NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
384040 |
1k8o   |
5078 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1k8o
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 868
_Distance_constraint_stats_list.Viol_count 1123
_Distance_constraint_stats_list.Viol_total 1440.970
_Distance_constraint_stats_list.Viol_max 1.280
_Distance_constraint_stats_list.Viol_rms 0.0300
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0642
_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 3 GLN 1.357 0.188 8 0 "[ . 1 . 2]"
1 4 VAL 3.234 0.188 8 0 "[ . 1 . 2]"
1 5 VAL 1.947 0.156 7 0 "[ . 1 . 2]"
1 6 GLN 5.795 1.280 11 1 "[ . 1+ . 2]"
1 7 PHE 1.969 0.117 10 0 "[ . 1 . 2]"
1 8 LYS 3.841 0.832 16 3 "[ . * 1 -.+ 2]"
1 9 LEU 7.935 0.265 14 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.185 0.090 13 0 "[ . 1 . 2]"
1 12 ILE 3.585 0.280 2 0 "[ . 1 . 2]"
1 13 GLY 0.280 0.280 2 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 4.140 0.218 10 0 "[ . 1 . 2]"
1 17 ARG 0.260 0.071 8 0 "[ . 1 . 2]"
1 18 GLU 1.783 0.218 10 0 "[ . 1 . 2]"
1 19 VAL 1.316 0.075 5 0 "[ . 1 . 2]"
1 20 THR 2.097 0.218 9 0 "[ . 1 . 2]"
1 21 VAL 0.786 0.074 20 0 "[ . 1 . 2]"
1 22 LYS 0.111 0.034 4 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 TRP 1.097 0.088 15 0 "[ . 1 . 2]"
1 25 TYR 0.072 0.037 4 0 "[ . 1 . 2]"
1 26 VAL 1.849 0.115 3 0 "[ . 1 . 2]"
1 27 LYS 2.487 0.843 6 1 "[ .+ 1 . 2]"
1 28 GLU 2.816 0.717 12 1 "[ . 1 + . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.027 0.017 9 0 "[ . 1 . 2]"
1 31 THR 1.460 0.133 11 0 "[ . 1 . 2]"
1 32 VAL 4.960 0.115 3 0 "[ . 1 . 2]"
1 33 SER 0.553 0.553 4 1 "[ +. 1 . 2]"
1 34 GLN 0.924 0.553 4 1 "[ +. 1 . 2]"
1 35 PHE 0.207 0.046 11 0 "[ . 1 . 2]"
1 36 ASP 0.215 0.037 4 0 "[ . 1 . 2]"
1 37 SER 0.432 0.088 7 0 "[ . 1 . 2]"
1 38 ILE 5.596 0.135 12 0 "[ . 1 . 2]"
1 39 CYS 0.004 0.004 3 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 0.436 0.055 6 0 "[ . 1 . 2]"
1 42 GLN 0.958 0.074 20 0 "[ . 1 . 2]"
1 43 SER 0.051 0.022 18 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 0.185 0.090 13 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 SER 0.028 0.028 19 0 "[ . 1 . 2]"
1 48 VAL 0.334 0.038 14 0 "[ . 1 . 2]"
1 49 THR 0.356 0.066 1 0 "[ . 1 . 2]"
1 50 ILE 0.907 0.064 20 0 "[ . 1 . 2]"
1 51 THR 0.138 0.117 16 0 "[ . 1 . 2]"
1 52 SER 0.321 0.117 16 0 "[ . 1 . 2]"
1 53 ARG 0.930 0.128 7 0 "[ . 1 . 2]"
1 54 TYR 0.102 0.055 5 0 "[ . 1 . 2]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.417 0.051 14 0 "[ . 1 . 2]"
1 57 VAL 0.347 0.060 20 0 "[ . 1 . 2]"
1 58 ILE 3.360 0.120 11 0 "[ . 1 . 2]"
1 59 LYS 1.617 0.089 7 0 "[ . 1 . 2]"
1 60 LYS 2.441 0.626 16 2 "[ . 1- .+ 2]"
1 61 LEU 4.032 0.717 12 1 "[ . 1 + . 2]"
1 62 TYR 0.053 0.053 18 0 "[ . 1 . 2]"
1 63 TYR 0.183 0.049 7 0 "[ . 1 . 2]"
1 64 ASN 7.655 0.843 6 1 "[ .+ 1 . 2]"
1 65 LEU 4.061 0.215 13 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASP 0.449 0.068 14 0 "[ . 1 . 2]"
1 68 ILE 5.783 0.265 14 0 "[ . 1 . 2]"
1 69 ALA 0.303 0.112 15 0 "[ . 1 . 2]"
1 70 TYR 0.040 0.040 2 0 "[ . 1 . 2]"
1 71 VAL 0.254 0.076 19 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 5.981 0.968 2 4 "[ + * *1 . * 2]"
1 74 PRO 5.963 0.968 2 2 "[ + - 1 . 2]"
1 75 LEU 2.156 0.154 13 0 "[ . 1 . 2]"
1 76 VAL 1.902 0.217 17 0 "[ . 1 . 2]"
1 77 ASP 3.260 0.626 16 2 "[ . 1- .+ 2]"
1 78 ILE 5.079 1.280 11 1 "[ . 1+ . 2]"
1 79 GLU 0.712 0.052 1 0 "[ . 1 . 2]"
1 80 THR 2.958 0.156 7 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ASP 1.400 0.592 2 1 "[ + . 1 . 2]"
1 86 LEU 4.764 0.832 16 4 "[ - . * 1 *.+ 2]"
1 87 GLU 0.093 0.068 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLN HA 1 4 VAL H 3.300 . 4.600 2.260 2.133 2.309 . 0 0 "[ . 1 . 2]" 1
2 1 4 VAL H 1 4 VAL HB 3.800 . 5.600 3.833 3.709 3.928 . 0 0 "[ . 1 . 2]" 1
3 1 4 VAL H 1 4 VAL QG 3.900 . 5.800 2.100 1.970 2.277 0.030 14 0 "[ . 1 . 2]" 1
4 1 4 VAL HA 1 5 VAL H 2.100 . 2.700 2.230 2.188 2.261 . 0 0 "[ . 1 . 2]" 1
5 1 4 VAL QG 1 5 VAL H 3.800 . 5.600 3.331 3.296 3.361 . 0 0 "[ . 1 . 2]" 1
6 1 5 VAL H 1 5 VAL HA 3.000 . 4.100 2.931 2.928 2.934 . 0 0 "[ . 1 . 2]" 1
7 1 5 VAL H 1 5 VAL HB 3.100 . 4.300 3.682 3.643 3.704 . 0 0 "[ . 1 . 2]" 1
8 1 5 VAL H 1 77 ASP HA 4.600 . 6.000 4.984 4.733 5.256 . 0 0 "[ . 1 . 2]" 1
9 1 5 VAL H 1 78 ILE HB 3.700 . 5.400 4.230 4.044 4.404 . 0 0 "[ . 1 . 2]" 1
10 1 5 VAL H 1 78 ILE H 2.800 . 3.800 3.348 3.080 3.574 . 0 0 "[ . 1 . 2]" 1
11 1 5 VAL H 1 79 GLU HA 3.100 . 4.300 2.729 2.487 3.061 . 0 0 "[ . 1 . 2]" 1
12 1 5 VAL H 1 80 THR H 3.700 . 5.400 3.269 2.922 3.558 . 0 0 "[ . 1 . 2]" 1
13 1 4 VAL QG 1 6 GLN H 3.700 . 5.400 4.348 4.002 4.872 . 0 0 "[ . 1 . 2]" 1
14 1 5 VAL HA 1 6 GLN H 2.100 . 2.700 2.174 2.134 2.217 . 0 0 "[ . 1 . 2]" 1
15 1 5 VAL HB 1 6 GLN H 3.600 . 5.200 3.254 3.029 3.436 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL MG1 1 6 GLN H 4.100 . 6.000 3.988 3.855 4.123 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL MG2 1 6 GLN H 3.800 . 5.600 3.936 3.775 4.142 . 0 0 "[ . 1 . 2]" 1
18 1 6 GLN H 1 6 GLN HA 2.900 . 3.900 2.919 2.897 2.934 . 0 0 "[ . 1 . 2]" 1
19 1 6 GLN H 1 6 GLN QB 3.400 . 3.400 2.366 2.175 2.561 . 0 0 "[ . 1 . 2]" 1
20 1 6 GLN QB 1 6 GLN HE22 4.300 . 6.000 3.316 3.121 4.285 . 0 0 "[ . 1 . 2]" 1
21 1 6 GLN HE21 1 6 GLN QG 3.100 . 4.300 2.543 2.147 2.807 . 0 0 "[ . 1 . 2]" 1
22 1 6 GLN H 1 6 GLN QG 3.300 . 4.600 3.200 2.718 4.101 . 0 0 "[ . 1 . 2]" 1
23 1 6 GLN HA 1 7 PHE H 2.000 . 2.500 2.195 2.135 2.230 . 0 0 "[ . 1 . 2]" 1
24 1 6 GLN QB 1 7 PHE H 3.200 . 4.500 2.923 2.712 3.453 . 0 0 "[ . 1 . 2]" 1
25 1 6 GLN HE21 1 7 PHE H 4.700 . 6.000 5.642 5.121 5.926 . 0 0 "[ . 1 . 2]" 1
26 1 6 GLN QG 1 7 PHE H 4.300 . 6.000 3.632 1.986 4.089 0.014 12 0 "[ . 1 . 2]" 1
27 1 7 PHE H 1 7 PHE HA 3.000 . 4.100 2.929 2.921 2.940 . 0 0 "[ . 1 . 2]" 1
28 1 7 PHE H 1 7 PHE QB 2.400 . 3.100 2.288 2.246 2.357 . 0 0 "[ . 1 . 2]" 1
29 1 7 PHE H 1 7 PHE QE 4.900 . 6.000 6.069 5.927 6.117 0.117 10 0 "[ . 1 . 2]" 1
30 1 7 PHE H 1 76 VAL MG1 3.100 . 4.300 2.322 1.919 2.748 . 0 0 "[ . 1 . 2]" 1
31 1 7 PHE H 1 76 VAL MG2 5.200 . 6.000 4.263 3.973 4.666 . 0 0 "[ . 1 . 2]" 1
32 1 7 PHE H 1 76 VAL H 3.000 . 4.100 2.931 2.605 3.221 . 0 0 "[ . 1 . 2]" 1
33 1 7 PHE H 1 77 ASP HA 3.500 . 5.000 3.743 3.465 4.091 . 0 0 "[ . 1 . 2]" 1
34 1 7 PHE H 1 78 ILE MD 3.700 . 5.400 2.640 1.971 2.935 0.029 11 0 "[ . 1 . 2]" 1
35 1 7 PHE HA 1 8 LYS H 3.100 . 4.300 2.177 2.135 2.243 . 0 0 "[ . 1 . 2]" 1
36 1 8 LYS H 1 8 LYS QB 3.500 . 5.000 2.747 2.350 3.017 . 0 0 "[ . 1 . 2]" 1
37 1 8 LYS HA 1 9 LEU H 2.100 . 2.700 2.218 2.141 2.250 . 0 0 "[ . 1 . 2]" 1
38 1 8 LYS QB 1 9 LEU H 3.300 . 4.700 3.131 2.703 3.781 . 0 0 "[ . 1 . 2]" 1
39 1 9 LEU H 1 9 LEU QB 2.400 . 3.100 2.195 2.141 2.229 . 0 0 "[ . 1 . 2]" 1
40 1 9 LEU H 1 9 LEU MD1 4.100 . 6.000 4.150 4.088 4.322 . 0 0 "[ . 1 . 2]" 1
41 1 9 LEU H 1 9 LEU HG 4.400 . 6.000 4.565 4.498 4.603 . 0 0 "[ . 1 . 2]" 1
42 1 9 LEU H 1 74 PRO HA 3.900 . 5.800 4.123 3.533 4.766 . 0 0 "[ . 1 . 2]" 1
43 1 9 LEU HA 1 10 SER H 2.700 . 3.600 2.164 2.134 2.230 . 0 0 "[ . 1 . 2]" 1
44 1 9 LEU MD1 1 10 SER H 3.200 . 4.500 2.774 2.152 3.077 . 0 0 "[ . 1 . 2]" 1
45 1 12 ILE H 1 12 ILE HB 3.000 . 4.100 3.201 2.281 3.704 . 0 0 "[ . 1 . 2]" 1
46 1 12 ILE H 1 12 ILE QG 2.800 . 3.800 2.583 2.022 3.656 . 0 0 "[ . 1 . 2]" 1
47 1 12 ILE H 1 12 ILE MG 3.600 . 5.200 3.384 2.024 3.840 . 0 0 "[ . 1 . 2]" 1
48 1 12 ILE H 1 13 GLY H 3.500 . 5.000 4.418 3.231 4.565 . 0 0 "[ . 1 . 2]" 1
49 1 15 GLY QA 1 16 ILE H 2.800 . 3.800 2.759 2.470 2.892 . 0 0 "[ . 1 . 2]" 1
50 1 16 ILE H 1 16 ILE HB 2.800 . 3.800 3.725 3.600 3.872 0.072 19 0 "[ . 1 . 2]" 1
51 1 16 ILE H 1 16 ILE MD 3.400 . 4.800 3.749 1.943 4.132 0.057 14 0 "[ . 1 . 2]" 1
52 1 16 ILE H 1 16 ILE QG 2.900 . 3.900 2.415 2.225 3.136 . 0 0 "[ . 1 . 2]" 1
53 1 18 GLU H 1 18 GLU HA 2.700 . 3.600 2.929 2.924 2.934 . 0 0 "[ . 1 . 2]" 1
54 1 18 GLU H 1 18 GLU QB 2.900 . 4.000 2.374 2.303 2.479 . 0 0 "[ . 1 . 2]" 1
55 1 18 GLU H 1 18 GLU QG 3.200 . 4.400 3.042 2.451 3.558 . 0 0 "[ . 1 . 2]" 1
56 1 18 GLU QB 1 19 VAL H 3.200 . 4.500 2.243 2.198 2.349 . 0 0 "[ . 1 . 2]" 1
57 1 19 VAL H 1 19 VAL HA 3.000 . 4.100 2.957 2.950 2.962 . 0 0 "[ . 1 . 2]" 1
58 1 19 VAL H 1 19 VAL HB 3.100 . 4.300 3.058 2.959 3.172 . 0 0 "[ . 1 . 2]" 1
59 1 19 VAL H 1 19 VAL MG1 2.400 . 3.100 2.174 2.053 2.398 . 0 0 "[ . 1 . 2]" 1
60 1 19 VAL H 1 19 VAL MG2 3.900 . 5.800 3.936 3.913 3.967 . 0 0 "[ . 1 . 2]" 1
61 1 19 VAL HA 1 20 THR H 2.300 . 2.900 2.230 2.200 2.279 . 0 0 "[ . 1 . 2]" 1
62 1 19 VAL MG1 1 20 THR H 3.500 . 5.000 3.566 3.456 3.653 . 0 0 "[ . 1 . 2]" 1
63 1 19 VAL MG2 1 20 THR H 2.900 . 3.900 2.064 1.942 2.153 . 0 0 "[ . 1 . 2]" 1
64 1 20 THR H 1 20 THR HA 2.700 . 3.600 2.930 2.922 2.934 . 0 0 "[ . 1 . 2]" 1
65 1 20 THR H 1 20 THR HB 2.500 . 3.300 2.888 2.303 3.070 . 0 0 "[ . 1 . 2]" 1
66 1 20 THR H 1 20 THR MG 4.100 . 6.000 3.751 3.474 3.813 . 0 0 "[ . 1 . 2]" 1
67 1 20 THR H 1 41 VAL HB 3.300 . 4.700 4.291 4.148 4.426 . 0 0 "[ . 1 . 2]" 1
68 1 20 THR HA 1 21 VAL H 2.100 . 2.600 2.333 2.298 2.385 . 0 0 "[ . 1 . 2]" 1
69 1 20 THR HB 1 21 VAL H 3.200 . 4.500 3.291 3.016 3.922 . 0 0 "[ . 1 . 2]" 1
70 1 20 THR MG 1 21 VAL H 2.400 . 3.100 1.981 1.915 2.194 . 0 0 "[ . 1 . 2]" 1
71 1 21 VAL H 1 21 VAL HA 2.600 . 3.500 2.891 2.886 2.911 . 0 0 "[ . 1 . 2]" 1
72 1 21 VAL H 1 21 VAL MG1 3.300 . 4.600 3.794 3.780 3.806 . 0 0 "[ . 1 . 2]" 1
73 1 21 VAL H 1 21 VAL MG2 2.300 . 3.000 2.295 2.122 2.422 . 0 0 "[ . 1 . 2]" 1
74 1 21 VAL H 1 42 GLN H 4.200 . 6.000 6.028 5.929 6.074 0.074 20 0 "[ . 1 . 2]" 1
75 1 21 VAL H 1 67 ASP H 4.200 . 6.000 4.268 4.198 4.351 . 0 0 "[ . 1 . 2]" 1
76 1 21 VAL H 1 68 ILE HA 3.900 . 5.800 3.861 3.755 3.963 . 0 0 "[ . 1 . 2]" 1
77 1 21 VAL HA 1 22 LYS H 2.200 . 2.800 2.173 2.152 2.198 . 0 0 "[ . 1 . 2]" 1
78 1 21 VAL MG1 1 22 LYS H 3.600 . 5.200 2.469 2.254 2.809 . 0 0 "[ . 1 . 2]" 1
79 1 21 VAL MG2 1 22 LYS H 4.200 . 6.000 4.076 3.987 4.152 . 0 0 "[ . 1 . 2]" 1
80 1 21 VAL H 1 22 LYS H 3.700 . 5.400 4.529 4.401 4.580 . 0 0 "[ . 1 . 2]" 1
81 1 22 LYS H 1 22 LYS HB2 3.500 . 5.000 2.463 2.186 2.865 . 0 0 "[ . 1 . 2]" 1
82 1 22 LYS H 1 22 LYS HB3 2.500 . 3.300 2.880 2.429 3.284 . 0 0 "[ . 1 . 2]" 1
83 1 22 LYS H 1 23 GLU HA 4.900 . 6.000 4.896 4.770 5.104 . 0 0 "[ . 1 . 2]" 1
84 1 22 LYS H 1 23 GLU QB 4.200 . 6.000 4.386 4.163 4.704 . 0 0 "[ . 1 . 2]" 1
85 1 22 LYS H 1 40 GLU H 4.200 . 6.000 3.969 3.719 4.264 . 0 0 "[ . 1 . 2]" 1
86 1 22 LYS H 1 41 VAL HA 2.500 . 3.300 2.207 1.952 2.484 . 0 0 "[ . 1 . 2]" 1
87 1 22 LYS H 1 41 VAL MG1 4.500 . 6.000 3.226 2.945 3.494 . 0 0 "[ . 1 . 2]" 1
88 1 21 VAL HA 1 23 GLU H 3.800 . 5.600 3.825 3.697 3.995 . 0 0 "[ . 1 . 2]" 1
89 1 21 VAL MG1 1 23 GLU H 2.900 . 4.000 2.338 2.160 2.504 . 0 0 "[ . 1 . 2]" 1
90 1 22 LYS HA 1 23 GLU H 3.100 . 4.300 3.496 3.456 3.530 . 0 0 "[ . 1 . 2]" 1
91 1 22 LYS HB3 1 23 GLU H 3.100 . 4.300 2.980 2.731 3.263 . 0 0 "[ . 1 . 2]" 1
92 1 22 LYS H 1 23 GLU H 2.200 . 2.800 2.212 2.048 2.461 . 0 0 "[ . 1 . 2]" 1
93 1 23 GLU H 1 23 GLU HA 2.600 . 3.500 2.930 2.922 2.943 . 0 0 "[ . 1 . 2]" 1
94 1 23 GLU H 1 23 GLU QB 2.700 . 3.600 2.643 2.504 2.904 . 0 0 "[ . 1 . 2]" 1
95 1 23 GLU H 1 24 TRP HA 3.500 . 5.100 4.834 4.762 4.905 . 0 0 "[ . 1 . 2]" 1
96 1 23 GLU H 1 40 GLU QB 2.700 . 3.600 2.599 2.032 2.956 . 0 0 "[ . 1 . 2]" 1
97 1 23 GLU H 1 40 GLU H 2.600 . 3.500 3.014 2.673 3.437 . 0 0 "[ . 1 . 2]" 1
98 1 23 GLU H 1 41 VAL HA 4.400 . 6.000 4.044 3.796 4.228 . 0 0 "[ . 1 . 2]" 1
99 1 23 GLU H 1 65 LEU MD2 3.400 . 4.800 3.606 2.941 4.130 . 0 0 "[ . 1 . 2]" 1
100 1 21 VAL MG1 1 24 TRP HE1 3.100 . 4.300 2.469 2.288 2.601 . 0 0 "[ . 1 . 2]" 1
101 1 23 GLU HA 1 24 TRP H 2.200 . 2.800 2.149 2.120 2.210 . 0 0 "[ . 1 . 2]" 1
102 1 23 GLU QB 1 24 TRP H 3.700 . 5.400 3.396 2.859 3.795 . 0 0 "[ . 1 . 2]" 1
103 1 24 TRP H 1 24 TRP HA 3.000 . 4.200 2.944 2.929 2.951 . 0 0 "[ . 1 . 2]" 1
104 1 24 TRP H 1 24 TRP HB3 3.800 . 5.600 3.563 3.494 3.663 . 0 0 "[ . 1 . 2]" 1
105 1 24 TRP H 1 24 TRP HB2 2.600 . 3.400 2.508 2.393 2.635 . 0 0 "[ . 1 . 2]" 1
106 1 24 TRP HE1 1 64 ASN HA 2.600 . 3.500 2.143 1.950 2.567 . 0 0 "[ . 1 . 2]" 1
107 1 24 TRP HB3 1 25 TYR H 3.200 . 4.500 3.661 3.538 3.717 . 0 0 "[ . 1 . 2]" 1
108 1 24 TRP HE3 1 25 TYR H 3.000 . 4.100 2.683 2.300 3.186 . 0 0 "[ . 1 . 2]" 1
109 1 24 TRP HZ3 1 25 TYR H 3.700 . 5.400 4.596 4.257 5.088 . 0 0 "[ . 1 . 2]" 1
110 1 25 TYR H 1 25 TYR HA 2.900 . 4.000 2.949 2.938 2.954 . 0 0 "[ . 1 . 2]" 1
111 1 25 TYR H 1 25 TYR QB 2.600 . 3.500 2.417 2.328 2.542 . 0 0 "[ . 1 . 2]" 1
112 1 25 TYR H 1 26 VAL H 2.200 . 2.800 2.511 2.112 2.778 . 0 0 "[ . 1 . 2]" 1
113 1 25 TYR H 1 38 ILE QG 4.500 . 6.000 5.815 5.488 6.002 0.002 8 0 "[ . 1 . 2]" 1
114 1 24 TRP HB3 1 26 VAL H 2.800 . 3.800 3.353 3.134 3.761 . 0 0 "[ . 1 . 2]" 1
115 1 24 TRP HB2 1 26 VAL H 4.500 . 6.000 4.929 4.716 5.231 . 0 0 "[ . 1 . 2]" 1
116 1 24 TRP HE3 1 26 VAL H 3.200 . 4.500 2.616 2.151 2.955 . 0 0 "[ . 1 . 2]" 1
117 1 26 VAL H 1 26 VAL HA 2.700 . 3.600 2.901 2.869 2.943 . 0 0 "[ . 1 . 2]" 1
118 1 26 VAL H 1 26 VAL MG2 2.600 . 3.400 2.438 1.994 2.609 . 0 0 "[ . 1 . 2]" 1
119 1 26 VAL H 1 26 VAL MG1 2.900 . 3.900 2.994 2.642 3.508 . 0 0 "[ . 1 . 2]" 1
120 1 26 VAL HA 1 27 LYS H 2.000 . 2.500 2.404 2.339 2.474 . 0 0 "[ . 1 . 2]" 1
121 1 26 VAL HB 1 27 LYS H 2.100 . 2.600 2.464 2.314 2.626 0.026 4 0 "[ . 1 . 2]" 1
122 1 26 VAL MG2 1 27 LYS H 3.700 . 5.400 3.324 2.993 3.645 . 0 0 "[ . 1 . 2]" 1
123 1 26 VAL MG1 1 27 LYS H 3.100 . 4.300 3.781 3.393 3.875 . 0 0 "[ . 1 . 2]" 1
124 1 27 LYS H 1 27 LYS HA 2.500 . 3.300 2.924 2.901 2.945 . 0 0 "[ . 1 . 2]" 1
125 1 27 LYS H 1 27 LYS QB 2.600 . 3.500 2.652 2.496 2.781 . 0 0 "[ . 1 . 2]" 1
126 1 27 LYS H 1 30 ASP QB 2.600 . 3.500 2.000 1.879 2.207 . 0 0 "[ . 1 . 2]" 1
127 1 27 LYS H 1 58 ILE HB 3.700 . 5.400 4.022 3.759 4.452 . 0 0 "[ . 1 . 2]" 1
128 1 27 LYS HA 1 28 GLU H 1.900 . 2.400 2.403 2.341 2.461 0.061 8 0 "[ . 1 . 2]" 1
129 1 27 LYS QB 1 28 GLU H 2.100 . 2.700 2.506 2.204 2.717 0.017 5 0 "[ . 1 . 2]" 1
130 1 28 GLU H 1 28 GLU HA 2.300 . 3.000 2.778 2.704 2.811 . 0 0 "[ . 1 . 2]" 1
131 1 28 GLU H 1 28 GLU QB 2.400 . 3.100 2.757 2.692 2.980 . 0 0 "[ . 1 . 2]" 1
132 1 28 GLU H 1 28 GLU QG 2.300 . 2.900 1.995 1.817 2.169 . 0 0 "[ . 1 . 2]" 1
133 1 28 GLU H 1 58 ILE MG 3.800 . 5.600 4.533 3.998 4.751 . 0 0 "[ . 1 . 2]" 1
134 1 28 GLU H 1 61 LEU HA 4.200 . 6.000 5.939 5.365 6.083 0.083 6 0 "[ . 1 . 2]" 1
135 1 28 GLU H 1 61 LEU MD1 2.800 . 3.800 2.618 2.054 4.162 0.362 12 0 "[ . 1 . 2]" 1
136 1 28 GLU H 1 61 LEU H 3.500 . 5.000 4.174 3.108 4.428 . 0 0 "[ . 1 . 2]" 1
137 1 28 GLU HA 1 29 GLY H 2.100 . 2.700 2.202 2.188 2.228 . 0 0 "[ . 1 . 2]" 1
138 1 29 GLY H 1 30 ASP H 2.900 . 3.900 2.645 2.583 2.769 . 0 0 "[ . 1 . 2]" 1
139 1 29 GLY H 1 58 ILE HB 3.400 . 4.800 3.984 3.791 4.185 . 0 0 "[ . 1 . 2]" 1
140 1 29 GLY H 1 58 ILE MG 3.500 . 5.100 3.651 3.402 3.835 . 0 0 "[ . 1 . 2]" 1
141 1 26 VAL HB 1 30 ASP H 4.100 . 6.000 5.193 4.884 5.355 . 0 0 "[ . 1 . 2]" 1
142 1 27 LYS H 1 30 ASP H 3.900 . 5.800 3.972 3.835 4.102 . 0 0 "[ . 1 . 2]" 1
143 1 29 GLY QA 1 30 ASP H 3.000 . 4.100 2.928 2.919 2.937 . 0 0 "[ . 1 . 2]" 1
144 1 30 ASP H 1 30 ASP HA 2.600 . 3.400 2.922 2.914 2.937 . 0 0 "[ . 1 . 2]" 1
145 1 30 ASP H 1 30 ASP QB 2.300 . 2.900 2.325 2.223 2.507 . 0 0 "[ . 1 . 2]" 1
146 1 30 ASP H 1 58 ILE HB 2.400 . 3.100 2.997 2.615 3.117 0.017 9 0 "[ . 1 . 2]" 1
147 1 30 ASP H 1 58 ILE MD 3.700 . 5.400 4.535 4.301 4.716 . 0 0 "[ . 1 . 2]" 1
148 1 30 ASP H 1 58 ILE MG 3.600 . 5.200 3.870 3.606 3.990 . 0 0 "[ . 1 . 2]" 1
149 1 30 ASP HA 1 31 THR H 2.200 . 2.800 2.299 2.271 2.314 . 0 0 "[ . 1 . 2]" 1
150 1 30 ASP QB 1 31 THR H 3.000 . 4.100 3.109 2.578 3.364 . 0 0 "[ . 1 . 2]" 1
151 1 31 THR H 1 31 THR HA 2.800 . 3.800 2.930 2.926 2.933 . 0 0 "[ . 1 . 2]" 1
152 1 31 THR H 1 31 THR HB 2.700 . 3.600 2.730 2.617 2.920 . 0 0 "[ . 1 . 2]" 1
153 1 31 THR H 1 31 THR MG 3.900 . 5.800 3.835 3.806 3.844 . 0 0 "[ . 1 . 2]" 1
154 1 31 THR H 1 32 VAL MG2 3.900 . 5.800 5.171 5.069 5.242 . 0 0 "[ . 1 . 2]" 1
155 1 31 THR HA 1 32 VAL H 2.000 . 2.500 2.247 2.187 2.286 . 0 0 "[ . 1 . 2]" 1
156 1 31 THR MG 1 32 VAL H 2.800 . 3.800 2.010 1.901 2.391 . 0 0 "[ . 1 . 2]" 1
157 1 32 VAL H 1 32 VAL MG2 3.300 . 4.600 1.950 1.921 1.983 0.079 11 0 "[ . 1 . 2]" 1
158 1 32 VAL H 1 32 VAL MG1 2.600 . 3.500 3.548 3.470 3.602 0.102 12 0 "[ . 1 . 2]" 1
159 1 32 VAL HA 1 33 SER H 2.100 . 2.600 2.390 2.302 2.473 . 0 0 "[ . 1 . 2]" 1
160 1 32 VAL HB 1 33 SER H 2.500 . 3.300 2.622 2.414 2.873 . 0 0 "[ . 1 . 2]" 1
161 1 32 VAL MG2 1 33 SER H 3.200 . 4.500 4.028 3.907 4.160 . 0 0 "[ . 1 . 2]" 1
162 1 33 SER H 1 33 SER HA 2.900 . 3.900 2.935 2.926 2.943 . 0 0 "[ . 1 . 2]" 1
163 1 33 SER H 1 33 SER HB3 3.300 . 4.700 3.493 2.725 3.906 . 0 0 "[ . 1 . 2]" 1
164 1 33 SER H 1 33 SER HB2 2.900 . 3.900 2.860 2.534 3.891 . 0 0 "[ . 1 . 2]" 1
165 1 33 SER H 1 36 ASP QB 2.900 . 3.900 2.106 1.922 2.405 . 0 0 "[ . 1 . 2]" 1
166 1 33 SER HA 1 34 GLN H 2.100 . 2.600 2.453 2.340 2.591 . 0 0 "[ . 1 . 2]" 1
167 1 33 SER HB3 1 34 GLN H 2.600 . 3.400 2.745 2.189 3.953 0.553 4 1 "[ +. 1 . 2]" 1
168 1 34 GLN H 1 34 GLN HA 2.500 . 3.300 2.785 2.751 2.843 . 0 0 "[ . 1 . 2]" 1
169 1 34 GLN H 1 34 GLN QB 2.400 . 3.100 2.245 2.057 2.575 . 0 0 "[ . 1 . 2]" 1
170 1 34 GLN HE22 1 34 GLN QG 3.200 . 4.500 3.340 3.224 3.456 . 0 0 "[ . 1 . 2]" 1
171 1 34 GLN H 1 55 ASP HA 3.300 . 4.700 4.082 3.643 4.402 . 0 0 "[ . 1 . 2]" 1
172 1 35 PHE H 1 35 PHE HA 2.500 . 3.300 2.926 2.909 2.935 . 0 0 "[ . 1 . 2]" 1
173 1 35 PHE H 1 35 PHE QB 3.300 . 4.600 2.400 2.191 2.919 . 0 0 "[ . 1 . 2]" 1
174 1 35 PHE H 1 37 SER H 4.200 . 6.000 5.918 5.695 6.026 0.026 13 0 "[ . 1 . 2]" 1
175 1 34 GLN HA 1 36 ASP H 3.100 . 4.300 4.294 4.183 4.327 0.027 8 0 "[ . 1 . 2]" 1
176 1 35 PHE HA 1 36 ASP H 3.400 . 4.800 3.434 3.421 3.459 . 0 0 "[ . 1 . 2]" 1
177 1 35 PHE H 1 36 ASP H 2.500 . 3.300 2.172 2.105 2.279 . 0 0 "[ . 1 . 2]" 1
178 1 36 ASP H 1 36 ASP HA 2.600 . 3.400 2.922 2.901 2.940 . 0 0 "[ . 1 . 2]" 1
179 1 36 ASP H 1 36 ASP QB 2.300 . 3.000 2.236 2.162 2.357 . 0 0 "[ . 1 . 2]" 1
180 1 36 ASP H 1 52 SER QB 3.300 . 4.700 4.278 3.804 4.703 0.003 12 0 "[ . 1 . 2]" 1
181 1 36 ASP QB 1 37 SER H 4.000 . 6.000 3.806 3.637 3.985 . 0 0 "[ . 1 . 2]" 1
182 1 37 SER H 1 37 SER QB 3.000 . 4.100 2.668 2.257 2.928 . 0 0 "[ . 1 . 2]" 1
183 1 37 SER HA 1 38 ILE H 2.400 . 3.100 2.371 2.287 2.398 . 0 0 "[ . 1 . 2]" 1
184 1 38 ILE H 1 38 ILE HB 2.700 . 3.600 2.542 2.466 2.645 . 0 0 "[ . 1 . 2]" 1
185 1 38 ILE H 1 51 THR HA 3.200 . 4.400 3.562 3.141 3.860 . 0 0 "[ . 1 . 2]" 1
186 1 37 SER HA 1 39 CYS H 4.100 . 6.000 5.123 4.863 5.356 . 0 0 "[ . 1 . 2]" 1
187 1 38 ILE HA 1 39 CYS H 3.100 . 4.300 3.556 3.536 3.569 . 0 0 "[ . 1 . 2]" 1
188 1 38 ILE HB 1 39 CYS H 2.000 . 2.500 1.955 1.911 2.058 . 0 0 "[ . 1 . 2]" 1
189 1 38 ILE MG 1 39 CYS H 3.000 . 4.200 2.781 2.319 3.144 . 0 0 "[ . 1 . 2]" 1
190 1 38 ILE H 1 39 CYS H 2.300 . 3.000 2.854 2.645 3.004 0.004 3 0 "[ . 1 . 2]" 1
191 1 39 CYS H 1 39 CYS HA 2.500 . 3.300 2.934 2.916 2.946 . 0 0 "[ . 1 . 2]" 1
192 1 39 CYS H 1 39 CYS QB 3.200 . 4.500 2.890 2.435 3.274 . 0 0 "[ . 1 . 2]" 1
193 1 39 CYS H 1 50 ILE HB 2.300 . 3.000 2.344 2.081 2.607 . 0 0 "[ . 1 . 2]" 1
194 1 39 CYS H 1 50 ILE QG 3.700 . 5.400 3.783 3.419 4.324 . 0 0 "[ . 1 . 2]" 1
195 1 39 CYS H 1 50 ILE MG 3.700 . 5.400 3.177 2.868 3.376 . 0 0 "[ . 1 . 2]" 1
196 1 39 CYS H 1 50 ILE H 3.300 . 4.600 4.159 3.849 4.513 . 0 0 "[ . 1 . 2]" 1
197 1 39 CYS H 1 51 THR HA 4.000 . 6.000 5.657 5.246 5.990 . 0 0 "[ . 1 . 2]" 1
198 1 23 GLU QB 1 40 GLU H 3.700 . 5.400 3.621 2.835 4.024 . 0 0 "[ . 1 . 2]" 1
199 1 39 CYS QB 1 40 GLU H 2.800 . 3.800 3.015 2.532 3.633 . 0 0 "[ . 1 . 2]" 1
200 1 40 GLU H 1 40 GLU HA 3.000 . 4.100 2.932 2.922 2.948 . 0 0 "[ . 1 . 2]" 1
201 1 40 GLU H 1 40 GLU QB 3.200 . 3.500 2.709 2.436 2.945 . 0 0 "[ . 1 . 2]" 1
202 1 40 GLU HA 1 41 VAL H 2.000 . 2.500 2.156 2.126 2.185 . 0 0 "[ . 1 . 2]" 1
203 1 40 GLU QB 1 41 VAL H 3.300 . 4.700 3.360 3.179 3.767 . 0 0 "[ . 1 . 2]" 1
204 1 41 VAL H 1 41 VAL MG2 2.700 . 3.600 2.198 2.041 2.353 . 0 0 "[ . 1 . 2]" 1
205 1 41 VAL H 1 41 VAL MG1 2.800 . 3.800 2.808 2.690 2.947 . 0 0 "[ . 1 . 2]" 1
206 1 41 VAL H 1 48 VAL HB 3.200 . 4.500 3.616 2.695 4.502 0.002 3 0 "[ . 1 . 2]" 1
207 1 41 VAL H 1 48 VAL MG1 4.100 . 6.000 4.498 3.679 5.340 . 0 0 "[ . 1 . 2]" 1
208 1 41 VAL H 1 49 THR HA 3.500 . 5.000 3.284 2.760 3.561 . 0 0 "[ . 1 . 2]" 1
209 1 21 VAL HA 1 42 GLN H 4.600 . 6.000 4.280 4.147 4.520 . 0 0 "[ . 1 . 2]" 1
210 1 22 LYS H 1 42 GLN H 3.600 . 5.200 3.741 3.405 4.030 . 0 0 "[ . 1 . 2]" 1
211 1 41 VAL HA 1 42 GLN H 2.200 . 2.800 2.252 2.204 2.345 . 0 0 "[ . 1 . 2]" 1
212 1 41 VAL HB 1 42 GLN H 2.800 . 3.800 2.792 2.583 2.926 . 0 0 "[ . 1 . 2]" 1
213 1 41 VAL MG1 1 42 GLN H 3.800 . 5.600 3.868 3.772 3.985 . 0 0 "[ . 1 . 2]" 1
214 1 42 GLN H 1 42 GLN QB 2.700 . 3.600 2.604 2.442 2.713 . 0 0 "[ . 1 . 2]" 1
215 1 42 GLN QB 1 42 GLN HE22 4.000 . 6.000 4.084 3.867 4.165 . 0 0 "[ . 1 . 2]" 1
216 1 42 GLN H 1 43 SER QB 3.700 . 5.400 4.971 4.571 5.391 . 0 0 "[ . 1 . 2]" 1
217 1 42 GLN HA 1 43 SER H 2.300 . 3.000 2.146 2.125 2.176 . 0 0 "[ . 1 . 2]" 1
218 1 43 SER H 1 43 SER QB 3.300 . 4.700 2.540 2.367 3.033 . 0 0 "[ . 1 . 2]" 1
219 1 43 SER H 1 47 SER HA 3.600 . 5.200 2.544 2.306 3.014 . 0 0 "[ . 1 . 2]" 1
220 1 45 LYS HA 1 46 ALA H 3.800 . 5.600 3.564 3.547 3.582 . 0 0 "[ . 1 . 2]" 1
221 1 45 LYS QB 1 46 ALA H 3.800 . 5.600 2.588 2.012 3.378 . 0 0 "[ . 1 . 2]" 1
222 1 46 ALA HA 1 47 SER H 3.300 . 4.700 2.336 2.185 2.403 . 0 0 "[ . 1 . 2]" 1
223 1 47 SER H 1 47 SER QB 3.900 . 5.800 2.728 2.256 3.142 . 0 0 "[ . 1 . 2]" 1
224 1 41 VAL MG2 1 48 VAL H 2.700 . 3.600 2.988 2.504 3.446 . 0 0 "[ . 1 . 2]" 1
225 1 41 VAL MG1 1 48 VAL H 4.000 . 6.000 5.386 5.089 5.665 . 0 0 "[ . 1 . 2]" 1
226 1 41 VAL H 1 48 VAL H 3.800 . 5.600 3.969 3.666 4.336 . 0 0 "[ . 1 . 2]" 1
227 1 42 GLN HA 1 48 VAL H 3.600 . 5.200 2.764 2.422 3.321 . 0 0 "[ . 1 . 2]" 1
228 1 47 SER HA 1 48 VAL H 2.200 . 2.800 2.184 2.144 2.247 . 0 0 "[ . 1 . 2]" 1
229 1 48 VAL H 1 48 VAL HB 2.900 . 4.000 2.937 2.694 3.764 . 0 0 "[ . 1 . 2]" 1
230 1 48 VAL H 1 48 VAL MG2 3.000 . 4.200 2.464 2.134 2.801 . 0 0 "[ . 1 . 2]" 1
231 1 48 VAL HA 1 49 THR H 2.400 . 3.100 2.171 2.123 2.261 . 0 0 "[ . 1 . 2]" 1
232 1 48 VAL MG1 1 49 THR H 2.800 . 3.800 2.452 2.016 3.624 . 0 0 "[ . 1 . 2]" 1
233 1 49 THR H 1 49 THR HB 3.200 . 4.500 3.819 3.723 3.917 . 0 0 "[ . 1 . 2]" 1
234 1 40 GLU HA 1 50 ILE H 3.400 . 4.800 2.645 2.406 2.818 . 0 0 "[ . 1 . 2]" 1
235 1 49 THR HA 1 50 ILE H 2.400 . 3.100 2.179 2.160 2.193 . 0 0 "[ . 1 . 2]" 1
236 1 49 THR H 1 50 ILE H 4.500 . 6.000 4.336 4.181 4.480 . 0 0 "[ . 1 . 2]" 1
237 1 50 ILE H 1 50 ILE HB 2.700 . 3.600 2.603 2.545 2.688 . 0 0 "[ . 1 . 2]" 1
238 1 50 ILE H 1 50 ILE MD 4.400 . 6.000 3.229 2.041 3.571 . 0 0 "[ . 1 . 2]" 1
239 1 50 ILE H 1 50 ILE QG 3.100 . 4.300 2.459 2.172 3.255 . 0 0 "[ . 1 . 2]" 1
240 1 50 ILE H 1 50 ILE MG 4.100 . 6.000 3.825 3.812 3.839 . 0 0 "[ . 1 . 2]" 1
241 1 50 ILE HA 1 51 THR H 2.400 . 3.100 2.138 2.126 2.151 . 0 0 "[ . 1 . 2]" 1
242 1 51 THR H 1 51 THR MG 3.500 . 5.000 3.001 1.979 3.761 0.021 16 0 "[ . 1 . 2]" 1
243 1 34 GLN QB 1 52 SER H 4.100 . 6.000 5.563 4.896 6.013 0.013 2 0 "[ . 1 . 2]" 1
244 1 34 GLN QG 1 52 SER H 4.000 . 6.000 5.269 4.390 6.022 0.022 16 0 "[ . 1 . 2]" 1
245 1 38 ILE QG 1 52 SER H 3.600 . 5.200 4.891 4.369 5.212 0.012 5 0 "[ . 1 . 2]" 1
246 1 51 THR HA 1 52 SER H 2.100 . 2.700 2.583 2.275 2.640 . 0 0 "[ . 1 . 2]" 1
247 1 51 THR HB 1 52 SER H 2.500 . 3.300 2.307 1.969 3.417 0.117 16 0 "[ . 1 . 2]" 1
248 1 52 SER H 1 52 SER HA 2.500 . 3.300 2.932 2.839 2.953 . 0 0 "[ . 1 . 2]" 1
249 1 52 SER H 1 52 SER QB 2.400 . 3.100 2.518 2.355 2.869 . 0 0 "[ . 1 . 2]" 1
250 1 52 SER QB 1 53 ARG H 2.700 . 3.600 2.442 1.907 3.026 . 0 0 "[ . 1 . 2]" 1
251 1 53 ARG H 1 53 ARG QB 3.500 . 5.100 3.121 2.981 3.479 . 0 0 "[ . 1 . 2]" 1
252 1 53 ARG H 1 54 TYR H 2.900 . 3.900 2.648 2.575 2.905 . 0 0 "[ . 1 . 2]" 1
253 1 52 SER QB 1 54 TYR H 3.200 . 4.500 2.267 1.976 2.535 . 0 0 "[ . 1 . 2]" 1
254 1 53 ARG HA 1 54 TYR H 3.300 . 4.700 3.185 3.095 3.350 . 0 0 "[ . 1 . 2]" 1
255 1 53 ARG QD 1 54 TYR H 3.400 . 4.800 4.587 4.181 4.855 0.055 5 0 "[ . 1 . 2]" 1
256 1 54 TYR H 1 54 TYR HA 2.600 . 3.500 2.794 2.776 2.842 . 0 0 "[ . 1 . 2]" 1
257 1 54 TYR H 1 54 TYR HB3 3.500 . 5.000 3.724 3.312 3.887 . 0 0 "[ . 1 . 2]" 1
258 1 54 TYR H 1 54 TYR HB2 2.800 . 3.800 3.065 2.936 3.336 . 0 0 "[ . 1 . 2]" 1
259 1 54 TYR HA 1 55 ASP H 2.100 . 2.700 2.536 2.471 2.566 . 0 0 "[ . 1 . 2]" 1
260 1 54 TYR HB3 1 55 ASP H 2.700 . 3.600 2.505 2.284 3.119 . 0 0 "[ . 1 . 2]" 1
261 1 54 TYR HB2 1 55 ASP H 3.900 . 5.800 3.864 3.693 3.975 . 0 0 "[ . 1 . 2]" 1
262 1 55 ASP H 1 55 ASP HA 2.900 . 3.900 2.925 2.914 2.931 . 0 0 "[ . 1 . 2]" 1
263 1 55 ASP H 1 55 ASP QB 3.000 . 4.100 2.719 2.311 3.058 . 0 0 "[ . 1 . 2]" 1
264 1 31 THR MG 1 56 GLY H 3.400 . 4.900 2.956 2.746 3.222 . 0 0 "[ . 1 . 2]" 1
265 1 32 VAL HA 1 56 GLY H 3.600 . 5.300 4.393 4.299 4.473 . 0 0 "[ . 1 . 2]" 1
266 1 32 VAL MG2 1 56 GLY H 3.200 . 4.500 2.096 1.929 2.473 . 0 0 "[ . 1 . 2]" 1
267 1 32 VAL H 1 56 GLY H 2.500 . 3.300 2.693 2.534 2.812 . 0 0 "[ . 1 . 2]" 1
268 1 33 SER HA 1 56 GLY H 4.000 . 6.000 3.927 3.695 4.191 . 0 0 "[ . 1 . 2]" 1
269 1 55 ASP HA 1 56 GLY H 2.000 . 2.500 2.134 2.114 2.154 . 0 0 "[ . 1 . 2]" 1
270 1 55 ASP QB 1 56 GLY H 3.900 . 5.600 3.327 3.194 3.796 . 0 0 "[ . 1 . 2]" 1
271 1 56 GLY H 1 78 ILE MG 3.900 . 5.800 4.041 3.840 4.187 . 0 0 "[ . 1 . 2]" 1
272 1 56 GLY QA 1 57 VAL H 2.500 . 3.300 2.247 2.230 2.270 . 0 0 "[ . 1 . 2]" 1
273 1 57 VAL H 1 57 VAL HA 2.700 . 3.600 2.939 2.931 2.948 . 0 0 "[ . 1 . 2]" 1
274 1 57 VAL H 1 57 VAL MG2 4.400 . 6.000 2.434 2.106 2.739 . 0 0 "[ . 1 . 2]" 1
275 1 57 VAL H 1 57 VAL MG1 2.900 . 4.000 3.835 3.797 3.869 . 0 0 "[ . 1 . 2]" 1
276 1 57 VAL H 1 58 ILE MD 4.300 . 6.000 5.989 5.796 6.060 0.060 20 0 "[ . 1 . 2]" 1
277 1 57 VAL H 1 78 ILE MG 3.100 . 4.300 2.940 2.652 3.280 . 0 0 "[ . 1 . 2]" 1
278 1 57 VAL H 1 79 GLU QB 3.300 . 4.600 2.339 2.076 2.636 . 0 0 "[ . 1 . 2]" 1
279 1 57 VAL H 1 79 GLU H 2.700 . 3.600 2.333 2.263 2.400 . 0 0 "[ . 1 . 2]" 1
280 1 57 VAL H 1 80 THR HA 3.600 . 5.200 4.713 4.623 4.811 . 0 0 "[ . 1 . 2]" 1
281 1 30 ASP H 1 58 ILE H 3.500 . 5.000 4.015 3.916 4.103 . 0 0 "[ . 1 . 2]" 1
282 1 31 THR HA 1 58 ILE H 2.900 . 4.000 2.491 2.367 2.547 . 0 0 "[ . 1 . 2]" 1
283 1 57 VAL HA 1 58 ILE H 1.900 . 2.400 2.136 2.126 2.149 . 0 0 "[ . 1 . 2]" 1
284 1 57 VAL MG1 1 58 ILE H 3.900 . 5.800 2.693 2.486 2.885 . 0 0 "[ . 1 . 2]" 1
285 1 58 ILE H 1 58 ILE HA 2.700 . 3.600 2.937 2.935 2.940 . 0 0 "[ . 1 . 2]" 1
286 1 58 ILE H 1 58 ILE HB 2.200 . 2.800 2.671 2.611 2.756 . 0 0 "[ . 1 . 2]" 1
287 1 58 ILE H 1 58 ILE MD 3.100 . 4.300 3.626 3.379 3.919 . 0 0 "[ . 1 . 2]" 1
288 1 58 ILE H 1 58 ILE QG 2.400 . 3.100 2.236 2.132 2.371 . 0 0 "[ . 1 . 2]" 1
289 1 58 ILE H 1 58 ILE MG 3.700 . 5.400 3.841 3.831 3.848 . 0 0 "[ . 1 . 2]" 1
290 1 58 ILE HA 1 59 LYS H 1.900 . 2.400 2.151 2.137 2.168 . 0 0 "[ . 1 . 2]" 1
291 1 59 LYS H 1 59 LYS HA 2.800 . 3.800 2.922 2.914 2.935 . 0 0 "[ . 1 . 2]" 1
292 1 59 LYS H 1 59 LYS QB 3.000 . 3.300 2.345 2.139 3.016 . 0 0 "[ . 1 . 2]" 1
293 1 59 LYS H 1 59 LYS QD 3.800 . 5.700 4.460 3.840 4.920 . 0 0 "[ . 1 . 2]" 1
294 1 59 LYS H 1 60 LYS H 2.200 . 2.800 2.378 2.279 2.422 . 0 0 "[ . 1 . 2]" 1
295 1 59 LYS H 1 76 VAL MG1 5.000 . 6.000 5.965 5.708 6.074 0.074 9 0 "[ . 1 . 2]" 1
296 1 59 LYS H 1 76 VAL MG2 4.000 . 6.000 3.735 3.353 4.034 . 0 0 "[ . 1 . 2]" 1
297 1 59 LYS H 1 77 ASP HB3 4.400 . 6.000 5.144 4.845 5.378 . 0 0 "[ . 1 . 2]" 1
298 1 59 LYS H 1 77 ASP HB2 3.300 . 4.700 3.708 3.511 3.889 . 0 0 "[ . 1 . 2]" 1
299 1 59 LYS H 1 77 ASP H 3.500 . 5.000 4.061 3.851 4.286 . 0 0 "[ . 1 . 2]" 1
300 1 59 LYS H 1 78 ILE HA 3.000 . 4.100 3.565 3.448 3.672 . 0 0 "[ . 1 . 2]" 1
301 1 59 LYS H 1 78 ILE MD 3.600 . 5.300 5.340 5.269 5.385 0.085 17 0 "[ . 1 . 2]" 1
302 1 59 LYS H 1 78 ILE QG 3.500 . 5.000 4.075 3.970 4.311 . 0 0 "[ . 1 . 2]" 1
303 1 59 LYS H 1 78 ILE MG 4.600 . 6.000 4.252 4.129 4.443 . 0 0 "[ . 1 . 2]" 1
304 1 58 ILE HA 1 60 LYS H 4.000 . 6.000 4.088 3.834 4.223 . 0 0 "[ . 1 . 2]" 1
305 1 58 ILE MG 1 60 LYS H 2.700 . 3.600 2.866 2.518 3.139 . 0 0 "[ . 1 . 2]" 1
306 1 59 LYS HA 1 60 LYS H 3.400 . 4.800 3.566 3.511 3.593 . 0 0 "[ . 1 . 2]" 1
307 1 59 LYS QB 1 60 LYS H 3.000 . 4.100 2.782 2.560 3.118 . 0 0 "[ . 1 . 2]" 1
308 1 60 LYS H 1 60 LYS HA 2.500 . 3.300 2.908 2.854 2.942 . 0 0 "[ . 1 . 2]" 1
309 1 60 LYS H 1 60 LYS HB2 3.300 . 4.600 3.852 3.156 4.058 . 0 0 "[ . 1 . 2]" 1
310 1 60 LYS H 1 60 LYS HB3 3.500 . 5.000 3.317 3.005 3.940 . 0 0 "[ . 1 . 2]" 1
311 1 60 LYS H 1 77 ASP HB3 4.400 . 6.000 5.587 5.207 5.830 . 0 0 "[ . 1 . 2]" 1
312 1 60 LYS H 1 77 ASP HB2 3.000 . 4.100 3.902 3.487 4.152 0.052 12 0 "[ . 1 . 2]" 1
313 1 60 LYS HA 1 61 LEU H 1.800 . 2.200 2.182 2.130 2.249 0.049 7 0 "[ . 1 . 2]" 1
314 1 60 LYS HB2 1 61 LEU H 4.300 . 6.000 2.996 2.653 3.791 . 0 0 "[ . 1 . 2]" 1
315 1 60 LYS QG 1 61 LEU H 3.400 . 4.900 3.762 3.096 4.582 . 0 0 "[ . 1 . 2]" 1
316 1 61 LEU H 1 61 LEU HA 2.900 . 3.900 2.930 2.917 2.942 . 0 0 "[ . 1 . 2]" 1
317 1 61 LEU H 1 61 LEU HB3 3.400 . 4.900 3.772 3.622 3.865 . 0 0 "[ . 1 . 2]" 1
318 1 61 LEU H 1 61 LEU HB2 2.300 . 3.000 2.675 2.483 2.816 . 0 0 "[ . 1 . 2]" 1
319 1 61 LEU H 1 61 LEU MD1 3.600 . 5.200 3.731 2.736 4.471 . 0 0 "[ . 1 . 2]" 1
320 1 61 LEU H 1 61 LEU HG 2.700 . 3.600 3.508 3.227 3.633 0.033 7 0 "[ . 1 . 2]" 1
321 1 61 LEU HA 1 62 TYR H 2.200 . 2.800 2.200 2.154 2.279 . 0 0 "[ . 1 . 2]" 1
322 1 61 LEU HB3 1 62 TYR H 3.600 . 5.200 3.395 2.914 3.916 . 0 0 "[ . 1 . 2]" 1
323 1 61 LEU HB2 1 62 TYR H 3.800 . 5.600 4.291 4.037 4.554 . 0 0 "[ . 1 . 2]" 1
324 1 62 TYR H 1 62 TYR HA 3.000 . 4.100 2.916 2.822 2.948 . 0 0 "[ . 1 . 2]" 1
325 1 62 TYR H 1 62 TYR HB3 3.400 . 4.800 2.803 2.499 3.170 . 0 0 "[ . 1 . 2]" 1
326 1 62 TYR H 1 62 TYR HB2 2.400 . 3.100 2.581 2.123 2.880 . 0 0 "[ . 1 . 2]" 1
327 1 62 TYR H 1 76 VAL HA 3.500 . 5.000 4.494 3.721 4.989 . 0 0 "[ . 1 . 2]" 1
328 1 61 LEU HB3 1 63 TYR H 3.100 . 4.300 4.123 3.832 4.319 0.019 16 0 "[ . 1 . 2]" 1
329 1 62 TYR H 1 63 TYR H 3.000 . 4.100 2.316 2.065 2.755 . 0 0 "[ . 1 . 2]" 1
330 1 63 TYR H 1 63 TYR HA 3.000 . 4.200 2.909 2.883 2.941 . 0 0 "[ . 1 . 2]" 1
331 1 63 TYR H 1 63 TYR HB2 2.900 . 3.900 2.514 2.413 2.802 . 0 0 "[ . 1 . 2]" 1
332 1 63 TYR HA 1 64 ASN H 2.300 . 2.900 2.178 2.150 2.279 . 0 0 "[ . 1 . 2]" 1
333 1 63 TYR HB3 1 64 ASN H 3.300 . 4.600 3.046 2.718 3.218 . 0 0 "[ . 1 . 2]" 1
334 1 64 ASN H 1 64 ASN HB2 2.600 . 3.500 2.600 2.483 2.701 . 0 0 "[ . 1 . 2]" 1
335 1 64 ASN HA 1 65 LEU H 2.300 . 3.000 2.635 2.590 2.719 . 0 0 "[ . 1 . 2]" 1
336 1 64 ASN HB3 1 65 LEU H 2.200 . 2.800 1.874 1.843 1.901 . 0 0 "[ . 1 . 2]" 1
337 1 64 ASN HB2 1 65 LEU H 2.900 . 3.900 3.027 2.783 3.198 . 0 0 "[ . 1 . 2]" 1
338 1 65 LEU H 1 65 LEU HA 2.600 . 3.500 2.750 2.734 2.784 . 0 0 "[ . 1 . 2]" 1
339 1 65 LEU H 1 65 LEU HB3 3.200 . 4.500 3.492 3.433 3.528 . 0 0 "[ . 1 . 2]" 1
340 1 65 LEU H 1 65 LEU HB2 2.200 . 2.800 2.277 2.125 2.424 . 0 0 "[ . 1 . 2]" 1
341 1 65 LEU H 1 65 LEU MD1 3.200 . 4.500 2.538 2.042 3.313 . 0 0 "[ . 1 . 2]" 1
342 1 65 LEU H 1 65 LEU MD2 4.000 . 6.000 4.051 3.943 4.108 . 0 0 "[ . 1 . 2]" 1
343 1 65 LEU H 1 65 LEU HG 2.200 . 2.800 2.832 2.682 2.864 0.064 19 0 "[ . 1 . 2]" 1
344 1 65 LEU HB3 1 66 ASP H 3.600 . 5.300 3.785 3.599 3.896 . 0 0 "[ . 1 . 2]" 1
345 1 66 ASP H 1 66 ASP HA 2.300 . 3.000 2.935 2.925 2.943 . 0 0 "[ . 1 . 2]" 1
346 1 66 ASP H 1 67 ASP H 2.800 . 3.700 2.155 2.076 2.235 . 0 0 "[ . 1 . 2]" 1
347 1 20 THR HB 1 67 ASP H 4.100 . 6.000 5.959 5.895 6.052 0.052 9 0 "[ . 1 . 2]" 1
348 1 66 ASP HA 1 67 ASP H 3.300 . 4.700 3.481 3.466 3.496 . 0 0 "[ . 1 . 2]" 1
349 1 67 ASP H 1 67 ASP HA 2.800 . 3.800 2.863 2.840 2.874 . 0 0 "[ . 1 . 2]" 1
350 1 67 ASP H 1 67 ASP HB3 3.600 . 5.200 3.474 3.050 3.629 . 0 0 "[ . 1 . 2]" 1
351 1 67 ASP H 1 67 ASP HB2 2.300 . 3.000 2.491 2.131 2.739 . 0 0 "[ . 1 . 2]" 1
352 1 67 ASP HA 1 68 ILE H 2.100 . 2.600 2.250 2.197 2.298 . 0 0 "[ . 1 . 2]" 1
353 1 67 ASP HB3 1 68 ILE H 2.400 . 3.100 2.826 2.621 3.168 0.068 14 0 "[ . 1 . 2]" 1
354 1 67 ASP HB2 1 68 ILE H 3.800 . 5.600 3.809 3.535 4.198 . 0 0 "[ . 1 . 2]" 1
355 1 68 ILE H 1 68 ILE HA 2.700 . 3.600 2.946 2.930 2.956 . 0 0 "[ . 1 . 2]" 1
356 1 68 ILE H 1 68 ILE HB 2.300 . 2.900 2.842 2.546 2.949 0.049 17 0 "[ . 1 . 2]" 1
357 1 68 ILE H 1 68 ILE MD 3.700 . 5.400 3.350 2.845 4.258 . 0 0 "[ . 1 . 2]" 1
358 1 68 ILE H 1 68 ILE QG 2.600 . 3.500 2.160 1.950 2.697 . 0 0 "[ . 1 . 2]" 1
359 1 68 ILE H 1 68 ILE MG 3.900 . 5.800 3.847 3.806 3.870 . 0 0 "[ . 1 . 2]" 1
360 1 20 THR HA 1 69 ALA H 3.200 . 4.500 3.309 2.718 3.666 . 0 0 "[ . 1 . 2]" 1
361 1 68 ILE HA 1 69 ALA H 1.900 . 2.400 2.175 2.139 2.210 . 0 0 "[ . 1 . 2]" 1
362 1 68 ILE HB 1 69 ALA H 4.100 . 6.000 3.686 3.536 3.965 . 0 0 "[ . 1 . 2]" 1
363 1 68 ILE MD 1 69 ALA H 3.000 . 4.100 4.043 3.624 4.212 0.112 15 0 "[ . 1 . 2]" 1
364 1 69 ALA H 1 69 ALA HA 2.900 . 4.000 2.936 2.922 2.944 . 0 0 "[ . 1 . 2]" 1
365 1 69 ALA HA 1 70 TYR H 2.600 . 3.400 2.261 2.201 2.319 . 0 0 "[ . 1 . 2]" 1
366 1 70 TYR H 1 70 TYR HB3 2.800 . 3.800 3.477 2.394 3.840 0.040 2 0 "[ . 1 . 2]" 1
367 1 70 TYR HA 1 71 VAL H 2.300 . 2.900 2.241 2.173 2.282 . 0 0 "[ . 1 . 2]" 1
368 1 70 TYR HB2 1 71 VAL H 3.500 . 5.100 3.489 2.935 4.171 . 0 0 "[ . 1 . 2]" 1
369 1 71 VAL H 1 71 VAL HA 3.000 . 4.100 2.857 2.767 2.899 . 0 0 "[ . 1 . 2]" 1
370 1 71 VAL H 1 71 VAL HB 2.500 . 3.300 2.675 2.386 2.844 . 0 0 "[ . 1 . 2]" 1
371 1 71 VAL H 1 71 VAL MG1 2.900 . 3.900 3.347 1.971 3.797 . 0 0 "[ . 1 . 2]" 1
372 1 71 VAL HA 1 72 GLY H 2.300 . 3.000 2.191 2.162 2.221 . 0 0 "[ . 1 . 2]" 1
373 1 71 VAL MG2 1 72 GLY H 3.300 . 4.600 3.632 2.005 4.234 . 0 0 "[ . 1 . 2]" 1
374 1 8 LYS QG 1 73 LYS H 3.100 . 4.300 3.569 2.433 4.310 0.010 2 0 "[ . 1 . 2]" 1
375 1 71 VAL HA 1 73 LYS H 3.500 . 5.100 3.409 3.335 3.500 . 0 0 "[ . 1 . 2]" 1
376 1 72 GLY QA 1 73 LYS H 3.400 . 4.800 2.923 2.875 2.947 . 0 0 "[ . 1 . 2]" 1
377 1 72 GLY H 1 73 LYS H 2.700 . 3.600 2.213 2.021 2.739 . 0 0 "[ . 1 . 2]" 1
378 1 73 LYS H 1 73 LYS HA 2.700 . 3.600 2.901 2.876 2.945 . 0 0 "[ . 1 . 2]" 1
379 1 73 LYS H 1 73 LYS QB 2.600 . 3.500 2.772 2.333 3.274 . 0 0 "[ . 1 . 2]" 1
380 1 8 LYS HA 1 75 LEU H 2.600 . 3.500 2.664 2.397 2.873 . 0 0 "[ . 1 . 2]" 1
381 1 74 PRO HA 1 75 LEU H 2.000 . 2.500 2.293 2.189 2.389 . 0 0 "[ . 1 . 2]" 1
382 1 75 LEU H 1 75 LEU QB 2.800 . 3.800 2.782 2.368 3.107 . 0 0 "[ . 1 . 2]" 1
383 1 75 LEU H 1 76 VAL H 2.100 . 2.700 2.031 1.920 2.250 . 0 0 "[ . 1 . 2]" 1
384 1 7 PHE QB 1 76 VAL H 3.400 . 4.800 3.587 3.148 3.923 . 0 0 "[ . 1 . 2]" 1
385 1 8 LYS HA 1 76 VAL H 4.800 . 6.000 4.292 4.010 4.503 . 0 0 "[ . 1 . 2]" 1
386 1 74 PRO HA 1 76 VAL H 4.000 . 6.000 4.095 3.788 4.482 . 0 0 "[ . 1 . 2]" 1
387 1 75 LEU HA 1 76 VAL H 3.500 . 5.000 3.515 3.412 3.579 . 0 0 "[ . 1 . 2]" 1
388 1 75 LEU QB 1 76 VAL H 3.000 . 4.200 3.259 2.292 3.747 . 0 0 "[ . 1 . 2]" 1
389 1 75 LEU MD2 1 76 VAL H 3.800 . 5.600 3.309 1.846 4.741 0.154 13 0 "[ . 1 . 2]" 1
390 1 76 VAL H 1 76 VAL HA 2.800 . 3.800 2.940 2.929 2.950 . 0 0 "[ . 1 . 2]" 1
391 1 76 VAL H 1 76 VAL MG1 2.600 . 3.400 2.214 2.031 2.461 . 0 0 "[ . 1 . 2]" 1
392 1 76 VAL H 1 76 VAL MG2 3.800 . 5.600 3.943 3.880 3.989 . 0 0 "[ . 1 . 2]" 1
393 1 58 ILE HA 1 77 ASP H 4.400 . 6.000 4.904 4.616 5.176 . 0 0 "[ . 1 . 2]" 1
394 1 60 LYS H 1 77 ASP H 2.700 . 3.600 3.282 3.080 3.472 . 0 0 "[ . 1 . 2]" 1
395 1 76 VAL HA 1 77 ASP H 2.200 . 2.800 2.255 2.194 2.364 . 0 0 "[ . 1 . 2]" 1
396 1 76 VAL MG2 1 77 ASP H 2.600 . 3.400 1.932 1.819 2.202 . 0 0 "[ . 1 . 2]" 1
397 1 77 ASP H 1 77 ASP HA 3.000 . 4.100 2.943 2.935 2.948 . 0 0 "[ . 1 . 2]" 1
398 1 77 ASP H 1 77 ASP HB3 3.400 . 4.900 3.765 3.701 3.843 . 0 0 "[ . 1 . 2]" 1
399 1 77 ASP H 1 77 ASP HB2 2.200 . 2.800 2.802 2.530 2.902 0.102 2 0 "[ . 1 . 2]" 1
400 1 5 VAL MG1 1 78 ILE H 4.200 . 6.000 5.137 5.029 5.286 . 0 0 "[ . 1 . 2]" 1
401 1 5 VAL MG2 1 78 ILE H 3.500 . 5.000 3.237 2.880 3.453 . 0 0 "[ . 1 . 2]" 1
402 1 6 GLN HA 1 78 ILE H 3.100 . 4.300 2.889 2.443 3.213 . 0 0 "[ . 1 . 2]" 1
403 1 77 ASP HA 1 78 ILE H 2.100 . 2.700 2.154 2.122 2.177 . 0 0 "[ . 1 . 2]" 1
404 1 77 ASP HB3 1 78 ILE H 3.700 . 5.400 3.387 3.176 3.530 . 0 0 "[ . 1 . 2]" 1
405 1 77 ASP HB2 1 78 ILE H 4.300 . 6.000 4.029 3.901 4.208 . 0 0 "[ . 1 . 2]" 1
406 1 78 ILE H 1 78 ILE HA 2.700 . 3.600 2.939 2.931 2.954 . 0 0 "[ . 1 . 2]" 1
407 1 78 ILE H 1 78 ILE HB 2.900 . 4.000 3.029 2.924 3.103 . 0 0 "[ . 1 . 2]" 1
408 1 78 ILE H 1 78 ILE QG 3.200 . 4.400 2.998 2.902 3.075 . 0 0 "[ . 1 . 2]" 1
409 1 56 GLY H 1 79 GLU H 4.200 . 6.000 6.016 5.968 6.051 0.051 14 0 "[ . 1 . 2]" 1
410 1 57 VAL HB 1 79 GLU H 3.200 . 4.500 3.256 3.153 3.382 . 0 0 "[ . 1 . 2]" 1
411 1 58 ILE HA 1 79 GLU H 4.000 . 6.000 3.931 3.769 4.041 . 0 0 "[ . 1 . 2]" 1
412 1 78 ILE HA 1 79 GLU H 2.000 . 2.500 2.289 2.249 2.319 . 0 0 "[ . 1 . 2]" 1
413 1 78 ILE HB 1 79 GLU H 3.700 . 5.400 3.547 3.457 3.630 . 0 0 "[ . 1 . 2]" 1
414 1 78 ILE HG13 1 79 GLU H 3.800 . 5.600 4.724 4.644 4.846 . 0 0 "[ . 1 . 2]" 1
415 1 78 ILE MG 1 79 GLU H 2.700 . 3.600 2.275 2.117 2.497 . 0 0 "[ . 1 . 2]" 1
416 1 79 GLU H 1 79 GLU QB 2.700 . 3.600 2.300 2.209 2.788 . 0 0 "[ . 1 . 2]" 1
417 1 4 VAL HA 1 80 THR H 3.900 . 5.800 3.748 3.433 4.183 . 0 0 "[ . 1 . 2]" 1
418 1 79 GLU HA 1 80 THR H 2.200 . 2.800 2.129 2.105 2.155 . 0 0 "[ . 1 . 2]" 1
419 1 79 GLU HG2 1 80 THR H 4.100 . 6.000 4.019 3.510 4.944 . 0 0 "[ . 1 . 2]" 1
420 1 79 GLU H 1 80 THR H 4.100 . 6.000 4.306 4.279 4.338 . 0 0 "[ . 1 . 2]" 1
421 1 80 THR H 1 80 THR HA 3.000 . 4.100 2.925 2.913 2.938 . 0 0 "[ . 1 . 2]" 1
422 1 80 THR H 1 80 THR HB 3.700 . 5.400 3.674 3.348 3.823 . 0 0 "[ . 1 . 2]" 1
423 1 80 THR H 1 80 THR MG 2.900 . 3.900 3.564 3.321 3.894 . 0 0 "[ . 1 . 2]" 1
424 1 80 THR HA 1 81 GLU H 3.900 . 5.800 2.356 2.329 2.394 . 0 0 "[ . 1 . 2]" 1
425 1 4 VAL MG1 1 5 VAL MG2 3.400 . 4.800 4.754 4.468 4.855 0.055 4 0 "[ . 1 . 2]" 1
426 1 4 VAL HB 1 5 VAL MG2 3.800 . 5.600 4.148 4.077 4.293 . 0 0 "[ . 1 . 2]" 1
427 1 5 VAL HB 1 5 VAL MG2 2.400 . 3.100 2.129 2.117 2.138 . 0 0 "[ . 1 . 2]" 1
428 1 5 VAL HB 1 5 VAL MG1 2.400 . 3.100 2.103 2.086 2.129 . 0 0 "[ . 1 . 2]" 1
429 1 5 VAL HA 1 5 VAL MG1 2.600 . 3.500 2.335 2.153 2.470 . 0 0 "[ . 1 . 2]" 1
430 1 5 VAL HA 1 5 VAL MG2 2.800 . 3.800 3.211 3.202 3.218 . 0 0 "[ . 1 . 2]" 1
431 1 9 LEU QB 1 9 LEU MD1 2.900 . 4.000 2.204 2.135 2.391 . 0 0 "[ . 1 . 2]" 1
432 1 9 LEU QB 1 9 LEU MD2 2.400 . 3.100 2.336 2.157 2.426 . 0 0 "[ . 1 . 2]" 1
433 1 9 LEU QB 1 9 LEU HG 2.900 . 3.900 2.165 2.153 2.172 . 0 0 "[ . 1 . 2]" 1
434 1 9 LEU HA 1 9 LEU QB 2.900 . 3.900 2.372 2.335 2.420 . 0 0 "[ . 1 . 2]" 1
435 1 9 LEU HA 1 9 LEU MD2 2.300 . 2.900 1.984 1.857 2.373 . 0 0 "[ . 1 . 2]" 1
436 1 10 SER HA 1 10 SER QB 2.500 . 3.300 2.335 2.154 2.535 . 0 0 "[ . 1 . 2]" 1
437 1 12 ILE QG 1 12 ILE MG 2.800 . 3.800 2.313 2.064 2.594 . 0 0 "[ . 1 . 2]" 1
438 1 12 ILE HB 1 12 ILE MG 2.300 . 2.900 2.124 2.112 2.137 . 0 0 "[ . 1 . 2]" 1
439 1 12 ILE HB 1 12 ILE MD 2.900 . 4.000 2.862 2.159 3.217 . 0 0 "[ . 1 . 2]" 1
440 1 12 ILE HA 1 12 ILE MG 2.400 . 3.100 2.327 2.129 2.690 . 0 0 "[ . 1 . 2]" 1
441 1 12 ILE HA 1 12 ILE MD 3.500 . 5.000 3.300 2.663 4.160 . 0 0 "[ . 1 . 2]" 1
442 1 16 ILE HA 1 16 ILE MD 3.600 . 5.200 3.884 3.567 4.157 . 0 0 "[ . 1 . 2]" 1
443 1 17 ARG QB 1 17 ARG QD 2.800 . 3.800 2.142 1.901 2.511 . 0 0 "[ . 1 . 2]" 1
444 1 17 ARG HA 1 17 ARG QD 3.600 . 5.200 3.595 2.012 4.341 . 0 0 "[ . 1 . 2]" 1
445 1 17 ARG HA 1 17 ARG QG 3.100 . 4.300 2.431 2.013 3.341 . 0 0 "[ . 1 . 2]" 1
446 1 18 GLU HA 1 18 GLU QG 3.300 . 4.600 2.375 2.182 3.025 . 0 0 "[ . 1 . 2]" 1
447 1 19 VAL HB 1 19 VAL MG2 2.300 . 2.900 2.120 2.102 2.129 . 0 0 "[ . 1 . 2]" 1
448 1 19 VAL HA 1 19 VAL HB 2.400 . 3.100 2.478 2.457 2.512 . 0 0 "[ . 1 . 2]" 1
449 1 19 VAL HB 1 43 SER HA 3.500 . 5.100 4.774 4.191 5.122 0.022 18 0 "[ . 1 . 2]" 1
450 1 20 THR HB 1 20 THR MG 2.100 . 2.600 2.130 2.123 2.134 . 0 0 "[ . 1 . 2]" 1
451 1 20 THR MG 1 21 VAL MG1 3.700 . 5.400 4.709 4.177 4.881 . 0 0 "[ . 1 . 2]" 1
452 1 20 THR HA 1 21 VAL MG2 3.700 . 5.400 3.567 3.462 3.674 . 0 0 "[ . 1 . 2]" 1
453 1 21 VAL HA 1 21 VAL MG1 2.600 . 3.400 2.256 2.180 2.323 . 0 0 "[ . 1 . 2]" 1
454 1 21 VAL HB 1 21 VAL MG2 2.400 . 3.100 2.107 2.086 2.131 . 0 0 "[ . 1 . 2]" 1
455 1 21 VAL HB 1 21 VAL MG1 2.200 . 2.800 2.103 2.089 2.129 . 0 0 "[ . 1 . 2]" 1
456 1 21 VAL HA 1 21 VAL MG2 2.300 . 3.000 2.369 2.299 2.445 . 0 0 "[ . 1 . 2]" 1
457 1 21 VAL HA 1 41 VAL HA 2.400 . 3.100 2.593 2.450 2.825 . 0 0 "[ . 1 . 2]" 1
458 1 21 VAL MG1 1 65 LEU MD1 3.000 . 4.100 4.023 3.743 4.113 0.013 11 0 "[ . 1 . 2]" 1
459 1 26 VAL HB 1 26 VAL MG2 2.200 . 2.800 2.105 2.087 2.131 . 0 0 "[ . 1 . 2]" 1
460 1 26 VAL HA 1 26 VAL HB 2.300 . 3.000 2.413 2.379 2.576 . 0 0 "[ . 1 . 2]" 1
461 1 26 VAL HA 1 26 VAL MG2 2.600 . 3.400 3.194 3.163 3.206 . 0 0 "[ . 1 . 2]" 1
462 1 27 LYS QB 1 27 LYS QD 2.500 . 3.300 2.133 1.899 2.534 . 0 0 "[ . 1 . 2]" 1
463 1 27 LYS QE 1 27 LYS QG 2.800 . 3.800 2.106 1.913 2.426 . 0 0 "[ . 1 . 2]" 1
464 1 27 LYS QD 1 27 LYS QG 1.800 . 2.200 2.063 2.024 2.095 . 0 0 "[ . 1 . 2]" 1
465 1 27 LYS QD 1 27 LYS QE 2.200 . 2.800 2.053 1.973 2.091 . 0 0 "[ . 1 . 2]" 1
466 1 27 LYS HA 1 27 LYS QE 3.300 . 4.700 3.593 2.207 4.412 . 0 0 "[ . 1 . 2]" 1
467 1 27 LYS HA 1 27 LYS QB 2.200 . 2.800 2.472 2.326 2.538 . 0 0 "[ . 1 . 2]" 1
468 1 28 GLU HA 1 28 GLU QB 2.500 . 3.300 2.262 2.198 2.288 . 0 0 "[ . 1 . 2]" 1
469 1 28 GLU QB 1 28 GLU QG 2.000 . 2.500 2.049 2.017 2.076 . 0 0 "[ . 1 . 2]" 1
470 1 28 GLU HA 1 28 GLU QG 2.600 . 3.400 2.639 2.544 2.889 . 0 0 "[ . 1 . 2]" 1
471 1 28 GLU HA 1 58 ILE MG 2.400 . 3.100 2.946 2.723 3.108 0.008 20 0 "[ . 1 . 2]" 1
472 1 28 GLU HA 1 58 ILE MD 3.600 . 5.200 5.165 5.083 5.234 0.034 8 0 "[ . 1 . 2]" 1
473 1 28 GLU QG 1 61 LEU MD1 3.200 . 4.500 2.808 2.206 4.744 0.244 12 0 "[ . 1 . 2]" 1
474 1 32 VAL HB 1 55 ASP QB 3.800 . 5.600 5.304 5.094 5.401 . 0 0 "[ . 1 . 2]" 1
475 1 33 SER HA 1 33 SER HB3 2.900 . 3.900 2.677 2.272 3.029 . 0 0 "[ . 1 . 2]" 1
476 1 33 SER HA 1 55 ASP HA 2.600 . 3.400 2.305 1.972 2.624 . 0 0 "[ . 1 . 2]" 1
477 1 34 GLN HA 1 34 GLN QG 2.800 . 3.800 2.444 2.064 3.382 . 0 0 "[ . 1 . 2]" 1
478 1 34 GLN HA 1 34 GLN QB 2.600 . 3.500 2.401 2.174 2.533 . 0 0 "[ . 1 . 2]" 1
479 1 34 GLN HA 1 35 PHE QB 3.700 . 5.400 5.245 5.106 5.446 0.046 11 0 "[ . 1 . 2]" 1
480 1 34 GLN HA 1 52 SER QB 3.100 . 4.300 2.538 1.931 3.264 . 0 0 "[ . 1 . 2]" 1
481 1 34 GLN HA 1 52 SER HA 3.700 . 5.500 5.116 4.632 5.499 . 0 0 "[ . 1 . 2]" 1
482 1 34 GLN HA 1 53 ARG QB 3.400 . 4.900 4.746 4.212 4.922 0.022 20 0 "[ . 1 . 2]" 1
483 1 37 SER HA 1 37 SER QB 2.500 . 3.300 2.225 2.157 2.447 . 0 0 "[ . 1 . 2]" 1
484 1 37 SER QB 1 38 ILE HG13 3.300 . 4.600 4.574 4.417 4.688 0.088 7 0 "[ . 1 . 2]" 1
485 1 22 LYS HB3 1 40 GLU QB 3.200 . 4.400 3.496 3.087 4.000 . 0 0 "[ . 1 . 2]" 1
486 1 23 GLU QB 1 40 GLU QB 2.200 . 2.800 1.930 1.734 2.194 . 0 0 "[ . 1 . 2]" 1
487 1 40 GLU HA 1 40 GLU QB 3.100 . 4.100 2.383 2.237 2.518 . 0 0 "[ . 1 . 2]" 1
488 1 40 GLU HA 1 49 THR HA 2.900 . 3.900 2.437 2.087 2.691 . 0 0 "[ . 1 . 2]" 1
489 1 21 VAL MG1 1 41 VAL MG1 2.500 . 3.300 2.830 2.272 3.139 . 0 0 "[ . 1 . 2]" 1
490 1 21 VAL MG2 1 41 VAL MG1 1.900 . 2.400 2.330 2.221 2.435 0.035 17 0 "[ . 1 . 2]" 1
491 1 21 VAL HA 1 41 VAL MG1 2.600 . 3.500 2.012 1.866 2.191 . 0 0 "[ . 1 . 2]" 1
492 1 22 LYS HB2 1 41 VAL MG1 3.900 . 5.800 4.746 4.450 4.974 . 0 0 "[ . 1 . 2]" 1
493 1 41 VAL HA 1 41 VAL MG2 3.200 . 4.500 3.197 3.183 3.210 . 0 0 "[ . 1 . 2]" 1
494 1 41 VAL HA 1 41 VAL HB 2.700 . 3.600 2.430 2.391 2.503 . 0 0 "[ . 1 . 2]" 1
495 1 41 VAL HB 1 41 VAL MG1 2.300 . 2.900 2.096 2.081 2.122 . 0 0 "[ . 1 . 2]" 1
496 1 41 VAL HA 1 41 VAL MG1 2.300 . 3.000 2.381 2.250 2.447 . 0 0 "[ . 1 . 2]" 1
497 1 42 GLN HA 1 42 GLN QG 2.900 . 4.000 2.299 2.080 2.464 . 0 0 "[ . 1 . 2]" 1
498 1 19 VAL MG2 1 43 SER QB 3.200 . 4.500 2.567 1.914 3.283 . 0 0 "[ . 1 . 2]" 1
499 1 43 SER HA 1 43 SER QB 2.900 . 3.900 2.431 2.173 2.541 . 0 0 "[ . 1 . 2]" 1
500 1 42 GLN HA 1 47 SER HA 2.700 . 3.600 2.139 1.941 2.288 . 0 0 "[ . 1 . 2]" 1
501 1 47 SER HA 1 47 SER QB 2.900 . 3.900 2.269 2.157 2.540 . 0 0 "[ . 1 . 2]" 1
502 1 38 ILE HB 1 50 ILE QG 3.300 . 4.700 4.545 4.200 4.764 0.064 20 0 "[ . 1 . 2]" 1
503 1 50 ILE MD 1 50 ILE MG 2.500 . 3.300 2.118 1.799 3.204 . 0 0 "[ . 1 . 2]" 1
504 1 50 ILE HB 1 50 ILE MG 2.300 . 2.900 2.099 2.083 2.126 . 0 0 "[ . 1 . 2]" 1
505 1 50 ILE QG 1 50 ILE MG 2.500 . 3.300 2.235 1.883 2.405 . 0 0 "[ . 1 . 2]" 1
506 1 50 ILE HA 1 50 ILE MG 2.500 . 3.300 2.308 2.193 2.418 . 0 0 "[ . 1 . 2]" 1
507 1 37 SER HA 1 51 THR HA 2.900 . 3.900 2.678 2.113 2.991 . 0 0 "[ . 1 . 2]" 1
508 1 51 THR HA 1 51 THR MG 2.900 . 4.000 2.229 1.948 3.188 . 0 0 "[ . 1 . 2]" 1
509 1 51 THR HA 1 51 THR HB 2.800 . 3.800 2.663 2.356 2.982 . 0 0 "[ . 1 . 2]" 1
510 1 38 ILE MD 1 52 SER QB 3.200 . 4.500 4.179 3.440 4.540 0.040 14 0 "[ . 1 . 2]" 1
511 1 52 SER HA 1 52 SER QB 2.500 . 3.300 2.395 2.209 2.541 . 0 0 "[ . 1 . 2]" 1
512 1 53 ARG QB 1 53 ARG HD2 2.500 . 3.300 2.431 2.055 2.905 . 0 0 "[ . 1 . 2]" 1
513 1 53 ARG HA 1 53 ARG QD 3.100 . 4.300 3.428 2.117 4.326 0.026 17 0 "[ . 1 . 2]" 1
514 1 54 TYR HA 1 54 TYR HB3 2.700 . 3.600 2.790 2.631 3.004 . 0 0 "[ . 1 . 2]" 1
515 1 54 TYR HA 1 54 TYR HB2 3.000 . 4.100 2.903 2.613 3.004 . 0 0 "[ . 1 . 2]" 1
516 1 33 SER HA 1 55 ASP QB 3.200 . 4.500 2.916 2.348 3.188 . 0 0 "[ . 1 . 2]" 1
517 1 55 ASP HA 1 55 ASP QB 2.600 . 3.400 2.230 2.152 2.317 . 0 0 "[ . 1 . 2]" 1
518 1 29 GLY QA 1 57 VAL MG1 2.800 . 3.800 3.607 3.449 3.795 . 0 0 "[ . 1 . 2]" 1
519 1 31 THR MG 1 57 VAL MG1 3.600 . 5.200 3.561 2.857 3.987 . 0 0 "[ . 1 . 2]" 1
520 1 57 VAL HB 1 57 VAL MG1 2.100 . 2.700 2.106 2.082 2.129 . 0 0 "[ . 1 . 2]" 1
521 1 57 VAL MG1 1 58 ILE QG 3.900 . 5.800 4.361 4.222 4.486 . 0 0 "[ . 1 . 2]" 1
522 1 57 VAL MG1 1 59 LYS QB 3.100 . 4.300 3.808 3.154 4.168 . 0 0 "[ . 1 . 2]" 1
523 1 57 VAL MG1 1 79 GLU QB 3.500 . 5.000 3.902 3.553 4.275 . 0 0 "[ . 1 . 2]" 1
524 1 58 ILE MD 1 58 ILE MG 1.800 . 2.200 1.969 1.637 2.218 0.018 7 0 "[ . 1 . 2]" 1
525 1 58 ILE QG 1 58 ILE MG 2.300 . 2.900 2.296 2.149 2.462 . 0 0 "[ . 1 . 2]" 1
526 1 58 ILE HB 1 58 ILE MG 2.100 . 2.600 2.107 2.090 2.124 . 0 0 "[ . 1 . 2]" 1
527 1 58 ILE HA 1 58 ILE MG 2.300 . 2.900 2.203 2.110 2.243 . 0 0 "[ . 1 . 2]" 1
528 1 58 ILE MG 1 77 ASP HB2 3.600 . 5.200 4.767 4.504 5.077 . 0 0 "[ . 1 . 2]" 1
529 1 58 ILE MG 1 78 ILE MG 2.500 . 3.300 3.229 3.088 3.350 0.050 18 0 "[ . 1 . 2]" 1
530 1 59 LYS QB 1 60 LYS QE 3.200 . 4.500 2.682 1.858 4.400 0.042 4 0 "[ . 1 . 2]" 1
531 1 60 LYS QE 1 60 LYS QG 2.700 . 3.600 2.503 1.977 2.864 . 0 0 "[ . 1 . 2]" 1
532 1 60 LYS HA 1 60 LYS HB2 2.500 . 3.300 2.449 2.274 2.966 . 0 0 "[ . 1 . 2]" 1
533 1 60 LYS HA 1 60 LYS HB3 2.700 . 3.600 2.494 2.231 2.638 . 0 0 "[ . 1 . 2]" 1
534 1 27 LYS HA 1 61 LEU MD2 3.400 . 4.800 4.062 3.243 4.729 . 0 0 "[ . 1 . 2]" 1
535 1 28 GLU HA 1 61 LEU MD1 3.100 . 4.300 3.128 1.959 5.017 0.717 12 1 "[ . 1 + . 2]" 1
536 1 61 LEU HB2 1 61 LEU MD1 2.800 . 3.800 2.090 1.899 2.589 . 0 0 "[ . 1 . 2]" 1
537 1 61 LEU HB2 1 61 LEU HG 2.500 . 3.300 2.676 2.286 2.962 . 0 0 "[ . 1 . 2]" 1
538 1 61 LEU HB3 1 61 LEU HG 2.800 . 3.800 2.929 2.703 3.026 . 0 0 "[ . 1 . 2]" 1
539 1 61 LEU MD1 1 61 LEU HG 2.200 . 2.800 2.096 2.077 2.125 . 0 0 "[ . 1 . 2]" 1
540 1 61 LEU MD2 1 61 LEU HG 2.200 . 2.800 2.108 2.066 2.125 . 0 0 "[ . 1 . 2]" 1
541 1 61 LEU HB3 1 61 LEU MD1 3.100 . 4.300 2.688 2.076 3.081 . 0 0 "[ . 1 . 2]" 1
542 1 61 LEU HB3 1 61 LEU MD2 2.400 . 3.100 2.177 1.960 2.692 . 0 0 "[ . 1 . 2]" 1
543 1 61 LEU HB2 1 61 LEU MD2 2.900 . 4.000 3.049 2.675 3.192 . 0 0 "[ . 1 . 2]" 1
544 1 61 LEU HA 1 61 LEU HB3 2.500 . 3.300 2.536 2.407 2.641 . 0 0 "[ . 1 . 2]" 1
545 1 61 LEU HA 1 61 LEU MD2 2.700 . 3.600 2.596 1.854 3.456 . 0 0 "[ . 1 . 2]" 1
546 1 61 LEU HA 1 61 LEU MD1 3.700 . 5.400 3.762 3.506 3.859 . 0 0 "[ . 1 . 2]" 1
547 1 61 LEU MD2 1 75 LEU HG 3.600 . 5.200 4.889 4.178 5.235 0.035 20 0 "[ . 1 . 2]" 1
548 1 61 LEU MD2 1 76 VAL MG1 2.700 . 3.600 2.968 2.324 3.272 . 0 0 "[ . 1 . 2]" 1
549 1 63 TYR HA 1 63 TYR HB3 2.900 . 3.900 2.457 2.324 2.511 . 0 0 "[ . 1 . 2]" 1
550 1 63 TYR HB2 1 67 ASP HB3 4.300 . 6.000 4.732 3.827 5.297 . 0 0 "[ . 1 . 2]" 1
551 1 64 ASN HA 1 64 ASN HB2 2.700 . 3.600 3.023 3.017 3.026 . 0 0 "[ . 1 . 2]" 1
552 1 21 VAL HB 1 65 LEU HB3 4.000 . 6.000 4.628 4.441 4.736 . 0 0 "[ . 1 . 2]" 1
553 1 21 VAL HB 1 65 LEU HG 2.800 . 3.800 3.687 3.454 3.825 0.025 19 0 "[ . 1 . 2]" 1
554 1 23 GLU HA 1 65 LEU MD2 3.000 . 4.100 2.163 1.908 2.781 . 0 0 "[ . 1 . 2]" 1
555 1 65 LEU HA 1 65 LEU MD1 3.300 . 4.600 3.613 3.428 3.769 . 0 0 "[ . 1 . 2]" 1
556 1 65 LEU HB3 1 65 LEU MD1 3.400 . 4.800 2.882 2.552 3.056 . 0 0 "[ . 1 . 2]" 1
557 1 65 LEU HB2 1 65 LEU MD1 2.700 . 3.600 2.033 1.916 2.219 . 0 0 "[ . 1 . 2]" 1
558 1 65 LEU HB3 1 65 LEU MD2 2.400 . 3.100 2.044 1.904 2.207 . 0 0 "[ . 1 . 2]" 1
559 1 65 LEU HB2 1 65 LEU MD2 3.400 . 4.800 2.954 2.713 3.135 . 0 0 "[ . 1 . 2]" 1
560 1 65 LEU HB3 1 65 LEU HG 2.500 . 3.300 2.853 2.715 2.981 . 0 0 "[ . 1 . 2]" 1
561 1 65 LEU HB2 1 65 LEU HG 2.500 . 3.300 2.819 2.615 2.944 . 0 0 "[ . 1 . 2]" 1
562 1 65 LEU MD2 1 65 LEU HG 2.100 . 2.700 2.106 2.085 2.129 . 0 0 "[ . 1 . 2]" 1
563 1 65 LEU HA 1 65 LEU HB2 2.400 . 3.100 2.992 2.960 3.011 . 0 0 "[ . 1 . 2]" 1
564 1 65 LEU HA 1 65 LEU HB3 2.800 . 3.800 2.581 2.507 2.668 . 0 0 "[ . 1 . 2]" 1
565 1 63 TYR HB3 1 67 ASP HB3 2.800 . 3.800 3.189 2.094 3.820 0.020 17 0 "[ . 1 . 2]" 1
566 1 63 TYR HB3 1 67 ASP HB2 2.900 . 3.900 2.809 1.909 3.949 0.049 7 0 "[ . 1 . 2]" 1
567 1 67 ASP HA 1 67 ASP HB2 2.700 . 3.600 2.943 2.728 3.021 . 0 0 "[ . 1 . 2]" 1
568 1 67 ASP HA 1 67 ASP HB3 3.000 . 4.100 2.545 2.347 2.931 . 0 0 "[ . 1 . 2]" 1
569 1 20 THR MG 1 68 ILE MG 3.800 . 5.700 3.657 3.407 4.779 . 0 0 "[ . 1 . 2]" 1
570 1 68 ILE MD 1 68 ILE MG 2.400 . 3.100 1.881 1.661 2.064 0.039 15 0 "[ . 1 . 2]" 1
571 1 68 ILE HB 1 68 ILE MD 3.300 . 4.600 3.190 3.018 3.214 . 0 0 "[ . 1 . 2]" 1
572 1 68 ILE QG 1 68 ILE MG 2.700 . 3.600 2.446 2.326 2.677 . 0 0 "[ . 1 . 2]" 1
573 1 68 ILE HB 1 68 ILE QG 2.500 . 3.300 2.179 2.159 2.190 . 0 0 "[ . 1 . 2]" 1
574 1 68 ILE HB 1 68 ILE MG 2.100 . 2.600 2.111 2.071 2.124 . 0 0 "[ . 1 . 2]" 1
575 1 68 ILE HA 1 68 ILE MG 2.300 . 3.000 2.240 2.201 2.332 . 0 0 "[ . 1 . 2]" 1
576 1 9 LEU MD1 1 71 VAL HA 2.900 . 4.000 2.800 1.927 3.413 . 0 0 "[ . 1 . 2]" 1
577 1 9 LEU HG 1 71 VAL HA 3.400 . 4.800 4.624 4.099 4.876 0.076 19 0 "[ . 1 . 2]" 1
578 1 9 LEU QB 1 71 VAL HA 2.800 . 3.800 2.771 2.141 3.273 . 0 0 "[ . 1 . 2]" 1
579 1 71 VAL HA 1 71 VAL MG2 2.600 . 3.400 2.454 2.143 2.625 . 0 0 "[ . 1 . 2]" 1
580 1 71 VAL HA 1 71 VAL MG1 2.900 . 4.000 2.520 2.082 3.208 . 0 0 "[ . 1 . 2]" 1
581 1 73 LYS QB 1 73 LYS QE 2.800 . 3.800 2.747 1.862 3.701 . 0 0 "[ . 1 . 2]" 1
582 1 73 LYS HA 1 73 LYS HE3 3.300 . 4.600 4.424 3.256 5.490 0.890 17 3 "[ - . *1 . + 2]" 1
583 1 73 LYS HE3 1 74 PRO QD 3.200 . 4.500 3.827 2.341 5.468 0.968 2 2 "[ + - 1 . 2]" 1
584 1 8 LYS HA 1 74 PRO HA 2.300 . 3.000 2.317 1.929 3.028 0.028 12 0 "[ . 1 . 2]" 1
585 1 73 LYS QB 1 74 PRO QD 3.500 . 5.000 3.160 2.741 3.523 . 0 0 "[ . 1 . 2]" 1
586 1 73 LYS HA 1 74 PRO QD 2.600 . 3.400 1.883 1.827 1.953 . 0 0 "[ . 1 . 2]" 1
587 1 74 PRO QB 1 74 PRO QG 2.800 . 3.700 1.970 1.949 1.991 . 0 0 "[ . 1 . 2]" 1
588 1 75 LEU QB 1 75 LEU MD1 2.600 . 3.400 2.104 1.897 2.648 . 0 0 "[ . 1 . 2]" 1
589 1 75 LEU QB 1 76 VAL MG1 3.700 . 5.400 3.843 2.685 4.434 . 0 0 "[ . 1 . 2]" 1
590 1 75 LEU QB 1 76 VAL MG2 3.900 . 5.800 5.224 4.892 5.414 . 0 0 "[ . 1 . 2]" 1
591 1 7 PHE QB 1 76 VAL MG2 4.400 . 6.000 4.151 3.866 4.620 . 0 0 "[ . 1 . 2]" 1
592 1 58 ILE MD 1 76 VAL MG2 2.900 . 4.000 3.461 3.192 3.850 . 0 0 "[ . 1 . 2]" 1
593 1 60 LYS QD 1 76 VAL MG2 2.400 . 3.100 3.085 2.838 3.317 0.217 17 0 "[ . 1 . 2]" 1
594 1 61 LEU MD2 1 76 VAL MG2 2.400 . 3.100 1.967 1.650 2.330 0.050 12 0 "[ . 1 . 2]" 1
595 1 61 LEU HA 1 76 VAL HA 3.000 . 4.100 3.599 3.242 3.901 . 0 0 "[ . 1 . 2]" 1
596 1 61 LEU HA 1 76 VAL MG2 2.600 . 3.400 3.127 2.544 3.452 0.052 12 0 "[ . 1 . 2]" 1
597 1 76 VAL HB 1 76 VAL MG1 2.400 . 3.100 2.098 2.081 2.129 . 0 0 "[ . 1 . 2]" 1
598 1 76 VAL HB 1 76 VAL MG2 2.400 . 3.100 2.105 2.083 2.130 . 0 0 "[ . 1 . 2]" 1
599 1 76 VAL HA 1 76 VAL HB 2.400 . 3.100 2.441 2.366 2.489 . 0 0 "[ . 1 . 2]" 1
600 1 76 VAL HA 1 76 VAL MG2 2.600 . 3.400 2.293 2.187 2.557 . 0 0 "[ . 1 . 2]" 1
601 1 6 GLN HA 1 77 ASP HA 2.500 . 3.300 2.193 1.919 2.515 . 0 0 "[ . 1 . 2]" 1
602 1 77 ASP HA 1 77 ASP HB2 2.600 . 3.400 3.003 2.977 3.029 . 0 0 "[ . 1 . 2]" 1
603 1 77 ASP HB2 1 78 ILE QG 3.400 . 4.800 4.763 4.681 4.865 0.065 11 0 "[ . 1 . 2]" 1
604 1 77 ASP HA 1 78 ILE QG 3.500 . 5.000 3.723 3.649 3.840 . 0 0 "[ . 1 . 2]" 1
605 1 5 VAL MG2 1 78 ILE QG 3.800 . 5.600 4.260 4.067 4.332 . 0 0 "[ . 1 . 2]" 1
606 1 78 ILE HB 1 78 ILE MD 2.400 . 3.100 2.091 2.026 2.198 . 0 0 "[ . 1 . 2]" 1
607 1 78 ILE MD 1 78 ILE QG 1.800 . 2.200 1.848 1.842 1.860 . 0 0 "[ . 1 . 2]" 1
608 1 78 ILE QG 1 78 ILE MG 2.100 . 2.600 2.032 1.981 2.087 . 0 0 "[ . 1 . 2]" 1
609 1 78 ILE HB 1 78 ILE MG 2.200 . 2.800 2.112 2.090 2.124 . 0 0 "[ . 1 . 2]" 1
610 1 78 ILE HA 1 78 ILE HB 2.900 . 4.000 2.982 2.964 2.999 . 0 0 "[ . 1 . 2]" 1
611 1 78 ILE HA 1 78 ILE MG 2.300 . 2.900 2.129 2.009 2.215 . 0 0 "[ . 1 . 2]" 1
612 1 78 ILE HA 1 78 ILE MD 3.800 . 5.600 3.622 3.529 3.703 . 0 0 "[ . 1 . 2]" 1
613 1 78 ILE MG 1 79 GLU QB 3.800 . 5.600 3.881 3.757 4.137 . 0 0 "[ . 1 . 2]" 1
614 1 78 ILE MG 1 80 THR MG 2.700 . 3.600 2.879 2.425 3.610 0.010 7 0 "[ . 1 . 2]" 1
615 1 80 THR HB 1 80 THR MG 2.300 . 3.000 2.107 2.090 2.137 . 0 0 "[ . 1 . 2]" 1
616 1 80 THR HA 1 80 THR MG 2.600 . 3.500 2.059 1.944 2.283 . 0 0 "[ . 1 . 2]" 1
617 1 83 LEU HA 1 83 LEU QB 2.600 . 3.400 2.510 2.409 2.540 . 0 0 "[ . 1 . 2]" 1
618 1 86 LEU QB 1 86 LEU QD 2.500 . 2.900 1.907 1.787 2.072 0.113 5 0 "[ . 1 . 2]" 1
619 1 4 VAL QG 1 59 LYS QD 3.100 . 4.300 3.932 1.987 4.335 0.035 10 0 "[ . 1 . 2]" 1
620 1 4 VAL QG 1 59 LYS QB 3.100 . 4.300 3.724 3.219 4.049 . 0 0 "[ . 1 . 2]" 1
621 1 4 VAL MG2 1 77 ASP HA 2.800 . 3.800 3.429 3.090 3.824 0.024 20 0 "[ . 1 . 2]" 1
622 1 4 VAL HB 1 77 ASP HB2 2.900 . 4.000 4.051 3.895 4.094 0.094 2 0 "[ . 1 . 2]" 1
623 1 4 VAL QG 1 77 ASP HB2 2.300 . 3.000 2.893 2.624 3.034 0.034 18 0 "[ . 1 . 2]" 1
624 1 4 VAL HB 1 78 ILE MD 3.800 . 5.600 4.760 4.525 5.036 . 0 0 "[ . 1 . 2]" 1
625 1 4 VAL QG 1 79 GLU HA 3.100 . 4.300 3.036 2.700 3.488 . 0 0 "[ . 1 . 2]" 1
626 1 4 VAL HB 1 79 GLU QG 2.500 . 3.300 3.269 3.014 3.352 0.052 1 0 "[ . 1 . 2]" 1
627 1 5 VAL MG2 1 78 ILE MD 2.100 . 2.600 2.645 2.610 2.685 0.085 18 0 "[ . 1 . 2]" 1
628 1 5 VAL MG2 1 80 THR HB 3.400 . 4.800 3.467 2.592 3.969 . 0 0 "[ . 1 . 2]" 1
629 1 5 VAL MG2 1 80 THR MG 2.500 . 3.300 3.331 3.118 3.456 0.156 7 0 "[ . 1 . 2]" 1
630 1 7 PHE QB 1 75 LEU MD2 3.400 . 4.900 3.868 2.921 4.992 0.092 6 0 "[ . 1 . 2]" 1
631 1 8 LYS QE 1 73 LYS HA 2.900 . 4.000 3.721 2.612 4.058 0.058 8 0 "[ . 1 . 2]" 1
632 1 8 LYS QE 1 74 PRO HA 3.100 . 4.300 3.436 2.921 4.026 . 0 0 "[ . 1 . 2]" 1
633 1 12 ILE MG 1 19 VAL MG1 3.800 . 5.600 4.275 3.840 4.657 . 0 0 "[ . 1 . 2]" 1
634 1 12 ILE MD 1 43 SER QB 3.400 . 4.800 3.746 3.071 4.806 0.006 13 0 "[ . 1 . 2]" 1
635 1 18 GLU QG 1 68 ILE MG 3.500 . 5.000 3.405 3.096 3.570 . 0 0 "[ . 1 . 2]" 1
636 1 9 LEU QD 1 19 VAL MG1 2.600 . 3.500 1.651 1.625 1.695 0.075 5 0 "[ . 1 . 2]" 1
637 1 12 ILE MD 1 19 VAL MG1 2.000 . 2.500 2.040 1.814 2.373 . 0 0 "[ . 1 . 2]" 1
638 1 19 VAL MG1 1 41 VAL HA 3.300 . 4.600 4.433 4.150 4.607 0.007 18 0 "[ . 1 . 2]" 1
639 1 19 VAL MG1 1 41 VAL HB 2.500 . 3.300 2.409 2.032 2.580 . 0 0 "[ . 1 . 2]" 1
640 1 19 VAL MG1 1 41 VAL MG2 2.400 . 3.100 2.249 1.952 2.457 . 0 0 "[ . 1 . 2]" 1
641 1 20 THR MG 1 41 VAL HA 4.200 . 6.000 5.836 4.792 6.021 0.021 3 0 "[ . 1 . 2]" 1
642 1 21 VAL MG1 1 39 CYS QB 2.900 . 4.000 2.874 2.139 3.918 . 0 0 "[ . 1 . 2]" 1
643 1 21 VAL MG1 1 41 VAL HA 3.600 . 5.200 3.671 3.415 4.060 . 0 0 "[ . 1 . 2]" 1
644 1 21 VAL MG1 1 65 LEU HA 2.600 . 3.500 2.710 2.468 2.976 . 0 0 "[ . 1 . 2]" 1
645 1 22 LYS QE 1 42 GLN QB 3.200 . 4.500 3.747 1.997 4.446 . 0 0 "[ . 1 . 2]" 1
646 1 26 VAL MG2 1 38 ILE HA 2.600 . 3.400 2.171 1.771 2.506 0.029 12 0 "[ . 1 . 2]" 1
647 1 26 VAL MG2 1 58 ILE HB 3.700 . 5.500 3.891 3.650 4.331 . 0 0 "[ . 1 . 2]" 1
648 1 26 VAL MG2 1 58 ILE MG 3.400 . 4.800 2.676 2.483 3.155 . 0 0 "[ . 1 . 2]" 1
649 1 26 VAL MG2 1 61 LEU HG 3.100 . 4.300 3.650 3.245 4.143 . 0 0 "[ . 1 . 2]" 1
650 1 26 VAL MG2 1 61 LEU MD2 3.300 . 4.700 2.292 1.862 3.264 0.038 20 0 "[ . 1 . 2]" 1
651 1 28 GLU QG 1 58 ILE MG 3.200 . 4.500 4.261 4.032 4.541 0.041 12 0 "[ . 1 . 2]" 1
652 1 28 GLU QG 1 60 LYS HA 2.500 . 3.300 2.474 2.015 2.924 . 0 0 "[ . 1 . 2]" 1
653 1 28 GLU QG 1 61 LEU HA 3.700 . 5.400 4.107 3.890 4.640 . 0 0 "[ . 1 . 2]" 1
654 1 28 GLU QG 1 61 LEU HG 3.000 . 4.100 3.570 3.163 4.125 0.025 6 0 "[ . 1 . 2]" 1
655 1 28 GLU QG 1 61 LEU MD2 4.000 . 6.000 4.366 3.996 4.829 . 0 0 "[ . 1 . 2]" 1
656 1 32 VAL MG1 1 36 ASP QB 2.900 . 4.000 2.758 2.322 3.092 . 0 0 "[ . 1 . 2]" 1
657 1 32 VAL HB 1 36 ASP QB 3.600 . 5.200 4.103 3.936 4.362 . 0 0 "[ . 1 . 2]" 1
658 1 32 VAL MG1 1 37 SER HA 2.800 . 3.800 3.646 3.427 3.813 0.013 14 0 "[ . 1 . 2]" 1
659 1 32 VAL MG1 1 52 SER QB 3.200 . 4.500 3.358 2.891 3.790 . 0 0 "[ . 1 . 2]" 1
660 1 32 VAL MG1 1 55 ASP HA 3.600 . 5.300 5.152 4.974 5.247 . 0 0 "[ . 1 . 2]" 1
661 1 32 VAL MG1 1 58 ILE HA 4.500 . 6.000 5.809 5.624 6.005 0.005 19 0 "[ . 1 . 2]" 1
662 1 32 VAL MG1 1 58 ILE MD 1.900 . 2.300 1.791 1.745 1.873 . 0 0 "[ . 1 . 2]" 1
663 1 32 VAL HB 1 58 ILE MD 3.900 . 5.800 3.942 3.714 4.098 . 0 0 "[ . 1 . 2]" 1
664 1 32 VAL MG1 1 58 ILE MG 3.400 . 4.900 4.324 4.052 4.600 . 0 0 "[ . 1 . 2]" 1
665 1 32 VAL MG1 1 78 ILE MG 3.600 . 5.200 3.520 3.229 3.806 . 0 0 "[ . 1 . 2]" 1
666 1 25 TYR QB 1 36 ASP HB2 3.100 . 4.300 3.790 2.910 4.337 0.037 4 0 "[ . 1 . 2]" 1
667 1 32 VAL HA 1 36 ASP QB 3.400 . 4.800 2.986 2.714 3.280 . 0 0 "[ . 1 . 2]" 1
668 1 32 VAL MG2 1 36 ASP QB 3.900 . 5.800 4.851 4.650 5.042 . 0 0 "[ . 1 . 2]" 1
669 1 7 PHE QD 1 38 ILE MG 3.400 . 4.800 3.896 3.224 4.520 . 0 0 "[ . 1 . 2]" 1
670 1 7 PHE QB 1 38 ILE MD 2.800 . 3.800 3.695 3.297 3.854 0.054 7 0 "[ . 1 . 2]" 1
671 1 7 PHE QB 1 38 ILE MG 2.900 . 4.000 3.782 3.285 4.050 0.050 12 0 "[ . 1 . 2]" 1
672 1 38 ILE MD 1 50 ILE MG 2.600 . 3.400 3.399 3.128 3.453 0.053 18 0 "[ . 1 . 2]" 1
673 1 38 ILE HB 1 50 ILE MG 2.700 . 3.600 2.730 2.438 2.977 . 0 0 "[ . 1 . 2]" 1
674 1 38 ILE MG 1 61 LEU MD2 2.900 . 4.000 2.700 2.538 2.903 . 0 0 "[ . 1 . 2]" 1
675 1 38 ILE MG 1 78 ILE HB 4.000 . 6.000 5.225 4.856 5.690 . 0 0 "[ . 1 . 2]" 1
676 1 38 ILE MG 1 78 ILE MD 3.000 . 4.200 3.144 2.547 4.192 . 0 0 "[ . 1 . 2]" 1
677 1 19 VAL HA 1 41 VAL MG2 3.800 . 5.600 5.582 5.466 5.655 0.055 6 0 "[ . 1 . 2]" 1
678 1 41 VAL MG2 1 48 VAL MG2 2.700 . 3.600 2.692 1.781 3.538 0.019 3 0 "[ . 1 . 2]" 1
679 1 42 GLN QB 1 47 SER HA 3.800 . 5.600 3.645 3.211 4.102 . 0 0 "[ . 1 . 2]" 1
680 1 40 GLU HA 1 49 THR MG 3.200 . 4.500 3.834 3.423 4.326 . 0 0 "[ . 1 . 2]" 1
681 1 7 PHE QE 1 50 ILE MG 3.800 . 5.600 3.357 2.127 3.959 . 0 0 "[ . 1 . 2]" 1
682 1 38 ILE MD 1 50 ILE HB 3.800 . 5.600 4.979 4.767 5.240 . 0 0 "[ . 1 . 2]" 1
683 1 37 SER QB 1 51 THR MG 3.000 . 4.100 3.175 2.364 4.072 . 0 0 "[ . 1 . 2]" 1
684 1 26 VAL HB 1 58 ILE MD 2.500 . 3.300 1.816 1.769 1.945 . 0 0 "[ . 1 . 2]" 1
685 1 26 VAL HB 1 58 ILE MG 3.500 . 5.100 3.623 3.383 3.876 . 0 0 "[ . 1 . 2]" 1
686 1 26 VAL MG1 1 58 ILE MD 2.000 . 2.500 2.100 1.877 2.300 . 0 0 "[ . 1 . 2]" 1
687 1 27 LYS HA 1 58 ILE MG 3.500 . 5.000 4.456 3.590 4.756 . 0 0 "[ . 1 . 2]" 1
688 1 28 GLU HA 1 58 ILE HB 2.900 . 4.000 4.027 3.904 4.074 0.074 16 0 "[ . 1 . 2]" 1
689 1 32 VAL MG2 1 58 ILE MG 4.100 . 6.000 4.053 3.784 4.273 . 0 0 "[ . 1 . 2]" 1
690 1 32 VAL MG2 1 58 ILE MD 2.000 . 2.500 2.156 1.767 2.397 . 0 0 "[ . 1 . 2]" 1
691 1 38 ILE MG 1 58 ILE MG 2.400 . 3.100 3.074 2.974 3.176 0.076 10 0 "[ . 1 . 2]" 1
692 1 38 ILE MG 1 58 ILE MD 2.300 . 3.000 2.237 1.958 2.746 . 0 0 "[ . 1 . 2]" 1
693 1 38 ILE MG 1 58 ILE HB 3.800 . 5.600 4.948 4.754 5.199 . 0 0 "[ . 1 . 2]" 1
694 1 58 ILE MG 1 61 LEU HA 3.700 . 5.400 4.367 4.224 4.532 . 0 0 "[ . 1 . 2]" 1
695 1 58 ILE MG 1 61 LEU HG 2.000 . 2.500 2.493 2.286 2.579 0.079 12 0 "[ . 1 . 2]" 1
696 1 58 ILE MG 1 61 LEU MD2 2.200 . 2.800 2.634 1.671 2.824 0.024 13 0 "[ . 1 . 2]" 1
697 1 58 ILE MG 1 78 ILE HA 3.500 . 5.000 3.712 3.526 4.005 . 0 0 "[ . 1 . 2]" 1
698 1 58 ILE MD 1 78 ILE MG 3.100 . 4.300 2.841 2.603 2.970 . 0 0 "[ . 1 . 2]" 1
699 1 58 ILE HB 1 78 ILE MG 4.000 . 6.000 3.884 3.761 4.111 . 0 0 "[ . 1 . 2]" 1
700 1 60 LYS HB3 1 77 ASP HB2 4.700 . 6.000 5.624 4.831 6.626 0.626 16 2 "[ . 1- .+ 2]" 1
701 1 38 ILE MG 1 61 LEU HG 3.200 . 4.500 4.556 4.471 4.635 0.135 12 0 "[ . 1 . 2]" 1
702 1 18 GLU HA 1 68 ILE MG 3.400 . 4.800 3.544 3.396 3.677 . 0 0 "[ . 1 . 2]" 1
703 1 18 GLU QB 1 68 ILE MG 2.400 . 3.100 1.719 1.665 1.789 0.035 18 0 "[ . 1 . 2]" 1
704 1 19 VAL HA 1 68 ILE MD 3.100 . 4.300 3.659 2.693 4.136 . 0 0 "[ . 1 . 2]" 1
705 1 20 THR HA 1 68 ILE MG 2.900 . 4.000 3.064 2.925 3.478 . 0 0 "[ . 1 . 2]" 1
706 1 20 THR HA 1 68 ILE MD 2.600 . 3.500 2.564 2.282 3.289 . 0 0 "[ . 1 . 2]" 1
707 1 6 GLN QG 1 74 PRO HG3 3.300 . 4.600 4.465 1.946 4.966 0.366 6 0 "[ . 1 . 2]" 1
708 1 6 GLN QB 1 74 PRO QB 2.600 . 3.500 2.095 1.773 3.200 0.027 2 0 "[ . 1 . 2]" 1
709 1 8 LYS HE2 1 74 PRO HG2 2.600 . 3.400 2.610 2.193 3.299 . 0 0 "[ . 1 . 2]" 1
710 1 7 PHE QD 1 76 VAL MG1 3.000 . 4.100 2.324 1.933 2.793 . 0 0 "[ . 1 . 2]" 1
711 1 7 PHE QB 1 76 VAL MG1 2.300 . 3.000 1.990 1.794 2.456 . 0 0 "[ . 1 . 2]" 1
712 1 38 ILE MG 1 76 VAL MG1 2.100 . 2.700 2.462 1.914 2.718 0.018 20 0 "[ . 1 . 2]" 1
713 1 38 ILE MD 1 76 VAL MG1 2.500 . 3.300 3.136 2.710 3.338 0.038 17 0 "[ . 1 . 2]" 1
714 1 61 LEU HG 1 76 VAL HB 3.400 . 4.800 3.714 2.873 4.914 0.114 12 0 "[ . 1 . 2]" 1
715 1 5 VAL MG2 1 78 ILE HB 2.500 . 3.300 2.781 2.486 2.965 . 0 0 "[ . 1 . 2]" 1
716 1 7 PHE QB 1 78 ILE MD 3.100 . 4.300 2.592 1.907 3.055 . 0 0 "[ . 1 . 2]" 1
717 1 38 ILE MD 1 78 ILE MG 2.700 . 3.600 2.192 1.876 2.598 . 0 0 "[ . 1 . 2]" 1
718 1 38 ILE MD 1 78 ILE MD 2.500 . 3.300 2.313 1.875 3.158 . 0 0 "[ . 1 . 2]" 1
719 1 56 GLY QA 1 78 ILE MG 2.500 . 3.300 2.481 2.350 2.666 . 0 0 "[ . 1 . 2]" 1
720 1 5 VAL MG2 1 79 GLU QG 3.900 . 5.800 4.660 4.359 4.964 . 0 0 "[ . 1 . 2]" 1
721 1 56 GLY QA 1 80 THR MG 3.000 . 4.100 2.135 1.882 2.834 0.018 6 0 "[ . 1 . 2]" 1
722 1 74 PRO HA 1 74 PRO QD 2.700 . 3.600 3.411 3.305 3.491 . 0 0 "[ . 1 . 2]" 1
723 1 54 TYR HB3 1 55 ASP QB 4.100 . 6.000 4.753 4.469 5.405 . 0 0 "[ . 1 . 2]" 1
724 1 27 LYS QE 1 64 ASN HD21 3.300 . 4.700 4.550 3.714 5.543 0.843 6 1 "[ .+ 1 . 2]" 1
725 1 86 LEU QB 1 87 GLU QG 3.400 . 4.800 2.767 2.075 4.254 . 0 0 "[ . 1 . 2]" 1
726 1 8 LYS QE 1 74 PRO HD2 2.900 . 3.900 3.076 1.995 4.359 0.459 14 0 "[ . 1 . 2]" 1
727 1 11 ASP QB 1 45 LYS QE 3.200 . 4.500 4.328 3.921 4.590 0.090 13 0 "[ . 1 . 2]" 1
728 1 64 ASN HB2 1 65 LEU MD1 4.300 . 6.000 4.808 4.325 5.463 . 0 0 "[ . 1 . 2]" 1
729 1 26 VAL HB 1 30 ASP QB 3.100 . 4.300 3.179 2.760 3.437 . 0 0 "[ . 1 . 2]" 1
730 1 30 ASP HA 1 30 ASP QB 2.500 . 3.300 2.471 2.354 2.536 . 0 0 "[ . 1 . 2]" 1
731 1 64 ASN HB3 1 65 LEU MD1 4.700 . 6.000 3.451 2.915 4.292 . 0 0 "[ . 1 . 2]" 1
732 1 24 TRP HB3 1 64 ASN HB3 3.800 . 5.600 5.654 5.608 5.688 0.088 15 0 "[ . 1 . 2]" 1
733 1 64 ASN HB3 1 65 LEU HB3 3.400 . 4.900 5.061 5.014 5.115 0.215 13 0 "[ . 1 . 2]" 1
734 1 21 VAL HB 1 64 ASN HB2 3.800 . 5.600 5.376 5.240 5.458 . 0 0 "[ . 1 . 2]" 1
735 1 70 TYR HA 1 70 TYR HB3 2.900 . 4.000 2.428 2.235 3.013 . 0 0 "[ . 1 . 2]" 1
736 1 44 ASP HA 1 44 ASP QB 2.500 . 3.300 2.371 2.173 2.540 . 0 0 "[ . 1 . 2]" 1
737 1 70 TYR HA 1 70 TYR HB2 2.700 . 3.600 2.799 2.361 3.027 . 0 0 "[ . 1 . 2]" 1
738 1 38 ILE HA 1 38 ILE HB 3.000 . 4.100 3.020 3.014 3.025 . 0 0 "[ . 1 . 2]" 1
739 1 38 ILE HB 1 38 ILE MD 2.900 . 3.900 2.629 2.444 2.866 . 0 0 "[ . 1 . 2]" 1
740 1 66 ASP QB 1 67 ASP HB2 3.600 . 5.200 4.827 4.198 5.174 . 0 0 "[ . 1 . 2]" 1
741 1 7 PHE HA 1 7 PHE QB 2.800 . 3.700 2.277 2.242 2.304 . 0 0 "[ . 1 . 2]" 1
742 1 25 TYR HA 1 25 TYR QB 3.000 . 4.100 2.510 2.445 2.538 . 0 0 "[ . 1 . 2]" 1
743 1 18 GLU QB 1 68 ILE HB 3.800 . 5.600 3.069 2.668 3.664 . 0 0 "[ . 1 . 2]" 1
744 1 62 TYR HA 1 62 TYR HB2 3.000 . 4.100 2.599 2.440 2.786 . 0 0 "[ . 1 . 2]" 1
745 1 60 LYS HB2 1 62 TYR HB2 3.900 . 5.800 5.454 4.866 5.853 0.053 18 0 "[ . 1 . 2]" 1
746 1 26 VAL HB 1 32 VAL HB 4.300 . 6.000 6.084 6.033 6.115 0.115 3 0 "[ . 1 . 2]" 1
747 1 32 VAL HB 1 80 THR MG 3.200 . 4.500 4.563 4.513 4.608 0.108 9 0 "[ . 1 . 2]" 1
748 1 32 VAL HA 1 32 VAL HB 2.500 . 3.300 2.788 2.739 2.846 . 0 0 "[ . 1 . 2]" 1
749 1 57 VAL HB 1 79 GLU QB 2.300 . 2.900 2.406 1.999 2.811 . 0 0 "[ . 1 . 2]" 1
750 1 18 GLU QB 1 18 GLU QG 2.300 . 2.900 2.024 1.974 2.057 . 0 0 "[ . 1 . 2]" 1
751 1 9 LEU MD1 1 18 GLU QG 3.600 . 5.200 4.292 3.905 5.202 0.002 19 0 "[ . 1 . 2]" 1
752 1 86 LEU QD 1 87 GLU QG 2.500 . 3.300 3.145 2.816 3.294 . 0 0 "[ . 1 . 2]" 1
753 1 87 GLU HA 1 87 GLU QG 2.800 . 3.800 2.895 2.179 3.373 . 0 0 "[ . 1 . 2]" 1
754 1 81 GLU HA 1 81 GLU QG 3.100 . 4.300 2.244 2.008 3.102 . 0 0 "[ . 1 . 2]" 1
755 1 57 VAL HA 1 57 VAL HB 2.900 . 3.900 3.016 3.000 3.023 . 0 0 "[ . 1 . 2]" 1
756 1 48 VAL HB 1 50 ILE QG 3.200 . 4.500 4.492 4.319 4.538 0.038 14 0 "[ . 1 . 2]" 1
757 1 6 GLN QG 1 78 ILE MD 3.000 . 4.100 3.880 3.525 4.320 0.220 11 0 "[ . 1 . 2]" 1
758 1 6 GLN QG 1 78 ILE QG 3.500 . 5.000 5.141 5.032 6.280 1.280 11 1 "[ . 1+ . 2]" 1
759 1 8 LYS QB 1 8 LYS QD 3.400 . 4.900 2.328 2.103 2.460 . 0 0 "[ . 1 . 2]" 1
760 1 8 LYS HB2 1 75 LEU MD1 4.000 . 6.000 4.334 3.459 5.820 . 0 0 "[ . 1 . 2]" 1
761 1 34 GLN QG 1 53 ARG QB 3.800 . 5.600 4.252 3.552 5.585 . 0 0 "[ . 1 . 2]" 1
762 1 8 LYS HB2 1 74 PRO HG2 2.500 . 3.300 3.102 2.610 3.522 0.222 12 0 "[ . 1 . 2]" 1
763 1 8 LYS HB2 1 75 LEU HB2 4.000 . 6.000 4.877 3.878 5.857 . 0 0 "[ . 1 . 2]" 1
764 1 22 LYS HA 1 22 LYS HB2 2.700 . 3.600 2.661 2.415 2.875 . 0 0 "[ . 1 . 2]" 1
765 1 59 LYS QB 1 60 LYS QD 3.400 . 4.900 2.949 1.951 3.797 . 0 0 "[ . 1 . 2]" 1
766 1 22 LYS HA 1 22 LYS HB3 3.000 . 4.100 2.960 2.822 3.020 . 0 0 "[ . 1 . 2]" 1
767 1 59 LYS QB 1 59 LYS QD 2.000 . 2.500 2.107 1.925 2.383 . 0 0 "[ . 1 . 2]" 1
768 1 23 GLU HA 1 40 GLU QB 3.200 . 4.500 4.137 3.741 4.420 . 0 0 "[ . 1 . 2]" 1
769 1 17 ARG HA 1 17 ARG QB 2.900 . 3.900 2.417 2.175 2.540 . 0 0 "[ . 1 . 2]" 1
770 1 4 VAL HB 1 77 ASP HB3 2.800 . 3.800 3.123 2.572 3.487 . 0 0 "[ . 1 . 2]" 1
771 1 71 VAL HB 1 72 GLY QA 3.700 . 5.400 4.465 4.040 5.194 . 0 0 "[ . 1 . 2]" 1
772 1 81 GLU QB 1 83 LEU QD 2.500 . 3.300 3.134 2.611 3.292 . 0 0 "[ . 1 . 2]" 1
773 1 21 VAL HA 1 21 VAL HB 2.700 . 3.600 3.021 3.015 3.026 . 0 0 "[ . 1 . 2]" 1
774 1 53 ARG QB 1 83 LEU QD 2.800 . 3.800 3.431 2.647 3.747 . 0 0 "[ . 1 . 2]" 1
775 1 53 ARG QB 1 53 ARG QD 3.300 . 4.600 2.366 1.980 2.789 0.020 2 0 "[ . 1 . 2]" 1
776 1 21 VAL HB 1 65 LEU HA 3.100 . 4.300 2.054 1.913 2.218 . 0 0 "[ . 1 . 2]" 1
777 1 86 LEU HA 1 87 GLU QB 3.700 . 5.400 4.986 4.422 5.468 0.068 11 0 "[ . 1 . 2]" 1
778 1 39 CYS HA 1 39 CYS QB 2.500 . 3.300 2.244 2.149 2.419 . 0 0 "[ . 1 . 2]" 1
779 1 78 ILE HA 1 78 ILE QG 3.000 . 4.200 2.647 2.546 2.767 . 0 0 "[ . 1 . 2]" 1
780 1 6 GLN QB 1 74 PRO QG 3.400 . 3.800 3.131 2.623 3.846 0.046 12 0 "[ . 1 . 2]" 1
781 1 8 LYS QE 1 74 PRO QG 2.700 . 3.600 2.598 2.189 3.285 . 0 0 "[ . 1 . 2]" 1
782 1 73 LYS HA 1 74 PRO QG 4.000 . 6.000 3.787 3.715 3.860 . 0 0 "[ . 1 . 2]" 1
783 1 53 ARG QG 1 83 LEU QD 2.800 . 3.800 2.372 1.874 2.949 . 0 0 "[ . 1 . 2]" 1
784 1 74 PRO HA 1 74 PRO QG 2.700 . 3.600 2.958 2.637 3.179 . 0 0 "[ . 1 . 2]" 1
785 1 60 LYS QD 1 61 LEU HG 3.700 . 5.400 4.951 4.444 5.472 0.072 12 0 "[ . 1 . 2]" 1
786 1 83 LEU QB 1 83 LEU HG 2.200 . 2.800 2.422 2.257 2.540 . 0 0 "[ . 1 . 2]" 1
787 1 53 ARG QG 1 80 THR MG 3.200 . 4.500 4.487 4.152 4.628 0.128 7 0 "[ . 1 . 2]" 1
788 1 16 ILE HA 1 16 ILE QG 3.300 . 4.700 3.347 3.314 3.431 . 0 0 "[ . 1 . 2]" 1
789 1 16 ILE QG 1 18 GLU QG 3.300 . 4.600 4.676 4.605 4.818 0.218 10 0 "[ . 1 . 2]" 1
790 1 53 ARG HA 1 53 ARG QG 3.600 . 5.200 3.369 3.209 3.494 . 0 0 "[ . 1 . 2]" 1
791 1 9 LEU HA 1 9 LEU HG 3.600 . 5.200 3.783 3.658 3.846 . 0 0 "[ . 1 . 2]" 1
792 1 9 LEU HG 1 12 ILE MD 3.400 . 4.900 3.503 2.952 3.830 . 0 0 "[ . 1 . 2]" 1
793 1 59 LYS QD 1 60 LYS HE2 2.700 . 3.600 2.975 1.863 3.689 0.089 7 0 "[ . 1 . 2]" 1
794 1 12 ILE QG 1 16 ILE MD 2.200 . 2.800 2.791 2.496 2.971 0.171 2 0 "[ . 1 . 2]" 1
795 1 9 LEU MD2 1 12 ILE QG 3.100 . 4.300 4.202 3.438 4.328 0.028 8 0 "[ . 1 . 2]" 1
796 1 12 ILE QG 1 16 ILE QG 2.600 . 3.400 3.355 3.007 3.493 0.093 8 0 "[ . 1 . 2]" 1
797 1 9 LEU MD2 1 9 LEU HG 2.300 . 3.000 2.067 2.060 2.077 . 0 0 "[ . 1 . 2]" 1
798 1 9 LEU HG 1 75 LEU QD 3.300 . 4.700 4.621 4.366 4.816 0.116 16 0 "[ . 1 . 2]" 1
799 1 59 LYS QD 1 59 LYS QE 3.100 . 4.300 2.039 1.985 2.089 . 0 0 "[ . 1 . 2]" 1
800 1 59 LYS HA 1 59 LYS QD 3.600 . 5.200 4.011 3.714 4.548 . 0 0 "[ . 1 . 2]" 1
801 1 9 LEU HA 1 75 LEU QD 3.100 . 4.300 3.408 2.835 4.307 0.007 19 0 "[ . 1 . 2]" 1
802 1 63 TYR HB2 1 75 LEU QD 3.000 . 4.100 2.629 1.872 3.870 0.028 6 0 "[ . 1 . 2]" 1
803 1 75 LEU QB 1 75 LEU QD 2.600 . 3.400 1.843 1.719 2.010 0.081 2 0 "[ . 1 . 2]" 1
804 1 9 LEU HB2 1 75 LEU QD 2.200 . 2.800 2.831 2.714 2.946 0.146 2 0 "[ . 1 . 2]" 1
805 1 75 LEU HA 1 75 LEU QD 3.400 . 4.800 3.105 1.970 3.461 0.030 6 0 "[ . 1 . 2]" 1
806 1 7 PHE QD 1 75 LEU MD1 2.900 . 4.000 2.159 1.703 3.046 0.097 18 0 "[ . 1 . 2]" 1
807 1 24 TRP HH2 1 75 LEU QD 3.000 . 4.200 2.589 2.191 3.319 . 0 0 "[ . 1 . 2]" 1
808 1 65 LEU HA 1 65 LEU MD2 3.600 . 5.200 2.997 2.455 3.419 . 0 0 "[ . 1 . 2]" 1
809 1 26 VAL HB 1 58 ILE QG 3.900 . 5.800 3.811 3.338 4.027 . 0 0 "[ . 1 . 2]" 1
810 1 69 ALA MB 1 75 LEU QD 3.000 . 4.100 2.407 1.878 2.818 0.022 19 0 "[ . 1 . 2]" 1
811 1 7 PHE HZ 1 75 LEU QD 3.500 . 5.000 4.004 3.403 4.734 . 0 0 "[ . 1 . 2]" 1
812 1 60 LYS HB2 1 60 LYS QG 3.200 . 4.500 2.229 2.159 2.454 . 0 0 "[ . 1 . 2]" 1
813 1 60 LYS HA 1 60 LYS QG 3.700 . 5.400 3.337 2.754 3.467 . 0 0 "[ . 1 . 2]" 1
814 1 7 PHE QE 1 9 LEU MD2 3.500 . 5.000 3.996 3.539 4.288 . 0 0 "[ . 1 . 2]" 1
815 1 9 LEU MD2 1 18 GLU HA 3.600 . 5.200 5.073 4.666 5.217 0.017 13 0 "[ . 1 . 2]" 1
816 1 45 LYS QB 1 45 LYS QG 1.900 . 2.300 2.061 2.016 2.087 . 0 0 "[ . 1 . 2]" 1
817 1 9 LEU MD2 1 12 ILE MD 2.100 . 2.700 2.758 2.567 2.841 0.141 2 0 "[ . 1 . 2]" 1
818 1 59 LYS QG 1 60 LYS HA 3.400 . 4.800 4.369 3.834 4.803 0.003 2 0 "[ . 1 . 2]" 1
819 1 6 GLN QB 1 86 LEU QD 3.100 . 4.300 3.246 2.762 3.972 . 0 0 "[ . 1 . 2]" 1
820 1 86 LEU HA 1 86 LEU QD 2.400 . 3.100 2.376 1.826 3.174 0.074 11 0 "[ . 1 . 2]" 1
821 1 8 LYS HE3 1 86 LEU QD 2.700 . 3.600 3.588 2.588 4.432 0.832 16 3 "[ . * 1 -.+ 2]" 1
822 1 85 ASP QB 1 86 LEU MD1 3.000 . 4.100 3.713 1.937 4.692 0.592 2 1 "[ + . 1 . 2]" 1
823 1 6 GLN HE21 1 86 LEU QD 2.900 . 4.000 3.755 2.432 4.100 0.100 20 0 "[ . 1 . 2]" 1
824 1 48 VAL HA 1 49 THR MG 3.400 . 4.800 3.646 3.372 3.901 . 0 0 "[ . 1 . 2]" 1
825 1 42 GLN HE21 1 49 THR MG 2.700 . 3.600 3.414 3.138 3.614 0.014 3 0 "[ . 1 . 2]" 1
826 1 42 GLN QG 1 49 THR MG 2.800 . 3.800 3.794 3.668 3.866 0.066 1 0 "[ . 1 . 2]" 1
827 1 47 SER QB 1 49 THR MG 3.000 . 4.100 3.699 3.367 4.128 0.028 19 0 "[ . 1 . 2]" 1
828 1 20 THR MG 1 22 LYS HA 3.500 . 5.100 4.927 3.693 5.134 0.034 4 0 "[ . 1 . 2]" 1
829 1 31 THR MG 1 55 ASP HA 3.300 . 4.700 3.792 3.638 4.016 . 0 0 "[ . 1 . 2]" 1
830 1 31 THR MG 1 38 ILE MD 4.100 . 6.000 6.073 6.022 6.133 0.133 11 0 "[ . 1 . 2]" 1
831 1 31 THR MG 1 57 VAL HB 3.400 . 4.800 4.433 4.076 4.753 . 0 0 "[ . 1 . 2]" 1
832 1 20 THR MG 1 64 ASN HB2 3.700 . 5.400 5.465 5.420 5.509 0.109 1 0 "[ . 1 . 2]" 1
833 1 20 THR MG 1 24 TRP HE1 3.800 . 5.600 5.323 5.037 5.603 0.003 17 0 "[ . 1 . 2]" 1
834 1 31 THR MG 1 58 ILE MD 3.600 . 5.200 4.887 4.578 5.110 . 0 0 "[ . 1 . 2]" 1
835 1 31 THR MG 1 58 ILE HB 4.000 . 6.000 5.906 5.729 5.987 . 0 0 "[ . 1 . 2]" 1
836 1 31 THR HA 1 31 THR MG 2.200 . 2.800 2.300 2.139 2.390 . 0 0 "[ . 1 . 2]" 1
837 1 31 THR MG 1 33 SER HA 3.600 . 5.200 4.566 4.353 4.955 . 0 0 "[ . 1 . 2]" 1
838 1 3 GLN HA 1 4 VAL MG1 3.400 . 4.800 3.629 3.433 3.847 . 0 0 "[ . 1 . 2]" 1
839 1 4 VAL QG 1 60 LYS HE2 3.700 . 5.400 4.043 3.018 5.094 . 0 0 "[ . 1 . 2]" 1
840 1 4 VAL QG 1 5 VAL HA 3.400 . 4.900 3.983 3.852 4.188 . 0 0 "[ . 1 . 2]" 1
841 1 4 VAL MG2 1 6 GLN QB 3.500 . 5.100 4.411 4.150 4.735 . 0 0 "[ . 1 . 2]" 1
842 1 3 GLN QB 1 4 VAL QG 2.800 . 3.800 3.868 3.805 3.988 0.188 8 0 "[ . 1 . 2]" 1
843 1 20 THR MG 1 68 ILE MD 2.300 . 2.900 2.018 1.730 3.118 0.218 9 0 "[ . 1 . 2]" 1
844 1 20 THR MG 1 66 ASP HA 2.200 . 2.800 2.412 2.254 2.636 . 0 0 "[ . 1 . 2]" 1
845 1 20 THR MG 1 68 ILE HA 2.800 . 3.800 2.965 2.611 3.846 0.046 9 0 "[ . 1 . 2]" 1
846 1 20 THR MG 1 21 VAL HA 3.700 . 5.400 4.305 3.628 4.506 . 0 0 "[ . 1 . 2]" 1
847 1 31 THR HB 1 31 THR MG 2.200 . 2.800 2.129 2.116 2.134 . 0 0 "[ . 1 . 2]" 1
848 1 7 PHE QR 1 69 ALA MB 3.400 . 4.800 4.488 3.991 4.800 . 12 0 "[ . 1 . 2]" 1
849 1 9 LEU MD1 1 69 ALA MB 2.700 . 3.600 3.426 3.283 3.621 0.021 2 0 "[ . 1 . 2]" 1
850 1 38 ILE HA 1 58 ILE MG 3.600 . 5.200 5.263 5.180 5.320 0.120 11 0 "[ . 1 . 2]" 1
851 1 12 ILE MG 1 13 GLY QA 3.400 . 4.800 4.142 3.117 5.080 0.280 2 0 "[ . 1 . 2]" 1
852 1 37 SER QB 1 50 ILE MG 3.400 . 4.800 4.525 4.259 4.777 . 0 0 "[ . 1 . 2]" 1
853 1 24 TRP HZ3 1 38 ILE MG 2.900 . 4.000 1.907 1.779 2.136 0.021 19 0 "[ . 1 . 2]" 1
854 1 38 ILE MG 1 61 LEU MD1 3.100 . 4.300 3.695 2.384 4.157 . 0 0 "[ . 1 . 2]" 1
855 1 38 ILE MD 1 38 ILE MG 2.100 . 2.700 1.819 1.585 1.947 . 0 0 "[ . 1 . 2]" 1
856 1 38 ILE HB 1 38 ILE MG 2.100 . 2.700 2.117 2.090 2.134 . 0 0 "[ . 1 . 2]" 1
857 1 38 ILE MG 1 39 CYS QB 3.100 . 4.300 2.852 2.241 3.607 . 0 0 "[ . 1 . 2]" 1
858 1 38 ILE HA 1 38 ILE MG 2.500 . 3.300 2.397 2.319 2.504 . 0 0 "[ . 1 . 2]" 1
859 1 24 TRP HZ2 1 38 ILE MG 3.900 . 5.800 4.947 4.370 5.254 . 0 0 "[ . 1 . 2]" 1
860 1 12 ILE MG 1 16 ILE QG 2.900 . 3.900 2.634 1.796 3.221 0.104 19 0 "[ . 1 . 2]" 1
861 1 12 ILE MG 1 16 ILE HA 4.000 . 6.000 5.651 4.806 6.088 0.088 3 0 "[ . 1 . 2]" 1
862 1 9 LEU MD2 1 68 ILE MG 2.900 . 3.900 4.112 4.007 4.165 0.265 14 0 "[ . 1 . 2]" 1
863 1 12 ILE MD 1 18 GLU QG 3.400 . 4.800 4.435 3.236 4.819 0.019 15 0 "[ . 1 . 2]" 1
864 1 12 ILE MD 1 19 VAL HA 3.700 . 5.400 3.781 3.187 4.378 . 0 0 "[ . 1 . 2]" 1
865 1 9 LEU MD1 1 12 ILE MD 2.100 . 2.700 1.856 1.720 2.437 . 0 0 "[ . 1 . 2]" 1
866 1 12 ILE HA 1 16 ILE MD 2.600 . 3.500 3.009 1.889 3.521 0.021 10 0 "[ . 1 . 2]" 1
867 1 16 ILE MD 1 17 ARG HA 3.400 . 4.900 4.380 3.791 4.971 0.071 8 0 "[ . 1 . 2]" 1
868 1 18 GLU HB2 1 68 ILE MD 3.300 . 4.700 4.381 3.441 4.754 0.054 12 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 271
_Distance_constraint_stats_list.Viol_total 408.032
_Distance_constraint_stats_list.Viol_max 0.240
_Distance_constraint_stats_list.Viol_rms 0.0462
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0243
_Distance_constraint_stats_list.Viol_average_violations_only 0.0753
_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 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PHE 2.556 0.136 18 0 "[ . 1 . 2]"
1 19 VAL 4.865 0.199 19 0 "[ . 1 . 2]"
1 21 VAL 3.139 0.192 1 0 "[ . 1 . 2]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.034 0.017 10 0 "[ . 1 . 2]"
1 25 TYR 1.572 0.072 8 0 "[ . 1 . 2]"
1 30 ASP 3.226 0.240 12 0 "[ . 1 . 2]"
1 32 VAL 1.363 0.119 17 0 "[ . 1 . 2]"
1 38 ILE 2.780 0.133 19 0 "[ . 1 . 2]"
1 39 CYS 0.059 0.026 12 0 "[ . 1 . 2]"
1 40 GLU 0.034 0.017 10 0 "[ . 1 . 2]"
1 41 VAL 0.066 0.016 8 0 "[ . 1 . 2]"
1 48 VAL 0.066 0.016 8 0 "[ . 1 . 2]"
1 50 ILE 1.267 0.133 19 0 "[ . 1 . 2]"
1 56 GLY 1.363 0.119 17 0 "[ . 1 . 2]"
1 57 VAL 1.539 0.149 7 0 "[ . 1 . 2]"
1 58 ILE 3.226 0.240 12 0 "[ . 1 . 2]"
1 59 LYS 0.774 0.063 9 0 "[ . 1 . 2]"
1 67 ASP 3.139 0.192 1 0 "[ . 1 . 2]"
1 69 ALA 4.865 0.199 19 0 "[ . 1 . 2]"
1 75 LEU 0.058 0.057 12 0 "[ . 1 . 2]"
1 76 VAL 2.499 0.136 18 0 "[ . 1 . 2]"
1 77 ASP 0.774 0.063 9 0 "[ . 1 . 2]"
1 78 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLU 1.539 0.149 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 VAL O 1 69 ALA N 2.800 2.500 3.300 2.724 2.534 2.965 . 0 0 "[ . 1 . 2]" 2
2 1 19 VAL O 1 69 ALA H 1.800 . 2.300 1.774 1.579 1.996 . 0 0 "[ . 1 . 2]" 2
3 1 19 VAL N 1 69 ALA O 2.800 2.500 3.300 3.380 3.320 3.428 0.128 19 0 "[ . 1 . 2]" 2
4 1 19 VAL H 1 69 ALA O 1.800 . 2.300 2.463 2.416 2.499 0.199 19 0 "[ . 1 . 2]" 2
5 1 21 VAL N 1 67 ASP O 2.800 2.500 3.300 3.319 3.275 3.385 0.085 1 0 "[ . 1 . 2]" 2
6 1 21 VAL H 1 67 ASP O 1.800 . 2.300 2.437 2.408 2.492 0.192 1 0 "[ . 1 . 2]" 2
7 1 57 VAL O 1 79 GLU N 2.800 2.500 3.300 2.889 2.710 3.002 . 0 0 "[ . 1 . 2]" 2
8 1 57 VAL O 1 79 GLU H 1.800 . 2.300 2.027 1.852 2.123 . 0 0 "[ . 1 . 2]" 2
9 1 57 VAL N 1 79 GLU O 2.800 2.500 3.300 3.156 3.068 3.217 . 0 0 "[ . 1 . 2]" 2
10 1 57 VAL H 1 79 GLU O 1.800 . 2.300 2.376 2.280 2.449 0.149 7 0 "[ . 1 . 2]" 2
11 1 59 LYS N 1 77 ASP O 2.800 2.500 3.300 3.281 3.172 3.323 0.023 6 0 "[ . 1 . 2]" 2
12 1 59 LYS H 1 77 ASP O 1.800 . 2.300 2.321 2.208 2.363 0.063 9 0 "[ . 1 . 2]" 2
13 1 5 VAL O 1 78 ILE N 2.800 2.500 3.300 2.769 2.523 3.114 . 0 0 "[ . 1 . 2]" 2
14 1 5 VAL O 1 78 ILE H 1.800 . 2.300 1.839 1.593 2.184 . 0 0 "[ . 1 . 2]" 2
15 1 32 VAL O 1 56 GLY N 2.800 2.500 3.300 3.114 3.035 3.222 . 0 0 "[ . 1 . 2]" 2
16 1 32 VAL O 1 56 GLY H 1.800 . 2.300 2.368 2.335 2.419 0.119 17 0 "[ . 1 . 2]" 2
17 1 32 VAL N 1 56 GLY O 2.800 2.500 3.300 2.526 2.501 2.558 . 0 0 "[ . 1 . 2]" 2
18 1 32 VAL H 1 56 GLY O 1.800 . 2.300 1.570 1.551 1.608 . 0 0 "[ . 1 . 2]" 2
19 1 41 VAL O 1 48 VAL N 2.800 2.500 3.300 2.846 2.557 3.114 . 0 0 "[ . 1 . 2]" 2
20 1 41 VAL O 1 48 VAL H 1.800 . 2.300 1.987 1.693 2.224 . 0 0 "[ . 1 . 2]" 2
21 1 41 VAL N 1 48 VAL O 2.800 2.500 3.300 2.961 2.654 3.233 . 0 0 "[ . 1 . 2]" 2
22 1 41 VAL H 1 48 VAL O 1.800 . 2.300 2.184 1.751 2.316 0.016 8 0 "[ . 1 . 2]" 2
23 1 39 CYS O 1 50 ILE N 2.800 2.500 3.300 2.999 2.802 3.120 . 0 0 "[ . 1 . 2]" 2
24 1 39 CYS O 1 50 ILE H 1.800 . 2.300 2.171 1.945 2.326 0.026 12 0 "[ . 1 . 2]" 2
25 1 23 GLU N 1 40 GLU O 2.800 2.500 3.300 3.048 2.844 3.243 . 0 0 "[ . 1 . 2]" 2
26 1 23 GLU H 1 40 GLU O 1.800 . 2.300 2.112 1.941 2.288 . 0 0 "[ . 1 . 2]" 2
27 1 23 GLU O 1 40 GLU N 2.800 2.500 3.300 2.925 2.742 3.145 . 0 0 "[ . 1 . 2]" 2
28 1 23 GLU O 1 40 GLU H 1.800 . 2.300 2.176 1.957 2.317 0.017 10 0 "[ . 1 . 2]" 2
29 1 30 ASP O 1 58 ILE N 2.800 2.500 3.300 2.545 2.501 2.625 . 0 0 "[ . 1 . 2]" 2
30 1 30 ASP O 1 58 ILE H 1.800 . 2.300 1.662 1.625 1.735 . 0 0 "[ . 1 . 2]" 2
31 1 30 ASP N 1 58 ILE O 2.800 2.500 3.300 2.784 2.690 2.884 . 0 0 "[ . 1 . 2]" 2
32 1 30 ASP H 1 58 ILE O 1.800 . 2.300 2.461 2.426 2.540 0.240 12 0 "[ . 1 . 2]" 2
33 1 7 PHE O 1 76 VAL N 2.800 2.500 3.300 3.334 3.291 3.396 0.096 18 0 "[ . 1 . 2]" 2
34 1 7 PHE O 1 76 VAL H 1.800 . 2.300 2.390 2.355 2.436 0.136 18 0 "[ . 1 . 2]" 2
35 1 22 LYS N 1 40 GLU O 2.800 2.500 3.300 2.556 2.511 2.807 . 0 0 "[ . 1 . 2]" 2
36 1 22 LYS H 1 40 GLU O 1.800 . 2.300 1.677 1.581 1.908 . 0 0 "[ . 1 . 2]" 2
37 1 25 TYR N 1 38 ILE O 2.800 2.500 3.300 3.322 3.277 3.344 0.044 8 0 "[ . 1 . 2]" 2
38 1 25 TYR H 1 38 ILE O 1.800 . 2.300 2.355 2.326 2.372 0.072 8 0 "[ . 1 . 2]" 2
39 1 38 ILE N 1 50 ILE O 2.800 2.500 3.300 3.208 2.936 3.307 0.007 10 0 "[ . 1 . 2]" 2
40 1 38 ILE H 1 50 ILE O 1.800 . 2.300 2.354 2.182 2.433 0.133 19 0 "[ . 1 . 2]" 2
41 1 7 PHE O 1 75 LEU N 2.800 2.500 3.300 2.748 2.499 3.141 0.001 6 0 "[ . 1 . 2]" 2
42 1 7 PHE O 1 75 LEU H 1.800 . 2.300 1.841 1.626 2.357 0.057 12 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, June 23, 2024 6:31:50 PM GMT (wattos1)