4.317 . 0 0 "[ . 1 .]" 1
416 1 42 ARG H 1 42 ARG HA . . 3.000 2.927 2.896 2.953 . 0 0 "[ . 1 .]" 1
417 1 42 ARG H 1 42 ARG HB3 . . 4.000 2.956 2.381 3.737 . 0 0 "[ . 1 .]" 1
418 1 42 ARG H 1 42 ARG HB2 . . 4.000 2.728 2.463 2.942 . 0 0 "[ . 1 .]" 1
419 1 42 ARG H 1 54 THR H . . 3.400 3.271 3.045 3.430 0.030 2 0 "[ . 1 .]" 1
420 1 42 ARG H 1 55 ALA H . . 5.000 4.800 4.624 4.912 . 0 0 "[ . 1 .]" 1
421 1 42 ARG H 1 56 HIS H . . 5.000 4.101 3.895 4.458 . 0 0 "[ . 1 .]" 1
422 1 42 ARG H 1 55 ALA HA . . 3.600 3.374 2.881 3.534 . 0 0 "[ . 1 .]" 1
423 1 42 ARG H 1 54 THR HA . . 5.000 4.754 4.631 4.835 . 0 0 "[ . 1 .]" 1
424 1 42 ARG H 1 54 THR HB . . 5.000 3.407 2.900 5.034 0.034 14 0 "[ . 1 .]" 1
425 1 42 ARG H 1 53 LEU HA . . 5.000 4.782 4.576 4.899 . 0 0 "[ . 1 .]" 1
426 1 42 ARG HA 1 43 THR H . . 2.400 2.169 2.121 2.347 . 0 0 "[ . 1 .]" 1
427 1 42 ARG H 1 43 THR H . . 4.800 4.290 4.210 4.439 . 0 0 "[ . 1 .]" 1
428 1 42 ARG HB3 1 43 THR H . . 4.400 3.966 2.930 4.381 . 0 0 "[ . 1 .]" 1
429 1 42 ARG HB2 1 43 THR H . . 4.400 4.281 3.796 4.437 0.037 11 0 "[ . 1 .]" 1
430 1 43 THR H 1 43 THR HA . . 3.000 2.911 2.881 2.938 . 0 0 "[ . 1 .]" 1
431 1 43 THR H 1 43 THR HB . . 3.400 3.111 2.508 3.507 0.107 4 0 "[ . 1 .]" 1
432 1 43 THR H 1 53 LEU HA . . 5.200 4.692 4.455 4.823 . 0 0 "[ . 1 .]" 1
433 1 43 THR H 1 54 THR H . . 5.200 4.690 4.606 4.812 . 0 0 "[ . 1 .]" 1
434 1 43 THR HA 1 44 GLY H . . 2.400 2.165 2.065 2.250 . 0 0 "[ . 1 .]" 1
435 1 43 THR H 1 44 GLY H . . 4.800 4.328 4.134 4.443 . 0 0 "[ . 1 .]" 1
436 1 43 THR HB 1 44 GLY H . . 4.400 4.039 2.790 4.331 . 0 0 "[ . 1 .]" 1
437 1 43 THR MG 1 44 GLY H . . 6.000 3.871 2.868 4.343 . 0 0 "[ . 1 .]" 1
438 1 44 GLY H 1 44 GLY HA3 . . 3.000 2.614 2.545 2.640 . 0 0 "[ . 1 .]" 1
439 1 44 GLY H 1 44 GLY HA2 . . 3.000 2.916 2.897 2.938 . 0 0 "[ . 1 .]" 1
440 1 44 GLY H 1 52 THR H . . 3.600 3.038 2.873 3.199 . 0 0 "[ . 1 .]" 1
441 1 44 GLY H 1 53 LEU H . . 5.200 4.921 4.807 4.987 . 0 0 "[ . 1 .]" 1
442 1 44 GLY H 1 54 THR H . . 5.200 4.518 4.212 4.894 . 0 0 "[ . 1 .]" 1
443 1 44 GLY H 1 53 LEU HA . . 3.600 3.579 3.410 3.677 0.077 9 0 "[ . 1 .]" 1
444 1 44 GLY H 1 52 THR HA . . 5.200 4.787 4.641 4.992 . 0 0 "[ . 1 .]" 1
445 1 44 GLY H 1 51 ILE HA . . 5.000 4.711 4.450 4.963 . 0 0 "[ . 1 .]" 1
446 1 44 GLY H 1 51 ILE MD . . 5.800 4.221 3.616 5.140 . 0 0 "[ . 1 .]" 1
447 1 44 GLY H 1 51 ILE MG . . 5.800 4.084 2.449 5.144 . 0 0 "[ . 1 .]" 1
448 1 44 GLY HA2 1 45 PRO HD2 . . 3.200 2.213 2.091 2.332 . 0 0 "[ . 1 .]" 1
449 1 44 GLY HA2 1 45 PRO HD3 . . 3.200 2.401 2.106 2.605 . 0 0 "[ . 1 .]" 1
450 1 44 GLY H 1 45 PRO HD2 . . 4.800 4.791 4.674 4.882 0.082 9 0 "[ . 1 .]" 1
451 1 44 GLY H 1 45 PRO HD3 . . 5.400 4.753 4.363 5.101 . 0 0 "[ . 1 .]" 1
452 1 45 PRO HA 1 46 ALA H . . 2.600 2.230 2.170 2.310 . 0 0 "[ . 1 .]" 1
453 1 45 PRO HD2 1 46 ALA H . . 5.800 5.705 5.604 5.806 0.006 11 0 "[ . 1 .]" 1
454 1 45 PRO HD3 1 46 ALA H . . 5.800 5.548 5.395 5.675 . 0 0 "[ . 1 .]" 1
455 1 46 ALA H 1 46 ALA HA . . 3.000 2.927 2.890 2.942 . 0 0 "[ . 1 .]" 1
456 1 46 ALA H 1 50 ASN H . . 5.000 3.898 3.486 4.185 . 0 0 "[ . 1 .]" 1
457 1 46 ALA H 1 51 ILE H . . 5.400 4.210 3.973 4.634 . 0 0 "[ . 1 .]" 1
458 1 46 ALA H 1 52 THR H . . 4.800 3.864 3.570 4.472 . 0 0 "[ . 1 .]" 1
459 1 46 ALA H 1 51 ILE HA . . 3.000 2.302 1.897 3.009 0.009 14 0 "[ . 1 .]" 1
460 1 46 ALA H 1 50 ASN HA . . 6.000 4.816 4.673 4.953 . 0 0 "[ . 1 .]" 1
461 1 46 ALA H 1 50 ASN HB2 . . 5.400 4.086 3.867 4.207 . 0 0 "[ . 1 .]" 1
462 1 46 ALA H 1 50 ASN HB3 . . 5.400 5.425 5.264 5.510 0.110 15 0 "[ . 1 .]" 1
463 1 46 ALA HA 1 47 GLY H . . 3.400 3.205 2.416 3.415 0.015 5 0 "[ . 1 .]" 1
464 1 46 ALA H 1 47 GLY H . . 4.000 2.345 2.095 3.149 . 0 0 "[ . 1 .]" 1
465 1 46 ALA MB 1 47 GLY H . . 6.400 3.329 3.011 3.702 . 0 0 "[ . 1 .]" 1
466 1 47 GLY H 1 47 GLY HA2 . . 2.600 2.572 2.432 2.676 0.076 9 0 "[ . 1 .]" 1
467 1 47 GLY H 1 47 GLY HA3 . . 2.800 2.857 2.825 2.895 0.095 2 0 "[ . 1 .]" 1
468 1 47 GLY H 1 50 ASN H . 4.000 5.000 4.052 3.904 4.511 0.096 14 0 "[ . 1 .]" 1
469 1 47 GLY H 1 50 ASN QB . . 6.400 5.116 4.693 5.529 . 0 0 "[ . 1 .]" 1
470 1 47 GLY H 1 50 ASN HD21 . . 6.000 5.322 3.161 6.044 0.044 6 0 "[ . 1 .]" 1
471 1 47 GLY H 1 50 ASN HD22 . . 6.000 4.927 3.910 5.651 . 0 0 "[ . 1 .]" 1
472 1 47 GLY H 1 51 ILE HA . . 6.000 4.611 4.134 5.406 . 0 0 "[ . 1 .]" 1
473 1 45 PRO HA 1 47 GLY H . . 5.000 3.851 3.569 4.631 . 0 0 "[ . 1 .]" 1
474 1 45 PRO QB 1 47 GLY H . 3.200 5.800 3.024 2.733 3.844 0.467 14 0 "[ . 1 .]" 1
475 1 47 GLY H 1 49 ASP H . 4.200 5.400 5.154 4.619 5.501 0.101 1 0 "[ . 1 .]" 1
476 1 47 GLY HA2 1 48 ASP H . . 3.600 3.440 3.246 3.568 . 0 0 "[ . 1 .]" 1
477 1 47 GLY HA3 1 48 ASP H . . 2.600 2.286 2.022 2.605 0.005 2 0 "[ . 1 .]" 1
478 1 47 GLY H 1 48 ASP H . 3.000 4.000 3.369 2.970 3.999 0.030 3 0 "[ . 1 .]" 1
479 1 48 ASP H 1 48 ASP HA . . 3.000 2.897 2.719 2.980 . 0 0 "[ . 1 .]" 1
480 1 48 ASP H 1 48 ASP HB2 . . 4.000 2.769 2.431 3.602 . 0 0 "[ . 1 .]" 1
481 1 48 ASP H 1 48 ASP HB3 . . 4.000 3.379 2.457 3.888 . 0 0 "[ . 1 .]" 1
482 1 48 ASP H 1 50 ASN H . 4.200 4.400 3.327 2.548 4.425 1.652 3 10 "[* +*-** *** * .]" 1
483 1 48 ASP H 1 50 ASN HD21 . . 6.400 4.615 3.497 5.655 . 0 0 "[ . 1 .]" 1
484 1 48 ASP H 1 50 ASN HD22 . . 6.400 3.550 2.567 4.246 . 0 0 "[ . 1 .]" 1
485 1 46 ALA HA 1 48 ASP H . 4.400 5.800 5.663 5.094 5.898 0.098 10 0 "[ . 1 .]" 1
486 1 46 ALA MB 1 48 ASP H . . 6.800 4.284 3.548 5.630 . 0 0 "[ . 1 .]" 1
487 1 48 ASP HA 1 49 ASP H . . 3.600 3.506 3.459 3.560 . 0 0 "[ . 1 .]" 1
488 1 48 ASP H 1 49 ASP H . 2.200 3.400 2.676 2.132 3.372 0.068 1 0 "[ . 1 .]" 1
489 1 48 ASP HB2 1 49 ASP H . . 3.600 2.485 1.797 3.489 . 0 0 "[ . 1 .]" 1
490 1 48 ASP HB3 1 49 ASP H . . 3.600 2.668 1.935 3.520 . 0 0 "[ . 1 .]" 1
491 1 49 ASP H 1 49 ASP HA . . 2.800 2.869 2.700 2.913 0.113 6 0 "[ . 1 .]" 1
492 1 49 ASP H 1 50 ASN HD21 . . 6.000 4.931 3.151 5.592 . 0 0 "[ . 1 .]" 1
493 1 49 ASP H 1 50 ASN HD22 . . 6.000 4.309 3.074 4.906 . 0 0 "[ . 1 .]" 1
494 1 47 GLY HA2 1 49 ASP H . . 5.800 5.801 5.372 5.919 0.119 7 0 "[ . 1 .]" 1
495 1 47 GLY HA3 1 49 ASP H . . 5.800 4.826 4.039 5.511 . 0 0 "[ . 1 .]" 1
496 1 49 ASP HA 1 50 ASN H . . 3.000 2.602 2.054 2.895 . 0 0 "[ . 1 .]" 1
497 1 49 ASP H 1 50 ASN H . 2.100 2.600 2.413 2.161 2.635 0.035 9 0 "[ . 1 .]" 1
498 1 49 ASP QB 1 50 ASN H . . 5.400 3.789 3.682 3.952 . 0 0 "[ . 1 .]" 1
499 1 50 ASN H 1 50 ASN HA . . 2.800 2.841 2.795 2.907 0.107 8 0 "[ . 1 .]" 1
500 1 50 ASN H 1 50 ASN HB3 . . 4.400 3.699 3.454 3.829 . 0 0 "[ . 1 .]" 1
501 1 50 ASN H 1 50 ASN HB2 . . 4.400 3.725 3.298 3.860 . 0 0 "[ . 1 .]" 1
502 1 50 ASN H 1 50 ASN HD21 . . 5.000 4.483 2.271 5.021 0.021 4 0 "[ . 1 .]" 1
503 1 50 ASN H 1 50 ASN HD22 . . 5.000 4.513 3.425 4.872 . 0 0 "[ . 1 .]" 1
504 1 16 ARG HA 1 50 ASN H . . 5.200 4.811 4.308 5.276 0.076 2 0 "[ . 1 .]" 1
505 1 15 CYS H 1 50 ASN H . . 6.800 6.805 6.743 6.833 0.033 10 0 "[ . 1 .]" 1
506 1 17 PRO HD2 1 50 ASN H . . 5.200 5.015 4.309 5.277 0.077 2 0 "[ . 1 .]" 1
507 1 17 PRO HD3 1 50 ASN H . . 5.200 3.690 2.958 4.149 . 0 0 "[ . 1 .]" 1
508 1 46 ALA MB 1 50 ASN H . . 5.800 4.199 3.532 5.710 . 0 0 "[ . 1 .]" 1
509 1 47 GLY HA2 1 50 ASN H . . 6.000 5.662 5.339 6.029 0.029 5 0 "[ . 1 .]" 1
510 1 47 GLY HA3 1 50 ASN H . . 6.000 4.972 3.888 5.833 . 0 0 "[ . 1 .]" 1
511 1 48 ASP HB2 1 50 ASN H . . 5.000 4.554 3.976 5.126 0.126 13 0 "[ . 1 .]" 1
512 1 48 ASP HB3 1 50 ASN H . . 5.000 4.769 3.911 5.162 0.162 8 0 "[ . 1 .]" 1
513 1 50 ASN HA 1 51 ILE H . . 2.600 2.135 1.992 2.365 . 0 0 "[ . 1 .]" 1
514 1 50 ASN H 1 51 ILE H . . 4.800 4.202 4.130 4.402 . 0 0 "[ . 1 .]" 1
515 1 50 ASN HB3 1 51 ILE H . . 3.000 3.153 2.941 3.208 0.208 4 0 "[ . 1 .]" 1
516 1 50 ASN HB2 1 51 ILE H . . 3.000 2.352 2.079 3.001 0.001 8 0 "[ . 1 .]" 1
517 1 51 ILE H 1 51 ILE HA . . 3.000 2.916 2.892 2.939 . 0 0 "[ . 1 .]" 1
518 1 51 ILE H 1 51 ILE HB . . 4.400 3.029 2.611 3.330 . 0 0 "[ . 1 .]" 1
519 1 16 ARG HA 1 51 ILE H . . 5.000 3.690 3.283 4.164 . 0 0 "[ . 1 .]" 1
520 1 15 CYS HA 1 51 ILE H . . 5.400 4.531 4.403 4.661 . 0 0 "[ . 1 .]" 1
521 1 14 ILE HA 1 51 ILE H . . 5.200 4.185 4.023 4.478 . 0 0 "[ . 1 .]" 1
522 1 45 PRO HA 1 51 ILE H . . 5.200 4.820 4.506 5.143 . 0 0 "[ . 1 .]" 1
523 1 46 ALA MB 1 51 ILE H . . 6.000 3.742 3.242 5.085 . 0 0 "[ . 1 .]" 1
524 1 51 ILE HA 1 52 THR H . . 2.400 2.253 2.152 2.332 . 0 0 "[ . 1 .]" 1
525 1 51 ILE H 1 52 THR H . . 4.800 4.281 4.183 4.344 . 0 0 "[ . 1 .]" 1
526 1 51 ILE HB 1 52 THR H . . 4.400 4.193 4.057 4.365 . 0 0 "[ . 1 .]" 1
527 1 51 ILE MG 1 52 THR H . . 5.800 3.285 2.468 3.886 . 0 0 "[ . 1 .]" 1
528 1 52 THR H 1 52 THR HA . . 3.000 2.916 2.897 2.930 . 0 0 "[ . 1 .]" 1
529 1 52 THR H 1 52 THR HB . . 3.400 2.663 2.521 2.931 . 0 0 "[ . 1 .]" 1
530 1 46 ALA MB 1 52 THR H . . 6.800 3.092 2.499 4.020 . 0 0 "[ . 1 .]" 1
531 1 45 PRO HA 1 52 THR H . . 4.000 3.616 3.446 3.961 . 0 0 "[ . 1 .]" 1
532 1 44 GLY HA2 1 52 THR H . . 5.400 4.753 4.631 4.906 . 0 0 "[ . 1 .]" 1
533 1 43 THR HA 1 52 THR H . . 5.200 4.708 4.508 5.007 . 0 0 "[ . 1 .]" 1
534 1 14 ILE HA 1 52 THR H . . 5.200 4.454 4.264 4.610 . 0 0 "[ . 1 .]" 1
535 1 52 THR HA 1 53 LEU H . . 2.400 2.073 2.001 2.125 . 0 0 "[ . 1 .]" 1
536 1 52 THR H 1 53 LEU H . . 4.800 4.272 4.157 4.336 . 0 0 "[ . 1 .]" 1
537 1 52 THR HB 1 53 LEU H . . 4.400 4.108 4.006 4.227 . 0 0 "[ . 1 .]" 1
538 1 52 THR MG 1 53 LEU H . . 6.000 2.979 2.604 3.967 . 0 0 "[ . 1 .]" 1
539 1 53 LEU H 1 53 LEU HA . . 3.000 2.930 2.908 2.949 . 0 0 "[ . 1 .]" 1
540 1 14 ILE HA 1 53 LEU H . . 3.400 3.433 3.298 3.478 0.078 2 0 "[ . 1 .]" 1
541 1 13 VAL HA 1 53 LEU H . . 5.200 4.720 4.546 4.834 . 0 0 "[ . 1 .]" 1
542 1 12 ARG HA 1 53 LEU H . . 5.200 4.446 4.085 4.593 . 0 0 "[ . 1 .]" 1
543 1 43 THR HA 1 53 LEU H . . 5.000 4.707 4.485 4.852 . 0 0 "[ . 1 .]" 1
544 1 53 LEU HA 1 54 THR H . . 2.400 2.153 2.114 2.200 . 0 0 "[ . 1 .]" 1
545 1 53 LEU H 1 54 THR H . . 4.800 4.243 4.134 4.376 . 0 0 "[ . 1 .]" 1
546 1 53 LEU QB 1 54 THR H . . 5.800 3.332 3.065 3.510 . 0 0 "[ . 1 .]" 1
547 1 54 THR H 1 54 THR HA . . 3.000 2.912 2.894 2.931 . 0 0 "[ . 1 .]" 1
548 1 54 THR H 1 54 THR HB . . 3.600 2.631 2.450 3.159 . 0 0 "[ . 1 .]" 1
549 1 43 THR HA 1 54 THR H . . 3.400 3.141 2.840 3.422 0.022 6 0 "[ . 1 .]" 1
550 1 42 ARG HA 1 54 THR H . . 5.200 4.720 4.625 4.830 . 0 0 "[ . 1 .]" 1
551 1 41 ILE HA 1 54 THR H . . 5.200 4.692 4.368 4.891 . 0 0 "[ . 1 .]" 1
552 1 12 ARG HA 1 54 THR H . . 5.200 4.467 4.260 4.730 . 0 0 "[ . 1 .]" 1
553 1 54 THR HA 1 55 ALA H . . 2.400 2.112 2.004 2.156 . 0 0 "[ . 1 .]" 1
554 1 54 THR H 1 55 ALA H . . 4.800 4.104 4.007 4.154 . 0 0 "[ . 1 .]" 1
555 1 54 THR HB 1 55 ALA H . . 5.000 4.302 4.214 4.369 . 0 0 "[ . 1 .]" 1
556 1 54 THR MG 1 55 ALA H . . 6.000 3.323 3.107 4.151 . 0 0 "[ . 1 .]" 1
557 1 55 ALA H 1 55 ALA HA . . 3.000 2.912 2.900 2.926 . 0 0 "[ . 1 .]" 1
558 1 12 ARG HA 1 55 ALA H . . 3.600 3.325 2.950 3.639 0.039 8 0 "[ . 1 .]" 1
559 1 11 VAL HA 1 55 ALA H . . 5.200 4.692 4.580 4.863 . 0 0 "[ . 1 .]" 1
560 1 10 GLN HA 1 55 ALA H . . 5.000 4.519 4.329 4.760 . 0 0 "[ . 1 .]" 1
561 1 41 ILE HA 1 55 ALA H . . 5.200 4.709 4.550 4.842 . 0 0 "[ . 1 .]" 1
562 1 55 ALA HA 1 56 HIS H . . 2.400 2.110 2.045 2.136 . 0 0 "[ . 1 .]" 1
563 1 55 ALA H 1 56 HIS H . . 4.800 4.307 4.211 4.424 . 0 0 "[ . 1 .]" 1
564 1 55 ALA MB 1 56 HIS H . . 6.000 3.228 2.989 3.351 . 0 0 "[ . 1 .]" 1
565 1 56 HIS H 1 56 HIS HA . . 3.000 2.900 2.887 2.911 . 0 0 "[ . 1 .]" 1
566 1 56 HIS H 1 56 HIS HB2 . . 3.600 2.501 2.400 2.909 . 0 0 "[ . 1 .]" 1
567 1 56 HIS H 1 56 HIS HB3 . . 3.600 3.338 2.466 3.626 0.026 8 0 "[ . 1 .]" 1
568 1 41 ILE HA 1 56 HIS H . . 3.400 2.933 2.758 3.188 . 0 0 "[ . 1 .]" 1
569 1 40 GLY HA2 1 56 HIS H . . 5.400 4.866 4.742 4.928 . 0 0 "[ . 1 .]" 1
570 1 10 GLN HA 1 56 HIS H . . 5.200 4.627 4.508 4.732 . 0 0 "[ . 1 .]" 1
571 1 56 HIS HA 1 57 LEU H . . 2.400 2.111 2.077 2.187 . 0 0 "[ . 1 .]" 1
572 1 56 HIS H 1 57 LEU H . . 4.800 4.255 4.137 4.403 . 0 0 "[ . 1 .]" 1
573 1 56 HIS HB3 1 57 LEU H . . 4.800 3.718 3.320 4.303 . 0 0 "[ . 1 .]" 1
574 1 56 HIS HB2 1 57 LEU H . . 4.800 4.301 4.149 4.456 . 0 0 "[ . 1 .]" 1
575 1 57 LEU H 1 57 LEU HA . . 3.000 2.942 2.923 2.959 . 0 0 "[ . 1 .]" 1
576 1 10 GLN HA 1 57 LEU H . . 3.400 3.060 2.834 3.406 0.006 8 0 "[ . 1 .]" 1
577 1 9 TYR HA 1 57 LEU H . . 5.200 4.686 4.408 4.818 . 0 0 "[ . 1 .]" 1
578 1 9 TYR HB2 1 57 LEU H . . 5.000 3.804 3.397 4.235 . 0 0 "[ . 1 .]" 1
579 1 9 TYR HB3 1 57 LEU H . . 5.000 4.718 4.380 5.008 0.008 1 0 "[ . 1 .]" 1
580 1 8 PRO HA 1 57 LEU H . . 5.200 4.277 4.032 4.629 . 0 0 "[ . 1 .]" 1
581 1 57 LEU HA 1 58 LEU H . . 2.400 2.246 2.160 2.328 . 0 0 "[ . 1 .]" 1
582 1 57 LEU H 1 58 LEU H . . 4.800 4.387 4.330 4.424 . 0 0 "[ . 1 .]" 1
583 1 57 LEU HB3 1 58 LEU H . . 5.000 2.688 2.434 2.963 . 0 0 "[ . 1 .]" 1
584 1 57 LEU HB2 1 58 LEU H . . 5.000 3.679 3.323 3.903 . 0 0 "[ . 1 .]" 1
585 1 58 LEU H 1 58 LEU HA . . 3.000 2.949 2.931 2.966 . 0 0 "[ . 1 .]" 1
586 1 38 LEU HA 1 58 LEU H . . 3.400 3.326 3.066 3.449 0.049 7 0 "[ . 1 .]" 1
587 1 37 THR HA 1 58 LEU H . . 5.000 4.706 4.603 4.829 . 0 0 "[ . 1 .]" 1
588 1 37 THR HB 1 58 LEU H . . 4.000 3.583 3.303 3.965 . 0 0 "[ . 1 .]" 1
589 1 58 LEU HA 1 59 MET H . . 2.600 2.207 2.114 2.317 . 0 0 "[ . 1 .]" 1
590 1 58 LEU H 1 59 MET H . . 4.800 4.149 4.052 4.296 . 0 0 "[ . 1 .]" 1
591 1 58 LEU QB 1 59 MET H . . 5.800 3.384 3.304 3.509 . 0 0 "[ . 1 .]" 1
592 1 59 MET H 1 59 MET HA . . 3.000 2.951 2.939 2.973 . 0 0 "[ . 1 .]" 1
593 1 59 MET H 1 59 MET HB3 . . 4.400 2.910 2.569 3.796 . 0 0 "[ . 1 .]" 1
594 1 59 MET H 1 59 MET HB2 . . 4.400 2.979 2.568 3.836 . 0 0 "[ . 1 .]" 1
595 1 8 PRO HA 1 59 MET H . . 4.400 3.945 3.689 4.273 . 0 0 "[ . 1 .]" 1
596 1 9 TYR HD2 1 59 MET H . . 3.400 3.156 2.743 3.440 0.040 15 0 "[ . 1 .]" 1
597 1 9 TYR HE2 1 59 MET H . . 4.400 3.786 3.103 4.337 . 0 0 "[ . 1 .]" 1
598 1 59 MET HA 1 60 VAL H . . 2.400 2.151 2.043 2.267 . 0 0 "[ . 1 .]" 1
599 1 59 MET H 1 60 VAL H . . 4.800 4.433 4.359 4.548 . 0 0 "[ . 1 .]" 1
600 1 59 MET HB3 1 60 VAL H . . 4.400 3.805 2.806 4.144 . 0 0 "[ . 1 .]" 1
601 1 59 MET HB2 1 60 VAL H . . 4.400 3.995 2.632 4.247 . 0 0 "[ . 1 .]" 1
602 1 60 VAL H 1 60 VAL HA . . 3.000 2.848 2.812 2.871 . 0 0 "[ . 1 .]" 1
603 1 60 VAL H 1 60 VAL HB . . 3.600 2.657 2.535 3.613 0.013 6 0 "[ . 1 .]" 1
604 1 36 ILE HA 1 60 VAL H . . 4.400 3.646 2.979 4.388 . 0 0 "[ . 1 .]" 1
605 1 6 LEU HA 1 60 VAL H . . 5.800 4.797 4.023 5.017 . 0 0 "[ . 1 .]" 1
606 1 35 ASP HB2 1 60 VAL H . . 5.800 4.688 3.797 5.677 . 0 0 "[ . 1 .]" 1
607 1 35 ASP HB3 1 60 VAL H . . 5.800 4.059 2.887 5.378 . 0 0 "[ . 1 .]" 1
608 1 60 VAL HA 1 61 GLY H . . 2.400 2.158 2.028 2.232 . 0 0 "[ . 1 .]" 1
609 1 60 VAL H 1 61 GLY H . 4.000 4.800 4.465 4.435 4.489 . 0 0 "[ . 1 .]" 1
610 1 60 VAL HB 1 61 GLY H . . 4.400 4.036 3.080 4.186 . 0 0 "[ . 1 .]" 1
611 1 60 VAL MG1 1 61 GLY H . . 5.400 2.859 2.667 3.642 . 0 0 "[ . 1 .]" 1
612 1 60 VAL MG2 1 61 GLY H . . 6.400 4.200 4.054 4.286 . 0 0 "[ . 1 .]" 1
613 1 61 GLY H 1 61 GLY HA2 . . 3.000 2.318 2.273 2.383 . 0 0 "[ . 1 .]" 1
614 1 61 GLY H 1 61 GLY HA3 . . 3.000 2.841 2.746 2.901 . 0 0 "[ . 1 .]" 1
615 1 59 MET HA 1 61 GLY H . . 5.800 5.819 5.748 5.873 0.073 6 0 "[ . 1 .]" 1
616 1 7 GLN QB 1 61 GLY H . . 6.000 5.012 4.074 5.791 . 0 0 "[ . 1 .]" 1
617 1 61 GLY HA2 1 62 HIS H . . 3.600 3.286 3.099 3.605 0.005 9 0 "[ . 1 .]" 1
618 1 61 GLY HA3 1 62 HIS H . . 3.200 2.135 1.944 2.610 . 0 0 "[ . 1 .]" 1
619 1 61 GLY H 1 62 HIS H . 3.800 4.400 4.164 3.632 4.409 0.168 9 0 "[ . 1 .]" 1
620 1 62 HIS H 1 62 HIS HA . . 2.800 2.608 2.145 2.824 0.024 14 0 "[ . 1 .]" 1
621 1 7 GLN QB 1 62 HIS H . . 6.400 5.601 4.751 6.266 . 0 0 "[ . 1 .]" 1
622 1 60 VAL MG1 1 62 HIS H . . 6.800 4.907 4.537 6.364 . 0 0 "[ . 1 .]" 1
623 1 60 VAL HB 1 62 HIS H . . 5.400 5.234 4.591 5.489 0.089 10 0 "[ . 1 .]" 1
624 1 62 HIS HA 1 63 THR H . . 3.400 2.089 1.897 2.281 . 0 0 "[ . 1 .]" 1
625 1 62 HIS H 1 63 THR H . . 3.400 3.259 3.041 3.421 0.021 14 0 "[ . 1 .]" 1
626 1 62 HIS QB 1 63 THR H . . 4.600 3.927 3.816 4.030 . 0 0 "[ . 1 .]" 1
627 1 63 THR H 1 63 THR HA . . 2.800 2.876 2.867 2.895 0.095 13 0 "[ . 1 .]" 1
628 1 63 THR H 1 63 THR HB . . 3.600 2.661 2.512 2.881 . 0 0 "[ . 1 .]" 1
629 1 61 GLY HA3 1 63 THR H . . 5.000 5.050 5.003 5.100 0.100 1 0 "[ . 1 .]" 1
630 1 63 THR HA 1 64 PRO HD2 . . 2.800 2.081 1.975 2.289 . 0 0 "[ . 1 .]" 1
631 1 63 THR HA 1 64 PRO HD3 . . 2.800 2.475 2.276 2.802 0.002 13 0 "[ . 1 .]" 1
632 1 63 THR H 1 64 PRO HD2 . . 4.400 4.417 4.219 4.482 0.082 1 0 "[ . 1 .]" 1
633 1 63 THR H 1 64 PRO HD3 . . 3.600 3.620 3.330 3.702 0.102 3 0 "[ . 1 .]" 1
634 1 64 PRO HA 1 65 ALA H . . 3.400 3.467 3.409 3.487 0.087 1 0 "[ . 1 .]" 1
635 1 64 PRO HD2 1 65 ALA H . . 4.000 3.118 2.855 3.390 . 0 0 "[ . 1 .]" 1
636 1 64 PRO HD3 1 65 ALA H . . 5.000 4.187 3.984 4.407 . 0 0 "[ . 1 .]" 1
637 1 65 ALA H 1 65 ALA HA . . 2.800 2.808 2.796 2.838 0.038 12 0 "[ . 1 .]" 1
638 1 63 THR HA 1 65 ALA H . . 4.200 3.807 3.484 4.161 . 0 0 "[ . 1 .]" 1
639 1 63 THR HB 1 65 ALA H . . 4.800 4.618 4.305 4.810 0.010 6 0 "[ . 1 .]" 1
640 1 63 THR MG 1 65 ALA H . . 5.800 2.812 2.467 3.153 . 0 0 "[ . 1 .]" 1
641 1 65 ALA H 1 67 LEU H . 3.800 4.800 4.058 3.825 4.258 . 0 0 "[ . 1 .]" 1
642 1 65 ALA H 1 68 GLU H . 3.600 5.000 4.622 4.447 4.713 . 0 0 "[ . 1 .]" 1
643 1 65 ALA HA 1 66 LYS H . . 3.600 3.513 3.449 3.553 . 0 0 "[ . 1 .]" 1
644 1 65 ALA H 1 66 LYS H . 2.200 2.800 2.767 2.542 2.836 0.036 4 0 "[ . 1 .]" 1
645 1 65 ALA MB 1 66 LYS H . . 6.000 2.560 2.281 2.888 . 0 0 "[ . 1 .]" 1
646 1 66 LYS H 1 66 LYS HA . . 2.800 2.840 2.826 2.863 0.063 2 0 "[ . 1 .]" 1
647 1 66 LYS H 1 68 GLU H . . 4.200 4.031 3.796 4.227 0.027 11 0 "[ . 1 .]" 1
648 1 66 LYS HA 1 67 LEU H . . 3.600 3.455 3.384 3.497 . 0 0 "[ . 1 .]" 1
649 1 66 LYS H 1 67 LEU H . . 2.800 2.478 2.349 2.570 . 0 0 "[ . 1 .]" 1
650 1 66 LYS HB3 1 67 LEU H . . 4.800 3.741 2.527 4.228 . 0 0 "[ . 1 .]" 1
651 1 66 LYS HB2 1 67 LEU H . . 4.800 3.162 2.538 4.148 . 0 0 "[ . 1 .]" 1
652 1 67 LEU H 1 67 LEU HA . . 2.800 2.829 2.807 2.872 0.072 14 0 "[ . 1 .]" 1
653 1 65 ALA HA 1 67 LEU H . . 4.400 4.348 4.164 4.455 0.055 1 0 "[ . 1 .]" 1
654 1 67 LEU H 1 69 ARG H . . 4.200 3.966 3.701 4.162 . 0 0 "[ . 1 .]" 1
655 1 67 LEU HA 1 68 GLU H . . 3.600 3.517 3.484 3.555 . 0 0 "[ . 1 .]" 1
656 1 67 LEU H 1 68 GLU H . . 2.800 2.519 2.375 2.677 . 0 0 "[ . 1 .]" 1
657 1 67 LEU QB 1 68 GLU H . . 5.800 2.545 2.349 2.646 . 0 0 "[ . 1 .]" 1
658 1 68 GLU H 1 68 GLU HA . . 2.800 2.806 2.771 2.821 0.021 9 0 "[ . 1 .]" 1
659 1 65 ALA HA 1 68 GLU H . . 3.600 3.563 3.053 3.673 0.073 10 0 "[ . 1 .]" 1
660 1 66 LYS HA 1 68 GLU H . . 4.400 4.407 4.257 4.444 0.044 5 0 "[ . 1 .]" 1
661 1 68 GLU H 1 70 LEU H . . 4.200 4.062 3.879 4.241 0.041 7 0 "[ . 1 .]" 1
662 1 68 GLU HA 1 69 ARG H . . 3.600 3.512 3.467 3.561 . 0 0 "[ . 1 .]" 1
663 1 68 GLU H 1 69 ARG H . . 2.800 2.620 2.474 2.738 . 0 0 "[ . 1 .]" 1
664 1 68 GLU QB 1 69 ARG H . . 5.400 2.698 2.330 2.955 . 0 0 "[ . 1 .]" 1
665 1 69 ARG H 1 69 ARG HA . . 2.800 2.825 2.805 2.849 0.049 12 0 "[ . 1 .]" 1
666 1 66 LYS HA 1 69 ARG H . . 3.500 3.456 3.176 3.547 0.047 5 0 "[ . 1 .]" 1
667 1 65 ALA HA 1 69 ARG H . . 4.400 4.029 3.688 4.305 . 0 0 "[ . 1 .]" 1
668 1 67 LEU HA 1 69 ARG H . . 4.400 4.355 4.099 4.440 0.040 3 0 "[ . 1 .]" 1
669 1 69 ARG H 1 71 VAL H . . 4.200 4.099 3.995 4.214 0.014 10 0 "[ . 1 .]" 1
670 1 69 ARG HA 1 70 LEU H . . 3.600 3.495 3.408 3.554 . 0 0 "[ . 1 .]" 1
671 1 69 ARG H 1 70 LEU H . . 2.800 2.562 2.362 2.737 . 0 0 "[ . 1 .]" 1
672 1 69 ARG QB 1 70 LEU H . . 5.400 2.691 2.407 3.036 . 0 0 "[ . 1 .]" 1
673 1 70 LEU H 1 70 LEU HA . . 2.800 2.815 2.779 2.837 0.037 15 0 "[ . 1 .]" 1
674 1 67 LEU HA 1 70 LEU H . . 3.500 3.458 3.302 3.520 0.020 6 0 "[ . 1 .]" 1
675 1 66 LYS HA 1 70 LEU H . . 4.200 4.114 3.739 4.242 0.042 2 0 "[ . 1 .]" 1
676 1 68 GLU HA 1 70 LEU H . . 4.400 4.316 4.044 4.462 0.062 15 0 "[ . 1 .]" 1
677 1 70 LEU H 1 72 ALA H . . 4.200 3.993 3.863 4.175 . 0 0 "[ . 1 .]" 1
678 1 70 LEU HA 1 71 VAL H . . 3.600 3.516 3.455 3.587 . 0 0 "[ . 1 .]" 1
679 1 70 LEU H 1 71 VAL H . . 2.800 2.642 2.467 2.792 . 0 0 "[ . 1 .]" 1
680 1 70 LEU QB 1 71 VAL H . . 5.800 2.766 2.305 3.726 . 0 0 "[ . 1 .]" 1
681 1 71 VAL H 1 71 VAL HA . . 2.800 2.818 2.790 2.833 0.033 2 0 "[ . 1 .]" 1
682 1 71 VAL H 1 71 VAL HB . . 4.000 2.925 2.468 3.714 . 0 0 "[ . 1 .]" 1
683 1 68 GLU HA 1 71 VAL H . . 3.500 3.376 2.962 3.563 0.063 15 0 "[ . 1 .]" 1
684 1 67 LEU HA 1 71 VAL H . . 4.200 4.103 3.898 4.257 0.057 14 0 "[ . 1 .]" 1
685 1 69 ARG HA 1 71 VAL H . . 4.400 4.417 4.359 4.466 0.066 9 0 "[ . 1 .]" 1
686 1 71 VAL H 1 73 GLU H . . 4.200 4.188 4.040 4.247 0.047 7 0 "[ . 1 .]" 1
687 1 71 VAL HA 1 72 ALA H . . 3.600 3.483 3.419 3.533 . 0 0 "[ . 1 .]" 1
688 1 71 VAL H 1 72 ALA H . . 2.800 2.593 2.453 2.787 . 0 0 "[ . 1 .]" 1
689 1 71 VAL HB 1 72 ALA H . . 4.800 3.272 2.702 4.066 . 0 0 "[ . 1 .]" 1
690 1 72 ALA H 1 72 ALA HA . . 2.800 2.812 2.778 2.835 0.035 6 0 "[ . 1 .]" 1
691 1 69 ARG HA 1 72 ALA H . . 3.500 3.378 2.958 3.569 0.069 7 0 "[ . 1 .]" 1
692 1 68 GLU HA 1 72 ALA H . . 4.200 3.999 3.740 4.204 0.004 2 0 "[ . 1 .]" 1
693 1 70 LEU HA 1 72 ALA H . . 4.400 4.278 4.008 4.441 0.041 3 0 "[ . 1 .]" 1
694 1 72 ALA H 1 74 LEU H . . 4.200 3.984 3.758 4.205 0.005 9 0 "[ . 1 .]" 1
695 1 72 ALA HA 1 73 GLU H . . 3.600 3.538 3.500 3.576 . 0 0 "[ . 1 .]" 1
696 1 72 ALA H 1 73 GLU H . . 2.800 2.664 2.532 2.805 0.005 4 0 "[ . 1 .]" 1
697 1 72 ALA MB 1 73 GLU H . . 6.000 2.535 2.291 2.753 . 0 0 "[ . 1 .]" 1
698 1 73 GLU H 1 73 GLU HA . . 2.800 2.858 2.820 2.889 0.089 5 0 "[ . 1 .]" 1
699 1 70 LEU HA 1 73 GLU H . . 3.500 3.424 3.088 3.599 0.099 7 0 "[ . 1 .]" 1
700 1 69 ARG HA 1 73 GLU H . . 4.200 4.067 3.717 4.264 0.064 12 0 "[ . 1 .]" 1
701 1 71 VAL HA 1 73 GLU H . . 4.400 4.366 4.233 4.466 0.066 4 0 "[ . 1 .]" 1
702 1 73 GLU H 1 75 SER H . . 4.200 4.071 3.916 4.211 0.011 12 0 "[ . 1 .]" 1
703 1 73 GLU HA 1 74 LEU H . . 3.600 3.462 3.382 3.531 . 0 0 "[ . 1 .]" 1
704 1 73 GLU H 1 74 LEU H . . 2.800 2.540 2.296 2.769 . 0 0 "[ . 1 .]" 1
705 1 73 GLU QB 1 74 LEU H . . 5.400 2.714 2.420 3.046 . 0 0 "[ . 1 .]" 1
706 1 74 LEU H 1 74 LEU HA . . 2.800 2.817 2.800 2.835 0.035 9 0 "[ . 1 .]" 1
707 1 71 VAL HA 1 74 LEU H . . 3.500 3.308 2.955 3.554 0.054 3 0 "[ . 1 .]" 1
708 1 70 LEU HA 1 74 LEU H . . 4.200 4.013 3.744 4.225 0.025 5 0 "[ . 1 .]" 1
709 1 72 ALA HA 1 74 LEU H . . 4.400 4.379 4.235 4.460 0.060 9 0 "[ . 1 .]" 1
710 1 74 LEU H 1 76 LEU H . . 4.200 3.878 3.693 4.121 . 0 0 "[ . 1 .]" 1
711 1 74 LEU HA 1 75 SER H . . 3.600 3.525 3.341 3.576 . 0 0 "[ . 1 .]" 1
712 1 74 LEU H 1 75 SER H . . 2.800 2.622 2.511 2.735 . 0 0 "[ . 1 .]" 1
713 1 74 LEU QB 1 75 SER H . . 6.000 2.673 2.465 3.288 . 0 0 "[ . 1 .]" 1
714 1 75 SER H 1 75 SER HA . . 2.800 2.803 2.751 2.828 0.028 2 0 "[ . 1 .]" 1
715 1 75 SER H 1 75 SER HB3 . . 3.600 2.785 2.435 3.574 . 0 0 "[ . 1 .]" 1
716 1 75 SER H 1 75 SER HB2 . . 3.600 3.308 2.504 3.614 0.014 11 0 "[ . 1 .]" 1
717 1 72 ALA HA 1 75 SER H . . 3.500 3.482 3.396 3.559 0.059 7 0 "[ . 1 .]" 1
718 1 71 VAL HA 1 75 SER H . . 4.200 3.880 3.731 4.219 0.019 9 0 "[ . 1 .]" 1
719 1 73 GLU HA 1 75 SER H . . 4.400 4.301 4.144 4.409 0.009 14 0 "[ . 1 .]" 1
720 1 75 SER H 1 77 GLN H . . 4.200 4.014 3.814 4.205 0.005 4 0 "[ . 1 .]" 1
721 1 75 SER HA 1 76 LEU H . . 3.600 3.485 3.356 3.571 . 0 0 "[ . 1 .]" 1
722 1 75 SER H 1 76 LEU H . . 2.800 2.494 2.271 2.658 . 0 0 "[ . 1 .]" 1
723 1 75 SER HB3 1 76 LEU H . . 4.400 3.921 2.662 4.413 0.013 6 0 "[ . 1 .]" 1
724 1 75 SER HB2 1 76 LEU H . . 4.400 3.842 2.829 4.049 . 0 0 "[ . 1 .]" 1
725 1 76 LEU H 1 76 LEU HA . . 2.800 2.828 2.811 2.845 0.045 7 0 "[ . 1 .]" 1
726 1 76 LEU H 1 76 LEU HB3 . . 3.400 2.875 2.308 3.516 0.116 5 0 "[ . 1 .]" 1
727 1 76 LEU H 1 76 LEU HB2 . . 3.400 2.404 2.136 2.631 . 0 0 "[ . 1 .]" 1
728 1 73 GLU HA 1 76 LEU H . . 3.500 3.220 2.912 3.545 0.045 9 0 "[ . 1 .]" 1
729 1 72 ALA HA 1 76 LEU H . . 4.200 4.127 3.861 4.252 0.052 6 0 "[ . 1 .]" 1
730 1 74 LEU HA 1 76 LEU H . . 4.400 4.158 3.947 4.413 0.013 5 0 "[ . 1 .]" 1
731 1 76 LEU HA 1 77 GLN H . . 3.600 3.390 3.267 3.465 . 0 0 "[ . 1 .]" 1
732 1 76 LEU H 1 77 GLN H . . 2.800 2.497 2.337 2.580 . 0 0 "[ . 1 .]" 1
733 1 76 LEU HB3 1 77 GLN H . . 4.600 3.431 2.844 4.153 . 0 0 "[ . 1 .]" 1
734 1 76 LEU HB2 1 77 GLN H . . 4.600 3.825 3.000 4.290 . 0 0 "[ . 1 .]" 1
735 1 77 GLN H 1 77 GLN HA . . 2.800 2.797 2.748 2.824 0.024 9 0 "[ . 1 .]" 1
736 1 74 LEU HA 1 77 GLN H . . 3.500 3.541 3.440 3.607 0.107 11 0 "[ . 1 .]" 1
737 1 73 GLU HA 1 77 GLN H . . 4.200 4.330 4.273 4.360 0.160 9 0 "[ . 1 .]" 1
738 1 75 SER HA 1 77 GLN H . . 4.400 3.896 3.652 4.195 . 0 0 "[ . 1 .]" 1
739 1 77 GLN H 1 79 GLY H . . 6.000 6.101 6.072 6.139 0.139 9 0 "[ . 1 .]" 1
740 1 77 GLN HA 1 78 PRO HD2 . . 3.200 2.109 2.006 2.285 . 0 0 "[ . 1 .]" 1
741 1 77 GLN HA 1 78 PRO HD3 . . 3.200 2.366 2.119 2.561 . 0 0 "[ . 1 .]" 1
742 1 77 GLN H 1 78 PRO HD2 . . 4.800 4.795 4.739 4.879 0.079 14 0 "[ . 1 .]" 1
743 1 77 GLN H 1 78 PRO HD3 . . 5.400 4.777 4.331 5.099 . 0 0 "[ . 1 .]" 1
744 1 78 PRO HA 1 79 GLY H . . 3.000 2.065 2.021 2.111 . 0 0 "[ . 1 .]" 1
745 1 78 PRO HD2 1 79 GLY H . . 5.800 5.383 5.300 5.466 . 0 0 "[ . 1 .]" 1
746 1 78 PRO HD3 1 79 GLY H . . 5.800 5.261 5.202 5.317 . 0 0 "[ . 1 .]" 1
747 1 78 PRO HB2 1 79 GLY H . . 4.400 3.895 3.759 4.114 . 0 0 "[ . 1 .]" 1
748 1 78 PRO HB3 1 79 GLY H . . 4.800 4.078 3.810 4.204 . 0 0 "[ . 1 .]" 1
749 1 79 GLY H 1 79 GLY HA2 . . 2.600 2.593 2.533 2.618 0.018 3 0 "[ . 1 .]" 1
750 1 79 GLY H 1 79 GLY HA3 . . 3.000 2.952 2.925 2.971 . 0 0 "[ . 1 .]" 1
751 1 79 GLY HA2 1 80 VAL H . . 3.400 3.384 3.271 3.428 0.028 3 0 "[ . 1 .]" 1
752 1 79 GLY HA3 1 80 VAL H . . 3.600 3.090 2.938 3.246 . 0 0 "[ . 1 .]" 1
753 1 79 GLY H 1 80 VAL H . 2.200 2.600 2.035 2.002 2.054 0.198 1 0 "[ . 1 .]" 1
754 1 80 VAL H 1 80 VAL HA . . 3.000 2.857 2.802 2.932 . 0 0 "[ . 1 .]" 1
755 1 80 VAL H 1 80 VAL HB . . 3.000 2.425 2.321 2.506 . 0 0 "[ . 1 .]" 1
756 1 15 CYS HA 1 80 VAL H . . 5.200 4.749 4.629 4.932 . 0 0 "[ . 1 .]" 1
757 1 15 CYS HB2 1 80 VAL H . . 5.400 4.227 3.828 4.600 . 0 0 "[ . 1 .]" 1
758 1 15 CYS HB3 1 80 VAL H . . 5.400 4.440 4.107 4.877 . 0 0 "[ . 1 .]" 1
759 1 78 PRO HA 1 80 VAL H . . 3.600 3.591 3.447 3.647 0.047 15 0 "[ . 1 .]" 1
760 1 80 VAL HA 1 81 TYR H . . 2.400 2.134 2.098 2.162 . 0 0 "[ . 1 .]" 1
761 1 80 VAL H 1 81 TYR H . . 4.800 4.502 4.456 4.532 . 0 0 "[ . 1 .]" 1
762 1 80 VAL HB 1 81 TYR H . . 5.000 4.135 4.013 4.213 . 0 0 "[ . 1 .]" 1
763 1 80 VAL MG1 1 81 TYR H . . 5.400 2.550 2.415 2.658 . 0 0 "[ . 1 .]" 1
764 1 80 VAL MG2 1 81 TYR H . . 6.400 3.918 3.804 3.964 . 0 0 "[ . 1 .]" 1
765 1 81 TYR H 1 81 TYR HA . . 3.000 2.903 2.889 2.925 . 0 0 "[ . 1 .]" 1
766 1 81 TYR H 1 81 TYR HB3 . . 3.600 3.593 3.531 3.620 0.020 3 0 "[ . 1 .]" 1
767 1 81 TYR H 1 81 TYR HB2 . . 3.600 2.379 2.262 2.445 . 0 0 "[ . 1 .]" 1
768 1 15 CYS HA 1 81 TYR H . 2.200 3.000 2.298 2.171 2.407 0.029 13 0 "[ . 1 .]" 1
769 1 81 TYR HA 1 82 ALA H . . 3.600 3.530 3.507 3.555 . 0 0 "[ . 1 .]" 1
770 1 81 TYR H 1 82 ALA H . . 2.800 2.283 2.175 2.355 . 0 0 "[ . 1 .]" 1
771 1 81 TYR HB3 1 82 ALA H . . 4.000 3.356 3.085 3.617 . 0 0 "[ . 1 .]" 1
772 1 81 TYR HB2 1 82 ALA H . . 4.000 2.386 2.218 2.548 . 0 0 "[ . 1 .]" 1
773 1 82 ALA H 1 82 ALA HA . . 3.000 2.872 2.839 2.930 . 0 0 "[ . 1 .]" 1
774 1 15 CYS HA 1 82 ALA H . . 5.000 4.234 4.130 4.395 . 0 0 "[ . 1 .]" 1
775 1 14 ILE HA 1 82 ALA H . . 5.200 4.895 4.763 5.052 . 0 0 "[ . 1 .]" 1
776 1 13 VAL HA 1 82 ALA H . . 5.200 4.823 4.706 5.076 . 0 0 "[ . 1 .]" 1
777 1 80 VAL HA 1 82 ALA H . . 4.000 3.972 3.762 4.067 0.067 11 0 "[ . 1 .]" 1
778 1 80 VAL MG1 1 82 ALA H . . 6.400 2.462 2.320 2.609 . 0 0 "[ . 1 .]" 1
779 1 82 ALA HA 1 83 VAL H . . 2.400 2.378 2.309 2.446 0.046 11 0 "[ . 1 .]" 1
780 1 82 ALA H 1 83 VAL H . . 4.800 4.327 4.280 4.396 . 0 0 "[ . 1 .]" 1
781 1 82 ALA MB 1 83 VAL H . . 6.000 2.429 2.180 2.602 . 0 0 "[ . 1 .]" 1
782 1 83 VAL H 1 83 VAL HA . . 3.000 2.894 2.847 2.926 . 0 0 "[ . 1 .]" 1
783 1 83 VAL H 1 83 VAL HB . . 4.000 3.253 2.678 3.528 . 0 0 "[ . 1 .]" 1
784 1 13 VAL HA 1 83 VAL H . . 5.000 4.755 4.604 4.913 . 0 0 "[ . 1 .]" 1
785 1 83 VAL HA 1 84 HIS H . . 2.400 2.205 2.109 2.335 . 0 0 "[ . 1 .]" 1
786 1 83 VAL H 1 84 HIS H . . 4.800 4.239 4.115 4.376 . 0 0 "[ . 1 .]" 1
787 1 83 VAL HB 1 84 HIS H . . 4.400 4.106 4.024 4.179 . 0 0 "[ . 1 .]" 1
788 1 83 VAL MG2 1 84 HIS H . . 6.400 2.503 2.170 3.995 . 0 0 "[ . 1 .]" 1
789 1 83 VAL MG1 1 84 HIS H . . 5.400 3.670 2.690 4.003 . 0 0 "[ . 1 .]" 1
790 1 84 HIS H 1 84 HIS HA . . 3.000 2.924 2.877 2.970 . 0 0 "[ . 1 .]" 1
791 1 84 HIS H 1 84 HIS HB2 . . 4.400 3.110 2.597 3.408 . 0 0 "[ . 1 .]" 1
792 1 84 HIS H 1 84 HIS HB3 . . 4.400 3.205 2.671 3.898 . 0 0 "[ . 1 .]" 1
793 1 13 VAL HA 1 84 HIS H . . 3.400 3.431 3.401 3.475 0.075 5 0 "[ . 1 .]" 1
794 1 12 ARG HA 1 84 HIS H . . 5.200 4.753 4.603 4.898 . 0 0 "[ . 1 .]" 1
795 1 11 VAL HA 1 84 HIS H . . 5.200 4.729 4.515 5.022 . 0 0 "[ . 1 .]" 1
796 1 84 HIS HA 1 85 TRP H . . 2.400 2.260 2.189 2.376 . 0 0 "[ . 1 .]" 1
797 1 84 HIS H 1 85 TRP H . . 4.800 4.258 4.159 4.374 . 0 0 "[ . 1 .]" 1
798 1 84 HIS HB2 1 85 TRP H . . 4.800 4.204 3.993 4.351 . 0 0 "[ . 1 .]" 1
799 1 84 HIS HB3 1 85 TRP H . . 4.800 3.784 3.131 4.223 . 0 0 "[ . 1 .]" 1
800 1 85 TRP H 1 85 TRP HA . . 3.000 2.903 2.886 2.923 . 0 0 "[ . 1 .]" 1
801 1 85 TRP H 1 85 TRP HB3 . . 4.400 3.187 3.047 3.289 . 0 0 "[ . 1 .]" 1
802 1 85 TRP H 1 85 TRP HB2 . . 4.400 3.823 3.783 3.865 . 0 0 "[ . 1 .]" 1
803 1 11 VAL HA 1 85 TRP H . . 5.200 4.681 4.480 4.828 . 0 0 "[ . 1 .]" 1
804 1 85 TRP HA 1 86 TYR H . . 2.400 2.144 2.062 2.301 . 0 0 "[ . 1 .]" 1
805 1 85 TRP H 1 86 TYR H . . 4.800 4.341 4.269 4.385 . 0 0 "[ . 1 .]" 1
806 1 85 TRP HB3 1 86 TYR H . . 3.600 3.681 3.647 3.730 0.130 8 0 "[ . 1 .]" 1
807 1 85 TRP HB2 1 86 TYR H . . 3.600 2.494 2.326 2.598 . 0 0 "[ . 1 .]" 1
808 1 86 TYR H 1 86 TYR HA . . 3.000 2.943 2.914 2.979 . 0 0 "[ . 1 .]" 1
809 1 86 TYR H 1 86 TYR HB3 . . 4.400 3.026 2.693 3.881 . 0 0 "[ . 1 .]" 1
810 1 86 TYR H 1 86 TYR HB2 . . 4.400 3.051 2.608 3.293 . 0 0 "[ . 1 .]" 1
811 1 85 TRP HE3 1 86 TYR H . . 3.600 3.325 2.933 3.617 0.017 3 0 "[ . 1 .]" 1
812 1 11 VAL HA 1 86 TYR H . . 3.400 3.420 3.290 3.482 0.082 10 0 "[ . 1 .]" 1
813 1 10 GLN HA 1 86 TYR H . . 5.200 4.685 4.520 4.919 . 0 0 "[ . 1 .]" 1
814 1 9 TYR HA 1 86 TYR H . . 5.000 4.639 4.460 4.909 . 0 0 "[ . 1 .]" 1
815 1 86 TYR HA 1 87 ALA H . . 2.400 2.234 2.131 2.419 0.019 5 0 "[ . 1 .]" 1
816 1 86 TYR H 1 87 ALA H . . 4.800 4.311 4.184 4.437 . 0 0 "[ . 1 .]" 1
817 1 86 TYR HB2 1 87 ALA H . . 4.400 4.106 3.360 4.398 . 0 0 "[ . 1 .]" 1
818 1 86 TYR HB3 1 87 ALA H . . 4.400 3.714 2.452 4.214 . 0 0 "[ . 1 .]" 1
819 1 87 ALA H 1 87 ALA HA . . 3.000 2.889 2.854 2.935 . 0 0 "[ . 1 .]" 1
820 1 85 TRP HE3 1 87 ALA H . . 4.400 3.999 3.531 4.295 . 0 0 "[ . 1 .]" 1
821 1 85 TRP HZ3 1 87 ALA H . . 4.400 4.263 3.715 4.459 0.059 9 0 "[ . 1 .]" 1
822 1 9 TYR HA 1 87 ALA H . . 5.200 4.845 4.748 4.983 . 0 0 "[ . 1 .]" 1
823 1 87 ALA HA 1 88 GLY H . . 2.400 2.211 2.092 2.426 0.026 13 0 "[ . 1 .]" 1
824 1 87 ALA H 1 88 GLY H . . 4.800 4.506 4.360 4.645 . 0 0 "[ . 1 .]" 1
825 1 87 ALA MB 1 88 GLY H . . 5.800 2.796 2.085 3.082 . 0 0 "[ . 1 .]" 1
826 1 88 GLY H 1 88 GLY HA2 . . 3.000 2.459 2.293 2.868 . 0 0 "[ . 1 .]" 1
827 1 88 GLY H 1 88 GLY HA3 . . 3.000 2.797 2.297 2.945 . 0 0 "[ . 1 .]" 1
828 1 9 TYR HA 1 88 GLY H . . 3.400 2.764 1.962 3.362 . 0 0 "[ . 1 .]" 1
829 1 9 TYR HD1 1 88 GLY H . . 4.000 3.883 3.618 4.015 0.015 8 0 "[ . 1 .]" 1
830 1 9 TYR HE1 1 88 GLY H . . 4.800 4.752 4.441 4.869 0.069 14 0 "[ . 1 .]" 1
831 1 8 PRO HA 1 88 GLY H . . 5.800 4.912 4.274 5.648 . 0 0 "[ . 1 .]" 1
832 1 7 GLN HA 1 88 GLY H . . 5.800 5.808 5.592 5.938 0.138 5 0 "[ . 1 .]" 1
833 1 88 GLY HA2 1 89 GLU H . . 3.200 2.307 2.023 2.801 . 0 0 "[ . 1 .]" 1
834 1 88 GLY HA3 1 89 GLU H . . 3.200 2.889 2.252 3.234 0.034 13 0 "[ . 1 .]" 1
835 1 88 GLY H 1 89 GLU H . . 4.800 4.203 3.579 4.557 . 0 0 "[ . 1 .]" 1
836 1 89 GLU H 1 89 GLU HA . . 3.000 2.830 2.221 2.942 . 0 0 "[ . 1 .]" 1
837 1 10 GLN HE21 1 89 GLU H . . 5.800 4.103 2.223 5.217 . 0 0 "[ . 1 .]" 1
838 1 10 GLN HE22 1 89 GLU H . . 5.800 4.742 2.279 5.832 0.032 15 0 "[ . 1 .]" 1
839 1 89 GLU HA 1 90 HIS H . . 3.400 3.189 2.148 3.484 0.084 13 0 "[ . 1 .]" 1
840 1 89 GLU H 1 90 HIS H . . 4.800 2.532 2.104 3.667 . 0 0 "[ . 1 .]" 1
841 1 89 GLU QB 1 90 HIS H . . 5.400 3.111 1.806 3.979 . 0 0 "[ . 1 .]" 1
842 1 89 GLU QG 1 90 HIS H . . 5.400 3.582 2.827 4.391 . 0 0 "[ . 1 .]" 1
843 1 90 HIS H 1 90 HIS HA . . 3.000 2.826 2.249 2.956 . 0 0 "[ . 1 .]" 1
844 1 10 GLN HE21 1 90 HIS H . . 5.000 3.963 2.094 4.922 . 0 0 "[ . 1 .]" 1
845 1 10 GLN HE22 1 90 HIS H . . 5.000 4.052 2.381 5.038 0.038 10 0 "[ . 1 .]" 1
846 1 88 GLY HA2 1 90 HIS H . . 4.800 4.130 3.414 4.807 0.007 3 0 "[ . 1 .]" 1
847 1 88 GLY HA3 1 90 HIS H . . 4.800 3.890 2.899 4.811 0.011 8 0 "[ . 1 .]" 1
848 1 90 HIS HA 1 91 ALA H . . 3.400 2.933 2.103 3.463 0.063 5 0 "[ . 1 .]" 1
849 1 90 HIS H 1 91 ALA H . . 4.800 2.856 1.829 4.351 . 0 0 "[ . 1 .]" 1
850 1 90 HIS QB 1 91 ALA H . . 5.400 3.156 1.814 3.978 . 0 0 "[ . 1 .]" 1
851 1 91 ALA H 1 91 ALA HA . . 3.000 2.532 2.222 2.922 . 0 0 "[ . 1 .]" 1
852 1 89 GLU HA 1 91 ALA H . . 5.200 4.510 3.564 5.270 0.070 6 0 "[ . 1 .]" 1
853 1 10 GLN HE21 1 91 ALA H . . 5.800 4.333 2.316 5.789 . 0 0 "[ . 1 .]" 1
854 1 10 GLN HE22 1 91 ALA H . . 5.800 3.880 2.531 5.590 . 0 0 "[ . 1 .]" 1
855 1 91 ALA HA 1 92 GLN H . . 2.400 2.354 2.138 2.550 0.150 14 0 "[ . 1 .]" 1
856 1 91 ALA H 1 92 GLN H . . 4.800 3.029 2.063 4.303 . 0 0 "[ . 1 .]" 1
857 1 91 ALA MB 1 92 GLN H . . 6.000 3.612 3.394 3.692 . 0 0 "[ . 1 .]" 1
858 1 92 GLN H 1 92 GLN HA . . 3.000 2.797 2.219 2.928 . 0 0 "[ . 1 .]" 1
859 1 90 HIS HA 1 92 GLN H . . 5.800 4.997 3.826 5.837 0.037 5 0 "[ . 1 .]" 1
860 1 90 HIS HB2 1 92 GLN H . . 5.800 4.982 2.888 5.880 0.080 13 0 "[ . 1 .]" 1
861 1 90 HIS HB3 1 92 GLN H . . 5.800 4.246 3.000 5.442 . 0 0 "[ . 1 .]" 1
862 1 92 GLN HA 1 93 ALA H . . 2.600 2.166 2.030 2.631 0.031 5 0 "[ . 1 .]" 1
863 1 92 GLN H 1 93 ALA H . . 4.800 3.986 2.434 4.388 . 0 0 "[ . 1 .]" 1
864 1 92 GLN QB 1 93 ALA H . . 5.400 3.705 3.074 4.039 . 0 0 "[ . 1 .]" 1
865 1 93 ALA H 1 93 ALA HA . . 3.000 2.882 2.823 2.920 . 0 0 "[ . 1 .]" 1
866 1 93 ALA HA 1 94 GLU H . . 2.800 2.245 2.115 3.148 0.348 14 0 "[ . 1 .]" 1
867 1 93 ALA H 1 94 GLU H . . 4.400 3.894 1.796 4.473 0.073 13 0 "[ . 1 .]" 1
868 1 94 GLU H 1 94 GLU HA . . 3.000 2.901 2.789 2.923 . 0 0 "[ . 1 .]" 1
869 1 11 VAL HA 1 85 TRP HA . . 2.300 2.237 2.071 2.337 0.037 3 0 "[ . 1 .]" 1
870 1 11 VAL MG1 1 85 TRP HA . . 6.400 3.755 3.402 4.996 . 0 0 "[ . 1 .]" 1
871 1 11 VAL MG2 1 85 TRP HA . . 6.400 3.557 3.318 3.818 . 0 0 "[ . 1 .]" 1
872 1 84 HIS HA 1 85 TRP HA . . 5.000 4.340 4.276 4.411 . 0 0 "[ . 1 .]" 1
873 1 85 TRP HA 1 86 TYR HA . . 5.000 4.350 4.278 4.429 . 0 0 "[ . 1 .]" 1
874 1 71 VAL MG1 1 85 TRP HA . . 6.800 5.211 4.456 6.072 . 0 0 "[ . 1 .]" 1
875 1 71 VAL MG2 1 85 TRP HA . . 6.800 5.389 4.567 6.806 0.006 2 0 "[ . 1 .]" 1
876 1 11 VAL HA 1 85 TRP HB2 . . 5.400 3.075 2.723 3.472 . 0 0 "[ . 1 .]" 1
877 1 11 VAL HA 1 85 TRP HB3 . . 5.400 2.667 2.268 3.311 . 0 0 "[ . 1 .]" 1
878 1 15 CYS HA 1 80 VAL HA . . 2.300 2.198 2.040 2.312 0.012 5 0 "[ . 1 .]" 1
879 1 14 ILE HA 1 15 CYS HA . . 5.000 4.401 4.334 4.444 . 0 0 "[ . 1 .]" 1
880 1 15 CYS HA 1 16 ARG HA . . 5.000 4.344 4.275 4.399 . 0 0 "[ . 1 .]" 1
881 1 15 CYS HA 1 80 VAL MG1 . . 6.800 3.619 3.091 3.831 . 0 0 "[ . 1 .]" 1
882 1 15 CYS HA 1 80 VAL MG2 . . 6.800 3.820 3.598 3.996 . 0 0 "[ . 1 .]" 1
883 1 13 VAL MG1 1 15 CYS HA . . 6.800 5.891 5.626 6.108 . 0 0 "[ . 1 .]" 1
884 1 13 VAL MG2 1 15 CYS HA . . 6.800 4.071 3.882 4.181 . 0 0 "[ . 1 .]" 1
885 1 15 CYS HA 1 19 ALA MB . . 6.400 4.154 3.858 4.569 . 0 0 "[ . 1 .]" 1
886 1 10 GLN HA 1 56 HIS HA . . 2.300 2.309 2.177 2.382 0.082 1 0 "[ . 1 .]" 1
887 1 10 GLN HA 1 55 ALA MB . . 6.800 4.453 4.184 4.898 . 0 0 "[ . 1 .]" 1
888 1 38 LEU HA 1 57 LEU HA . . 2.300 2.343 2.251 2.441 0.141 7 0 "[ . 1 .]" 1
889 1 39 ARG HA 1 57 LEU HA . . 5.400 5.287 4.799 5.464 0.064 3 0 "[ . 1 .]" 1
890 1 37 THR MG 1 57 LEU HA . . 6.800 5.354 5.028 5.707 . 0 0 "[ . 1 .]" 1
891 1 8 PRO HA 1 58 LEU HA . . 2.600 2.436 2.242 2.605 0.005 8 0 "[ . 1 .]" 1
892 1 8 PRO HA 1 58 LEU MD1 . . 6.800 4.430 2.006 4.899 . 0 0 "[ . 1 .]" 1
893 1 8 PRO HA 1 9 TYR HB2 . . 5.400 4.491 4.384 4.561 . 0 0 "[ . 1 .]" 1
894 1 8 PRO HA 1 9 TYR HB3 . . 5.800 5.660 5.601 5.727 . 0 0 "[ . 1 .]" 1
895 1 12 ARG HA 1 54 THR HA . . 2.300 2.111 1.933 2.339 0.039 8 0 "[ . 1 .]" 1
896 1 12 ARG HA 1 54 THR MG . . 6.800 3.453 2.936 4.684 . 0 0 "[ . 1 .]" 1
897 1 12 ARG HA 1 52 THR MG . . 6.800 3.740 3.037 5.649 . 0 0 "[ . 1 .]" 1
898 1 43 THR HA 1 53 LEU HA . . 2.300 2.240 2.061 2.364 0.064 2 0 "[ . 1 .]" 1
899 1 42 ARG HA 1 43 THR HA . . 5.000 4.372 4.319 4.460 . 0 0 "[ . 1 .]" 1
900 1 43 THR HA 1 52 THR HB . . 6.000 5.230 4.610 6.096 0.096 12 0 "[ . 1 .]" 1
901 1 43 THR HA 1 54 THR HB . . 6.000 5.159 4.596 5.854 . 0 0 "[ . 1 .]" 1
902 1 14 ILE HA 1 52 THR HA . . 2.300 2.068 1.946 2.170 . 0 0 "[ . 1 .]" 1
903 1 14 ILE HA 1 52 THR HB . . 5.400 4.353 3.138 4.888 . 0 0 "[ . 1 .]" 1
904 1 14 ILE HA 1 52 THR MG . . 6.400 3.265 2.415 4.651 . 0 0 "[ . 1 .]" 1
905 1 13 VAL HA 1 14 ILE HA . . 5.000 4.340 4.277 4.414 . 0 0 "[ . 1 .]" 1
906 1 16 ARG HA 1 50 ASN HA . . 2.800 2.411 1.942 2.817 0.017 13 0 "[ . 1 .]" 1
907 1 16 ARG QD 1 50 ASN HA . . 5.800 4.689 3.283 5.895 0.095 3 0 "[ . 1 .]" 1
908 1 17 PRO HD2 1 50 ASN HA . . 4.400 3.882 3.278 4.218 . 0 0 "[ . 1 .]" 1
909 1 17 PRO HD3 1 50 ASN HA . . 4.800 2.312 1.857 2.701 . 0 0 "[ . 1 .]" 1
910 1 50 ASN HA 1 51 ILE HA . . 5.000 4.358 4.281 4.475 . 0 0 "[ . 1 .]" 1
911 1 41 ILE HA 1 55 ALA HA . . 2.300 2.196 1.996 2.303 0.003 8 0 "[ . 1 .]" 1
912 1 41 ILE MG 1 55 ALA HA . . 6.400 2.828 2.607 3.109 . 0 0 "[ . 1 .]" 1
913 1 13 VAL HA 1 83 VAL HA . . 2.300 2.120 2.028 2.231 . 0 0 "[ . 1 .]" 1
914 1 9 TYR HA 1 87 ALA HA . . 2.300 2.336 2.120 2.419 0.119 7 0 "[ . 1 .]" 1
915 1 9 TYR HB2 1 87 ALA HA . . 5.400 4.845 4.686 5.043 . 0 0 "[ . 1 .]" 1
916 1 9 TYR HB3 1 87 ALA HA . . 5.400 3.849 3.612 4.128 . 0 0 "[ . 1 .]" 1
917 1 36 ILE HA 1 59 MET HA . . 3.000 2.482 1.990 3.036 0.036 13 0 "[ . 1 .]" 1
918 1 6 LEU HA 1 59 MET HA . . 5.400 5.206 4.437 5.493 0.093 10 0 "[ . 1 .]" 1
919 1 59 MET HA 1 60 VAL HA . . 5.000 4.298 4.221 4.357 . 0 0 "[ . 1 .]" 1
920 1 36 ILE HA 1 59 MET HB2 . . 5.000 3.962 3.372 5.127 0.127 4 0 "[ . 1 .]" 1
921 1 36 ILE HA 1 59 MET HB3 . . 5.000 4.707 3.417 5.087 0.087 6 0 "[ . 1 .]" 1
922 1 36 ILE HA 1 59 MET HG2 . . 5.400 4.226 2.644 5.406 0.006 15 0 "[ . 1 .]" 1
923 1 36 ILE HA 1 59 MET HG3 . . 5.400 3.827 2.907 5.414 0.014 15 0 "[ . 1 .]" 1
924 1 6 LEU HA 1 60 VAL HA . . 3.000 2.771 2.441 2.972 . 0 0 "[ . 1 .]" 1
925 1 46 ALA MB 1 52 THR HB . . 6.400 3.399 2.164 4.587 . 0 0 "[ . 1 .]" 1
926 1 46 ALA MB 1 51 ILE HA . . 6.000 2.980 2.598 3.893 . 0 0 "[ . 1 .]" 1
927 1 46 ALA MB 1 50 ASN HA . . 6.000 4.444 4.091 5.947 . 0 0 "[ . 1 .]" 1
928 1 46 ALA MB 1 50 ASN HB2 . . 5.800 2.667 1.976 4.367 . 0 0 "[ . 1 .]" 1
929 1 46 ALA MB 1 50 ASN HB3 . . 5.800 4.019 3.533 5.812 0.012 1 0 "[ . 1 .]" 1
930 1 46 ALA HA 1 52 THR MG . . 6.800 5.237 3.315 6.787 . 0 0 "[ . 1 .]" 1
931 1 46 ALA HA 1 51 ILE MG . . 6.800 6.490 5.778 6.798 . 0 0 "[ . 1 .]" 1
932 1 31 THR HA 1 38 LEU MD1 . . 6.800 5.077 4.465 6.608 . 0 0 "[ . 1 .]" 1
933 1 31 THR HA 1 38 LEU MD2 . . 6.800 5.707 4.357 6.690 . 0 0 "[ . 1 .]" 1
934 1 31 THR HA 1 57 LEU MD1 . . 6.800 4.597 4.262 5.008 . 0 0 "[ . 1 .]" 1
935 1 31 THR HA 1 57 LEU MD2 . . 6.800 4.929 4.631 5.891 . 0 0 "[ . 1 .]" 1
936 1 31 THR HA 1 36 ILE MD . . 6.800 2.617 1.999 3.531 . 0 0 "[ . 1 .]" 1
937 1 71 VAL MG1 1 84 HIS HA . . 6.800 4.721 3.581 5.808 . 0 0 "[ . 1 .]" 1
938 1 71 VAL MG2 1 84 HIS HA . . 6.800 5.411 4.406 6.060 . 0 0 "[ . 1 .]" 1
939 1 15 CYS HB2 1 80 VAL MG2 . . 5.800 2.956 2.640 3.147 . 0 0 "[ . 1 .]" 1
940 1 15 CYS HB3 1 80 VAL MG2 . . 5.800 2.111 2.020 2.305 . 0 0 "[ . 1 .]" 1
941 1 45 PRO HA 1 51 ILE HA . . 3.400 2.220 1.967 2.493 . 0 0 "[ . 1 .]" 1
942 1 15 CYS HA 1 15 CYS HB2 . . 2.600 2.473 2.419 2.500 . 0 0 "[ . 1 .]" 1
943 1 15 CYS HA 1 15 CYS HB3 . . 2.600 2.413 2.379 2.486 . 0 0 "[ . 1 .]" 1
944 1 15 CYS HB2 1 19 ALA MB . . 4.600 2.247 1.962 2.746 . 0 0 "[ . 1 .]" 1
945 1 15 CYS HB3 1 19 ALA MB . . 5.800 3.611 3.289 4.121 . 0 0 "[ . 1 .]" 1
946 1 16 ARG HG2 1 19 ALA MB . . 5.800 3.863 2.048 5.265 . 0 0 "[ . 1 .]" 1
947 1 16 ARG HB3 1 19 ALA MB . . 5.800 3.562 2.309 4.319 . 0 0 "[ . 1 .]" 1
948 1 19 ALA MB 1 23 VAL MG2 . . 5.800 2.324 2.218 2.412 . 0 0 "[ . 1 .]" 1
949 1 19 ALA MB 1 79 GLY HA2 . . 6.000 3.624 3.243 4.335 . 0 0 "[ . 1 .]" 1
950 1 19 ALA MB 1 79 GLY HA3 . . 6.000 2.418 2.142 2.942 . 0 0 "[ . 1 .]" 1
951 1 19 ALA MB 1 80 VAL MG2 . . 6.800 3.449 3.109 4.022 . 0 0 "[ . 1 .]" 1
952 1 15 CYS HB2 1 23 VAL MG2 . . 6.000 3.301 2.936 3.711 . 0 0 "[ . 1 .]" 1
953 1 23 VAL MG2 1 80 VAL HA . . 6.400 4.544 4.089 5.032 . 0 0 "[ . 1 .]" 1
954 1 23 VAL MG2 1 80 VAL MG2 . . 6.000 2.602 2.147 3.079 . 0 0 "[ . 1 .]" 1
955 1 23 VAL MG2 1 77 GLN HG2 . . 6.400 3.895 2.038 5.866 . 0 0 "[ . 1 .]" 1
956 1 23 VAL MG2 1 77 GLN HG3 . . 6.400 3.664 2.425 5.132 . 0 0 "[ . 1 .]" 1
957 1 75 SER HA 1 80 VAL MG1 . . 5.800 2.036 1.812 2.562 . 0 0 "[ . 1 .]" 1
958 1 75 SER HA 1 80 VAL HB . . 4.400 3.070 2.608 3.709 . 0 0 "[ . 1 .]" 1
959 1 13 VAL MG1 1 75 SER HA . . 5.800 5.634 5.324 5.836 0.036 7 0 "[ . 1 .]" 1
960 1 13 VAL HB 1 75 SER HA . . 5.000 5.102 5.060 5.148 0.148 4 0 "[ . 1 .]" 1
961 1 20 GLU HA 1 53 LEU MD2 . . 6.800 2.709 2.192 3.958 . 0 0 "[ . 1 .]" 1
962 1 20 GLU HG2 1 53 LEU MD2 . . 5.800 2.148 1.925 4.240 . 0 0 "[ . 1 .]" 1
963 1 20 GLU HG3 1 53 LEU MD2 . . 5.800 3.569 2.904 4.653 . 0 0 "[ . 1 .]" 1
964 1 24 ARG HA 1 53 LEU MD2 . . 6.000 2.982 2.664 3.958 . 0 0 "[ . 1 .]" 1
965 1 24 ARG HD2 1 53 LEU MD2 . . 6.400 3.836 2.975 4.700 . 0 0 "[ . 1 .]" 1
966 1 24 ARG HD3 1 53 LEU MD2 . . 6.400 3.658 2.140 4.913 . 0 0 "[ . 1 .]" 1
967 1 20 GLU HA 1 53 LEU MD1 . . 6.800 2.603 2.200 2.974 . 0 0 "[ . 1 .]" 1
968 1 20 GLU HG2 1 53 LEU MD1 . . 6.800 2.244 1.922 3.445 . 0 0 "[ . 1 .]" 1
969 1 20 GLU HG3 1 53 LEU MD1 . . 6.800 2.982 2.465 4.252 . 0 0 "[ . 1 .]" 1
970 1 24 ARG HA 1 53 LEU MD1 . . 6.400 5.103 2.528 5.553 . 0 0 "[ . 1 .]" 1
971 1 24 ARG HD2 1 53 LEU MD1 . . 6.800 5.890 4.776 6.820 0.020 8 0 "[ . 1 .]" 1
972 1 24 ARG HD3 1 53 LEU MD1 . . 6.800 5.641 3.507 6.714 . 0 0 "[ . 1 .]" 1
973 1 23 VAL MG1 1 53 LEU MD1 . . 6.800 3.173 2.574 3.802 . 0 0 "[ . 1 .]" 1
974 1 24 ARG HA 1 27 ILE MG . . 6.800 4.098 3.916 4.222 . 0 0 "[ . 1 .]" 1
975 1 24 ARG HA 1 27 ILE MD . . 5.800 2.429 2.262 2.909 . 0 0 "[ . 1 .]" 1
976 1 27 ILE MG 1 55 ALA MB . . 6.800 2.407 2.040 2.725 . 0 0 "[ . 1 .]" 1
977 1 27 ILE MD 1 55 ALA MB . . 6.800 2.451 2.118 2.767 . 0 0 "[ . 1 .]" 1
978 1 27 ILE MG 1 31 THR MG . . 5.400 2.344 2.222 2.476 . 0 0 "[ . 1 .]" 1
979 1 27 ILE MG 1 31 THR HB . . 6.400 4.465 4.336 4.583 . 0 0 "[ . 1 .]" 1
980 1 31 THR MG 1 36 ILE MG . . 5.800 2.431 2.163 2.822 . 0 0 "[ . 1 .]" 1
981 1 31 THR HA 1 36 ILE MG . . 5.800 3.742 3.442 3.998 . 0 0 "[ . 1 .]" 1
982 1 36 ILE MG 1 59 MET QG . . 6.400 3.275 2.036 4.419 . 0 0 "[ . 1 .]" 1
983 1 36 ILE MG 1 59 MET QB . . 6.400 2.832 2.288 3.885 . 0 0 "[ . 1 .]" 1
984 1 36 ILE MG 1 59 MET ME . . 5.800 4.186 3.112 5.096 . 0 0 "[ . 1 .]" 1
985 1 36 ILE MG 1 59 MET HA . . 6.200 3.043 2.666 3.511 . 0 0 "[ . 1 .]" 1
986 1 36 ILE MG 1 57 LEU HA . . 6.200 3.352 3.095 3.687 . 0 0 "[ . 1 .]" 1
987 1 36 ILE MG 1 38 LEU HA . . 6.800 3.805 3.443 4.117 . 0 0 "[ . 1 .]" 1
988 1 36 ILE MD 1 59 MET QG . . 6.800 3.367 2.541 4.486 . 0 0 "[ . 1 .]" 1
989 1 36 ILE MD 1 59 MET QB . . 6.800 3.464 2.709 4.350 . 0 0 "[ . 1 .]" 1
990 1 34 ASN HB2 1 36 ILE MD . . 6.400 3.168 2.433 4.192 . 0 0 "[ . 1 .]" 1
991 1 34 ASN HB3 1 36 ILE MD . . 6.400 3.069 2.470 4.452 . 0 0 "[ . 1 .]" 1
992 1 36 ILE MD 1 66 LYS QE . . 6.800 5.125 3.118 6.488 . 0 0 "[ . 1 .]" 1
993 1 36 ILE MD 1 66 LYS HA . . 6.400 5.733 4.551 6.405 0.005 12 0 "[ . 1 .]" 1
994 1 36 ILE MD 1 67 LEU HA . . 6.400 3.221 2.264 4.041 . 0 0 "[ . 1 .]" 1
995 1 11 VAL MG2 1 67 LEU MD1 . . 6.400 2.839 2.266 4.081 . 0 0 "[ . 1 .]" 1
996 1 11 VAL MG2 1 67 LEU MD2 . . 6.000 3.786 2.695 4.780 . 0 0 "[ . 1 .]" 1
997 1 36 ILE MD 1 67 LEU MD1 . . 6.400 2.697 2.236 4.168 . 0 0 "[ . 1 .]" 1
998 1 36 ILE MD 1 67 LEU MD2 . . 6.800 4.339 3.940 4.991 . 0 0 "[ . 1 .]" 1
999 1 59 MET ME 1 67 LEU MD1 . . 6.000 3.489 2.415 4.483 . 0 0 "[ . 1 .]" 1
1000 1 59 MET ME 1 67 LEU MD2 . . 6.000 3.719 2.330 5.033 . 0 0 "[ . 1 .]" 1
1001 1 59 MET ME 1 67 LEU HA . . 6.400 3.874 2.960 4.706 . 0 0 "[ . 1 .]" 1
1002 1 59 MET ME 1 66 LYS HA . . 6.400 5.177 4.509 6.448 0.048 13 0 "[ . 1 .]" 1
1003 1 59 MET ME 1 66 LYS QE . . 6.800 3.869 1.986 5.559 . 0 0 "[ . 1 .]" 1
1004 1 59 MET ME 1 64 PRO HA . . 5.400 4.450 2.433 5.432 0.032 7 0 "[ . 1 .]" 1
1005 1 59 MET ME 1 64 PRO HD2 . . 6.800 5.602 4.839 6.588 . 0 0 "[ . 1 .]" 1
1006 1 59 MET ME 1 64 PRO HD3 . . 6.800 5.049 4.104 5.954 . 0 0 "[ . 1 .]" 1
1007 1 59 MET ME 1 63 THR HA . . 6.800 4.471 3.900 5.420 . 0 0 "[ . 1 .]" 1
1008 1 59 MET ME 1 63 THR HB . . 6.400 2.912 1.890 4.019 . 0 0 "[ . 1 .]" 1
1009 1 59 MET ME 1 62 HIS HA . . 6.800 3.422 2.046 4.903 . 0 0 "[ . 1 .]" 1
1010 1 57 LEU MD1 1 67 LEU MD1 . . 6.800 3.152 2.320 4.887 . 0 0 "[ . 1 .]" 1
1011 1 31 THR MG 1 57 LEU MD2 . . 6.400 2.131 1.952 3.139 . 0 0 "[ . 1 .]" 1
1012 1 41 ILE MG 1 43 THR MG . . 6.800 3.375 2.174 4.100 . 0 0 "[ . 1 .]" 1
1013 1 24 ARG HA 1 41 ILE MG . . 6.400 4.131 3.489 4.734 . 0 0 "[ . 1 .]" 1
1014 1 24 ARG HA 1 41 ILE MD . . 6.000 3.454 2.784 4.010 . 0 0 "[ . 1 .]" 1
1015 1 24 ARG QD 1 41 ILE MD . . 6.800 3.409 2.648 4.067 . 0 0 "[ . 1 .]" 1
1016 1 27 ILE MD 1 41 ILE MD . . 5.800 3.196 2.450 4.180 . 0 0 "[ . 1 .]" 1
1017 1 43 THR MG 1 51 ILE MD . . 5.800 3.422 1.997 4.692 . 0 0 "[ . 1 .]" 1
1018 1 17 PRO HA 1 51 ILE MD . . 4.800 2.999 2.001 3.941 . 0 0 "[ . 1 .]" 1
1019 1 17 PRO HA 1 51 ILE MG . . 6.400 2.708 1.880 3.919 . 0 0 "[ . 1 .]" 1
1020 1 17 PRO HA 1 51 ILE HB . . 4.800 3.268 2.217 4.226 . 0 0 "[ . 1 .]" 1
1021 1 20 GLU HA 1 51 ILE MD . . 5.800 5.321 4.978 5.760 . 0 0 "[ . 1 .]" 1
1022 1 45 PRO HA 1 51 ILE MG . . 6.400 4.067 3.487 4.624 . 0 0 "[ . 1 .]" 1
1023 1 9 TYR HD1 1 85 TRP HE3 . . 3.000 2.548 2.278 2.897 . 0 0 "[ . 1 .]" 1
1024 1 9 TYR HE1 1 85 TRP HE3 . . 4.000 4.025 3.941 4.072 0.072 14 0 "[ . 1 .]" 1
1025 1 9 TYR HD1 1 85 TRP HZ3 . . 4.000 2.723 2.424 3.479 . 0 0 "[ . 1 .]" 1
1026 1 9 TYR HE1 1 85 TRP HZ3 . . 4.000 2.351 2.024 2.887 . 0 0 "[ . 1 .]" 1
1027 1 9 TYR HD1 1 85 TRP HH2 . . 5.800 5.078 4.681 5.811 0.011 6 0 "[ . 1 .]" 1
1028 1 9 TYR HE1 1 85 TRP HH2 . . 5.400 4.096 3.449 4.843 . 0 0 "[ . 1 .]" 1
1029 1 67 LEU MD1 1 85 TRP HE3 . . 6.000 4.546 3.554 4.952 . 0 0 "[ . 1 .]" 1
1030 1 67 LEU MD2 1 85 TRP HE3 . . 6.400 3.164 2.544 3.861 . 0 0 "[ . 1 .]" 1
1031 1 67 LEU MD1 1 85 TRP HD1 . . 6.800 5.356 4.312 5.925 . 0 0 "[ . 1 .]" 1
1032 1 67 LEU MD1 1 85 TRP HB2 . . 6.400 4.208 3.785 4.752 . 0 0 "[ . 1 .]" 1
1033 1 67 LEU MD1 1 85 TRP HB3 . . 6.400 4.447 3.670 5.053 . 0 0 "[ . 1 .]" 1
1034 1 71 VAL MG2 1 85 TRP HD1 . . 4.800 2.647 2.003 3.390 . 0 0 "[ . 1 .]" 1
1035 1 71 VAL MG1 1 85 TRP HD1 . . 5.000 2.435 2.022 2.779 . 0 0 "[ . 1 .]" 1
1036 1 85 TRP HE3 1 87 ALA MB . . 5.800 3.825 3.157 4.532 . 0 0 "[ . 1 .]" 1
1037 1 85 TRP HZ3 1 87 ALA MB . . 5.400 2.827 2.013 3.588 . 0 0 "[ . 1 .]" 1
1038 1 84 HIS HA 1 85 TRP HD1 . . 4.000 3.904 3.621 4.047 0.047 8 0 "[ . 1 .]" 1
1039 1 9 TYR HD2 1 67 LEU MD2 . . 6.400 3.756 3.043 6.049 . 0 0 "[ . 1 .]" 1
1040 1 9 TYR HE2 1 67 LEU MD2 . . 6.800 4.025 3.179 6.466 . 0 0 "[ . 1 .]" 1
1041 1 9 TYR HD1 1 87 ALA MB . . 4.800 2.732 2.524 3.185 . 0 0 "[ . 1 .]" 1
1042 1 9 TYR HE1 1 87 ALA MB . . 4.800 2.205 2.022 2.601 . 0 0 "[ . 1 .]" 1
1043 1 9 TYR HB2 1 67 LEU MD1 . . 6.000 3.671 3.125 3.992 . 0 0 "[ . 1 .]" 1
1044 1 9 TYR HB3 1 67 LEU MD1 . . 6.000 3.656 3.152 4.093 . 0 0 "[ . 1 .]" 1
1045 1 9 TYR HB2 1 67 LEU MD2 . . 6.000 3.815 3.124 5.599 . 0 0 "[ . 1 .]" 1
1046 1 9 TYR HB3 1 67 LEU MD2 . . 6.000 3.309 2.615 4.756 . 0 0 "[ . 1 .]" 1
1047 1 15 CYS HA 1 81 TYR QD . . 3.200 2.009 1.870 2.151 . 0 0 "[ . 1 .]" 1
1048 1 15 CYS HA 1 81 TYR QE . . 4.400 3.488 3.038 3.953 . 0 0 "[ . 1 .]" 1
1049 1 16 ARG QB 1 81 TYR QE . . 6.000 3.429 1.991 4.175 . 0 0 "[ . 1 .]" 1
1050 1 16 ARG QG 1 81 TYR QE . . 6.400 2.890 2.036 3.863 . 0 0 "[ . 1 .]" 1
1051 1 16 ARG QD 1 81 TYR QE . . 6.400 3.027 1.916 4.383 . 0 0 "[ . 1 .]" 1
1052 1 50 ASN HB2 1 81 TYR QD . . 6.400 4.111 3.488 5.037 . 0 0 "[ . 1 .]" 1
1053 1 50 ASN HB3 1 81 TYR QD . . 6.400 3.292 2.734 4.008 . 0 0 "[ . 1 .]" 1
1054 1 50 ASN HB2 1 81 TYR QE . . 6.400 4.014 3.558 5.303 . 0 0 "[ . 1 .]" 1
1055 1 50 ASN HB3 1 81 TYR QE . . 6.400 2.598 2.140 3.879 . 0 0 "[ . 1 .]" 1
1056 1 14 ILE MG 1 81 TYR QD . . 5.000 3.033 2.381 3.819 . 0 0 "[ . 1 .]" 1
1057 1 14 ILE MG 1 81 TYR HB2 . . 5.800 2.395 2.001 2.660 . 0 0 "[ . 1 .]" 1
1058 1 14 ILE MG 1 81 TYR HB3 . . 5.800 3.510 2.988 3.835 . 0 0 "[ . 1 .]" 1
1059 1 14 ILE MG 1 50 ASN HB2 . . 5.400 2.797 2.086 4.991 . 0 0 "[ . 1 .]" 1
1060 1 14 ILE MG 1 50 ASN HB3 . . 5.400 3.373 2.411 5.286 . 0 0 "[ . 1 .]" 1
1061 1 23 VAL HA 1 26 HIS HB2 . . 3.600 3.355 3.036 3.646 0.046 3 0 "[ . 1 .]" 1
1062 1 23 VAL HA 1 26 HIS HB3 . . 3.600 2.592 2.361 2.897 . 0 0 "[ . 1 .]" 1
1063 1 23 VAL HA 1 26 HIS HD2 . . 4.800 4.785 4.396 4.851 0.051 2 0 "[ . 1 .]" 1
1064 1 26 HIS HD2 1 27 ILE HA . . 4.200 3.611 3.192 4.069 . 0 0 "[ . 1 .]" 1
1065 1 23 VAL HA 1 74 LEU MD2 . . 5.400 3.570 1.958 4.894 . 0 0 "[ . 1 .]" 1
1066 1 27 ILE HA 1 74 LEU MD2 . . 6.400 3.118 2.544 4.361 . 0 0 "[ . 1 .]" 1
1067 1 26 HIS HB2 1 74 LEU MD2 . . 6.400 4.404 3.200 5.186 . 0 0 "[ . 1 .]" 1
1068 1 26 HIS HB3 1 74 LEU MD2 . . 6.400 3.123 2.124 3.875 . 0 0 "[ . 1 .]" 1
1069 1 26 HIS HD2 1 74 LEU MD2 . . 5.400 2.045 1.884 2.324 . 0 0 "[ . 1 .]" 1
1070 1 26 HIS HD2 1 74 LEU MD1 . . 6.000 4.370 2.472 4.876 . 0 0 "[ . 1 .]" 1
1071 1 19 ALA HA 1 22 TYR HD1 . . 4.800 4.548 4.195 4.845 0.045 2 0 "[ . 1 .]" 1
1072 1 19 ALA HA 1 22 TYR HE1 . . 4.800 3.875 3.360 4.429 . 0 0 "[ . 1 .]" 1
1073 1 19 ALA MB 1 22 TYR HD1 . . 5.800 4.422 4.037 4.914 . 0 0 "[ . 1 .]" 1
1074 1 19 ALA MB 1 22 TYR HE1 . . 6.400 3.229 2.714 4.029 . 0 0 "[ . 1 .]" 1
1075 1 22 TYR HD1 1 23 VAL HA . . 4.200 3.332 2.972 3.589 . 0 0 "[ . 1 .]" 1
1076 1 22 TYR HE1 1 23 VAL HA . . 5.000 4.883 4.336 5.028 0.028 3 0 "[ . 1 .]" 1
1077 1 22 TYR HD1 1 23 VAL MG2 . . 5.800 2.940 2.663 3.334 . 0 0 "[ . 1 .]" 1
1078 1 22 TYR HE1 1 23 VAL MG2 . . 6.400 3.016 2.716 3.419 . 0 0 "[ . 1 .]" 1
1079 1 22 TYR HE1 1 80 VAL MG2 . . 6.400 4.577 3.764 5.538 . 0 0 "[ . 1 .]" 1
1080 1 22 TYR HE1 1 74 LEU MD2 . . 6.800 6.398 4.752 6.839 0.039 12 0 "[ . 1 .]" 1
1081 1 22 TYR HE1 1 77 GLN QB . . 5.400 3.243 2.181 4.797 . 0 0 "[ . 1 .]" 1
1082 1 22 TYR HD1 1 77 GLN QB . . 6.400 4.156 3.265 5.426 . 0 0 "[ . 1 .]" 1
1083 1 21 THR MG 1 22 TYR HD2 . . 6.200 4.695 4.114 5.276 . 0 0 "[ . 1 .]" 1
1084 1 21 THR HB 1 22 TYR HD2 . . 6.000 3.909 3.289 4.672 . 0 0 "[ . 1 .]" 1
1085 1 62 HIS HD2 1 85 TRP HH2 . . 5.400 5.316 4.759 5.511 0.111 15 0 "[ . 1 .]" 1
1086 1 9 TYR HE2 1 62 HIS HD2 . . 4.000 3.530 2.438 4.076 0.076 13 0 "[ . 1 .]" 1
1087 1 35 ASP HB2 1 60 VAL MG2 . . 6.400 4.370 3.470 5.505 . 0 0 "[ . 1 .]" 1
1088 1 35 ASP HB3 1 60 VAL MG2 . . 6.400 3.267 2.462 4.226 . 0 0 "[ . 1 .]" 1
1089 1 53 LEU MD2 1 55 ALA HA . . 6.800 5.817 5.436 6.343 . 0 0 "[ . 1 .]" 1
1090 1 10 GLN HE21 1 89 GLU HA . . 4.000 3.090 1.908 4.096 0.096 8 0 "[ . 1 .]" 1
1091 1 10 GLN HE21 1 87 ALA HA . . 5.800 5.167 3.934 5.790 . 0 0 "[ . 1 .]" 1
1092 1 64 PRO HA 1 67 LEU MD2 . . 6.400 3.432 3.005 4.130 . 0 0 "[ . 1 .]" 1
1093 1 64 PRO HA 1 67 LEU HB3 . . 3.600 2.698 2.345 3.148 . 0 0 "[ . 1 .]" 1
1094 1 62 HIS HD2 1 63 THR MG . . 6.400 6.141 5.685 6.408 0.008 6 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 4
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 1.273
_Distance_constraint_stats_list.Viol_max 0.085
_Distance_constraint_stats_list.Viol_rms 0.0110
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0849
_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 6 LEU 0.085 0.085 8 0 "[ . 1 .]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 61 GLY 0.085 0.085 8 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 46 ALA H 1 48 ASP H . 4.000 . 4.745 4.330 5.604 . 0 0 "[ . 1 .]" 2
2 1 45 PRO HB2 1 48 ASP H . 4.800 . 6.264 5.638 6.719 . 0 0 "[ . 1 .]" 2
3 1 45 PRO HB3 1 48 ASP H . 4.800 . 6.734 5.458 7.712 . 0 0 "[ . 1 .]" 2
4 1 6 LEU H 1 61 GLY H . 5.000 . 5.880 4.915 6.641 0.085 8 0 "[ . 1 .]" 2
stop_
save_
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